USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 594 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 53 SER OG : rot 18:sc= 1.09 USER MOD Set 1.2: A 56 GLN : amide:sc= -0.306 K(o=0.78,f=-7.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 28:sc= 0.516 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc=-0.00127 K(o=-0.0013,f=-0.63) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.6!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0326) USER MOD Single : A 21 GLN : amide:sc= -0.376 K(o=-0.38,f=-3.9!) USER MOD Single : A 25 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.486) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.43) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.91 X(o=-1.9,f=-2!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.33) USER MOD Single : A 54 GLN : amide:sc= -0.99 K(o=-0.99,f=-4!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 100:sc= -0.484 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -53:sc= 0.925 USER MOD Single : A 64 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0324) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.817 -15.047 4.557 1.00 0.00 N ATOM 2 CA GLY A 1 11.003 -14.051 5.596 1.00 0.00 C ATOM 3 C GLY A 1 12.345 -13.354 5.498 1.00 0.00 C ATOM 4 O GLY A 1 13.329 -13.799 6.090 1.00 0.00 O ATOM 0 H1 GLY A 1 9.885 -15.495 4.668 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.873 -14.590 3.624 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.560 -15.771 4.633 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.207 -13.310 5.531 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.915 -14.528 6.572 1.00 0.00 H new ATOM 8 N SER A 2 12.387 -12.259 4.746 1.00 0.00 N ATOM 9 CA SER A 2 13.621 -11.501 4.567 1.00 0.00 C ATOM 10 C SER A 2 13.711 -10.363 5.578 1.00 0.00 C ATOM 11 O SER A 2 12.793 -10.146 6.368 1.00 0.00 O ATOM 12 CB SER A 2 13.699 -10.943 3.144 1.00 0.00 C ATOM 13 OG SER A 2 15.045 -10.811 2.722 1.00 0.00 O ATOM 0 H SER A 2 11.581 -11.877 4.251 1.00 0.00 H new ATOM 0 HA SER A 2 14.461 -12.176 4.731 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.163 -11.603 2.461 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.205 -9.972 3.103 1.00 0.00 H new ATOM 0 HG SER A 2 15.068 -10.454 1.809 1.00 0.00 H new ATOM 19 N SER A 3 14.825 -9.638 5.546 1.00 0.00 N ATOM 20 CA SER A 3 15.038 -8.524 6.462 1.00 0.00 C ATOM 21 C SER A 3 15.440 -7.264 5.701 1.00 0.00 C ATOM 22 O SER A 3 16.473 -7.231 5.034 1.00 0.00 O ATOM 23 CB SER A 3 16.116 -8.879 7.488 1.00 0.00 C ATOM 24 OG SER A 3 17.367 -9.099 6.859 1.00 0.00 O ATOM 0 H SER A 3 15.593 -9.802 4.896 1.00 0.00 H new ATOM 0 HA SER A 3 14.100 -8.330 6.983 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.208 -8.073 8.216 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.819 -9.773 8.037 1.00 0.00 H new ATOM 0 HG SER A 3 17.415 -8.573 6.033 1.00 0.00 H new ATOM 30 N GLY A 4 14.613 -6.228 5.806 1.00 0.00 N ATOM 31 CA GLY A 4 14.898 -4.980 5.123 1.00 0.00 C ATOM 32 C GLY A 4 13.725 -4.020 5.157 1.00 0.00 C ATOM 33 O GLY A 4 13.398 -3.393 4.150 1.00 0.00 O ATOM 0 H GLY A 4 13.751 -6.231 6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.765 -4.507 5.584 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.163 -5.189 4.086 1.00 0.00 H new ATOM 37 N SER A 5 13.091 -3.904 6.320 1.00 0.00 N ATOM 38 CA SER A 5 11.944 -3.018 6.480 1.00 0.00 C ATOM 39 C SER A 5 12.211 -1.975 7.561 1.00 0.00 C ATOM 40 O SER A 5 12.007 -2.229 8.748 1.00 0.00 O ATOM 41 CB SER A 5 10.693 -3.825 6.831 1.00 0.00 C ATOM 42 OG SER A 5 10.285 -4.633 5.741 1.00 0.00 O ATOM 0 H SER A 5 13.352 -4.412 7.165 1.00 0.00 H new ATOM 0 HA SER A 5 11.780 -2.502 5.534 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.893 -4.454 7.699 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.885 -3.148 7.108 1.00 0.00 H new ATOM 0 HG SER A 5 9.485 -5.140 5.991 1.00 0.00 H new ATOM 48 N SER A 6 12.668 -0.799 7.141 1.00 0.00 N ATOM 49 CA SER A 6 12.967 0.282 8.073 1.00 0.00 C ATOM 50 C SER A 6 12.407 1.607 7.564 1.00 0.00 C ATOM 51 O SER A 6 12.233 1.800 6.362 1.00 0.00 O ATOM 52 CB SER A 6 14.477 0.400 8.283 1.00 0.00 C ATOM 53 OG SER A 6 15.141 0.683 7.063 1.00 0.00 O ATOM 0 H SER A 6 12.839 -0.571 6.162 1.00 0.00 H new ATOM 0 HA SER A 6 12.493 0.049 9.026 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.686 1.188 9.006 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.863 -0.529 8.704 1.00 0.00 H new ATOM 0 HG SER A 6 16.105 0.755 7.224 1.00 0.00 H new ATOM 59 N GLY A 7 12.128 2.519 8.491 1.00 0.00 N ATOM 60 CA GLY A 7 11.591 3.815 8.118 1.00 0.00 C ATOM 61 C GLY A 7 11.413 4.733 9.311 1.00 0.00 C ATOM 62 O GLY A 7 12.052 4.549 10.346 1.00 0.00 O ATOM 0 H GLY A 7 12.264 2.384 9.493 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.258 4.287 7.396 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.630 3.678 7.622 1.00 0.00 H new ATOM 66 N ASN A 8 10.541 5.726 9.166 1.00 0.00 N ATOM 67 CA ASN A 8 10.282 6.678 10.240 1.00 0.00 C ATOM 68 C ASN A 8 8.826 6.610 10.688 1.00 0.00 C ATOM 69 O ASN A 8 8.536 6.297 11.843 1.00 0.00 O ATOM 70 CB ASN A 8 10.620 8.099 9.782 1.00 0.00 C ATOM 71 CG ASN A 8 10.838 9.045 10.948 1.00 0.00 C ATOM 72 OD1 ASN A 8 9.923 9.307 11.728 1.00 0.00 O ATOM 73 ND2 ASN A 8 12.055 9.563 11.069 1.00 0.00 N ATOM 0 H ASN A 8 10.002 5.892 8.316 1.00 0.00 H new ATOM 0 HA ASN A 8 10.917 6.415 11.086 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.518 8.075 9.164 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.812 8.478 9.156 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.262 10.207 11.833 1.00 0.00 H new ATOM 0 HD22 ASN A 8 12.783 9.317 10.398 1.00 0.00 H new ATOM 80 N GLN A 9 7.914 6.903 9.766 1.00 0.00 N ATOM 81 CA GLN A 9 6.488 6.874 10.067 1.00 0.00 C ATOM 82 C GLN A 9 5.849 5.587 9.556 1.00 0.00 C ATOM 83 O GLN A 9 4.753 5.605 8.995 1.00 0.00 O ATOM 84 CB GLN A 9 5.789 8.085 9.446 1.00 0.00 C ATOM 85 CG GLN A 9 6.370 9.418 9.892 1.00 0.00 C ATOM 86 CD GLN A 9 5.759 10.595 9.159 1.00 0.00 C ATOM 87 OE1 GLN A 9 4.645 11.021 9.464 1.00 0.00 O ATOM 88 NE2 GLN A 9 6.488 11.129 8.185 1.00 0.00 N ATOM 0 H GLN A 9 8.137 7.163 8.805 1.00 0.00 H new ATOM 0 HA GLN A 9 6.371 6.911 11.150 1.00 0.00 H new ATOM 0 HB2 GLN A 9 5.855 8.015 8.360 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.730 8.055 9.704 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.210 9.539 10.963 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.448 9.413 9.729 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.407 10.744 7.966 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.129 11.924 7.657 1.00 0.00 H new ATOM 97 N LEU A 10 6.542 4.471 9.754 1.00 0.00 N ATOM 98 CA LEU A 10 6.042 3.173 9.312 1.00 0.00 C ATOM 99 C LEU A 10 4.583 2.985 9.716 1.00 0.00 C ATOM 100 O LEU A 10 4.157 3.449 10.773 1.00 0.00 O ATOM 101 CB LEU A 10 6.895 2.049 9.903 1.00 0.00 C ATOM 102 CG LEU A 10 7.026 0.786 9.050 1.00 0.00 C ATOM 103 CD1 LEU A 10 8.120 -0.117 9.597 1.00 0.00 C ATOM 104 CD2 LEU A 10 5.699 0.044 8.989 1.00 0.00 C ATOM 0 H LEU A 10 7.450 4.438 10.217 1.00 0.00 H new ATOM 0 HA LEU A 10 6.106 3.137 8.224 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.894 2.440 10.093 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.473 1.769 10.868 1.00 0.00 H new ATOM 0 HG LEU A 10 7.301 1.081 8.037 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.198 -1.010 8.977 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.071 0.416 9.587 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.876 -0.405 10.620 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.811 -0.852 8.378 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.394 -0.239 9.996 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.940 0.691 8.549 1.00 0.00 H new ATOM 116 N TRP A 11 3.825 2.300 8.868 1.00 0.00 N ATOM 117 CA TRP A 11 2.413 2.048 9.137 1.00 0.00 C ATOM 118 C TRP A 11 2.242 1.186 10.383 1.00 0.00 C ATOM 119 O TRP A 11 3.215 0.663 10.928 1.00 0.00 O ATOM 120 CB TRP A 11 1.757 1.366 7.936 1.00 0.00 C ATOM 121 CG TRP A 11 1.685 2.242 6.722 1.00 0.00 C ATOM 122 CD1 TRP A 11 2.675 3.044 6.230 1.00 0.00 C ATOM 123 CD2 TRP A 11 0.562 2.406 5.849 1.00 0.00 C ATOM 124 NE1 TRP A 11 2.235 3.697 5.103 1.00 0.00 N ATOM 125 CE2 TRP A 11 0.943 3.321 4.848 1.00 0.00 C ATOM 126 CE3 TRP A 11 -0.726 1.867 5.813 1.00 0.00 C ATOM 127 CZ2 TRP A 11 0.079 3.708 3.826 1.00 0.00 C ATOM 128 CZ3 TRP A 11 -1.582 2.252 4.799 1.00 0.00 C ATOM 129 CH2 TRP A 11 -1.176 3.165 3.816 1.00 0.00 C ATOM 0 H TRP A 11 4.163 1.909 7.989 1.00 0.00 H new ATOM 0 HA TRP A 11 1.925 3.007 9.312 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.315 0.462 7.691 1.00 0.00 H new ATOM 0 HB3 TRP A 11 0.749 1.054 8.210 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.659 3.150 6.663 1.00 0.00 H new ATOM 0 HE1 TRP A 11 2.782 4.355 4.547 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -1.047 1.161 6.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.389 4.412 3.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.581 1.843 4.763 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.868 3.445 3.035 1.00 0.00 H new ATOM 140 N THR A 12 0.999 1.040 10.831 1.00 0.00 N ATOM 141 CA THR A 12 0.701 0.241 12.013 1.00 0.00 C ATOM 142 C THR A 12 -0.208 -0.933 11.668 1.00 0.00 C ATOM 143 O THR A 12 -1.041 -0.843 10.766 1.00 0.00 O ATOM 144 CB THR A 12 0.030 1.090 13.109 1.00 0.00 C ATOM 145 OG1 THR A 12 0.078 0.398 14.362 1.00 0.00 O ATOM 146 CG2 THR A 12 -1.415 1.396 12.748 1.00 0.00 C ATOM 0 H THR A 12 0.182 1.465 10.393 1.00 0.00 H new ATOM 0 HA THR A 12 1.652 -0.137 12.387 1.00 0.00 H new ATOM 0 HB THR A 12 0.574 2.031 13.193 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.349 0.945 15.054 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.868 1.997 13.537 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.446 1.948 11.809 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.968 0.463 12.639 1.00 0.00 H new ATOM 154 N VAL A 13 -0.043 -2.036 12.392 1.00 0.00 N ATOM 155 CA VAL A 13 -0.850 -3.228 12.164 1.00 0.00 C ATOM 156 C VAL A 13 -2.264 -2.860 11.731 1.00 0.00 C ATOM 157 O VAL A 13 -2.779 -3.387 10.746 1.00 0.00 O ATOM 158 CB VAL A 13 -0.923 -4.106 13.428 1.00 0.00 C ATOM 159 CG1 VAL A 13 -1.880 -5.270 13.215 1.00 0.00 C ATOM 160 CG2 VAL A 13 0.462 -4.607 13.809 1.00 0.00 C ATOM 0 H VAL A 13 0.643 -2.128 13.142 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.365 -3.791 11.367 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.304 -3.499 14.250 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.919 -5.879 14.118 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.876 -4.886 12.993 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.532 -5.879 12.381 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.392 -5.225 14.704 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.873 -5.198 12.991 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.115 -3.757 14.006 1.00 0.00 H new ATOM 170 N GLU A 14 -2.887 -1.951 12.475 1.00 0.00 N ATOM 171 CA GLU A 14 -4.243 -1.513 12.167 1.00 0.00 C ATOM 172 C GLU A 14 -4.350 -1.049 10.718 1.00 0.00 C ATOM 173 O GLU A 14 -5.102 -1.618 9.927 1.00 0.00 O ATOM 174 CB GLU A 14 -4.663 -0.382 13.108 1.00 0.00 C ATOM 175 CG GLU A 14 -4.757 -0.804 14.565 1.00 0.00 C ATOM 176 CD GLU A 14 -5.535 0.185 15.411 1.00 0.00 C ATOM 177 OE1 GLU A 14 -6.356 0.935 14.843 1.00 0.00 O ATOM 178 OE2 GLU A 14 -5.322 0.209 16.641 1.00 0.00 O ATOM 0 H GLU A 14 -2.475 -1.504 13.294 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.912 -2.362 12.308 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.948 0.436 13.021 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.630 0.005 12.788 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.234 -1.782 14.626 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.752 -0.914 14.973 1.00 0.00 H new ATOM 185 N GLU A 15 -3.590 -0.012 10.377 1.00 0.00 N ATOM 186 CA GLU A 15 -3.601 0.529 9.023 1.00 0.00 C ATOM 187 C GLU A 15 -3.257 -0.553 8.002 1.00 0.00 C ATOM 188 O GLU A 15 -3.868 -0.631 6.937 1.00 0.00 O ATOM 189 CB GLU A 15 -2.610 1.689 8.906 1.00 0.00 C ATOM 190 CG GLU A 15 -3.057 2.947 9.631 1.00 0.00 C ATOM 191 CD GLU A 15 -4.420 3.430 9.174 1.00 0.00 C ATOM 192 OE1 GLU A 15 -5.431 2.813 9.570 1.00 0.00 O ATOM 193 OE2 GLU A 15 -4.475 4.425 8.421 1.00 0.00 O ATOM 0 H GLU A 15 -2.960 0.469 11.019 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.606 0.896 8.814 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.646 1.373 9.304 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.459 1.922 7.852 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.085 2.753 10.703 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.323 3.736 9.468 1.00 0.00 H new ATOM 200 N GLN A 16 -2.275 -1.383 8.337 1.00 0.00 N ATOM 201 CA GLN A 16 -1.849 -2.459 7.449 1.00 0.00 C ATOM 202 C GLN A 16 -3.047 -3.259 6.950 1.00 0.00 C ATOM 203 O GLN A 16 -3.365 -3.245 5.761 1.00 0.00 O ATOM 204 CB GLN A 16 -0.867 -3.384 8.170 1.00 0.00 C ATOM 205 CG GLN A 16 0.554 -2.846 8.216 1.00 0.00 C ATOM 206 CD GLN A 16 1.477 -3.708 9.055 1.00 0.00 C ATOM 207 OE1 GLN A 16 1.025 -4.556 9.824 1.00 0.00 O ATOM 208 NE2 GLN A 16 2.780 -3.494 8.912 1.00 0.00 N ATOM 0 H GLN A 16 -1.760 -1.332 9.216 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.351 -2.011 6.589 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.217 -3.549 9.189 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.863 -4.354 7.673 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.947 -2.780 7.201 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.542 -1.833 8.619 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.111 -2.780 8.263 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.449 -4.043 9.451 1.00 0.00 H new ATOM 217 N LYS A 17 -3.710 -3.957 7.866 1.00 0.00 N ATOM 218 CA LYS A 17 -4.874 -4.763 7.520 1.00 0.00 C ATOM 219 C LYS A 17 -5.971 -3.899 6.907 1.00 0.00 C ATOM 220 O LYS A 17 -6.627 -4.300 5.945 1.00 0.00 O ATOM 221 CB LYS A 17 -5.410 -5.481 8.761 1.00 0.00 C ATOM 222 CG LYS A 17 -5.912 -4.538 9.840 1.00 0.00 C ATOM 223 CD LYS A 17 -6.279 -5.288 11.110 1.00 0.00 C ATOM 224 CE LYS A 17 -5.086 -5.420 12.044 1.00 0.00 C ATOM 225 NZ LYS A 17 -5.477 -5.977 13.369 1.00 0.00 N ATOM 0 H LYS A 17 -3.460 -3.980 8.855 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.565 -5.505 6.783 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.222 -6.145 8.464 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.621 -6.108 9.177 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.144 -3.797 10.063 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.783 -3.994 9.473 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.087 -4.765 11.622 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.653 -6.279 10.853 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.336 -6.065 11.586 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.624 -4.443 12.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.636 -6.051 13.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.174 -5.349 13.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.895 -6.921 13.239 1.00 0.00 H new ATOM 239 N LYS A 18 -6.165 -2.711 7.468 1.00 0.00 N ATOM 240 CA LYS A 18 -7.181 -1.788 6.975 1.00 0.00 C ATOM 241 C LYS A 18 -6.990 -1.513 5.487 1.00 0.00 C ATOM 242 O LYS A 18 -7.954 -1.491 4.720 1.00 0.00 O ATOM 243 CB LYS A 18 -7.129 -0.474 7.759 1.00 0.00 C ATOM 244 CG LYS A 18 -8.240 0.495 7.394 1.00 0.00 C ATOM 245 CD LYS A 18 -8.486 1.505 8.503 1.00 0.00 C ATOM 246 CE LYS A 18 -9.457 2.590 8.064 1.00 0.00 C ATOM 247 NZ LYS A 18 -10.804 2.036 7.754 1.00 0.00 N ATOM 0 H LYS A 18 -5.632 -2.364 8.265 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.157 -2.251 7.118 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.186 -0.694 8.825 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.167 0.007 7.583 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.979 1.019 6.475 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.157 -0.060 7.196 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.882 0.994 9.380 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.540 1.960 8.799 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.545 3.339 8.851 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.061 3.097 7.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.455 2.814 7.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.735 1.391 6.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.164 1.516 8.580 1.00 0.00 H new ATOM 261 N LEU A 19 -5.741 -1.304 5.085 1.00 0.00 N ATOM 262 CA LEU A 19 -5.423 -1.031 3.687 1.00 0.00 C ATOM 263 C LEU A 19 -5.763 -2.230 2.808 1.00 0.00 C ATOM 264 O LEU A 19 -6.582 -2.129 1.894 1.00 0.00 O ATOM 265 CB LEU A 19 -3.942 -0.680 3.540 1.00 0.00 C ATOM 266 CG LEU A 19 -3.390 -0.683 2.114 1.00 0.00 C ATOM 267 CD1 LEU A 19 -4.000 0.450 1.303 1.00 0.00 C ATOM 268 CD2 LEU A 19 -1.872 -0.573 2.129 1.00 0.00 C ATOM 0 H LEU A 19 -4.932 -1.318 5.707 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.025 -0.183 3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.779 0.309 3.969 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.361 -1.385 4.135 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.661 -1.627 1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.595 0.432 0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.082 0.327 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.760 1.404 1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.497 -0.577 1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.579 0.355 2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.451 -1.419 2.673 1.00 0.00 H new ATOM 280 N GLU A 20 -5.131 -3.365 3.091 1.00 0.00 N ATOM 281 CA GLU A 20 -5.368 -4.583 2.326 1.00 0.00 C ATOM 282 C GLU A 20 -6.834 -4.692 1.918 1.00 0.00 C ATOM 283 O GLU A 20 -7.147 -5.032 0.777 1.00 0.00 O ATOM 284 CB GLU A 20 -4.962 -5.812 3.143 1.00 0.00 C ATOM 285 CG GLU A 20 -3.486 -5.842 3.503 1.00 0.00 C ATOM 286 CD GLU A 20 -3.198 -6.718 4.707 1.00 0.00 C ATOM 287 OE1 GLU A 20 -3.553 -7.915 4.668 1.00 0.00 O ATOM 288 OE2 GLU A 20 -2.617 -6.207 5.687 1.00 0.00 O ATOM 0 H GLU A 20 -4.451 -3.466 3.845 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.759 -4.539 1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.552 -5.840 4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.208 -6.711 2.578 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.915 -6.205 2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.145 -4.827 3.707 1.00 0.00 H new ATOM 295 N GLN A 21 -7.728 -4.402 2.859 1.00 0.00 N ATOM 296 CA GLN A 21 -9.160 -4.468 2.597 1.00 0.00 C ATOM 297 C GLN A 21 -9.573 -3.433 1.557 1.00 0.00 C ATOM 298 O GLN A 21 -10.100 -3.776 0.498 1.00 0.00 O ATOM 299 CB GLN A 21 -9.947 -4.250 3.891 1.00 0.00 C ATOM 300 CG GLN A 21 -9.815 -5.394 4.883 1.00 0.00 C ATOM 301 CD GLN A 21 -10.694 -6.578 4.529 1.00 0.00 C ATOM 302 OE1 GLN A 21 -10.793 -6.966 3.365 1.00 0.00 O ATOM 303 NE2 GLN A 21 -11.338 -7.159 5.534 1.00 0.00 N ATOM 0 H GLN A 21 -7.485 -4.119 3.809 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.386 -5.459 2.204 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.605 -3.329 4.364 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.000 -4.111 3.647 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.775 -5.717 4.922 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.076 -5.038 5.880 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -11.227 -6.804 6.484 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.944 -7.960 5.356 1.00 0.00 H new ATOM 312 N LEU A 22 -9.330 -2.163 1.864 1.00 0.00 N ATOM 313 CA LEU A 22 -9.676 -1.076 0.955 1.00 0.00 C ATOM 314 C LEU A 22 -9.276 -1.415 -0.477 1.00 0.00 C ATOM 315 O LEU A 22 -10.079 -1.291 -1.403 1.00 0.00 O ATOM 316 CB LEU A 22 -8.992 0.220 1.395 1.00 0.00 C ATOM 317 CG LEU A 22 -9.438 0.791 2.741 1.00 0.00 C ATOM 318 CD1 LEU A 22 -8.305 1.570 3.392 1.00 0.00 C ATOM 319 CD2 LEU A 22 -10.664 1.675 2.566 1.00 0.00 C ATOM 0 H LEU A 22 -8.895 -1.861 2.736 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.757 -0.938 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.917 0.044 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.162 0.976 0.628 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.704 -0.039 3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.641 1.969 4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.454 0.908 3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.007 2.392 2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.967 2.073 3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.425 2.499 1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.479 1.087 2.144 1.00 0.00 H new ATOM 331 N LEU A 23 -8.032 -1.846 -0.652 1.00 0.00 N ATOM 332 CA LEU A 23 -7.525 -2.206 -1.972 1.00 0.00 C ATOM 333 C LEU A 23 -8.595 -2.924 -2.788 1.00 0.00 C ATOM 334 O LEU A 23 -8.832 -2.589 -3.949 1.00 0.00 O ATOM 335 CB LEU A 23 -6.287 -3.094 -1.840 1.00 0.00 C ATOM 336 CG LEU A 23 -4.968 -2.371 -1.567 1.00 0.00 C ATOM 337 CD1 LEU A 23 -3.950 -3.326 -0.962 1.00 0.00 C ATOM 338 CD2 LEU A 23 -4.426 -1.751 -2.847 1.00 0.00 C ATOM 0 H LEU A 23 -7.355 -1.955 0.103 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.252 -1.288 -2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.461 -3.807 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.179 -3.671 -2.759 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.155 -1.572 -0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.018 -2.793 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.336 -3.722 -0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.766 -4.148 -1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.487 -1.240 -2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.254 -2.534 -3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.148 -1.034 -3.238 1.00 0.00 H new ATOM 350 N ILE A 24 -9.239 -3.910 -2.174 1.00 0.00 N ATOM 351 CA ILE A 24 -10.286 -4.672 -2.843 1.00 0.00 C ATOM 352 C ILE A 24 -11.503 -3.800 -3.130 1.00 0.00 C ATOM 353 O ILE A 24 -11.971 -3.722 -4.266 1.00 0.00 O ATOM 354 CB ILE A 24 -10.725 -5.885 -2.001 1.00 0.00 C ATOM 355 CG1 ILE A 24 -9.533 -6.807 -1.735 1.00 0.00 C ATOM 356 CG2 ILE A 24 -11.841 -6.643 -2.705 1.00 0.00 C ATOM 357 CD1 ILE A 24 -9.638 -7.570 -0.433 1.00 0.00 C ATOM 0 H ILE A 24 -9.054 -4.200 -1.214 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.866 -5.026 -3.784 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.104 -5.526 -1.044 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.443 -7.517 -2.557 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.619 -6.213 -1.726 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.140 -7.497 -2.098 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.696 -5.982 -2.848 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.487 -6.993 -3.675 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.759 -8.203 -0.310 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.697 -6.866 0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -10.534 -8.191 -0.447 1.00 0.00 H new ATOM 369 N LYS A 25 -12.010 -3.142 -2.093 1.00 0.00 N ATOM 370 CA LYS A 25 -13.171 -2.271 -2.233 1.00 0.00 C ATOM 371 C LYS A 25 -12.987 -1.300 -3.395 1.00 0.00 C ATOM 372 O LYS A 25 -13.920 -1.045 -4.157 1.00 0.00 O ATOM 373 CB LYS A 25 -13.410 -1.492 -0.937 1.00 0.00 C ATOM 374 CG LYS A 25 -14.449 -0.393 -1.071 1.00 0.00 C ATOM 375 CD LYS A 25 -14.211 0.723 -0.067 1.00 0.00 C ATOM 376 CE LYS A 25 -14.796 0.381 1.295 1.00 0.00 C ATOM 377 NZ LYS A 25 -14.395 1.370 2.335 1.00 0.00 N ATOM 0 H LYS A 25 -11.635 -3.195 -1.146 1.00 0.00 H new ATOM 0 HA LYS A 25 -14.039 -2.897 -2.439 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.726 -2.186 -0.159 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.468 -1.052 -0.608 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.422 0.014 -2.082 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.444 -0.812 -0.922 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.141 0.904 0.031 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.658 1.646 -0.435 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.883 0.348 1.225 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.465 -0.614 1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.249 0.881 3.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.511 1.837 2.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.144 2.083 2.443 1.00 0.00 H new ATOM 391 N TYR A 26 -11.779 -0.764 -3.525 1.00 0.00 N ATOM 392 CA TYR A 26 -11.473 0.179 -4.594 1.00 0.00 C ATOM 393 C TYR A 26 -10.728 -0.511 -5.733 1.00 0.00 C ATOM 394 O TYR A 26 -9.518 -0.731 -5.674 1.00 0.00 O ATOM 395 CB TYR A 26 -10.638 1.342 -4.054 1.00 0.00 C ATOM 396 CG TYR A 26 -11.439 2.340 -3.250 1.00 0.00 C ATOM 397 CD1 TYR A 26 -12.114 3.382 -3.874 1.00 0.00 C ATOM 398 CD2 TYR A 26 -11.521 2.243 -1.866 1.00 0.00 C ATOM 399 CE1 TYR A 26 -12.847 4.298 -3.143 1.00 0.00 C ATOM 400 CE2 TYR A 26 -12.253 3.152 -1.128 1.00 0.00 C ATOM 401 CZ TYR A 26 -12.914 4.178 -1.771 1.00 0.00 C ATOM 402 OH TYR A 26 -13.642 5.087 -1.039 1.00 0.00 O ATOM 0 H TYR A 26 -10.996 -0.966 -2.904 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.415 0.566 -4.982 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.837 0.945 -3.430 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.165 1.857 -4.890 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.065 3.478 -4.949 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.003 1.442 -1.359 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.364 5.103 -3.644 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.308 3.060 -0.053 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.587 4.860 -0.087 1.00 0.00 H new ATOM 412 N PRO A 27 -11.467 -0.860 -6.796 1.00 0.00 N ATOM 413 CA PRO A 27 -10.898 -1.529 -7.970 1.00 0.00 C ATOM 414 C PRO A 27 -9.992 -0.608 -8.780 1.00 0.00 C ATOM 415 O PRO A 27 -9.932 0.600 -8.553 1.00 0.00 O ATOM 416 CB PRO A 27 -12.132 -1.920 -8.788 1.00 0.00 C ATOM 417 CG PRO A 27 -13.181 -0.944 -8.381 1.00 0.00 C ATOM 418 CD PRO A 27 -12.915 -0.629 -6.935 1.00 0.00 C ATOM 0 HA PRO A 27 -10.268 -2.374 -7.692 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -11.932 -1.863 -9.858 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.440 -2.944 -8.575 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.133 -0.043 -8.992 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -14.178 -1.365 -8.512 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.183 0.399 -6.692 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.490 -1.274 -6.271 1.00 0.00 H new ATOM 426 N PRO A 28 -9.269 -1.190 -9.748 1.00 0.00 N ATOM 427 CA PRO A 28 -8.353 -0.439 -10.612 1.00 0.00 C ATOM 428 C PRO A 28 -9.091 0.479 -11.580 1.00 0.00 C ATOM 429 O PRO A 28 -10.305 0.368 -11.751 1.00 0.00 O ATOM 430 CB PRO A 28 -7.609 -1.536 -11.378 1.00 0.00 C ATOM 431 CG PRO A 28 -8.540 -2.698 -11.376 1.00 0.00 C ATOM 432 CD PRO A 28 -9.290 -2.626 -10.075 1.00 0.00 C ATOM 0 HA PRO A 28 -7.699 0.219 -10.039 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -7.374 -1.219 -12.394 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.664 -1.785 -10.895 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.224 -2.652 -12.224 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.992 -3.637 -11.459 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.309 -3.000 -10.177 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.808 -3.222 -9.300 1.00 0.00 H new ATOM 440 N GLU A 29 -8.350 1.385 -12.211 1.00 0.00 N ATOM 441 CA GLU A 29 -8.937 2.323 -13.161 1.00 0.00 C ATOM 442 C GLU A 29 -7.885 2.830 -14.144 1.00 0.00 C ATOM 443 O GLU A 29 -6.722 2.432 -14.084 1.00 0.00 O ATOM 444 CB GLU A 29 -9.571 3.503 -12.422 1.00 0.00 C ATOM 445 CG GLU A 29 -8.733 4.016 -11.263 1.00 0.00 C ATOM 446 CD GLU A 29 -8.561 2.984 -10.166 1.00 0.00 C ATOM 447 OE1 GLU A 29 -9.492 2.825 -9.349 1.00 0.00 O ATOM 448 OE2 GLU A 29 -7.495 2.335 -10.124 1.00 0.00 O ATOM 0 H GLU A 29 -7.344 1.489 -12.082 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.710 1.797 -13.721 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.736 4.317 -13.128 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.549 3.203 -12.047 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.752 4.314 -11.633 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.202 4.908 -10.847 1.00 0.00 H new ATOM 455 N GLU A 30 -8.304 3.710 -15.048 1.00 0.00 N ATOM 456 CA GLU A 30 -7.399 4.270 -16.045 1.00 0.00 C ATOM 457 C GLU A 30 -6.301 5.095 -15.380 1.00 0.00 C ATOM 458 O GLU A 30 -5.135 5.025 -15.768 1.00 0.00 O ATOM 459 CB GLU A 30 -8.173 5.137 -17.039 1.00 0.00 C ATOM 460 CG GLU A 30 -9.153 6.093 -16.379 1.00 0.00 C ATOM 461 CD GLU A 30 -9.666 7.154 -17.333 1.00 0.00 C ATOM 462 OE1 GLU A 30 -8.859 7.670 -18.135 1.00 0.00 O ATOM 463 OE2 GLU A 30 -10.872 7.470 -17.278 1.00 0.00 O ATOM 0 H GLU A 30 -9.264 4.050 -15.110 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.934 3.443 -16.582 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.464 5.711 -17.636 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.717 4.489 -17.726 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.996 5.527 -15.984 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.668 6.576 -15.531 1.00 0.00 H new ATOM 470 N VAL A 31 -6.684 5.878 -14.376 1.00 0.00 N ATOM 471 CA VAL A 31 -5.733 6.717 -13.656 1.00 0.00 C ATOM 472 C VAL A 31 -5.287 6.053 -12.359 1.00 0.00 C ATOM 473 O VAL A 31 -6.084 5.863 -11.441 1.00 0.00 O ATOM 474 CB VAL A 31 -6.336 8.098 -13.333 1.00 0.00 C ATOM 475 CG1 VAL A 31 -5.299 8.990 -12.667 1.00 0.00 C ATOM 476 CG2 VAL A 31 -6.881 8.749 -14.595 1.00 0.00 C ATOM 0 H VAL A 31 -7.646 5.949 -14.043 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.870 6.849 -14.308 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.163 7.961 -12.637 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.742 9.961 -12.446 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.961 8.526 -11.740 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.449 9.123 -13.337 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.303 9.723 -14.349 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.074 8.875 -15.317 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.657 8.116 -15.025 1.00 0.00 H new ATOM 486 N GLU A 32 -4.006 5.703 -12.290 1.00 0.00 N ATOM 487 CA GLU A 32 -3.453 5.059 -11.104 1.00 0.00 C ATOM 488 C GLU A 32 -3.101 6.093 -10.038 1.00 0.00 C ATOM 489 O GLU A 32 -2.079 5.979 -9.361 1.00 0.00 O ATOM 490 CB GLU A 32 -2.211 4.245 -11.470 1.00 0.00 C ATOM 491 CG GLU A 32 -1.994 3.033 -10.580 1.00 0.00 C ATOM 492 CD GLU A 32 -2.850 1.849 -10.986 1.00 0.00 C ATOM 493 OE1 GLU A 32 -3.040 1.645 -12.204 1.00 0.00 O ATOM 494 OE2 GLU A 32 -3.331 1.128 -10.088 1.00 0.00 O ATOM 0 H GLU A 32 -3.332 5.854 -13.041 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.211 4.388 -10.699 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.296 3.915 -12.505 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.334 4.890 -11.412 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.943 2.745 -10.614 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.218 3.301 -9.547 1.00 0.00 H new ATOM 501 N SER A 33 -3.954 7.102 -9.896 1.00 0.00 N ATOM 502 CA SER A 33 -3.732 8.159 -8.916 1.00 0.00 C ATOM 503 C SER A 33 -4.967 8.360 -8.043 1.00 0.00 C ATOM 504 O SER A 33 -4.890 8.296 -6.816 1.00 0.00 O ATOM 505 CB SER A 33 -3.373 9.469 -9.621 1.00 0.00 C ATOM 506 OG SER A 33 -3.348 10.550 -8.705 1.00 0.00 O ATOM 0 H SER A 33 -4.805 7.210 -10.447 1.00 0.00 H new ATOM 0 HA SER A 33 -2.902 7.859 -8.276 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.399 9.372 -10.101 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.098 9.672 -10.409 1.00 0.00 H new ATOM 0 HG SER A 33 -3.115 11.375 -9.179 1.00 0.00 H new ATOM 512 N ARG A 34 -6.104 8.603 -8.686 1.00 0.00 N ATOM 513 CA ARG A 34 -7.356 8.815 -7.969 1.00 0.00 C ATOM 514 C ARG A 34 -7.653 7.644 -7.036 1.00 0.00 C ATOM 515 O ARG A 34 -8.258 7.819 -5.979 1.00 0.00 O ATOM 516 CB ARG A 34 -8.510 8.998 -8.958 1.00 0.00 C ATOM 517 CG ARG A 34 -8.556 7.936 -10.044 1.00 0.00 C ATOM 518 CD ARG A 34 -9.820 8.048 -10.880 1.00 0.00 C ATOM 519 NE ARG A 34 -9.647 8.950 -12.016 1.00 0.00 N ATOM 520 CZ ARG A 34 -10.656 9.534 -12.652 1.00 0.00 C ATOM 521 NH1 ARG A 34 -11.905 9.313 -12.264 1.00 0.00 N ATOM 522 NH2 ARG A 34 -10.418 10.341 -13.677 1.00 0.00 N ATOM 0 H ARG A 34 -6.184 8.658 -9.701 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.254 9.719 -7.369 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -9.452 8.986 -8.410 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.425 9.979 -9.425 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.682 8.035 -10.688 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.506 6.947 -9.589 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.104 7.060 -11.242 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.638 8.406 -10.254 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.699 9.142 -12.339 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.092 8.693 -11.476 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.678 9.763 -12.754 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.459 10.514 -13.978 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.194 10.789 -14.164 1.00 0.00 H new ATOM 536 N ARG A 35 -7.223 6.452 -7.436 1.00 0.00 N ATOM 537 CA ARG A 35 -7.444 5.253 -6.636 1.00 0.00 C ATOM 538 C ARG A 35 -6.762 5.373 -5.277 1.00 0.00 C ATOM 539 O ARG A 35 -7.340 5.021 -4.248 1.00 0.00 O ATOM 540 CB ARG A 35 -6.922 4.019 -7.374 1.00 0.00 C ATOM 541 CG ARG A 35 -6.952 2.751 -6.537 1.00 0.00 C ATOM 542 CD ARG A 35 -6.412 1.559 -7.312 1.00 0.00 C ATOM 543 NE ARG A 35 -6.394 0.343 -6.503 1.00 0.00 N ATOM 544 CZ ARG A 35 -6.267 -0.877 -7.013 1.00 0.00 C ATOM 545 NH1 ARG A 35 -6.147 -1.042 -8.323 1.00 0.00 N ATOM 546 NH2 ARG A 35 -6.260 -1.935 -6.212 1.00 0.00 N ATOM 0 H ARG A 35 -6.720 6.291 -8.309 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.517 5.145 -6.476 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.518 3.865 -8.273 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.898 4.206 -7.698 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.361 2.897 -5.633 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.975 2.547 -6.220 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.024 1.395 -8.199 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.402 1.779 -7.658 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.484 0.436 -5.491 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.152 -0.231 -8.942 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.050 -1.980 -8.712 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.352 -1.812 -5.204 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.162 -2.871 -6.605 1.00 0.00 H new ATOM 560 N TRP A 36 -5.531 5.870 -5.280 1.00 0.00 N ATOM 561 CA TRP A 36 -4.770 6.036 -4.047 1.00 0.00 C ATOM 562 C TRP A 36 -5.380 7.125 -3.173 1.00 0.00 C ATOM 563 O TRP A 36 -5.497 6.965 -1.958 1.00 0.00 O ATOM 564 CB TRP A 36 -3.313 6.376 -4.364 1.00 0.00 C ATOM 565 CG TRP A 36 -2.714 5.497 -5.420 1.00 0.00 C ATOM 566 CD1 TRP A 36 -2.009 5.899 -6.518 1.00 0.00 C ATOM 567 CD2 TRP A 36 -2.770 4.067 -5.478 1.00 0.00 C ATOM 568 NE1 TRP A 36 -1.623 4.805 -7.256 1.00 0.00 N ATOM 569 CE2 TRP A 36 -2.077 3.670 -6.638 1.00 0.00 C ATOM 570 CE3 TRP A 36 -3.336 3.084 -4.662 1.00 0.00 C ATOM 571 CZ2 TRP A 36 -1.937 2.333 -7.001 1.00 0.00 C ATOM 572 CZ3 TRP A 36 -3.197 1.758 -5.023 1.00 0.00 C ATOM 573 CH2 TRP A 36 -2.502 1.392 -6.183 1.00 0.00 C ATOM 0 H TRP A 36 -5.038 6.165 -6.123 1.00 0.00 H new ATOM 0 HA TRP A 36 -4.805 5.094 -3.499 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.252 7.415 -4.689 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.721 6.292 -3.453 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -1.787 6.926 -6.770 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.086 4.834 -8.123 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.873 3.356 -3.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.402 2.049 -7.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.632 0.990 -4.400 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.410 0.346 -6.437 1.00 0.00 H new ATOM 584 N GLN A 37 -5.768 8.232 -3.798 1.00 0.00 N ATOM 585 CA GLN A 37 -6.366 9.348 -3.075 1.00 0.00 C ATOM 586 C GLN A 37 -7.576 8.888 -2.268 1.00 0.00 C ATOM 587 O GLN A 37 -7.664 9.136 -1.065 1.00 0.00 O ATOM 588 CB GLN A 37 -6.779 10.452 -4.049 1.00 0.00 C ATOM 589 CG GLN A 37 -6.855 11.830 -3.411 1.00 0.00 C ATOM 590 CD GLN A 37 -5.489 12.388 -3.063 1.00 0.00 C ATOM 591 OE1 GLN A 37 -4.770 12.888 -3.929 1.00 0.00 O ATOM 592 NE2 GLN A 37 -5.122 12.304 -1.789 1.00 0.00 N ATOM 0 H GLN A 37 -5.679 8.380 -4.803 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.620 9.742 -2.385 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.067 10.482 -4.874 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.751 10.204 -4.475 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.360 12.514 -4.093 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.462 11.775 -2.507 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.749 11.882 -1.104 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.213 12.662 -1.495 1.00 0.00 H new ATOM 601 N LYS A 38 -8.507 8.216 -2.937 1.00 0.00 N ATOM 602 CA LYS A 38 -9.712 7.719 -2.283 1.00 0.00 C ATOM 603 C LYS A 38 -9.359 6.859 -1.074 1.00 0.00 C ATOM 604 O LYS A 38 -9.808 7.126 0.041 1.00 0.00 O ATOM 605 CB LYS A 38 -10.555 6.910 -3.270 1.00 0.00 C ATOM 606 CG LYS A 38 -11.298 7.766 -4.281 1.00 0.00 C ATOM 607 CD LYS A 38 -11.908 6.921 -5.387 1.00 0.00 C ATOM 608 CE LYS A 38 -10.946 6.749 -6.552 1.00 0.00 C ATOM 609 NZ LYS A 38 -11.413 5.708 -7.508 1.00 0.00 N ATOM 0 H LYS A 38 -8.450 8.003 -3.933 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.290 8.577 -1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.907 6.214 -3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.276 6.312 -2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.084 8.328 -3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.613 8.495 -4.715 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.180 5.943 -4.991 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.827 7.389 -5.739 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.836 7.699 -7.075 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.961 6.478 -6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.730 5.621 -8.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.494 4.796 -7.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.342 5.979 -7.890 1.00 0.00 H new ATOM 623 N ILE A 39 -8.553 5.828 -1.302 1.00 0.00 N ATOM 624 CA ILE A 39 -8.139 4.931 -0.230 1.00 0.00 C ATOM 625 C ILE A 39 -7.505 5.705 0.920 1.00 0.00 C ATOM 626 O ILE A 39 -7.835 5.486 2.085 1.00 0.00 O ATOM 627 CB ILE A 39 -7.140 3.873 -0.736 1.00 0.00 C ATOM 628 CG1 ILE A 39 -7.812 2.950 -1.753 1.00 0.00 C ATOM 629 CG2 ILE A 39 -6.583 3.070 0.431 1.00 0.00 C ATOM 630 CD1 ILE A 39 -6.842 2.306 -2.719 1.00 0.00 C ATOM 0 H ILE A 39 -8.174 5.593 -2.219 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.038 4.428 0.126 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.312 4.383 -1.229 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.354 2.169 -1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.549 3.521 -2.318 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.879 2.326 0.058 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.071 3.740 1.122 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.400 2.568 0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.389 1.665 -3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.318 3.081 -3.279 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.119 1.708 -2.164 1.00 0.00 H new ATOM 642 N ALA A 40 -6.594 6.612 0.584 1.00 0.00 N ATOM 643 CA ALA A 40 -5.916 7.422 1.589 1.00 0.00 C ATOM 644 C ALA A 40 -6.917 8.061 2.545 1.00 0.00 C ATOM 645 O ALA A 40 -6.807 7.914 3.763 1.00 0.00 O ATOM 646 CB ALA A 40 -5.066 8.491 0.919 1.00 0.00 C ATOM 0 H ALA A 40 -6.308 6.805 -0.376 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.266 6.768 2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.566 9.088 1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.320 8.016 0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.703 9.135 0.313 1.00 0.00 H new ATOM 652 N ASP A 41 -7.890 8.772 1.987 1.00 0.00 N ATOM 653 CA ASP A 41 -8.911 9.434 2.791 1.00 0.00 C ATOM 654 C ASP A 41 -9.542 8.458 3.779 1.00 0.00 C ATOM 655 O ASP A 41 -9.748 8.789 4.946 1.00 0.00 O ATOM 656 CB ASP A 41 -9.990 10.035 1.889 1.00 0.00 C ATOM 657 CG ASP A 41 -10.676 11.229 2.523 1.00 0.00 C ATOM 658 OD1 ASP A 41 -9.964 12.128 3.019 1.00 0.00 O ATOM 659 OD2 ASP A 41 -11.924 11.266 2.522 1.00 0.00 O ATOM 0 H ASP A 41 -7.994 8.905 0.981 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.432 10.235 3.355 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.541 10.338 0.943 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.734 9.272 1.659 1.00 0.00 H new ATOM 664 N GLU A 42 -9.847 7.255 3.303 1.00 0.00 N ATOM 665 CA GLU A 42 -10.456 6.232 4.145 1.00 0.00 C ATOM 666 C GLU A 42 -9.513 5.823 5.273 1.00 0.00 C ATOM 667 O GLU A 42 -9.922 5.710 6.429 1.00 0.00 O ATOM 668 CB GLU A 42 -10.830 5.007 3.308 1.00 0.00 C ATOM 669 CG GLU A 42 -12.188 5.120 2.637 1.00 0.00 C ATOM 670 CD GLU A 42 -13.288 5.508 3.606 1.00 0.00 C ATOM 671 OE1 GLU A 42 -13.435 4.825 4.641 1.00 0.00 O ATOM 672 OE2 GLU A 42 -14.001 6.495 3.329 1.00 0.00 O ATOM 0 H GLU A 42 -9.682 6.965 2.339 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.360 6.652 4.585 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.068 4.853 2.544 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.822 4.124 3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.134 5.861 1.839 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.439 4.167 2.171 1.00 0.00 H new ATOM 679 N LEU A 43 -8.249 5.603 4.928 1.00 0.00 N ATOM 680 CA LEU A 43 -7.246 5.206 5.910 1.00 0.00 C ATOM 681 C LEU A 43 -7.251 6.151 7.107 1.00 0.00 C ATOM 682 O LEU A 43 -7.095 5.724 8.249 1.00 0.00 O ATOM 683 CB LEU A 43 -5.857 5.183 5.269 1.00 0.00 C ATOM 684 CG LEU A 43 -5.528 3.953 4.423 1.00 0.00 C ATOM 685 CD1 LEU A 43 -4.282 4.198 3.586 1.00 0.00 C ATOM 686 CD2 LEU A 43 -5.346 2.729 5.309 1.00 0.00 C ATOM 0 H LEU A 43 -7.894 5.693 3.976 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.494 4.204 6.261 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.754 6.069 4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.112 5.264 6.061 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.363 3.767 3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.064 3.312 2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.450 5.048 2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.439 4.411 4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.112 1.863 4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.530 2.905 6.009 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.266 2.541 5.863 1.00 0.00 H new ATOM 698 N GLY A 44 -7.435 7.440 6.835 1.00 0.00 N ATOM 699 CA GLY A 44 -7.459 8.426 7.900 1.00 0.00 C ATOM 700 C GLY A 44 -6.445 9.533 7.689 1.00 0.00 C ATOM 701 O GLY A 44 -6.789 10.618 7.224 1.00 0.00 O ATOM 0 H GLY A 44 -7.568 7.818 5.897 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.457 8.860 7.967 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.261 7.933 8.852 1.00 0.00 H new ATOM 705 N ASN A 45 -5.191 9.258 8.033 1.00 0.00 N ATOM 706 CA ASN A 45 -4.124 10.240 7.880 1.00 0.00 C ATOM 707 C ASN A 45 -3.313 9.970 6.616 1.00 0.00 C ATOM 708 O ASN A 45 -2.826 10.897 5.969 1.00 0.00 O ATOM 709 CB ASN A 45 -3.205 10.219 9.103 1.00 0.00 C ATOM 710 CG ASN A 45 -1.883 10.917 8.845 1.00 0.00 C ATOM 711 OD1 ASN A 45 -1.783 11.775 7.969 1.00 0.00 O ATOM 712 ND2 ASN A 45 -0.862 10.550 9.610 1.00 0.00 N ATOM 0 H ASN A 45 -4.889 8.364 8.419 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.581 11.226 7.793 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.709 10.700 9.941 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.016 9.186 9.395 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.052 10.984 9.483 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.992 9.834 10.324 1.00 0.00 H new ATOM 719 N ARG A 46 -3.173 8.694 6.271 1.00 0.00 N ATOM 720 CA ARG A 46 -2.421 8.302 5.085 1.00 0.00 C ATOM 721 C ARG A 46 -2.873 9.101 3.866 1.00 0.00 C ATOM 722 O ARG A 46 -4.049 9.440 3.733 1.00 0.00 O ATOM 723 CB ARG A 46 -2.591 6.805 4.819 1.00 0.00 C ATOM 724 CG ARG A 46 -1.832 5.923 5.797 1.00 0.00 C ATOM 725 CD ARG A 46 -0.329 6.119 5.674 1.00 0.00 C ATOM 726 NE ARG A 46 0.131 7.292 6.413 1.00 0.00 N ATOM 727 CZ ARG A 46 0.243 7.330 7.736 1.00 0.00 C ATOM 728 NH1 ARG A 46 -0.072 6.266 8.462 1.00 0.00 N ATOM 729 NH2 ARG A 46 0.670 8.434 8.335 1.00 0.00 N ATOM 0 H ARG A 46 -3.570 7.915 6.796 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.367 8.514 5.267 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.651 6.555 4.864 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.254 6.584 3.806 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.148 6.151 6.815 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.080 4.878 5.614 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.184 5.232 6.046 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.062 6.225 4.623 1.00 0.00 H new ATOM 0 HE ARG A 46 0.380 8.128 5.884 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.401 5.416 8.005 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.015 6.298 9.478 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.913 9.254 7.780 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.756 8.462 9.351 1.00 0.00 H new ATOM 743 N THR A 47 -1.930 9.399 2.977 1.00 0.00 N ATOM 744 CA THR A 47 -2.230 10.159 1.770 1.00 0.00 C ATOM 745 C THR A 47 -2.005 9.317 0.520 1.00 0.00 C ATOM 746 O THR A 47 -1.310 8.301 0.561 1.00 0.00 O ATOM 747 CB THR A 47 -1.369 11.433 1.679 1.00 0.00 C ATOM 748 OG1 THR A 47 -0.020 11.089 1.343 1.00 0.00 O ATOM 749 CG2 THR A 47 -1.390 12.195 2.996 1.00 0.00 C ATOM 0 H THR A 47 -0.952 9.125 3.071 1.00 0.00 H new ATOM 0 HA THR A 47 -3.281 10.443 1.829 1.00 0.00 H new ATOM 0 HB THR A 47 -1.786 12.072 0.901 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.521 11.904 1.285 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.775 13.091 2.908 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.415 12.480 3.235 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.995 11.561 3.790 1.00 0.00 H new ATOM 757 N ALA A 48 -2.595 9.745 -0.591 1.00 0.00 N ATOM 758 CA ALA A 48 -2.456 9.031 -1.854 1.00 0.00 C ATOM 759 C ALA A 48 -1.066 8.417 -1.988 1.00 0.00 C ATOM 760 O ALA A 48 -0.926 7.220 -2.238 1.00 0.00 O ATOM 761 CB ALA A 48 -2.737 9.965 -3.022 1.00 0.00 C ATOM 0 H ALA A 48 -3.174 10.583 -0.642 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.185 8.221 -1.867 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.630 9.418 -3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.753 10.352 -2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.030 10.795 -3.003 1.00 0.00 H new ATOM 767 N LYS A 49 -0.041 9.245 -1.820 1.00 0.00 N ATOM 768 CA LYS A 49 1.339 8.784 -1.921 1.00 0.00 C ATOM 769 C LYS A 49 1.607 7.650 -0.938 1.00 0.00 C ATOM 770 O LYS A 49 1.788 6.500 -1.338 1.00 0.00 O ATOM 771 CB LYS A 49 2.305 9.941 -1.657 1.00 0.00 C ATOM 772 CG LYS A 49 2.692 10.708 -2.910 1.00 0.00 C ATOM 773 CD LYS A 49 3.931 10.119 -3.564 1.00 0.00 C ATOM 774 CE LYS A 49 3.996 10.462 -5.045 1.00 0.00 C ATOM 775 NZ LYS A 49 4.144 11.927 -5.269 1.00 0.00 N ATOM 0 H LYS A 49 -0.139 10.239 -1.613 1.00 0.00 H new ATOM 0 HA LYS A 49 1.498 8.409 -2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.848 10.630 -0.946 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.207 9.550 -1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.863 10.692 -3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.875 11.752 -2.657 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.822 10.496 -3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.929 9.036 -3.440 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.835 9.938 -5.503 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.091 10.108 -5.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.185 12.120 -6.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.331 12.425 -4.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.020 12.260 -4.819 1.00 0.00 H new ATOM 789 N GLN A 50 1.631 7.981 0.349 1.00 0.00 N ATOM 790 CA GLN A 50 1.876 6.989 1.389 1.00 0.00 C ATOM 791 C GLN A 50 1.218 5.659 1.038 1.00 0.00 C ATOM 792 O GLN A 50 1.776 4.592 1.293 1.00 0.00 O ATOM 793 CB GLN A 50 1.353 7.491 2.736 1.00 0.00 C ATOM 794 CG GLN A 50 2.061 8.740 3.237 1.00 0.00 C ATOM 795 CD GLN A 50 3.565 8.565 3.317 1.00 0.00 C ATOM 796 OE1 GLN A 50 4.059 7.515 3.728 1.00 0.00 O ATOM 797 NE2 GLN A 50 4.302 9.597 2.923 1.00 0.00 N ATOM 0 H GLN A 50 1.484 8.929 0.696 1.00 0.00 H new ATOM 0 HA GLN A 50 2.952 6.833 1.461 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.287 7.699 2.648 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.463 6.699 3.477 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.831 9.574 2.574 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.676 9.001 4.223 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.850 10.448 2.589 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.320 9.538 2.954 1.00 0.00 H new ATOM 806 N VAL A 51 0.027 5.730 0.452 1.00 0.00 N ATOM 807 CA VAL A 51 -0.708 4.531 0.065 1.00 0.00 C ATOM 808 C VAL A 51 -0.090 3.882 -1.168 1.00 0.00 C ATOM 809 O VAL A 51 0.139 2.673 -1.196 1.00 0.00 O ATOM 810 CB VAL A 51 -2.187 4.848 -0.222 1.00 0.00 C ATOM 811 CG1 VAL A 51 -2.933 3.588 -0.635 1.00 0.00 C ATOM 812 CG2 VAL A 51 -2.840 5.490 0.993 1.00 0.00 C ATOM 0 H VAL A 51 -0.450 6.605 0.235 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.649 3.838 0.905 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.235 5.557 -1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.977 3.832 -0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.479 3.175 -1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.879 2.853 0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.885 5.707 0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.783 4.807 1.840 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.321 6.417 1.238 1.00 0.00 H new ATOM 822 N ALA A 52 0.180 4.693 -2.185 1.00 0.00 N ATOM 823 CA ALA A 52 0.774 4.198 -3.420 1.00 0.00 C ATOM 824 C ALA A 52 2.105 3.504 -3.150 1.00 0.00 C ATOM 825 O ALA A 52 2.378 2.433 -3.691 1.00 0.00 O ATOM 826 CB ALA A 52 0.963 5.338 -4.409 1.00 0.00 C ATOM 0 H ALA A 52 -0.003 5.696 -2.178 1.00 0.00 H new ATOM 0 HA ALA A 52 0.093 3.465 -3.853 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.408 4.953 -5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.004 5.788 -4.635 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.621 6.091 -3.975 1.00 0.00 H new ATOM 832 N SER A 53 2.929 4.122 -2.309 1.00 0.00 N ATOM 833 CA SER A 53 4.233 3.565 -1.971 1.00 0.00 C ATOM 834 C SER A 53 4.085 2.348 -1.062 1.00 0.00 C ATOM 835 O SER A 53 5.042 1.607 -0.840 1.00 0.00 O ATOM 836 CB SER A 53 5.101 4.623 -1.287 1.00 0.00 C ATOM 837 OG SER A 53 6.478 4.308 -1.405 1.00 0.00 O ATOM 0 H SER A 53 2.716 5.008 -1.850 1.00 0.00 H new ATOM 0 HA SER A 53 4.717 3.250 -2.896 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.909 5.599 -1.732 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.830 4.694 -0.234 1.00 0.00 H new ATOM 0 HG SER A 53 6.604 3.659 -2.128 1.00 0.00 H new ATOM 843 N GLN A 54 2.879 2.150 -0.541 1.00 0.00 N ATOM 844 CA GLN A 54 2.605 1.024 0.344 1.00 0.00 C ATOM 845 C GLN A 54 2.138 -0.191 -0.450 1.00 0.00 C ATOM 846 O GLN A 54 2.349 -1.332 -0.040 1.00 0.00 O ATOM 847 CB GLN A 54 1.548 1.408 1.381 1.00 0.00 C ATOM 848 CG GLN A 54 1.551 0.516 2.612 1.00 0.00 C ATOM 849 CD GLN A 54 2.830 0.637 3.418 1.00 0.00 C ATOM 850 OE1 GLN A 54 3.777 1.307 3.004 1.00 0.00 O ATOM 851 NE2 GLN A 54 2.864 -0.012 4.576 1.00 0.00 N ATOM 0 H GLN A 54 2.076 2.754 -0.716 1.00 0.00 H new ATOM 0 HA GLN A 54 3.530 0.765 0.858 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.713 2.440 1.690 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.563 1.368 0.916 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.702 0.774 3.245 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.416 -0.521 2.305 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.056 -0.555 4.880 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.698 0.033 5.161 1.00 0.00 H new ATOM 860 N VAL A 55 1.500 0.062 -1.588 1.00 0.00 N ATOM 861 CA VAL A 55 1.003 -1.012 -2.441 1.00 0.00 C ATOM 862 C VAL A 55 2.142 -1.687 -3.196 1.00 0.00 C ATOM 863 O VAL A 55 2.216 -2.914 -3.259 1.00 0.00 O ATOM 864 CB VAL A 55 -0.032 -0.489 -3.455 1.00 0.00 C ATOM 865 CG1 VAL A 55 -0.484 -1.608 -4.382 1.00 0.00 C ATOM 866 CG2 VAL A 55 -1.220 0.129 -2.733 1.00 0.00 C ATOM 0 H VAL A 55 1.315 1.001 -1.941 1.00 0.00 H new ATOM 0 HA VAL A 55 0.524 -1.740 -1.786 1.00 0.00 H new ATOM 0 HB VAL A 55 0.438 0.285 -4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.215 -1.220 -5.091 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.376 -2.000 -4.925 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.937 -2.406 -3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.941 0.493 -3.465 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.693 -0.623 -2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.879 0.960 -2.116 1.00 0.00 H new ATOM 876 N GLN A 56 3.028 -0.877 -3.766 1.00 0.00 N ATOM 877 CA GLN A 56 4.165 -1.397 -4.517 1.00 0.00 C ATOM 878 C GLN A 56 4.790 -2.591 -3.803 1.00 0.00 C ATOM 879 O GLN A 56 5.075 -3.617 -4.419 1.00 0.00 O ATOM 880 CB GLN A 56 5.214 -0.302 -4.719 1.00 0.00 C ATOM 881 CG GLN A 56 5.847 0.180 -3.424 1.00 0.00 C ATOM 882 CD GLN A 56 6.910 1.236 -3.652 1.00 0.00 C ATOM 883 OE1 GLN A 56 6.667 2.429 -3.465 1.00 0.00 O ATOM 884 NE2 GLN A 56 8.098 0.803 -4.059 1.00 0.00 N ATOM 0 H GLN A 56 2.981 0.141 -3.722 1.00 0.00 H new ATOM 0 HA GLN A 56 3.804 -1.728 -5.491 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.996 -0.677 -5.379 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.750 0.545 -5.224 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.072 0.585 -2.774 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.289 -0.669 -2.902 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.256 -0.195 -4.201 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.852 1.468 -4.229 1.00 0.00 H new ATOM 893 N LYS A 57 5.000 -2.449 -2.498 1.00 0.00 N ATOM 894 CA LYS A 57 5.590 -3.515 -1.698 1.00 0.00 C ATOM 895 C LYS A 57 4.573 -4.618 -1.426 1.00 0.00 C ATOM 896 O LYS A 57 4.859 -5.801 -1.614 1.00 0.00 O ATOM 897 CB LYS A 57 6.118 -2.955 -0.375 1.00 0.00 C ATOM 898 CG LYS A 57 7.371 -2.111 -0.528 1.00 0.00 C ATOM 899 CD LYS A 57 7.519 -1.121 0.615 1.00 0.00 C ATOM 900 CE LYS A 57 8.944 -0.598 0.718 1.00 0.00 C ATOM 901 NZ LYS A 57 9.028 0.618 1.574 1.00 0.00 N ATOM 0 H LYS A 57 4.770 -1.606 -1.973 1.00 0.00 H new ATOM 0 HA LYS A 57 6.420 -3.942 -2.262 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.339 -2.352 0.091 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.328 -3.783 0.302 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.246 -2.760 -0.564 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.335 -1.572 -1.475 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.834 -0.286 0.466 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.238 -1.601 1.552 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.588 -1.376 1.128 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.319 -0.367 -0.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.015 0.943 1.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.434 1.369 1.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.694 0.391 2.533 1.00 0.00 H new ATOM 915 N TYR A 58 3.384 -4.224 -0.983 1.00 0.00 N ATOM 916 CA TYR A 58 2.324 -5.180 -0.684 1.00 0.00 C ATOM 917 C TYR A 58 2.266 -6.277 -1.742 1.00 0.00 C ATOM 918 O TYR A 58 1.790 -7.382 -1.482 1.00 0.00 O ATOM 919 CB TYR A 58 0.974 -4.466 -0.600 1.00 0.00 C ATOM 920 CG TYR A 58 0.644 -3.956 0.785 1.00 0.00 C ATOM 921 CD1 TYR A 58 1.646 -3.741 1.724 1.00 0.00 C ATOM 922 CD2 TYR A 58 -0.668 -3.691 1.155 1.00 0.00 C ATOM 923 CE1 TYR A 58 1.350 -3.276 2.990 1.00 0.00 C ATOM 924 CE2 TYR A 58 -0.974 -3.224 2.419 1.00 0.00 C ATOM 925 CZ TYR A 58 0.039 -3.018 3.333 1.00 0.00 C ATOM 926 OH TYR A 58 -0.262 -2.555 4.593 1.00 0.00 O ATOM 0 H TYR A 58 3.130 -3.249 -0.823 1.00 0.00 H new ATOM 0 HA TYR A 58 2.545 -5.640 0.279 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.972 -3.628 -1.297 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.190 -5.151 -0.922 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.674 -3.941 1.459 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.463 -3.853 0.442 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.141 -3.115 3.708 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -2.000 -3.021 2.690 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.396 -1.585 4.562 1.00 0.00 H new ATOM 936 N PHE A 59 2.756 -5.965 -2.938 1.00 0.00 N ATOM 937 CA PHE A 59 2.760 -6.923 -4.037 1.00 0.00 C ATOM 938 C PHE A 59 4.188 -7.267 -4.452 1.00 0.00 C ATOM 939 O PHE A 59 4.495 -8.419 -4.761 1.00 0.00 O ATOM 940 CB PHE A 59 1.990 -6.362 -5.234 1.00 0.00 C ATOM 941 CG PHE A 59 0.541 -6.092 -4.941 1.00 0.00 C ATOM 942 CD1 PHE A 59 0.177 -5.209 -3.937 1.00 0.00 C ATOM 943 CD2 PHE A 59 -0.455 -6.720 -5.670 1.00 0.00 C ATOM 944 CE1 PHE A 59 -1.155 -4.959 -3.665 1.00 0.00 C ATOM 945 CE2 PHE A 59 -1.789 -6.474 -5.403 1.00 0.00 C ATOM 946 CZ PHE A 59 -2.139 -5.591 -4.400 1.00 0.00 C ATOM 0 H PHE A 59 3.155 -5.056 -3.170 1.00 0.00 H new ATOM 0 HA PHE A 59 2.270 -7.834 -3.694 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.465 -5.437 -5.560 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.060 -7.066 -6.063 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.942 -4.711 -3.361 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.187 -7.410 -6.456 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.426 -4.270 -2.879 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.556 -6.971 -5.978 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.180 -5.395 -4.191 1.00 0.00 H new ATOM 956 N ILE A 60 5.055 -6.260 -4.458 1.00 0.00 N ATOM 957 CA ILE A 60 6.449 -6.456 -4.835 1.00 0.00 C ATOM 958 C ILE A 60 7.284 -6.905 -3.641 1.00 0.00 C ATOM 959 O ILE A 60 8.496 -6.694 -3.601 1.00 0.00 O ATOM 960 CB ILE A 60 7.060 -5.168 -5.419 1.00 0.00 C ATOM 961 CG1 ILE A 60 6.191 -4.638 -6.562 1.00 0.00 C ATOM 962 CG2 ILE A 60 8.479 -5.427 -5.902 1.00 0.00 C ATOM 963 CD1 ILE A 60 6.432 -3.178 -6.876 1.00 0.00 C ATOM 0 H ILE A 60 4.817 -5.301 -4.206 1.00 0.00 H new ATOM 0 HA ILE A 60 6.463 -7.234 -5.598 1.00 0.00 H new ATOM 0 HB ILE A 60 7.096 -4.412 -4.634 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.381 -5.230 -7.457 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.141 -4.778 -6.305 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.897 -4.508 -6.312 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.092 -5.764 -5.066 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.466 -6.196 -6.675 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.783 -2.870 -7.696 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.214 -2.575 -5.994 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.473 -3.035 -7.165 1.00 0.00 H new ATOM 975 N LYS A 61 6.627 -7.527 -2.667 1.00 0.00 N ATOM 976 CA LYS A 61 7.307 -8.010 -1.472 1.00 0.00 C ATOM 977 C LYS A 61 6.989 -9.480 -1.221 1.00 0.00 C ATOM 978 O LYS A 61 7.801 -10.214 -0.656 1.00 0.00 O ATOM 979 CB LYS A 61 6.900 -7.175 -0.256 1.00 0.00 C ATOM 980 CG LYS A 61 7.462 -7.695 1.056 1.00 0.00 C ATOM 981 CD LYS A 61 6.513 -8.681 1.717 1.00 0.00 C ATOM 982 CE LYS A 61 7.133 -9.303 2.960 1.00 0.00 C ATOM 983 NZ LYS A 61 7.052 -8.392 4.135 1.00 0.00 N ATOM 0 H LYS A 61 5.623 -7.708 -2.683 1.00 0.00 H new ATOM 0 HA LYS A 61 8.381 -7.911 -1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.234 -6.148 -0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.812 -7.150 -0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.422 -8.178 0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.647 -6.859 1.730 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.587 -8.172 1.986 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.250 -9.466 1.008 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.624 -10.239 3.190 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.176 -9.548 2.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.485 -8.852 4.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.559 -7.509 3.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.055 -8.178 4.340 1.00 0.00 H new ATOM 997 N LEU A 62 5.805 -9.906 -1.647 1.00 0.00 N ATOM 998 CA LEU A 62 5.380 -11.290 -1.470 1.00 0.00 C ATOM 999 C LEU A 62 6.014 -12.193 -2.524 1.00 0.00 C ATOM 1000 O LEU A 62 5.635 -13.355 -2.671 1.00 0.00 O ATOM 1001 CB LEU A 62 3.856 -11.390 -1.545 1.00 0.00 C ATOM 1002 CG LEU A 62 3.222 -10.987 -2.877 1.00 0.00 C ATOM 1003 CD1 LEU A 62 3.322 -12.124 -3.882 1.00 0.00 C ATOM 1004 CD2 LEU A 62 1.770 -10.579 -2.675 1.00 0.00 C ATOM 0 H LEU A 62 5.122 -9.312 -2.118 1.00 0.00 H new ATOM 0 HA LEU A 62 5.711 -11.623 -0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.568 -12.418 -1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.432 -10.765 -0.759 1.00 0.00 H new ATOM 0 HG LEU A 62 3.768 -10.131 -3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.866 -11.819 -4.824 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.371 -12.370 -4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.802 -13.000 -3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.335 -10.295 -3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.212 -11.416 -2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.722 -9.732 -1.990 1.00 0.00 H new ATOM 1016 N THR A 63 6.982 -11.650 -3.256 1.00 0.00 N ATOM 1017 CA THR A 63 7.669 -12.406 -4.295 1.00 0.00 C ATOM 1018 C THR A 63 8.767 -13.283 -3.703 1.00 0.00 C ATOM 1019 O THR A 63 9.851 -13.408 -4.273 1.00 0.00 O ATOM 1020 CB THR A 63 8.288 -11.472 -5.352 1.00 0.00 C ATOM 1021 OG1 THR A 63 8.887 -12.245 -6.398 1.00 0.00 O ATOM 1022 CG2 THR A 63 9.333 -10.562 -4.725 1.00 0.00 C ATOM 0 H THR A 63 7.308 -10.689 -3.148 1.00 0.00 H new ATOM 0 HA THR A 63 6.921 -13.039 -4.773 1.00 0.00 H new ATOM 0 HB THR A 63 7.493 -10.853 -5.768 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.513 -12.891 -6.010 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.756 -9.912 -5.491 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.868 -9.954 -3.949 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.126 -11.167 -4.285 1.00 0.00 H new ATOM 1030 N LYS A 64 8.479 -13.890 -2.557 1.00 0.00 N ATOM 1031 CA LYS A 64 9.440 -14.758 -1.887 1.00 0.00 C ATOM 1032 C LYS A 64 10.771 -14.040 -1.683 1.00 0.00 C ATOM 1033 O LYS A 64 11.833 -14.660 -1.722 1.00 0.00 O ATOM 1034 CB LYS A 64 9.657 -16.036 -2.701 1.00 0.00 C ATOM 1035 CG LYS A 64 8.399 -16.869 -2.872 1.00 0.00 C ATOM 1036 CD LYS A 64 8.009 -17.563 -1.578 1.00 0.00 C ATOM 1037 CE LYS A 64 6.682 -18.293 -1.715 1.00 0.00 C ATOM 1038 NZ LYS A 64 6.771 -19.430 -2.673 1.00 0.00 N ATOM 0 H LYS A 64 7.586 -13.797 -2.072 1.00 0.00 H new ATOM 0 HA LYS A 64 9.036 -15.021 -0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.042 -15.769 -3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.421 -16.642 -2.213 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.581 -16.230 -3.204 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.558 -17.614 -3.652 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.788 -18.271 -1.295 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.940 -16.828 -0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.369 -18.664 -0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.916 -17.594 -2.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.878 -19.963 -2.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.945 -19.064 -3.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.552 -20.058 -2.395 1.00 0.00 H new ATOM 1052 N ALA A 65 10.705 -12.731 -1.465 1.00 0.00 N ATOM 1053 CA ALA A 65 11.904 -11.931 -1.252 1.00 0.00 C ATOM 1054 C ALA A 65 13.069 -12.454 -2.085 1.00 0.00 C ATOM 1055 O ALA A 65 14.195 -12.555 -1.601 1.00 0.00 O ATOM 1056 CB ALA A 65 12.273 -11.917 0.225 1.00 0.00 C ATOM 0 H ALA A 65 9.833 -12.202 -1.431 1.00 0.00 H new ATOM 0 HA ALA A 65 11.692 -10.911 -1.573 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.171 -11.316 0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.453 -11.489 0.801 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.460 -12.936 0.563 1.00 0.00 H new ATOM 1062 N GLY A 66 12.789 -12.785 -3.342 1.00 0.00 N ATOM 1063 CA GLY A 66 13.824 -13.295 -4.223 1.00 0.00 C ATOM 1064 C GLY A 66 14.236 -12.287 -5.277 1.00 0.00 C ATOM 1065 O GLY A 66 14.529 -12.654 -6.416 1.00 0.00 O ATOM 0 H GLY A 66 11.864 -12.709 -3.766 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.696 -13.574 -3.631 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.467 -14.202 -4.712 1.00 0.00 H new ATOM 1069 N ILE A 67 14.259 -11.013 -4.899 1.00 0.00 N ATOM 1070 CA ILE A 67 14.637 -9.950 -5.821 1.00 0.00 C ATOM 1071 C ILE A 67 15.259 -8.773 -5.077 1.00 0.00 C ATOM 1072 O ILE A 67 14.800 -8.369 -4.009 1.00 0.00 O ATOM 1073 CB ILE A 67 13.427 -9.449 -6.631 1.00 0.00 C ATOM 1074 CG1 ILE A 67 12.833 -10.589 -7.461 1.00 0.00 C ATOM 1075 CG2 ILE A 67 13.833 -8.289 -7.528 1.00 0.00 C ATOM 1076 CD1 ILE A 67 11.553 -10.215 -8.174 1.00 0.00 C ATOM 0 H ILE A 67 14.020 -10.692 -3.961 1.00 0.00 H new ATOM 0 HA ILE A 67 15.371 -10.374 -6.506 1.00 0.00 H new ATOM 0 HB ILE A 67 12.665 -9.096 -5.936 1.00 0.00 H new ATOM 0 HG12 ILE A 67 13.568 -10.912 -8.198 1.00 0.00 H new ATOM 0 HG13 ILE A 67 12.640 -11.440 -6.808 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.967 -7.946 -8.094 1.00 0.00 H new ATOM 0 HG22 ILE A 67 14.213 -7.471 -6.916 1.00 0.00 H new ATOM 0 HG23 ILE A 67 14.610 -8.617 -8.218 1.00 0.00 H new ATOM 0 HD11 ILE A 67 11.190 -11.071 -8.742 1.00 0.00 H new ATOM 0 HD12 ILE A 67 10.801 -9.920 -7.442 1.00 0.00 H new ATOM 0 HD13 ILE A 67 11.744 -9.384 -8.853 1.00 0.00 H new ATOM 1088 N PRO A 68 16.329 -8.207 -5.655 1.00 0.00 N ATOM 1089 CA PRO A 68 17.036 -7.066 -5.065 1.00 0.00 C ATOM 1090 C PRO A 68 16.210 -5.785 -5.113 1.00 0.00 C ATOM 1091 O PRO A 68 15.769 -5.358 -6.180 1.00 0.00 O ATOM 1092 CB PRO A 68 18.284 -6.930 -5.941 1.00 0.00 C ATOM 1093 CG PRO A 68 17.895 -7.528 -7.249 1.00 0.00 C ATOM 1094 CD PRO A 68 16.931 -8.636 -6.928 1.00 0.00 C ATOM 0 HA PRO A 68 17.255 -7.224 -4.009 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.576 -5.886 -6.054 1.00 0.00 H new ATOM 0 HB3 PRO A 68 19.134 -7.454 -5.503 1.00 0.00 H new ATOM 0 HG2 PRO A 68 17.432 -6.783 -7.896 1.00 0.00 H new ATOM 0 HG3 PRO A 68 18.768 -7.911 -7.778 1.00 0.00 H new ATOM 0 HD2 PRO A 68 16.179 -8.753 -7.709 1.00 0.00 H new ATOM 0 HD3 PRO A 68 17.440 -9.595 -6.829 1.00 0.00 H new ATOM 1102 N VAL A 69 16.005 -5.175 -3.950 1.00 0.00 N ATOM 1103 CA VAL A 69 15.234 -3.941 -3.859 1.00 0.00 C ATOM 1104 C VAL A 69 16.139 -2.718 -3.953 1.00 0.00 C ATOM 1105 O VAL A 69 16.000 -1.898 -4.861 1.00 0.00 O ATOM 1106 CB VAL A 69 14.435 -3.874 -2.544 1.00 0.00 C ATOM 1107 CG1 VAL A 69 13.678 -2.558 -2.445 1.00 0.00 C ATOM 1108 CG2 VAL A 69 13.482 -5.055 -2.440 1.00 0.00 C ATOM 0 H VAL A 69 16.362 -5.516 -3.057 1.00 0.00 H new ATOM 0 HA VAL A 69 14.539 -3.940 -4.699 1.00 0.00 H new ATOM 0 HB VAL A 69 15.135 -3.926 -1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.119 -2.529 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.385 -1.729 -2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 69 12.986 -2.472 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 69 12.925 -4.992 -1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.786 -5.036 -3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 69 14.051 -5.985 -2.462 1.00 0.00 H new ATOM 1118 N SER A 70 17.069 -2.603 -3.010 1.00 0.00 N ATOM 1119 CA SER A 70 17.996 -1.478 -2.984 1.00 0.00 C ATOM 1120 C SER A 70 19.332 -1.861 -3.614 1.00 0.00 C ATOM 1121 O SER A 70 19.781 -3.000 -3.499 1.00 0.00 O ATOM 1122 CB SER A 70 18.215 -1.002 -1.547 1.00 0.00 C ATOM 1123 OG SER A 70 18.745 0.312 -1.519 1.00 0.00 O ATOM 0 H SER A 70 17.200 -3.275 -2.254 1.00 0.00 H new ATOM 0 HA SER A 70 17.559 -0.666 -3.565 1.00 0.00 H new ATOM 0 HB2 SER A 70 17.270 -1.028 -1.004 1.00 0.00 H new ATOM 0 HB3 SER A 70 18.895 -1.683 -1.035 1.00 0.00 H new ATOM 0 HG SER A 70 18.874 0.593 -0.589 1.00 0.00 H new ATOM 1129 N GLY A 71 19.963 -0.898 -4.280 1.00 0.00 N ATOM 1130 CA GLY A 71 21.241 -1.153 -4.919 1.00 0.00 C ATOM 1131 C GLY A 71 21.561 -0.141 -6.001 1.00 0.00 C ATOM 1132 O GLY A 71 21.330 -0.376 -7.188 1.00 0.00 O ATOM 0 H GLY A 71 19.612 0.054 -4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 71 22.029 -1.137 -4.166 1.00 0.00 H new ATOM 0 HA3 GLY A 71 21.234 -2.153 -5.352 1.00 0.00 H new ATOM 1136 N PRO A 72 22.103 1.016 -5.593 1.00 0.00 N ATOM 1137 CA PRO A 72 22.465 2.091 -6.522 1.00 0.00 C ATOM 1138 C PRO A 72 23.660 1.725 -7.395 1.00 0.00 C ATOM 1139 O PRO A 72 24.810 1.946 -7.015 1.00 0.00 O ATOM 1140 CB PRO A 72 22.817 3.257 -5.595 1.00 0.00 C ATOM 1141 CG PRO A 72 23.234 2.612 -4.317 1.00 0.00 C ATOM 1142 CD PRO A 72 22.406 1.363 -4.195 1.00 0.00 C ATOM 0 HA PRO A 72 21.660 2.313 -7.222 1.00 0.00 H new ATOM 0 HB2 PRO A 72 23.619 3.866 -6.012 1.00 0.00 H new ATOM 0 HB3 PRO A 72 21.962 3.916 -5.445 1.00 0.00 H new ATOM 0 HG2 PRO A 72 24.298 2.375 -4.328 1.00 0.00 H new ATOM 0 HG3 PRO A 72 23.064 3.277 -3.470 1.00 0.00 H new ATOM 0 HD2 PRO A 72 22.954 0.565 -3.693 1.00 0.00 H new ATOM 0 HD3 PRO A 72 21.498 1.538 -3.619 1.00 0.00 H new ATOM 1150 N SER A 73 23.381 1.164 -8.567 1.00 0.00 N ATOM 1151 CA SER A 73 24.435 0.764 -9.493 1.00 0.00 C ATOM 1152 C SER A 73 24.802 1.913 -10.427 1.00 0.00 C ATOM 1153 O SER A 73 25.976 2.242 -10.593 1.00 0.00 O ATOM 1154 CB SER A 73 23.990 -0.451 -10.311 1.00 0.00 C ATOM 1155 OG SER A 73 24.949 -0.777 -11.301 1.00 0.00 O ATOM 0 H SER A 73 22.435 0.976 -8.898 1.00 0.00 H new ATOM 0 HA SER A 73 25.316 0.498 -8.909 1.00 0.00 H new ATOM 0 HB2 SER A 73 23.841 -1.304 -9.649 1.00 0.00 H new ATOM 0 HB3 SER A 73 23.030 -0.243 -10.784 1.00 0.00 H new ATOM 0 HG SER A 73 24.643 -1.557 -11.809 1.00 0.00 H new ATOM 1161 N SER A 74 23.788 2.520 -11.035 1.00 0.00 N ATOM 1162 CA SER A 74 24.003 3.630 -11.956 1.00 0.00 C ATOM 1163 C SER A 74 22.934 4.703 -11.772 1.00 0.00 C ATOM 1164 O SER A 74 21.927 4.484 -11.100 1.00 0.00 O ATOM 1165 CB SER A 74 23.996 3.130 -13.402 1.00 0.00 C ATOM 1166 OG SER A 74 24.574 4.085 -14.275 1.00 0.00 O ATOM 0 H SER A 74 22.810 2.262 -10.907 1.00 0.00 H new ATOM 0 HA SER A 74 24.976 4.069 -11.736 1.00 0.00 H new ATOM 0 HB2 SER A 74 24.547 2.192 -13.468 1.00 0.00 H new ATOM 0 HB3 SER A 74 22.972 2.921 -13.713 1.00 0.00 H new ATOM 0 HG SER A 74 24.559 3.741 -15.192 1.00 0.00 H new ATOM 1172 N GLY A 75 23.161 5.866 -12.376 1.00 0.00 N ATOM 1173 CA GLY A 75 22.210 6.956 -12.267 1.00 0.00 C ATOM 1174 C GLY A 75 22.356 7.726 -10.970 1.00 0.00 C ATOM 1175 O GLY A 75 21.385 8.280 -10.456 1.00 0.00 O ATOM 0 H GLY A 75 23.987 6.072 -12.939 1.00 0.00 H new ATOM 0 HA2 GLY A 75 22.345 7.637 -13.107 1.00 0.00 H new ATOM 0 HA3 GLY A 75 21.197 6.559 -12.338 1.00 0.00 H new TER 1179 GLY A 75