USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 562 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 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 180:sc= 0 USER MOD Single : A 5 SER OG : rot 43:sc= 0.975 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.0337 X(o=-0.034,f=-0.29) USER MOD Single : A 13 ASN : amide:sc= -1.6 X(o=-1.6,f=-1.6) USER MOD Single : A 15 ASN : amide:sc= -0.854 K(o=-0.85,f=-10!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0379 X(o=-0.038,f=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -2.09 K(o=-2.1,f=0.18) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.256) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -5:sc= 0.956 USER MOD Single : A 51 HIS : no HE2:sc= -2.98! X(o=-3!,f=-2.8) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0863 K(o=-0.086,f=-1.8!) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0201 USER MOD Single : A 69 ASN : amide:sc= -0.027 K(o=-0.027,f=-1.3) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -162:sc= -0.227 (180deg=-0.969) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.835 14.047 12.847 1.00 0.00 N ATOM 2 CA GLY A 1 13.761 12.743 13.480 1.00 0.00 C ATOM 3 C GLY A 1 15.128 12.196 13.841 1.00 0.00 C ATOM 4 O GLY A 1 15.503 12.169 15.013 1.00 0.00 O ATOM 0 H1 GLY A 1 12.875 14.378 12.620 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.289 14.722 13.495 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.393 13.977 11.972 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.152 12.814 14.381 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.259 12.045 12.810 1.00 0.00 H new ATOM 8 N SER A 2 15.874 11.758 12.832 1.00 0.00 N ATOM 9 CA SER A 2 17.205 11.203 13.050 1.00 0.00 C ATOM 10 C SER A 2 17.121 9.842 13.734 1.00 0.00 C ATOM 11 O SER A 2 17.899 9.542 14.641 1.00 0.00 O ATOM 12 CB SER A 2 18.047 12.161 13.895 1.00 0.00 C ATOM 13 OG SER A 2 19.426 12.025 13.599 1.00 0.00 O ATOM 0 H SER A 2 15.580 11.777 11.856 1.00 0.00 H new ATOM 0 HA SER A 2 17.681 11.072 12.078 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.732 13.188 13.709 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.878 11.962 14.953 1.00 0.00 H new ATOM 0 HG SER A 2 19.942 12.649 14.151 1.00 0.00 H new ATOM 19 N SER A 3 16.172 9.023 13.294 1.00 0.00 N ATOM 20 CA SER A 3 15.983 7.695 13.865 1.00 0.00 C ATOM 21 C SER A 3 17.045 6.726 13.352 1.00 0.00 C ATOM 22 O SER A 3 17.522 6.850 12.225 1.00 0.00 O ATOM 23 CB SER A 3 14.588 7.165 13.528 1.00 0.00 C ATOM 24 OG SER A 3 14.538 6.669 12.202 1.00 0.00 O ATOM 0 H SER A 3 15.522 9.256 12.544 1.00 0.00 H new ATOM 0 HA SER A 3 16.082 7.775 14.948 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.318 6.373 14.226 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.854 7.961 13.650 1.00 0.00 H new ATOM 0 HG SER A 3 13.637 6.335 12.012 1.00 0.00 H new ATOM 30 N GLY A 4 17.410 5.761 14.190 1.00 0.00 N ATOM 31 CA GLY A 4 18.413 4.785 13.805 1.00 0.00 C ATOM 32 C GLY A 4 17.962 3.917 12.647 1.00 0.00 C ATOM 33 O GLY A 4 16.958 4.209 11.997 1.00 0.00 O ATOM 0 H GLY A 4 17.029 5.637 15.128 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.333 5.302 13.531 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.646 4.151 14.661 1.00 0.00 H new ATOM 37 N SER A 5 18.707 2.847 12.386 1.00 0.00 N ATOM 38 CA SER A 5 18.381 1.937 11.294 1.00 0.00 C ATOM 39 C SER A 5 19.086 0.596 11.477 1.00 0.00 C ATOM 40 O SER A 5 20.294 0.483 11.269 1.00 0.00 O ATOM 41 CB SER A 5 18.777 2.555 9.952 1.00 0.00 C ATOM 42 OG SER A 5 20.177 2.761 9.878 1.00 0.00 O ATOM 0 H SER A 5 19.540 2.589 12.916 1.00 0.00 H new ATOM 0 HA SER A 5 17.304 1.767 11.304 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.459 1.902 9.139 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.259 3.505 9.819 1.00 0.00 H new ATOM 0 HG SER A 5 20.642 1.979 10.241 1.00 0.00 H new ATOM 48 N SER A 6 18.321 -0.419 11.867 1.00 0.00 N ATOM 49 CA SER A 6 18.871 -1.752 12.082 1.00 0.00 C ATOM 50 C SER A 6 18.080 -2.798 11.303 1.00 0.00 C ATOM 51 O SER A 6 16.918 -2.585 10.959 1.00 0.00 O ATOM 52 CB SER A 6 18.863 -2.096 13.573 1.00 0.00 C ATOM 53 OG SER A 6 19.981 -1.529 14.233 1.00 0.00 O ATOM 0 H SER A 6 17.319 -0.343 12.040 1.00 0.00 H new ATOM 0 HA SER A 6 19.899 -1.756 11.721 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.943 -1.730 14.029 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.872 -3.179 13.700 1.00 0.00 H new ATOM 0 HG SER A 6 19.952 -1.762 15.185 1.00 0.00 H new ATOM 59 N GLY A 7 18.719 -3.931 11.027 1.00 0.00 N ATOM 60 CA GLY A 7 18.061 -4.994 10.290 1.00 0.00 C ATOM 61 C GLY A 7 17.855 -6.239 11.129 1.00 0.00 C ATOM 62 O GLY A 7 18.650 -7.178 11.066 1.00 0.00 O ATOM 0 H GLY A 7 19.681 -4.132 11.301 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.096 -4.639 9.930 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.656 -5.246 9.412 1.00 0.00 H new ATOM 66 N HIS A 8 16.786 -6.248 11.919 1.00 0.00 N ATOM 67 CA HIS A 8 16.478 -7.388 12.776 1.00 0.00 C ATOM 68 C HIS A 8 15.659 -8.430 12.021 1.00 0.00 C ATOM 69 O HIS A 8 14.774 -8.088 11.238 1.00 0.00 O ATOM 70 CB HIS A 8 15.717 -6.927 14.020 1.00 0.00 C ATOM 71 CG HIS A 8 16.584 -6.245 15.033 1.00 0.00 C ATOM 72 ND1 HIS A 8 17.209 -5.039 14.800 1.00 0.00 N ATOM 73 CD2 HIS A 8 16.926 -6.607 16.292 1.00 0.00 C ATOM 74 CE1 HIS A 8 17.899 -4.688 15.870 1.00 0.00 C ATOM 75 NE2 HIS A 8 17.744 -5.623 16.790 1.00 0.00 N ATOM 0 H HIS A 8 16.119 -5.479 11.984 1.00 0.00 H new ATOM 0 HA HIS A 8 17.419 -7.845 13.083 1.00 0.00 H new ATOM 0 HB2 HIS A 8 14.921 -6.246 13.718 1.00 0.00 H new ATOM 0 HB3 HIS A 8 15.239 -7.790 14.484 1.00 0.00 H new ATOM 0 HD2 HIS A 8 16.614 -7.503 16.808 1.00 0.00 H new ATOM 0 HE1 HIS A 8 18.489 -3.790 15.975 1.00 0.00 H new ATOM 0 HE2 HIS A 8 18.164 -5.615 17.720 1.00 0.00 H new ATOM 84 N GLU A 9 15.962 -9.702 12.261 1.00 0.00 N ATOM 85 CA GLU A 9 15.253 -10.793 11.602 1.00 0.00 C ATOM 86 C GLU A 9 13.865 -10.984 12.206 1.00 0.00 C ATOM 87 O GLU A 9 13.704 -10.998 13.426 1.00 0.00 O ATOM 88 CB GLU A 9 16.054 -12.092 11.715 1.00 0.00 C ATOM 89 CG GLU A 9 17.244 -12.157 10.773 1.00 0.00 C ATOM 90 CD GLU A 9 18.489 -11.520 11.360 1.00 0.00 C ATOM 91 OE1 GLU A 9 18.930 -11.966 12.440 1.00 0.00 O ATOM 92 OE2 GLU A 9 19.021 -10.576 10.741 1.00 0.00 O ATOM 0 H GLU A 9 16.693 -10.002 12.906 1.00 0.00 H new ATOM 0 HA GLU A 9 15.139 -10.535 10.549 1.00 0.00 H new ATOM 0 HB2 GLU A 9 16.407 -12.204 12.740 1.00 0.00 H new ATOM 0 HB3 GLU A 9 15.394 -12.935 11.511 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.454 -13.199 10.530 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.991 -11.656 9.839 1.00 0.00 H new ATOM 99 N ARG A 10 12.866 -11.130 11.342 1.00 0.00 N ATOM 100 CA ARG A 10 11.491 -11.319 11.790 1.00 0.00 C ATOM 101 C ARG A 10 10.839 -12.491 11.063 1.00 0.00 C ATOM 102 O ARG A 10 11.337 -12.954 10.037 1.00 0.00 O ATOM 103 CB ARG A 10 10.677 -10.044 11.557 1.00 0.00 C ATOM 104 CG ARG A 10 10.624 -9.613 10.100 1.00 0.00 C ATOM 105 CD ARG A 10 9.862 -8.308 9.933 1.00 0.00 C ATOM 106 NE ARG A 10 8.424 -8.486 10.117 1.00 0.00 N ATOM 107 CZ ARG A 10 7.606 -8.896 9.155 1.00 0.00 C ATOM 108 NH1 ARG A 10 8.081 -9.169 7.947 1.00 0.00 N ATOM 109 NH2 ARG A 10 6.309 -9.035 9.399 1.00 0.00 N ATOM 0 H ARG A 10 12.982 -11.121 10.329 1.00 0.00 H new ATOM 0 HA ARG A 10 11.510 -11.541 12.857 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.661 -10.201 11.918 1.00 0.00 H new ATOM 0 HB3 ARG A 10 11.105 -9.236 12.151 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.638 -9.495 9.717 1.00 0.00 H new ATOM 0 HG3 ARG A 10 10.147 -10.393 9.506 1.00 0.00 H new ATOM 0 HD2 ARG A 10 10.232 -7.578 10.653 1.00 0.00 H new ATOM 0 HD3 ARG A 10 10.053 -7.901 8.940 1.00 0.00 H new ATOM 0 HE ARG A 10 8.027 -8.284 11.035 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.077 -9.064 7.755 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.450 -9.484 7.210 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.939 -8.827 10.327 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.682 -9.350 8.659 1.00 0.00 H new ATOM 123 N VAL A 11 9.721 -12.968 11.603 1.00 0.00 N ATOM 124 CA VAL A 11 9.000 -14.086 11.006 1.00 0.00 C ATOM 125 C VAL A 11 8.850 -13.902 9.500 1.00 0.00 C ATOM 126 O VAL A 11 8.354 -12.876 9.036 1.00 0.00 O ATOM 127 CB VAL A 11 7.604 -14.252 11.634 1.00 0.00 C ATOM 128 CG1 VAL A 11 6.959 -12.895 11.870 1.00 0.00 C ATOM 129 CG2 VAL A 11 6.724 -15.124 10.751 1.00 0.00 C ATOM 0 H VAL A 11 9.295 -12.597 12.453 1.00 0.00 H new ATOM 0 HA VAL A 11 9.587 -14.983 11.202 1.00 0.00 H new ATOM 0 HB VAL A 11 7.715 -14.746 12.599 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.973 -13.033 12.314 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.582 -12.308 12.545 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.859 -12.370 10.920 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.741 -15.231 11.210 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.618 -14.659 9.771 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.181 -16.107 10.639 1.00 0.00 H new ATOM 139 N GLY A 12 9.281 -14.904 8.741 1.00 0.00 N ATOM 140 CA GLY A 12 9.185 -14.833 7.294 1.00 0.00 C ATOM 141 C GLY A 12 10.370 -14.124 6.669 1.00 0.00 C ATOM 142 O GLY A 12 11.461 -14.106 7.236 1.00 0.00 O ATOM 0 H GLY A 12 9.695 -15.764 9.101 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.113 -15.842 6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.268 -14.313 7.019 1.00 0.00 H new ATOM 146 N ASN A 13 10.156 -13.540 5.494 1.00 0.00 N ATOM 147 CA ASN A 13 11.216 -12.828 4.790 1.00 0.00 C ATOM 148 C ASN A 13 10.633 -11.795 3.831 1.00 0.00 C ATOM 149 O ASN A 13 9.646 -12.058 3.142 1.00 0.00 O ATOM 150 CB ASN A 13 12.096 -13.815 4.020 1.00 0.00 C ATOM 151 CG ASN A 13 12.894 -14.717 4.941 1.00 0.00 C ATOM 152 OD1 ASN A 13 12.599 -15.905 5.073 1.00 0.00 O ATOM 153 ND2 ASN A 13 13.912 -14.156 5.584 1.00 0.00 N ATOM 0 H ASN A 13 9.258 -13.546 5.010 1.00 0.00 H new ATOM 0 HA ASN A 13 11.825 -12.308 5.530 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.469 -14.426 3.370 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.779 -13.262 3.375 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.485 -14.714 6.217 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.121 -13.167 5.445 1.00 0.00 H new ATOM 160 N LEU A 14 11.249 -10.619 3.791 1.00 0.00 N ATOM 161 CA LEU A 14 10.793 -9.544 2.916 1.00 0.00 C ATOM 162 C LEU A 14 11.921 -9.064 2.010 1.00 0.00 C ATOM 163 O LEU A 14 12.022 -7.877 1.704 1.00 0.00 O ATOM 164 CB LEU A 14 10.258 -8.376 3.747 1.00 0.00 C ATOM 165 CG LEU A 14 9.230 -7.478 3.058 1.00 0.00 C ATOM 166 CD1 LEU A 14 8.080 -8.308 2.507 1.00 0.00 C ATOM 167 CD2 LEU A 14 8.713 -6.421 4.023 1.00 0.00 C ATOM 0 H LEU A 14 12.066 -10.385 4.355 1.00 0.00 H new ATOM 0 HA LEU A 14 9.991 -9.934 2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.809 -8.778 4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.102 -7.759 4.055 1.00 0.00 H new ATOM 0 HG LEU A 14 9.718 -6.973 2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.358 -7.652 2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.464 -9.026 1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.593 -8.841 3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.982 -5.791 3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.242 -6.907 4.877 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.544 -5.806 4.369 1.00 0.00 H new ATOM 179 N ASN A 15 12.766 -9.996 1.581 1.00 0.00 N ATOM 180 CA ASN A 15 13.887 -9.668 0.707 1.00 0.00 C ATOM 181 C ASN A 15 13.468 -8.659 -0.358 1.00 0.00 C ATOM 182 O ASN A 15 14.249 -7.789 -0.743 1.00 0.00 O ATOM 183 CB ASN A 15 14.430 -10.934 0.042 1.00 0.00 C ATOM 184 CG ASN A 15 13.324 -11.842 -0.461 1.00 0.00 C ATOM 185 OD1 ASN A 15 12.236 -11.381 -0.805 1.00 0.00 O ATOM 186 ND2 ASN A 15 13.600 -13.140 -0.506 1.00 0.00 N ATOM 0 H ASN A 15 12.696 -10.984 1.824 1.00 0.00 H new ATOM 0 HA ASN A 15 14.673 -9.221 1.316 1.00 0.00 H new ATOM 0 HB2 ASN A 15 15.075 -10.655 -0.791 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.048 -11.479 0.755 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.896 -13.800 -0.836 1.00 0.00 H new ATOM 0 HD22 ASN A 15 14.516 -13.477 -0.211 1.00 0.00 H new ATOM 193 N GLN A 16 12.232 -8.784 -0.830 1.00 0.00 N ATOM 194 CA GLN A 16 11.711 -7.883 -1.852 1.00 0.00 C ATOM 195 C GLN A 16 10.373 -7.290 -1.422 1.00 0.00 C ATOM 196 O GLN A 16 9.594 -7.912 -0.700 1.00 0.00 O ATOM 197 CB GLN A 16 11.551 -8.624 -3.181 1.00 0.00 C ATOM 198 CG GLN A 16 10.385 -9.599 -3.198 1.00 0.00 C ATOM 199 CD GLN A 16 9.795 -9.779 -4.582 1.00 0.00 C ATOM 200 OE1 GLN A 16 10.521 -9.874 -5.572 1.00 0.00 O ATOM 201 NE2 GLN A 16 8.470 -9.828 -4.660 1.00 0.00 N ATOM 0 H GLN A 16 11.573 -9.499 -0.522 1.00 0.00 H new ATOM 0 HA GLN A 16 12.424 -7.069 -1.982 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.416 -7.895 -3.980 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.471 -9.167 -3.398 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.719 -10.566 -2.821 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.609 -9.243 -2.520 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.906 -9.745 -3.814 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.017 -9.949 -5.566 1.00 0.00 H new ATOM 210 N PRO A 17 10.098 -6.058 -1.876 1.00 0.00 N ATOM 211 CA PRO A 17 8.854 -5.354 -1.552 1.00 0.00 C ATOM 212 C PRO A 17 7.640 -5.980 -2.229 1.00 0.00 C ATOM 213 O PRO A 17 7.778 -6.812 -3.126 1.00 0.00 O ATOM 214 CB PRO A 17 9.096 -3.941 -2.089 1.00 0.00 C ATOM 215 CG PRO A 17 10.104 -4.115 -3.172 1.00 0.00 C ATOM 216 CD PRO A 17 10.981 -5.258 -2.742 1.00 0.00 C ATOM 0 HA PRO A 17 8.633 -5.388 -0.485 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.176 -3.500 -2.472 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.466 -3.278 -1.307 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.620 -4.331 -4.124 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.688 -3.205 -3.311 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.337 -5.835 -3.596 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.862 -4.908 -2.204 1.00 0.00 H new ATOM 224 N ILE A 18 6.452 -5.575 -1.794 1.00 0.00 N ATOM 225 CA ILE A 18 5.214 -6.096 -2.360 1.00 0.00 C ATOM 226 C ILE A 18 4.389 -4.983 -2.998 1.00 0.00 C ATOM 227 O ILE A 18 4.444 -3.832 -2.566 1.00 0.00 O ATOM 228 CB ILE A 18 4.360 -6.803 -1.291 1.00 0.00 C ATOM 229 CG1 ILE A 18 5.234 -7.721 -0.435 1.00 0.00 C ATOM 230 CG2 ILE A 18 3.237 -7.593 -1.947 1.00 0.00 C ATOM 231 CD1 ILE A 18 4.470 -8.436 0.658 1.00 0.00 C ATOM 0 H ILE A 18 6.320 -4.888 -1.052 1.00 0.00 H new ATOM 0 HA ILE A 18 5.497 -6.819 -3.125 1.00 0.00 H new ATOM 0 HB ILE A 18 3.916 -6.047 -0.643 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.709 -8.461 -1.079 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.032 -7.132 0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.642 -8.087 -1.178 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.602 -6.916 -2.518 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.661 -8.343 -2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.153 -9.069 1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.017 -7.702 1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.689 -9.052 0.213 1.00 0.00 H new ATOM 243 N GLU A 19 3.625 -5.335 -4.027 1.00 0.00 N ATOM 244 CA GLU A 19 2.788 -4.365 -4.724 1.00 0.00 C ATOM 245 C GLU A 19 1.321 -4.536 -4.339 1.00 0.00 C ATOM 246 O GLU A 19 0.744 -5.609 -4.511 1.00 0.00 O ATOM 247 CB GLU A 19 2.950 -4.512 -6.238 1.00 0.00 C ATOM 248 CG GLU A 19 4.085 -3.681 -6.812 1.00 0.00 C ATOM 249 CD GLU A 19 4.122 -3.712 -8.328 1.00 0.00 C ATOM 250 OE1 GLU A 19 3.066 -3.481 -8.953 1.00 0.00 O ATOM 251 OE2 GLU A 19 5.208 -3.969 -8.889 1.00 0.00 O ATOM 0 H GLU A 19 3.568 -6.284 -4.396 1.00 0.00 H new ATOM 0 HA GLU A 19 3.110 -3.367 -4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.123 -5.562 -6.476 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.018 -4.224 -6.724 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.981 -2.649 -6.476 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.034 -4.049 -6.422 1.00 0.00 H new ATOM 258 N VAL A 20 0.725 -3.469 -3.816 1.00 0.00 N ATOM 259 CA VAL A 20 -0.675 -3.500 -3.407 1.00 0.00 C ATOM 260 C VAL A 20 -1.469 -2.389 -4.084 1.00 0.00 C ATOM 261 O VAL A 20 -0.937 -1.317 -4.375 1.00 0.00 O ATOM 262 CB VAL A 20 -0.816 -3.361 -1.880 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.121 -4.514 -1.172 1.00 0.00 C ATOM 264 CG2 VAL A 20 -0.259 -2.024 -1.413 1.00 0.00 C ATOM 0 H VAL A 20 1.189 -2.573 -3.666 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.074 -4.467 -3.714 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.875 -3.396 -1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.231 -4.398 -0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.571 -5.457 -1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.938 -4.514 -1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.367 -1.943 -0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.796 -1.957 -1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.807 -1.214 -1.894 1.00 0.00 H new ATOM 274 N THR A 21 -2.749 -2.650 -4.331 1.00 0.00 N ATOM 275 CA THR A 21 -3.618 -1.673 -4.974 1.00 0.00 C ATOM 276 C THR A 21 -4.558 -1.025 -3.964 1.00 0.00 C ATOM 277 O THR A 21 -5.443 -1.681 -3.415 1.00 0.00 O ATOM 278 CB THR A 21 -4.454 -2.317 -6.096 1.00 0.00 C ATOM 279 OG1 THR A 21 -3.610 -3.095 -6.951 1.00 0.00 O ATOM 280 CG2 THR A 21 -5.171 -1.254 -6.915 1.00 0.00 C ATOM 0 H THR A 21 -3.207 -3.531 -4.095 1.00 0.00 H new ATOM 0 HA THR A 21 -2.970 -0.910 -5.406 1.00 0.00 H new ATOM 0 HB THR A 21 -5.201 -2.964 -5.636 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.149 -3.502 -7.661 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.755 -1.733 -7.701 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.835 -0.682 -6.267 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.437 -0.585 -7.364 1.00 0.00 H new ATOM 288 N ALA A 22 -4.361 0.267 -3.723 1.00 0.00 N ATOM 289 CA ALA A 22 -5.193 1.005 -2.781 1.00 0.00 C ATOM 290 C ALA A 22 -6.674 0.805 -3.083 1.00 0.00 C ATOM 291 O ALA A 22 -7.175 1.257 -4.114 1.00 0.00 O ATOM 292 CB ALA A 22 -4.841 2.485 -2.812 1.00 0.00 C ATOM 0 H ALA A 22 -3.632 0.825 -4.168 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.997 0.618 -1.781 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.470 3.024 -2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.794 2.616 -2.539 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.006 2.877 -3.815 1.00 0.00 H new ATOM 298 N LEU A 23 -7.371 0.125 -2.179 1.00 0.00 N ATOM 299 CA LEU A 23 -8.796 -0.136 -2.350 1.00 0.00 C ATOM 300 C LEU A 23 -9.609 1.141 -2.168 1.00 0.00 C ATOM 301 O LEU A 23 -10.661 1.313 -2.785 1.00 0.00 O ATOM 302 CB LEU A 23 -9.263 -1.198 -1.353 1.00 0.00 C ATOM 303 CG LEU A 23 -8.496 -2.520 -1.371 1.00 0.00 C ATOM 304 CD1 LEU A 23 -8.950 -3.417 -0.230 1.00 0.00 C ATOM 305 CD2 LEU A 23 -8.677 -3.223 -2.709 1.00 0.00 C ATOM 0 H LEU A 23 -6.973 -0.255 -1.321 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.954 -0.504 -3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.199 -0.778 -0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.315 -1.409 -1.544 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.436 -2.305 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.393 -4.353 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.768 -2.916 0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.015 -3.625 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.124 -4.162 -2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.735 -3.426 -2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.301 -2.585 -3.509 1.00 0.00 H new ATOM 317 N TYR A 24 -9.114 2.035 -1.319 1.00 0.00 N ATOM 318 CA TYR A 24 -9.794 3.298 -1.056 1.00 0.00 C ATOM 319 C TYR A 24 -8.789 4.430 -0.871 1.00 0.00 C ATOM 320 O TYR A 24 -7.614 4.193 -0.592 1.00 0.00 O ATOM 321 CB TYR A 24 -10.677 3.176 0.187 1.00 0.00 C ATOM 322 CG TYR A 24 -11.531 1.929 0.204 1.00 0.00 C ATOM 323 CD1 TYR A 24 -12.796 1.922 -0.371 1.00 0.00 C ATOM 324 CD2 TYR A 24 -11.073 0.757 0.795 1.00 0.00 C ATOM 325 CE1 TYR A 24 -13.580 0.784 -0.357 1.00 0.00 C ATOM 326 CE2 TYR A 24 -11.850 -0.385 0.812 1.00 0.00 C ATOM 327 CZ TYR A 24 -13.103 -0.366 0.235 1.00 0.00 C ATOM 328 OH TYR A 24 -13.880 -1.501 0.251 1.00 0.00 O ATOM 0 H TYR A 24 -8.244 1.908 -0.801 1.00 0.00 H new ATOM 0 HA TYR A 24 -10.420 3.531 -1.917 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.044 3.184 1.074 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -11.325 4.050 0.249 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.173 2.821 -0.837 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.093 0.739 1.249 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.561 0.796 -0.808 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.479 -1.288 1.274 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.396 -2.222 0.705 1.00 0.00 H new ATOM 338 N SER A 25 -9.260 5.663 -1.029 1.00 0.00 N ATOM 339 CA SER A 25 -8.403 6.834 -0.883 1.00 0.00 C ATOM 340 C SER A 25 -8.036 7.059 0.580 1.00 0.00 C ATOM 341 O SER A 25 -8.694 6.543 1.484 1.00 0.00 O ATOM 342 CB SER A 25 -9.101 8.075 -1.443 1.00 0.00 C ATOM 343 OG SER A 25 -10.094 8.548 -0.550 1.00 0.00 O ATOM 0 H SER A 25 -10.231 5.877 -1.258 1.00 0.00 H new ATOM 0 HA SER A 25 -7.487 6.656 -1.446 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.366 8.859 -1.623 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.556 7.837 -2.405 1.00 0.00 H new ATOM 0 HG SER A 25 -10.524 9.342 -0.930 1.00 0.00 H new ATOM 349 N PHE A 26 -6.980 7.834 0.806 1.00 0.00 N ATOM 350 CA PHE A 26 -6.523 8.128 2.159 1.00 0.00 C ATOM 351 C PHE A 26 -5.628 9.363 2.175 1.00 0.00 C ATOM 352 O PHE A 26 -4.979 9.684 1.180 1.00 0.00 O ATOM 353 CB PHE A 26 -5.768 6.929 2.737 1.00 0.00 C ATOM 354 CG PHE A 26 -5.056 7.232 4.024 1.00 0.00 C ATOM 355 CD1 PHE A 26 -5.733 7.185 5.233 1.00 0.00 C ATOM 356 CD2 PHE A 26 -3.711 7.565 4.026 1.00 0.00 C ATOM 357 CE1 PHE A 26 -5.081 7.464 6.419 1.00 0.00 C ATOM 358 CE2 PHE A 26 -3.055 7.844 5.210 1.00 0.00 C ATOM 359 CZ PHE A 26 -3.741 7.794 6.408 1.00 0.00 C ATOM 0 H PHE A 26 -6.425 8.270 0.069 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.399 8.329 2.776 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.471 6.113 2.904 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.042 6.579 2.003 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.782 6.927 5.248 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.170 7.607 3.092 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.620 7.424 7.354 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.006 8.101 5.199 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.230 8.013 7.334 1.00 0.00 H new ATOM 369 N GLU A 27 -5.599 10.052 3.311 1.00 0.00 N ATOM 370 CA GLU A 27 -4.785 11.253 3.456 1.00 0.00 C ATOM 371 C GLU A 27 -4.090 11.279 4.814 1.00 0.00 C ATOM 372 O GLU A 27 -4.722 11.511 5.843 1.00 0.00 O ATOM 373 CB GLU A 27 -5.648 12.505 3.289 1.00 0.00 C ATOM 374 CG GLU A 27 -5.802 12.950 1.844 1.00 0.00 C ATOM 375 CD GLU A 27 -6.964 12.271 1.145 1.00 0.00 C ATOM 376 OE1 GLU A 27 -8.059 12.207 1.741 1.00 0.00 O ATOM 377 OE2 GLU A 27 -6.778 11.804 0.002 1.00 0.00 O ATOM 0 H GLU A 27 -6.130 9.799 4.144 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.023 11.240 2.677 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.636 12.314 3.709 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.208 13.319 3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.946 14.030 1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.881 12.736 1.302 1.00 0.00 H new ATOM 384 N GLY A 28 -2.782 11.037 4.808 1.00 0.00 N ATOM 385 CA GLY A 28 -2.022 11.037 6.044 1.00 0.00 C ATOM 386 C GLY A 28 -2.341 12.231 6.921 1.00 0.00 C ATOM 387 O GLY A 28 -1.866 13.338 6.670 1.00 0.00 O ATOM 0 H GLY A 28 -2.236 10.841 3.969 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.230 10.120 6.595 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.957 11.035 5.812 1.00 0.00 H new ATOM 391 N GLN A 29 -3.150 12.006 7.952 1.00 0.00 N ATOM 392 CA GLN A 29 -3.534 13.074 8.868 1.00 0.00 C ATOM 393 C GLN A 29 -2.399 13.394 9.836 1.00 0.00 C ATOM 394 O GLN A 29 -2.330 14.495 10.382 1.00 0.00 O ATOM 395 CB GLN A 29 -4.789 12.678 9.648 1.00 0.00 C ATOM 396 CG GLN A 29 -6.046 12.630 8.794 1.00 0.00 C ATOM 397 CD GLN A 29 -7.315 12.644 9.622 1.00 0.00 C ATOM 398 OE1 GLN A 29 -8.102 11.698 9.589 1.00 0.00 O ATOM 399 NE2 GLN A 29 -7.521 13.721 10.372 1.00 0.00 N ATOM 0 H GLN A 29 -3.552 11.095 8.174 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.747 13.966 8.279 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.631 11.700 10.102 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.940 13.387 10.462 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.051 13.482 8.114 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.028 11.731 8.178 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.842 14.482 10.369 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.358 13.787 10.951 1.00 0.00 H new ATOM 408 N GLN A 30 -1.514 12.426 10.044 1.00 0.00 N ATOM 409 CA GLN A 30 -0.383 12.606 10.947 1.00 0.00 C ATOM 410 C GLN A 30 0.922 12.728 10.168 1.00 0.00 C ATOM 411 O GLN A 30 1.035 12.285 9.025 1.00 0.00 O ATOM 412 CB GLN A 30 -0.297 11.437 11.930 1.00 0.00 C ATOM 413 CG GLN A 30 -1.110 11.646 13.197 1.00 0.00 C ATOM 414 CD GLN A 30 -1.298 10.366 13.988 1.00 0.00 C ATOM 415 OE1 GLN A 30 -0.371 9.883 14.638 1.00 0.00 O ATOM 416 NE2 GLN A 30 -2.503 9.810 13.937 1.00 0.00 N ATOM 0 H GLN A 30 -1.558 11.509 9.600 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.539 13.530 11.505 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.641 10.530 11.433 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.747 11.277 12.200 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.614 12.387 13.824 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.086 12.053 12.935 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.242 10.245 13.385 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.689 8.948 14.450 1.00 0.00 H new ATOM 425 N PRO A 31 1.933 13.343 10.799 1.00 0.00 N ATOM 426 CA PRO A 31 3.250 13.537 10.184 1.00 0.00 C ATOM 427 C PRO A 31 4.015 12.228 10.026 1.00 0.00 C ATOM 428 O PRO A 31 4.331 11.560 11.010 1.00 0.00 O ATOM 429 CB PRO A 31 3.969 14.462 11.169 1.00 0.00 C ATOM 430 CG PRO A 31 3.306 14.208 12.479 1.00 0.00 C ATOM 431 CD PRO A 31 1.870 13.895 12.163 1.00 0.00 C ATOM 0 HA PRO A 31 3.173 13.943 9.176 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.035 14.240 11.215 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.874 15.507 10.873 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.780 13.378 13.002 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.381 15.079 13.130 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.451 13.177 12.868 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.245 14.787 12.207 1.00 0.00 H new ATOM 439 N GLY A 32 4.310 11.866 8.781 1.00 0.00 N ATOM 440 CA GLY A 32 5.037 10.638 8.518 1.00 0.00 C ATOM 441 C GLY A 32 4.230 9.652 7.696 1.00 0.00 C ATOM 442 O GLY A 32 4.793 8.806 7.001 1.00 0.00 O ATOM 0 H GLY A 32 4.058 12.401 7.950 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.963 10.873 7.993 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.316 10.175 9.464 1.00 0.00 H new ATOM 446 N ASP A 33 2.909 9.759 7.777 1.00 0.00 N ATOM 447 CA ASP A 33 2.022 8.869 7.036 1.00 0.00 C ATOM 448 C ASP A 33 2.243 9.011 5.533 1.00 0.00 C ATOM 449 O ASP A 33 3.120 9.755 5.091 1.00 0.00 O ATOM 450 CB ASP A 33 0.562 9.166 7.379 1.00 0.00 C ATOM 451 CG ASP A 33 0.285 9.065 8.867 1.00 0.00 C ATOM 452 OD1 ASP A 33 1.010 9.713 9.650 1.00 0.00 O ATOM 453 OD2 ASP A 33 -0.656 8.337 9.247 1.00 0.00 O ATOM 0 H ASP A 33 2.428 10.453 8.349 1.00 0.00 H new ATOM 0 HA ASP A 33 2.253 7.844 7.325 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.307 10.167 7.032 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.083 8.469 6.844 1.00 0.00 H new ATOM 458 N LEU A 34 1.444 8.292 4.753 1.00 0.00 N ATOM 459 CA LEU A 34 1.552 8.337 3.298 1.00 0.00 C ATOM 460 C LEU A 34 0.234 8.771 2.667 1.00 0.00 C ATOM 461 O LEU A 34 -0.836 8.577 3.243 1.00 0.00 O ATOM 462 CB LEU A 34 1.964 6.967 2.756 1.00 0.00 C ATOM 463 CG LEU A 34 1.904 6.801 1.237 1.00 0.00 C ATOM 464 CD1 LEU A 34 3.041 7.560 0.572 1.00 0.00 C ATOM 465 CD2 LEU A 34 1.951 5.328 0.859 1.00 0.00 C ATOM 0 H LEU A 34 0.714 7.671 5.103 1.00 0.00 H new ATOM 0 HA LEU A 34 2.316 9.069 3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.983 6.760 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.323 6.211 3.210 1.00 0.00 H new ATOM 0 HG LEU A 34 0.961 7.216 0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.982 7.430 -0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.962 8.620 0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.995 7.175 0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.907 5.229 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.878 4.887 1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.102 4.811 1.305 1.00 0.00 H new ATOM 477 N ASN A 35 0.318 9.359 1.478 1.00 0.00 N ATOM 478 CA ASN A 35 -0.869 9.820 0.767 1.00 0.00 C ATOM 479 C ASN A 35 -1.072 9.030 -0.522 1.00 0.00 C ATOM 480 O ASN A 35 -0.201 9.007 -1.392 1.00 0.00 O ATOM 481 CB ASN A 35 -0.752 11.313 0.451 1.00 0.00 C ATOM 482 CG ASN A 35 -0.407 12.138 1.676 1.00 0.00 C ATOM 483 OD1 ASN A 35 0.701 12.659 1.795 1.00 0.00 O ATOM 484 ND2 ASN A 35 -1.359 12.260 2.594 1.00 0.00 N ATOM 0 H ASN A 35 1.196 9.527 0.987 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.734 9.658 1.411 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.013 11.461 -0.311 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.693 11.668 0.031 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.185 12.803 3.440 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.264 11.810 2.453 1.00 0.00 H new ATOM 491 N PHE A 36 -2.228 8.384 -0.638 1.00 0.00 N ATOM 492 CA PHE A 36 -2.546 7.593 -1.821 1.00 0.00 C ATOM 493 C PHE A 36 -4.023 7.723 -2.181 1.00 0.00 C ATOM 494 O PHE A 36 -4.792 8.365 -1.466 1.00 0.00 O ATOM 495 CB PHE A 36 -2.194 6.122 -1.586 1.00 0.00 C ATOM 496 CG PHE A 36 -2.915 5.513 -0.417 1.00 0.00 C ATOM 497 CD1 PHE A 36 -2.420 5.652 0.869 1.00 0.00 C ATOM 498 CD2 PHE A 36 -4.089 4.801 -0.605 1.00 0.00 C ATOM 499 CE1 PHE A 36 -3.081 5.092 1.946 1.00 0.00 C ATOM 500 CE2 PHE A 36 -4.755 4.239 0.467 1.00 0.00 C ATOM 501 CZ PHE A 36 -4.251 4.385 1.745 1.00 0.00 C ATOM 0 H PHE A 36 -2.960 8.393 0.073 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.953 7.973 -2.653 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.429 5.552 -2.485 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.119 6.035 -1.426 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.507 6.205 1.032 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.488 4.684 -1.602 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.683 5.207 2.944 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.669 3.686 0.306 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.770 3.948 2.585 1.00 0.00 H new ATOM 511 N GLN A 37 -4.410 7.110 -3.295 1.00 0.00 N ATOM 512 CA GLN A 37 -5.794 7.158 -3.751 1.00 0.00 C ATOM 513 C GLN A 37 -6.258 5.786 -4.229 1.00 0.00 C ATOM 514 O GLN A 37 -5.445 4.935 -4.587 1.00 0.00 O ATOM 515 CB GLN A 37 -5.946 8.181 -4.878 1.00 0.00 C ATOM 516 CG GLN A 37 -5.683 9.613 -4.440 1.00 0.00 C ATOM 517 CD GLN A 37 -6.058 10.627 -5.502 1.00 0.00 C ATOM 518 OE1 GLN A 37 -6.988 10.413 -6.280 1.00 0.00 O ATOM 519 NE2 GLN A 37 -5.335 11.740 -5.540 1.00 0.00 N ATOM 0 H GLN A 37 -3.785 6.575 -3.898 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.417 7.459 -2.909 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.259 7.925 -5.685 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.955 8.114 -5.285 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.247 9.820 -3.530 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.627 9.725 -4.193 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.573 11.876 -4.876 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.542 12.459 -6.233 1.00 0.00 H new ATOM 528 N ALA A 38 -7.571 5.578 -4.229 1.00 0.00 N ATOM 529 CA ALA A 38 -8.143 4.310 -4.664 1.00 0.00 C ATOM 530 C ALA A 38 -7.598 3.900 -6.028 1.00 0.00 C ATOM 531 O ALA A 38 -7.992 4.450 -7.056 1.00 0.00 O ATOM 532 CB ALA A 38 -9.661 4.403 -4.707 1.00 0.00 C ATOM 0 H ALA A 38 -8.258 6.271 -3.933 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.857 3.545 -3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.075 3.449 -5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.039 4.641 -3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.958 5.185 -5.405 1.00 0.00 H new ATOM 538 N GLY A 39 -6.687 2.931 -6.029 1.00 0.00 N ATOM 539 CA GLY A 39 -6.102 2.465 -7.273 1.00 0.00 C ATOM 540 C GLY A 39 -4.594 2.614 -7.296 1.00 0.00 C ATOM 541 O GLY A 39 -3.893 1.812 -7.912 1.00 0.00 O ATOM 0 H GLY A 39 -6.344 2.461 -5.191 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.363 1.417 -7.424 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.532 3.023 -8.105 1.00 0.00 H new ATOM 545 N ASP A 40 -4.093 3.645 -6.623 1.00 0.00 N ATOM 546 CA ASP A 40 -2.658 3.897 -6.569 1.00 0.00 C ATOM 547 C ASP A 40 -1.915 2.691 -6.002 1.00 0.00 C ATOM 548 O ASP A 40 -2.300 2.142 -4.970 1.00 0.00 O ATOM 549 CB ASP A 40 -2.368 5.136 -5.720 1.00 0.00 C ATOM 550 CG ASP A 40 -2.374 6.412 -6.537 1.00 0.00 C ATOM 551 OD1 ASP A 40 -1.331 6.732 -7.146 1.00 0.00 O ATOM 552 OD2 ASP A 40 -3.421 7.091 -6.569 1.00 0.00 O ATOM 0 H ASP A 40 -4.659 4.319 -6.108 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.306 4.072 -7.586 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.112 5.212 -4.927 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.398 5.022 -5.236 1.00 0.00 H new ATOM 557 N ARG A 41 -0.850 2.284 -6.685 1.00 0.00 N ATOM 558 CA ARG A 41 -0.055 1.142 -6.250 1.00 0.00 C ATOM 559 C ARG A 41 0.995 1.567 -5.228 1.00 0.00 C ATOM 560 O ARG A 41 1.843 2.415 -5.510 1.00 0.00 O ATOM 561 CB ARG A 41 0.625 0.481 -7.451 1.00 0.00 C ATOM 562 CG ARG A 41 -0.322 -0.337 -8.313 1.00 0.00 C ATOM 563 CD ARG A 41 -1.140 0.550 -9.238 1.00 0.00 C ATOM 564 NE ARG A 41 -0.341 1.072 -10.344 1.00 0.00 N ATOM 565 CZ ARG A 41 -0.714 2.098 -11.100 1.00 0.00 C ATOM 566 NH1 ARG A 41 -1.867 2.711 -10.870 1.00 0.00 N ATOM 567 NH2 ARG A 41 0.068 2.515 -12.088 1.00 0.00 N ATOM 0 H ARG A 41 -0.518 2.728 -7.541 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.725 0.423 -5.778 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.088 1.253 -8.066 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.427 -0.165 -7.094 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.249 -1.053 -8.904 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.991 -0.913 -7.674 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.981 -0.018 -9.635 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.557 1.381 -8.669 1.00 0.00 H new ATOM 0 HE ARG A 41 0.553 0.624 -10.547 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.470 2.395 -10.111 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.151 3.499 -11.452 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.957 2.047 -12.267 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.220 3.303 -12.668 1.00 0.00 H new ATOM 581 N ILE A 42 0.932 0.974 -4.041 1.00 0.00 N ATOM 582 CA ILE A 42 1.877 1.291 -2.978 1.00 0.00 C ATOM 583 C ILE A 42 2.924 0.193 -2.827 1.00 0.00 C ATOM 584 O ILE A 42 2.594 -0.963 -2.556 1.00 0.00 O ATOM 585 CB ILE A 42 1.160 1.491 -1.629 1.00 0.00 C ATOM 586 CG1 ILE A 42 0.128 2.615 -1.737 1.00 0.00 C ATOM 587 CG2 ILE A 42 2.171 1.796 -0.533 1.00 0.00 C ATOM 588 CD1 ILE A 42 -1.058 2.436 -0.814 1.00 0.00 C ATOM 0 H ILE A 42 0.236 0.271 -3.791 1.00 0.00 H new ATOM 0 HA ILE A 42 2.369 2.222 -3.260 1.00 0.00 H new ATOM 0 HB ILE A 42 0.639 0.569 -1.370 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.613 3.565 -1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.228 2.673 -2.766 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.650 1.935 0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.872 0.966 -0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.716 2.706 -0.784 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.749 3.269 -0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.567 1.502 -1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.714 2.408 0.220 1.00 0.00 H new ATOM 600 N THR A 43 4.189 0.560 -3.002 1.00 0.00 N ATOM 601 CA THR A 43 5.285 -0.393 -2.884 1.00 0.00 C ATOM 602 C THR A 43 5.590 -0.703 -1.423 1.00 0.00 C ATOM 603 O THR A 43 6.302 0.047 -0.755 1.00 0.00 O ATOM 604 CB THR A 43 6.563 0.135 -3.563 1.00 0.00 C ATOM 605 OG1 THR A 43 6.328 0.336 -4.961 1.00 0.00 O ATOM 606 CG2 THR A 43 7.718 -0.838 -3.373 1.00 0.00 C ATOM 0 H THR A 43 4.480 1.512 -3.226 1.00 0.00 H new ATOM 0 HA THR A 43 4.966 -1.306 -3.387 1.00 0.00 H new ATOM 0 HB THR A 43 6.828 1.085 -3.099 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.145 0.673 -5.385 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.610 -0.444 -3.861 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.914 -0.967 -2.309 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.459 -1.801 -3.813 1.00 0.00 H new ATOM 614 N VAL A 44 5.048 -1.813 -0.933 1.00 0.00 N ATOM 615 CA VAL A 44 5.264 -2.223 0.449 1.00 0.00 C ATOM 616 C VAL A 44 6.728 -2.567 0.698 1.00 0.00 C ATOM 617 O VAL A 44 7.240 -3.560 0.179 1.00 0.00 O ATOM 618 CB VAL A 44 4.393 -3.439 0.817 1.00 0.00 C ATOM 619 CG1 VAL A 44 4.631 -3.850 2.262 1.00 0.00 C ATOM 620 CG2 VAL A 44 2.922 -3.132 0.577 1.00 0.00 C ATOM 0 H VAL A 44 4.456 -2.444 -1.473 1.00 0.00 H new ATOM 0 HA VAL A 44 4.980 -1.379 1.077 1.00 0.00 H new ATOM 0 HB VAL A 44 4.676 -4.274 0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.007 -4.710 2.503 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.680 -4.113 2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.377 -3.021 2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.321 -4.002 0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.623 -2.283 1.191 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.767 -2.891 -0.475 1.00 0.00 H new ATOM 630 N ILE A 45 7.397 -1.741 1.495 1.00 0.00 N ATOM 631 CA ILE A 45 8.803 -1.959 1.814 1.00 0.00 C ATOM 632 C ILE A 45 8.959 -2.653 3.163 1.00 0.00 C ATOM 633 O ILE A 45 9.820 -3.516 3.332 1.00 0.00 O ATOM 634 CB ILE A 45 9.587 -0.634 1.837 1.00 0.00 C ATOM 635 CG1 ILE A 45 8.765 0.459 2.524 1.00 0.00 C ATOM 636 CG2 ILE A 45 9.959 -0.213 0.423 1.00 0.00 C ATOM 637 CD1 ILE A 45 9.524 1.752 2.721 1.00 0.00 C ATOM 0 H ILE A 45 6.988 -0.915 1.932 1.00 0.00 H new ATOM 0 HA ILE A 45 9.209 -2.598 1.030 1.00 0.00 H new ATOM 0 HB ILE A 45 10.506 -0.783 2.405 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.872 0.658 1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.428 0.093 3.494 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.513 0.725 0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.579 -0.984 -0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.052 -0.078 -0.167 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.880 2.481 3.213 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.402 1.568 3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.838 2.141 1.752 1.00 0.00 H new ATOM 649 N SER A 46 8.120 -2.270 4.120 1.00 0.00 N ATOM 650 CA SER A 46 8.166 -2.854 5.455 1.00 0.00 C ATOM 651 C SER A 46 6.760 -3.022 6.023 1.00 0.00 C ATOM 652 O SER A 46 6.067 -2.042 6.297 1.00 0.00 O ATOM 653 CB SER A 46 9.005 -1.979 6.389 1.00 0.00 C ATOM 654 OG SER A 46 9.548 -2.743 7.452 1.00 0.00 O ATOM 0 H SER A 46 7.400 -1.558 3.996 1.00 0.00 H new ATOM 0 HA SER A 46 8.628 -3.838 5.379 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.811 -1.509 5.826 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.388 -1.176 6.792 1.00 0.00 H new ATOM 0 HG SER A 46 10.081 -2.162 8.034 1.00 0.00 H new ATOM 660 N LYS A 47 6.345 -4.272 6.199 1.00 0.00 N ATOM 661 CA LYS A 47 5.023 -4.571 6.735 1.00 0.00 C ATOM 662 C LYS A 47 5.115 -5.573 7.882 1.00 0.00 C ATOM 663 O LYS A 47 6.192 -6.088 8.185 1.00 0.00 O ATOM 664 CB LYS A 47 4.116 -5.124 5.633 1.00 0.00 C ATOM 665 CG LYS A 47 4.441 -6.554 5.238 1.00 0.00 C ATOM 666 CD LYS A 47 3.449 -7.090 4.219 1.00 0.00 C ATOM 667 CE LYS A 47 3.274 -8.595 4.349 1.00 0.00 C ATOM 668 NZ LYS A 47 4.562 -9.321 4.167 1.00 0.00 N ATOM 0 H LYS A 47 6.906 -5.095 5.978 1.00 0.00 H new ATOM 0 HA LYS A 47 4.596 -3.644 7.118 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.080 -5.075 5.968 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.197 -4.486 4.753 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.449 -6.598 4.824 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.432 -7.188 6.124 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.486 -6.598 4.354 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.793 -6.848 3.213 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.861 -8.829 5.330 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.554 -8.942 3.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.370 -10.322 3.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.090 -8.898 3.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.126 -9.251 5.038 1.00 0.00 H new ATOM 682 N THR A 48 3.979 -5.846 8.516 1.00 0.00 N ATOM 683 CA THR A 48 3.932 -6.786 9.629 1.00 0.00 C ATOM 684 C THR A 48 3.031 -7.973 9.308 1.00 0.00 C ATOM 685 O THR A 48 2.460 -8.055 8.221 1.00 0.00 O ATOM 686 CB THR A 48 3.428 -6.107 10.917 1.00 0.00 C ATOM 687 OG1 THR A 48 2.106 -5.594 10.715 1.00 0.00 O ATOM 688 CG2 THR A 48 4.357 -4.977 11.333 1.00 0.00 C ATOM 0 H THR A 48 3.079 -5.429 8.278 1.00 0.00 H new ATOM 0 HA THR A 48 4.951 -7.139 9.788 1.00 0.00 H new ATOM 0 HB THR A 48 3.411 -6.853 11.712 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.792 -5.165 11.538 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.980 -4.513 12.245 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.355 -5.375 11.514 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.402 -4.232 10.539 1.00 0.00 H new ATOM 696 N ASP A 49 2.909 -8.891 10.261 1.00 0.00 N ATOM 697 CA ASP A 49 2.075 -10.074 10.080 1.00 0.00 C ATOM 698 C ASP A 49 0.631 -9.788 10.481 1.00 0.00 C ATOM 699 O ASP A 49 -0.006 -10.594 11.158 1.00 0.00 O ATOM 700 CB ASP A 49 2.624 -11.241 10.901 1.00 0.00 C ATOM 701 CG ASP A 49 2.232 -12.589 10.327 1.00 0.00 C ATOM 702 OD1 ASP A 49 2.296 -12.748 9.090 1.00 0.00 O ATOM 703 OD2 ASP A 49 1.863 -13.484 11.114 1.00 0.00 O ATOM 0 H ASP A 49 3.377 -8.839 11.166 1.00 0.00 H new ATOM 0 HA ASP A 49 2.093 -10.343 9.024 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.711 -11.171 10.945 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.258 -11.165 11.925 1.00 0.00 H new ATOM 708 N SER A 50 0.122 -8.635 10.058 1.00 0.00 N ATOM 709 CA SER A 50 -1.245 -8.241 10.377 1.00 0.00 C ATOM 710 C SER A 50 -1.722 -7.132 9.444 1.00 0.00 C ATOM 711 O SER A 50 -0.999 -6.171 9.182 1.00 0.00 O ATOM 712 CB SER A 50 -1.337 -7.774 11.831 1.00 0.00 C ATOM 713 OG SER A 50 -1.058 -8.836 12.727 1.00 0.00 O ATOM 0 H SER A 50 0.636 -7.958 9.494 1.00 0.00 H new ATOM 0 HA SER A 50 -1.889 -9.110 10.240 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.634 -6.958 11.999 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.335 -7.381 12.027 1.00 0.00 H new ATOM 0 HG SER A 50 -0.940 -9.668 12.222 1.00 0.00 H new ATOM 719 N HIS A 51 -2.946 -7.274 8.945 1.00 0.00 N ATOM 720 CA HIS A 51 -3.522 -6.285 8.041 1.00 0.00 C ATOM 721 C HIS A 51 -4.024 -5.069 8.814 1.00 0.00 C ATOM 722 O HIS A 51 -3.697 -3.930 8.480 1.00 0.00 O ATOM 723 CB HIS A 51 -4.668 -6.902 7.239 1.00 0.00 C ATOM 724 CG HIS A 51 -5.436 -7.942 7.995 1.00 0.00 C ATOM 725 ND1 HIS A 51 -6.593 -7.665 8.692 1.00 0.00 N ATOM 726 CD2 HIS A 51 -5.208 -9.266 8.160 1.00 0.00 C ATOM 727 CE1 HIS A 51 -7.043 -8.773 9.254 1.00 0.00 C ATOM 728 NE2 HIS A 51 -6.220 -9.759 8.946 1.00 0.00 N ATOM 0 H HIS A 51 -3.558 -8.064 9.151 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.741 -5.960 7.354 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.351 -6.111 6.930 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.265 -7.349 6.330 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -7.033 -6.748 8.763 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.383 -9.830 7.750 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.932 -8.858 9.861 1.00 0.00 H new ATOM 737 N PHE A 52 -4.820 -5.319 9.848 1.00 0.00 N ATOM 738 CA PHE A 52 -5.369 -4.245 10.668 1.00 0.00 C ATOM 739 C PHE A 52 -4.296 -3.212 11.000 1.00 0.00 C ATOM 740 O PHE A 52 -4.557 -2.008 10.999 1.00 0.00 O ATOM 741 CB PHE A 52 -5.964 -4.812 11.958 1.00 0.00 C ATOM 742 CG PHE A 52 -7.409 -5.200 11.833 1.00 0.00 C ATOM 743 CD1 PHE A 52 -7.769 -6.402 11.246 1.00 0.00 C ATOM 744 CD2 PHE A 52 -8.408 -4.362 12.301 1.00 0.00 C ATOM 745 CE1 PHE A 52 -9.098 -6.762 11.129 1.00 0.00 C ATOM 746 CE2 PHE A 52 -9.739 -4.717 12.188 1.00 0.00 C ATOM 747 CZ PHE A 52 -10.085 -5.918 11.599 1.00 0.00 C ATOM 0 H PHE A 52 -5.100 -6.256 10.138 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.158 -3.754 10.098 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.387 -5.685 12.261 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.862 -4.071 12.751 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.002 -7.066 10.875 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.144 -3.421 12.759 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.365 -7.703 10.670 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.508 -4.056 12.560 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.124 -6.196 11.506 1.00 0.00 H new ATOM 757 N ASP A 53 -3.090 -3.691 11.283 1.00 0.00 N ATOM 758 CA ASP A 53 -1.977 -2.810 11.617 1.00 0.00 C ATOM 759 C ASP A 53 -1.572 -1.966 10.412 1.00 0.00 C ATOM 760 O ASP A 53 -1.980 -2.241 9.284 1.00 0.00 O ATOM 761 CB ASP A 53 -0.781 -3.628 12.106 1.00 0.00 C ATOM 762 CG ASP A 53 -0.948 -4.098 13.538 1.00 0.00 C ATOM 763 OD1 ASP A 53 -2.088 -4.430 13.924 1.00 0.00 O ATOM 764 OD2 ASP A 53 0.062 -4.135 14.272 1.00 0.00 O ATOM 0 H ASP A 53 -2.858 -4.684 11.288 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.301 -2.141 12.414 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.646 -4.493 11.456 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.124 -3.026 12.027 1.00 0.00 H new ATOM 769 N TRP A 54 -0.770 -0.937 10.661 1.00 0.00 N ATOM 770 CA TRP A 54 -0.311 -0.051 9.596 1.00 0.00 C ATOM 771 C TRP A 54 1.025 -0.522 9.034 1.00 0.00 C ATOM 772 O TRP A 54 1.909 -0.943 9.780 1.00 0.00 O ATOM 773 CB TRP A 54 -0.183 1.381 10.117 1.00 0.00 C ATOM 774 CG TRP A 54 -1.502 2.071 10.290 1.00 0.00 C ATOM 775 CD1 TRP A 54 -2.609 1.576 10.918 1.00 0.00 C ATOM 776 CD2 TRP A 54 -1.852 3.380 9.827 1.00 0.00 C ATOM 777 NE1 TRP A 54 -3.627 2.499 10.873 1.00 0.00 N ATOM 778 CE2 TRP A 54 -3.188 3.614 10.210 1.00 0.00 C ATOM 779 CE3 TRP A 54 -1.168 4.377 9.127 1.00 0.00 C ATOM 780 CZ2 TRP A 54 -3.848 4.803 9.915 1.00 0.00 C ATOM 781 CZ3 TRP A 54 -1.825 5.557 8.836 1.00 0.00 C ATOM 782 CH2 TRP A 54 -3.154 5.763 9.230 1.00 0.00 C ATOM 0 H TRP A 54 -0.424 -0.695 11.590 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.049 -0.074 8.794 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.339 1.366 11.074 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.433 1.957 9.426 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.675 0.603 11.382 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.558 2.374 11.269 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.144 4.228 8.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.873 4.963 10.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.305 6.334 8.295 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.640 6.697 8.988 1.00 0.00 H new ATOM 793 N TRP A 55 1.166 -0.450 7.715 1.00 0.00 N ATOM 794 CA TRP A 55 2.396 -0.869 7.054 1.00 0.00 C ATOM 795 C TRP A 55 3.132 0.328 6.462 1.00 0.00 C ATOM 796 O TRP A 55 2.597 1.435 6.417 1.00 0.00 O ATOM 797 CB TRP A 55 2.087 -1.888 5.955 1.00 0.00 C ATOM 798 CG TRP A 55 1.514 -3.170 6.478 1.00 0.00 C ATOM 799 CD1 TRP A 55 1.507 -3.596 7.776 1.00 0.00 C ATOM 800 CD2 TRP A 55 0.866 -4.193 5.715 1.00 0.00 C ATOM 801 NE1 TRP A 55 0.894 -4.822 7.865 1.00 0.00 N ATOM 802 CE2 TRP A 55 0.491 -5.210 6.614 1.00 0.00 C ATOM 803 CE3 TRP A 55 0.564 -4.349 4.359 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -0.168 -6.364 6.200 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -0.090 -5.495 3.949 1.00 0.00 C ATOM 806 CH2 TRP A 55 -0.451 -6.490 4.867 1.00 0.00 C ATOM 0 H TRP A 55 0.444 -0.105 7.083 1.00 0.00 H new ATOM 0 HA TRP A 55 3.040 -1.334 7.801 1.00 0.00 H new ATOM 0 HB2 TRP A 55 1.385 -1.447 5.247 1.00 0.00 H new ATOM 0 HB3 TRP A 55 3.002 -2.105 5.403 1.00 0.00 H new ATOM 0 HD1 TRP A 55 1.922 -3.049 8.610 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.760 -5.357 8.723 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.837 -3.587 3.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.446 -7.133 6.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.327 -5.626 2.903 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -0.963 -7.374 4.516 1.00 0.00 H new ATOM 817 N GLU A 56 4.360 0.098 6.009 1.00 0.00 N ATOM 818 CA GLU A 56 5.168 1.160 5.420 1.00 0.00 C ATOM 819 C GLU A 56 5.444 0.879 3.946 1.00 0.00 C ATOM 820 O GLU A 56 6.149 -0.069 3.605 1.00 0.00 O ATOM 821 CB GLU A 56 6.489 1.306 6.179 1.00 0.00 C ATOM 822 CG GLU A 56 7.326 2.488 5.721 1.00 0.00 C ATOM 823 CD GLU A 56 8.685 2.536 6.392 1.00 0.00 C ATOM 824 OE1 GLU A 56 8.798 2.048 7.536 1.00 0.00 O ATOM 825 OE2 GLU A 56 9.635 3.060 5.773 1.00 0.00 O ATOM 0 H GLU A 56 4.817 -0.813 6.038 1.00 0.00 H new ATOM 0 HA GLU A 56 4.609 2.092 5.496 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.277 1.412 7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.070 0.392 6.059 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.460 2.436 4.641 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.788 3.412 5.932 1.00 0.00 H new ATOM 832 N GLY A 57 4.882 1.713 3.076 1.00 0.00 N ATOM 833 CA GLY A 57 5.078 1.538 1.649 1.00 0.00 C ATOM 834 C GLY A 57 5.615 2.789 0.980 1.00 0.00 C ATOM 835 O GLY A 57 5.924 3.775 1.648 1.00 0.00 O ATOM 0 H GLY A 57 4.295 2.506 3.334 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.770 0.713 1.479 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.131 1.260 1.187 1.00 0.00 H new ATOM 839 N LYS A 58 5.728 2.748 -0.343 1.00 0.00 N ATOM 840 CA LYS A 58 6.232 3.885 -1.104 1.00 0.00 C ATOM 841 C LYS A 58 5.337 4.176 -2.305 1.00 0.00 C ATOM 842 O LYS A 58 4.943 3.264 -3.033 1.00 0.00 O ATOM 843 CB LYS A 58 7.663 3.617 -1.575 1.00 0.00 C ATOM 844 CG LYS A 58 8.722 4.022 -0.564 1.00 0.00 C ATOM 845 CD LYS A 58 9.992 3.204 -0.727 1.00 0.00 C ATOM 846 CE LYS A 58 10.901 3.792 -1.795 1.00 0.00 C ATOM 847 NZ LYS A 58 12.234 3.129 -1.816 1.00 0.00 N ATOM 0 H LYS A 58 5.477 1.939 -0.911 1.00 0.00 H new ATOM 0 HA LYS A 58 6.229 4.757 -0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.771 2.555 -1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.837 4.156 -2.506 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.953 5.081 -0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.331 3.892 0.445 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.524 3.164 0.223 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.734 2.179 -0.992 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.428 3.688 -2.772 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.029 4.859 -1.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.824 3.558 -2.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.696 3.250 -0.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.114 2.115 -2.013 1.00 0.00 H new ATOM 861 N LEU A 59 5.021 5.450 -2.507 1.00 0.00 N ATOM 862 CA LEU A 59 4.174 5.861 -3.621 1.00 0.00 C ATOM 863 C LEU A 59 4.634 7.199 -4.190 1.00 0.00 C ATOM 864 O LEU A 59 5.125 8.060 -3.459 1.00 0.00 O ATOM 865 CB LEU A 59 2.716 5.960 -3.169 1.00 0.00 C ATOM 866 CG LEU A 59 1.762 6.670 -4.130 1.00 0.00 C ATOM 867 CD1 LEU A 59 1.445 5.780 -5.322 1.00 0.00 C ATOM 868 CD2 LEU A 59 0.484 7.076 -3.411 1.00 0.00 C ATOM 0 H LEU A 59 5.339 6.217 -1.914 1.00 0.00 H new ATOM 0 HA LEU A 59 4.255 5.107 -4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.341 4.951 -2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.688 6.479 -2.211 1.00 0.00 H new ATOM 0 HG LEU A 59 2.251 7.573 -4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.765 6.302 -5.995 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.367 5.540 -5.852 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.976 4.860 -4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.183 7.580 -4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.009 6.188 -3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.727 7.752 -2.591 1.00 0.00 H new ATOM 880 N ARG A 60 4.470 7.368 -5.498 1.00 0.00 N ATOM 881 CA ARG A 60 4.868 8.602 -6.165 1.00 0.00 C ATOM 882 C ARG A 60 6.200 9.109 -5.621 1.00 0.00 C ATOM 883 O ARG A 60 6.348 10.292 -5.315 1.00 0.00 O ATOM 884 CB ARG A 60 3.790 9.673 -5.986 1.00 0.00 C ATOM 885 CG ARG A 60 2.459 9.311 -6.624 1.00 0.00 C ATOM 886 CD ARG A 60 1.311 10.085 -5.995 1.00 0.00 C ATOM 887 NE ARG A 60 0.035 9.793 -6.643 1.00 0.00 N ATOM 888 CZ ARG A 60 -0.367 10.373 -7.768 1.00 0.00 C ATOM 889 NH1 ARG A 60 0.403 11.270 -8.368 1.00 0.00 N ATOM 890 NH2 ARG A 60 -1.542 10.055 -8.296 1.00 0.00 N ATOM 0 H ARG A 60 4.064 6.666 -6.117 1.00 0.00 H new ATOM 0 HA ARG A 60 4.987 8.390 -7.227 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.637 9.848 -4.921 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.146 10.610 -6.415 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.498 9.520 -7.693 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.281 8.241 -6.515 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.245 9.838 -4.935 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.515 11.154 -6.061 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.581 9.106 -6.208 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.307 11.517 -7.966 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.091 11.714 -9.232 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.137 9.365 -7.838 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.850 10.501 -9.160 1.00 0.00 H new ATOM 904 N GLY A 61 7.168 8.205 -5.501 1.00 0.00 N ATOM 905 CA GLY A 61 8.474 8.580 -4.993 1.00 0.00 C ATOM 906 C GLY A 61 8.412 9.130 -3.582 1.00 0.00 C ATOM 907 O GLY A 61 9.117 10.082 -3.249 1.00 0.00 O ATOM 0 H GLY A 61 7.070 7.220 -5.747 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.131 7.710 -5.012 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.916 9.328 -5.652 1.00 0.00 H new ATOM 911 N GLN A 62 7.566 8.529 -2.752 1.00 0.00 N ATOM 912 CA GLN A 62 7.413 8.967 -1.369 1.00 0.00 C ATOM 913 C GLN A 62 7.380 7.773 -0.421 1.00 0.00 C ATOM 914 O GLN A 62 7.373 6.621 -0.855 1.00 0.00 O ATOM 915 CB GLN A 62 6.135 9.793 -1.212 1.00 0.00 C ATOM 916 CG GLN A 62 6.074 11.000 -2.134 1.00 0.00 C ATOM 917 CD GLN A 62 6.818 12.198 -1.577 1.00 0.00 C ATOM 918 OE1 GLN A 62 7.008 12.318 -0.366 1.00 0.00 O ATOM 919 NE2 GLN A 62 7.243 13.094 -2.460 1.00 0.00 N ATOM 0 H GLN A 62 6.976 7.738 -3.012 1.00 0.00 H new ATOM 0 HA GLN A 62 8.272 9.587 -1.113 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.273 9.154 -1.406 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.055 10.131 -0.179 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.496 10.734 -3.103 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.032 11.271 -2.303 1.00 0.00 H new ATOM 0 HE21 GLN A 62 7.064 12.955 -3.454 1.00 0.00 H new ATOM 0 HE22 GLN A 62 7.749 13.921 -2.144 1.00 0.00 H new ATOM 928 N THR A 63 7.360 8.056 0.878 1.00 0.00 N ATOM 929 CA THR A 63 7.329 7.006 1.888 1.00 0.00 C ATOM 930 C THR A 63 6.483 7.420 3.087 1.00 0.00 C ATOM 931 O THR A 63 6.508 8.576 3.506 1.00 0.00 O ATOM 932 CB THR A 63 8.748 6.652 2.374 1.00 0.00 C ATOM 933 OG1 THR A 63 9.646 6.591 1.260 1.00 0.00 O ATOM 934 CG2 THR A 63 8.752 5.320 3.109 1.00 0.00 C ATOM 0 H THR A 63 7.365 9.004 1.255 1.00 0.00 H new ATOM 0 HA THR A 63 6.884 6.129 1.418 1.00 0.00 H new ATOM 0 HB THR A 63 9.077 7.430 3.063 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.546 6.367 1.577 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.764 5.091 3.442 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.090 5.379 3.973 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.405 4.534 2.439 1.00 0.00 H new ATOM 942 N GLY A 64 5.735 6.467 3.635 1.00 0.00 N ATOM 943 CA GLY A 64 4.892 6.753 4.781 1.00 0.00 C ATOM 944 C GLY A 64 4.112 5.539 5.244 1.00 0.00 C ATOM 945 O GLY A 64 4.093 4.510 4.568 1.00 0.00 O ATOM 0 H GLY A 64 5.698 5.502 3.306 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.510 7.118 5.601 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.196 7.552 4.526 1.00 0.00 H new ATOM 949 N ILE A 65 3.469 5.657 6.401 1.00 0.00 N ATOM 950 CA ILE A 65 2.685 4.560 6.954 1.00 0.00 C ATOM 951 C ILE A 65 1.224 4.657 6.527 1.00 0.00 C ATOM 952 O ILE A 65 0.719 5.745 6.250 1.00 0.00 O ATOM 953 CB ILE A 65 2.757 4.536 8.493 1.00 0.00 C ATOM 954 CG1 ILE A 65 2.236 5.854 9.070 1.00 0.00 C ATOM 955 CG2 ILE A 65 4.184 4.278 8.952 1.00 0.00 C ATOM 956 CD1 ILE A 65 1.646 5.715 10.456 1.00 0.00 C ATOM 0 H ILE A 65 3.476 6.501 6.973 1.00 0.00 H new ATOM 0 HA ILE A 65 3.115 3.638 6.563 1.00 0.00 H new ATOM 0 HB ILE A 65 2.126 3.726 8.859 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.053 6.575 9.102 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.478 6.260 8.400 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.219 4.264 10.041 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.522 3.317 8.566 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.835 5.068 8.578 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.297 6.688 10.802 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.808 5.018 10.427 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.407 5.338 11.139 1.00 0.00 H new ATOM 968 N PHE A 66 0.551 3.513 6.477 1.00 0.00 N ATOM 969 CA PHE A 66 -0.853 3.469 6.084 1.00 0.00 C ATOM 970 C PHE A 66 -1.489 2.141 6.485 1.00 0.00 C ATOM 971 O PHE A 66 -0.823 1.111 6.589 1.00 0.00 O ATOM 972 CB PHE A 66 -0.988 3.676 4.574 1.00 0.00 C ATOM 973 CG PHE A 66 -0.412 2.553 3.760 1.00 0.00 C ATOM 974 CD1 PHE A 66 0.928 2.553 3.406 1.00 0.00 C ATOM 975 CD2 PHE A 66 -1.209 1.496 3.350 1.00 0.00 C ATOM 976 CE1 PHE A 66 1.461 1.521 2.657 1.00 0.00 C ATOM 977 CE2 PHE A 66 -0.681 0.461 2.602 1.00 0.00 C ATOM 978 CZ PHE A 66 0.656 0.473 2.256 1.00 0.00 C ATOM 0 H PHE A 66 0.954 2.604 6.704 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.375 4.273 6.603 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.043 3.791 4.324 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.492 4.606 4.297 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.563 3.369 3.719 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.255 1.481 3.618 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.506 1.534 2.386 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.313 -0.356 2.288 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.071 -0.336 1.673 1.00 0.00 H new ATOM 988 N PRO A 67 -2.810 2.165 6.718 1.00 0.00 N ATOM 989 CA PRO A 67 -3.565 0.972 7.112 1.00 0.00 C ATOM 990 C PRO A 67 -3.684 -0.040 5.978 1.00 0.00 C ATOM 991 O PRO A 67 -4.207 0.272 4.908 1.00 0.00 O ATOM 992 CB PRO A 67 -4.943 1.530 7.478 1.00 0.00 C ATOM 993 CG PRO A 67 -5.059 2.795 6.699 1.00 0.00 C ATOM 994 CD PRO A 67 -3.667 3.358 6.614 1.00 0.00 C ATOM 0 HA PRO A 67 -3.079 0.432 7.924 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.736 0.830 7.216 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.023 1.716 8.549 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.465 2.606 5.705 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.734 3.496 7.191 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.505 3.889 5.676 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.470 4.066 7.419 1.00 0.00 H new ATOM 1002 N ALA A 68 -3.197 -1.252 6.219 1.00 0.00 N ATOM 1003 CA ALA A 68 -3.251 -2.311 5.219 1.00 0.00 C ATOM 1004 C ALA A 68 -4.690 -2.603 4.806 1.00 0.00 C ATOM 1005 O ALA A 68 -4.942 -3.098 3.709 1.00 0.00 O ATOM 1006 CB ALA A 68 -2.585 -3.572 5.748 1.00 0.00 C ATOM 0 H ALA A 68 -2.760 -1.525 7.099 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.709 -1.971 4.336 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.633 -4.354 4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.542 -3.361 5.986 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.102 -3.906 6.648 1.00 0.00 H new ATOM 1012 N ASN A 69 -5.630 -2.293 5.694 1.00 0.00 N ATOM 1013 CA ASN A 69 -7.044 -2.524 5.422 1.00 0.00 C ATOM 1014 C ASN A 69 -7.521 -1.663 4.256 1.00 0.00 C ATOM 1015 O ASN A 69 -8.613 -1.868 3.726 1.00 0.00 O ATOM 1016 CB ASN A 69 -7.880 -2.225 6.668 1.00 0.00 C ATOM 1017 CG ASN A 69 -9.296 -2.756 6.555 1.00 0.00 C ATOM 1018 OD1 ASN A 69 -9.552 -3.723 5.839 1.00 0.00 O ATOM 1019 ND2 ASN A 69 -10.223 -2.123 7.265 1.00 0.00 N ATOM 0 H ASN A 69 -5.438 -1.882 6.607 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.170 -3.572 5.152 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.398 -2.666 7.540 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.911 -1.148 6.832 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.194 -2.435 7.230 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.964 -1.325 7.845 1.00 0.00 H new ATOM 1026 N TYR A 70 -6.695 -0.700 3.863 1.00 0.00 N ATOM 1027 CA TYR A 70 -7.034 0.194 2.762 1.00 0.00 C ATOM 1028 C TYR A 70 -6.378 -0.269 1.464 1.00 0.00 C ATOM 1029 O TYR A 70 -6.460 0.407 0.438 1.00 0.00 O ATOM 1030 CB TYR A 70 -6.597 1.624 3.085 1.00 0.00 C ATOM 1031 CG TYR A 70 -7.611 2.398 3.897 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -8.123 1.881 5.080 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -8.055 3.647 3.480 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -9.051 2.584 5.824 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -8.981 4.358 4.219 1.00 0.00 C ATOM 1036 CZ TYR A 70 -9.476 3.822 5.390 1.00 0.00 C ATOM 1037 OH TYR A 70 -10.399 4.527 6.129 1.00 0.00 O ATOM 0 H TYR A 70 -5.787 -0.518 4.290 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.116 0.173 2.630 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.654 1.592 3.631 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.408 2.156 2.153 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.790 0.913 5.424 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.670 4.069 2.563 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -9.441 2.166 6.740 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.315 5.328 3.882 1.00 0.00 H new ATOM 0 HH TYR A 70 -10.590 5.380 5.686 1.00 0.00 H new ATOM 1047 N VAL A 71 -5.729 -1.427 1.517 1.00 0.00 N ATOM 1048 CA VAL A 71 -5.060 -1.983 0.346 1.00 0.00 C ATOM 1049 C VAL A 71 -5.310 -3.483 0.231 1.00 0.00 C ATOM 1050 O VAL A 71 -5.886 -4.099 1.129 1.00 0.00 O ATOM 1051 CB VAL A 71 -3.542 -1.728 0.393 1.00 0.00 C ATOM 1052 CG1 VAL A 71 -3.254 -0.242 0.540 1.00 0.00 C ATOM 1053 CG2 VAL A 71 -2.904 -2.518 1.526 1.00 0.00 C ATOM 0 H VAL A 71 -5.652 -1.999 2.358 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.478 -1.480 -0.526 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.105 -2.067 -0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.176 -0.082 0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.676 0.296 -0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.703 0.126 1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.831 -2.326 1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.344 -2.212 2.475 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.079 -3.583 1.371 1.00 0.00 H new ATOM 1063 N THR A 72 -4.871 -4.067 -0.879 1.00 0.00 N ATOM 1064 CA THR A 72 -5.046 -5.495 -1.112 1.00 0.00 C ATOM 1065 C THR A 72 -3.802 -6.105 -1.746 1.00 0.00 C ATOM 1066 O THR A 72 -3.277 -5.586 -2.731 1.00 0.00 O ATOM 1067 CB THR A 72 -6.259 -5.771 -2.021 1.00 0.00 C ATOM 1068 OG1 THR A 72 -6.494 -7.180 -2.111 1.00 0.00 O ATOM 1069 CG2 THR A 72 -6.034 -5.199 -3.413 1.00 0.00 C ATOM 0 H THR A 72 -4.391 -3.573 -1.631 1.00 0.00 H new ATOM 0 HA THR A 72 -5.218 -5.955 -0.139 1.00 0.00 H new ATOM 0 HB THR A 72 -7.131 -5.285 -1.583 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.268 -7.346 -2.689 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.904 -5.406 -4.037 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.886 -4.121 -3.344 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.151 -5.659 -3.857 1.00 0.00 H new ATOM 1077 N MET A 73 -3.335 -7.211 -1.176 1.00 0.00 N ATOM 1078 CA MET A 73 -2.152 -7.894 -1.687 1.00 0.00 C ATOM 1079 C MET A 73 -2.519 -8.834 -2.831 1.00 0.00 C ATOM 1080 O MET A 73 -2.688 -10.035 -2.629 1.00 0.00 O ATOM 1081 CB MET A 73 -1.465 -8.678 -0.568 1.00 0.00 C ATOM 1082 CG MET A 73 -0.898 -7.795 0.533 1.00 0.00 C ATOM 1083 SD MET A 73 -0.093 -8.744 1.838 1.00 0.00 S ATOM 1084 CE MET A 73 -1.435 -9.808 2.361 1.00 0.00 C ATOM 0 H MET A 73 -3.758 -7.653 -0.360 1.00 0.00 H new ATOM 0 HA MET A 73 -1.463 -7.139 -2.067 1.00 0.00 H new ATOM 0 HB2 MET A 73 -2.181 -9.375 -0.131 1.00 0.00 H new ATOM 0 HB3 MET A 73 -0.659 -9.275 -0.995 1.00 0.00 H new ATOM 0 HG2 MET A 73 -0.181 -7.097 0.101 1.00 0.00 H new ATOM 0 HG3 MET A 73 -1.702 -7.199 0.965 1.00 0.00 H new ATOM 0 HE1 MET A 73 -1.211 -10.218 3.346 1.00 0.00 H new ATOM 0 HE2 MET A 73 -2.359 -9.231 2.409 1.00 0.00 H new ATOM 0 HE3 MET A 73 -1.553 -10.623 1.647 1.00 0.00 H new ATOM 1094 N ASN A 74 -2.640 -8.278 -4.033 1.00 0.00 N ATOM 1095 CA ASN A 74 -2.988 -9.067 -5.208 1.00 0.00 C ATOM 1096 C ASN A 74 -1.740 -9.663 -5.852 1.00 0.00 C ATOM 1097 O ASN A 74 -0.944 -8.951 -6.465 1.00 0.00 O ATOM 1098 CB ASN A 74 -3.737 -8.203 -6.225 1.00 0.00 C ATOM 1099 CG ASN A 74 -4.458 -9.033 -7.269 1.00 0.00 C ATOM 1100 OD1 ASN A 74 -3.852 -9.501 -8.234 1.00 0.00 O ATOM 1101 ND2 ASN A 74 -5.759 -9.220 -7.081 1.00 0.00 N ATOM 0 H ASN A 74 -2.502 -7.284 -4.218 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.635 -9.883 -4.888 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.458 -7.575 -5.703 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -3.032 -7.535 -6.719 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -6.297 -9.770 -7.750 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.220 -8.814 -6.267 1.00 0.00 H new ATOM 1108 N SER A 75 -1.575 -10.974 -5.709 1.00 0.00 N ATOM 1109 CA SER A 75 -0.422 -11.666 -6.274 1.00 0.00 C ATOM 1110 C SER A 75 -0.765 -12.274 -7.630 1.00 0.00 C ATOM 1111 O SER A 75 -1.359 -13.348 -7.710 1.00 0.00 O ATOM 1112 CB SER A 75 0.060 -12.760 -5.319 1.00 0.00 C ATOM 1113 OG SER A 75 0.508 -12.207 -4.094 1.00 0.00 O ATOM 0 H SER A 75 -2.225 -11.579 -5.207 1.00 0.00 H new ATOM 0 HA SER A 75 0.376 -10.937 -6.414 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.750 -13.464 -5.129 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.869 -13.323 -5.785 1.00 0.00 H new ATOM 0 HG SER A 75 0.809 -12.927 -3.501 1.00 0.00 H new ATOM 1119 N GLY A 76 -0.384 -11.577 -8.697 1.00 0.00 N ATOM 1120 CA GLY A 76 -0.659 -12.062 -10.037 1.00 0.00 C ATOM 1121 C GLY A 76 0.593 -12.163 -10.885 1.00 0.00 C ATOM 1122 O GLY A 76 1.544 -11.398 -10.720 1.00 0.00 O ATOM 0 H GLY A 76 0.110 -10.686 -8.657 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.132 -13.042 -9.975 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.370 -11.394 -10.523 1.00 0.00 H new ATOM 1126 N PRO A 77 0.606 -13.128 -11.817 1.00 0.00 N ATOM 1127 CA PRO A 77 1.745 -13.349 -12.712 1.00 0.00 C ATOM 1128 C PRO A 77 1.909 -12.227 -13.731 1.00 0.00 C ATOM 1129 O PRO A 77 1.176 -11.238 -13.703 1.00 0.00 O ATOM 1130 CB PRO A 77 1.394 -14.663 -13.415 1.00 0.00 C ATOM 1131 CG PRO A 77 -0.093 -14.736 -13.360 1.00 0.00 C ATOM 1132 CD PRO A 77 -0.492 -14.076 -12.069 1.00 0.00 C ATOM 0 HA PRO A 77 2.690 -13.379 -12.169 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.753 -14.670 -14.444 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.851 -15.515 -12.912 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.541 -14.227 -14.213 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.434 -15.771 -13.391 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.451 -13.566 -12.158 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.591 -14.801 -11.261 1.00 0.00 H new ATOM 1140 N SER A 78 2.875 -12.387 -14.631 1.00 0.00 N ATOM 1141 CA SER A 78 3.136 -11.385 -15.657 1.00 0.00 C ATOM 1142 C SER A 78 2.810 -11.930 -17.044 1.00 0.00 C ATOM 1143 O SER A 78 3.277 -13.003 -17.427 1.00 0.00 O ATOM 1144 CB SER A 78 4.599 -10.939 -15.603 1.00 0.00 C ATOM 1145 OG SER A 78 4.778 -9.698 -16.264 1.00 0.00 O ATOM 0 H SER A 78 3.489 -13.201 -14.670 1.00 0.00 H new ATOM 0 HA SER A 78 2.494 -10.526 -15.463 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.918 -10.851 -14.564 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.231 -11.696 -16.067 1.00 0.00 H new ATOM 0 HG SER A 78 5.720 -9.434 -16.214 1.00 0.00 H new ATOM 1151 N SER A 79 2.005 -11.183 -17.793 1.00 0.00 N ATOM 1152 CA SER A 79 1.612 -11.592 -19.136 1.00 0.00 C ATOM 1153 C SER A 79 2.384 -10.805 -20.191 1.00 0.00 C ATOM 1154 O SER A 79 2.082 -9.642 -20.459 1.00 0.00 O ATOM 1155 CB SER A 79 0.108 -11.392 -19.333 1.00 0.00 C ATOM 1156 OG SER A 79 -0.264 -11.621 -20.681 1.00 0.00 O ATOM 0 H SER A 79 1.612 -10.291 -17.492 1.00 0.00 H new ATOM 0 HA SER A 79 1.849 -12.650 -19.251 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.441 -12.071 -18.680 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.168 -10.378 -19.043 1.00 0.00 H new ATOM 0 HG SER A 79 -1.230 -11.488 -20.781 1.00 0.00 H new ATOM 1162 N GLY A 80 3.383 -11.448 -20.788 1.00 0.00 N ATOM 1163 CA GLY A 80 4.183 -10.795 -21.807 1.00 0.00 C ATOM 1164 C GLY A 80 5.348 -11.649 -22.266 1.00 0.00 C ATOM 1165 O GLY A 80 5.198 -12.853 -22.474 1.00 0.00 O ATOM 0 H GLY A 80 3.652 -12.410 -20.584 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.552 -10.557 -22.663 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.561 -9.850 -21.417 1.00 0.00 H new TER 1169 GLY A 80