USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 426 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 25 TYR OH : rot -15:sc= -0.412 USER MOD Set 1.2: A 29 THR OG1 : rot 137:sc= 1.11 USER MOD Set 1.3: A 31 THR OG1 : rot 78:sc= 1.13 USER MOD Single : A 1 ARG N :NH3+ -99:sc= 0.0145 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -157:sc= -0.143 (180deg=-0.664) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.492 K(o=0.49,f=-6.6!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.0409 X(o=-0.041,f=-0.0038) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -4.49! K(o=-4.5!,f=-1.1) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 94:sc= -0.396 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -120:sc= -0.234 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -2.78! K(o=-2.8!,f=-0.29) USER MOD Single : A 48 LYS NZ :NH3+ -126:sc= 1.23 (180deg=-0.885) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 13.460 2.253 9.325 1.00 0.00 N ATOM 2 CA ARG A 1 12.087 2.214 8.757 1.00 0.00 C ATOM 3 C ARG A 1 12.149 1.731 7.309 1.00 0.00 C ATOM 4 O ARG A 1 13.075 2.085 6.574 1.00 0.00 O ATOM 5 CB ARG A 1 11.491 3.629 8.827 1.00 0.00 C ATOM 6 CG ARG A 1 9.978 3.688 8.668 1.00 0.00 C ATOM 7 CD ARG A 1 9.488 5.124 8.528 1.00 0.00 C ATOM 8 NE ARG A 1 9.963 5.743 7.289 1.00 0.00 N ATOM 9 CZ ARG A 1 9.715 7.007 6.940 1.00 0.00 C ATOM 10 NH1 ARG A 1 8.978 7.783 7.721 1.00 0.00 N ATOM 11 NH2 ARG A 1 10.176 7.478 5.790 1.00 0.00 N ATOM 0 H1 ARG A 1 13.626 1.397 9.892 1.00 0.00 H new ATOM 0 H2 ARG A 1 14.154 2.296 8.552 1.00 0.00 H new ATOM 0 H3 ARG A 1 13.562 3.093 9.929 1.00 0.00 H new ATOM 0 HA ARG A 1 11.459 1.527 9.324 1.00 0.00 H new ATOM 0 HB2 ARG A 1 11.760 4.075 9.784 1.00 0.00 H new ATOM 0 HB3 ARG A 1 11.949 4.241 8.050 1.00 0.00 H new ATOM 0 HG2 ARG A 1 9.680 3.114 7.791 1.00 0.00 H new ATOM 0 HG3 ARG A 1 9.502 3.222 9.531 1.00 0.00 H new ATOM 0 HD2 ARG A 1 8.398 5.140 8.547 1.00 0.00 H new ATOM 0 HD3 ARG A 1 9.830 5.710 9.381 1.00 0.00 H new ATOM 0 HE ARG A 1 10.519 5.172 6.652 1.00 0.00 H new ATOM 0 HH11 ARG A 1 8.598 7.415 8.593 1.00 0.00 H new ATOM 0 HH12 ARG A 1 8.791 8.748 7.450 1.00 0.00 H new ATOM 0 HH21 ARG A 1 10.720 6.875 5.173 1.00 0.00 H new ATOM 0 HH22 ARG A 1 9.987 8.444 5.522 1.00 0.00 H new ATOM 27 N ILE A 2 11.172 0.925 6.900 1.00 0.00 N ATOM 28 CA ILE A 2 11.135 0.398 5.534 1.00 0.00 C ATOM 29 C ILE A 2 9.747 -0.203 5.209 1.00 0.00 C ATOM 30 O ILE A 2 9.590 -1.406 5.001 1.00 0.00 O ATOM 31 CB ILE A 2 12.267 -0.651 5.328 1.00 0.00 C ATOM 32 CG1 ILE A 2 12.300 -1.153 3.881 1.00 0.00 C ATOM 33 CG2 ILE A 2 12.102 -1.814 6.300 1.00 0.00 C ATOM 34 CD1 ILE A 2 12.709 -0.103 2.869 1.00 0.00 C ATOM 0 H ILE A 2 10.397 0.622 7.491 1.00 0.00 H new ATOM 0 HA ILE A 2 11.305 1.222 4.841 1.00 0.00 H new ATOM 0 HB ILE A 2 13.220 -0.163 5.533 1.00 0.00 H new ATOM 0 HG12 ILE A 2 12.991 -1.993 3.815 1.00 0.00 H new ATOM 0 HG13 ILE A 2 11.312 -1.531 3.617 1.00 0.00 H new ATOM 0 HG21 ILE A 2 12.902 -2.537 6.141 1.00 0.00 H new ATOM 0 HG22 ILE A 2 12.147 -1.442 7.324 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.139 -2.296 6.131 1.00 0.00 H new ATOM 0 HD11 ILE A 2 12.707 -0.540 1.870 1.00 0.00 H new ATOM 0 HD12 ILE A 2 12.005 0.729 2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 2 13.710 0.259 3.105 1.00 0.00 H new ATOM 46 N PRO A 3 8.696 0.635 5.203 1.00 0.00 N ATOM 47 CA PRO A 3 7.320 0.194 4.946 1.00 0.00 C ATOM 48 C PRO A 3 7.005 0.052 3.456 1.00 0.00 C ATOM 49 O PRO A 3 6.087 -0.672 3.075 1.00 0.00 O ATOM 50 CB PRO A 3 6.470 1.311 5.589 1.00 0.00 C ATOM 51 CG PRO A 3 7.459 2.203 6.277 1.00 0.00 C ATOM 52 CD PRO A 3 8.727 2.064 5.493 1.00 0.00 C ATOM 0 HA PRO A 3 7.127 -0.798 5.354 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.902 1.858 4.836 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.749 0.901 6.296 1.00 0.00 H new ATOM 0 HG2 PRO A 3 7.115 3.237 6.288 1.00 0.00 H new ATOM 0 HG3 PRO A 3 7.603 1.904 7.315 1.00 0.00 H new ATOM 0 HD2 PRO A 3 8.725 2.672 4.588 1.00 0.00 H new ATOM 0 HD3 PRO A 3 9.606 2.352 6.069 1.00 0.00 H new ATOM 60 N VAL A 4 7.778 0.728 2.614 1.00 0.00 N ATOM 61 CA VAL A 4 7.573 0.650 1.173 1.00 0.00 C ATOM 62 C VAL A 4 8.904 0.405 0.472 1.00 0.00 C ATOM 63 O VAL A 4 9.930 0.967 0.865 1.00 0.00 O ATOM 64 CB VAL A 4 6.943 1.947 0.588 1.00 0.00 C ATOM 65 CG1 VAL A 4 6.537 1.730 -0.854 1.00 0.00 C ATOM 66 CG2 VAL A 4 5.736 2.405 1.387 1.00 0.00 C ATOM 0 H VAL A 4 8.548 1.332 2.902 1.00 0.00 H new ATOM 0 HA VAL A 4 6.882 -0.175 1.000 1.00 0.00 H new ATOM 0 HB VAL A 4 7.703 2.726 0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.098 2.646 -1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.415 1.464 -1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.806 0.924 -0.909 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.329 3.313 0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.976 1.624 1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.036 2.607 2.415 1.00 0.00 H new ATOM 76 N LYS A 5 8.889 -0.418 -0.570 1.00 0.00 N ATOM 77 CA LYS A 5 10.105 -0.703 -1.318 1.00 0.00 C ATOM 78 C LYS A 5 9.790 -0.891 -2.798 1.00 0.00 C ATOM 79 O LYS A 5 10.130 -0.047 -3.627 1.00 0.00 O ATOM 80 CB LYS A 5 10.806 -1.953 -0.762 1.00 0.00 C ATOM 81 CG LYS A 5 12.329 -1.910 -0.866 1.00 0.00 C ATOM 82 CD LYS A 5 12.802 -1.933 -2.312 1.00 0.00 C ATOM 83 CE LYS A 5 14.249 -1.485 -2.435 1.00 0.00 C ATOM 84 NZ LYS A 5 14.422 -0.080 -1.981 1.00 0.00 N ATOM 0 H LYS A 5 8.055 -0.895 -0.913 1.00 0.00 H new ATOM 0 HA LYS A 5 10.778 0.148 -1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.527 -2.078 0.284 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.440 -2.830 -1.296 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.701 -1.009 -0.377 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.753 -2.760 -0.332 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.697 -2.941 -2.714 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.167 -1.283 -2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.886 -2.142 -1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.573 -1.577 -3.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.275 0.323 -2.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.592 0.480 -2.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.520 -0.059 -0.946 1.00 0.00 H new ATOM 98 N TYR A 6 9.159 -2.010 -3.125 1.00 0.00 N ATOM 99 CA TYR A 6 8.820 -2.320 -4.509 1.00 0.00 C ATOM 100 C TYR A 6 7.598 -1.527 -4.967 1.00 0.00 C ATOM 101 O TYR A 6 6.832 -1.028 -4.149 1.00 0.00 O ATOM 102 CB TYR A 6 8.563 -3.819 -4.668 1.00 0.00 C ATOM 103 CG TYR A 6 9.593 -4.699 -3.978 1.00 0.00 C ATOM 104 CD1 TYR A 6 10.948 -4.613 -4.294 1.00 0.00 C ATOM 105 CD2 TYR A 6 9.214 -5.616 -3.005 1.00 0.00 C ATOM 106 CE1 TYR A 6 11.882 -5.412 -3.663 1.00 0.00 C ATOM 107 CE2 TYR A 6 10.144 -6.416 -2.372 1.00 0.00 C ATOM 108 CZ TYR A 6 11.475 -6.312 -2.700 1.00 0.00 C ATOM 109 OH TYR A 6 12.395 -7.114 -2.065 1.00 0.00 O ATOM 0 H TYR A 6 8.871 -2.719 -2.451 1.00 0.00 H new ATOM 0 HA TYR A 6 9.665 -2.035 -5.135 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.576 -4.052 -4.270 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.544 -4.063 -5.730 1.00 0.00 H new ATOM 0 HD1 TYR A 6 11.274 -3.909 -5.046 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.171 -5.705 -2.739 1.00 0.00 H new ATOM 0 HE1 TYR A 6 12.927 -5.332 -3.923 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.826 -7.123 -1.620 1.00 0.00 H new ATOM 0 HH TYR A 6 11.936 -7.687 -1.416 1.00 0.00 H new ATOM 119 N GLY A 7 7.436 -1.410 -6.281 1.00 0.00 N ATOM 120 CA GLY A 7 6.322 -0.663 -6.848 1.00 0.00 C ATOM 121 C GLY A 7 6.803 0.612 -7.494 1.00 0.00 C ATOM 122 O GLY A 7 7.966 0.699 -7.897 1.00 0.00 O ATOM 0 H GLY A 7 8.062 -1.823 -6.972 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.805 -1.277 -7.586 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.600 -0.429 -6.066 1.00 0.00 H new ATOM 126 N ASN A 8 5.935 1.609 -7.592 1.00 0.00 N ATOM 127 CA ASN A 8 6.335 2.877 -8.205 1.00 0.00 C ATOM 128 C ASN A 8 6.735 3.914 -7.151 1.00 0.00 C ATOM 129 O ASN A 8 7.210 5.004 -7.481 1.00 0.00 O ATOM 130 CB ASN A 8 5.251 3.406 -9.165 1.00 0.00 C ATOM 131 CG ASN A 8 4.026 3.986 -8.481 1.00 0.00 C ATOM 132 OD1 ASN A 8 3.634 3.567 -7.390 1.00 0.00 O ATOM 133 ND2 ASN A 8 3.378 4.926 -9.160 1.00 0.00 N ATOM 0 H ASN A 8 4.970 1.572 -7.265 1.00 0.00 H new ATOM 0 HA ASN A 8 7.224 2.686 -8.806 1.00 0.00 H new ATOM 0 HB2 ASN A 8 5.692 4.173 -9.802 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.935 2.592 -9.818 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.521 5.330 -8.781 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.737 5.244 -10.060 1.00 0.00 H new ATOM 140 N ALA A 9 6.594 3.551 -5.878 1.00 0.00 N ATOM 141 CA ALA A 9 6.995 4.424 -4.784 1.00 0.00 C ATOM 142 C ALA A 9 8.496 4.296 -4.573 1.00 0.00 C ATOM 143 O ALA A 9 9.046 3.196 -4.659 1.00 0.00 O ATOM 144 CB ALA A 9 6.252 4.079 -3.510 1.00 0.00 C ATOM 0 H ALA A 9 6.204 2.656 -5.581 1.00 0.00 H new ATOM 0 HA ALA A 9 6.746 5.453 -5.042 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.572 4.747 -2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.180 4.193 -3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.469 3.048 -3.230 1.00 0.00 H new ATOM 150 N ASP A 10 9.160 5.414 -4.321 1.00 0.00 N ATOM 151 CA ASP A 10 10.607 5.415 -4.125 1.00 0.00 C ATOM 152 C ASP A 10 11.001 4.708 -2.840 1.00 0.00 C ATOM 153 O ASP A 10 12.073 4.109 -2.759 1.00 0.00 O ATOM 154 CB ASP A 10 11.156 6.842 -4.124 1.00 0.00 C ATOM 155 CG ASP A 10 10.951 7.514 -5.457 1.00 0.00 C ATOM 156 OD1 ASP A 10 11.431 6.971 -6.472 1.00 0.00 O ATOM 157 OD2 ASP A 10 10.300 8.576 -5.497 1.00 0.00 O ATOM 0 H ASP A 10 8.723 6.333 -4.247 1.00 0.00 H new ATOM 0 HA ASP A 10 11.044 4.867 -4.960 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.663 7.422 -3.344 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.219 6.824 -3.884 1.00 0.00 H new ATOM 162 N GLY A 11 10.136 4.774 -1.840 1.00 0.00 N ATOM 163 CA GLY A 11 10.431 4.124 -0.578 1.00 0.00 C ATOM 164 C GLY A 11 10.009 4.943 0.625 1.00 0.00 C ATOM 165 O GLY A 11 10.768 5.072 1.592 1.00 0.00 O ATOM 0 H GLY A 11 9.241 5.262 -1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.927 3.158 -0.547 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.501 3.927 -0.519 1.00 0.00 H new ATOM 169 N GLU A 12 8.798 5.481 0.575 1.00 0.00 N ATOM 170 CA GLU A 12 8.264 6.273 1.675 1.00 0.00 C ATOM 171 C GLU A 12 7.750 5.355 2.777 1.00 0.00 C ATOM 172 O GLU A 12 8.127 4.185 2.859 1.00 0.00 O ATOM 173 CB GLU A 12 7.122 7.181 1.191 1.00 0.00 C ATOM 174 CG GLU A 12 7.573 8.391 0.381 1.00 0.00 C ATOM 175 CD GLU A 12 8.028 8.042 -1.022 1.00 0.00 C ATOM 176 OE1 GLU A 12 7.715 6.934 -1.499 1.00 0.00 O ATOM 177 OE2 GLU A 12 8.673 8.893 -1.659 1.00 0.00 O ATOM 0 H GLU A 12 8.165 5.383 -0.219 1.00 0.00 H new ATOM 0 HA GLU A 12 9.067 6.898 2.065 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.437 6.589 0.584 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.560 7.529 2.058 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.752 9.105 0.321 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.389 8.887 0.907 1.00 0.00 H new ATOM 184 N TYR A 13 6.881 5.883 3.623 1.00 0.00 N ATOM 185 CA TYR A 13 6.318 5.129 4.690 1.00 0.00 C ATOM 186 C TYR A 13 4.806 5.065 4.488 1.00 0.00 C ATOM 187 O TYR A 13 4.181 6.077 4.150 1.00 0.00 O ATOM 188 CB TYR A 13 6.728 5.818 5.983 1.00 0.00 C ATOM 189 CG TYR A 13 5.692 5.806 7.046 1.00 0.00 C ATOM 190 CD1 TYR A 13 5.305 4.632 7.655 1.00 0.00 C ATOM 191 CD2 TYR A 13 5.093 6.983 7.426 1.00 0.00 C ATOM 192 CE1 TYR A 13 4.340 4.631 8.623 1.00 0.00 C ATOM 193 CE2 TYR A 13 4.128 7.004 8.388 1.00 0.00 C ATOM 194 CZ TYR A 13 3.747 5.823 8.994 1.00 0.00 C ATOM 195 OH TYR A 13 2.785 5.835 9.975 1.00 0.00 O ATOM 0 H TYR A 13 6.557 6.849 3.575 1.00 0.00 H new ATOM 0 HA TYR A 13 6.674 4.099 4.725 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.628 5.337 6.366 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.990 6.853 5.761 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.770 3.702 7.364 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.392 7.907 6.954 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.043 3.706 9.094 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.665 7.937 8.674 1.00 0.00 H new ATOM 0 HH TYR A 13 2.472 6.753 10.115 1.00 0.00 H new ATOM 205 N CYS A 14 4.238 3.869 4.651 1.00 0.00 N ATOM 206 CA CYS A 14 2.805 3.643 4.454 1.00 0.00 C ATOM 207 C CYS A 14 1.953 4.721 5.111 1.00 0.00 C ATOM 208 O CYS A 14 2.117 5.026 6.292 1.00 0.00 O ATOM 209 CB CYS A 14 2.415 2.281 5.013 1.00 0.00 C ATOM 210 SG CYS A 14 3.171 0.867 4.150 1.00 0.00 S ATOM 0 H CYS A 14 4.756 3.033 4.922 1.00 0.00 H new ATOM 0 HA CYS A 14 2.617 3.680 3.381 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.695 2.240 6.066 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.331 2.181 4.968 1.00 0.00 H new ATOM 215 N LYS A 15 1.026 5.279 4.343 1.00 0.00 N ATOM 216 CA LYS A 15 0.135 6.304 4.865 1.00 0.00 C ATOM 217 C LYS A 15 -1.094 5.643 5.463 1.00 0.00 C ATOM 218 O LYS A 15 -1.931 5.101 4.744 1.00 0.00 O ATOM 219 CB LYS A 15 -0.271 7.312 3.782 1.00 0.00 C ATOM 220 CG LYS A 15 -1.094 8.475 4.328 1.00 0.00 C ATOM 221 CD LYS A 15 -1.319 9.552 3.284 1.00 0.00 C ATOM 222 CE LYS A 15 -2.158 10.690 3.845 1.00 0.00 C ATOM 223 NZ LYS A 15 -2.310 11.804 2.876 1.00 0.00 N ATOM 0 H LYS A 15 0.873 5.040 3.363 1.00 0.00 H new ATOM 0 HA LYS A 15 0.667 6.860 5.637 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.626 7.703 3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.846 6.798 3.012 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.057 8.104 4.679 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.585 8.906 5.190 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.359 9.938 2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.817 9.122 2.415 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.143 10.312 4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.695 11.065 4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.889 12.557 3.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.373 12.183 2.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.776 11.454 2.015 1.00 0.00 H new ATOM 237 N PHE A 16 -1.179 5.666 6.782 1.00 0.00 N ATOM 238 CA PHE A 16 -2.292 5.047 7.492 1.00 0.00 C ATOM 239 C PHE A 16 -3.176 6.104 8.126 1.00 0.00 C ATOM 240 O PHE A 16 -2.695 6.968 8.864 1.00 0.00 O ATOM 241 CB PHE A 16 -1.762 4.085 8.559 1.00 0.00 C ATOM 242 CG PHE A 16 -1.039 2.895 7.989 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.290 2.466 6.696 1.00 0.00 C ATOM 244 CD2 PHE A 16 -0.110 2.207 8.747 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.628 1.379 6.167 1.00 0.00 C ATOM 246 CE2 PHE A 16 0.563 1.119 8.227 1.00 0.00 C ATOM 247 CZ PHE A 16 0.305 0.699 6.932 1.00 0.00 C ATOM 0 H PHE A 16 -0.488 6.108 7.388 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.892 4.485 6.776 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.087 4.627 9.222 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.596 3.736 9.168 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.016 2.991 6.093 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.092 2.525 9.759 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.837 1.058 5.157 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.290 0.595 8.830 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.828 -0.153 6.522 1.00 0.00 H new ATOM 257 N PRO A 17 -4.487 6.055 7.844 1.00 0.00 N ATOM 258 CA PRO A 17 -5.088 5.045 6.973 1.00 0.00 C ATOM 259 C PRO A 17 -5.133 5.477 5.510 1.00 0.00 C ATOM 260 O PRO A 17 -5.285 6.663 5.211 1.00 0.00 O ATOM 261 CB PRO A 17 -6.512 4.917 7.526 1.00 0.00 C ATOM 262 CG PRO A 17 -6.749 6.132 8.392 1.00 0.00 C ATOM 263 CD PRO A 17 -5.500 6.979 8.355 1.00 0.00 C ATOM 0 HA PRO A 17 -4.517 4.117 6.976 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.240 4.871 6.716 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.622 4.000 8.106 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.605 6.699 8.027 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.977 5.833 9.415 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.620 7.846 7.705 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.239 7.356 9.344 1.00 0.00 H new ATOM 271 N PHE A 18 -5.024 4.516 4.601 1.00 0.00 N ATOM 272 CA PHE A 18 -5.084 4.825 3.182 1.00 0.00 C ATOM 273 C PHE A 18 -6.441 4.420 2.631 1.00 0.00 C ATOM 274 O PHE A 18 -7.155 3.638 3.251 1.00 0.00 O ATOM 275 CB PHE A 18 -3.929 4.167 2.412 1.00 0.00 C ATOM 276 CG PHE A 18 -3.977 2.668 2.296 1.00 0.00 C ATOM 277 CD1 PHE A 18 -4.776 2.055 1.344 1.00 0.00 C ATOM 278 CD2 PHE A 18 -3.203 1.875 3.123 1.00 0.00 C ATOM 279 CE1 PHE A 18 -4.802 0.683 1.218 1.00 0.00 C ATOM 280 CE2 PHE A 18 -3.227 0.497 3.005 1.00 0.00 C ATOM 281 CZ PHE A 18 -4.028 -0.103 2.048 1.00 0.00 C ATOM 0 H PHE A 18 -4.895 3.528 4.819 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.966 5.900 3.049 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.904 4.588 1.407 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.993 4.443 2.897 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.387 2.661 0.692 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.573 2.336 3.869 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.429 0.222 0.469 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.621 -0.111 3.660 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.047 -1.179 1.952 1.00 0.00 H new ATOM 291 N LEU A 19 -6.812 4.983 1.492 1.00 0.00 N ATOM 292 CA LEU A 19 -8.111 4.704 0.895 1.00 0.00 C ATOM 293 C LEU A 19 -8.007 3.747 -0.290 1.00 0.00 C ATOM 294 O LEU A 19 -7.328 4.034 -1.279 1.00 0.00 O ATOM 295 CB LEU A 19 -8.764 6.017 0.450 1.00 0.00 C ATOM 296 CG LEU A 19 -10.256 5.937 0.140 1.00 0.00 C ATOM 297 CD1 LEU A 19 -11.042 5.615 1.400 1.00 0.00 C ATOM 298 CD2 LEU A 19 -10.739 7.244 -0.474 1.00 0.00 C ATOM 0 H LEU A 19 -6.234 5.635 0.962 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.726 4.218 1.652 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.613 6.761 1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.245 6.378 -0.438 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.420 5.136 -0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.104 5.561 1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.711 4.657 1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.875 6.396 2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.805 7.172 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.565 8.061 0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.194 7.435 -1.398 1.00 0.00 H new ATOM 310 N PHE A 20 -8.706 2.623 -0.186 1.00 0.00 N ATOM 311 CA PHE A 20 -8.734 1.617 -1.243 1.00 0.00 C ATOM 312 C PHE A 20 -10.175 1.322 -1.626 1.00 0.00 C ATOM 313 O PHE A 20 -10.888 0.653 -0.875 1.00 0.00 O ATOM 314 CB PHE A 20 -8.095 0.319 -0.767 1.00 0.00 C ATOM 315 CG PHE A 20 -7.799 -0.668 -1.854 1.00 0.00 C ATOM 316 CD1 PHE A 20 -7.667 -0.284 -3.179 1.00 0.00 C ATOM 317 CD2 PHE A 20 -7.654 -2.000 -1.528 1.00 0.00 C ATOM 318 CE1 PHE A 20 -7.395 -1.228 -4.155 1.00 0.00 C ATOM 319 CE2 PHE A 20 -7.384 -2.945 -2.493 1.00 0.00 C ATOM 320 CZ PHE A 20 -7.256 -2.559 -3.812 1.00 0.00 C ATOM 0 H PHE A 20 -9.268 2.383 0.631 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.180 2.006 -2.097 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.167 0.556 -0.247 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.757 -0.150 -0.039 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.777 0.755 -3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.754 -2.308 -0.498 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.291 -0.923 -5.186 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.273 -3.984 -2.219 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.048 -3.296 -4.574 1.00 0.00 H new ATOM 330 N ASN A 21 -10.600 1.818 -2.783 1.00 0.00 N ATOM 331 CA ASN A 21 -11.969 1.607 -3.272 1.00 0.00 C ATOM 332 C ASN A 21 -13.021 2.073 -2.261 1.00 0.00 C ATOM 333 O ASN A 21 -14.161 1.599 -2.275 1.00 0.00 O ATOM 334 CB ASN A 21 -12.207 0.129 -3.613 1.00 0.00 C ATOM 335 CG ASN A 21 -11.375 -0.345 -4.791 1.00 0.00 C ATOM 336 OD1 ASN A 21 -11.440 0.220 -5.883 1.00 0.00 O ATOM 337 ND2 ASN A 21 -10.605 -1.404 -4.587 1.00 0.00 N ATOM 0 H ASN A 21 -10.016 2.374 -3.408 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.074 2.209 -4.174 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.975 -0.482 -2.741 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.263 -0.022 -3.836 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.040 -1.778 -5.349 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.578 -1.845 -3.668 1.00 0.00 H new ATOM 344 N GLY A 22 -12.646 3.010 -1.396 1.00 0.00 N ATOM 345 CA GLY A 22 -13.578 3.527 -0.411 1.00 0.00 C ATOM 346 C GLY A 22 -13.375 2.969 0.983 1.00 0.00 C ATOM 347 O GLY A 22 -14.124 3.306 1.899 1.00 0.00 O ATOM 0 H GLY A 22 -11.713 3.421 -1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.486 4.612 -0.374 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.594 3.304 -0.736 1.00 0.00 H new ATOM 351 N LYS A 23 -12.373 2.123 1.168 1.00 0.00 N ATOM 352 CA LYS A 23 -12.114 1.551 2.487 1.00 0.00 C ATOM 353 C LYS A 23 -10.759 2.011 3.008 1.00 0.00 C ATOM 354 O LYS A 23 -9.774 2.010 2.273 1.00 0.00 O ATOM 355 CB LYS A 23 -12.162 0.020 2.434 1.00 0.00 C ATOM 356 CG LYS A 23 -12.076 -0.645 3.807 1.00 0.00 C ATOM 357 CD LYS A 23 -11.984 -2.156 3.700 1.00 0.00 C ATOM 358 CE LYS A 23 -13.153 -2.751 2.943 1.00 0.00 C ATOM 359 NZ LYS A 23 -13.055 -4.230 2.892 1.00 0.00 N ATOM 0 H LYS A 23 -11.732 1.819 0.435 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.892 1.900 3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.087 -0.289 1.948 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.341 -0.339 1.814 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.204 -0.265 4.340 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.953 -0.376 4.396 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.054 -2.427 3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.945 -2.587 4.700 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.087 -2.461 3.423 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.177 -2.349 1.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.867 -4.614 2.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.173 -4.503 2.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.055 -4.612 3.859 1.00 0.00 H new ATOM 373 N GLU A 24 -10.708 2.401 4.273 1.00 0.00 N ATOM 374 CA GLU A 24 -9.462 2.856 4.870 1.00 0.00 C ATOM 375 C GLU A 24 -8.743 1.705 5.570 1.00 0.00 C ATOM 376 O GLU A 24 -9.354 0.949 6.327 1.00 0.00 O ATOM 377 CB GLU A 24 -9.739 3.977 5.868 1.00 0.00 C ATOM 378 CG GLU A 24 -10.506 5.146 5.283 1.00 0.00 C ATOM 379 CD GLU A 24 -10.784 6.221 6.305 1.00 0.00 C ATOM 380 OE1 GLU A 24 -10.284 6.107 7.443 1.00 0.00 O ATOM 381 OE2 GLU A 24 -11.500 7.179 5.971 1.00 0.00 O ATOM 0 H GLU A 24 -11.510 2.412 4.903 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.819 3.232 4.074 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.301 3.571 6.709 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.791 4.340 6.264 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.938 5.573 4.456 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.449 4.788 4.870 1.00 0.00 H new ATOM 388 N TYR A 25 -7.446 1.576 5.317 1.00 0.00 N ATOM 389 CA TYR A 25 -6.656 0.514 5.929 1.00 0.00 C ATOM 390 C TYR A 25 -5.619 1.086 6.873 1.00 0.00 C ATOM 391 O TYR A 25 -4.906 2.032 6.536 1.00 0.00 O ATOM 392 CB TYR A 25 -5.969 -0.336 4.862 1.00 0.00 C ATOM 393 CG TYR A 25 -6.926 -1.139 4.018 1.00 0.00 C ATOM 394 CD1 TYR A 25 -7.689 -0.525 3.038 1.00 0.00 C ATOM 395 CD2 TYR A 25 -7.069 -2.507 4.203 1.00 0.00 C ATOM 396 CE1 TYR A 25 -8.575 -1.248 2.262 1.00 0.00 C ATOM 397 CE2 TYR A 25 -7.954 -3.238 3.429 1.00 0.00 C ATOM 398 CZ TYR A 25 -8.698 -2.605 2.463 1.00 0.00 C ATOM 399 OH TYR A 25 -9.578 -3.332 1.700 1.00 0.00 O ATOM 0 H TYR A 25 -6.921 2.191 4.695 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.338 -0.118 6.498 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.384 0.315 4.212 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.268 -1.015 5.347 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.590 0.538 2.878 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.483 -3.007 4.960 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.166 -0.753 1.505 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.059 -4.302 3.584 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.197 -2.723 1.245 1.00 0.00 H new ATOM 409 N ASN A 26 -5.533 0.496 8.056 1.00 0.00 N ATOM 410 CA ASN A 26 -4.571 0.932 9.062 1.00 0.00 C ATOM 411 C ASN A 26 -3.314 0.075 8.995 1.00 0.00 C ATOM 412 O ASN A 26 -2.444 0.170 9.861 1.00 0.00 O ATOM 413 CB ASN A 26 -5.158 0.861 10.482 1.00 0.00 C ATOM 414 CG ASN A 26 -6.246 1.888 10.754 1.00 0.00 C ATOM 415 OD1 ASN A 26 -6.587 2.145 11.910 1.00 0.00 O ATOM 416 ND2 ASN A 26 -6.815 2.464 9.705 1.00 0.00 N ATOM 0 H ASN A 26 -6.118 -0.288 8.345 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.324 1.971 8.845 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.565 -0.137 10.646 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.353 1.000 11.204 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.562 3.145 9.840 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.506 2.226 8.763 1.00 0.00 H new ATOM 423 N SER A 27 -3.228 -0.766 7.973 1.00 0.00 N ATOM 424 CA SER A 27 -2.082 -1.644 7.801 1.00 0.00 C ATOM 425 C SER A 27 -1.941 -2.058 6.340 1.00 0.00 C ATOM 426 O SER A 27 -2.693 -1.597 5.479 1.00 0.00 O ATOM 427 CB SER A 27 -2.233 -2.880 8.692 1.00 0.00 C ATOM 428 OG SER A 27 -3.517 -3.470 8.536 1.00 0.00 O ATOM 0 H SER A 27 -3.941 -0.858 7.250 1.00 0.00 H new ATOM 0 HA SER A 27 -1.181 -1.105 8.093 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.462 -3.609 8.442 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.082 -2.601 9.735 1.00 0.00 H new ATOM 0 HG SER A 27 -3.587 -4.258 9.114 1.00 0.00 H new ATOM 434 N CYS A 28 -0.990 -2.939 6.062 1.00 0.00 N ATOM 435 CA CYS A 28 -0.777 -3.424 4.708 1.00 0.00 C ATOM 436 C CYS A 28 -1.766 -4.543 4.417 1.00 0.00 C ATOM 437 O CYS A 28 -1.949 -5.443 5.238 1.00 0.00 O ATOM 438 CB CYS A 28 0.650 -3.938 4.541 1.00 0.00 C ATOM 439 SG CYS A 28 1.938 -2.735 5.002 1.00 0.00 S ATOM 0 H CYS A 28 -0.355 -3.332 6.757 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.931 -2.603 4.007 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.774 -4.836 5.147 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.799 -4.232 3.502 1.00 0.00 H new ATOM 444 N THR A 29 -2.412 -4.480 3.263 1.00 0.00 N ATOM 445 CA THR A 29 -3.388 -5.485 2.895 1.00 0.00 C ATOM 446 C THR A 29 -3.000 -6.176 1.593 1.00 0.00 C ATOM 447 O THR A 29 -2.255 -5.619 0.790 1.00 0.00 O ATOM 448 CB THR A 29 -4.776 -4.843 2.784 1.00 0.00 C ATOM 449 OG1 THR A 29 -5.771 -5.825 2.582 1.00 0.00 O ATOM 450 CG2 THR A 29 -4.902 -3.823 1.663 1.00 0.00 C ATOM 0 H THR A 29 -2.276 -3.745 2.569 1.00 0.00 H new ATOM 0 HA THR A 29 -3.415 -6.248 3.673 1.00 0.00 H new ATOM 0 HB THR A 29 -4.914 -4.323 3.732 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.548 -5.624 3.144 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.913 -3.417 1.653 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.188 -3.015 1.824 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.695 -4.305 0.708 1.00 0.00 H new ATOM 458 N ASP A 30 -3.522 -7.383 1.388 1.00 0.00 N ATOM 459 CA ASP A 30 -3.245 -8.135 0.173 1.00 0.00 C ATOM 460 C ASP A 30 -4.444 -8.046 -0.752 1.00 0.00 C ATOM 461 O ASP A 30 -4.525 -8.751 -1.757 1.00 0.00 O ATOM 462 CB ASP A 30 -2.917 -9.601 0.452 1.00 0.00 C ATOM 463 CG ASP A 30 -2.567 -9.899 1.897 1.00 0.00 C ATOM 464 OD1 ASP A 30 -3.427 -9.701 2.778 1.00 0.00 O ATOM 465 OD2 ASP A 30 -1.436 -10.354 2.149 1.00 0.00 O ATOM 0 H ASP A 30 -4.138 -7.858 2.048 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.365 -7.694 -0.295 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.771 -10.213 0.164 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.082 -9.901 -0.181 1.00 0.00 H new ATOM 470 N THR A 31 -5.375 -7.171 -0.389 1.00 0.00 N ATOM 471 CA THR A 31 -6.590 -6.956 -1.163 1.00 0.00 C ATOM 472 C THR A 31 -6.235 -6.419 -2.548 1.00 0.00 C ATOM 473 O THR A 31 -5.325 -5.599 -2.689 1.00 0.00 O ATOM 474 CB THR A 31 -7.508 -5.972 -0.424 1.00 0.00 C ATOM 475 OG1 THR A 31 -7.751 -6.416 0.904 1.00 0.00 O ATOM 476 CG2 THR A 31 -8.856 -5.762 -1.090 1.00 0.00 C ATOM 0 H THR A 31 -5.308 -6.592 0.448 1.00 0.00 H new ATOM 0 HA THR A 31 -7.116 -7.904 -1.282 1.00 0.00 H new ATOM 0 HB THR A 31 -6.971 -5.023 -0.441 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.972 -6.216 1.463 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.444 -5.054 -0.506 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.708 -5.368 -2.096 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.386 -6.713 -1.147 1.00 0.00 H new ATOM 484 N GLY A 32 -6.932 -6.898 -3.568 1.00 0.00 N ATOM 485 CA GLY A 32 -6.651 -6.466 -4.919 1.00 0.00 C ATOM 486 C GLY A 32 -5.552 -7.295 -5.543 1.00 0.00 C ATOM 487 O GLY A 32 -5.404 -7.342 -6.762 1.00 0.00 O ATOM 0 H GLY A 32 -7.687 -7.578 -3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.555 -6.543 -5.523 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.359 -5.416 -4.914 1.00 0.00 H new ATOM 491 N ARG A 33 -4.786 -7.957 -4.686 1.00 0.00 N ATOM 492 CA ARG A 33 -3.695 -8.807 -5.119 1.00 0.00 C ATOM 493 C ARG A 33 -4.140 -10.260 -5.096 1.00 0.00 C ATOM 494 O ARG A 33 -4.875 -10.674 -4.198 1.00 0.00 O ATOM 495 CB ARG A 33 -2.481 -8.624 -4.206 1.00 0.00 C ATOM 496 CG ARG A 33 -2.101 -7.168 -3.976 1.00 0.00 C ATOM 497 CD ARG A 33 -1.708 -6.465 -5.270 1.00 0.00 C ATOM 498 NE ARG A 33 -0.515 -7.056 -5.874 1.00 0.00 N ATOM 499 CZ ARG A 33 0.207 -6.462 -6.824 1.00 0.00 C ATOM 500 NH1 ARG A 33 -0.108 -5.234 -7.233 1.00 0.00 N ATOM 501 NH2 ARG A 33 1.232 -7.102 -7.366 1.00 0.00 N ATOM 0 H ARG A 33 -4.906 -7.917 -3.674 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.414 -8.528 -6.135 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.688 -9.093 -3.244 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.629 -9.148 -4.640 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.940 -6.643 -3.519 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -1.272 -7.118 -3.271 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.536 -6.517 -5.977 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.527 -5.409 -5.068 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.218 -7.976 -5.550 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.903 -4.747 -6.819 1.00 0.00 H new ATOM 0 HH12 ARG A 33 0.446 -4.781 -7.960 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.466 -8.045 -7.056 1.00 0.00 H new ATOM 0 HH22 ARG A 33 1.788 -6.652 -8.093 1.00 0.00 H new ATOM 515 N SER A 34 -3.704 -11.033 -6.076 1.00 0.00 N ATOM 516 CA SER A 34 -4.075 -12.438 -6.148 1.00 0.00 C ATOM 517 C SER A 34 -2.945 -13.325 -5.634 1.00 0.00 C ATOM 518 O SER A 34 -3.111 -14.535 -5.490 1.00 0.00 O ATOM 519 CB SER A 34 -4.425 -12.814 -7.586 1.00 0.00 C ATOM 520 OG SER A 34 -5.347 -11.888 -8.143 1.00 0.00 O ATOM 0 H SER A 34 -3.095 -10.715 -6.830 1.00 0.00 H new ATOM 0 HA SER A 34 -4.948 -12.595 -5.515 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.518 -12.838 -8.190 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.851 -13.817 -7.610 1.00 0.00 H new ATOM 0 HG SER A 34 -5.555 -12.148 -9.065 1.00 0.00 H new ATOM 526 N ASP A 35 -1.789 -12.718 -5.377 1.00 0.00 N ATOM 527 CA ASP A 35 -0.631 -13.453 -4.900 1.00 0.00 C ATOM 528 C ASP A 35 -0.363 -13.210 -3.425 1.00 0.00 C ATOM 529 O ASP A 35 0.729 -13.500 -2.932 1.00 0.00 O ATOM 530 CB ASP A 35 0.588 -13.069 -5.708 1.00 0.00 C ATOM 531 CG ASP A 35 0.606 -13.679 -7.088 1.00 0.00 C ATOM 532 OD1 ASP A 35 -0.334 -14.421 -7.427 1.00 0.00 O ATOM 533 OD2 ASP A 35 1.564 -13.413 -7.839 1.00 0.00 O ATOM 0 H ASP A 35 -1.634 -11.717 -5.493 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.845 -14.515 -5.025 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.629 -11.983 -5.798 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.484 -13.378 -5.170 1.00 0.00 H new ATOM 538 N GLY A 36 -1.359 -12.688 -2.724 1.00 0.00 N ATOM 539 CA GLY A 36 -1.217 -12.422 -1.302 1.00 0.00 C ATOM 540 C GLY A 36 -0.053 -11.506 -0.969 1.00 0.00 C ATOM 541 O GLY A 36 0.695 -11.767 -0.027 1.00 0.00 O ATOM 0 H GLY A 36 -2.269 -12.442 -3.115 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.139 -11.974 -0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.087 -13.367 -0.775 1.00 0.00 H new ATOM 545 N PHE A 37 0.101 -10.430 -1.730 1.00 0.00 N ATOM 546 CA PHE A 37 1.177 -9.480 -1.479 1.00 0.00 C ATOM 547 C PHE A 37 0.640 -8.277 -0.720 1.00 0.00 C ATOM 548 O PHE A 37 -0.313 -7.634 -1.162 1.00 0.00 O ATOM 549 CB PHE A 37 1.837 -9.029 -2.785 1.00 0.00 C ATOM 550 CG PHE A 37 2.887 -9.974 -3.296 1.00 0.00 C ATOM 551 CD1 PHE A 37 3.988 -10.290 -2.518 1.00 0.00 C ATOM 552 CD2 PHE A 37 2.775 -10.543 -4.556 1.00 0.00 C ATOM 553 CE1 PHE A 37 4.960 -11.156 -2.986 1.00 0.00 C ATOM 554 CE2 PHE A 37 3.744 -11.409 -5.028 1.00 0.00 C ATOM 555 CZ PHE A 37 4.838 -11.715 -4.240 1.00 0.00 C ATOM 0 H PHE A 37 -0.500 -10.194 -2.520 1.00 0.00 H new ATOM 0 HA PHE A 37 1.935 -9.978 -0.875 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.067 -8.911 -3.547 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.288 -8.049 -2.633 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.089 -9.855 -1.534 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.922 -10.307 -5.175 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.814 -11.394 -2.369 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.646 -11.846 -6.011 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.596 -12.391 -4.607 1.00 0.00 H new ATOM 565 N LEU A 38 1.245 -7.984 0.425 1.00 0.00 N ATOM 566 CA LEU A 38 0.812 -6.863 1.244 1.00 0.00 C ATOM 567 C LEU A 38 1.339 -5.560 0.680 1.00 0.00 C ATOM 568 O LEU A 38 2.530 -5.435 0.372 1.00 0.00 O ATOM 569 CB LEU A 38 1.272 -7.031 2.687 1.00 0.00 C ATOM 570 CG LEU A 38 0.811 -8.315 3.374 1.00 0.00 C ATOM 571 CD1 LEU A 38 1.833 -9.425 3.186 1.00 0.00 C ATOM 572 CD2 LEU A 38 0.561 -8.064 4.848 1.00 0.00 C ATOM 0 H LEU A 38 2.034 -8.507 0.805 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.278 -6.839 1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.361 -6.997 2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.914 -6.180 3.266 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.124 -8.634 2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.483 -10.330 3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.963 -9.623 2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.786 -9.119 3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.233 -8.988 5.324 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.481 -7.720 5.320 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.211 -7.303 4.962 1.00 0.00 H new ATOM 584 N TRP A 39 0.457 -4.592 0.535 1.00 0.00 N ATOM 585 CA TRP A 39 0.848 -3.309 -0.006 1.00 0.00 C ATOM 586 C TRP A 39 0.165 -2.168 0.738 1.00 0.00 C ATOM 587 O TRP A 39 -0.730 -2.387 1.556 1.00 0.00 O ATOM 588 CB TRP A 39 0.513 -3.233 -1.504 1.00 0.00 C ATOM 589 CG TRP A 39 -0.957 -3.319 -1.804 1.00 0.00 C ATOM 590 CD1 TRP A 39 -1.721 -4.449 -1.862 1.00 0.00 C ATOM 591 CD2 TRP A 39 -1.845 -2.221 -2.058 1.00 0.00 C ATOM 592 NE1 TRP A 39 -3.018 -4.124 -2.155 1.00 0.00 N ATOM 593 CE2 TRP A 39 -3.119 -2.765 -2.277 1.00 0.00 C ATOM 594 CE3 TRP A 39 -1.685 -0.830 -2.130 1.00 0.00 C ATOM 595 CZ2 TRP A 39 -4.222 -1.971 -2.557 1.00 0.00 C ATOM 596 CZ3 TRP A 39 -2.788 -0.049 -2.409 1.00 0.00 C ATOM 597 CH2 TRP A 39 -4.039 -0.624 -2.620 1.00 0.00 C ATOM 0 H TRP A 39 -0.529 -4.669 0.783 1.00 0.00 H new ATOM 0 HA TRP A 39 1.925 -3.207 0.123 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.902 -2.298 -1.906 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.028 -4.042 -2.023 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -1.356 -5.452 -1.700 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.785 -4.787 -2.265 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.717 -0.378 -1.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.196 -2.409 -2.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.680 1.024 -2.465 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.883 0.014 -2.839 1.00 0.00 H new ATOM 608 N CYS A 40 0.596 -0.956 0.431 1.00 0.00 N ATOM 609 CA CYS A 40 0.051 0.253 1.026 1.00 0.00 C ATOM 610 C CYS A 40 0.313 1.403 0.066 1.00 0.00 C ATOM 611 O CYS A 40 1.208 1.310 -0.774 1.00 0.00 O ATOM 612 CB CYS A 40 0.713 0.540 2.373 1.00 0.00 C ATOM 613 SG CYS A 40 2.470 1.013 2.248 1.00 0.00 S ATOM 0 H CYS A 40 1.341 -0.782 -0.244 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.018 0.131 1.199 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.166 1.340 2.872 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.629 -0.345 3.004 1.00 0.00 H new ATOM 618 N SER A 41 -0.441 2.480 0.167 1.00 0.00 N ATOM 619 CA SER A 41 -0.222 3.604 -0.723 1.00 0.00 C ATOM 620 C SER A 41 0.483 4.738 0.017 1.00 0.00 C ATOM 621 O SER A 41 0.318 4.897 1.231 1.00 0.00 O ATOM 622 CB SER A 41 -1.547 4.085 -1.322 1.00 0.00 C ATOM 623 OG SER A 41 -2.519 4.295 -0.314 1.00 0.00 O ATOM 0 H SER A 41 -1.196 2.601 0.842 1.00 0.00 H new ATOM 0 HA SER A 41 0.420 3.278 -1.542 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.385 5.011 -1.873 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.914 3.349 -2.037 1.00 0.00 H new ATOM 0 HG SER A 41 -2.510 5.236 -0.042 1.00 0.00 H new ATOM 629 N THR A 42 1.263 5.530 -0.714 1.00 0.00 N ATOM 630 CA THR A 42 1.968 6.656 -0.119 1.00 0.00 C ATOM 631 C THR A 42 1.012 7.838 -0.039 1.00 0.00 C ATOM 632 O THR A 42 1.217 8.784 0.724 1.00 0.00 O ATOM 633 CB THR A 42 3.191 7.010 -0.968 1.00 0.00 C ATOM 634 OG1 THR A 42 3.968 5.851 -1.217 1.00 0.00 O ATOM 635 CG2 THR A 42 4.097 8.045 -0.330 1.00 0.00 C ATOM 0 H THR A 42 1.421 5.412 -1.715 1.00 0.00 H new ATOM 0 HA THR A 42 2.312 6.398 0.883 1.00 0.00 H new ATOM 0 HB THR A 42 2.792 7.432 -1.890 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.746 6.090 -1.762 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.942 8.245 -0.989 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.538 8.966 -0.166 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.463 7.669 0.625 1.00 0.00 H new ATOM 643 N THR A 43 -0.041 7.754 -0.835 1.00 0.00 N ATOM 644 CA THR A 43 -1.059 8.779 -0.882 1.00 0.00 C ATOM 645 C THR A 43 -2.330 8.287 -0.199 1.00 0.00 C ATOM 646 O THR A 43 -2.367 7.169 0.321 1.00 0.00 O ATOM 647 CB THR A 43 -1.328 9.147 -2.336 1.00 0.00 C ATOM 648 OG1 THR A 43 -1.609 7.985 -3.102 1.00 0.00 O ATOM 649 CG2 THR A 43 -0.162 9.853 -2.986 1.00 0.00 C ATOM 0 H THR A 43 -0.210 6.971 -1.466 1.00 0.00 H new ATOM 0 HA THR A 43 -0.716 9.666 -0.350 1.00 0.00 H new ATOM 0 HB THR A 43 -2.184 9.822 -2.318 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.949 7.900 -3.821 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.411 10.090 -4.020 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.054 10.774 -2.444 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.714 9.205 -2.963 1.00 0.00 H new ATOM 657 N TYR A 44 -3.369 9.108 -0.204 1.00 0.00 N ATOM 658 CA TYR A 44 -4.625 8.730 0.419 1.00 0.00 C ATOM 659 C TYR A 44 -5.463 7.896 -0.536 1.00 0.00 C ATOM 660 O TYR A 44 -5.707 6.718 -0.294 1.00 0.00 O ATOM 661 CB TYR A 44 -5.404 9.972 0.851 1.00 0.00 C ATOM 662 CG TYR A 44 -6.560 9.672 1.795 1.00 0.00 C ATOM 663 CD1 TYR A 44 -6.327 9.169 3.071 1.00 0.00 C ATOM 664 CD2 TYR A 44 -7.882 9.896 1.415 1.00 0.00 C ATOM 665 CE1 TYR A 44 -7.372 8.903 3.939 1.00 0.00 C ATOM 666 CE2 TYR A 44 -8.930 9.628 2.278 1.00 0.00 C ATOM 667 CZ TYR A 44 -8.668 9.132 3.537 1.00 0.00 C ATOM 668 OH TYR A 44 -9.708 8.878 4.403 1.00 0.00 O ATOM 0 H TYR A 44 -3.367 10.035 -0.630 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.401 8.132 1.303 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.720 10.668 1.338 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.792 10.474 -0.036 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.312 8.983 3.390 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.092 10.286 0.430 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.171 8.517 4.928 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.949 9.807 1.966 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.558 9.093 3.965 1.00 0.00 H new ATOM 678 N ASN A 45 -5.900 8.509 -1.626 1.00 0.00 N ATOM 679 CA ASN A 45 -6.714 7.806 -2.611 1.00 0.00 C ATOM 680 C ASN A 45 -5.811 7.092 -3.614 1.00 0.00 C ATOM 681 O ASN A 45 -5.118 7.734 -4.401 1.00 0.00 O ATOM 682 CB ASN A 45 -7.632 8.808 -3.327 1.00 0.00 C ATOM 683 CG ASN A 45 -8.760 8.200 -4.106 1.00 0.00 C ATOM 684 OD1 ASN A 45 -9.724 8.895 -4.425 1.00 0.00 O ATOM 685 ND2 ASN A 45 -8.666 6.944 -4.472 1.00 0.00 N ATOM 0 H ASN A 45 -5.707 9.485 -1.852 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.331 7.060 -2.110 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.050 9.488 -2.584 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.027 9.410 -4.005 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.403 6.520 -5.035 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.856 6.391 -4.193 1.00 0.00 H new ATOM 692 N PHE A 46 -5.806 5.761 -3.571 1.00 0.00 N ATOM 693 CA PHE A 46 -4.966 4.966 -4.470 1.00 0.00 C ATOM 694 C PHE A 46 -5.372 5.151 -5.933 1.00 0.00 C ATOM 695 O PHE A 46 -4.528 5.380 -6.790 1.00 0.00 O ATOM 696 CB PHE A 46 -5.049 3.481 -4.111 1.00 0.00 C ATOM 697 CG PHE A 46 -4.140 2.606 -4.950 1.00 0.00 C ATOM 698 CD1 PHE A 46 -2.912 3.077 -5.407 1.00 0.00 C ATOM 699 CD2 PHE A 46 -4.507 1.307 -5.274 1.00 0.00 C ATOM 700 CE1 PHE A 46 -2.085 2.278 -6.165 1.00 0.00 C ATOM 701 CE2 PHE A 46 -3.677 0.505 -6.033 1.00 0.00 C ATOM 702 CZ PHE A 46 -2.467 0.989 -6.480 1.00 0.00 C ATOM 0 H PHE A 46 -6.372 5.210 -2.926 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.942 5.318 -4.346 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.793 3.355 -3.059 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -6.078 3.143 -4.231 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.604 4.083 -5.164 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.454 0.918 -4.928 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -1.137 2.660 -6.513 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.977 -0.503 -6.276 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.819 0.362 -7.075 1.00 0.00 H new ATOM 712 N GLU A 47 -6.662 5.017 -6.214 1.00 0.00 N ATOM 713 CA GLU A 47 -7.181 5.139 -7.579 1.00 0.00 C ATOM 714 C GLU A 47 -6.816 6.483 -8.211 1.00 0.00 C ATOM 715 O GLU A 47 -6.465 6.555 -9.390 1.00 0.00 O ATOM 716 CB GLU A 47 -8.701 4.974 -7.561 1.00 0.00 C ATOM 717 CG GLU A 47 -9.319 4.711 -8.925 1.00 0.00 C ATOM 718 CD GLU A 47 -10.790 4.383 -8.831 1.00 0.00 C ATOM 719 OE1 GLU A 47 -11.554 5.225 -8.322 1.00 0.00 O ATOM 720 OE2 GLU A 47 -11.181 3.281 -9.249 1.00 0.00 O ATOM 0 H GLU A 47 -7.376 4.822 -5.512 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.724 4.355 -8.183 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.957 4.151 -6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.147 5.875 -7.141 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.184 5.588 -9.558 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.795 3.886 -9.407 1.00 0.00 H new ATOM 727 N LYS A 48 -6.931 7.542 -7.423 1.00 0.00 N ATOM 728 CA LYS A 48 -6.647 8.895 -7.895 1.00 0.00 C ATOM 729 C LYS A 48 -5.156 9.143 -8.164 1.00 0.00 C ATOM 730 O LYS A 48 -4.793 9.638 -9.232 1.00 0.00 O ATOM 731 CB LYS A 48 -7.188 9.926 -6.885 1.00 0.00 C ATOM 732 CG LYS A 48 -6.447 11.266 -6.870 1.00 0.00 C ATOM 733 CD LYS A 48 -7.011 12.201 -5.816 1.00 0.00 C ATOM 734 CE LYS A 48 -6.162 13.451 -5.657 1.00 0.00 C ATOM 735 NZ LYS A 48 -4.801 13.143 -5.135 1.00 0.00 N ATOM 0 H LYS A 48 -7.221 7.492 -6.446 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.155 9.009 -8.853 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.239 10.111 -7.106 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.144 9.492 -5.886 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.388 11.095 -6.677 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.521 11.735 -7.851 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.028 12.485 -6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.071 11.678 -4.861 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.075 13.954 -6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.661 14.144 -4.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.616 13.717 -4.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.744 12.134 -4.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.092 13.362 -5.864 1.00 0.00 H new ATOM 749 N ASP A 49 -4.302 8.848 -7.188 1.00 0.00 N ATOM 750 CA ASP A 49 -2.865 9.099 -7.335 1.00 0.00 C ATOM 751 C ASP A 49 -2.152 7.962 -8.060 1.00 0.00 C ATOM 752 O ASP A 49 -1.479 8.186 -9.064 1.00 0.00 O ATOM 753 CB ASP A 49 -2.219 9.339 -5.967 1.00 0.00 C ATOM 754 CG ASP A 49 -2.757 10.578 -5.277 1.00 0.00 C ATOM 755 OD1 ASP A 49 -3.949 10.590 -4.913 1.00 0.00 O ATOM 756 OD2 ASP A 49 -1.989 11.542 -5.100 1.00 0.00 O ATOM 0 H ASP A 49 -4.573 8.439 -6.294 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.758 9.995 -7.946 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.390 8.470 -5.331 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.140 9.436 -6.091 1.00 0.00 H new ATOM 761 N GLY A 50 -2.306 6.747 -7.557 1.00 0.00 N ATOM 762 CA GLY A 50 -1.675 5.605 -8.182 1.00 0.00 C ATOM 763 C GLY A 50 -0.339 5.237 -7.563 1.00 0.00 C ATOM 764 O GLY A 50 0.324 4.311 -8.028 1.00 0.00 O ATOM 0 H GLY A 50 -2.857 6.532 -6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.345 4.748 -8.116 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.530 5.815 -9.242 1.00 0.00 H new ATOM 768 N LYS A 51 0.054 5.944 -6.509 1.00 0.00 N ATOM 769 CA LYS A 51 1.318 5.663 -5.830 1.00 0.00 C ATOM 770 C LYS A 51 1.137 4.545 -4.814 1.00 0.00 C ATOM 771 O LYS A 51 0.302 4.647 -3.912 1.00 0.00 O ATOM 772 CB LYS A 51 1.863 6.914 -5.132 1.00 0.00 C ATOM 773 CG LYS A 51 2.524 7.915 -6.064 1.00 0.00 C ATOM 774 CD LYS A 51 1.522 8.701 -6.900 1.00 0.00 C ATOM 775 CE LYS A 51 2.230 9.629 -7.883 1.00 0.00 C ATOM 776 NZ LYS A 51 1.284 10.514 -8.611 1.00 0.00 N ATOM 0 H LYS A 51 -0.481 6.713 -6.106 1.00 0.00 H new ATOM 0 HA LYS A 51 2.038 5.349 -6.586 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.045 7.409 -4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.586 6.608 -4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.123 8.610 -5.476 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.209 7.388 -6.728 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.879 8.010 -7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.877 9.286 -6.244 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.953 10.241 -7.344 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.791 9.032 -8.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.814 11.124 -9.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.609 9.933 -9.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.767 11.105 -7.929 1.00 0.00 H new ATOM 790 N TYR A 52 1.911 3.477 -4.962 1.00 0.00 N ATOM 791 CA TYR A 52 1.817 2.343 -4.063 1.00 0.00 C ATOM 792 C TYR A 52 3.166 1.662 -3.922 1.00 0.00 C ATOM 793 O TYR A 52 4.120 1.978 -4.634 1.00 0.00 O ATOM 794 CB TYR A 52 0.801 1.335 -4.610 1.00 0.00 C ATOM 795 CG TYR A 52 1.278 0.620 -5.857 1.00 0.00 C ATOM 796 CD1 TYR A 52 2.005 -0.561 -5.768 1.00 0.00 C ATOM 797 CD2 TYR A 52 1.026 1.139 -7.120 1.00 0.00 C ATOM 798 CE1 TYR A 52 2.463 -1.204 -6.896 1.00 0.00 C ATOM 799 CE2 TYR A 52 1.479 0.498 -8.255 1.00 0.00 C ATOM 800 CZ TYR A 52 2.196 -0.670 -8.137 1.00 0.00 C ATOM 801 OH TYR A 52 2.653 -1.305 -9.265 1.00 0.00 O ATOM 0 H TYR A 52 2.610 3.376 -5.698 1.00 0.00 H new ATOM 0 HA TYR A 52 1.496 2.702 -3.085 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.580 0.597 -3.839 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.132 1.854 -4.831 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.215 -0.982 -4.796 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.467 2.058 -7.216 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.028 -2.121 -6.808 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.272 0.911 -9.231 1.00 0.00 H new ATOM 0 HH TYR A 52 2.379 -0.800 -10.059 1.00 0.00 H new ATOM 811 N GLY A 53 3.224 0.704 -3.023 1.00 0.00 N ATOM 812 CA GLY A 53 4.429 -0.045 -2.809 1.00 0.00 C ATOM 813 C GLY A 53 4.177 -1.209 -1.899 1.00 0.00 C ATOM 814 O GLY A 53 3.161 -1.247 -1.201 1.00 0.00 O ATOM 0 H GLY A 53 2.442 0.429 -2.428 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.816 -0.401 -3.764 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.193 0.602 -2.377 1.00 0.00 H new ATOM 818 N PHE A 54 5.072 -2.175 -1.907 1.00 0.00 N ATOM 819 CA PHE A 54 4.891 -3.347 -1.074 1.00 0.00 C ATOM 820 C PHE A 54 5.639 -3.217 0.237 1.00 0.00 C ATOM 821 O PHE A 54 6.746 -2.679 0.281 1.00 0.00 O ATOM 822 CB PHE A 54 5.321 -4.604 -1.818 1.00 0.00 C ATOM 823 CG PHE A 54 4.587 -4.794 -3.113 1.00 0.00 C ATOM 824 CD1 PHE A 54 3.206 -4.900 -3.132 1.00 0.00 C ATOM 825 CD2 PHE A 54 5.275 -4.849 -4.312 1.00 0.00 C ATOM 826 CE1 PHE A 54 2.528 -5.057 -4.324 1.00 0.00 C ATOM 827 CE2 PHE A 54 4.602 -5.009 -5.506 1.00 0.00 C ATOM 828 CZ PHE A 54 3.228 -5.114 -5.512 1.00 0.00 C ATOM 0 H PHE A 54 5.921 -2.174 -2.472 1.00 0.00 H new ATOM 0 HA PHE A 54 3.829 -3.428 -0.841 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.392 -4.555 -2.017 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.155 -5.473 -1.181 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.654 -4.859 -2.205 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.352 -4.766 -4.314 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.451 -5.135 -4.327 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.152 -5.052 -6.435 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.700 -5.241 -6.445 1.00 0.00 H new ATOM 838 N CYS A 55 5.021 -3.717 1.299 1.00 0.00 N ATOM 839 CA CYS A 55 5.609 -3.671 2.629 1.00 0.00 C ATOM 840 C CYS A 55 6.597 -4.820 2.801 1.00 0.00 C ATOM 841 O CYS A 55 6.205 -5.987 2.832 1.00 0.00 O ATOM 842 CB CYS A 55 4.505 -3.742 3.687 1.00 0.00 C ATOM 843 SG CYS A 55 3.104 -2.622 3.345 1.00 0.00 S ATOM 0 H CYS A 55 4.104 -4.163 1.263 1.00 0.00 H new ATOM 0 HA CYS A 55 6.148 -2.732 2.753 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.136 -4.766 3.749 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.928 -3.496 4.661 1.00 0.00 H new ATOM 848 N PRO A 56 7.902 -4.507 2.878 1.00 0.00 N ATOM 849 CA PRO A 56 8.949 -5.515 3.006 1.00 0.00 C ATOM 850 C PRO A 56 9.107 -6.060 4.417 1.00 0.00 C ATOM 851 O PRO A 56 9.588 -5.365 5.317 1.00 0.00 O ATOM 852 CB PRO A 56 10.225 -4.789 2.584 1.00 0.00 C ATOM 853 CG PRO A 56 9.841 -3.376 2.272 1.00 0.00 C ATOM 854 CD PRO A 56 8.459 -3.155 2.815 1.00 0.00 C ATOM 0 HA PRO A 56 8.710 -6.387 2.397 1.00 0.00 H new ATOM 0 HB2 PRO A 56 10.968 -4.820 3.381 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.672 -5.269 1.713 1.00 0.00 H new ATOM 0 HG2 PRO A 56 10.547 -2.678 2.723 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.863 -3.201 1.196 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.483 -2.684 3.798 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.870 -2.507 2.165 1.00 0.00 H new ATOM 862 N HIS A 57 8.734 -7.318 4.595 1.00 0.00 N ATOM 863 CA HIS A 57 8.868 -7.976 5.885 1.00 0.00 C ATOM 864 C HIS A 57 10.288 -8.511 6.009 1.00 0.00 C ATOM 865 O HIS A 57 10.947 -8.346 7.035 1.00 0.00 O ATOM 866 CB HIS A 57 7.862 -9.122 6.011 1.00 0.00 C ATOM 867 CG HIS A 57 7.568 -9.528 7.427 1.00 0.00 C ATOM 868 ND1 HIS A 57 8.526 -9.994 8.309 1.00 0.00 N ATOM 869 CD2 HIS A 57 6.400 -9.535 8.112 1.00 0.00 C ATOM 870 CE1 HIS A 57 7.955 -10.273 9.468 1.00 0.00 C ATOM 871 NE2 HIS A 57 6.667 -10.000 9.374 1.00 0.00 N ATOM 0 H HIS A 57 8.336 -7.904 3.861 1.00 0.00 H new ATOM 0 HA HIS A 57 8.666 -7.261 6.683 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.930 -8.828 5.528 1.00 0.00 H new ATOM 0 HB3 HIS A 57 8.243 -9.987 5.468 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.435 -9.230 7.734 1.00 0.00 H new ATOM 0 HE1 HIS A 57 8.457 -10.659 10.343 1.00 0.00 H new ATOM 0 HE2 HIS A 57 5.981 -10.116 10.120 1.00 0.00 H new ATOM 879 N GLU A 58 10.748 -9.136 4.935 1.00 0.00 N ATOM 880 CA GLU A 58 12.081 -9.688 4.864 1.00 0.00 C ATOM 881 C GLU A 58 12.640 -9.508 3.457 1.00 0.00 C ATOM 882 O GLU A 58 12.193 -10.165 2.509 1.00 0.00 O ATOM 883 CB GLU A 58 12.065 -11.163 5.263 1.00 0.00 C ATOM 884 CG GLU A 58 10.919 -11.972 4.671 1.00 0.00 C ATOM 885 CD GLU A 58 10.905 -13.397 5.169 1.00 0.00 C ATOM 886 OE1 GLU A 58 10.736 -13.599 6.385 1.00 0.00 O ATOM 887 OE2 GLU A 58 11.078 -14.314 4.346 1.00 0.00 O ATOM 0 H GLU A 58 10.199 -9.272 4.086 1.00 0.00 H new ATOM 0 HA GLU A 58 12.728 -9.157 5.563 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.008 -11.618 4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.015 -11.230 6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.972 -11.493 4.921 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.000 -11.970 3.584 1.00 0.00 H new ATOM 894 N ALA A 59 13.604 -8.607 3.321 1.00 0.00 N ATOM 895 CA ALA A 59 14.215 -8.330 2.027 1.00 0.00 C ATOM 896 C ALA A 59 15.638 -7.835 2.197 1.00 0.00 C ATOM 897 O ALA A 59 16.270 -8.184 3.212 1.00 0.00 O ATOM 898 CB ALA A 59 13.395 -7.304 1.261 1.00 0.00 C ATOM 0 H ALA A 59 13.980 -8.055 4.092 1.00 0.00 H new ATOM 0 HA ALA A 59 14.238 -9.260 1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.865 -7.109 0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.388 -7.689 1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 59 13.344 -6.378 1.834 1.00 0.00 H new TER 904 ALA A 59