USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 856 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 58 GLN :FLIP amide:sc= 1.09 F(o=0.86,f=1.9) USER MOD Set 1.2: A 103 HIS : no HD1:sc= 0.776 K(o=1.9,f=-2.1) USER MOD Set 2.1: A 63 CYS SG : rot -87:sc= 1.52 USER MOD Set 2.2: A 90 CYS SG : rot -67:sc= 1.4 USER MOD Set 3.1: A 43 TYR OH : rot 10:sc= 1.2 USER MOD Set 3.2: A 46 THR OG1 : rot 180:sc= 1.06 USER MOD Set 4.1: A 32 THR OG1 : rot 180:sc= 0.746 USER MOD Set 4.2: A 50 THR OG1 : rot -74:sc= 0.839 USER MOD Single : A 26 GLN : amide:sc= -0.0703 X(o=-0.07,f=-0.19) USER MOD Single : A 33 TYR OH : rot -170:sc= 0.348 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 1.2 K(o=1.2,f=-7.6!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 MET CE :methyl -159:sc= -0.104 (180deg=-0.784) USER MOD Single : A 52 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.0074) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0159 USER MOD Single : A 56 SER OG : rot 54:sc= 1.29 USER MOD Single : A 65 THR OG1 : rot -98:sc= 0.202 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.533 F(o=-1.4,f=-0.53) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 175:sc= -0.0834 (180deg=-0.141) USER MOD Single : A 75 ASN : amide:sc= -1.14 X(o=-1.1,f=-1) USER MOD Single : A 76 THR OG1 : rot -171:sc= 1.22 USER MOD Single : A 78 SER OG : rot -97:sc= 1.32 USER MOD Single : A 82 MET CE :methyl 146:sc= -1.93! (180deg=-6.72!) USER MOD Single : A 83 ASN : amide:sc= -0.311 K(o=-0.31,f=-1.6) USER MOD Single : A 94 THR OG1 : rot 39:sc= 0.00248 USER MOD Single : A 95 THR OG1 : rot 180:sc=-0.00038 USER MOD Single : A 96 MET CE :methyl -168:sc= -0.19 (180deg=-0.241) USER MOD Single : A 98 GLN : amide:sc= -0.0213 X(o=-0.021,f=-0.077) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 ASN : amide:sc= 0.399 K(o=0.4,f=-1.1) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.0198 X(o=-0.02,f=-0.02) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 160:sc= 0 USER MOD Single : A 122 ASN : amide:sc=-0.00779 X(o=-0.0078,f=-0.0078) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 -9.790 -17.073 6.964 1.00 0.00 N ATOM 2 CA GLY A 25 -8.748 -17.230 5.946 1.00 0.00 C ATOM 3 C GLY A 25 -7.571 -18.003 6.509 1.00 0.00 C ATOM 4 O GLY A 25 -7.780 -18.996 7.212 1.00 0.00 O ATOM 0 HA2 GLY A 25 -9.153 -17.752 5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.417 -16.250 5.602 1.00 0.00 H new ATOM 8 N GLN A 26 -6.341 -17.577 6.215 1.00 0.00 N ATOM 9 CA GLN A 26 -5.122 -18.098 6.827 1.00 0.00 C ATOM 10 C GLN A 26 -4.302 -16.941 7.398 1.00 0.00 C ATOM 11 O GLN A 26 -4.791 -15.818 7.395 1.00 0.00 O ATOM 12 CB GLN A 26 -4.363 -19.073 5.898 1.00 0.00 C ATOM 13 CG GLN A 26 -3.275 -18.507 4.963 1.00 0.00 C ATOM 14 CD GLN A 26 -3.653 -18.182 3.520 1.00 0.00 C ATOM 15 OE1 GLN A 26 -2.760 -18.082 2.679 1.00 0.00 O ATOM 16 NE2 GLN A 26 -4.907 -17.979 3.168 1.00 0.00 N ATOM 0 H GLN A 26 -6.163 -16.843 5.529 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.375 -18.732 7.676 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.897 -19.833 6.526 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.101 -19.581 5.277 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.888 -17.595 5.418 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.454 -19.224 4.937 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.651 -18.061 3.861 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.133 -17.740 2.203 1.00 0.00 H new ATOM 25 N GLU A 27 -3.092 -17.187 7.909 1.00 0.00 N ATOM 26 CA GLU A 27 -2.129 -16.142 8.253 1.00 0.00 C ATOM 27 C GLU A 27 -0.731 -16.782 8.281 1.00 0.00 C ATOM 28 O GLU A 27 -0.627 -17.911 8.763 1.00 0.00 O ATOM 29 CB GLU A 27 -2.596 -15.460 9.564 1.00 0.00 C ATOM 30 CG GLU A 27 -1.561 -14.553 10.243 1.00 0.00 C ATOM 31 CD GLU A 27 -0.886 -15.180 11.464 1.00 0.00 C ATOM 32 OE1 GLU A 27 -0.291 -16.274 11.363 1.00 0.00 O ATOM 33 OE2 GLU A 27 -0.961 -14.565 12.552 1.00 0.00 O ATOM 0 H GLU A 27 -2.752 -18.130 8.097 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.070 -15.337 7.520 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.486 -14.868 9.348 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.893 -16.235 10.270 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.795 -14.286 9.515 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.049 -13.627 10.547 1.00 0.00 H new ATOM 41 N LEU A 28 0.313 -16.143 7.711 1.00 0.00 N ATOM 42 CA LEU A 28 1.706 -16.576 7.792 1.00 0.00 C ATOM 43 C LEU A 28 2.788 -15.477 7.586 1.00 0.00 C ATOM 44 O LEU A 28 3.654 -15.611 6.726 1.00 0.00 O ATOM 45 CB LEU A 28 1.937 -17.844 6.955 1.00 0.00 C ATOM 46 CG LEU A 28 1.530 -17.960 5.470 1.00 0.00 C ATOM 47 CD1 LEU A 28 0.025 -18.113 5.249 1.00 0.00 C ATOM 48 CD2 LEU A 28 2.009 -16.779 4.639 1.00 0.00 C ATOM 0 H LEU A 28 0.196 -15.288 7.168 1.00 0.00 H new ATOM 0 HA LEU A 28 1.860 -16.830 8.841 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.006 -18.053 7.000 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.431 -18.656 7.478 1.00 0.00 H new ATOM 0 HG LEU A 28 2.024 -18.874 5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.180 -18.188 4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.327 -19.015 5.750 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.493 -17.245 5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.696 -16.912 3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.579 -15.858 5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.096 -16.719 4.684 1.00 0.00 H new ATOM 60 N PRO A 29 2.807 -14.380 8.354 1.00 0.00 N ATOM 61 CA PRO A 29 3.753 -13.284 8.190 1.00 0.00 C ATOM 62 C PRO A 29 5.179 -13.674 8.600 1.00 0.00 C ATOM 63 O PRO A 29 5.378 -14.096 9.741 1.00 0.00 O ATOM 64 CB PRO A 29 3.241 -12.136 9.066 1.00 0.00 C ATOM 65 CG PRO A 29 2.312 -12.819 10.085 1.00 0.00 C ATOM 66 CD PRO A 29 1.844 -14.079 9.375 1.00 0.00 C ATOM 0 HA PRO A 29 3.813 -13.000 7.139 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.062 -11.617 9.561 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.705 -11.393 8.475 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.839 -13.055 11.009 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.473 -12.177 10.352 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.759 -14.907 10.079 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.856 -13.929 8.939 1.00 0.00 H new ATOM 74 N PRO A 30 6.174 -13.503 7.718 1.00 0.00 N ATOM 75 CA PRO A 30 7.571 -13.360 8.093 1.00 0.00 C ATOM 76 C PRO A 30 7.937 -11.897 8.404 1.00 0.00 C ATOM 77 O PRO A 30 8.842 -11.668 9.207 1.00 0.00 O ATOM 78 CB PRO A 30 8.331 -13.844 6.859 1.00 0.00 C ATOM 79 CG PRO A 30 7.449 -13.387 5.698 1.00 0.00 C ATOM 80 CD PRO A 30 6.044 -13.525 6.274 1.00 0.00 C ATOM 0 HA PRO A 30 7.808 -13.920 8.998 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.327 -13.406 6.803 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.459 -14.926 6.865 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.667 -12.361 5.403 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.588 -14.009 4.814 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.405 -12.711 5.932 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.581 -14.454 5.943 1.00 0.00 H new ATOM 88 N GLY A 31 7.267 -10.906 7.795 1.00 0.00 N ATOM 89 CA GLY A 31 7.609 -9.494 7.895 1.00 0.00 C ATOM 90 C GLY A 31 7.688 -8.829 6.527 1.00 0.00 C ATOM 91 O GLY A 31 6.668 -8.366 6.017 1.00 0.00 O ATOM 0 H GLY A 31 6.452 -11.078 7.206 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.864 -8.983 8.504 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.566 -9.388 8.406 1.00 0.00 H new ATOM 95 N THR A 32 8.874 -8.773 5.926 1.00 0.00 N ATOM 96 CA THR A 32 9.129 -8.081 4.667 1.00 0.00 C ATOM 97 C THR A 32 9.213 -9.099 3.533 1.00 0.00 C ATOM 98 O THR A 32 9.589 -10.255 3.723 1.00 0.00 O ATOM 99 CB THR A 32 10.372 -7.158 4.790 1.00 0.00 C ATOM 100 OG1 THR A 32 10.270 -6.310 5.926 1.00 0.00 O ATOM 101 CG2 THR A 32 10.644 -6.239 3.581 1.00 0.00 C ATOM 0 H THR A 32 9.706 -9.220 6.312 1.00 0.00 H new ATOM 0 HA THR A 32 8.301 -7.415 4.425 1.00 0.00 H new ATOM 0 HB THR A 32 11.197 -7.867 4.865 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.065 -5.740 5.981 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.533 -5.639 3.773 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.802 -6.847 2.690 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.789 -5.581 3.425 1.00 0.00 H new ATOM 109 N TYR A 33 8.810 -8.668 2.337 1.00 0.00 N ATOM 110 CA TYR A 33 8.983 -9.378 1.088 1.00 0.00 C ATOM 111 C TYR A 33 9.228 -8.347 -0.019 1.00 0.00 C ATOM 112 O TYR A 33 8.678 -7.246 0.054 1.00 0.00 O ATOM 113 CB TYR A 33 7.779 -10.311 0.855 1.00 0.00 C ATOM 114 CG TYR A 33 6.464 -9.788 0.264 1.00 0.00 C ATOM 115 CD1 TYR A 33 5.790 -8.641 0.748 1.00 0.00 C ATOM 116 CD2 TYR A 33 5.858 -10.548 -0.752 1.00 0.00 C ATOM 117 CE1 TYR A 33 4.533 -8.258 0.216 1.00 0.00 C ATOM 118 CE2 TYR A 33 4.648 -10.135 -1.331 1.00 0.00 C ATOM 119 CZ TYR A 33 3.975 -8.997 -0.845 1.00 0.00 C ATOM 120 OH TYR A 33 2.765 -8.653 -1.361 1.00 0.00 O ATOM 0 H TYR A 33 8.334 -7.774 2.217 1.00 0.00 H new ATOM 0 HA TYR A 33 9.854 -10.034 1.100 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.122 -11.115 0.203 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.537 -10.762 1.817 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.239 -8.050 1.533 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.329 -11.459 -1.090 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.007 -7.406 0.621 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.230 -10.694 -2.155 1.00 0.00 H new ATOM 0 HH TYR A 33 2.461 -9.353 -1.976 1.00 0.00 H new ATOM 130 N ARG A 34 10.034 -8.663 -1.042 1.00 0.00 N ATOM 131 CA ARG A 34 10.185 -7.789 -2.207 1.00 0.00 C ATOM 132 C ARG A 34 9.518 -8.436 -3.399 1.00 0.00 C ATOM 133 O ARG A 34 9.748 -9.616 -3.660 1.00 0.00 O ATOM 134 CB ARG A 34 11.645 -7.459 -2.555 1.00 0.00 C ATOM 135 CG ARG A 34 11.617 -6.131 -3.327 1.00 0.00 C ATOM 136 CD ARG A 34 12.556 -5.948 -4.498 1.00 0.00 C ATOM 137 NE ARG A 34 13.893 -5.533 -4.049 1.00 0.00 N ATOM 138 CZ ARG A 34 15.000 -5.469 -4.801 1.00 0.00 C ATOM 139 NH1 ARG A 34 14.972 -5.738 -6.102 1.00 0.00 N ATOM 140 NH2 ARG A 34 16.148 -5.137 -4.233 1.00 0.00 N ATOM 0 H ARG A 34 10.590 -9.517 -1.084 1.00 0.00 H new ATOM 0 HA ARG A 34 9.711 -6.842 -1.950 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.249 -7.371 -1.652 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.089 -8.250 -3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.601 -5.984 -3.693 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.818 -5.331 -2.615 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.631 -6.881 -5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.150 -5.200 -5.179 1.00 0.00 H new ATOM 0 HE ARG A 34 13.987 -5.268 -3.069 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.094 -6.000 -6.550 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.829 -5.682 -6.653 1.00 0.00 H new ATOM 0 HH21 ARG A 34 16.183 -4.934 -3.234 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.998 -5.085 -4.794 1.00 0.00 H new ATOM 154 N VAL A 35 8.702 -7.657 -4.098 1.00 0.00 N ATOM 155 CA VAL A 35 7.759 -8.109 -5.101 1.00 0.00 C ATOM 156 C VAL A 35 7.471 -6.964 -6.066 1.00 0.00 C ATOM 157 O VAL A 35 7.937 -5.841 -5.841 1.00 0.00 O ATOM 158 CB VAL A 35 6.467 -8.532 -4.393 1.00 0.00 C ATOM 159 CG1 VAL A 35 6.731 -9.842 -3.656 1.00 0.00 C ATOM 160 CG2 VAL A 35 5.932 -7.455 -3.429 1.00 0.00 C ATOM 0 H VAL A 35 8.683 -6.645 -3.971 1.00 0.00 H new ATOM 0 HA VAL A 35 8.167 -8.952 -5.659 1.00 0.00 H new ATOM 0 HB VAL A 35 5.689 -8.667 -5.145 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.823 -10.161 -3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.033 -10.607 -4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.526 -9.694 -2.925 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.016 -7.811 -2.957 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.679 -7.250 -2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.722 -6.541 -3.985 1.00 0.00 H new ATOM 170 N ASP A 36 6.667 -7.225 -7.098 1.00 0.00 N ATOM 171 CA ASP A 36 5.920 -6.212 -7.818 1.00 0.00 C ATOM 172 C ASP A 36 4.688 -5.877 -6.997 1.00 0.00 C ATOM 173 O ASP A 36 4.149 -6.697 -6.249 1.00 0.00 O ATOM 174 CB ASP A 36 5.499 -6.645 -9.233 1.00 0.00 C ATOM 175 CG ASP A 36 4.809 -7.998 -9.329 1.00 0.00 C ATOM 176 OD1 ASP A 36 5.460 -9.016 -9.016 1.00 0.00 O ATOM 177 OD2 ASP A 36 3.659 -8.047 -9.817 1.00 0.00 O ATOM 0 H ASP A 36 6.519 -8.168 -7.458 1.00 0.00 H new ATOM 0 HA ASP A 36 6.569 -5.347 -7.952 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.831 -5.887 -9.642 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.386 -6.664 -9.867 1.00 0.00 H new ATOM 183 N ILE A 37 4.248 -4.640 -7.153 1.00 0.00 N ATOM 184 CA ILE A 37 3.212 -4.003 -6.378 1.00 0.00 C ATOM 185 C ILE A 37 2.159 -3.610 -7.409 1.00 0.00 C ATOM 186 O ILE A 37 2.498 -3.048 -8.456 1.00 0.00 O ATOM 187 CB ILE A 37 3.811 -2.797 -5.610 1.00 0.00 C ATOM 188 CG1 ILE A 37 4.944 -3.226 -4.640 1.00 0.00 C ATOM 189 CG2 ILE A 37 2.716 -2.035 -4.845 1.00 0.00 C ATOM 190 CD1 ILE A 37 5.888 -2.078 -4.262 1.00 0.00 C ATOM 0 H ILE A 37 4.631 -4.022 -7.868 1.00 0.00 H new ATOM 0 HA ILE A 37 2.769 -4.638 -5.611 1.00 0.00 H new ATOM 0 HB ILE A 37 4.249 -2.133 -6.355 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.500 -3.635 -3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.523 -4.026 -5.101 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.161 -1.194 -4.314 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.970 -1.666 -5.549 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.240 -2.704 -4.129 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.656 -2.447 -3.582 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.359 -1.683 -5.162 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.320 -1.286 -3.773 1.00 0.00 H new ATOM 202 N TYR A 38 0.901 -3.942 -7.142 1.00 0.00 N ATOM 203 CA TYR A 38 -0.133 -4.009 -8.169 1.00 0.00 C ATOM 204 C TYR A 38 -1.420 -3.435 -7.590 1.00 0.00 C ATOM 205 O TYR A 38 -1.846 -3.844 -6.513 1.00 0.00 O ATOM 206 CB TYR A 38 -0.300 -5.475 -8.614 1.00 0.00 C ATOM 207 CG TYR A 38 -0.206 -5.704 -10.106 1.00 0.00 C ATOM 208 CD1 TYR A 38 -1.329 -5.499 -10.923 1.00 0.00 C ATOM 209 CD2 TYR A 38 0.997 -6.171 -10.672 1.00 0.00 C ATOM 210 CE1 TYR A 38 -1.245 -5.735 -12.305 1.00 0.00 C ATOM 211 CE2 TYR A 38 1.085 -6.410 -12.055 1.00 0.00 C ATOM 212 CZ TYR A 38 -0.034 -6.167 -12.881 1.00 0.00 C ATOM 213 OH TYR A 38 0.042 -6.277 -14.233 1.00 0.00 O ATOM 0 H TYR A 38 0.568 -4.173 -6.206 1.00 0.00 H new ATOM 0 HA TYR A 38 0.137 -3.424 -9.048 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.462 -6.078 -8.120 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.268 -5.837 -8.266 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.258 -5.160 -10.489 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.856 -6.346 -10.041 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.113 -5.585 -12.929 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.005 -6.778 -12.484 1.00 0.00 H new ATOM 0 HH TYR A 38 0.937 -6.584 -14.486 1.00 0.00 H new ATOM 223 N LEU A 39 -2.026 -2.465 -8.269 1.00 0.00 N ATOM 224 CA LEU A 39 -3.188 -1.717 -7.826 1.00 0.00 C ATOM 225 C LEU A 39 -4.239 -1.714 -8.932 1.00 0.00 C ATOM 226 O LEU A 39 -3.894 -1.421 -10.075 1.00 0.00 O ATOM 227 CB LEU A 39 -2.764 -0.271 -7.530 1.00 0.00 C ATOM 228 CG LEU A 39 -3.902 0.456 -6.787 1.00 0.00 C ATOM 229 CD1 LEU A 39 -3.520 0.763 -5.338 1.00 0.00 C ATOM 230 CD2 LEU A 39 -4.377 1.715 -7.512 1.00 0.00 C ATOM 0 H LEU A 39 -1.700 -2.168 -9.189 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.604 -2.176 -6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.857 -0.263 -6.925 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.532 0.249 -8.460 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.746 -0.233 -6.776 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.346 1.276 -4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.306 -0.168 -4.813 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.636 1.400 -5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.179 2.183 -6.941 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.546 2.413 -7.611 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.745 1.447 -8.502 1.00 0.00 H new ATOM 242 N ASN A 40 -5.508 -1.964 -8.606 1.00 0.00 N ATOM 243 CA ASN A 40 -6.632 -1.953 -9.555 1.00 0.00 C ATOM 244 C ASN A 40 -6.307 -2.748 -10.812 1.00 0.00 C ATOM 245 O ASN A 40 -6.485 -2.256 -11.926 1.00 0.00 O ATOM 246 CB ASN A 40 -7.092 -0.520 -9.893 1.00 0.00 C ATOM 247 CG ASN A 40 -7.760 0.188 -8.733 1.00 0.00 C ATOM 248 OD1 ASN A 40 -8.226 -0.439 -7.790 1.00 0.00 O ATOM 249 ND2 ASN A 40 -7.832 1.502 -8.768 1.00 0.00 N ATOM 0 H ASN A 40 -5.794 -2.186 -7.652 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.470 -2.446 -9.062 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.230 0.063 -10.217 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.785 -0.558 -10.733 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.280 2.009 -8.004 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.440 2.013 -9.559 1.00 0.00 H new ATOM 256 N ASN A 41 -5.838 -3.989 -10.642 1.00 0.00 N ATOM 257 CA ASN A 41 -5.428 -4.855 -11.749 1.00 0.00 C ATOM 258 C ASN A 41 -4.434 -4.133 -12.687 1.00 0.00 C ATOM 259 O ASN A 41 -4.468 -4.301 -13.907 1.00 0.00 O ATOM 260 CB ASN A 41 -6.673 -5.386 -12.488 1.00 0.00 C ATOM 261 CG ASN A 41 -7.397 -6.510 -11.769 1.00 0.00 C ATOM 262 OD1 ASN A 41 -8.404 -6.312 -11.086 1.00 0.00 O ATOM 263 ND2 ASN A 41 -6.943 -7.725 -11.968 1.00 0.00 N ATOM 0 H ASN A 41 -5.732 -4.422 -9.725 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.892 -5.717 -11.351 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.369 -4.561 -12.641 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.372 -5.737 -13.475 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.425 -8.523 -11.555 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.108 -7.871 -12.536 1.00 0.00 H new ATOM 270 N GLY A 42 -3.543 -3.303 -12.137 1.00 0.00 N ATOM 271 CA GLY A 42 -2.539 -2.550 -12.876 1.00 0.00 C ATOM 272 C GLY A 42 -1.240 -2.410 -12.092 1.00 0.00 C ATOM 273 O GLY A 42 -1.246 -2.163 -10.890 1.00 0.00 O ATOM 0 H GLY A 42 -3.504 -3.135 -11.132 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.338 -3.048 -13.825 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.929 -1.560 -13.112 1.00 0.00 H new ATOM 277 N TYR A 43 -0.107 -2.598 -12.758 1.00 0.00 N ATOM 278 CA TYR A 43 1.205 -2.596 -12.135 1.00 0.00 C ATOM 279 C TYR A 43 1.582 -1.196 -11.665 1.00 0.00 C ATOM 280 O TYR A 43 1.234 -0.202 -12.306 1.00 0.00 O ATOM 281 CB TYR A 43 2.213 -3.115 -13.168 1.00 0.00 C ATOM 282 CG TYR A 43 3.666 -2.976 -12.768 1.00 0.00 C ATOM 283 CD1 TYR A 43 4.168 -3.687 -11.664 1.00 0.00 C ATOM 284 CD2 TYR A 43 4.513 -2.127 -13.507 1.00 0.00 C ATOM 285 CE1 TYR A 43 5.510 -3.530 -11.281 1.00 0.00 C ATOM 286 CE2 TYR A 43 5.860 -1.984 -13.142 1.00 0.00 C ATOM 287 CZ TYR A 43 6.360 -2.677 -12.017 1.00 0.00 C ATOM 288 OH TYR A 43 7.653 -2.494 -11.631 1.00 0.00 O ATOM 0 H TYR A 43 -0.077 -2.759 -13.765 1.00 0.00 H new ATOM 0 HA TYR A 43 1.204 -3.238 -11.254 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.004 -4.167 -13.361 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.057 -2.582 -14.106 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.522 -4.353 -11.111 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.125 -1.585 -14.357 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.892 -4.062 -10.423 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.513 -1.346 -13.719 1.00 0.00 H new ATOM 0 HH TYR A 43 7.879 -3.139 -10.928 1.00 0.00 H new ATOM 298 N MET A 44 2.361 -1.124 -10.585 1.00 0.00 N ATOM 299 CA MET A 44 2.942 0.104 -10.075 1.00 0.00 C ATOM 300 C MET A 44 4.460 -0.004 -10.154 1.00 0.00 C ATOM 301 O MET A 44 5.076 0.463 -11.116 1.00 0.00 O ATOM 302 CB MET A 44 2.417 0.398 -8.651 1.00 0.00 C ATOM 303 CG MET A 44 0.940 0.795 -8.662 1.00 0.00 C ATOM 304 SD MET A 44 0.681 2.295 -9.634 1.00 0.00 S ATOM 305 CE MET A 44 -1.020 1.986 -10.103 1.00 0.00 C ATOM 0 H MET A 44 2.608 -1.944 -10.031 1.00 0.00 H new ATOM 0 HA MET A 44 2.641 0.957 -10.683 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.552 -0.484 -8.024 1.00 0.00 H new ATOM 0 HB3 MET A 44 3.006 1.199 -8.205 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.344 -0.018 -9.076 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.595 0.955 -7.640 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.266 2.573 -10.988 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.150 0.926 -10.323 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.681 2.270 -9.284 1.00 0.00 H new ATOM 315 N ALA A 45 5.071 -0.606 -9.140 1.00 0.00 N ATOM 316 CA ALA A 45 6.520 -0.636 -8.953 1.00 0.00 C ATOM 317 C ALA A 45 6.952 -1.959 -8.338 1.00 0.00 C ATOM 318 O ALA A 45 6.102 -2.764 -7.971 1.00 0.00 O ATOM 319 CB ALA A 45 6.947 0.539 -8.071 1.00 0.00 C ATOM 0 H ALA A 45 4.562 -1.099 -8.407 1.00 0.00 H new ATOM 0 HA ALA A 45 7.008 -0.544 -9.923 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.028 0.516 -7.932 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.663 1.476 -8.550 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.455 0.464 -7.101 1.00 0.00 H new ATOM 325 N THR A 46 8.261 -2.167 -8.190 1.00 0.00 N ATOM 326 CA THR A 46 8.821 -3.396 -7.645 1.00 0.00 C ATOM 327 C THR A 46 9.822 -3.020 -6.551 1.00 0.00 C ATOM 328 O THR A 46 10.949 -2.618 -6.850 1.00 0.00 O ATOM 329 CB THR A 46 9.417 -4.227 -8.795 1.00 0.00 C ATOM 330 OG1 THR A 46 8.458 -4.369 -9.831 1.00 0.00 O ATOM 331 CG2 THR A 46 9.910 -5.614 -8.377 1.00 0.00 C ATOM 0 H THR A 46 8.966 -1.477 -8.449 1.00 0.00 H new ATOM 0 HA THR A 46 8.066 -4.028 -7.178 1.00 0.00 H new ATOM 0 HB THR A 46 10.293 -3.676 -9.138 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.842 -4.897 -10.562 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.315 -6.133 -9.246 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.688 -5.511 -7.621 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.079 -6.187 -7.966 1.00 0.00 H new ATOM 339 N ARG A 47 9.403 -3.041 -5.282 1.00 0.00 N ATOM 340 CA ARG A 47 10.192 -2.584 -4.131 1.00 0.00 C ATOM 341 C ARG A 47 9.848 -3.436 -2.909 1.00 0.00 C ATOM 342 O ARG A 47 8.970 -4.293 -2.996 1.00 0.00 O ATOM 343 CB ARG A 47 9.911 -1.102 -3.828 1.00 0.00 C ATOM 344 CG ARG A 47 10.344 -0.084 -4.889 1.00 0.00 C ATOM 345 CD ARG A 47 11.871 -0.063 -5.045 1.00 0.00 C ATOM 346 NE ARG A 47 12.308 0.956 -6.005 1.00 0.00 N ATOM 347 CZ ARG A 47 12.183 0.930 -7.334 1.00 0.00 C ATOM 348 NH1 ARG A 47 11.709 -0.147 -7.944 1.00 0.00 N ATOM 349 NH2 ARG A 47 12.533 2.000 -8.030 1.00 0.00 N ATOM 0 H ARG A 47 8.480 -3.386 -5.018 1.00 0.00 H new ATOM 0 HA ARG A 47 11.250 -2.690 -4.369 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.840 -0.986 -3.664 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.406 -0.847 -2.891 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.881 -0.331 -5.844 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.990 0.909 -4.611 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.332 0.129 -4.076 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.216 -1.043 -5.374 1.00 0.00 H new ATOM 0 HE ARG A 47 12.760 1.781 -5.611 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.437 -0.964 -7.398 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.617 -0.159 -8.960 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.891 2.826 -7.550 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.445 1.999 -9.046 1.00 0.00 H new ATOM 363 N ASP A 48 10.582 -3.261 -1.810 1.00 0.00 N ATOM 364 CA ASP A 48 10.435 -4.041 -0.579 1.00 0.00 C ATOM 365 C ASP A 48 9.155 -3.579 0.107 1.00 0.00 C ATOM 366 O ASP A 48 8.777 -2.408 -0.016 1.00 0.00 O ATOM 367 CB ASP A 48 11.680 -3.916 0.323 1.00 0.00 C ATOM 368 CG ASP A 48 12.981 -4.134 -0.456 1.00 0.00 C ATOM 369 OD1 ASP A 48 13.493 -5.277 -0.507 1.00 0.00 O ATOM 370 OD2 ASP A 48 13.435 -3.174 -1.120 1.00 0.00 O ATOM 0 H ASP A 48 11.315 -2.554 -1.749 1.00 0.00 H new ATOM 0 HA ASP A 48 10.357 -5.105 -0.805 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.695 -2.928 0.784 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.616 -4.644 1.132 1.00 0.00 H new ATOM 376 N VAL A 49 8.468 -4.485 0.798 1.00 0.00 N ATOM 377 CA VAL A 49 7.155 -4.259 1.391 1.00 0.00 C ATOM 378 C VAL A 49 7.104 -5.056 2.693 1.00 0.00 C ATOM 379 O VAL A 49 7.434 -6.236 2.673 1.00 0.00 O ATOM 380 CB VAL A 49 6.063 -4.770 0.418 1.00 0.00 C ATOM 381 CG1 VAL A 49 4.681 -4.283 0.872 1.00 0.00 C ATOM 382 CG2 VAL A 49 6.277 -4.392 -1.062 1.00 0.00 C ATOM 0 H VAL A 49 8.822 -5.427 0.965 1.00 0.00 H new ATOM 0 HA VAL A 49 6.984 -3.200 1.583 1.00 0.00 H new ATOM 0 HB VAL A 49 6.133 -5.857 0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.921 -4.648 0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.473 -4.661 1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.666 -3.193 0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.461 -4.795 -1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.299 -3.307 -1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.223 -4.807 -1.410 1.00 0.00 H new ATOM 392 N THR A 50 6.664 -4.464 3.800 1.00 0.00 N ATOM 393 CA THR A 50 6.442 -5.175 5.060 1.00 0.00 C ATOM 394 C THR A 50 4.946 -5.321 5.254 1.00 0.00 C ATOM 395 O THR A 50 4.190 -4.411 4.902 1.00 0.00 O ATOM 396 CB THR A 50 7.080 -4.423 6.233 1.00 0.00 C ATOM 397 OG1 THR A 50 8.420 -4.126 5.889 1.00 0.00 O ATOM 398 CG2 THR A 50 7.123 -5.230 7.530 1.00 0.00 C ATOM 0 H THR A 50 6.449 -3.468 3.850 1.00 0.00 H new ATOM 0 HA THR A 50 6.910 -6.159 5.024 1.00 0.00 H new ATOM 0 HB THR A 50 6.468 -3.538 6.408 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.959 -4.943 5.937 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.588 -4.633 8.315 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.108 -5.494 7.828 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.704 -6.139 7.374 1.00 0.00 H new ATOM 406 N PHE A 51 4.500 -6.456 5.789 1.00 0.00 N ATOM 407 CA PHE A 51 3.121 -6.740 6.081 1.00 0.00 C ATOM 408 C PHE A 51 3.074 -7.498 7.394 1.00 0.00 C ATOM 409 O PHE A 51 3.996 -8.221 7.772 1.00 0.00 O ATOM 410 CB PHE A 51 2.438 -7.502 4.933 1.00 0.00 C ATOM 411 CG PHE A 51 3.185 -8.732 4.467 1.00 0.00 C ATOM 412 CD1 PHE A 51 4.464 -8.643 3.883 1.00 0.00 C ATOM 413 CD2 PHE A 51 2.624 -9.984 4.727 1.00 0.00 C ATOM 414 CE1 PHE A 51 5.243 -9.797 3.727 1.00 0.00 C ATOM 415 CE2 PHE A 51 3.391 -11.147 4.533 1.00 0.00 C ATOM 416 CZ PHE A 51 4.715 -11.038 4.096 1.00 0.00 C ATOM 0 H PHE A 51 5.124 -7.224 6.036 1.00 0.00 H new ATOM 0 HA PHE A 51 2.558 -5.812 6.179 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.439 -7.798 5.254 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.314 -6.825 4.088 1.00 0.00 H new ATOM 0 HD1 PHE A 51 4.844 -7.686 3.556 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.605 -10.059 5.076 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.243 -9.729 3.325 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.960 -12.119 4.721 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.335 -11.920 4.043 1.00 0.00 H new ATOM 426 N ASN A 52 1.993 -7.252 8.112 1.00 0.00 N ATOM 427 CA ASN A 52 1.859 -7.449 9.540 1.00 0.00 C ATOM 428 C ASN A 52 0.382 -7.698 9.785 1.00 0.00 C ATOM 429 O ASN A 52 -0.450 -7.278 8.978 1.00 0.00 O ATOM 430 CB ASN A 52 2.269 -6.203 10.363 1.00 0.00 C ATOM 431 CG ASN A 52 2.891 -4.999 9.647 1.00 0.00 C ATOM 432 OD1 ASN A 52 3.968 -4.542 10.015 1.00 0.00 O ATOM 433 ND2 ASN A 52 2.249 -4.401 8.653 1.00 0.00 N ATOM 0 H ASN A 52 1.139 -6.889 7.689 1.00 0.00 H new ATOM 0 HA ASN A 52 2.508 -8.268 9.849 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.380 -5.849 10.886 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.976 -6.532 11.124 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.652 -3.576 8.209 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.352 -4.766 8.333 1.00 0.00 H new ATOM 440 N THR A 53 0.038 -8.349 10.886 1.00 0.00 N ATOM 441 CA THR A 53 -1.331 -8.751 11.151 1.00 0.00 C ATOM 442 C THR A 53 -2.227 -7.512 11.338 1.00 0.00 C ATOM 443 O THR A 53 -1.814 -6.520 11.952 1.00 0.00 O ATOM 444 CB THR A 53 -1.311 -9.700 12.363 1.00 0.00 C ATOM 445 OG1 THR A 53 -0.192 -10.574 12.278 1.00 0.00 O ATOM 446 CG2 THR A 53 -2.560 -10.570 12.354 1.00 0.00 C ATOM 0 H THR A 53 0.699 -8.612 11.617 1.00 0.00 H new ATOM 0 HA THR A 53 -1.765 -9.290 10.309 1.00 0.00 H new ATOM 0 HB THR A 53 -1.261 -9.095 13.269 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.185 -11.173 13.053 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.543 -11.241 13.213 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.445 -9.936 12.406 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.588 -11.157 11.436 1.00 0.00 H new ATOM 454 N GLY A 54 -3.444 -7.570 10.798 1.00 0.00 N ATOM 455 CA GLY A 54 -4.445 -6.519 10.800 1.00 0.00 C ATOM 456 C GLY A 54 -5.798 -7.157 10.539 1.00 0.00 C ATOM 457 O GLY A 54 -6.425 -7.662 11.475 1.00 0.00 O ATOM 0 H GLY A 54 -3.772 -8.408 10.318 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.448 -5.998 11.757 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.220 -5.777 10.034 1.00 0.00 H new ATOM 461 N ASP A 55 -6.241 -7.169 9.287 1.00 0.00 N ATOM 462 CA ASP A 55 -7.461 -7.825 8.828 1.00 0.00 C ATOM 463 C ASP A 55 -7.296 -8.135 7.347 1.00 0.00 C ATOM 464 O ASP A 55 -7.011 -7.212 6.582 1.00 0.00 O ATOM 465 CB ASP A 55 -8.666 -6.896 9.003 1.00 0.00 C ATOM 466 CG ASP A 55 -9.873 -7.496 8.284 1.00 0.00 C ATOM 467 OD1 ASP A 55 -10.413 -6.831 7.375 1.00 0.00 O ATOM 468 OD2 ASP A 55 -10.210 -8.673 8.547 1.00 0.00 O ATOM 0 H ASP A 55 -5.739 -6.702 8.532 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.629 -8.733 9.408 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.887 -6.764 10.062 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.441 -5.909 8.599 1.00 0.00 H new ATOM 474 N SER A 56 -7.410 -9.402 6.939 1.00 0.00 N ATOM 475 CA SER A 56 -7.350 -9.835 5.548 1.00 0.00 C ATOM 476 C SER A 56 -7.712 -11.314 5.425 1.00 0.00 C ATOM 477 O SER A 56 -7.760 -12.028 6.429 1.00 0.00 O ATOM 478 CB SER A 56 -5.931 -9.588 5.013 1.00 0.00 C ATOM 479 OG SER A 56 -5.873 -8.286 4.472 1.00 0.00 O ATOM 0 H SER A 56 -7.551 -10.174 7.590 1.00 0.00 H new ATOM 0 HA SER A 56 -8.071 -9.265 4.962 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.200 -9.697 5.814 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.681 -10.326 4.251 1.00 0.00 H new ATOM 0 HG SER A 56 -6.175 -7.639 5.143 1.00 0.00 H new ATOM 485 N GLU A 57 -7.815 -11.796 4.183 1.00 0.00 N ATOM 486 CA GLU A 57 -7.845 -13.218 3.857 1.00 0.00 C ATOM 487 C GLU A 57 -6.655 -13.924 4.521 1.00 0.00 C ATOM 488 O GLU A 57 -6.820 -14.949 5.174 1.00 0.00 O ATOM 489 CB GLU A 57 -7.846 -13.371 2.322 1.00 0.00 C ATOM 490 CG GLU A 57 -7.711 -14.815 1.808 1.00 0.00 C ATOM 491 CD GLU A 57 -8.918 -15.707 2.134 1.00 0.00 C ATOM 492 OE1 GLU A 57 -9.544 -16.258 1.196 1.00 0.00 O ATOM 493 OE2 GLU A 57 -9.226 -15.930 3.325 1.00 0.00 O ATOM 0 H GLU A 57 -7.881 -11.194 3.362 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.749 -13.690 4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.772 -12.948 1.931 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.027 -12.779 1.913 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.569 -14.794 0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.815 -15.261 2.239 1.00 0.00 H new ATOM 501 N GLN A 58 -5.452 -13.351 4.418 1.00 0.00 N ATOM 502 CA GLN A 58 -4.273 -13.882 5.103 1.00 0.00 C ATOM 503 C GLN A 58 -4.052 -13.242 6.484 1.00 0.00 C ATOM 504 O GLN A 58 -2.975 -13.370 7.059 1.00 0.00 O ATOM 505 CB GLN A 58 -3.054 -13.778 4.214 1.00 0.00 C ATOM 506 CG GLN A 58 -3.297 -14.658 2.980 1.00 0.00 C ATOM 507 CD GLN A 58 -3.234 -13.782 1.765 1.00 0.00 C ATOM 508 OE1 GLN A 58 -2.034 -13.426 1.403 1.00 0.00 O flip ATOM 509 NE2 GLN A 58 -4.224 -13.315 1.213 1.00 0.00 N flip ATOM 0 H GLN A 58 -5.270 -12.515 3.863 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.453 -14.939 5.300 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.885 -12.743 3.918 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.162 -14.107 4.748 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.546 -15.446 2.921 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.269 -15.147 3.047 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.157 -13.604 1.508 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.115 -12.637 0.458 1.00 0.00 H new ATOM 518 N GLY A 59 -4.995 -12.437 6.967 1.00 0.00 N ATOM 519 CA GLY A 59 -4.951 -11.707 8.230 1.00 0.00 C ATOM 520 C GLY A 59 -3.971 -10.533 8.221 1.00 0.00 C ATOM 521 O GLY A 59 -4.147 -9.569 8.963 1.00 0.00 O ATOM 0 H GLY A 59 -5.861 -12.267 6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.949 -11.335 8.461 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.674 -12.395 9.029 1.00 0.00 H new ATOM 525 N ILE A 60 -2.961 -10.586 7.358 1.00 0.00 N ATOM 526 CA ILE A 60 -1.875 -9.635 7.232 1.00 0.00 C ATOM 527 C ILE A 60 -2.171 -8.594 6.167 1.00 0.00 C ATOM 528 O ILE A 60 -2.778 -8.895 5.137 1.00 0.00 O ATOM 529 CB ILE A 60 -0.562 -10.375 6.919 1.00 0.00 C ATOM 530 CG1 ILE A 60 -0.676 -11.403 5.756 1.00 0.00 C ATOM 531 CG2 ILE A 60 -0.036 -10.953 8.232 1.00 0.00 C ATOM 532 CD1 ILE A 60 0.456 -12.434 5.677 1.00 0.00 C ATOM 0 H ILE A 60 -2.879 -11.348 6.685 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.769 -9.111 8.182 1.00 0.00 H new ATOM 0 HB ILE A 60 0.171 -9.672 6.522 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.622 -11.934 5.855 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.714 -10.857 4.813 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.897 -11.486 8.047 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.143 -10.144 8.940 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.772 -11.642 8.647 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.281 -13.102 4.834 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.408 -11.920 5.542 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.485 -13.014 6.599 1.00 0.00 H new ATOM 544 N VAL A 61 -1.658 -7.393 6.391 1.00 0.00 N ATOM 545 CA VAL A 61 -1.846 -6.194 5.593 1.00 0.00 C ATOM 546 C VAL A 61 -0.509 -5.455 5.525 1.00 0.00 C ATOM 547 O VAL A 61 0.277 -5.549 6.477 1.00 0.00 O ATOM 548 CB VAL A 61 -2.917 -5.308 6.252 1.00 0.00 C ATOM 549 CG1 VAL A 61 -4.299 -5.929 6.072 1.00 0.00 C ATOM 550 CG2 VAL A 61 -2.643 -5.105 7.748 1.00 0.00 C ATOM 0 H VAL A 61 -1.055 -7.220 7.195 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.178 -6.446 4.586 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.882 -4.335 5.762 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.048 -5.292 6.543 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.520 -6.024 5.009 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.318 -6.915 6.536 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.421 -4.474 8.178 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.640 -6.072 8.252 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.673 -4.625 7.878 1.00 0.00 H new ATOM 560 N PRO A 62 -0.204 -4.736 4.438 1.00 0.00 N ATOM 561 CA PRO A 62 1.083 -4.101 4.295 1.00 0.00 C ATOM 562 C PRO A 62 1.099 -2.753 5.005 1.00 0.00 C ATOM 563 O PRO A 62 0.087 -2.049 5.090 1.00 0.00 O ATOM 564 CB PRO A 62 1.341 -3.985 2.796 1.00 0.00 C ATOM 565 CG PRO A 62 -0.006 -4.294 2.140 1.00 0.00 C ATOM 566 CD PRO A 62 -1.014 -4.448 3.271 1.00 0.00 C ATOM 0 HA PRO A 62 1.879 -4.682 4.761 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.690 -2.987 2.531 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.109 -4.687 2.472 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -0.301 -3.491 1.464 1.00 0.00 H new ATOM 0 HG3 PRO A 62 0.052 -5.206 1.546 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.600 -3.539 3.408 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.719 -5.254 3.068 1.00 0.00 H new ATOM 574 N CYS A 63 2.287 -2.346 5.445 1.00 0.00 N ATOM 575 CA CYS A 63 2.569 -0.936 5.605 1.00 0.00 C ATOM 576 C CYS A 63 2.462 -0.315 4.219 1.00 0.00 C ATOM 577 O CYS A 63 3.138 -0.749 3.288 1.00 0.00 O ATOM 578 CB CYS A 63 3.967 -0.706 6.170 1.00 0.00 C ATOM 579 SG CYS A 63 4.400 1.046 6.328 1.00 0.00 S ATOM 0 H CYS A 63 3.056 -2.969 5.692 1.00 0.00 H new ATOM 0 HA CYS A 63 1.866 -0.487 6.307 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.038 -1.180 7.149 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.697 -1.196 5.525 1.00 0.00 H new ATOM 0 HG CYS A 63 4.902 1.472 5.207 1.00 0.00 H new ATOM 585 N LEU A 64 1.609 0.693 4.075 1.00 0.00 N ATOM 586 CA LEU A 64 1.535 1.580 2.928 1.00 0.00 C ATOM 587 C LEU A 64 1.285 2.950 3.539 1.00 0.00 C ATOM 588 O LEU A 64 0.499 3.045 4.483 1.00 0.00 O ATOM 589 CB LEU A 64 0.380 1.181 1.993 1.00 0.00 C ATOM 590 CG LEU A 64 0.505 -0.212 1.348 1.00 0.00 C ATOM 591 CD1 LEU A 64 -0.800 -0.573 0.638 1.00 0.00 C ATOM 592 CD2 LEU A 64 1.646 -0.282 0.327 1.00 0.00 C ATOM 0 H LEU A 64 0.919 0.922 4.791 1.00 0.00 H new ATOM 0 HA LEU A 64 2.438 1.548 2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.552 1.219 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.303 1.925 1.200 1.00 0.00 H new ATOM 0 HG LEU A 64 0.720 -0.916 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.706 -1.559 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.616 -0.582 1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.009 0.165 -0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.692 -1.284 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.468 0.442 -0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.591 -0.054 0.821 1.00 0.00 H new ATOM 604 N THR A 65 1.954 3.991 3.055 1.00 0.00 N ATOM 605 CA THR A 65 1.941 5.303 3.699 1.00 0.00 C ATOM 606 C THR A 65 1.374 6.350 2.749 1.00 0.00 C ATOM 607 O THR A 65 1.151 6.033 1.584 1.00 0.00 O ATOM 608 CB THR A 65 3.341 5.627 4.232 1.00 0.00 C ATOM 609 OG1 THR A 65 4.288 5.711 3.182 1.00 0.00 O ATOM 610 CG2 THR A 65 3.795 4.555 5.223 1.00 0.00 C ATOM 0 H THR A 65 2.520 3.951 2.207 1.00 0.00 H new ATOM 0 HA THR A 65 1.277 5.302 4.564 1.00 0.00 H new ATOM 0 HB THR A 65 3.282 6.594 4.732 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.775 4.863 3.112 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.791 4.799 5.592 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.098 4.514 6.060 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.821 3.586 4.724 1.00 0.00 H new ATOM 618 N ARG A 66 1.119 7.590 3.182 1.00 0.00 N ATOM 619 CA ARG A 66 0.494 8.578 2.291 1.00 0.00 C ATOM 620 C ARG A 66 1.336 8.781 1.036 1.00 0.00 C ATOM 621 O ARG A 66 0.783 8.786 -0.062 1.00 0.00 O ATOM 622 CB ARG A 66 0.279 9.933 2.995 1.00 0.00 C ATOM 623 CG ARG A 66 -0.502 9.825 4.309 1.00 0.00 C ATOM 624 CD ARG A 66 -1.038 11.186 4.766 1.00 0.00 C ATOM 625 NE ARG A 66 0.012 12.176 5.056 1.00 0.00 N ATOM 626 CZ ARG A 66 -0.188 13.401 5.560 1.00 0.00 C ATOM 627 NH1 ARG A 66 -1.426 13.838 5.783 1.00 0.00 N ATOM 628 NH2 ARG A 66 0.842 14.189 5.848 1.00 0.00 N ATOM 0 H ARG A 66 1.329 7.929 4.121 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.482 8.182 2.012 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.250 10.387 3.195 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -0.253 10.603 2.320 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.333 9.131 4.182 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.144 9.410 5.083 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.695 11.584 3.993 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.646 11.044 5.659 1.00 0.00 H new ATOM 0 HE ARG A 66 0.975 11.906 4.856 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.224 13.240 5.570 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.576 14.771 6.167 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.795 13.863 5.686 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.680 15.120 6.231 1.00 0.00 H new ATOM 642 N ALA A 67 2.655 8.894 1.200 1.00 0.00 N ATOM 643 CA ALA A 67 3.595 8.967 0.091 1.00 0.00 C ATOM 644 C ALA A 67 3.441 7.753 -0.825 1.00 0.00 C ATOM 645 O ALA A 67 3.294 7.908 -2.039 1.00 0.00 O ATOM 646 CB ALA A 67 5.020 9.053 0.636 1.00 0.00 C ATOM 0 H ALA A 67 3.100 8.937 2.117 1.00 0.00 H new ATOM 0 HA ALA A 67 3.384 9.860 -0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.724 9.108 -0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.119 9.944 1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.234 8.168 1.236 1.00 0.00 H new ATOM 652 N GLN A 68 3.485 6.549 -0.253 1.00 0.00 N ATOM 653 CA GLN A 68 3.442 5.306 -1.008 1.00 0.00 C ATOM 654 C GLN A 68 2.130 5.188 -1.776 1.00 0.00 C ATOM 655 O GLN A 68 2.141 4.975 -2.984 1.00 0.00 O ATOM 656 CB GLN A 68 3.660 4.110 -0.059 1.00 0.00 C ATOM 657 CG GLN A 68 4.718 3.147 -0.602 1.00 0.00 C ATOM 658 CD GLN A 68 6.075 3.807 -0.845 1.00 0.00 C ATOM 659 OE1 GLN A 68 6.545 4.661 0.046 1.00 0.00 O flip ATOM 660 NE2 GLN A 68 6.696 3.582 -1.881 1.00 0.00 N flip ATOM 0 H GLN A 68 3.552 6.413 0.756 1.00 0.00 H new ATOM 0 HA GLN A 68 4.246 5.304 -1.744 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.967 4.474 0.922 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.719 3.578 0.079 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.844 2.324 0.101 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.360 2.716 -1.537 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.326 2.921 -2.564 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.582 4.056 -2.058 1.00 0.00 H new ATOM 669 N LEU A 69 1.003 5.365 -1.089 1.00 0.00 N ATOM 670 CA LEU A 69 -0.332 5.254 -1.645 1.00 0.00 C ATOM 671 C LEU A 69 -0.516 6.235 -2.803 1.00 0.00 C ATOM 672 O LEU A 69 -1.078 5.882 -3.839 1.00 0.00 O ATOM 673 CB LEU A 69 -1.383 5.472 -0.548 1.00 0.00 C ATOM 674 CG LEU A 69 -1.442 4.402 0.556 1.00 0.00 C ATOM 675 CD1 LEU A 69 -2.422 4.843 1.647 1.00 0.00 C ATOM 676 CD2 LEU A 69 -1.886 3.055 -0.009 1.00 0.00 C ATOM 0 H LEU A 69 1.001 5.598 -0.096 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.467 4.248 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.195 6.438 -0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.364 5.532 -1.020 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.443 4.289 0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.463 4.084 2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.088 5.788 2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.414 4.972 1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.919 2.317 0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.877 3.155 -0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.179 2.730 -0.772 1.00 0.00 H new ATOM 688 N ALA A 70 -0.016 7.462 -2.662 1.00 0.00 N ATOM 689 CA ALA A 70 -0.028 8.458 -3.724 1.00 0.00 C ATOM 690 C ALA A 70 0.826 8.052 -4.929 1.00 0.00 C ATOM 691 O ALA A 70 0.527 8.454 -6.053 1.00 0.00 O ATOM 692 CB ALA A 70 0.477 9.764 -3.139 1.00 0.00 C ATOM 0 H ALA A 70 0.412 7.792 -1.797 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.047 8.558 -4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.480 10.532 -3.912 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.176 10.073 -2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.490 9.626 -2.761 1.00 0.00 H new ATOM 698 N SER A 71 1.848 7.216 -4.733 1.00 0.00 N ATOM 699 CA SER A 71 2.611 6.623 -5.824 1.00 0.00 C ATOM 700 C SER A 71 1.716 5.712 -6.677 1.00 0.00 C ATOM 701 O SER A 71 1.908 5.640 -7.894 1.00 0.00 O ATOM 702 CB SER A 71 3.826 5.878 -5.247 1.00 0.00 C ATOM 703 OG SER A 71 4.967 6.031 -6.068 1.00 0.00 O ATOM 0 H SER A 71 2.168 6.932 -3.807 1.00 0.00 H new ATOM 0 HA SER A 71 2.980 7.406 -6.487 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.043 6.254 -4.247 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.590 4.819 -5.145 1.00 0.00 H new ATOM 0 HG SER A 71 5.722 5.547 -5.672 1.00 0.00 H new ATOM 709 N MET A 72 0.716 5.062 -6.064 1.00 0.00 N ATOM 710 CA MET A 72 -0.293 4.292 -6.782 1.00 0.00 C ATOM 711 C MET A 72 -1.496 5.148 -7.209 1.00 0.00 C ATOM 712 O MET A 72 -2.324 4.682 -7.989 1.00 0.00 O ATOM 713 CB MET A 72 -0.755 3.073 -5.969 1.00 0.00 C ATOM 714 CG MET A 72 0.369 2.253 -5.320 1.00 0.00 C ATOM 715 SD MET A 72 0.458 2.355 -3.520 1.00 0.00 S ATOM 716 CE MET A 72 2.117 1.705 -3.215 1.00 0.00 C ATOM 0 H MET A 72 0.590 5.060 -5.052 1.00 0.00 H new ATOM 0 HA MET A 72 0.187 3.935 -7.693 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.432 3.415 -5.186 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.330 2.417 -6.623 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.243 1.208 -5.602 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.322 2.583 -5.734 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.351 1.788 -2.154 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.158 0.658 -3.515 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.844 2.276 -3.793 1.00 0.00 H new ATOM 726 N GLY A 73 -1.594 6.389 -6.726 1.00 0.00 N ATOM 727 CA GLY A 73 -2.540 7.391 -7.208 1.00 0.00 C ATOM 728 C GLY A 73 -3.718 7.615 -6.262 1.00 0.00 C ATOM 729 O GLY A 73 -4.804 7.966 -6.720 1.00 0.00 O ATOM 0 H GLY A 73 -1.001 6.731 -5.970 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.015 8.335 -7.354 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.919 7.083 -8.183 1.00 0.00 H new ATOM 733 N LEU A 74 -3.553 7.357 -4.964 1.00 0.00 N ATOM 734 CA LEU A 74 -4.595 7.443 -3.941 1.00 0.00 C ATOM 735 C LEU A 74 -4.697 8.841 -3.334 1.00 0.00 C ATOM 736 O LEU A 74 -3.707 9.443 -2.917 1.00 0.00 O ATOM 737 CB LEU A 74 -4.227 6.421 -2.878 1.00 0.00 C ATOM 738 CG LEU A 74 -5.045 6.329 -1.582 1.00 0.00 C ATOM 739 CD1 LEU A 74 -4.543 7.270 -0.490 1.00 0.00 C ATOM 740 CD2 LEU A 74 -6.556 6.463 -1.635 1.00 0.00 C ATOM 0 H LEU A 74 -2.652 7.071 -4.581 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.573 7.240 -4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.256 5.439 -3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.191 6.608 -2.594 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.861 5.278 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.162 7.158 0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.509 7.026 -0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.599 8.300 -0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.965 6.372 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.821 7.436 -2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.969 5.676 -2.267 1.00 0.00 H new ATOM 752 N ASN A 75 -5.931 9.331 -3.206 1.00 0.00 N ATOM 753 CA ASN A 75 -6.257 10.666 -2.737 1.00 0.00 C ATOM 754 C ASN A 75 -6.181 10.736 -1.211 1.00 0.00 C ATOM 755 O ASN A 75 -7.183 10.586 -0.514 1.00 0.00 O ATOM 756 CB ASN A 75 -7.667 11.063 -3.224 1.00 0.00 C ATOM 757 CG ASN A 75 -8.010 12.538 -3.084 1.00 0.00 C ATOM 758 OD1 ASN A 75 -9.102 12.960 -3.431 1.00 0.00 O ATOM 759 ND2 ASN A 75 -7.093 13.408 -2.700 1.00 0.00 N ATOM 0 H ASN A 75 -6.759 8.782 -3.437 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.530 11.367 -3.146 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.764 10.782 -4.273 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.403 10.481 -2.669 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.305 14.406 -2.698 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.173 13.082 -2.405 1.00 0.00 H new ATOM 766 N THR A 76 -5.001 11.041 -0.672 1.00 0.00 N ATOM 767 CA THR A 76 -4.781 11.193 0.775 1.00 0.00 C ATOM 768 C THR A 76 -5.511 12.395 1.370 1.00 0.00 C ATOM 769 O THR A 76 -5.469 12.570 2.590 1.00 0.00 O ATOM 770 CB THR A 76 -3.268 11.205 1.106 1.00 0.00 C ATOM 771 OG1 THR A 76 -2.760 12.522 1.096 1.00 0.00 O ATOM 772 CG2 THR A 76 -2.414 10.396 0.132 1.00 0.00 C ATOM 0 H THR A 76 -4.160 11.192 -1.229 1.00 0.00 H new ATOM 0 HA THR A 76 -5.222 10.319 1.255 1.00 0.00 H new ATOM 0 HB THR A 76 -3.201 10.750 2.094 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.783 12.496 1.166 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.367 10.454 0.431 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.738 9.355 0.142 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.527 10.801 -0.874 1.00 0.00 H new ATOM 780 N ALA A 77 -6.194 13.187 0.537 1.00 0.00 N ATOM 781 CA ALA A 77 -7.063 14.286 0.903 1.00 0.00 C ATOM 782 C ALA A 77 -8.535 13.956 0.586 1.00 0.00 C ATOM 783 O ALA A 77 -9.347 14.872 0.487 1.00 0.00 O ATOM 784 CB ALA A 77 -6.574 15.581 0.239 1.00 0.00 C ATOM 0 H ALA A 77 -6.144 13.061 -0.474 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.019 14.443 1.981 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.232 16.404 0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.559 15.799 0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.583 15.460 -0.844 1.00 0.00 H new ATOM 790 N SER A 78 -8.890 12.676 0.399 1.00 0.00 N ATOM 791 CA SER A 78 -10.271 12.204 0.474 1.00 0.00 C ATOM 792 C SER A 78 -10.473 11.282 1.690 1.00 0.00 C ATOM 793 O SER A 78 -11.442 11.443 2.434 1.00 0.00 O ATOM 794 CB SER A 78 -10.703 11.555 -0.848 1.00 0.00 C ATOM 795 OG SER A 78 -12.056 11.170 -0.807 1.00 0.00 O ATOM 0 H SER A 78 -8.218 11.938 0.190 1.00 0.00 H new ATOM 0 HA SER A 78 -10.925 13.063 0.625 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.546 12.255 -1.668 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.080 10.684 -1.049 1.00 0.00 H new ATOM 0 HG SER A 78 -12.119 10.219 -0.581 1.00 0.00 H new ATOM 801 N VAL A 79 -9.513 10.395 1.984 1.00 0.00 N ATOM 802 CA VAL A 79 -9.720 9.249 2.865 1.00 0.00 C ATOM 803 C VAL A 79 -9.707 9.793 4.289 1.00 0.00 C ATOM 804 O VAL A 79 -8.706 10.375 4.723 1.00 0.00 O ATOM 805 CB VAL A 79 -8.578 8.224 2.672 1.00 0.00 C ATOM 806 CG1 VAL A 79 -8.716 7.054 3.617 1.00 0.00 C ATOM 807 CG2 VAL A 79 -8.475 7.707 1.233 1.00 0.00 C ATOM 0 H VAL A 79 -8.565 10.457 1.612 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.660 8.742 2.647 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.659 8.765 2.899 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.896 6.355 3.452 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.686 7.412 4.646 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.665 6.550 3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.656 6.992 1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.409 7.219 0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.287 8.543 0.559 1.00 0.00 H new ATOM 817 N ALA A 80 -10.854 9.728 4.966 1.00 0.00 N ATOM 818 CA ALA A 80 -11.056 10.493 6.182 1.00 0.00 C ATOM 819 C ALA A 80 -10.132 10.014 7.297 1.00 0.00 C ATOM 820 O ALA A 80 -10.036 8.824 7.603 1.00 0.00 O ATOM 821 CB ALA A 80 -12.519 10.466 6.593 1.00 0.00 C ATOM 0 H ALA A 80 -11.650 9.154 4.689 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.793 11.532 5.985 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.651 11.045 7.507 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -13.128 10.898 5.799 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.829 9.436 6.768 1.00 0.00 H new ATOM 827 N GLY A 81 -9.403 10.961 7.878 1.00 0.00 N ATOM 828 CA GLY A 81 -8.323 10.697 8.805 1.00 0.00 C ATOM 829 C GLY A 81 -6.964 10.816 8.140 1.00 0.00 C ATOM 830 O GLY A 81 -6.017 11.232 8.794 1.00 0.00 O ATOM 0 H GLY A 81 -9.555 11.955 7.709 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.381 11.396 9.639 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.438 9.696 9.220 1.00 0.00 H new ATOM 834 N MET A 82 -6.831 10.509 6.848 1.00 0.00 N ATOM 835 CA MET A 82 -5.532 10.469 6.193 1.00 0.00 C ATOM 836 C MET A 82 -4.920 11.870 6.081 1.00 0.00 C ATOM 837 O MET A 82 -3.703 12.028 6.029 1.00 0.00 O ATOM 838 CB MET A 82 -5.681 9.787 4.833 1.00 0.00 C ATOM 839 CG MET A 82 -4.330 9.291 4.328 1.00 0.00 C ATOM 840 SD MET A 82 -4.373 8.354 2.781 1.00 0.00 S ATOM 841 CE MET A 82 -5.062 6.760 3.295 1.00 0.00 C ATOM 0 H MET A 82 -7.615 10.284 6.236 1.00 0.00 H new ATOM 0 HA MET A 82 -4.836 9.886 6.797 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.374 8.950 4.914 1.00 0.00 H new ATOM 0 HB3 MET A 82 -6.109 10.486 4.115 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.674 10.151 4.193 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.881 8.665 5.099 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.677 6.354 2.492 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.250 6.067 3.516 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.674 6.898 4.187 1.00 0.00 H new ATOM 851 N ASN A 83 -5.754 12.907 6.101 1.00 0.00 N ATOM 852 CA ASN A 83 -5.326 14.300 6.192 1.00 0.00 C ATOM 853 C ASN A 83 -4.861 14.716 7.590 1.00 0.00 C ATOM 854 O ASN A 83 -4.337 15.822 7.740 1.00 0.00 O ATOM 855 CB ASN A 83 -6.415 15.238 5.633 1.00 0.00 C ATOM 856 CG ASN A 83 -7.810 14.889 6.132 1.00 0.00 C ATOM 857 OD1 ASN A 83 -8.203 15.196 7.246 1.00 0.00 O ATOM 858 ND2 ASN A 83 -8.571 14.135 5.362 1.00 0.00 N ATOM 0 H ASN A 83 -6.767 12.800 6.053 1.00 0.00 H new ATOM 0 HA ASN A 83 -4.437 14.395 5.568 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.181 16.265 5.912 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.402 15.193 4.544 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.479 13.814 5.699 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.252 13.873 4.429 1.00 0.00 H new ATOM 865 N LEU A 84 -4.963 13.829 8.583 1.00 0.00 N ATOM 866 CA LEU A 84 -4.567 14.058 9.973 1.00 0.00 C ATOM 867 C LEU A 84 -3.300 13.264 10.335 1.00 0.00 C ATOM 868 O LEU A 84 -2.840 13.333 11.478 1.00 0.00 O ATOM 869 CB LEU A 84 -5.714 13.665 10.932 1.00 0.00 C ATOM 870 CG LEU A 84 -7.151 14.023 10.503 1.00 0.00 C ATOM 871 CD1 LEU A 84 -8.133 13.586 11.595 1.00 0.00 C ATOM 872 CD2 LEU A 84 -7.355 15.510 10.221 1.00 0.00 C ATOM 0 H LEU A 84 -5.340 12.893 8.433 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.350 15.121 10.081 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.668 12.587 11.089 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.523 14.136 11.896 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.334 13.494 9.568 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.149 13.839 11.293 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.056 12.509 11.744 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.893 14.099 12.526 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -8.389 15.686 9.925 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.132 16.085 11.120 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.689 15.822 9.417 1.00 0.00 H new ATOM 884 N LEU A 85 -2.768 12.461 9.406 1.00 0.00 N ATOM 885 CA LEU A 85 -1.626 11.576 9.628 1.00 0.00 C ATOM 886 C LEU A 85 -0.318 12.283 9.255 1.00 0.00 C ATOM 887 O LEU A 85 -0.348 13.359 8.654 1.00 0.00 O ATOM 888 CB LEU A 85 -1.789 10.312 8.767 1.00 0.00 C ATOM 889 CG LEU A 85 -2.909 9.305 9.124 1.00 0.00 C ATOM 890 CD1 LEU A 85 -2.325 7.900 9.258 1.00 0.00 C ATOM 891 CD2 LEU A 85 -3.722 9.615 10.381 1.00 0.00 C ATOM 0 H LEU A 85 -3.132 12.410 8.455 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.588 11.305 10.683 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.949 10.632 7.738 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.842 9.773 8.789 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.611 9.386 8.294 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.120 7.198 9.509 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.866 7.605 8.314 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.572 7.893 10.046 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.475 8.841 10.528 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.059 9.644 11.245 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.213 10.582 10.268 1.00 0.00 H new ATOM 903 N ALA A 86 0.819 11.652 9.565 1.00 0.00 N ATOM 904 CA ALA A 86 2.119 12.026 9.011 1.00 0.00 C ATOM 905 C ALA A 86 2.270 11.525 7.568 1.00 0.00 C ATOM 906 O ALA A 86 1.468 10.735 7.069 1.00 0.00 O ATOM 907 CB ALA A 86 3.256 11.468 9.876 1.00 0.00 C ATOM 0 H ALA A 86 0.861 10.864 10.211 1.00 0.00 H new ATOM 0 HA ALA A 86 2.176 13.114 9.008 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.215 11.757 9.447 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.175 11.869 10.886 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.187 10.381 9.910 1.00 0.00 H new ATOM 913 N ASP A 87 3.328 11.970 6.895 1.00 0.00 N ATOM 914 CA ASP A 87 3.609 11.687 5.485 1.00 0.00 C ATOM 915 C ASP A 87 3.877 10.200 5.282 1.00 0.00 C ATOM 916 O ASP A 87 3.379 9.593 4.328 1.00 0.00 O ATOM 917 CB ASP A 87 4.822 12.491 4.980 1.00 0.00 C ATOM 918 CG ASP A 87 4.647 14.008 4.982 1.00 0.00 C ATOM 919 OD1 ASP A 87 5.601 14.730 4.612 1.00 0.00 O ATOM 920 OD2 ASP A 87 3.564 14.490 5.383 1.00 0.00 O ATOM 0 H ASP A 87 4.040 12.558 7.329 1.00 0.00 H new ATOM 0 HA ASP A 87 2.730 11.984 4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.685 12.241 5.597 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.052 12.170 3.964 1.00 0.00 H new ATOM 926 N ASP A 88 4.643 9.606 6.196 1.00 0.00 N ATOM 927 CA ASP A 88 5.083 8.219 6.152 1.00 0.00 C ATOM 928 C ASP A 88 4.346 7.385 7.181 1.00 0.00 C ATOM 929 O ASP A 88 4.848 6.375 7.673 1.00 0.00 O ATOM 930 CB ASP A 88 6.571 8.206 6.502 1.00 0.00 C ATOM 931 CG ASP A 88 6.900 8.505 7.972 1.00 0.00 C ATOM 932 OD1 ASP A 88 6.150 9.290 8.594 1.00 0.00 O ATOM 933 OD2 ASP A 88 7.975 8.034 8.421 1.00 0.00 O ATOM 0 H ASP A 88 4.986 10.101 7.019 1.00 0.00 H new ATOM 0 HA ASP A 88 4.888 7.804 5.163 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.979 7.228 6.247 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.081 8.938 5.876 1.00 0.00 H new ATOM 939 N ALA A 89 3.073 7.703 7.379 1.00 0.00 N ATOM 940 CA ALA A 89 2.326 7.055 8.424 1.00 0.00 C ATOM 941 C ALA A 89 1.685 5.797 7.854 1.00 0.00 C ATOM 942 O ALA A 89 1.083 5.882 6.784 1.00 0.00 O ATOM 943 CB ALA A 89 1.256 8.015 8.917 1.00 0.00 C ATOM 0 H ALA A 89 2.553 8.393 6.836 1.00 0.00 H new ATOM 0 HA ALA A 89 2.975 6.781 9.256 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.679 7.540 9.711 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.728 8.919 9.302 1.00 0.00 H new ATOM 0 HB3 ALA A 89 0.593 8.275 8.092 1.00 0.00 H new ATOM 949 N CYS A 90 1.787 4.651 8.531 1.00 0.00 N ATOM 950 CA CYS A 90 1.144 3.409 8.101 1.00 0.00 C ATOM 951 C CYS A 90 -0.371 3.619 8.023 1.00 0.00 C ATOM 952 O CYS A 90 -0.991 3.872 9.059 1.00 0.00 O ATOM 953 CB CYS A 90 1.449 2.298 9.110 1.00 0.00 C ATOM 954 SG CYS A 90 3.197 1.908 9.332 1.00 0.00 S ATOM 0 H CYS A 90 2.320 4.559 9.396 1.00 0.00 H new ATOM 0 HA CYS A 90 1.525 3.126 7.120 1.00 0.00 H new ATOM 0 HB2 CYS A 90 1.033 2.584 10.076 1.00 0.00 H new ATOM 0 HB3 CYS A 90 0.930 1.393 8.795 1.00 0.00 H new ATOM 0 HG CYS A 90 3.667 1.384 8.239 1.00 0.00 H new ATOM 960 N VAL A 91 -0.989 3.501 6.848 1.00 0.00 N ATOM 961 CA VAL A 91 -2.427 3.691 6.687 1.00 0.00 C ATOM 962 C VAL A 91 -3.086 2.351 6.327 1.00 0.00 C ATOM 963 O VAL A 91 -2.573 1.637 5.460 1.00 0.00 O ATOM 964 CB VAL A 91 -2.762 4.811 5.672 1.00 0.00 C ATOM 965 CG1 VAL A 91 -3.929 5.622 6.238 1.00 0.00 C ATOM 966 CG2 VAL A 91 -1.652 5.826 5.364 1.00 0.00 C ATOM 0 H VAL A 91 -0.504 3.271 5.981 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.841 4.031 7.636 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.961 4.282 4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.188 6.421 5.543 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.791 4.970 6.379 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.641 6.054 7.196 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.016 6.555 4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.363 6.339 6.281 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.788 5.306 4.952 1.00 0.00 H new ATOM 976 N PRO A 92 -4.202 1.982 6.983 1.00 0.00 N ATOM 977 CA PRO A 92 -4.895 0.737 6.706 1.00 0.00 C ATOM 978 C PRO A 92 -5.727 0.814 5.454 1.00 0.00 C ATOM 979 O PRO A 92 -6.710 1.569 5.398 1.00 0.00 O ATOM 980 CB PRO A 92 -5.800 0.485 7.866 1.00 0.00 C ATOM 981 CG PRO A 92 -6.114 1.874 8.415 1.00 0.00 C ATOM 982 CD PRO A 92 -4.849 2.669 8.095 1.00 0.00 C ATOM 0 HA PRO A 92 -4.163 -0.057 6.560 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.707 -0.034 7.556 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.317 -0.139 8.618 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.993 2.307 7.938 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.313 1.848 9.486 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.094 3.697 7.827 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.189 2.714 8.961 1.00 0.00 H new ATOM 990 N LEU A 93 -5.337 0.026 4.459 1.00 0.00 N ATOM 991 CA LEU A 93 -5.934 0.214 3.168 1.00 0.00 C ATOM 992 C LEU A 93 -7.349 -0.349 3.050 1.00 0.00 C ATOM 993 O LEU A 93 -8.058 0.031 2.131 1.00 0.00 O ATOM 994 CB LEU A 93 -5.019 -0.280 2.050 1.00 0.00 C ATOM 995 CG LEU A 93 -5.349 0.380 0.696 1.00 0.00 C ATOM 996 CD1 LEU A 93 -5.207 1.908 0.755 1.00 0.00 C ATOM 997 CD2 LEU A 93 -4.389 -0.156 -0.350 1.00 0.00 C ATOM 0 H LEU A 93 -4.640 -0.715 4.526 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.050 1.291 3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.982 -0.070 2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.112 -1.362 1.958 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.383 0.145 0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.448 2.334 -0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.889 2.308 1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.182 2.168 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.609 0.301 -1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.365 0.082 -0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.502 -1.237 -0.427 1.00 0.00 H new ATOM 1009 N THR A 94 -7.784 -1.195 3.983 1.00 0.00 N ATOM 1010 CA THR A 94 -9.142 -1.739 4.001 1.00 0.00 C ATOM 1011 C THR A 94 -9.967 -1.098 5.130 1.00 0.00 C ATOM 1012 O THR A 94 -11.057 -1.571 5.448 1.00 0.00 O ATOM 1013 CB THR A 94 -9.033 -3.283 3.991 1.00 0.00 C ATOM 1014 OG1 THR A 94 -10.105 -3.931 3.331 1.00 0.00 O ATOM 1015 CG2 THR A 94 -8.817 -3.924 5.367 1.00 0.00 C ATOM 0 H THR A 94 -7.201 -1.524 4.752 1.00 0.00 H new ATOM 0 HA THR A 94 -9.717 -1.479 3.112 1.00 0.00 H new ATOM 0 HB THR A 94 -8.124 -3.444 3.412 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.355 -3.420 2.533 1.00 0.00 H new ATOM 0 HG21 THR A 94 -8.753 -5.007 5.258 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.891 -3.548 5.802 1.00 0.00 H new ATOM 0 HG23 THR A 94 -9.653 -3.674 6.020 1.00 0.00 H new ATOM 1023 N THR A 95 -9.464 -0.031 5.771 1.00 0.00 N ATOM 1024 CA THR A 95 -10.063 0.463 7.013 1.00 0.00 C ATOM 1025 C THR A 95 -10.216 1.980 7.049 1.00 0.00 C ATOM 1026 O THR A 95 -11.224 2.453 7.567 1.00 0.00 O ATOM 1027 CB THR A 95 -9.260 -0.054 8.211 1.00 0.00 C ATOM 1028 OG1 THR A 95 -8.830 -1.391 8.004 1.00 0.00 O ATOM 1029 CG2 THR A 95 -10.003 -0.015 9.536 1.00 0.00 C ATOM 0 H THR A 95 -8.653 0.499 5.451 1.00 0.00 H new ATOM 0 HA THR A 95 -11.079 0.073 7.065 1.00 0.00 H new ATOM 0 HB THR A 95 -8.417 0.633 8.277 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.319 -1.695 8.783 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.358 -0.399 10.326 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.285 1.013 9.765 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.900 -0.631 9.468 1.00 0.00 H new ATOM 1037 N MET A 96 -9.257 2.766 6.537 1.00 0.00 N ATOM 1038 CA MET A 96 -9.444 4.216 6.563 1.00 0.00 C ATOM 1039 C MET A 96 -10.480 4.637 5.514 1.00 0.00 C ATOM 1040 O MET A 96 -11.279 5.552 5.710 1.00 0.00 O ATOM 1041 CB MET A 96 -8.139 4.977 6.294 1.00 0.00 C ATOM 1042 CG MET A 96 -8.293 6.327 6.978 1.00 0.00 C ATOM 1043 SD MET A 96 -6.806 7.332 7.020 1.00 0.00 S ATOM 1044 CE MET A 96 -6.137 6.729 8.574 1.00 0.00 C ATOM 0 H MET A 96 -8.386 2.439 6.120 1.00 0.00 H new ATOM 0 HA MET A 96 -9.790 4.469 7.565 1.00 0.00 H new ATOM 0 HB2 MET A 96 -7.281 4.434 6.691 1.00 0.00 H new ATOM 0 HB3 MET A 96 -7.972 5.099 5.224 1.00 0.00 H new ATOM 0 HG2 MET A 96 -9.078 6.887 6.470 1.00 0.00 H new ATOM 0 HG3 MET A 96 -8.631 6.162 8.001 1.00 0.00 H new ATOM 0 HE1 MET A 96 -5.320 7.376 8.894 1.00 0.00 H new ATOM 0 HE2 MET A 96 -6.920 6.731 9.332 1.00 0.00 H new ATOM 0 HE3 MET A 96 -5.764 5.713 8.440 1.00 0.00 H new ATOM 1054 N VAL A 97 -10.381 3.986 4.367 1.00 0.00 N ATOM 1055 CA VAL A 97 -11.111 4.164 3.125 1.00 0.00 C ATOM 1056 C VAL A 97 -12.285 3.179 3.124 1.00 0.00 C ATOM 1057 O VAL A 97 -12.507 2.460 4.104 1.00 0.00 O ATOM 1058 CB VAL A 97 -10.076 4.061 1.970 1.00 0.00 C ATOM 1059 CG1 VAL A 97 -9.066 2.934 2.215 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -10.668 3.979 0.558 1.00 0.00 C ATOM 0 H VAL A 97 -9.704 3.228 4.275 1.00 0.00 H new ATOM 0 HA VAL A 97 -11.583 5.138 2.994 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.555 5.018 1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.359 2.893 1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.527 3.124 3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.593 1.983 2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -9.861 3.910 -0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -11.303 3.097 0.480 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -11.261 4.872 0.360 1.00 0.00 H new ATOM 1070 N GLN A 98 -13.072 3.215 2.057 1.00 0.00 N ATOM 1071 CA GLN A 98 -14.175 2.339 1.745 1.00 0.00 C ATOM 1072 C GLN A 98 -13.845 1.660 0.422 1.00 0.00 C ATOM 1073 O GLN A 98 -13.362 2.333 -0.491 1.00 0.00 O ATOM 1074 CB GLN A 98 -15.430 3.218 1.642 1.00 0.00 C ATOM 1075 CG GLN A 98 -16.622 2.559 0.937 1.00 0.00 C ATOM 1076 CD GLN A 98 -16.889 2.998 -0.513 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -18.034 3.155 -0.917 1.00 0.00 O ATOM 1078 NE2 GLN A 98 -15.901 3.228 -1.362 1.00 0.00 N ATOM 0 H GLN A 98 -12.937 3.920 1.332 1.00 0.00 H new ATOM 0 HA GLN A 98 -14.347 1.570 2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -15.736 3.509 2.647 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -15.172 4.134 1.110 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -16.469 1.480 0.944 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -17.518 2.758 1.524 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -14.933 3.108 -1.063 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -16.107 3.525 -2.316 1.00 0.00 H new ATOM 1087 N ASP A 99 -14.183 0.375 0.285 1.00 0.00 N ATOM 1088 CA ASP A 99 -14.105 -0.445 -0.940 1.00 0.00 C ATOM 1089 C ASP A 99 -12.675 -0.677 -1.445 1.00 0.00 C ATOM 1090 O ASP A 99 -12.458 -1.449 -2.383 1.00 0.00 O ATOM 1091 CB ASP A 99 -14.947 0.192 -2.050 1.00 0.00 C ATOM 1092 CG ASP A 99 -15.442 -0.729 -3.156 1.00 0.00 C ATOM 1093 OD1 ASP A 99 -16.091 -0.173 -4.077 1.00 0.00 O ATOM 1094 OD2 ASP A 99 -15.323 -1.970 -3.063 1.00 0.00 O ATOM 0 H ASP A 99 -14.543 -0.161 1.075 1.00 0.00 H new ATOM 0 HA ASP A 99 -14.499 -1.425 -0.672 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -15.814 0.664 -1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -14.358 0.986 -2.509 1.00 0.00 H new ATOM 1100 N ALA A 100 -11.683 -0.013 -0.843 1.00 0.00 N ATOM 1101 CA ALA A 100 -10.296 -0.341 -1.074 1.00 0.00 C ATOM 1102 C ALA A 100 -9.894 -1.520 -0.209 1.00 0.00 C ATOM 1103 O ALA A 100 -10.491 -1.756 0.845 1.00 0.00 O ATOM 1104 CB ALA A 100 -9.422 0.863 -0.751 1.00 0.00 C ATOM 0 H ALA A 100 -11.829 0.757 -0.191 1.00 0.00 H new ATOM 0 HA ALA A 100 -10.161 -0.608 -2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -8.376 0.611 -0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.706 1.700 -1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.558 1.141 0.294 1.00 0.00 H new ATOM 1110 N THR A 101 -8.894 -2.260 -0.672 1.00 0.00 N ATOM 1111 CA THR A 101 -8.500 -3.513 -0.061 1.00 0.00 C ATOM 1112 C THR A 101 -7.012 -3.738 -0.291 1.00 0.00 C ATOM 1113 O THR A 101 -6.358 -3.009 -1.050 1.00 0.00 O ATOM 1114 CB THR A 101 -9.345 -4.671 -0.637 1.00 0.00 C ATOM 1115 OG1 THR A 101 -9.020 -4.918 -1.984 1.00 0.00 O ATOM 1116 CG2 THR A 101 -10.863 -4.456 -0.593 1.00 0.00 C ATOM 0 H THR A 101 -8.335 -2.003 -1.485 1.00 0.00 H new ATOM 0 HA THR A 101 -8.680 -3.476 1.013 1.00 0.00 H new ATOM 0 HB THR A 101 -9.097 -5.509 0.015 1.00 0.00 H new ATOM 0 HG1 THR A 101 -9.568 -5.656 -2.323 1.00 0.00 H new ATOM 0 HG21 THR A 101 -11.366 -5.324 -1.020 1.00 0.00 H new ATOM 0 HG22 THR A 101 -11.182 -4.324 0.441 1.00 0.00 H new ATOM 0 HG23 THR A 101 -11.121 -3.567 -1.169 1.00 0.00 H new ATOM 1124 N ALA A 102 -6.475 -4.773 0.355 1.00 0.00 N ATOM 1125 CA ALA A 102 -5.124 -5.239 0.148 1.00 0.00 C ATOM 1126 C ALA A 102 -5.101 -6.753 0.270 1.00 0.00 C ATOM 1127 O ALA A 102 -5.781 -7.326 1.123 1.00 0.00 O ATOM 1128 CB ALA A 102 -4.204 -4.592 1.179 1.00 0.00 C ATOM 0 H ALA A 102 -6.987 -5.316 1.050 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.773 -4.963 -0.846 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.183 -4.942 1.026 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.237 -3.508 1.067 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.534 -4.863 2.182 1.00 0.00 H new ATOM 1134 N HIS A 103 -4.305 -7.394 -0.569 1.00 0.00 N ATOM 1135 CA HIS A 103 -4.078 -8.829 -0.652 1.00 0.00 C ATOM 1136 C HIS A 103 -2.618 -9.042 -1.064 1.00 0.00 C ATOM 1137 O HIS A 103 -1.999 -8.189 -1.697 1.00 0.00 O ATOM 1138 CB HIS A 103 -5.075 -9.433 -1.659 1.00 0.00 C ATOM 1139 CG HIS A 103 -4.770 -10.843 -2.104 1.00 0.00 C ATOM 1140 ND1 HIS A 103 -4.670 -11.965 -1.306 1.00 0.00 N ATOM 1141 CD2 HIS A 103 -4.515 -11.230 -3.395 1.00 0.00 C ATOM 1142 CE1 HIS A 103 -4.335 -12.992 -2.101 1.00 0.00 C ATOM 1143 NE2 HIS A 103 -4.242 -12.602 -3.384 1.00 0.00 N ATOM 0 H HIS A 103 -3.758 -6.886 -1.264 1.00 0.00 H new ATOM 0 HA HIS A 103 -4.243 -9.330 0.302 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -6.070 -9.418 -1.214 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -5.110 -8.791 -2.540 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.523 -10.590 -4.265 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -4.163 -14.001 -1.755 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -4.018 -13.188 -4.188 1.00 0.00 H new ATOM 1152 N LEU A 104 -2.064 -10.206 -0.739 1.00 0.00 N ATOM 1153 CA LEU A 104 -0.710 -10.610 -1.084 1.00 0.00 C ATOM 1154 C LEU A 104 -0.842 -11.934 -1.840 1.00 0.00 C ATOM 1155 O LEU A 104 -1.406 -12.894 -1.308 1.00 0.00 O ATOM 1156 CB LEU A 104 0.183 -10.633 0.185 1.00 0.00 C ATOM 1157 CG LEU A 104 1.007 -11.917 0.398 1.00 0.00 C ATOM 1158 CD1 LEU A 104 2.214 -11.927 -0.515 1.00 0.00 C ATOM 1159 CD2 LEU A 104 1.575 -12.043 1.796 1.00 0.00 C ATOM 0 H LEU A 104 -2.566 -10.918 -0.209 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.195 -9.907 -1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.868 -9.787 0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.453 -10.482 1.057 1.00 0.00 H new ATOM 0 HG LEU A 104 0.309 -12.731 0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.786 -12.841 -0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.885 -11.885 -1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.842 -11.063 -0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.143 -12.970 1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.231 -11.196 2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.760 -12.054 2.520 1.00 0.00 H new ATOM 1171 N ASP A 105 -0.345 -11.975 -3.072 1.00 0.00 N ATOM 1172 CA ASP A 105 -0.065 -13.215 -3.793 1.00 0.00 C ATOM 1173 C ASP A 105 1.273 -13.683 -3.246 1.00 0.00 C ATOM 1174 O ASP A 105 2.306 -13.120 -3.614 1.00 0.00 O ATOM 1175 CB ASP A 105 0.103 -12.968 -5.301 1.00 0.00 C ATOM 1176 CG ASP A 105 -1.125 -13.197 -6.170 1.00 0.00 C ATOM 1177 OD1 ASP A 105 -1.797 -14.240 -6.012 1.00 0.00 O ATOM 1178 OD2 ASP A 105 -1.362 -12.355 -7.063 1.00 0.00 O ATOM 0 H ASP A 105 -0.122 -11.136 -3.607 1.00 0.00 H new ATOM 0 HA ASP A 105 -0.878 -13.929 -3.663 1.00 0.00 H new ATOM 0 HB2 ASP A 105 0.434 -11.939 -5.443 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.903 -13.613 -5.665 1.00 0.00 H new ATOM 1184 N VAL A 106 1.300 -14.650 -2.336 1.00 0.00 N ATOM 1185 CA VAL A 106 2.575 -15.186 -1.868 1.00 0.00 C ATOM 1186 C VAL A 106 3.103 -16.167 -2.912 1.00 0.00 C ATOM 1187 O VAL A 106 4.293 -16.130 -3.228 1.00 0.00 O ATOM 1188 CB VAL A 106 2.390 -15.760 -0.448 1.00 0.00 C ATOM 1189 CG1 VAL A 106 2.029 -17.230 -0.446 1.00 0.00 C ATOM 1190 CG2 VAL A 106 3.628 -15.597 0.434 1.00 0.00 C ATOM 0 H VAL A 106 0.473 -15.072 -1.914 1.00 0.00 H new ATOM 0 HA VAL A 106 3.342 -14.418 -1.769 1.00 0.00 H new ATOM 0 HB VAL A 106 1.567 -15.173 -0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.913 -17.575 0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.093 -17.376 -0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.821 -17.800 -0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 106 3.432 -16.021 1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.471 -16.115 -0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.865 -14.538 0.536 1.00 0.00 H new ATOM 1200 N GLY A 107 2.215 -16.963 -3.523 1.00 0.00 N ATOM 1201 CA GLY A 107 2.584 -18.012 -4.454 1.00 0.00 C ATOM 1202 C GLY A 107 3.027 -17.443 -5.799 1.00 0.00 C ATOM 1203 O GLY A 107 3.708 -18.136 -6.555 1.00 0.00 O ATOM 0 H GLY A 107 1.209 -16.887 -3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.390 -18.609 -4.028 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.736 -18.681 -4.603 1.00 0.00 H new ATOM 1207 N GLN A 108 2.686 -16.180 -6.081 1.00 0.00 N ATOM 1208 CA GLN A 108 3.123 -15.433 -7.255 1.00 0.00 C ATOM 1209 C GLN A 108 3.924 -14.187 -6.888 1.00 0.00 C ATOM 1210 O GLN A 108 4.341 -13.465 -7.782 1.00 0.00 O ATOM 1211 CB GLN A 108 1.934 -15.161 -8.188 1.00 0.00 C ATOM 1212 CG GLN A 108 1.508 -16.447 -8.910 1.00 0.00 C ATOM 1213 CD GLN A 108 1.852 -16.414 -10.395 1.00 0.00 C ATOM 1214 OE1 GLN A 108 1.055 -15.975 -11.213 1.00 0.00 O ATOM 1215 NE2 GLN A 108 3.017 -16.906 -10.788 1.00 0.00 N ATOM 0 H GLN A 108 2.076 -15.635 -5.472 1.00 0.00 H new ATOM 0 HA GLN A 108 3.826 -16.049 -7.816 1.00 0.00 H new ATOM 0 HB2 GLN A 108 1.097 -14.766 -7.613 1.00 0.00 H new ATOM 0 HB3 GLN A 108 2.206 -14.400 -8.919 1.00 0.00 H new ATOM 0 HG2 GLN A 108 1.997 -17.302 -8.444 1.00 0.00 H new ATOM 0 HG3 GLN A 108 0.434 -16.590 -8.791 1.00 0.00 H new ATOM 0 HE21 GLN A 108 3.675 -17.270 -10.099 1.00 0.00 H new ATOM 0 HE22 GLN A 108 3.256 -16.921 -11.780 1.00 0.00 H new ATOM 1224 N GLN A 109 4.257 -14.000 -5.607 1.00 0.00 N ATOM 1225 CA GLN A 109 5.059 -12.892 -5.105 1.00 0.00 C ATOM 1226 C GLN A 109 4.596 -11.547 -5.670 1.00 0.00 C ATOM 1227 O GLN A 109 5.302 -10.921 -6.462 1.00 0.00 O ATOM 1228 CB GLN A 109 6.546 -13.159 -5.378 1.00 0.00 C ATOM 1229 CG GLN A 109 7.197 -14.010 -4.293 1.00 0.00 C ATOM 1230 CD GLN A 109 8.706 -13.776 -4.336 1.00 0.00 C ATOM 1231 OE1 GLN A 109 9.338 -13.835 -5.386 1.00 0.00 O ATOM 1232 NE2 GLN A 109 9.306 -13.419 -3.220 1.00 0.00 N ATOM 0 H GLN A 109 3.963 -14.641 -4.870 1.00 0.00 H new ATOM 0 HA GLN A 109 4.919 -12.825 -4.026 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.651 -13.661 -6.340 1.00 0.00 H new ATOM 0 HB3 GLN A 109 7.074 -12.209 -5.455 1.00 0.00 H new ATOM 0 HG2 GLN A 109 6.800 -13.744 -3.313 1.00 0.00 H new ATOM 0 HG3 GLN A 109 6.972 -15.065 -4.452 1.00 0.00 H new ATOM 0 HE21 GLN A 109 8.777 -13.371 -2.349 1.00 0.00 H new ATOM 0 HE22 GLN A 109 10.300 -13.190 -3.226 1.00 0.00 H new ATOM 1241 N ARG A 110 3.432 -11.079 -5.218 1.00 0.00 N ATOM 1242 CA ARG A 110 2.879 -9.803 -5.674 1.00 0.00 C ATOM 1243 C ARG A 110 2.059 -9.171 -4.579 1.00 0.00 C ATOM 1244 O ARG A 110 1.485 -9.861 -3.731 1.00 0.00 O ATOM 1245 CB ARG A 110 2.127 -10.032 -6.999 1.00 0.00 C ATOM 1246 CG ARG A 110 1.384 -8.813 -7.552 1.00 0.00 C ATOM 1247 CD ARG A 110 0.683 -9.174 -8.863 1.00 0.00 C ATOM 1248 NE ARG A 110 -0.386 -10.180 -8.761 1.00 0.00 N ATOM 1249 CZ ARG A 110 -1.214 -10.521 -9.754 1.00 0.00 C ATOM 1250 NH1 ARG A 110 -1.126 -9.926 -10.942 1.00 0.00 N ATOM 1251 NH2 ARG A 110 -2.134 -11.449 -9.535 1.00 0.00 N ATOM 0 H ARG A 110 2.852 -11.566 -4.534 1.00 0.00 H new ATOM 0 HA ARG A 110 3.666 -9.080 -5.888 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.842 -10.371 -7.749 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.409 -10.839 -6.855 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.652 -8.462 -6.824 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.085 -7.995 -7.719 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.261 -8.264 -9.290 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.433 -9.538 -9.566 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.504 -10.653 -7.865 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -0.423 -9.204 -11.100 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -1.762 -10.192 -11.694 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.203 -11.892 -8.619 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.773 -11.720 -10.282 1.00 0.00 H new ATOM 1265 N LEU A 111 2.055 -7.844 -4.565 1.00 0.00 N ATOM 1266 CA LEU A 111 1.198 -7.047 -3.714 1.00 0.00 C ATOM 1267 C LEU A 111 -0.022 -6.678 -4.555 1.00 0.00 C ATOM 1268 O LEU A 111 0.161 -6.178 -5.658 1.00 0.00 O ATOM 1269 CB LEU A 111 1.969 -5.792 -3.244 1.00 0.00 C ATOM 1270 CG LEU A 111 1.725 -5.420 -1.782 1.00 0.00 C ATOM 1271 CD1 LEU A 111 2.131 -3.970 -1.490 1.00 0.00 C ATOM 1272 CD2 LEU A 111 0.278 -5.657 -1.370 1.00 0.00 C ATOM 0 H LEU A 111 2.664 -7.284 -5.161 1.00 0.00 H new ATOM 0 HA LEU A 111 0.885 -7.586 -2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 111 3.036 -5.958 -3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.687 -4.949 -3.874 1.00 0.00 H new ATOM 0 HG LEU A 111 2.358 -6.077 -1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.942 -3.744 -0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.192 -3.839 -1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.548 -3.296 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.147 -5.380 -0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.381 -5.050 -1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.031 -6.711 -1.500 1.00 0.00 H new ATOM 1284 N ASN A 112 -1.242 -6.932 -4.085 1.00 0.00 N ATOM 1285 CA ASN A 112 -2.485 -6.801 -4.843 1.00 0.00 C ATOM 1286 C ASN A 112 -3.444 -5.891 -4.082 1.00 0.00 C ATOM 1287 O ASN A 112 -3.965 -6.299 -3.050 1.00 0.00 O ATOM 1288 CB ASN A 112 -3.152 -8.172 -4.994 1.00 0.00 C ATOM 1289 CG ASN A 112 -2.557 -9.055 -6.070 1.00 0.00 C ATOM 1290 OD1 ASN A 112 -2.875 -8.936 -7.248 1.00 0.00 O ATOM 1291 ND2 ASN A 112 -1.723 -10.009 -5.702 1.00 0.00 N ATOM 0 H ASN A 112 -1.398 -7.247 -3.128 1.00 0.00 H new ATOM 0 HA ASN A 112 -2.257 -6.386 -5.825 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -3.092 -8.696 -4.040 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -4.210 -8.023 -5.210 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.341 -10.649 -6.398 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.460 -10.106 -4.721 1.00 0.00 H new ATOM 1298 N LEU A 113 -3.669 -4.663 -4.536 1.00 0.00 N ATOM 1299 CA LEU A 113 -4.512 -3.675 -3.876 1.00 0.00 C ATOM 1300 C LEU A 113 -5.648 -3.252 -4.807 1.00 0.00 C ATOM 1301 O LEU A 113 -5.513 -3.315 -6.032 1.00 0.00 O ATOM 1302 CB LEU A 113 -3.691 -2.425 -3.524 1.00 0.00 C ATOM 1303 CG LEU A 113 -2.369 -2.584 -2.755 1.00 0.00 C ATOM 1304 CD1 LEU A 113 -2.468 -3.487 -1.533 1.00 0.00 C ATOM 1305 CD2 LEU A 113 -1.166 -2.931 -3.639 1.00 0.00 C ATOM 0 H LEU A 113 -3.256 -4.317 -5.402 1.00 0.00 H new ATOM 0 HA LEU A 113 -4.915 -4.124 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.467 -1.907 -4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.333 -1.766 -2.939 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.173 -1.583 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.495 -3.548 -1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.198 -3.077 -0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.782 -4.484 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.274 -3.025 -3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.352 -3.874 -4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.015 -2.141 -4.374 1.00 0.00 H new ATOM 1317 N THR A 114 -6.708 -2.686 -4.239 1.00 0.00 N ATOM 1318 CA THR A 114 -7.819 -2.090 -4.977 1.00 0.00 C ATOM 1319 C THR A 114 -8.169 -0.766 -4.306 1.00 0.00 C ATOM 1320 O THR A 114 -8.024 -0.662 -3.088 1.00 0.00 O ATOM 1321 CB THR A 114 -9.010 -3.059 -4.959 1.00 0.00 C ATOM 1322 OG1 THR A 114 -8.608 -4.307 -5.491 1.00 0.00 O ATOM 1323 CG2 THR A 114 -10.189 -2.557 -5.795 1.00 0.00 C ATOM 0 H THR A 114 -6.822 -2.627 -3.227 1.00 0.00 H new ATOM 0 HA THR A 114 -7.553 -1.904 -6.018 1.00 0.00 H new ATOM 0 HB THR A 114 -9.331 -3.145 -3.921 1.00 0.00 H new ATOM 0 HG1 THR A 114 -9.367 -4.927 -5.479 1.00 0.00 H new ATOM 0 HG21 THR A 114 -11.003 -3.280 -5.747 1.00 0.00 H new ATOM 0 HG22 THR A 114 -10.531 -1.599 -5.403 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.874 -2.433 -6.831 1.00 0.00 H new ATOM 1331 N ILE A 115 -8.595 0.240 -5.078 1.00 0.00 N ATOM 1332 CA ILE A 115 -9.042 1.562 -4.636 1.00 0.00 C ATOM 1333 C ILE A 115 -10.100 2.060 -5.624 1.00 0.00 C ATOM 1334 O ILE A 115 -9.860 2.011 -6.834 1.00 0.00 O ATOM 1335 CB ILE A 115 -7.845 2.544 -4.570 1.00 0.00 C ATOM 1336 CG1 ILE A 115 -6.724 2.011 -3.653 1.00 0.00 C ATOM 1337 CG2 ILE A 115 -8.290 3.942 -4.115 1.00 0.00 C ATOM 1338 CD1 ILE A 115 -5.524 2.938 -3.462 1.00 0.00 C ATOM 0 H ILE A 115 -8.639 0.144 -6.093 1.00 0.00 H new ATOM 0 HA ILE A 115 -9.470 1.500 -3.635 1.00 0.00 H new ATOM 0 HB ILE A 115 -7.445 2.626 -5.581 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.153 1.796 -2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.367 1.065 -4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.426 4.605 -4.080 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -9.023 4.338 -4.819 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -8.738 3.876 -3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -4.799 2.463 -2.800 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.059 3.135 -4.428 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -5.857 3.878 -3.021 1.00 0.00 H new ATOM 1350 N PRO A 116 -11.250 2.567 -5.157 1.00 0.00 N ATOM 1351 CA PRO A 116 -12.242 3.169 -6.032 1.00 0.00 C ATOM 1352 C PRO A 116 -11.870 4.617 -6.396 1.00 0.00 C ATOM 1353 O PRO A 116 -11.219 5.309 -5.611 1.00 0.00 O ATOM 1354 CB PRO A 116 -13.526 3.108 -5.221 1.00 0.00 C ATOM 1355 CG PRO A 116 -13.060 3.283 -3.788 1.00 0.00 C ATOM 1356 CD PRO A 116 -11.684 2.623 -3.766 1.00 0.00 C ATOM 0 HA PRO A 116 -12.327 2.652 -6.988 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -14.221 3.894 -5.514 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -14.042 2.158 -5.360 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -13.002 4.336 -3.512 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -13.743 2.806 -3.085 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -10.984 3.198 -3.160 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -11.736 1.625 -3.332 1.00 0.00 H new ATOM 1364 N GLN A 117 -12.353 5.111 -7.543 1.00 0.00 N ATOM 1365 CA GLN A 117 -12.057 6.448 -8.055 1.00 0.00 C ATOM 1366 C GLN A 117 -12.440 7.563 -7.072 1.00 0.00 C ATOM 1367 O GLN A 117 -11.818 8.628 -7.090 1.00 0.00 O ATOM 1368 CB GLN A 117 -12.790 6.656 -9.392 1.00 0.00 C ATOM 1369 CG GLN A 117 -12.216 5.882 -10.584 1.00 0.00 C ATOM 1370 CD GLN A 117 -10.849 6.407 -11.003 1.00 0.00 C ATOM 1371 OE1 GLN A 117 -10.740 7.389 -11.735 1.00 0.00 O ATOM 1372 NE2 GLN A 117 -9.780 5.766 -10.558 1.00 0.00 N ATOM 0 H GLN A 117 -12.974 4.578 -8.152 1.00 0.00 H new ATOM 0 HA GLN A 117 -10.978 6.510 -8.197 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -13.834 6.369 -9.263 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -12.779 7.719 -9.632 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -12.135 4.826 -10.325 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -12.904 5.951 -11.426 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.888 4.953 -9.952 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -8.848 6.085 -10.822 1.00 0.00 H new ATOM 1381 N ALA A 118 -13.398 7.304 -6.177 1.00 0.00 N ATOM 1382 CA ALA A 118 -13.847 8.229 -5.147 1.00 0.00 C ATOM 1383 C ALA A 118 -12.733 8.635 -4.176 1.00 0.00 C ATOM 1384 O ALA A 118 -12.915 9.617 -3.453 1.00 0.00 O ATOM 1385 CB ALA A 118 -14.990 7.597 -4.354 1.00 0.00 C ATOM 0 H ALA A 118 -13.895 6.414 -6.154 1.00 0.00 H new ATOM 0 HA ALA A 118 -14.178 9.132 -5.659 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -15.325 8.291 -3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -15.819 7.373 -5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -14.643 6.676 -3.887 1.00 0.00 H new ATOM 1391 N PHE A 119 -11.600 7.922 -4.148 1.00 0.00 N ATOM 1392 CA PHE A 119 -10.434 8.312 -3.368 1.00 0.00 C ATOM 1393 C PHE A 119 -9.154 8.180 -4.200 1.00 0.00 C ATOM 1394 O PHE A 119 -8.162 7.678 -3.690 1.00 0.00 O ATOM 1395 CB PHE A 119 -10.314 7.488 -2.064 1.00 0.00 C ATOM 1396 CG PHE A 119 -11.547 7.349 -1.197 1.00 0.00 C ATOM 1397 CD1 PHE A 119 -12.440 6.308 -1.466 1.00 0.00 C ATOM 1398 CD2 PHE A 119 -11.761 8.159 -0.068 1.00 0.00 C ATOM 1399 CE1 PHE A 119 -13.533 6.059 -0.624 1.00 0.00 C ATOM 1400 CE2 PHE A 119 -12.861 7.929 0.775 1.00 0.00 C ATOM 1401 CZ PHE A 119 -13.750 6.876 0.499 1.00 0.00 C ATOM 0 H PHE A 119 -11.473 7.055 -4.671 1.00 0.00 H new ATOM 0 HA PHE A 119 -10.566 9.358 -3.090 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -9.979 6.486 -2.332 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -9.527 7.936 -1.457 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -12.286 5.686 -2.335 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -11.075 8.964 0.153 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -14.206 5.242 -0.838 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -13.024 8.561 1.635 1.00 0.00 H new ATOM 0 HZ PHE A 119 -14.595 6.696 1.146 1.00 0.00 H new ATOM 1411 N MET A 120 -9.079 8.625 -5.453 1.00 0.00 N ATOM 1412 CA MET A 120 -7.836 8.558 -6.220 1.00 0.00 C ATOM 1413 C MET A 120 -7.473 9.969 -6.680 1.00 0.00 C ATOM 1414 O MET A 120 -8.311 10.687 -7.219 1.00 0.00 O ATOM 1415 CB MET A 120 -8.002 7.588 -7.392 1.00 0.00 C ATOM 1416 CG MET A 120 -7.989 6.145 -6.874 1.00 0.00 C ATOM 1417 SD MET A 120 -7.566 4.856 -8.072 1.00 0.00 S ATOM 1418 CE MET A 120 -5.767 5.071 -8.161 1.00 0.00 C ATOM 0 H MET A 120 -9.864 9.036 -5.959 1.00 0.00 H new ATOM 0 HA MET A 120 -7.020 8.178 -5.606 1.00 0.00 H new ATOM 0 HB2 MET A 120 -8.938 7.789 -7.913 1.00 0.00 H new ATOM 0 HB3 MET A 120 -7.198 7.733 -8.113 1.00 0.00 H new ATOM 0 HG2 MET A 120 -7.281 6.087 -6.047 1.00 0.00 H new ATOM 0 HG3 MET A 120 -8.975 5.921 -6.466 1.00 0.00 H new ATOM 0 HE1 MET A 120 -5.348 4.348 -8.861 1.00 0.00 H new ATOM 0 HE2 MET A 120 -5.538 6.081 -8.502 1.00 0.00 H new ATOM 0 HE3 MET A 120 -5.332 4.914 -7.174 1.00 0.00 H new ATOM 1428 N SER A 121 -6.260 10.411 -6.365 1.00 0.00 N ATOM 1429 CA SER A 121 -5.654 11.675 -6.749 1.00 0.00 C ATOM 1430 C SER A 121 -4.148 11.503 -6.509 1.00 0.00 C ATOM 1431 O SER A 121 -3.756 10.731 -5.636 1.00 0.00 O ATOM 1432 CB SER A 121 -6.233 12.823 -5.921 1.00 0.00 C ATOM 1433 OG SER A 121 -5.941 14.099 -6.447 1.00 0.00 O ATOM 0 H SER A 121 -5.630 9.850 -5.791 1.00 0.00 H new ATOM 0 HA SER A 121 -5.855 11.925 -7.791 1.00 0.00 H new ATOM 0 HB2 SER A 121 -7.315 12.704 -5.856 1.00 0.00 H new ATOM 0 HB3 SER A 121 -5.844 12.760 -4.905 1.00 0.00 H new ATOM 0 HG SER A 121 -6.576 14.754 -6.089 1.00 0.00 H new ATOM 1439 N ASN A 122 -3.301 12.222 -7.242 1.00 0.00 N ATOM 1440 CA ASN A 122 -1.846 12.098 -7.130 1.00 0.00 C ATOM 1441 C ASN A 122 -1.291 12.720 -5.849 1.00 0.00 C ATOM 1442 O ASN A 122 -0.279 12.279 -5.316 1.00 0.00 O ATOM 1443 CB ASN A 122 -1.201 12.838 -8.298 1.00 0.00 C ATOM 1444 CG ASN A 122 0.303 12.602 -8.283 1.00 0.00 C ATOM 1445 OD1 ASN A 122 1.064 13.490 -7.910 1.00 0.00 O ATOM 1446 ND2 ASN A 122 0.760 11.429 -8.686 1.00 0.00 N ATOM 0 H ASN A 122 -3.603 12.909 -7.933 1.00 0.00 H new ATOM 0 HA ASN A 122 -1.619 11.032 -7.126 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -1.625 12.491 -9.240 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -1.413 13.905 -8.227 1.00 0.00 H new ATOM 0 HD21 ASN A 122 1.764 11.247 -8.691 1.00 0.00 H new ATOM 0 HD22 ASN A 122 0.109 10.706 -8.992 1.00 0.00 H new ATOM 1453 N ARG A 123 -1.911 13.804 -5.390 1.00 0.00 N ATOM 1454 CA ARG A 123 -1.501 14.610 -4.249 1.00 0.00 C ATOM 1455 C ARG A 123 -1.249 13.756 -3.000 1.00 0.00 C ATOM 1456 O ARG A 123 -2.214 13.358 -2.345 1.00 0.00 O ATOM 1457 CB ARG A 123 -2.566 15.713 -4.052 1.00 0.00 C ATOM 1458 CG ARG A 123 -4.022 15.211 -3.870 1.00 0.00 C ATOM 1459 CD ARG A 123 -5.115 16.231 -4.200 1.00 0.00 C ATOM 1460 NE ARG A 123 -5.102 17.379 -3.280 1.00 0.00 N ATOM 1461 CZ ARG A 123 -6.140 18.057 -2.771 1.00 0.00 C ATOM 1462 NH1 ARG A 123 -7.401 17.714 -3.024 1.00 0.00 N ATOM 1463 NH2 ARG A 123 -5.900 19.110 -2.005 1.00 0.00 N ATOM 0 H ARG A 123 -2.759 14.161 -5.830 1.00 0.00 H new ATOM 0 HA ARG A 123 -0.538 15.084 -4.438 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -2.293 16.306 -3.179 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -2.535 16.381 -4.913 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -4.167 14.333 -4.499 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -4.150 14.888 -2.837 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -4.982 16.586 -5.222 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -6.089 15.744 -4.156 1.00 0.00 H new ATOM 0 HE ARG A 123 -4.179 17.702 -2.991 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -7.601 16.912 -3.622 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -8.167 18.253 -2.620 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -4.939 19.392 -1.812 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -6.676 19.639 -1.608 1.00 0.00 H new ATOM 1477 N ALA A 124 0.009 13.497 -2.605 1.00 0.00 N ATOM 1478 CA ALA A 124 0.256 12.763 -1.365 1.00 0.00 C ATOM 1479 C ALA A 124 0.024 13.605 -0.117 1.00 0.00 C ATOM 1480 O ALA A 124 -0.194 13.027 0.948 1.00 0.00 O ATOM 1481 CB ALA A 124 1.688 12.247 -1.293 1.00 0.00 C ATOM 0 H ALA A 124 0.847 13.779 -3.115 1.00 0.00 H new ATOM 0 HA ALA A 124 -0.456 11.938 -1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 124 1.834 11.707 -0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.876 11.577 -2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.380 13.088 -1.338 1.00 0.00 H new ATOM 1487 N ARG A 125 0.100 14.942 -0.221 1.00 0.00 N ATOM 1488 CA ARG A 125 0.227 15.830 0.944 1.00 0.00 C ATOM 1489 C ARG A 125 1.350 15.356 1.878 1.00 0.00 C ATOM 1490 O ARG A 125 1.233 15.430 3.100 1.00 0.00 O ATOM 1491 CB ARG A 125 -1.143 15.979 1.642 1.00 0.00 C ATOM 1492 CG ARG A 125 -1.987 17.166 1.156 1.00 0.00 C ATOM 1493 CD ARG A 125 -1.349 18.518 1.516 1.00 0.00 C ATOM 1494 NE ARG A 125 -0.606 19.086 0.382 1.00 0.00 N ATOM 1495 CZ ARG A 125 0.208 20.146 0.407 1.00 0.00 C ATOM 1496 NH1 ARG A 125 0.513 20.795 1.524 1.00 0.00 N ATOM 1497 NH2 ARG A 125 0.707 20.567 -0.742 1.00 0.00 N ATOM 0 H ARG A 125 0.075 15.436 -1.113 1.00 0.00 H new ATOM 0 HA ARG A 125 0.523 16.827 0.617 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.712 15.061 1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.979 16.083 2.715 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -2.113 17.102 0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.982 17.107 1.597 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -2.126 19.216 1.828 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -0.677 18.389 2.364 1.00 0.00 H new ATOM 0 HE ARG A 125 -0.724 18.622 -0.519 1.00 0.00 H new ATOM 0 HH11 ARG A 125 0.121 20.489 2.415 1.00 0.00 H new ATOM 0 HH12 ARG A 125 1.140 21.599 1.492 1.00 0.00 H new ATOM 0 HH21 ARG A 125 0.467 20.086 -1.609 1.00 0.00 H new ATOM 0 HH22 ARG A 125 1.332 21.373 -0.762 1.00 0.00 H new ATOM 1511 N GLY A 126 2.441 14.868 1.293 1.00 0.00 N ATOM 1512 CA GLY A 126 3.547 14.289 2.020 1.00 0.00 C ATOM 1513 C GLY A 126 4.385 13.490 1.045 1.00 0.00 C ATOM 1514 O GLY A 126 4.153 12.297 0.872 1.00 0.00 O ATOM 0 H GLY A 126 2.575 14.868 0.282 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.147 15.071 2.486 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.181 13.648 2.822 1.00 0.00 H new ATOM 1518 N TYR A 127 5.286 14.156 0.324 1.00 0.00 N ATOM 1519 CA TYR A 127 6.311 13.466 -0.445 1.00 0.00 C ATOM 1520 C TYR A 127 7.317 12.898 0.550 1.00 0.00 C ATOM 1521 O TYR A 127 7.879 13.640 1.354 1.00 0.00 O ATOM 1522 CB TYR A 127 6.982 14.436 -1.449 1.00 0.00 C ATOM 1523 CG TYR A 127 8.437 14.180 -1.833 1.00 0.00 C ATOM 1524 CD1 TYR A 127 8.918 12.875 -2.055 1.00 0.00 C ATOM 1525 CD2 TYR A 127 9.330 15.266 -1.940 1.00 0.00 C ATOM 1526 CE1 TYR A 127 10.275 12.650 -2.326 1.00 0.00 C ATOM 1527 CE2 TYR A 127 10.683 15.054 -2.263 1.00 0.00 C ATOM 1528 CZ TYR A 127 11.160 13.738 -2.453 1.00 0.00 C ATOM 1529 OH TYR A 127 12.457 13.524 -2.795 1.00 0.00 O ATOM 0 H TYR A 127 5.324 15.173 0.259 1.00 0.00 H new ATOM 0 HA TYR A 127 5.880 12.658 -1.036 1.00 0.00 H new ATOM 0 HB2 TYR A 127 6.390 14.431 -2.364 1.00 0.00 H new ATOM 0 HB3 TYR A 127 6.919 15.442 -1.034 1.00 0.00 H new ATOM 0 HD1 TYR A 127 8.235 12.039 -2.016 1.00 0.00 H new ATOM 0 HD2 TYR A 127 8.972 16.271 -1.772 1.00 0.00 H new ATOM 0 HE1 TYR A 127 10.642 11.641 -2.438 1.00 0.00 H new ATOM 0 HE2 TYR A 127 11.354 15.894 -2.365 1.00 0.00 H new ATOM 0 HH TYR A 127 12.929 14.382 -2.840 1.00 0.00 H new ATOM 1539 N ILE A 128 7.541 11.587 0.470 1.00 0.00 N ATOM 1540 CA ILE A 128 8.627 10.894 1.140 1.00 0.00 C ATOM 1541 C ILE A 128 9.282 10.015 0.079 1.00 0.00 C ATOM 1542 O ILE A 128 8.560 9.340 -0.665 1.00 0.00 O ATOM 1543 CB ILE A 128 8.081 10.122 2.358 1.00 0.00 C ATOM 1544 CG1 ILE A 128 7.587 11.134 3.401 1.00 0.00 C ATOM 1545 CG2 ILE A 128 9.031 9.094 2.994 1.00 0.00 C ATOM 1546 CD1 ILE A 128 8.679 11.928 4.132 1.00 0.00 C ATOM 0 H ILE A 128 6.951 10.964 -0.081 1.00 0.00 H new ATOM 0 HA ILE A 128 9.381 11.566 1.551 1.00 0.00 H new ATOM 0 HB ILE A 128 7.266 9.506 1.978 1.00 0.00 H new ATOM 0 HG12 ILE A 128 6.920 11.840 2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 128 6.993 10.601 4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 128 8.537 8.616 3.840 1.00 0.00 H new ATOM 0 HG22 ILE A 128 9.297 8.338 2.255 1.00 0.00 H new ATOM 0 HG23 ILE A 128 9.934 9.598 3.339 1.00 0.00 H new ATOM 0 HD11 ILE A 128 8.217 12.612 4.844 1.00 0.00 H new ATOM 0 HD12 ILE A 128 9.335 11.239 4.664 1.00 0.00 H new ATOM 0 HD13 ILE A 128 9.261 12.498 3.408 1.00 0.00 H new ATOM 1558 N PRO A 129 10.616 10.034 -0.048 1.00 0.00 N ATOM 1559 CA PRO A 129 11.334 9.208 -1.001 1.00 0.00 C ATOM 1560 C PRO A 129 11.317 7.741 -0.548 1.00 0.00 C ATOM 1561 O PRO A 129 10.990 7.434 0.603 1.00 0.00 O ATOM 1562 CB PRO A 129 12.748 9.798 -1.067 1.00 0.00 C ATOM 1563 CG PRO A 129 12.933 10.563 0.239 1.00 0.00 C ATOM 1564 CD PRO A 129 11.527 10.799 0.782 1.00 0.00 C ATOM 0 HA PRO A 129 10.880 9.210 -1.992 1.00 0.00 H new ATOM 0 HB2 PRO A 129 13.496 9.012 -1.171 1.00 0.00 H new ATOM 0 HB3 PRO A 129 12.858 10.458 -1.927 1.00 0.00 H new ATOM 0 HG2 PRO A 129 13.535 9.991 0.946 1.00 0.00 H new ATOM 0 HG3 PRO A 129 13.451 11.507 0.070 1.00 0.00 H new ATOM 0 HD2 PRO A 129 11.458 10.483 1.823 1.00 0.00 H new ATOM 0 HD3 PRO A 129 11.276 11.859 0.754 1.00 0.00 H new ATOM 1572 N PRO A 130 11.676 6.790 -1.419 1.00 0.00 N ATOM 1573 CA PRO A 130 11.730 5.379 -1.047 1.00 0.00 C ATOM 1574 C PRO A 130 12.851 5.103 -0.043 1.00 0.00 C ATOM 1575 O PRO A 130 12.811 4.092 0.650 1.00 0.00 O ATOM 1576 CB PRO A 130 11.967 4.634 -2.355 1.00 0.00 C ATOM 1577 CG PRO A 130 12.728 5.656 -3.191 1.00 0.00 C ATOM 1578 CD PRO A 130 12.099 6.979 -2.795 1.00 0.00 C ATOM 0 HA PRO A 130 10.812 5.059 -0.554 1.00 0.00 H new ATOM 0 HB2 PRO A 130 12.547 3.723 -2.203 1.00 0.00 H new ATOM 0 HB3 PRO A 130 11.030 4.340 -2.829 1.00 0.00 H new ATOM 0 HG2 PRO A 130 13.796 5.638 -2.972 1.00 0.00 H new ATOM 0 HG3 PRO A 130 12.618 5.463 -4.258 1.00 0.00 H new ATOM 0 HD2 PRO A 130 12.813 7.798 -2.881 1.00 0.00 H new ATOM 0 HD3 PRO A 130 11.254 7.224 -3.439 1.00 0.00 H new ATOM 1586 N GLU A 131 13.833 5.998 0.020 1.00 0.00 N ATOM 1587 CA GLU A 131 14.986 5.939 0.893 1.00 0.00 C ATOM 1588 C GLU A 131 14.597 6.075 2.367 1.00 0.00 C ATOM 1589 O GLU A 131 15.302 5.551 3.227 1.00 0.00 O ATOM 1590 CB GLU A 131 15.908 7.084 0.453 1.00 0.00 C ATOM 1591 CG GLU A 131 17.167 7.288 1.319 1.00 0.00 C ATOM 1592 CD GLU A 131 17.334 8.712 1.855 1.00 0.00 C ATOM 1593 OE1 GLU A 131 18.014 8.872 2.894 1.00 0.00 O ATOM 1594 OE2 GLU A 131 16.901 9.683 1.186 1.00 0.00 O ATOM 0 H GLU A 131 13.839 6.828 -0.573 1.00 0.00 H new ATOM 0 HA GLU A 131 15.483 4.972 0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 131 16.220 6.902 -0.575 1.00 0.00 H new ATOM 0 HB3 GLU A 131 15.334 8.011 0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 131 17.132 6.596 2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 131 18.046 7.028 0.730 1.00 0.00 H new ATOM 1602 N LEU A 132 13.513 6.800 2.656 1.00 0.00 N ATOM 1603 CA LEU A 132 13.203 7.245 4.015 1.00 0.00 C ATOM 1604 C LEU A 132 12.001 6.515 4.616 1.00 0.00 C ATOM 1605 O LEU A 132 11.869 6.475 5.835 1.00 0.00 O ATOM 1606 CB LEU A 132 12.951 8.759 4.053 1.00 0.00 C ATOM 1607 CG LEU A 132 14.201 9.626 3.831 1.00 0.00 C ATOM 1608 CD1 LEU A 132 13.810 11.102 3.860 1.00 0.00 C ATOM 1609 CD2 LEU A 132 15.262 9.410 4.907 1.00 0.00 C ATOM 0 H LEU A 132 12.830 7.093 1.958 1.00 0.00 H new ATOM 0 HA LEU A 132 14.077 7.003 4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 132 12.212 9.009 3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 132 12.514 9.016 5.018 1.00 0.00 H new ATOM 0 HG LEU A 132 14.617 9.336 2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 132 14.696 11.716 3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 132 13.085 11.302 3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 132 13.369 11.343 4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 132 16.123 10.046 4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 132 14.848 9.663 5.883 1.00 0.00 H new ATOM 0 HD23 LEU A 132 15.574 8.366 4.906 1.00 0.00 H new ATOM 1621 N TRP A 133 11.156 5.906 3.779 1.00 0.00 N ATOM 1622 CA TRP A 133 10.139 4.942 4.206 1.00 0.00 C ATOM 1623 C TRP A 133 10.719 3.523 4.290 1.00 0.00 C ATOM 1624 O TRP A 133 9.982 2.595 4.622 1.00 0.00 O ATOM 1625 CB TRP A 133 8.913 5.052 3.277 1.00 0.00 C ATOM 1626 CG TRP A 133 8.650 3.906 2.347 1.00 0.00 C ATOM 1627 CD1 TRP A 133 9.491 3.446 1.393 1.00 0.00 C ATOM 1628 CD2 TRP A 133 7.528 2.974 2.364 1.00 0.00 C ATOM 1629 NE1 TRP A 133 8.953 2.314 0.815 1.00 0.00 N ATOM 1630 CE2 TRP A 133 7.773 1.944 1.414 1.00 0.00 C ATOM 1631 CE3 TRP A 133 6.331 2.896 3.100 1.00 0.00 C ATOM 1632 CZ2 TRP A 133 6.908 0.851 1.246 1.00 0.00 C ATOM 1633 CZ3 TRP A 133 5.436 1.823 2.912 1.00 0.00 C ATOM 1634 CH2 TRP A 133 5.738 0.789 2.011 1.00 0.00 C ATOM 0 H TRP A 133 11.160 6.071 2.772 1.00 0.00 H new ATOM 0 HA TRP A 133 9.805 5.177 5.217 1.00 0.00 H new ATOM 0 HB2 TRP A 133 8.029 5.191 3.900 1.00 0.00 H new ATOM 0 HB3 TRP A 133 9.025 5.955 2.677 1.00 0.00 H new ATOM 0 HD1 TRP A 133 10.436 3.895 1.125 1.00 0.00 H new ATOM 0 HE1 TRP A 133 9.380 1.812 0.036 1.00 0.00 H new ATOM 0 HE3 TRP A 133 6.095 3.668 3.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 7.142 0.070 0.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 4.509 1.796 3.466 1.00 0.00 H new ATOM 0 HH2 TRP A 133 5.069 -0.052 1.909 1.00 0.00 H new ATOM 1645 N ASP A 134 12.003 3.372 3.945 1.00 0.00 N ATOM 1646 CA ASP A 134 12.758 2.148 3.704 1.00 0.00 C ATOM 1647 C ASP A 134 12.278 0.967 4.555 1.00 0.00 C ATOM 1648 O ASP A 134 12.609 0.883 5.736 1.00 0.00 O ATOM 1649 CB ASP A 134 14.265 2.404 3.841 1.00 0.00 C ATOM 1650 CG ASP A 134 14.746 2.750 5.250 1.00 0.00 C ATOM 1651 OD1 ASP A 134 15.634 2.024 5.748 1.00 0.00 O ATOM 1652 OD2 ASP A 134 14.275 3.742 5.855 1.00 0.00 O ATOM 0 H ASP A 134 12.595 4.192 3.816 1.00 0.00 H new ATOM 0 HA ASP A 134 12.566 1.848 2.674 1.00 0.00 H new ATOM 0 HB2 ASP A 134 14.799 1.517 3.501 1.00 0.00 H new ATOM 0 HB3 ASP A 134 14.540 3.219 3.171 1.00 0.00 H new ATOM 1658 N PRO A 135 11.433 0.076 4.007 1.00 0.00 N ATOM 1659 CA PRO A 135 10.743 -0.896 4.836 1.00 0.00 C ATOM 1660 C PRO A 135 11.686 -2.047 5.214 1.00 0.00 C ATOM 1661 O PRO A 135 11.714 -2.462 6.373 1.00 0.00 O ATOM 1662 CB PRO A 135 9.527 -1.355 4.026 1.00 0.00 C ATOM 1663 CG PRO A 135 9.915 -1.074 2.585 1.00 0.00 C ATOM 1664 CD PRO A 135 10.862 0.113 2.674 1.00 0.00 C ATOM 0 HA PRO A 135 10.414 -0.473 5.785 1.00 0.00 H new ATOM 0 HB2 PRO A 135 9.319 -2.413 4.184 1.00 0.00 H new ATOM 0 HB3 PRO A 135 8.628 -0.808 4.311 1.00 0.00 H new ATOM 0 HG2 PRO A 135 10.401 -1.937 2.129 1.00 0.00 H new ATOM 0 HG3 PRO A 135 9.041 -0.841 1.976 1.00 0.00 H new ATOM 0 HD2 PRO A 135 11.641 0.047 1.915 1.00 0.00 H new ATOM 0 HD3 PRO A 135 10.330 1.049 2.504 1.00 0.00 H new ATOM 1672 N GLY A 136 12.482 -2.547 4.261 1.00 0.00 N ATOM 1673 CA GLY A 136 13.619 -3.411 4.541 1.00 0.00 C ATOM 1674 C GLY A 136 14.423 -3.529 3.261 1.00 0.00 C ATOM 1675 O GLY A 136 14.252 -4.495 2.517 1.00 0.00 O ATOM 0 H GLY A 136 12.348 -2.357 3.268 1.00 0.00 H new ATOM 0 HA2 GLY A 136 14.230 -2.994 5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 136 13.283 -4.392 4.875 1.00 0.00 H new ATOM 1679 N ILE A 137 15.203 -2.499 2.929 1.00 0.00 N ATOM 1680 CA ILE A 137 15.871 -2.396 1.636 1.00 0.00 C ATOM 1681 C ILE A 137 17.178 -3.194 1.679 1.00 0.00 C ATOM 1682 O ILE A 137 18.262 -2.642 1.875 1.00 0.00 O ATOM 1683 CB ILE A 137 16.044 -0.924 1.204 1.00 0.00 C ATOM 1684 CG1 ILE A 137 14.666 -0.226 1.130 1.00 0.00 C ATOM 1685 CG2 ILE A 137 16.711 -0.902 -0.180 1.00 0.00 C ATOM 1686 CD1 ILE A 137 14.731 1.218 0.622 1.00 0.00 C ATOM 0 H ILE A 137 15.388 -1.713 3.552 1.00 0.00 H new ATOM 0 HA ILE A 137 15.249 -2.840 0.858 1.00 0.00 H new ATOM 0 HB ILE A 137 16.661 -0.395 1.930 1.00 0.00 H new ATOM 0 HG12 ILE A 137 14.012 -0.802 0.476 1.00 0.00 H new ATOM 0 HG13 ILE A 137 14.212 -0.233 2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 137 16.843 0.130 -0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 137 17.683 -1.391 -0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 137 16.081 -1.430 -0.896 1.00 0.00 H new ATOM 0 HD11 ILE A 137 13.727 1.641 0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 137 15.358 1.810 1.288 1.00 0.00 H new ATOM 0 HD13 ILE A 137 15.155 1.232 -0.382 1.00 0.00 H new ATOM 1698 N ASN A 138 17.066 -4.502 1.441 1.00 0.00 N ATOM 1699 CA ASN A 138 18.136 -5.485 1.601 1.00 0.00 C ATOM 1700 C ASN A 138 18.943 -5.254 2.893 1.00 0.00 C ATOM 1701 O ASN A 138 20.178 -5.301 2.896 1.00 0.00 O ATOM 1702 CB ASN A 138 19.002 -5.613 0.332 1.00 0.00 C ATOM 1703 CG ASN A 138 20.024 -6.729 0.469 1.00 0.00 C ATOM 1704 OD1 ASN A 138 19.665 -7.886 0.675 1.00 0.00 O ATOM 1705 ND2 ASN A 138 21.311 -6.442 0.369 1.00 0.00 N ATOM 0 H ASN A 138 16.193 -4.921 1.119 1.00 0.00 H new ATOM 0 HA ASN A 138 17.669 -6.462 1.725 1.00 0.00 H new ATOM 0 HB2 ASN A 138 18.362 -5.807 -0.529 1.00 0.00 H new ATOM 0 HB3 ASN A 138 19.514 -4.670 0.142 1.00 0.00 H new ATOM 0 HD21 ASN A 138 22.007 -7.182 0.463 1.00 0.00 H new ATOM 0 HD22 ASN A 138 21.607 -5.481 0.198 1.00 0.00 H new ATOM 1712 N ALA A 139 18.242 -4.950 3.984 1.00 0.00 N ATOM 1713 CA ALA A 139 18.802 -4.533 5.251 1.00 0.00 C ATOM 1714 C ALA A 139 17.858 -5.050 6.314 1.00 0.00 C ATOM 1715 O ALA A 139 16.709 -4.562 6.368 1.00 0.00 O ATOM 1716 CB ALA A 139 18.938 -3.005 5.288 1.00 0.00 C ATOM 0 H ALA A 139 17.223 -4.992 4.001 1.00 0.00 H new ATOM 0 HA ALA A 139 19.804 -4.930 5.413 1.00 0.00 H new ATOM 0 HB1 ALA A 139 19.360 -2.700 6.246 1.00 0.00 H new ATOM 0 HB2 ALA A 139 19.595 -2.679 4.481 1.00 0.00 H new ATOM 0 HB3 ALA A 139 17.956 -2.549 5.163 1.00 0.00 H new TER 1722 ALA A 139