USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 663 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 21 LYS NZ :NH3+ -169:sc= 2.15 (180deg=1.17) USER MOD Set 1.2: A 25 THR OG1 : rot 89:sc= 2.24 USER MOD Set 1.3: A 31 TYR OH : rot -170:sc= 1.4 USER MOD Single : A 1 MET CE :methyl 167:sc= -0.0213 (180deg=-0.271) USER MOD Single : A 1 MET N :NH3+ 169:sc= 1.39 (180deg=0.95) USER MOD Single : A 3 THR OG1 : rot 180:sc=-0.00699 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -101:sc= 0.469 USER MOD Single : A 10 THR OG1 : rot 110:sc= -2.06! USER MOD Single : A 11 THR OG1 : rot -100:sc= 0.659 USER MOD Single : A 12 SER OG : rot 74:sc= 1.23 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 67:sc= 1.05 USER MOD Single : A 27 ASN : amide:sc= 1.21 K(o=1.2,f=-0.0053) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.688 F(o=-1.8!,f=-0.69) USER MOD Single : A 48 SER OG : rot 86:sc= 1.33 USER MOD Single : A 50 ASN : amide:sc= 0.0615 K(o=0.061,f=-5.8!) USER MOD Single : A 53 ASN : amide:sc= -0.0891 K(o=-0.089,f=-3!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 115:sc= 0.2 USER MOD Single : A 60 LYS NZ :NH3+ 171:sc= -0.404 (180deg=-0.559) USER MOD Single : A 65 SER OG : rot -150:sc= -0.798 USER MOD Single : A 66 THR OG1 : rot -150:sc= 0.00564 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.343 K(o=-0.34,f=-3.2!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 148:sc= 1.26 (180deg=-0.0791) USER MOD Single : A 81 LYS NZ :NH3+ -136:sc= 0.94 (180deg=-0.0482) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.590 2.587 12.407 1.00 0.00 N ATOM 2 CA MET A 1 14.025 1.700 11.337 1.00 0.00 C ATOM 3 C MET A 1 12.881 1.409 10.382 1.00 0.00 C ATOM 4 O MET A 1 12.802 1.993 9.307 1.00 0.00 O ATOM 5 CB MET A 1 14.647 0.399 11.877 1.00 0.00 C ATOM 6 CG MET A 1 15.997 0.575 12.575 1.00 0.00 C ATOM 7 SD MET A 1 15.933 1.551 14.101 1.00 0.00 S ATOM 8 CE MET A 1 14.947 0.489 15.161 1.00 0.00 C ATOM 0 H1 MET A 1 14.322 2.626 13.145 1.00 0.00 H new ATOM 0 H2 MET A 1 13.433 3.541 12.025 1.00 0.00 H new ATOM 0 H3 MET A 1 12.704 2.228 12.817 1.00 0.00 H new ATOM 0 HA MET A 1 14.809 2.217 10.785 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.948 -0.058 12.578 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.770 -0.299 11.049 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.404 -0.410 12.805 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.690 1.052 11.882 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.015 0.839 16.191 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.907 0.515 14.836 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.320 -0.533 15.100 1.00 0.00 H new ATOM 20 N VAL A 2 11.970 0.540 10.761 1.00 0.00 N ATOM 21 CA VAL A 2 10.870 0.217 9.887 1.00 0.00 C ATOM 22 C VAL A 2 9.532 0.634 10.503 1.00 0.00 C ATOM 23 O VAL A 2 8.965 -0.045 11.368 1.00 0.00 O ATOM 24 CB VAL A 2 10.889 -1.278 9.401 1.00 0.00 C ATOM 25 CG1 VAL A 2 10.908 -2.263 10.559 1.00 0.00 C ATOM 26 CG2 VAL A 2 9.731 -1.570 8.450 1.00 0.00 C ATOM 0 H VAL A 2 11.970 0.051 11.656 1.00 0.00 H new ATOM 0 HA VAL A 2 10.998 0.807 8.979 1.00 0.00 H new ATOM 0 HB VAL A 2 11.820 -1.415 8.851 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.921 -3.281 10.170 1.00 0.00 H new ATOM 0 HG12 VAL A 2 11.798 -2.095 11.165 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.019 -2.120 11.173 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.774 -2.612 8.133 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.786 -1.385 8.960 1.00 0.00 H new ATOM 0 HG23 VAL A 2 9.805 -0.922 7.577 1.00 0.00 H new ATOM 36 N THR A 3 9.068 1.773 10.072 1.00 0.00 N ATOM 37 CA THR A 3 7.843 2.348 10.545 1.00 0.00 C ATOM 38 C THR A 3 6.803 2.259 9.412 1.00 0.00 C ATOM 39 O THR A 3 7.149 1.849 8.286 1.00 0.00 O ATOM 40 CB THR A 3 8.088 3.838 10.975 1.00 0.00 C ATOM 41 OG1 THR A 3 6.922 4.397 11.575 1.00 0.00 O ATOM 42 CG2 THR A 3 8.507 4.702 9.783 1.00 0.00 C ATOM 0 H THR A 3 9.542 2.338 9.367 1.00 0.00 H new ATOM 0 HA THR A 3 7.473 1.808 11.417 1.00 0.00 H new ATOM 0 HB THR A 3 8.897 3.829 11.705 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.101 5.325 11.835 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.668 5.727 10.116 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.430 4.310 9.356 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.721 4.685 9.028 1.00 0.00 H new ATOM 50 N ALA A 4 5.561 2.621 9.688 1.00 0.00 N ATOM 51 CA ALA A 4 4.515 2.573 8.685 1.00 0.00 C ATOM 52 C ALA A 4 4.664 3.731 7.709 1.00 0.00 C ATOM 53 O ALA A 4 4.152 4.825 7.927 1.00 0.00 O ATOM 54 CB ALA A 4 3.134 2.566 9.326 1.00 0.00 C ATOM 0 H ALA A 4 5.254 2.952 10.602 1.00 0.00 H new ATOM 0 HA ALA A 4 4.619 1.641 8.129 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.372 2.530 8.548 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.036 1.692 9.970 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.004 3.471 9.919 1.00 0.00 H new ATOM 60 N ALA A 5 5.419 3.497 6.669 1.00 0.00 N ATOM 61 CA ALA A 5 5.682 4.514 5.672 1.00 0.00 C ATOM 62 C ALA A 5 4.739 4.371 4.498 1.00 0.00 C ATOM 63 O ALA A 5 4.799 5.142 3.532 1.00 0.00 O ATOM 64 CB ALA A 5 7.130 4.435 5.211 1.00 0.00 C ATOM 0 H ALA A 5 5.870 2.601 6.484 1.00 0.00 H new ATOM 0 HA ALA A 5 5.513 5.492 6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.316 5.204 4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.792 4.591 6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.321 3.453 4.778 1.00 0.00 H new ATOM 70 N LEU A 6 3.864 3.397 4.580 1.00 0.00 N ATOM 71 CA LEU A 6 2.917 3.139 3.525 1.00 0.00 C ATOM 72 C LEU A 6 1.528 3.273 4.045 1.00 0.00 C ATOM 73 O LEU A 6 1.227 2.826 5.145 1.00 0.00 O ATOM 74 CB LEU A 6 3.065 1.724 2.979 1.00 0.00 C ATOM 75 CG LEU A 6 4.425 1.323 2.460 1.00 0.00 C ATOM 76 CD1 LEU A 6 4.353 -0.047 1.842 1.00 0.00 C ATOM 77 CD2 LEU A 6 4.936 2.322 1.465 1.00 0.00 C ATOM 0 H LEU A 6 3.790 2.764 5.377 1.00 0.00 H new ATOM 0 HA LEU A 6 3.112 3.862 2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.786 1.026 3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.344 1.597 2.171 1.00 0.00 H new ATOM 0 HG LEU A 6 5.122 1.299 3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.337 -0.330 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.028 -0.768 2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.642 -0.037 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.917 2.010 1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.245 2.384 0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.018 3.300 1.940 1.00 0.00 H new ATOM 89 N THR A 7 0.695 3.879 3.286 1.00 0.00 N ATOM 90 CA THR A 7 -0.684 3.968 3.616 1.00 0.00 C ATOM 91 C THR A 7 -1.435 3.027 2.681 1.00 0.00 C ATOM 92 O THR A 7 -1.425 3.224 1.465 1.00 0.00 O ATOM 93 CB THR A 7 -1.166 5.407 3.439 1.00 0.00 C ATOM 94 OG1 THR A 7 -0.248 6.265 4.128 1.00 0.00 O ATOM 95 CG2 THR A 7 -2.553 5.592 4.029 1.00 0.00 C ATOM 0 H THR A 7 0.949 4.333 2.409 1.00 0.00 H new ATOM 0 HA THR A 7 -0.859 3.685 4.654 1.00 0.00 H new ATOM 0 HB THR A 7 -1.212 5.646 2.376 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.534 7.197 4.029 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.873 6.625 3.890 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.254 4.924 3.528 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.529 5.360 5.094 1.00 0.00 H new ATOM 103 N ILE A 8 -2.016 1.994 3.229 1.00 0.00 N ATOM 104 CA ILE A 8 -2.704 1.009 2.440 1.00 0.00 C ATOM 105 C ILE A 8 -4.175 1.068 2.712 1.00 0.00 C ATOM 106 O ILE A 8 -4.620 1.015 3.861 1.00 0.00 O ATOM 107 CB ILE A 8 -2.159 -0.431 2.671 1.00 0.00 C ATOM 108 CG1 ILE A 8 -0.723 -0.532 2.148 1.00 0.00 C ATOM 109 CG2 ILE A 8 -3.059 -1.493 2.022 1.00 0.00 C ATOM 110 CD1 ILE A 8 -0.116 -1.903 2.273 1.00 0.00 C ATOM 0 H ILE A 8 -2.026 1.812 4.233 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.521 1.248 1.392 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.161 -0.628 3.743 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.708 -0.235 1.099 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.100 0.180 2.690 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.644 -2.484 2.206 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.059 -1.433 2.451 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.114 -1.317 0.948 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.901 -1.888 1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.095 -2.197 3.322 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.713 -2.618 1.707 1.00 0.00 H new ATOM 122 N TYR A 9 -4.914 1.209 1.670 1.00 0.00 N ATOM 123 CA TYR A 9 -6.326 1.275 1.762 1.00 0.00 C ATOM 124 C TYR A 9 -6.907 -0.131 1.882 1.00 0.00 C ATOM 125 O TYR A 9 -6.550 -1.020 1.113 1.00 0.00 O ATOM 126 CB TYR A 9 -6.881 2.092 0.593 1.00 0.00 C ATOM 127 CG TYR A 9 -6.405 3.547 0.632 1.00 0.00 C ATOM 128 CD1 TYR A 9 -7.057 4.489 1.413 1.00 0.00 C ATOM 129 CD2 TYR A 9 -5.286 3.963 -0.081 1.00 0.00 C ATOM 130 CE1 TYR A 9 -6.616 5.801 1.481 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.833 5.267 -0.014 1.00 0.00 C ATOM 132 CZ TYR A 9 -5.503 6.183 0.768 1.00 0.00 C ATOM 133 OH TYR A 9 -5.049 7.480 0.845 1.00 0.00 O ATOM 0 H TYR A 9 -4.550 1.282 0.720 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.632 1.799 2.668 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.573 1.635 -0.347 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.970 2.066 0.618 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.927 4.194 1.981 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.760 3.252 -0.700 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -7.143 6.520 2.091 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.958 5.567 -0.572 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.342 7.977 0.053 1.00 0.00 H new ATOM 143 N THR A 10 -7.746 -0.335 2.892 1.00 0.00 N ATOM 144 CA THR A 10 -8.292 -1.645 3.219 1.00 0.00 C ATOM 145 C THR A 10 -9.767 -1.558 3.640 1.00 0.00 C ATOM 146 O THR A 10 -10.346 -0.477 3.678 1.00 0.00 O ATOM 147 CB THR A 10 -7.484 -2.268 4.367 1.00 0.00 C ATOM 148 OG1 THR A 10 -7.231 -1.258 5.361 1.00 0.00 O ATOM 149 CG2 THR A 10 -6.171 -2.855 3.878 1.00 0.00 C ATOM 0 H THR A 10 -8.068 0.410 3.510 1.00 0.00 H new ATOM 0 HA THR A 10 -8.226 -2.263 2.324 1.00 0.00 H new ATOM 0 HB THR A 10 -8.066 -3.084 4.796 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.756 -1.452 6.165 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.629 -3.286 4.720 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.372 -3.632 3.140 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.568 -2.069 3.423 1.00 0.00 H new ATOM 157 N THR A 11 -10.368 -2.702 3.922 1.00 0.00 N ATOM 158 CA THR A 11 -11.742 -2.812 4.376 1.00 0.00 C ATOM 159 C THR A 11 -11.842 -4.163 5.141 1.00 0.00 C ATOM 160 O THR A 11 -10.951 -5.011 4.959 1.00 0.00 O ATOM 161 CB THR A 11 -12.726 -2.802 3.138 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.445 -1.665 2.297 1.00 0.00 O ATOM 163 CG2 THR A 11 -14.153 -2.670 3.593 1.00 0.00 C ATOM 0 H THR A 11 -9.899 -3.604 3.839 1.00 0.00 H new ATOM 0 HA THR A 11 -12.019 -1.976 5.018 1.00 0.00 H new ATOM 0 HB THR A 11 -12.584 -3.738 2.598 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.093 -0.954 2.481 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.813 -2.665 2.725 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.408 -3.511 4.238 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.274 -1.738 4.146 1.00 0.00 H new ATOM 171 N SER A 12 -12.845 -4.343 6.028 1.00 0.00 N ATOM 172 CA SER A 12 -13.046 -5.635 6.698 1.00 0.00 C ATOM 173 C SER A 12 -13.415 -6.637 5.615 1.00 0.00 C ATOM 174 O SER A 12 -12.808 -7.698 5.486 1.00 0.00 O ATOM 175 CB SER A 12 -14.168 -5.530 7.743 1.00 0.00 C ATOM 176 OG SER A 12 -13.952 -4.417 8.612 1.00 0.00 O ATOM 0 H SER A 12 -13.515 -3.620 6.290 1.00 0.00 H new ATOM 0 HA SER A 12 -12.144 -5.947 7.225 1.00 0.00 H new ATOM 0 HB2 SER A 12 -15.129 -5.423 7.241 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.214 -6.449 8.327 1.00 0.00 H new ATOM 0 HG SER A 12 -14.157 -3.585 8.136 1.00 0.00 H new ATOM 182 N TRP A 13 -14.410 -6.259 4.826 1.00 0.00 N ATOM 183 CA TRP A 13 -14.738 -6.936 3.612 1.00 0.00 C ATOM 184 C TRP A 13 -13.525 -6.749 2.678 1.00 0.00 C ATOM 185 O TRP A 13 -13.212 -5.640 2.227 1.00 0.00 O ATOM 186 CB TRP A 13 -16.123 -6.398 3.085 1.00 0.00 C ATOM 187 CG TRP A 13 -16.124 -5.928 1.704 1.00 0.00 C ATOM 188 CD1 TRP A 13 -15.755 -6.640 0.636 1.00 0.00 C ATOM 189 CD2 TRP A 13 -16.542 -4.651 1.221 1.00 0.00 C ATOM 190 NE1 TRP A 13 -15.776 -5.884 -0.444 1.00 0.00 N ATOM 191 CE2 TRP A 13 -16.302 -4.656 -0.145 1.00 0.00 C ATOM 192 CE3 TRP A 13 -17.070 -3.498 1.815 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -16.561 -3.554 -0.954 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -17.341 -2.407 1.015 1.00 0.00 C ATOM 195 CH2 TRP A 13 -17.084 -2.441 -0.358 1.00 0.00 C ATOM 0 H TRP A 13 -15.012 -5.460 5.027 1.00 0.00 H new ATOM 0 HA TRP A 13 -14.896 -8.010 3.715 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -16.863 -7.192 3.182 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -16.446 -5.581 3.730 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -15.479 -7.684 0.654 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -15.449 -6.172 -1.366 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -17.261 -3.463 2.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -16.356 -3.577 -2.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -17.758 -1.514 1.456 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -17.303 -1.571 -0.960 1.00 0.00 H new ATOM 206 N CYS A 14 -12.810 -7.821 2.465 1.00 0.00 N ATOM 207 CA CYS A 14 -11.550 -7.758 1.782 1.00 0.00 C ATOM 208 C CYS A 14 -11.178 -9.123 1.226 1.00 0.00 C ATOM 209 O CYS A 14 -11.252 -10.136 1.940 1.00 0.00 O ATOM 210 CB CYS A 14 -10.482 -7.261 2.783 1.00 0.00 C ATOM 211 SG CYS A 14 -8.799 -7.187 2.163 1.00 0.00 S ATOM 0 H CYS A 14 -13.085 -8.758 2.759 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.614 -7.069 0.940 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.767 -6.266 3.124 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.499 -7.914 3.656 1.00 0.00 H new ATOM 216 N GLY A 15 -10.809 -9.153 -0.042 1.00 0.00 N ATOM 217 CA GLY A 15 -10.413 -10.383 -0.673 1.00 0.00 C ATOM 218 C GLY A 15 -9.001 -10.299 -1.207 1.00 0.00 C ATOM 219 O GLY A 15 -8.052 -10.752 -0.560 1.00 0.00 O ATOM 0 H GLY A 15 -10.778 -8.334 -0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.484 -11.201 0.044 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.099 -10.613 -1.488 1.00 0.00 H new ATOM 223 N TYR A 16 -8.850 -9.653 -2.354 1.00 0.00 N ATOM 224 CA TYR A 16 -7.552 -9.534 -3.015 1.00 0.00 C ATOM 225 C TYR A 16 -6.603 -8.670 -2.176 1.00 0.00 C ATOM 226 O TYR A 16 -5.388 -8.921 -2.126 1.00 0.00 O ATOM 227 CB TYR A 16 -7.719 -8.953 -4.437 1.00 0.00 C ATOM 228 CG TYR A 16 -6.434 -8.901 -5.254 1.00 0.00 C ATOM 229 CD1 TYR A 16 -6.022 -9.987 -6.002 1.00 0.00 C ATOM 230 CD2 TYR A 16 -5.641 -7.765 -5.270 1.00 0.00 C ATOM 231 CE1 TYR A 16 -4.858 -9.948 -6.735 1.00 0.00 C ATOM 232 CE2 TYR A 16 -4.471 -7.710 -6.003 1.00 0.00 C ATOM 233 CZ TYR A 16 -4.083 -8.807 -6.735 1.00 0.00 C ATOM 234 OH TYR A 16 -2.899 -8.780 -7.455 1.00 0.00 O ATOM 0 H TYR A 16 -9.615 -9.199 -2.852 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.115 -10.528 -3.107 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.453 -9.551 -4.976 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.125 -7.945 -4.358 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.625 -10.883 -6.012 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.945 -6.902 -4.696 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.552 -10.810 -7.310 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -3.868 -6.814 -6.001 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.473 -7.903 -7.352 1.00 0.00 H new ATOM 244 N CYS A 17 -7.167 -7.680 -1.500 1.00 0.00 N ATOM 245 CA CYS A 17 -6.408 -6.798 -0.618 1.00 0.00 C ATOM 246 C CYS A 17 -5.676 -7.576 0.479 1.00 0.00 C ATOM 247 O CYS A 17 -4.521 -7.295 0.778 1.00 0.00 O ATOM 248 CB CYS A 17 -7.334 -5.736 0.003 1.00 0.00 C ATOM 249 SG CYS A 17 -8.999 -6.329 0.361 1.00 0.00 S ATOM 0 H CYS A 17 -8.163 -7.463 -1.546 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.651 -6.301 -1.225 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.883 -5.372 0.926 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.401 -4.886 -0.676 1.00 0.00 H new ATOM 254 N LEU A 18 -6.334 -8.603 1.001 1.00 0.00 N ATOM 255 CA LEU A 18 -5.836 -9.400 2.119 1.00 0.00 C ATOM 256 C LEU A 18 -4.609 -10.198 1.685 1.00 0.00 C ATOM 257 O LEU A 18 -3.651 -10.369 2.461 1.00 0.00 O ATOM 258 CB LEU A 18 -6.997 -10.312 2.640 1.00 0.00 C ATOM 259 CG LEU A 18 -6.822 -11.094 3.975 1.00 0.00 C ATOM 260 CD1 LEU A 18 -5.861 -12.265 3.857 1.00 0.00 C ATOM 261 CD2 LEU A 18 -6.392 -10.158 5.097 1.00 0.00 C ATOM 0 H LEU A 18 -7.243 -8.912 0.656 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.517 -8.759 2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.883 -9.685 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.213 -11.042 1.860 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.798 -11.515 4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.782 -12.769 4.820 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.232 -12.966 3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.879 -11.901 3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.276 -10.726 6.020 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.442 -9.690 4.837 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.150 -9.387 5.238 1.00 0.00 H new ATOM 273 N ARG A 19 -4.619 -10.636 0.441 1.00 0.00 N ATOM 274 CA ARG A 19 -3.524 -11.411 -0.116 1.00 0.00 C ATOM 275 C ARG A 19 -2.244 -10.587 -0.118 1.00 0.00 C ATOM 276 O ARG A 19 -1.207 -11.018 0.410 1.00 0.00 O ATOM 277 CB ARG A 19 -3.859 -11.862 -1.539 1.00 0.00 C ATOM 278 CG ARG A 19 -2.775 -12.710 -2.192 1.00 0.00 C ATOM 279 CD ARG A 19 -3.138 -13.057 -3.620 1.00 0.00 C ATOM 280 NE ARG A 19 -4.407 -13.783 -3.702 1.00 0.00 N ATOM 281 CZ ARG A 19 -5.113 -13.989 -4.815 1.00 0.00 C ATOM 282 NH1 ARG A 19 -4.682 -13.507 -5.983 1.00 0.00 N ATOM 283 NH2 ARG A 19 -6.250 -14.676 -4.755 1.00 0.00 N ATOM 0 H ARG A 19 -5.384 -10.466 -0.212 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.375 -12.294 0.505 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.788 -12.431 -1.519 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.038 -10.981 -2.156 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.828 -12.170 -2.175 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.630 -13.625 -1.618 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.205 -12.143 -4.210 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.345 -13.662 -4.059 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.783 -14.164 -2.834 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.810 -12.979 -6.026 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.224 -13.667 -6.832 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.578 -15.042 -3.861 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.794 -14.837 -5.603 1.00 0.00 H new ATOM 297 N LEU A 20 -2.327 -9.391 -0.668 1.00 0.00 N ATOM 298 CA LEU A 20 -1.165 -8.516 -0.747 1.00 0.00 C ATOM 299 C LEU A 20 -0.766 -8.049 0.648 1.00 0.00 C ATOM 300 O LEU A 20 0.411 -7.984 0.980 1.00 0.00 O ATOM 301 CB LEU A 20 -1.452 -7.308 -1.647 1.00 0.00 C ATOM 302 CG LEU A 20 -0.361 -6.215 -1.753 1.00 0.00 C ATOM 303 CD1 LEU A 20 0.846 -6.630 -2.603 1.00 0.00 C ATOM 304 CD2 LEU A 20 -0.960 -4.927 -2.254 1.00 0.00 C ATOM 0 H LEU A 20 -3.181 -9.001 -1.066 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.340 -9.079 -1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.654 -7.679 -2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.367 -6.835 -1.292 1.00 0.00 H new ATOM 0 HG LEU A 20 0.027 -6.065 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.568 -5.814 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.313 -7.513 -2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.516 -6.858 -3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.182 -4.167 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.399 -5.089 -3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.733 -4.592 -1.563 1.00 0.00 H new ATOM 316 N LYS A 21 -1.768 -7.775 1.459 1.00 0.00 N ATOM 317 CA LYS A 21 -1.590 -7.292 2.814 1.00 0.00 C ATOM 318 C LYS A 21 -0.775 -8.298 3.645 1.00 0.00 C ATOM 319 O LYS A 21 0.159 -7.920 4.359 1.00 0.00 O ATOM 320 CB LYS A 21 -2.969 -7.052 3.429 1.00 0.00 C ATOM 321 CG LYS A 21 -2.977 -6.284 4.717 1.00 0.00 C ATOM 322 CD LYS A 21 -4.395 -6.026 5.178 1.00 0.00 C ATOM 323 CE LYS A 21 -4.442 -5.127 6.400 1.00 0.00 C ATOM 324 NZ LYS A 21 -3.781 -5.719 7.584 1.00 0.00 N ATOM 0 H LYS A 21 -2.746 -7.884 1.190 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.032 -6.356 2.805 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.583 -6.518 2.704 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.445 -8.018 3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.437 -6.842 5.482 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.455 -5.337 4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.961 -5.566 4.368 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.880 -6.975 5.407 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.964 -4.176 6.162 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.482 -4.909 6.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.004 -5.151 8.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.122 -6.692 7.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.751 -5.730 7.437 1.00 0.00 H new ATOM 338 N THR A 22 -1.100 -9.572 3.509 1.00 0.00 N ATOM 339 CA THR A 22 -0.386 -10.619 4.218 1.00 0.00 C ATOM 340 C THR A 22 1.054 -10.753 3.668 1.00 0.00 C ATOM 341 O THR A 22 2.006 -10.915 4.427 1.00 0.00 O ATOM 342 CB THR A 22 -1.143 -11.970 4.108 1.00 0.00 C ATOM 343 OG1 THR A 22 -2.509 -11.779 4.543 1.00 0.00 O ATOM 344 CG2 THR A 22 -0.488 -13.038 4.981 1.00 0.00 C ATOM 0 H THR A 22 -1.856 -9.907 2.912 1.00 0.00 H new ATOM 0 HA THR A 22 -0.330 -10.347 5.272 1.00 0.00 H new ATOM 0 HB THR A 22 -1.112 -12.303 3.071 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.977 -11.198 3.907 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.038 -13.974 4.885 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.543 -13.188 4.660 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.500 -12.715 6.022 1.00 0.00 H new ATOM 352 N ALA A 23 1.198 -10.600 2.354 1.00 0.00 N ATOM 353 CA ALA A 23 2.498 -10.693 1.689 1.00 0.00 C ATOM 354 C ALA A 23 3.424 -9.596 2.161 1.00 0.00 C ATOM 355 O ALA A 23 4.598 -9.838 2.426 1.00 0.00 O ATOM 356 CB ALA A 23 2.328 -10.630 0.181 1.00 0.00 C ATOM 0 H ALA A 23 0.421 -10.409 1.721 1.00 0.00 H new ATOM 0 HA ALA A 23 2.945 -11.652 1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.304 -10.700 -0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.701 -11.458 -0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.857 -9.686 -0.093 1.00 0.00 H new ATOM 362 N LEU A 24 2.898 -8.407 2.293 1.00 0.00 N ATOM 363 CA LEU A 24 3.685 -7.281 2.741 1.00 0.00 C ATOM 364 C LEU A 24 4.087 -7.454 4.199 1.00 0.00 C ATOM 365 O LEU A 24 5.232 -7.198 4.565 1.00 0.00 O ATOM 366 CB LEU A 24 2.930 -5.974 2.509 1.00 0.00 C ATOM 367 CG LEU A 24 2.543 -5.694 1.051 1.00 0.00 C ATOM 368 CD1 LEU A 24 1.855 -4.363 0.921 1.00 0.00 C ATOM 369 CD2 LEU A 24 3.747 -5.754 0.137 1.00 0.00 C ATOM 0 H LEU A 24 1.921 -8.189 2.096 1.00 0.00 H new ATOM 0 HA LEU A 24 4.602 -7.237 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.023 -5.985 3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.544 -5.149 2.870 1.00 0.00 H new ATOM 0 HG LEU A 24 1.847 -6.475 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.592 -4.190 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.950 -4.360 1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.524 -3.573 1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.436 -5.551 -0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.478 -5.008 0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.195 -6.746 0.190 1.00 0.00 H new ATOM 381 N THR A 25 3.173 -7.965 5.000 1.00 0.00 N ATOM 382 CA THR A 25 3.431 -8.218 6.409 1.00 0.00 C ATOM 383 C THR A 25 4.517 -9.322 6.561 1.00 0.00 C ATOM 384 O THR A 25 5.385 -9.259 7.446 1.00 0.00 O ATOM 385 CB THR A 25 2.123 -8.636 7.132 1.00 0.00 C ATOM 386 OG1 THR A 25 1.100 -7.654 6.866 1.00 0.00 O ATOM 387 CG2 THR A 25 2.338 -8.715 8.635 1.00 0.00 C ATOM 0 H THR A 25 2.232 -8.217 4.696 1.00 0.00 H new ATOM 0 HA THR A 25 3.798 -7.301 6.870 1.00 0.00 H new ATOM 0 HB THR A 25 1.823 -9.616 6.763 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.617 -7.897 6.049 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.408 -9.010 9.121 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.111 -9.452 8.854 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.650 -7.740 9.010 1.00 0.00 H new ATOM 395 N ALA A 26 4.490 -10.297 5.660 1.00 0.00 N ATOM 396 CA ALA A 26 5.472 -11.379 5.637 1.00 0.00 C ATOM 397 C ALA A 26 6.834 -10.879 5.155 1.00 0.00 C ATOM 398 O ALA A 26 7.868 -11.420 5.506 1.00 0.00 O ATOM 399 CB ALA A 26 4.986 -12.509 4.748 1.00 0.00 C ATOM 0 H ALA A 26 3.787 -10.361 4.924 1.00 0.00 H new ATOM 0 HA ALA A 26 5.589 -11.750 6.655 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.726 -13.309 4.739 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.041 -12.893 5.132 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.841 -12.137 3.734 1.00 0.00 H new ATOM 405 N ASN A 27 6.815 -9.829 4.377 1.00 0.00 N ATOM 406 CA ASN A 27 8.027 -9.228 3.816 1.00 0.00 C ATOM 407 C ASN A 27 8.563 -8.092 4.698 1.00 0.00 C ATOM 408 O ASN A 27 9.457 -7.342 4.286 1.00 0.00 O ATOM 409 CB ASN A 27 7.753 -8.723 2.385 1.00 0.00 C ATOM 410 CG ASN A 27 7.933 -9.781 1.303 1.00 0.00 C ATOM 411 OD1 ASN A 27 9.025 -9.947 0.743 1.00 0.00 O ATOM 412 ND2 ASN A 27 6.882 -10.484 0.983 1.00 0.00 N ATOM 0 H ASN A 27 5.956 -9.352 4.104 1.00 0.00 H new ATOM 0 HA ASN A 27 8.797 -9.999 3.781 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.734 -8.340 2.336 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.419 -7.886 2.173 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.946 -11.194 0.253 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.996 -10.324 1.463 1.00 0.00 H new ATOM 419 N ARG A 28 8.011 -7.989 5.921 1.00 0.00 N ATOM 420 CA ARG A 28 8.400 -6.966 6.935 1.00 0.00 C ATOM 421 C ARG A 28 8.073 -5.553 6.486 1.00 0.00 C ATOM 422 O ARG A 28 8.673 -4.584 6.956 1.00 0.00 O ATOM 423 CB ARG A 28 9.884 -7.034 7.312 1.00 0.00 C ATOM 424 CG ARG A 28 10.327 -8.286 8.029 1.00 0.00 C ATOM 425 CD ARG A 28 11.736 -8.097 8.551 1.00 0.00 C ATOM 426 NE ARG A 28 11.791 -6.976 9.514 1.00 0.00 N ATOM 427 CZ ARG A 28 12.805 -6.105 9.664 1.00 0.00 C ATOM 428 NH1 ARG A 28 13.924 -6.231 8.942 1.00 0.00 N ATOM 429 NH2 ARG A 28 12.699 -5.118 10.556 1.00 0.00 N ATOM 0 H ARG A 28 7.274 -8.615 6.246 1.00 0.00 H new ATOM 0 HA ARG A 28 7.806 -7.208 7.816 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.475 -6.932 6.402 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.118 -6.176 7.942 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.649 -8.505 8.854 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.290 -9.139 7.351 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.077 -9.014 9.033 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.414 -7.903 7.720 1.00 0.00 H new ATOM 0 HE ARG A 28 10.982 -6.851 10.123 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.014 -6.993 8.270 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.687 -5.565 9.063 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.853 -5.028 11.119 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.464 -4.454 10.675 1.00 0.00 H new ATOM 443 N ILE A 29 7.119 -5.426 5.629 1.00 0.00 N ATOM 444 CA ILE A 29 6.744 -4.142 5.140 1.00 0.00 C ATOM 445 C ILE A 29 5.669 -3.559 6.040 1.00 0.00 C ATOM 446 O ILE A 29 4.584 -4.132 6.188 1.00 0.00 O ATOM 447 CB ILE A 29 6.275 -4.220 3.675 1.00 0.00 C ATOM 448 CG1 ILE A 29 7.431 -4.748 2.801 1.00 0.00 C ATOM 449 CG2 ILE A 29 5.819 -2.848 3.206 1.00 0.00 C ATOM 450 CD1 ILE A 29 7.074 -4.980 1.354 1.00 0.00 C ATOM 0 H ILE A 29 6.579 -6.203 5.249 1.00 0.00 H new ATOM 0 HA ILE A 29 7.612 -3.483 5.157 1.00 0.00 H new ATOM 0 HB ILE A 29 5.431 -4.904 3.590 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.257 -4.038 2.848 1.00 0.00 H new ATOM 0 HG13 ILE A 29 7.791 -5.685 3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.488 -2.909 2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.994 -2.506 3.830 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.647 -2.144 3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.948 -5.350 0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.271 -5.715 1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.744 -4.043 0.906 1.00 0.00 H new ATOM 462 N ALA A 30 6.000 -2.468 6.681 1.00 0.00 N ATOM 463 CA ALA A 30 5.111 -1.823 7.609 1.00 0.00 C ATOM 464 C ALA A 30 4.234 -0.809 6.905 1.00 0.00 C ATOM 465 O ALA A 30 4.720 0.072 6.179 1.00 0.00 O ATOM 466 CB ALA A 30 5.905 -1.169 8.704 1.00 0.00 C ATOM 0 H ALA A 30 6.900 -2.000 6.572 1.00 0.00 H new ATOM 0 HA ALA A 30 4.458 -2.578 8.048 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.226 -0.682 9.404 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.489 -1.924 9.230 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.576 -0.426 8.273 1.00 0.00 H new ATOM 472 N TYR A 31 2.963 -0.921 7.136 1.00 0.00 N ATOM 473 CA TYR A 31 1.985 -0.086 6.505 1.00 0.00 C ATOM 474 C TYR A 31 0.930 0.350 7.508 1.00 0.00 C ATOM 475 O TYR A 31 0.874 -0.158 8.633 1.00 0.00 O ATOM 476 CB TYR A 31 1.319 -0.845 5.345 1.00 0.00 C ATOM 477 CG TYR A 31 0.695 -2.173 5.753 1.00 0.00 C ATOM 478 CD1 TYR A 31 -0.597 -2.237 6.267 1.00 0.00 C ATOM 479 CD2 TYR A 31 1.409 -3.356 5.634 1.00 0.00 C ATOM 480 CE1 TYR A 31 -1.148 -3.435 6.656 1.00 0.00 C ATOM 481 CE2 TYR A 31 0.860 -4.557 6.015 1.00 0.00 C ATOM 482 CZ TYR A 31 -0.416 -4.591 6.531 1.00 0.00 C ATOM 483 OH TYR A 31 -0.966 -5.789 6.929 1.00 0.00 O ATOM 0 H TYR A 31 2.568 -1.607 7.779 1.00 0.00 H new ATOM 0 HA TYR A 31 2.485 0.801 6.116 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.548 -0.212 4.905 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.062 -1.027 4.569 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -1.176 -1.330 6.362 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.413 -3.333 5.236 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.150 -3.467 7.057 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.427 -5.470 5.910 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.275 -6.484 6.923 1.00 0.00 H new ATOM 493 N ASP A 32 0.132 1.276 7.105 1.00 0.00 N ATOM 494 CA ASP A 32 -0.975 1.778 7.885 1.00 0.00 C ATOM 495 C ASP A 32 -2.262 1.533 7.114 1.00 0.00 C ATOM 496 O ASP A 32 -2.380 1.960 5.962 1.00 0.00 O ATOM 497 CB ASP A 32 -0.772 3.273 8.150 1.00 0.00 C ATOM 498 CG ASP A 32 -1.944 3.925 8.829 1.00 0.00 C ATOM 499 OD1 ASP A 32 -2.229 3.607 10.006 1.00 0.00 O ATOM 500 OD2 ASP A 32 -2.599 4.770 8.202 1.00 0.00 O ATOM 0 H ASP A 32 0.224 1.728 6.195 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.033 1.265 8.845 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.116 3.407 8.767 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.582 3.779 7.204 1.00 0.00 H new ATOM 505 N GLU A 33 -3.185 0.798 7.714 1.00 0.00 N ATOM 506 CA GLU A 33 -4.446 0.466 7.062 1.00 0.00 C ATOM 507 C GLU A 33 -5.522 1.517 7.405 1.00 0.00 C ATOM 508 O GLU A 33 -5.655 1.945 8.566 1.00 0.00 O ATOM 509 CB GLU A 33 -4.870 -0.986 7.390 1.00 0.00 C ATOM 510 CG GLU A 33 -5.084 -1.290 8.869 1.00 0.00 C ATOM 511 CD GLU A 33 -5.350 -2.758 9.139 1.00 0.00 C ATOM 512 OE1 GLU A 33 -4.392 -3.568 9.129 1.00 0.00 O ATOM 513 OE2 GLU A 33 -6.507 -3.136 9.388 1.00 0.00 O ATOM 0 H GLU A 33 -3.086 0.418 8.655 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.315 0.502 5.980 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.794 -1.206 6.855 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.109 -1.664 7.004 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.203 -0.977 9.430 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.923 -0.700 9.238 1.00 0.00 H new ATOM 520 N VAL A 34 -6.277 1.919 6.401 1.00 0.00 N ATOM 521 CA VAL A 34 -7.173 3.080 6.503 1.00 0.00 C ATOM 522 C VAL A 34 -8.630 2.726 6.910 1.00 0.00 C ATOM 523 O VAL A 34 -9.114 1.626 6.677 1.00 0.00 O ATOM 524 CB VAL A 34 -7.166 3.886 5.159 1.00 0.00 C ATOM 525 CG1 VAL A 34 -7.864 5.229 5.267 1.00 0.00 C ATOM 526 CG2 VAL A 34 -5.755 4.061 4.638 1.00 0.00 C ATOM 0 H VAL A 34 -6.295 1.460 5.490 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.778 3.693 7.313 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.737 3.292 4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.825 5.738 4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.904 5.076 5.555 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.365 5.839 6.020 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.779 4.624 3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.160 4.603 5.373 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.309 3.083 4.461 1.00 0.00 H new ATOM 536 N ASP A 35 -9.295 3.732 7.475 1.00 0.00 N ATOM 537 CA ASP A 35 -10.679 3.733 8.004 1.00 0.00 C ATOM 538 C ASP A 35 -11.762 3.812 6.914 1.00 0.00 C ATOM 539 O ASP A 35 -12.947 3.902 7.244 1.00 0.00 O ATOM 540 CB ASP A 35 -10.895 4.902 8.981 1.00 0.00 C ATOM 541 CG ASP A 35 -10.042 4.842 10.224 1.00 0.00 C ATOM 542 OD1 ASP A 35 -8.870 5.256 10.171 1.00 0.00 O ATOM 543 OD2 ASP A 35 -10.541 4.443 11.296 1.00 0.00 O ATOM 0 H ASP A 35 -8.855 4.645 7.589 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.785 2.775 8.513 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.691 5.837 8.460 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.944 4.924 9.276 1.00 0.00 H new ATOM 548 N ILE A 36 -11.353 3.880 5.633 1.00 0.00 N ATOM 549 CA ILE A 36 -12.267 4.146 4.463 1.00 0.00 C ATOM 550 C ILE A 36 -13.599 3.371 4.444 1.00 0.00 C ATOM 551 O ILE A 36 -14.503 3.784 3.734 1.00 0.00 O ATOM 552 CB ILE A 36 -11.625 3.879 3.078 1.00 0.00 C ATOM 553 CG1 ILE A 36 -11.282 2.401 2.903 1.00 0.00 C ATOM 554 CG2 ILE A 36 -10.402 4.732 2.880 1.00 0.00 C ATOM 555 CD1 ILE A 36 -11.190 1.968 1.452 1.00 0.00 C ATOM 0 H ILE A 36 -10.378 3.754 5.360 1.00 0.00 H new ATOM 0 HA ILE A 36 -12.461 5.206 4.625 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.358 4.147 2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.332 2.196 3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.038 1.799 3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.970 4.526 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.679 5.785 2.941 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.670 4.504 3.655 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.943 0.907 1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.147 2.141 0.959 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.414 2.544 0.949 1.00 0.00 H new ATOM 567 N GLU A 37 -13.699 2.249 5.153 1.00 0.00 N ATOM 568 CA GLU A 37 -14.929 1.463 5.183 1.00 0.00 C ATOM 569 C GLU A 37 -16.087 2.341 5.664 1.00 0.00 C ATOM 570 O GLU A 37 -17.124 2.464 4.986 1.00 0.00 O ATOM 571 CB GLU A 37 -14.751 0.279 6.110 1.00 0.00 C ATOM 572 CG GLU A 37 -15.900 -0.698 6.135 1.00 0.00 C ATOM 573 CD GLU A 37 -15.629 -1.815 7.090 1.00 0.00 C ATOM 574 OE1 GLU A 37 -14.620 -2.515 6.922 1.00 0.00 O ATOM 575 OE2 GLU A 37 -16.397 -2.000 8.054 1.00 0.00 O ATOM 0 H GLU A 37 -12.941 1.863 5.716 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.154 1.098 4.181 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.847 -0.256 5.820 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -14.590 0.651 7.122 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -16.816 -0.182 6.423 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -16.062 -1.100 5.135 1.00 0.00 H new ATOM 582 N HIS A 38 -15.897 2.978 6.794 1.00 0.00 N ATOM 583 CA HIS A 38 -16.898 3.875 7.305 1.00 0.00 C ATOM 584 C HIS A 38 -16.552 5.315 6.934 1.00 0.00 C ATOM 585 O HIS A 38 -17.442 6.104 6.604 1.00 0.00 O ATOM 586 CB HIS A 38 -17.087 3.714 8.829 1.00 0.00 C ATOM 587 CG HIS A 38 -18.186 4.580 9.401 1.00 0.00 C ATOM 588 ND1 HIS A 38 -19.528 4.396 9.131 1.00 0.00 N ATOM 589 CD2 HIS A 38 -18.119 5.668 10.210 1.00 0.00 C ATOM 590 CE1 HIS A 38 -20.213 5.347 9.760 1.00 0.00 C ATOM 591 NE2 HIS A 38 -19.407 6.151 10.434 1.00 0.00 N ATOM 0 H HIS A 38 -15.062 2.891 7.373 1.00 0.00 H new ATOM 0 HA HIS A 38 -17.851 3.619 6.842 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -17.307 2.670 9.050 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -16.149 3.955 9.330 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -17.212 6.092 10.615 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -21.288 5.450 9.725 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -19.673 6.957 11.000 1.00 0.00 H new ATOM 599 N ASN A 39 -15.260 5.644 6.950 1.00 0.00 N ATOM 600 CA ASN A 39 -14.817 7.011 6.653 1.00 0.00 C ATOM 601 C ASN A 39 -14.992 7.331 5.185 1.00 0.00 C ATOM 602 O ASN A 39 -14.222 6.861 4.340 1.00 0.00 O ATOM 603 CB ASN A 39 -13.354 7.243 7.011 1.00 0.00 C ATOM 604 CG ASN A 39 -12.947 8.690 6.765 1.00 0.00 C ATOM 605 OD1 ASN A 39 -11.795 8.900 6.218 1.00 0.00 O flip ATOM 606 ND2 ASN A 39 -13.720 9.598 6.963 1.00 0.00 N flip ATOM 0 H ASN A 39 -14.506 4.991 7.163 1.00 0.00 H new ATOM 0 HA ASN A 39 -15.440 7.663 7.265 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.189 6.990 8.058 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.723 6.580 6.419 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -14.625 9.412 7.396 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.468 10.550 6.697 1.00 0.00 H new ATOM 613 N ARG A 40 -15.951 8.164 4.889 1.00 0.00 N ATOM 614 CA ARG A 40 -16.271 8.509 3.527 1.00 0.00 C ATOM 615 C ARG A 40 -15.243 9.478 2.943 1.00 0.00 C ATOM 616 O ARG A 40 -15.095 9.575 1.731 1.00 0.00 O ATOM 617 CB ARG A 40 -17.730 9.054 3.431 1.00 0.00 C ATOM 618 CG ARG A 40 -18.008 10.376 4.168 1.00 0.00 C ATOM 619 CD ARG A 40 -17.606 11.598 3.346 1.00 0.00 C ATOM 620 NE ARG A 40 -18.500 11.800 2.202 1.00 0.00 N ATOM 621 CZ ARG A 40 -18.168 11.747 0.896 1.00 0.00 C ATOM 622 NH1 ARG A 40 -16.985 11.297 0.498 1.00 0.00 N ATOM 623 NH2 ARG A 40 -19.058 12.098 -0.008 1.00 0.00 N ATOM 0 H ARG A 40 -16.536 8.625 5.586 1.00 0.00 H new ATOM 0 HA ARG A 40 -16.222 7.606 2.918 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.977 9.190 2.378 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -18.407 8.294 3.822 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -19.069 10.438 4.410 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -17.465 10.383 5.113 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -17.621 12.484 3.980 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -16.582 11.477 2.991 1.00 0.00 H new ATOM 0 HE ARG A 40 -19.477 12.002 2.416 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -16.302 10.981 1.186 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -16.759 11.267 -0.496 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -19.986 12.406 0.283 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -18.820 12.062 -0.999 1.00 0.00 H new ATOM 637 N ALA A 41 -14.533 10.193 3.802 1.00 0.00 N ATOM 638 CA ALA A 41 -13.582 11.180 3.334 1.00 0.00 C ATOM 639 C ALA A 41 -12.357 10.572 2.681 1.00 0.00 C ATOM 640 O ALA A 41 -11.955 10.998 1.601 1.00 0.00 O ATOM 641 CB ALA A 41 -13.253 12.217 4.389 1.00 0.00 C ATOM 0 H ALA A 41 -14.598 10.107 4.816 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.084 11.722 2.533 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.536 12.932 3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -14.163 12.741 4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.823 11.725 5.261 1.00 0.00 H new ATOM 647 N ALA A 42 -11.794 9.560 3.285 1.00 0.00 N ATOM 648 CA ALA A 42 -10.649 8.893 2.690 1.00 0.00 C ATOM 649 C ALA A 42 -11.111 7.932 1.611 1.00 0.00 C ATOM 650 O ALA A 42 -10.377 7.625 0.680 1.00 0.00 O ATOM 651 CB ALA A 42 -9.826 8.179 3.736 1.00 0.00 C ATOM 0 H ALA A 42 -12.099 9.177 4.179 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.009 9.648 2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.977 7.690 3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.465 8.900 4.469 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.442 7.431 4.235 1.00 0.00 H new ATOM 657 N ALA A 43 -12.354 7.475 1.728 1.00 0.00 N ATOM 658 CA ALA A 43 -12.939 6.586 0.735 1.00 0.00 C ATOM 659 C ALA A 43 -13.131 7.331 -0.569 1.00 0.00 C ATOM 660 O ALA A 43 -13.029 6.758 -1.652 1.00 0.00 O ATOM 661 CB ALA A 43 -14.263 6.037 1.227 1.00 0.00 C ATOM 0 H ALA A 43 -12.975 7.707 2.503 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.262 5.748 0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.685 5.375 0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.105 5.480 2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.952 6.861 1.413 1.00 0.00 H new ATOM 667 N GLU A 44 -13.359 8.628 -0.449 1.00 0.00 N ATOM 668 CA GLU A 44 -13.545 9.481 -1.588 1.00 0.00 C ATOM 669 C GLU A 44 -12.228 9.607 -2.343 1.00 0.00 C ATOM 670 O GLU A 44 -12.221 9.684 -3.564 1.00 0.00 O ATOM 671 CB GLU A 44 -14.036 10.852 -1.144 1.00 0.00 C ATOM 672 CG GLU A 44 -14.620 11.690 -2.263 1.00 0.00 C ATOM 673 CD GLU A 44 -15.818 11.030 -2.887 1.00 0.00 C ATOM 674 OE1 GLU A 44 -16.820 10.814 -2.179 1.00 0.00 O ATOM 675 OE2 GLU A 44 -15.790 10.725 -4.105 1.00 0.00 O ATOM 0 H GLU A 44 -13.419 9.111 0.448 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.296 9.046 -2.247 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -14.791 10.722 -0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.206 11.395 -0.693 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.905 12.668 -1.874 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.860 11.859 -3.026 1.00 0.00 H new ATOM 682 N PHE A 45 -11.110 9.591 -1.602 1.00 0.00 N ATOM 683 CA PHE A 45 -9.785 9.632 -2.213 1.00 0.00 C ATOM 684 C PHE A 45 -9.599 8.384 -3.059 1.00 0.00 C ATOM 685 O PHE A 45 -9.141 8.453 -4.198 1.00 0.00 O ATOM 686 CB PHE A 45 -8.671 9.722 -1.140 1.00 0.00 C ATOM 687 CG PHE A 45 -7.271 9.762 -1.716 1.00 0.00 C ATOM 688 CD1 PHE A 45 -6.686 10.968 -2.060 1.00 0.00 C ATOM 689 CD2 PHE A 45 -6.554 8.591 -1.932 1.00 0.00 C ATOM 690 CE1 PHE A 45 -5.420 11.009 -2.606 1.00 0.00 C ATOM 691 CE2 PHE A 45 -5.285 8.628 -2.473 1.00 0.00 C ATOM 692 CZ PHE A 45 -4.721 9.837 -2.813 1.00 0.00 C ATOM 0 H PHE A 45 -11.103 9.550 -0.583 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.710 10.523 -2.837 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.832 10.616 -0.537 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.754 8.866 -0.470 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.227 11.889 -1.899 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.996 7.640 -1.673 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.976 11.957 -2.871 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.736 7.711 -2.629 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.730 9.868 -3.242 1.00 0.00 H new ATOM 702 N VAL A 46 -10.001 7.256 -2.499 1.00 0.00 N ATOM 703 CA VAL A 46 -9.912 5.971 -3.176 1.00 0.00 C ATOM 704 C VAL A 46 -10.746 6.002 -4.453 1.00 0.00 C ATOM 705 O VAL A 46 -10.263 5.651 -5.532 1.00 0.00 O ATOM 706 CB VAL A 46 -10.392 4.816 -2.260 1.00 0.00 C ATOM 707 CG1 VAL A 46 -10.237 3.467 -2.945 1.00 0.00 C ATOM 708 CG2 VAL A 46 -9.631 4.828 -0.956 1.00 0.00 C ATOM 0 H VAL A 46 -10.399 7.204 -1.561 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.866 5.791 -3.426 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.451 4.971 -2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.582 2.678 -2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.830 3.453 -3.860 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.188 3.302 -3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.979 4.011 -0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.566 4.704 -1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.797 5.777 -0.447 1.00 0.00 H new ATOM 718 N GLY A 47 -11.970 6.490 -4.326 1.00 0.00 N ATOM 719 CA GLY A 47 -12.867 6.601 -5.458 1.00 0.00 C ATOM 720 C GLY A 47 -12.377 7.599 -6.494 1.00 0.00 C ATOM 721 O GLY A 47 -12.808 7.568 -7.644 1.00 0.00 O ATOM 0 H GLY A 47 -12.364 6.816 -3.443 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.979 5.623 -5.925 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.854 6.902 -5.107 1.00 0.00 H new ATOM 725 N SER A 48 -11.522 8.510 -6.073 1.00 0.00 N ATOM 726 CA SER A 48 -10.921 9.476 -6.955 1.00 0.00 C ATOM 727 C SER A 48 -9.689 8.907 -7.689 1.00 0.00 C ATOM 728 O SER A 48 -9.541 9.105 -8.900 1.00 0.00 O ATOM 729 CB SER A 48 -10.566 10.747 -6.192 1.00 0.00 C ATOM 730 OG SER A 48 -11.730 11.331 -5.608 1.00 0.00 O ATOM 0 H SER A 48 -11.226 8.597 -5.101 1.00 0.00 H new ATOM 0 HA SER A 48 -11.657 9.723 -7.720 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.839 10.517 -5.413 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.095 11.462 -6.867 1.00 0.00 H new ATOM 0 HG SER A 48 -11.898 10.922 -4.734 1.00 0.00 H new ATOM 736 N VAL A 49 -8.830 8.188 -6.967 1.00 0.00 N ATOM 737 CA VAL A 49 -7.582 7.668 -7.540 1.00 0.00 C ATOM 738 C VAL A 49 -7.823 6.480 -8.497 1.00 0.00 C ATOM 739 O VAL A 49 -7.100 6.308 -9.490 1.00 0.00 O ATOM 740 CB VAL A 49 -6.514 7.320 -6.440 1.00 0.00 C ATOM 741 CG1 VAL A 49 -6.973 6.200 -5.523 1.00 0.00 C ATOM 742 CG2 VAL A 49 -5.156 7.001 -7.054 1.00 0.00 C ATOM 0 H VAL A 49 -8.972 7.951 -5.985 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.166 8.478 -8.139 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.402 8.214 -5.826 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.200 5.997 -4.781 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.892 6.497 -5.018 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.156 5.301 -6.111 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.445 6.766 -6.262 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.251 6.145 -7.723 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.800 7.864 -7.617 1.00 0.00 H new ATOM 752 N ASN A 50 -8.825 5.673 -8.218 1.00 0.00 N ATOM 753 CA ASN A 50 -9.173 4.588 -9.123 1.00 0.00 C ATOM 754 C ASN A 50 -10.579 4.776 -9.635 1.00 0.00 C ATOM 755 O ASN A 50 -11.399 5.455 -8.997 1.00 0.00 O ATOM 756 CB ASN A 50 -8.951 3.168 -8.532 1.00 0.00 C ATOM 757 CG ASN A 50 -9.645 2.898 -7.206 1.00 0.00 C ATOM 758 OD1 ASN A 50 -10.822 2.553 -7.159 1.00 0.00 O ATOM 759 ND2 ASN A 50 -8.895 2.941 -6.131 1.00 0.00 N ATOM 0 H ASN A 50 -9.409 5.742 -7.384 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.478 4.643 -9.961 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.295 2.432 -9.259 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.880 3.011 -8.401 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.287 2.684 -5.225 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.920 3.232 -6.201 1.00 0.00 H new ATOM 766 N GLY A 51 -10.859 4.228 -10.785 1.00 0.00 N ATOM 767 CA GLY A 51 -12.143 4.441 -11.396 1.00 0.00 C ATOM 768 C GLY A 51 -12.974 3.191 -11.469 1.00 0.00 C ATOM 769 O GLY A 51 -12.438 2.077 -11.457 1.00 0.00 O ATOM 0 H GLY A 51 -10.221 3.635 -11.315 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -12.686 5.199 -10.832 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.999 4.834 -12.402 1.00 0.00 H new ATOM 773 N GLY A 52 -14.272 3.378 -11.544 1.00 0.00 N ATOM 774 CA GLY A 52 -15.205 2.289 -11.672 1.00 0.00 C ATOM 775 C GLY A 52 -15.333 1.476 -10.418 1.00 0.00 C ATOM 776 O GLY A 52 -15.958 1.909 -9.439 1.00 0.00 O ATOM 0 H GLY A 52 -14.710 4.299 -11.517 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -16.183 2.686 -11.942 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.888 1.640 -12.488 1.00 0.00 H new ATOM 780 N ASN A 53 -14.734 0.316 -10.432 1.00 0.00 N ATOM 781 CA ASN A 53 -14.780 -0.577 -9.302 1.00 0.00 C ATOM 782 C ASN A 53 -13.727 -0.122 -8.307 1.00 0.00 C ATOM 783 O ASN A 53 -12.528 -0.073 -8.652 1.00 0.00 O ATOM 784 CB ASN A 53 -14.492 -2.019 -9.745 1.00 0.00 C ATOM 785 CG ASN A 53 -14.818 -3.059 -8.674 1.00 0.00 C ATOM 786 OD1 ASN A 53 -14.810 -2.787 -7.481 1.00 0.00 O ATOM 787 ND2 ASN A 53 -15.098 -4.259 -9.094 1.00 0.00 N ATOM 0 H ASN A 53 -14.200 -0.038 -11.226 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.771 -0.556 -8.849 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.071 -2.238 -10.642 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.440 -2.105 -10.016 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.317 -4.996 -8.424 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.099 -4.462 -10.094 1.00 0.00 H new ATOM 794 N ARG A 54 -14.174 0.235 -7.104 1.00 0.00 N ATOM 795 CA ARG A 54 -13.308 0.727 -6.043 1.00 0.00 C ATOM 796 C ARG A 54 -12.232 -0.302 -5.755 1.00 0.00 C ATOM 797 O ARG A 54 -12.516 -1.377 -5.225 1.00 0.00 O ATOM 798 CB ARG A 54 -14.108 0.972 -4.755 1.00 0.00 C ATOM 799 CG ARG A 54 -13.341 1.735 -3.689 1.00 0.00 C ATOM 800 CD ARG A 54 -14.000 1.609 -2.327 1.00 0.00 C ATOM 801 NE ARG A 54 -13.902 0.233 -1.819 1.00 0.00 N ATOM 802 CZ ARG A 54 -13.860 -0.112 -0.533 1.00 0.00 C ATOM 803 NH1 ARG A 54 -14.221 0.753 0.413 1.00 0.00 N ATOM 804 NH2 ARG A 54 -13.548 -1.350 -0.207 1.00 0.00 N ATOM 0 H ARG A 54 -15.158 0.189 -6.840 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.863 1.666 -6.371 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -15.015 1.525 -5.002 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -14.422 0.012 -4.346 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.319 1.359 -3.636 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.279 2.787 -3.968 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.525 2.294 -1.625 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.048 1.900 -2.398 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.863 -0.519 -2.507 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.533 1.689 0.156 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.185 0.479 1.395 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.342 -2.033 -0.936 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.513 -1.625 0.774 1.00 0.00 H new ATOM 818 N THR A 55 -11.034 0.012 -6.123 1.00 0.00 N ATOM 819 CA THR A 55 -9.932 -0.865 -5.923 1.00 0.00 C ATOM 820 C THR A 55 -9.463 -0.716 -4.496 1.00 0.00 C ATOM 821 O THR A 55 -9.183 0.408 -4.052 1.00 0.00 O ATOM 822 CB THR A 55 -8.810 -0.494 -6.893 1.00 0.00 C ATOM 823 OG1 THR A 55 -9.388 -0.379 -8.209 1.00 0.00 O ATOM 824 CG2 THR A 55 -7.751 -1.575 -6.905 1.00 0.00 C ATOM 0 H THR A 55 -10.792 0.894 -6.575 1.00 0.00 H new ATOM 0 HA THR A 55 -10.223 -1.899 -6.107 1.00 0.00 H new ATOM 0 HB THR A 55 -8.345 0.443 -6.587 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.689 -0.139 -8.853 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.957 -1.299 -7.600 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.334 -1.687 -5.904 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.197 -2.518 -7.220 1.00 0.00 H new ATOM 832 N VAL A 56 -9.427 -1.807 -3.762 1.00 0.00 N ATOM 833 CA VAL A 56 -9.033 -1.722 -2.388 1.00 0.00 C ATOM 834 C VAL A 56 -7.586 -1.538 -2.214 1.00 0.00 C ATOM 835 O VAL A 56 -7.202 -0.493 -1.684 1.00 0.00 O ATOM 836 CB VAL A 56 -9.423 -2.892 -1.484 1.00 0.00 C ATOM 837 CG1 VAL A 56 -9.064 -2.555 -0.042 1.00 0.00 C ATOM 838 CG2 VAL A 56 -10.842 -3.147 -1.561 1.00 0.00 C ATOM 0 H VAL A 56 -9.662 -2.743 -4.093 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.602 -0.847 -2.075 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.884 -3.779 -1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.341 -3.387 0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.991 -2.377 0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.603 -1.660 0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.097 -3.983 -0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.389 -2.259 -1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.113 -3.391 -2.588 1.00 0.00 H new ATOM 848 N PRO A 57 -6.692 -2.506 -2.654 1.00 0.00 N ATOM 849 CA PRO A 57 -5.372 -2.459 -2.199 1.00 0.00 C ATOM 850 C PRO A 57 -4.528 -1.414 -2.943 1.00 0.00 C ATOM 851 O PRO A 57 -3.718 -1.710 -3.843 1.00 0.00 O ATOM 852 CB PRO A 57 -4.844 -3.856 -2.356 1.00 0.00 C ATOM 853 CG PRO A 57 -5.534 -4.359 -3.573 1.00 0.00 C ATOM 854 CD PRO A 57 -6.853 -3.603 -3.667 1.00 0.00 C ATOM 0 HA PRO A 57 -5.322 -2.137 -1.159 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.761 -3.863 -2.478 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.071 -4.470 -1.484 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.926 -4.190 -4.462 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.707 -5.433 -3.505 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.019 -3.205 -4.668 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.703 -4.245 -3.434 1.00 0.00 H new ATOM 862 N THR A 58 -4.810 -0.239 -2.611 1.00 0.00 N ATOM 863 CA THR A 58 -4.229 0.901 -3.119 1.00 0.00 C ATOM 864 C THR A 58 -3.227 1.376 -2.075 1.00 0.00 C ATOM 865 O THR A 58 -3.582 1.575 -0.909 1.00 0.00 O ATOM 866 CB THR A 58 -5.376 1.916 -3.332 1.00 0.00 C ATOM 867 OG1 THR A 58 -6.362 1.328 -4.213 1.00 0.00 O ATOM 868 CG2 THR A 58 -4.891 3.218 -3.935 1.00 0.00 C ATOM 0 H THR A 58 -5.522 -0.034 -1.910 1.00 0.00 H new ATOM 0 HA THR A 58 -3.707 0.756 -4.065 1.00 0.00 H new ATOM 0 HB THR A 58 -5.804 2.144 -2.356 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.201 1.196 -3.724 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.735 3.896 -4.064 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.157 3.675 -3.272 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.432 3.022 -4.904 1.00 0.00 H new ATOM 876 N VAL A 59 -1.989 1.463 -2.459 1.00 0.00 N ATOM 877 CA VAL A 59 -0.950 1.835 -1.538 1.00 0.00 C ATOM 878 C VAL A 59 -0.358 3.184 -1.906 1.00 0.00 C ATOM 879 O VAL A 59 -0.078 3.458 -3.079 1.00 0.00 O ATOM 880 CB VAL A 59 0.161 0.740 -1.452 1.00 0.00 C ATOM 881 CG1 VAL A 59 0.701 0.415 -2.819 1.00 0.00 C ATOM 882 CG2 VAL A 59 1.291 1.149 -0.509 1.00 0.00 C ATOM 0 H VAL A 59 -1.669 1.281 -3.410 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.401 1.920 -0.550 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.301 -0.157 -1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.473 -0.350 -2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.107 0.046 -3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.128 1.313 -3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.042 0.360 -0.478 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.748 2.071 -0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.890 1.308 0.492 1.00 0.00 H new ATOM 892 N LYS A 60 -0.229 4.020 -0.925 1.00 0.00 N ATOM 893 CA LYS A 60 0.367 5.305 -1.084 1.00 0.00 C ATOM 894 C LYS A 60 1.706 5.302 -0.363 1.00 0.00 C ATOM 895 O LYS A 60 1.784 4.924 0.817 1.00 0.00 O ATOM 896 CB LYS A 60 -0.566 6.377 -0.521 1.00 0.00 C ATOM 897 CG LYS A 60 -0.108 7.800 -0.738 1.00 0.00 C ATOM 898 CD LYS A 60 -1.188 8.769 -0.297 1.00 0.00 C ATOM 899 CE LYS A 60 -0.788 10.204 -0.557 1.00 0.00 C ATOM 900 NZ LYS A 60 0.289 10.649 0.351 1.00 0.00 N ATOM 0 H LYS A 60 -0.541 3.823 0.026 1.00 0.00 H new ATOM 0 HA LYS A 60 0.531 5.528 -2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.550 6.255 -0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.684 6.209 0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.808 7.985 -0.177 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.126 7.958 -1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.115 8.547 -0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.388 8.633 0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.457 10.307 -1.590 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.657 10.851 -0.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.639 11.579 0.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.082 10.721 1.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.068 9.961 0.328 1.00 0.00 H new ATOM 914 N PHE A 61 2.746 5.663 -1.076 1.00 0.00 N ATOM 915 CA PHE A 61 4.087 5.697 -0.524 1.00 0.00 C ATOM 916 C PHE A 61 4.396 7.068 0.025 1.00 0.00 C ATOM 917 O PHE A 61 3.628 8.015 -0.182 1.00 0.00 O ATOM 918 CB PHE A 61 5.143 5.317 -1.588 1.00 0.00 C ATOM 919 CG PHE A 61 5.148 3.863 -1.981 1.00 0.00 C ATOM 920 CD1 PHE A 61 4.112 3.309 -2.713 1.00 0.00 C ATOM 921 CD2 PHE A 61 6.203 3.049 -1.609 1.00 0.00 C ATOM 922 CE1 PHE A 61 4.132 1.972 -3.056 1.00 0.00 C ATOM 923 CE2 PHE A 61 6.220 1.720 -1.953 1.00 0.00 C ATOM 924 CZ PHE A 61 5.186 1.180 -2.674 1.00 0.00 C ATOM 0 H PHE A 61 2.691 5.942 -2.055 1.00 0.00 H new ATOM 0 HA PHE A 61 4.129 4.965 0.283 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.973 5.920 -2.480 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.131 5.580 -1.210 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.281 3.928 -3.018 1.00 0.00 H new ATOM 0 HD2 PHE A 61 7.023 3.464 -1.041 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.318 1.549 -3.625 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.051 1.098 -1.655 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.201 0.134 -2.941 1.00 0.00 H new ATOM 934 N ALA A 62 5.553 7.185 0.667 1.00 0.00 N ATOM 935 CA ALA A 62 6.019 8.439 1.259 1.00 0.00 C ATOM 936 C ALA A 62 6.242 9.519 0.200 1.00 0.00 C ATOM 937 O ALA A 62 6.289 10.706 0.518 1.00 0.00 O ATOM 938 CB ALA A 62 7.292 8.208 2.057 1.00 0.00 C ATOM 0 H ALA A 62 6.201 6.407 0.794 1.00 0.00 H new ATOM 0 HA ALA A 62 5.238 8.795 1.931 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.626 9.151 2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.097 7.491 2.854 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.068 7.817 1.399 1.00 0.00 H new ATOM 944 N ASP A 63 6.359 9.098 -1.056 1.00 0.00 N ATOM 945 CA ASP A 63 6.511 10.031 -2.181 1.00 0.00 C ATOM 946 C ASP A 63 5.193 10.722 -2.468 1.00 0.00 C ATOM 947 O ASP A 63 5.146 11.748 -3.143 1.00 0.00 O ATOM 948 CB ASP A 63 6.944 9.319 -3.476 1.00 0.00 C ATOM 949 CG ASP A 63 8.330 8.728 -3.460 1.00 0.00 C ATOM 950 OD1 ASP A 63 9.304 9.449 -3.142 1.00 0.00 O ATOM 951 OD2 ASP A 63 8.473 7.529 -3.790 1.00 0.00 O ATOM 0 H ASP A 63 6.352 8.115 -1.326 1.00 0.00 H new ATOM 0 HA ASP A 63 7.281 10.744 -1.887 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.231 8.522 -3.688 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.881 10.030 -4.299 1.00 0.00 H new ATOM 956 N GLY A 64 4.118 10.144 -1.971 1.00 0.00 N ATOM 957 CA GLY A 64 2.803 10.666 -2.235 1.00 0.00 C ATOM 958 C GLY A 64 2.156 9.916 -3.373 1.00 0.00 C ATOM 959 O GLY A 64 0.952 10.006 -3.591 1.00 0.00 O ATOM 0 H GLY A 64 4.135 9.312 -1.382 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.186 10.584 -1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.869 11.726 -2.481 1.00 0.00 H new ATOM 963 N SER A 65 2.958 9.149 -4.065 1.00 0.00 N ATOM 964 CA SER A 65 2.531 8.386 -5.185 1.00 0.00 C ATOM 965 C SER A 65 1.737 7.161 -4.747 1.00 0.00 C ATOM 966 O SER A 65 1.990 6.580 -3.674 1.00 0.00 O ATOM 967 CB SER A 65 3.755 8.015 -6.010 1.00 0.00 C ATOM 968 OG SER A 65 4.808 7.577 -5.156 1.00 0.00 O ATOM 0 H SER A 65 3.950 9.042 -3.851 1.00 0.00 H new ATOM 0 HA SER A 65 1.855 8.977 -5.803 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.500 7.227 -6.719 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.084 8.875 -6.594 1.00 0.00 H new ATOM 0 HG SER A 65 5.672 7.792 -5.566 1.00 0.00 H new ATOM 974 N THR A 66 0.773 6.807 -5.537 1.00 0.00 N ATOM 975 CA THR A 66 -0.069 5.697 -5.268 1.00 0.00 C ATOM 976 C THR A 66 0.131 4.602 -6.301 1.00 0.00 C ATOM 977 O THR A 66 0.293 4.882 -7.498 1.00 0.00 O ATOM 978 CB THR A 66 -1.536 6.159 -5.267 1.00 0.00 C ATOM 979 OG1 THR A 66 -1.716 7.162 -6.294 1.00 0.00 O ATOM 980 CG2 THR A 66 -1.937 6.728 -3.918 1.00 0.00 C ATOM 0 H THR A 66 0.549 7.295 -6.404 1.00 0.00 H new ATOM 0 HA THR A 66 0.188 5.290 -4.290 1.00 0.00 H new ATOM 0 HB THR A 66 -2.171 5.296 -5.467 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.426 7.781 -6.025 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.979 7.045 -3.952 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.815 5.964 -3.150 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.305 7.584 -3.682 1.00 0.00 H new ATOM 988 N LEU A 67 0.147 3.383 -5.843 1.00 0.00 N ATOM 989 CA LEU A 67 0.248 2.223 -6.692 1.00 0.00 C ATOM 990 C LEU A 67 -1.013 1.393 -6.540 1.00 0.00 C ATOM 991 O LEU A 67 -1.398 1.024 -5.418 1.00 0.00 O ATOM 992 CB LEU A 67 1.522 1.379 -6.411 1.00 0.00 C ATOM 993 CG LEU A 67 2.859 1.870 -7.035 1.00 0.00 C ATOM 994 CD1 LEU A 67 3.316 3.234 -6.521 1.00 0.00 C ATOM 995 CD2 LEU A 67 3.956 0.823 -6.878 1.00 0.00 C ATOM 0 H LEU A 67 0.089 3.160 -4.849 1.00 0.00 H new ATOM 0 HA LEU A 67 0.344 2.561 -7.724 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.656 1.321 -5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.338 0.364 -6.764 1.00 0.00 H new ATOM 0 HG LEU A 67 2.658 2.008 -8.097 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.255 3.508 -7.002 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.558 3.982 -6.752 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.462 3.186 -5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.879 1.194 -7.323 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.119 0.623 -5.819 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.655 -0.097 -7.379 1.00 0.00 H new ATOM 1007 N THR A 68 -1.667 1.144 -7.638 1.00 0.00 N ATOM 1008 CA THR A 68 -2.919 0.430 -7.646 1.00 0.00 C ATOM 1009 C THR A 68 -2.684 -1.036 -8.059 1.00 0.00 C ATOM 1010 O THR A 68 -2.296 -1.315 -9.202 1.00 0.00 O ATOM 1011 CB THR A 68 -3.891 1.133 -8.620 1.00 0.00 C ATOM 1012 OG1 THR A 68 -3.948 2.542 -8.282 1.00 0.00 O ATOM 1013 CG2 THR A 68 -5.288 0.543 -8.531 1.00 0.00 C ATOM 0 H THR A 68 -1.347 1.432 -8.563 1.00 0.00 H new ATOM 0 HA THR A 68 -3.357 0.431 -6.648 1.00 0.00 H new ATOM 0 HB THR A 68 -3.527 0.991 -9.638 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.561 3.001 -8.894 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.947 1.060 -9.229 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.252 -0.517 -8.783 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.669 0.662 -7.517 1.00 0.00 H new ATOM 1021 N ASN A 69 -2.897 -1.947 -7.111 1.00 0.00 N ATOM 1022 CA ASN A 69 -2.653 -3.410 -7.276 1.00 0.00 C ATOM 1023 C ASN A 69 -1.192 -3.737 -7.641 1.00 0.00 C ATOM 1024 O ASN A 69 -0.923 -4.260 -8.730 1.00 0.00 O ATOM 1025 CB ASN A 69 -3.584 -4.089 -8.307 1.00 0.00 C ATOM 1026 CG ASN A 69 -5.048 -4.095 -7.946 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -5.421 -4.087 -6.781 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -5.883 -4.142 -8.953 1.00 0.00 N ATOM 0 H ASN A 69 -3.250 -1.703 -6.186 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.880 -3.819 -6.291 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.465 -3.586 -9.266 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.256 -5.119 -8.445 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.888 -4.174 -8.781 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.529 -4.147 -9.909 1.00 0.00 H new ATOM 1035 N PRO A 70 -0.218 -3.389 -6.787 1.00 0.00 N ATOM 1036 CA PRO A 70 1.186 -3.726 -7.029 1.00 0.00 C ATOM 1037 C PRO A 70 1.528 -5.136 -6.520 1.00 0.00 C ATOM 1038 O PRO A 70 0.681 -5.832 -5.938 1.00 0.00 O ATOM 1039 CB PRO A 70 1.908 -2.695 -6.172 1.00 0.00 C ATOM 1040 CG PRO A 70 1.027 -2.591 -4.983 1.00 0.00 C ATOM 1041 CD PRO A 70 -0.370 -2.604 -5.539 1.00 0.00 C ATOM 0 HA PRO A 70 1.448 -3.716 -8.087 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.913 -3.022 -5.905 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.010 -1.739 -6.686 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.188 -3.423 -4.297 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.222 -1.675 -4.425 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -1.075 -3.070 -4.851 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.736 -1.597 -5.737 1.00 0.00 H new ATOM 1049 N SER A 71 2.743 -5.547 -6.747 1.00 0.00 N ATOM 1050 CA SER A 71 3.240 -6.798 -6.245 1.00 0.00 C ATOM 1051 C SER A 71 4.294 -6.515 -5.164 1.00 0.00 C ATOM 1052 O SER A 71 4.962 -5.464 -5.203 1.00 0.00 O ATOM 1053 CB SER A 71 3.810 -7.615 -7.401 1.00 0.00 C ATOM 1054 OG SER A 71 2.807 -7.809 -8.401 1.00 0.00 O ATOM 0 H SER A 71 3.424 -5.018 -7.291 1.00 0.00 H new ATOM 0 HA SER A 71 2.438 -7.382 -5.792 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.670 -7.102 -7.831 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.164 -8.579 -7.036 1.00 0.00 H new ATOM 0 HG SER A 71 3.180 -8.333 -9.141 1.00 0.00 H new ATOM 1060 N ALA A 72 4.431 -7.436 -4.213 1.00 0.00 N ATOM 1061 CA ALA A 72 5.309 -7.283 -3.039 1.00 0.00 C ATOM 1062 C ALA A 72 6.767 -6.962 -3.399 1.00 0.00 C ATOM 1063 O ALA A 72 7.433 -6.191 -2.690 1.00 0.00 O ATOM 1064 CB ALA A 72 5.236 -8.528 -2.166 1.00 0.00 C ATOM 0 H ALA A 72 3.931 -8.325 -4.230 1.00 0.00 H new ATOM 0 HA ALA A 72 4.939 -6.420 -2.485 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.888 -8.405 -1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.210 -8.676 -1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.557 -9.396 -2.742 1.00 0.00 H new ATOM 1070 N ASP A 73 7.246 -7.517 -4.501 1.00 0.00 N ATOM 1071 CA ASP A 73 8.629 -7.308 -4.947 1.00 0.00 C ATOM 1072 C ASP A 73 8.881 -5.843 -5.296 1.00 0.00 C ATOM 1073 O ASP A 73 9.955 -5.304 -4.991 1.00 0.00 O ATOM 1074 CB ASP A 73 9.019 -8.245 -6.119 1.00 0.00 C ATOM 1075 CG ASP A 73 8.286 -7.970 -7.426 1.00 0.00 C ATOM 1076 OD1 ASP A 73 7.057 -8.194 -7.490 1.00 0.00 O ATOM 1077 OD2 ASP A 73 8.936 -7.522 -8.406 1.00 0.00 O ATOM 0 H ASP A 73 6.698 -8.122 -5.113 1.00 0.00 H new ATOM 0 HA ASP A 73 9.276 -7.570 -4.109 1.00 0.00 H new ATOM 0 HB2 ASP A 73 10.091 -8.158 -6.294 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.828 -9.276 -5.821 1.00 0.00 H new ATOM 1082 N GLU A 74 7.891 -5.189 -5.885 1.00 0.00 N ATOM 1083 CA GLU A 74 7.996 -3.767 -6.178 1.00 0.00 C ATOM 1084 C GLU A 74 7.873 -2.964 -4.930 1.00 0.00 C ATOM 1085 O GLU A 74 8.626 -2.024 -4.720 1.00 0.00 O ATOM 1086 CB GLU A 74 6.944 -3.300 -7.173 1.00 0.00 C ATOM 1087 CG GLU A 74 7.309 -3.558 -8.608 1.00 0.00 C ATOM 1088 CD GLU A 74 8.532 -2.758 -9.018 1.00 0.00 C ATOM 1089 OE1 GLU A 74 8.399 -1.532 -9.273 1.00 0.00 O ATOM 1090 OE2 GLU A 74 9.641 -3.330 -9.096 1.00 0.00 O ATOM 0 H GLU A 74 7.010 -5.617 -6.168 1.00 0.00 H new ATOM 0 HA GLU A 74 8.978 -3.615 -6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.001 -3.800 -6.952 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.777 -2.231 -7.037 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.503 -4.621 -8.751 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.469 -3.298 -9.252 1.00 0.00 H new ATOM 1097 N VAL A 75 6.942 -3.356 -4.084 1.00 0.00 N ATOM 1098 CA VAL A 75 6.672 -2.628 -2.864 1.00 0.00 C ATOM 1099 C VAL A 75 7.913 -2.585 -1.971 1.00 0.00 C ATOM 1100 O VAL A 75 8.239 -1.552 -1.419 1.00 0.00 O ATOM 1101 CB VAL A 75 5.455 -3.203 -2.086 1.00 0.00 C ATOM 1102 CG1 VAL A 75 5.168 -2.383 -0.836 1.00 0.00 C ATOM 1103 CG2 VAL A 75 4.223 -3.238 -2.974 1.00 0.00 C ATOM 0 H VAL A 75 6.357 -4.180 -4.222 1.00 0.00 H new ATOM 0 HA VAL A 75 6.413 -1.610 -3.154 1.00 0.00 H new ATOM 0 HB VAL A 75 5.704 -4.220 -1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.312 -2.807 -0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.040 -2.400 -0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.946 -1.354 -1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.381 -3.643 -2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.985 -2.227 -3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.418 -3.868 -3.842 1.00 0.00 H new ATOM 1113 N LYS A 76 8.628 -3.701 -1.892 1.00 0.00 N ATOM 1114 CA LYS A 76 9.835 -3.778 -1.080 1.00 0.00 C ATOM 1115 C LYS A 76 10.941 -2.868 -1.655 1.00 0.00 C ATOM 1116 O LYS A 76 11.573 -2.103 -0.925 1.00 0.00 O ATOM 1117 CB LYS A 76 10.331 -5.232 -0.988 1.00 0.00 C ATOM 1118 CG LYS A 76 11.481 -5.436 -0.001 1.00 0.00 C ATOM 1119 CD LYS A 76 11.951 -6.887 0.055 1.00 0.00 C ATOM 1120 CE LYS A 76 12.612 -7.318 -1.246 1.00 0.00 C ATOM 1121 NZ LYS A 76 13.063 -8.726 -1.214 1.00 0.00 N ATOM 0 H LYS A 76 8.392 -4.565 -2.381 1.00 0.00 H new ATOM 0 HA LYS A 76 9.592 -3.429 -0.076 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.498 -5.871 -0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.652 -5.559 -1.977 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.317 -4.797 -0.285 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.163 -5.122 0.993 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.655 -7.009 0.878 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.101 -7.537 0.263 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.909 -7.184 -2.068 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.466 -6.671 -1.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.506 -8.969 -2.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.754 -8.852 -0.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.246 -9.348 -1.049 1.00 0.00 H new ATOM 1135 N ALA A 77 11.130 -2.920 -2.965 1.00 0.00 N ATOM 1136 CA ALA A 77 12.182 -2.138 -3.632 1.00 0.00 C ATOM 1137 C ALA A 77 11.859 -0.637 -3.617 1.00 0.00 C ATOM 1138 O ALA A 77 12.746 0.214 -3.487 1.00 0.00 O ATOM 1139 CB ALA A 77 12.374 -2.630 -5.056 1.00 0.00 C ATOM 0 H ALA A 77 10.571 -3.495 -3.596 1.00 0.00 H new ATOM 0 HA ALA A 77 13.111 -2.280 -3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.155 -2.044 -5.541 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.664 -3.681 -5.042 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.441 -2.518 -5.608 1.00 0.00 H new ATOM 1145 N LYS A 78 10.601 -0.313 -3.742 1.00 0.00 N ATOM 1146 CA LYS A 78 10.172 1.067 -3.699 1.00 0.00 C ATOM 1147 C LYS A 78 10.132 1.564 -2.258 1.00 0.00 C ATOM 1148 O LYS A 78 10.241 2.754 -2.016 1.00 0.00 O ATOM 1149 CB LYS A 78 8.823 1.241 -4.423 1.00 0.00 C ATOM 1150 CG LYS A 78 8.879 0.921 -5.921 1.00 0.00 C ATOM 1151 CD LYS A 78 9.683 1.956 -6.698 1.00 0.00 C ATOM 1152 CE LYS A 78 9.939 1.530 -8.148 1.00 0.00 C ATOM 1153 NZ LYS A 78 8.708 1.148 -8.885 1.00 0.00 N ATOM 0 H LYS A 78 9.847 -0.987 -3.875 1.00 0.00 H new ATOM 0 HA LYS A 78 10.896 1.684 -4.232 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.082 0.596 -3.951 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.481 2.268 -4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.322 -0.064 -6.065 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.866 0.876 -6.320 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.150 2.907 -6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.637 2.122 -6.197 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.429 2.348 -8.676 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.631 0.688 -8.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.815 1.393 -9.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.552 0.124 -8.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.894 1.660 -8.489 1.00 0.00 H new ATOM 1167 N LEU A 79 10.023 0.644 -1.310 1.00 0.00 N ATOM 1168 CA LEU A 79 10.047 1.005 0.102 1.00 0.00 C ATOM 1169 C LEU A 79 11.461 1.417 0.482 1.00 0.00 C ATOM 1170 O LEU A 79 11.678 2.448 1.116 1.00 0.00 O ATOM 1171 CB LEU A 79 9.623 -0.170 1.011 1.00 0.00 C ATOM 1172 CG LEU A 79 9.465 0.139 2.513 1.00 0.00 C ATOM 1173 CD1 LEU A 79 8.222 0.988 2.798 1.00 0.00 C ATOM 1174 CD2 LEU A 79 9.448 -1.146 3.326 1.00 0.00 C ATOM 0 H LEU A 79 9.917 -0.354 -1.491 1.00 0.00 H new ATOM 0 HA LEU A 79 9.340 1.822 0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.674 -0.560 0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.359 -0.967 0.903 1.00 0.00 H new ATOM 0 HG LEU A 79 10.330 0.729 2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.151 1.181 3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.297 1.935 2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.332 0.453 2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.336 -0.906 4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.613 -1.769 3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.383 -1.685 3.174 1.00 0.00 H new ATOM 1186 N VAL A 80 12.428 0.619 0.065 1.00 0.00 N ATOM 1187 CA VAL A 80 13.812 0.877 0.413 1.00 0.00 C ATOM 1188 C VAL A 80 14.347 2.171 -0.186 1.00 0.00 C ATOM 1189 O VAL A 80 15.197 2.808 0.416 1.00 0.00 O ATOM 1190 CB VAL A 80 14.766 -0.318 0.130 1.00 0.00 C ATOM 1191 CG1 VAL A 80 14.403 -1.521 0.974 1.00 0.00 C ATOM 1192 CG2 VAL A 80 14.774 -0.680 -1.326 1.00 0.00 C ATOM 0 H VAL A 80 12.281 -0.209 -0.512 1.00 0.00 H new ATOM 0 HA VAL A 80 13.798 1.005 1.495 1.00 0.00 H new ATOM 0 HB VAL A 80 15.772 -0.001 0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 80 15.088 -2.340 0.754 1.00 0.00 H new ATOM 0 HG12 VAL A 80 14.477 -1.260 2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.383 -1.830 0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.451 -1.519 -1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.768 -0.960 -1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.109 0.176 -1.912 1.00 0.00 H new ATOM 1202 N LYS A 81 13.820 2.594 -1.335 1.00 0.00 N ATOM 1203 CA LYS A 81 14.303 3.834 -1.931 1.00 0.00 C ATOM 1204 C LYS A 81 13.731 5.042 -1.163 1.00 0.00 C ATOM 1205 O LYS A 81 14.348 6.097 -1.104 1.00 0.00 O ATOM 1206 CB LYS A 81 13.934 3.963 -3.432 1.00 0.00 C ATOM 1207 CG LYS A 81 12.490 4.366 -3.675 1.00 0.00 C ATOM 1208 CD LYS A 81 12.190 4.657 -5.130 1.00 0.00 C ATOM 1209 CE LYS A 81 10.844 5.370 -5.262 1.00 0.00 C ATOM 1210 NZ LYS A 81 10.884 6.754 -4.700 1.00 0.00 N ATOM 0 H LYS A 81 13.085 2.115 -1.855 1.00 0.00 H new ATOM 0 HA LYS A 81 15.391 3.815 -1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.590 4.699 -3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.124 3.010 -3.927 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.833 3.568 -3.328 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.261 5.250 -3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.980 5.276 -5.555 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.174 3.727 -5.698 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.559 5.414 -6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.076 4.792 -4.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.028 6.924 -4.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.724 6.859 -4.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.927 7.443 -5.478 1.00 0.00 H new ATOM 1224 N ILE A 82 12.535 4.876 -0.582 1.00 0.00 N ATOM 1225 CA ILE A 82 11.876 5.974 0.111 1.00 0.00 C ATOM 1226 C ILE A 82 12.344 6.079 1.556 1.00 0.00 C ATOM 1227 O ILE A 82 12.164 7.101 2.216 1.00 0.00 O ATOM 1228 CB ILE A 82 10.292 5.938 -0.038 1.00 0.00 C ATOM 1229 CG1 ILE A 82 9.609 4.739 0.658 1.00 0.00 C ATOM 1230 CG2 ILE A 82 9.913 5.921 -1.505 1.00 0.00 C ATOM 1231 CD1 ILE A 82 9.368 4.900 2.143 1.00 0.00 C ATOM 0 H ILE A 82 12.014 3.999 -0.581 1.00 0.00 H new ATOM 0 HA ILE A 82 12.183 6.896 -0.383 1.00 0.00 H new ATOM 0 HB ILE A 82 9.935 6.838 0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.652 4.555 0.170 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.223 3.852 0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.827 5.896 -1.600 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.300 6.817 -1.991 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.339 5.038 -1.981 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.885 4.004 2.532 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.320 5.049 2.652 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.725 5.763 2.316 1.00 0.00 H new ATOM 1243 N ALA A 83 12.961 5.012 2.030 1.00 0.00 N ATOM 1244 CA ALA A 83 13.505 4.970 3.378 1.00 0.00 C ATOM 1245 C ALA A 83 14.842 5.702 3.436 1.00 0.00 C ATOM 1246 O ALA A 83 15.253 6.205 4.488 1.00 0.00 O ATOM 1247 CB ALA A 83 13.666 3.528 3.838 1.00 0.00 C ATOM 0 H ALA A 83 13.099 4.154 1.496 1.00 0.00 H new ATOM 0 HA ALA A 83 12.809 5.472 4.050 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.074 3.512 4.849 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.695 3.033 3.831 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.345 3.005 3.164 1.00 0.00 H new ATOM 1253 N GLY A 84 15.502 5.775 2.307 1.00 0.00 N ATOM 1254 CA GLY A 84 16.776 6.429 2.232 1.00 0.00 C ATOM 1255 C GLY A 84 17.863 5.437 1.934 1.00 0.00 C ATOM 1256 O GLY A 84 17.589 4.359 1.406 1.00 0.00 O ATOM 0 H GLY A 84 15.172 5.385 1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 84 16.753 7.195 1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.987 6.935 3.174 1.00 0.00 H new ATOM 1260 N LEU A 85 19.075 5.759 2.280 1.00 0.00 N ATOM 1261 CA LEU A 85 20.182 4.869 2.032 1.00 0.00 C ATOM 1262 C LEU A 85 20.461 4.003 3.251 1.00 0.00 C ATOM 1263 O LEU A 85 21.325 4.306 4.075 1.00 0.00 O ATOM 1264 CB LEU A 85 21.442 5.632 1.587 1.00 0.00 C ATOM 1265 CG LEU A 85 21.326 6.428 0.276 1.00 0.00 C ATOM 1266 CD1 LEU A 85 22.626 7.154 -0.029 1.00 0.00 C ATOM 1267 CD2 LEU A 85 20.948 5.516 -0.885 1.00 0.00 C ATOM 0 H LEU A 85 19.327 6.635 2.737 1.00 0.00 H new ATOM 0 HA LEU A 85 19.900 4.214 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 85 21.724 6.322 2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 85 22.257 4.916 1.482 1.00 0.00 H new ATOM 0 HG LEU A 85 20.535 7.167 0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 85 22.522 7.711 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 85 22.856 7.844 0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 85 23.433 6.428 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 85 20.873 6.104 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 85 21.712 4.749 -1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.988 5.042 -0.678 1.00 0.00 H new ATOM 1279 N GLU A 86 19.668 2.979 3.407 1.00 0.00 N ATOM 1280 CA GLU A 86 19.852 2.041 4.480 1.00 0.00 C ATOM 1281 C GLU A 86 20.493 0.799 3.900 1.00 0.00 C ATOM 1282 O GLU A 86 21.549 0.337 4.354 1.00 0.00 O ATOM 1283 CB GLU A 86 18.514 1.718 5.157 1.00 0.00 C ATOM 1284 CG GLU A 86 18.651 0.822 6.369 1.00 0.00 C ATOM 1285 CD GLU A 86 17.351 0.601 7.100 1.00 0.00 C ATOM 1286 OE1 GLU A 86 16.896 1.526 7.822 1.00 0.00 O ATOM 1287 OE2 GLU A 86 16.798 -0.524 7.040 1.00 0.00 O ATOM 0 H GLU A 86 18.878 2.771 2.796 1.00 0.00 H new ATOM 0 HA GLU A 86 20.497 2.464 5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.033 2.649 5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.856 1.238 4.433 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.051 -0.142 6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.375 1.260 7.056 1.00 0.00 H new ATOM 1294 N HIS A 87 19.876 0.295 2.857 1.00 0.00 N ATOM 1295 CA HIS A 87 20.396 -0.830 2.128 1.00 0.00 C ATOM 1296 C HIS A 87 21.258 -0.313 1.004 1.00 0.00 C ATOM 1297 O HIS A 87 20.815 -0.199 -0.153 1.00 0.00 O ATOM 1298 CB HIS A 87 19.280 -1.734 1.575 1.00 0.00 C ATOM 1299 CG HIS A 87 18.482 -2.469 2.611 1.00 0.00 C ATOM 1300 ND1 HIS A 87 18.552 -3.828 2.800 1.00 0.00 N ATOM 1301 CD2 HIS A 87 17.555 -2.018 3.490 1.00 0.00 C ATOM 1302 CE1 HIS A 87 17.692 -4.162 3.758 1.00 0.00 C ATOM 1303 NE2 HIS A 87 17.056 -3.095 4.217 1.00 0.00 N ATOM 0 H HIS A 87 18.996 0.658 2.491 1.00 0.00 H new ATOM 0 HA HIS A 87 20.984 -1.444 2.810 1.00 0.00 H new ATOM 0 HB2 HIS A 87 18.600 -1.123 0.982 1.00 0.00 H new ATOM 0 HB3 HIS A 87 19.726 -2.463 0.899 1.00 0.00 H new ATOM 0 HD2 HIS A 87 17.252 -0.988 3.608 1.00 0.00 H new ATOM 0 HE1 HIS A 87 17.533 -5.169 4.114 1.00 0.00 H new ATOM 0 HE2 HIS A 87 16.348 -3.068 4.951 1.00 0.00 H new ATOM 1311 N HIS A 88 22.444 0.076 1.353 1.00 0.00 N ATOM 1312 CA HIS A 88 23.361 0.636 0.417 1.00 0.00 C ATOM 1313 C HIS A 88 24.764 0.231 0.819 1.00 0.00 C ATOM 1314 O HIS A 88 25.228 -0.807 0.342 1.00 0.00 O ATOM 1315 CB HIS A 88 23.192 2.166 0.372 1.00 0.00 C ATOM 1316 CG HIS A 88 24.019 2.856 -0.667 1.00 0.00 C ATOM 1317 ND1 HIS A 88 24.917 3.851 -0.388 1.00 0.00 N ATOM 1318 CD2 HIS A 88 24.035 2.704 -2.013 1.00 0.00 C ATOM 1319 CE1 HIS A 88 25.439 4.268 -1.529 1.00 0.00 C ATOM 1320 NE2 HIS A 88 24.941 3.603 -2.558 1.00 0.00 N ATOM 0 H HIS A 88 22.804 0.012 2.305 1.00 0.00 H new ATOM 0 HA HIS A 88 23.166 0.261 -0.588 1.00 0.00 H new ATOM 0 HB2 HIS A 88 22.142 2.397 0.193 1.00 0.00 H new ATOM 0 HB3 HIS A 88 23.446 2.575 1.350 1.00 0.00 H new ATOM 0 HD2 HIS A 88 23.439 1.997 -2.572 1.00 0.00 H new ATOM 0 HE1 HIS A 88 26.178 5.052 -1.610 1.00 0.00 H new ATOM 0 HE2 HIS A 88 25.174 3.725 -3.544 1.00 0.00 H new TER 1328 HIS A 88