USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 576 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 4 ASN : amide:sc= 0.44 K(o=0.47,f=-1.1) USER MOD Set 1.2: A 68 HIS : no HE2:sc= -1.94! C(o=0.47!,f=-7.4!) USER MOD Set 1.3: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 1.4: A 89 ASN : amide:sc= 1.97 K(o=0.47,f=-1.1) USER MOD Set 2.1: A 65 ASN : amide:sc= 1.05 K(o=2.3,f=-3.7!) USER MOD Set 2.2: A 71 THR OG1 : rot -114:sc= 1.22 USER MOD Single : A 7 ASN : amide:sc= -0.757 K(o=-0.76,f=-1.9) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -37:sc= 0.655 USER MOD Single : A 25 ASN : amide:sc= 0.288 K(o=0.29,f=-8.6!) USER MOD Single : A 29 HIS : no HD1:sc= -0.0979 X(o=-0.098,f=-0.0036) USER MOD Single : A 31 HIS : no HD1:sc= -0.212 X(o=-0.21,f=0.02) USER MOD Single : A 33 THR OG1 : rot 110:sc= 0 USER MOD Single : A 34 SER OG : rot 26:sc= 0.166 USER MOD Single : A 36 ASN :FLIP amide:sc= -0.0161 F(o=-0.52,f=-0.016) USER MOD Single : A 38 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.14) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.267 K(o=0.27,f=-5.9!) USER MOD Single : A 45 ASN : amide:sc= -4.98! C(o=-5!,f=-6.7!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -164:sc= -0.0523 (180deg=-0.35) USER MOD Single : A 62 THR OG1 : rot -148:sc= 0.0815 USER MOD Single : A 73 SER OG : rot -142:sc= -0.22 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.433 X(o=-0.43,f=-0.096) USER MOD Single : A 84 SER OG : rot -90:sc= -0.64 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 176:sc= -4.14! (180deg=-4.21!) USER MOD Single : A 90 TYR OH : rot 162:sc= 0.169 USER MOD Single : A 94 ASN : amide:sc= -1.53 K(o=-1.5,f=-5.6!) USER MOD Single : A 95 SER OG : rot -170:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N CYS A 3 11.130 -3.924 -1.757 1.00 0.00 N ATOM 34 CA CYS A 3 10.390 -4.970 -1.067 1.00 0.00 C ATOM 35 C CYS A 3 9.528 -5.759 -2.048 1.00 0.00 C ATOM 36 O CYS A 3 9.646 -6.980 -2.137 1.00 0.00 O ATOM 37 CB CYS A 3 9.524 -4.367 0.037 1.00 0.00 C ATOM 38 SG CYS A 3 10.426 -3.955 1.569 1.00 0.00 S ATOM 0 HA CYS A 3 11.106 -5.655 -0.614 1.00 0.00 H new ATOM 0 HB2 CYS A 3 9.050 -3.463 -0.344 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.725 -5.068 0.278 1.00 0.00 H new ATOM 42 N ASN A 4 8.675 -5.050 -2.788 1.00 0.00 N ATOM 43 CA ASN A 4 7.787 -5.666 -3.779 1.00 0.00 C ATOM 44 C ASN A 4 6.926 -6.768 -3.167 1.00 0.00 C ATOM 45 O ASN A 4 7.217 -7.954 -3.322 1.00 0.00 O ATOM 46 CB ASN A 4 8.584 -6.235 -4.959 1.00 0.00 C ATOM 47 CG ASN A 4 9.261 -5.166 -5.789 1.00 0.00 C ATOM 48 OD1 ASN A 4 8.648 -4.578 -6.679 1.00 0.00 O ATOM 49 ND2 ASN A 4 10.536 -4.926 -5.530 1.00 0.00 N ATOM 0 H ASN A 4 8.579 -4.037 -2.719 1.00 0.00 H new ATOM 0 HA ASN A 4 7.128 -4.876 -4.140 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.338 -6.925 -4.581 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.915 -6.812 -5.597 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.046 -4.232 -6.077 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.009 -5.435 -4.783 1.00 0.00 H new ATOM 55 N PHE A 5 5.859 -6.371 -2.483 1.00 0.00 N ATOM 56 CA PHE A 5 4.951 -7.325 -1.853 1.00 0.00 C ATOM 57 C PHE A 5 4.391 -8.316 -2.879 1.00 0.00 C ATOM 58 O PHE A 5 4.258 -9.506 -2.607 1.00 0.00 O ATOM 59 CB PHE A 5 3.796 -6.592 -1.154 1.00 0.00 C ATOM 60 CG PHE A 5 2.763 -6.022 -2.088 1.00 0.00 C ATOM 61 CD1 PHE A 5 3.036 -4.900 -2.853 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.519 -6.621 -2.204 1.00 0.00 C ATOM 63 CE1 PHE A 5 2.087 -4.387 -3.715 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.568 -6.114 -3.064 1.00 0.00 C ATOM 65 CZ PHE A 5 0.852 -4.995 -3.820 1.00 0.00 C ATOM 0 H PHE A 5 5.600 -5.393 -2.350 1.00 0.00 H new ATOM 0 HA PHE A 5 5.521 -7.882 -1.109 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.306 -7.283 -0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.208 -5.783 -0.551 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.001 -4.421 -2.774 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.291 -7.496 -1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.311 -3.511 -4.306 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.397 -6.592 -3.146 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.108 -4.595 -4.493 1.00 0.00 H new ATOM 74 N ALA A 6 4.107 -7.806 -4.074 1.00 0.00 N ATOM 75 CA ALA A 6 3.535 -8.600 -5.155 1.00 0.00 C ATOM 76 C ALA A 6 4.487 -9.677 -5.660 1.00 0.00 C ATOM 77 O ALA A 6 4.051 -10.717 -6.153 1.00 0.00 O ATOM 78 CB ALA A 6 3.143 -7.682 -6.295 1.00 0.00 C ATOM 0 H ALA A 6 4.268 -6.829 -4.320 1.00 0.00 H new ATOM 0 HA ALA A 6 2.658 -9.113 -4.759 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.715 -8.271 -7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.407 -6.959 -5.943 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.025 -7.154 -6.657 1.00 0.00 H new ATOM 84 N ASN A 7 5.782 -9.442 -5.507 1.00 0.00 N ATOM 85 CA ASN A 7 6.790 -10.389 -5.974 1.00 0.00 C ATOM 86 C ASN A 7 6.823 -11.643 -5.115 1.00 0.00 C ATOM 87 O ASN A 7 7.538 -12.596 -5.424 1.00 0.00 O ATOM 88 CB ASN A 7 8.173 -9.741 -5.989 1.00 0.00 C ATOM 89 CG ASN A 7 8.378 -8.814 -7.172 1.00 0.00 C ATOM 90 OD1 ASN A 7 7.427 -8.229 -7.697 1.00 0.00 O ATOM 91 ND2 ASN A 7 9.623 -8.657 -7.586 1.00 0.00 N ATOM 0 H ASN A 7 6.162 -8.605 -5.064 1.00 0.00 H new ATOM 0 HA ASN A 7 6.516 -10.677 -6.989 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.316 -9.180 -5.065 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.934 -10.521 -6.009 1.00 0.00 H new ATOM 0 HD21 ASN A 7 9.826 -8.033 -8.367 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.381 -9.159 -7.124 1.00 0.00 H new ATOM 97 N SER A 8 6.064 -11.639 -4.032 1.00 0.00 N ATOM 98 CA SER A 8 6.010 -12.783 -3.142 1.00 0.00 C ATOM 99 C SER A 8 4.572 -13.058 -2.704 1.00 0.00 C ATOM 100 O SER A 8 4.326 -13.909 -1.850 1.00 0.00 O ATOM 101 CB SER A 8 6.898 -12.528 -1.924 1.00 0.00 C ATOM 102 OG SER A 8 8.204 -12.129 -2.314 1.00 0.00 O ATOM 0 H SER A 8 5.477 -10.855 -3.749 1.00 0.00 H new ATOM 0 HA SER A 8 6.376 -13.661 -3.674 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.450 -11.755 -1.300 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.957 -13.432 -1.318 1.00 0.00 H new ATOM 0 HG SER A 8 8.750 -11.971 -1.516 1.00 0.00 H new ATOM 107 N CYS A 9 3.626 -12.349 -3.314 1.00 0.00 N ATOM 108 CA CYS A 9 2.215 -12.500 -2.974 1.00 0.00 C ATOM 109 C CYS A 9 1.387 -12.923 -4.174 1.00 0.00 C ATOM 110 O CYS A 9 1.713 -12.599 -5.315 1.00 0.00 O ATOM 111 CB CYS A 9 1.647 -11.195 -2.406 1.00 0.00 C ATOM 112 SG CYS A 9 1.322 -11.238 -0.610 1.00 0.00 S ATOM 0 H CYS A 9 3.812 -11.664 -4.047 1.00 0.00 H new ATOM 0 HA CYS A 9 2.156 -13.283 -2.218 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.345 -10.385 -2.618 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.719 -10.959 -2.926 1.00 0.00 H new ATOM 116 N THR A 10 0.317 -13.657 -3.899 1.00 0.00 N ATOM 117 CA THR A 10 -0.589 -14.130 -4.930 1.00 0.00 C ATOM 118 C THR A 10 -2.034 -13.982 -4.474 1.00 0.00 C ATOM 119 O THR A 10 -2.320 -14.087 -3.281 1.00 0.00 O ATOM 120 CB THR A 10 -0.316 -15.604 -5.281 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.137 -16.376 -4.083 1.00 0.00 O ATOM 122 CG2 THR A 10 0.914 -15.732 -6.161 1.00 0.00 C ATOM 0 H THR A 10 0.055 -13.940 -2.955 1.00 0.00 H new ATOM 0 HA THR A 10 -0.421 -13.522 -5.819 1.00 0.00 H new ATOM 0 HB THR A 10 -1.177 -15.986 -5.829 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.034 -17.312 -4.319 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.086 -16.783 -6.395 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.760 -15.175 -7.085 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.781 -15.331 -5.636 1.00 0.00 H new ATOM 130 N GLY A 11 -2.929 -13.723 -5.421 1.00 0.00 N ATOM 131 CA GLY A 11 -4.340 -13.570 -5.101 1.00 0.00 C ATOM 132 C GLY A 11 -4.601 -12.409 -4.161 1.00 0.00 C ATOM 133 O GLY A 11 -5.167 -12.586 -3.083 1.00 0.00 O ATOM 0 H GLY A 11 -2.703 -13.615 -6.410 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.904 -13.421 -6.022 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.708 -14.490 -4.647 1.00 0.00 H new ATOM 137 N VAL A 12 -4.190 -11.219 -4.570 1.00 0.00 N ATOM 138 CA VAL A 12 -4.371 -10.030 -3.752 1.00 0.00 C ATOM 139 C VAL A 12 -5.594 -9.226 -4.183 1.00 0.00 C ATOM 140 O VAL A 12 -5.784 -8.941 -5.365 1.00 0.00 O ATOM 141 CB VAL A 12 -3.120 -9.123 -3.781 1.00 0.00 C ATOM 142 CG1 VAL A 12 -1.976 -9.775 -3.022 1.00 0.00 C ATOM 143 CG2 VAL A 12 -2.702 -8.820 -5.212 1.00 0.00 C ATOM 0 H VAL A 12 -3.729 -11.051 -5.464 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.527 -10.380 -2.732 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.371 -8.181 -3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.102 -9.124 -3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.273 -9.937 -1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.732 -10.732 -3.484 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.820 -8.180 -5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.471 -9.752 -5.729 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.516 -8.311 -5.729 1.00 0.00 H new ATOM 153 N GLU A 13 -6.429 -8.880 -3.216 1.00 0.00 N ATOM 154 CA GLU A 13 -7.631 -8.099 -3.482 1.00 0.00 C ATOM 155 C GLU A 13 -7.686 -6.876 -2.572 1.00 0.00 C ATOM 156 O GLU A 13 -7.368 -6.966 -1.384 1.00 0.00 O ATOM 157 CB GLU A 13 -8.891 -8.948 -3.279 1.00 0.00 C ATOM 158 CG GLU A 13 -10.181 -8.177 -3.516 1.00 0.00 C ATOM 159 CD GLU A 13 -11.419 -9.009 -3.266 1.00 0.00 C ATOM 160 OE1 GLU A 13 -11.819 -9.153 -2.094 1.00 0.00 O ATOM 161 OE2 GLU A 13 -12.011 -9.509 -4.247 1.00 0.00 O ATOM 0 H GLU A 13 -6.297 -9.128 -2.235 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.593 -7.771 -4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.857 -9.803 -3.955 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.894 -9.344 -2.264 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.200 -7.302 -2.866 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.196 -7.812 -4.543 1.00 0.00 H new ATOM 166 N LEU A 14 -8.069 -5.736 -3.142 1.00 0.00 N ATOM 167 CA LEU A 14 -8.184 -4.500 -2.381 1.00 0.00 C ATOM 168 C LEU A 14 -9.643 -4.088 -2.250 1.00 0.00 C ATOM 169 O LEU A 14 -10.254 -3.612 -3.209 1.00 0.00 O ATOM 170 CB LEU A 14 -7.383 -3.372 -3.048 1.00 0.00 C ATOM 171 CG LEU A 14 -7.614 -1.970 -2.467 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.434 -1.958 -0.958 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.671 -0.982 -3.102 1.00 0.00 C ATOM 0 H LEU A 14 -8.305 -5.645 -4.130 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.775 -4.678 -1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.322 -3.608 -2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.630 -3.352 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.642 -1.683 -2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.605 -0.950 -0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.148 -2.643 -0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.420 -2.272 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.845 0.009 -2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.642 -1.284 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.843 -0.955 -4.178 1.00 0.00 H new ATOM 184 N TYR A 15 -10.198 -4.280 -1.069 1.00 0.00 N ATOM 185 CA TYR A 15 -11.577 -3.909 -0.817 1.00 0.00 C ATOM 186 C TYR A 15 -11.675 -3.203 0.528 1.00 0.00 C ATOM 187 O TYR A 15 -11.355 -3.789 1.564 1.00 0.00 O ATOM 188 CB TYR A 15 -12.484 -5.140 -0.845 1.00 0.00 C ATOM 189 CG TYR A 15 -13.927 -4.818 -1.162 1.00 0.00 C ATOM 190 CD1 TYR A 15 -14.792 -4.351 -0.181 1.00 0.00 C ATOM 191 CD2 TYR A 15 -14.421 -4.974 -2.451 1.00 0.00 C ATOM 192 CE1 TYR A 15 -16.108 -4.051 -0.475 1.00 0.00 C ATOM 193 CE2 TYR A 15 -15.734 -4.674 -2.754 1.00 0.00 C ATOM 194 CZ TYR A 15 -16.574 -4.214 -1.763 1.00 0.00 C ATOM 195 OH TYR A 15 -17.884 -3.906 -2.062 1.00 0.00 O ATOM 0 H TYR A 15 -9.716 -4.690 -0.269 1.00 0.00 H new ATOM 0 HA TYR A 15 -11.910 -3.231 -1.603 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -12.106 -5.844 -1.586 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -12.435 -5.640 0.123 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -14.430 -4.220 0.828 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -13.766 -5.336 -3.230 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -16.769 -3.691 0.300 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -16.101 -4.799 -3.762 1.00 0.00 H new ATOM 0 HH TYR A 15 -18.051 -4.076 -3.013 1.00 0.00 H new ATOM 204 N GLY A 16 -12.083 -1.943 0.505 1.00 0.00 N ATOM 205 CA GLY A 16 -12.211 -1.187 1.734 1.00 0.00 C ATOM 206 C GLY A 16 -10.868 -0.714 2.248 1.00 0.00 C ATOM 207 O GLY A 16 -10.648 -0.646 3.456 1.00 0.00 O ATOM 0 H GLY A 16 -12.328 -1.430 -0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.859 -0.327 1.565 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.693 -1.805 2.492 1.00 0.00 H new ATOM 211 N TYR A 17 -9.971 -0.388 1.316 1.00 0.00 N ATOM 212 CA TYR A 17 -8.616 0.080 1.637 1.00 0.00 C ATOM 213 C TYR A 17 -7.809 -1.027 2.323 1.00 0.00 C ATOM 214 O TYR A 17 -6.829 -0.761 3.029 1.00 0.00 O ATOM 215 CB TYR A 17 -8.657 1.342 2.518 1.00 0.00 C ATOM 216 CG TYR A 17 -9.669 2.374 2.061 1.00 0.00 C ATOM 217 CD1 TYR A 17 -9.537 3.007 0.834 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.767 2.700 2.852 1.00 0.00 C ATOM 219 CE1 TYR A 17 -10.466 3.935 0.405 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.704 3.624 2.426 1.00 0.00 C ATOM 221 CZ TYR A 17 -11.546 4.239 1.203 1.00 0.00 C ATOM 222 OH TYR A 17 -12.479 5.150 0.765 1.00 0.00 O ATOM 0 H TYR A 17 -10.161 -0.440 0.315 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.122 0.339 0.700 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -8.886 1.051 3.543 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.667 1.798 2.530 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.693 2.770 0.203 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.889 2.224 3.814 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.346 4.420 -0.552 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.554 3.862 3.048 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.028 5.872 0.280 1.00 0.00 H new ATOM 231 N ILE A 18 -8.224 -2.271 2.090 1.00 0.00 N ATOM 232 CA ILE A 18 -7.571 -3.436 2.668 1.00 0.00 C ATOM 233 C ILE A 18 -7.101 -4.370 1.564 1.00 0.00 C ATOM 234 O ILE A 18 -7.889 -4.775 0.711 1.00 0.00 O ATOM 235 CB ILE A 18 -8.526 -4.217 3.588 1.00 0.00 C ATOM 236 CG1 ILE A 18 -9.342 -3.243 4.428 1.00 0.00 C ATOM 237 CG2 ILE A 18 -7.742 -5.175 4.476 1.00 0.00 C ATOM 238 CD1 ILE A 18 -10.376 -3.908 5.314 1.00 0.00 C ATOM 0 H ILE A 18 -9.022 -2.496 1.495 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.724 -3.078 3.253 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.209 -4.807 2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.664 -2.661 5.052 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.846 -2.540 3.764 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.431 -5.720 5.121 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.192 -5.881 3.853 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.040 -4.610 5.090 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.914 -3.147 5.879 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.079 -4.467 4.696 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -9.879 -4.589 6.005 1.00 0.00 H new ATOM 249 N LEU A 19 -5.825 -4.698 1.586 1.00 0.00 N ATOM 250 CA LEU A 19 -5.239 -5.583 0.595 1.00 0.00 C ATOM 251 C LEU A 19 -4.925 -6.924 1.220 1.00 0.00 C ATOM 252 O LEU A 19 -4.068 -7.020 2.089 1.00 0.00 O ATOM 253 CB LEU A 19 -3.952 -4.973 0.052 1.00 0.00 C ATOM 254 CG LEU A 19 -3.972 -4.587 -1.421 1.00 0.00 C ATOM 255 CD1 LEU A 19 -2.681 -3.873 -1.780 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.162 -5.821 -2.289 1.00 0.00 C ATOM 0 H LEU A 19 -5.166 -4.361 2.288 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.952 -5.718 -0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.718 -4.084 0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.140 -5.683 0.211 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.809 -3.913 -1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.698 -3.598 -2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.581 -2.974 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.835 -4.534 -1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.174 -5.529 -3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.342 -6.518 -2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.106 -6.302 -2.035 1.00 0.00 H new ATOM 267 N ARG A 20 -5.603 -7.957 0.784 1.00 0.00 N ATOM 268 CA ARG A 20 -5.366 -9.274 1.327 1.00 0.00 C ATOM 269 C ARG A 20 -4.845 -10.195 0.243 1.00 0.00 C ATOM 270 O ARG A 20 -5.296 -10.128 -0.898 1.00 0.00 O ATOM 271 CB ARG A 20 -6.647 -9.843 1.915 1.00 0.00 C ATOM 272 CG ARG A 20 -6.424 -11.090 2.746 1.00 0.00 C ATOM 273 CD ARG A 20 -7.617 -12.019 2.642 1.00 0.00 C ATOM 274 NE ARG A 20 -8.860 -11.365 3.060 1.00 0.00 N ATOM 275 CZ ARG A 20 -9.802 -11.942 3.806 1.00 0.00 C ATOM 276 NH1 ARG A 20 -9.607 -13.150 4.316 1.00 0.00 N ATOM 277 NH2 ARG A 20 -10.927 -11.286 4.065 1.00 0.00 N ATOM 0 H ARG A 20 -6.319 -7.914 0.059 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.621 -9.195 2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.123 -9.083 2.534 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.339 -10.074 1.105 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.525 -11.604 2.406 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.260 -10.815 3.788 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.718 -12.366 1.614 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.445 -12.900 3.260 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.015 -10.403 2.760 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.732 -13.643 4.138 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.332 -13.586 4.886 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.066 -10.346 3.694 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.652 -11.722 4.635 1.00 0.00 H new ATOM 288 N GLY A 21 -3.889 -11.032 0.601 1.00 0.00 N ATOM 289 CA GLY A 21 -3.326 -11.961 -0.353 1.00 0.00 C ATOM 290 C GLY A 21 -2.485 -13.027 0.313 1.00 0.00 C ATOM 291 O GLY A 21 -2.312 -13.015 1.534 1.00 0.00 O ATOM 0 H GLY A 21 -3.491 -11.086 1.538 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.131 -12.435 -0.915 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.715 -11.415 -1.071 1.00 0.00 H new ATOM 295 N ASP A 22 -1.965 -13.944 -0.486 1.00 0.00 N ATOM 296 CA ASP A 22 -1.140 -15.026 0.025 1.00 0.00 C ATOM 297 C ASP A 22 0.327 -14.772 -0.286 1.00 0.00 C ATOM 298 O ASP A 22 0.742 -14.832 -1.445 1.00 0.00 O ATOM 299 CB ASP A 22 -1.558 -16.364 -0.594 1.00 0.00 C ATOM 300 CG ASP A 22 -2.889 -16.878 -0.083 1.00 0.00 C ATOM 301 OD1 ASP A 22 -2.912 -17.510 0.995 1.00 0.00 O ATOM 302 OD2 ASP A 22 -3.912 -16.681 -0.772 1.00 0.00 O ATOM 0 H ASP A 22 -2.101 -13.960 -1.497 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.280 -15.069 1.105 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.612 -16.253 -1.677 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.787 -17.107 -0.388 1.00 0.00 H new ATOM 306 N CYS A 23 1.112 -14.497 0.743 1.00 0.00 N ATOM 307 CA CYS A 23 2.536 -14.252 0.565 1.00 0.00 C ATOM 308 C CYS A 23 3.333 -15.445 1.084 1.00 0.00 C ATOM 309 O CYS A 23 3.098 -15.921 2.191 1.00 0.00 O ATOM 310 CB CYS A 23 2.959 -12.973 1.296 1.00 0.00 C ATOM 311 SG CYS A 23 3.155 -11.513 0.216 1.00 0.00 S ATOM 0 H CYS A 23 0.789 -14.438 1.709 1.00 0.00 H new ATOM 0 HA CYS A 23 2.739 -14.121 -0.498 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.218 -12.746 2.062 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.902 -13.158 1.810 1.00 0.00 H new ATOM 315 N ILE A 24 4.291 -15.912 0.295 1.00 0.00 N ATOM 316 CA ILE A 24 5.095 -17.074 0.669 1.00 0.00 C ATOM 317 C ILE A 24 6.035 -16.754 1.825 1.00 0.00 C ATOM 318 O ILE A 24 6.690 -15.713 1.840 1.00 0.00 O ATOM 319 CB ILE A 24 5.912 -17.604 -0.531 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.976 -17.889 -1.711 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.685 -18.860 -0.144 1.00 0.00 C ATOM 322 CD1 ILE A 24 5.678 -18.438 -2.933 1.00 0.00 C ATOM 0 H ILE A 24 4.533 -15.506 -0.609 1.00 0.00 H new ATOM 0 HA ILE A 24 4.398 -17.849 0.989 1.00 0.00 H new ATOM 0 HB ILE A 24 6.634 -16.843 -0.828 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.213 -18.599 -1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.461 -16.968 -1.984 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.253 -19.217 -1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.369 -18.629 0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.986 -19.633 0.175 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.948 -18.613 -3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.422 -17.720 -3.278 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.170 -19.377 -2.679 1.00 0.00 H new ATOM 333 N ASN A 25 6.081 -17.649 2.800 1.00 0.00 N ATOM 334 CA ASN A 25 6.941 -17.467 3.960 1.00 0.00 C ATOM 335 C ASN A 25 8.178 -18.355 3.833 1.00 0.00 C ATOM 336 O ASN A 25 8.362 -18.997 2.797 1.00 0.00 O ATOM 337 CB ASN A 25 6.170 -17.767 5.253 1.00 0.00 C ATOM 338 CG ASN A 25 5.977 -19.243 5.522 1.00 0.00 C ATOM 339 OD1 ASN A 25 6.751 -19.847 6.256 1.00 0.00 O ATOM 340 ND2 ASN A 25 4.953 -19.835 4.929 1.00 0.00 N ATOM 0 H ASN A 25 5.533 -18.509 2.811 1.00 0.00 H new ATOM 0 HA ASN A 25 7.268 -16.428 4.004 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.702 -17.321 6.093 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.193 -17.286 5.202 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.785 -20.830 5.076 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.332 -19.296 4.325 1.00 0.00 H new ATOM 346 N GLU A 26 9.005 -18.419 4.874 1.00 0.00 N ATOM 347 CA GLU A 26 10.230 -19.229 4.837 1.00 0.00 C ATOM 348 C GLU A 26 9.930 -20.707 4.570 1.00 0.00 C ATOM 349 O GLU A 26 10.769 -21.435 4.037 1.00 0.00 O ATOM 350 CB GLU A 26 11.009 -19.087 6.146 1.00 0.00 C ATOM 351 CG GLU A 26 10.248 -19.559 7.371 1.00 0.00 C ATOM 352 CD GLU A 26 11.091 -19.491 8.624 1.00 0.00 C ATOM 353 OE1 GLU A 26 11.821 -20.463 8.905 1.00 0.00 O ATOM 354 OE2 GLU A 26 11.036 -18.462 9.329 1.00 0.00 O ATOM 0 H GLU A 26 8.854 -17.923 5.753 1.00 0.00 H new ATOM 0 HA GLU A 26 10.837 -18.855 4.013 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.938 -19.652 6.068 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.283 -18.041 6.282 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.356 -18.947 7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.912 -20.584 7.216 1.00 0.00 H new ATOM 359 N ASP A 27 8.728 -21.134 4.939 1.00 0.00 N ATOM 360 CA ASP A 27 8.289 -22.514 4.749 1.00 0.00 C ATOM 361 C ASP A 27 8.194 -22.862 3.266 1.00 0.00 C ATOM 362 O ASP A 27 8.273 -24.029 2.880 1.00 0.00 O ATOM 363 CB ASP A 27 6.927 -22.712 5.417 1.00 0.00 C ATOM 364 CG ASP A 27 6.460 -24.152 5.422 1.00 0.00 C ATOM 365 OD1 ASP A 27 7.058 -24.970 6.150 1.00 0.00 O ATOM 366 OD2 ASP A 27 5.471 -24.460 4.725 1.00 0.00 O ATOM 0 H ASP A 27 8.029 -20.535 5.378 1.00 0.00 H new ATOM 0 HA ASP A 27 9.024 -23.176 5.206 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.979 -22.352 6.444 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.186 -22.100 4.902 1.00 0.00 H new ATOM 370 N GLY A 28 8.032 -21.837 2.434 1.00 0.00 N ATOM 371 CA GLY A 28 7.927 -22.052 1.006 1.00 0.00 C ATOM 372 C GLY A 28 6.489 -22.144 0.557 1.00 0.00 C ATOM 373 O GLY A 28 6.207 -22.364 -0.620 1.00 0.00 O ATOM 0 H GLY A 28 7.972 -20.862 2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.421 -21.236 0.478 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.451 -22.969 0.737 1.00 0.00 H new ATOM 377 N HIS A 29 5.578 -21.975 1.503 1.00 0.00 N ATOM 378 CA HIS A 29 4.154 -22.027 1.213 1.00 0.00 C ATOM 379 C HIS A 29 3.519 -20.655 1.414 1.00 0.00 C ATOM 380 O HIS A 29 3.949 -19.878 2.273 1.00 0.00 O ATOM 381 CB HIS A 29 3.458 -23.071 2.094 1.00 0.00 C ATOM 382 CG HIS A 29 3.728 -24.483 1.672 1.00 0.00 C ATOM 383 ND1 HIS A 29 2.844 -25.222 0.918 1.00 0.00 N ATOM 384 CD2 HIS A 29 4.787 -25.293 1.904 1.00 0.00 C ATOM 385 CE1 HIS A 29 3.346 -26.422 0.705 1.00 0.00 C ATOM 386 NE2 HIS A 29 4.526 -26.493 1.292 1.00 0.00 N ATOM 0 H HIS A 29 5.801 -21.800 2.483 1.00 0.00 H new ATOM 0 HA HIS A 29 4.029 -22.320 0.171 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.784 -22.940 3.126 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.383 -22.893 2.074 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.674 -25.041 2.467 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.872 -27.214 0.144 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.142 -27.306 1.291 1.00 0.00 H new ATOM 394 N PRO A 30 2.510 -20.334 0.596 1.00 0.00 N ATOM 395 CA PRO A 30 1.796 -19.055 0.664 1.00 0.00 C ATOM 396 C PRO A 30 0.999 -18.892 1.959 1.00 0.00 C ATOM 397 O PRO A 30 0.184 -19.744 2.317 1.00 0.00 O ATOM 398 CB PRO A 30 0.855 -19.100 -0.542 1.00 0.00 C ATOM 399 CG PRO A 30 0.703 -20.545 -0.868 1.00 0.00 C ATOM 400 CD PRO A 30 1.997 -21.195 -0.483 1.00 0.00 C ATOM 0 HA PRO A 30 2.485 -18.211 0.651 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.108 -18.646 -0.307 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.270 -18.548 -1.385 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.131 -20.983 -0.320 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.496 -20.686 -1.929 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.845 -22.219 -0.141 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.689 -21.239 -1.324 1.00 0.00 H new ATOM 405 N HIS A 31 1.254 -17.797 2.654 1.00 0.00 N ATOM 406 CA HIS A 31 0.587 -17.484 3.908 1.00 0.00 C ATOM 407 C HIS A 31 -0.360 -16.309 3.694 1.00 0.00 C ATOM 408 O HIS A 31 0.045 -15.268 3.181 1.00 0.00 O ATOM 409 CB HIS A 31 1.634 -17.141 4.977 1.00 0.00 C ATOM 410 CG HIS A 31 1.088 -16.982 6.366 1.00 0.00 C ATOM 411 ND1 HIS A 31 1.359 -17.872 7.376 1.00 0.00 N ATOM 412 CD2 HIS A 31 0.308 -16.022 6.918 1.00 0.00 C ATOM 413 CE1 HIS A 31 0.774 -17.475 8.485 1.00 0.00 C ATOM 414 NE2 HIS A 31 0.127 -16.353 8.238 1.00 0.00 N ATOM 0 H HIS A 31 1.934 -17.095 2.363 1.00 0.00 H new ATOM 0 HA HIS A 31 0.012 -18.346 4.247 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.392 -17.924 4.987 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.135 -16.216 4.691 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.096 -15.157 6.413 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.816 -17.982 9.437 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -0.418 -15.819 8.915 1.00 0.00 H new ATOM 422 N ALA A 32 -1.612 -16.483 4.086 1.00 0.00 N ATOM 423 CA ALA A 32 -2.615 -15.443 3.926 1.00 0.00 C ATOM 424 C ALA A 32 -2.378 -14.294 4.899 1.00 0.00 C ATOM 425 O ALA A 32 -2.250 -14.502 6.107 1.00 0.00 O ATOM 426 CB ALA A 32 -4.009 -16.019 4.117 1.00 0.00 C ATOM 0 H ALA A 32 -1.959 -17.339 4.519 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.532 -15.049 2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.749 -15.228 3.994 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.185 -16.799 3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.094 -16.443 5.118 1.00 0.00 H new ATOM 432 N THR A 33 -2.304 -13.091 4.361 1.00 0.00 N ATOM 433 CA THR A 33 -2.094 -11.898 5.160 1.00 0.00 C ATOM 434 C THR A 33 -2.904 -10.745 4.574 1.00 0.00 C ATOM 435 O THR A 33 -3.347 -10.812 3.423 1.00 0.00 O ATOM 436 CB THR A 33 -0.596 -11.520 5.226 1.00 0.00 C ATOM 437 OG1 THR A 33 -0.383 -10.495 6.211 1.00 0.00 O ATOM 438 CG2 THR A 33 -0.107 -11.047 3.864 1.00 0.00 C ATOM 0 H THR A 33 -2.388 -12.913 3.360 1.00 0.00 H new ATOM 0 HA THR A 33 -2.428 -12.101 6.177 1.00 0.00 H new ATOM 0 HB THR A 33 -0.029 -12.406 5.512 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.100 -10.872 6.976 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.949 -10.785 3.928 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.240 -11.844 3.133 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.680 -10.173 3.555 1.00 0.00 H new ATOM 446 N SER A 34 -3.113 -9.702 5.358 1.00 0.00 N ATOM 447 CA SER A 34 -3.877 -8.557 4.906 1.00 0.00 C ATOM 448 C SER A 34 -3.242 -7.269 5.381 1.00 0.00 C ATOM 449 O SER A 34 -2.885 -7.145 6.549 1.00 0.00 O ATOM 450 CB SER A 34 -5.296 -8.647 5.437 1.00 0.00 C ATOM 451 OG SER A 34 -5.303 -8.713 6.853 1.00 0.00 O ATOM 0 H SER A 34 -2.763 -9.626 6.313 1.00 0.00 H new ATOM 0 HA SER A 34 -3.891 -8.559 3.816 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.868 -7.780 5.107 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.787 -9.529 5.025 1.00 0.00 H new ATOM 0 HG SER A 34 -4.494 -8.287 7.204 1.00 0.00 H new ATOM 456 N ILE A 35 -3.116 -6.316 4.481 1.00 0.00 N ATOM 457 CA ILE A 35 -2.527 -5.041 4.816 1.00 0.00 C ATOM 458 C ILE A 35 -3.562 -3.931 4.684 1.00 0.00 C ATOM 459 O ILE A 35 -4.397 -3.952 3.782 1.00 0.00 O ATOM 460 CB ILE A 35 -1.319 -4.694 3.914 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.404 -5.901 3.718 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.529 -3.537 4.498 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.750 -6.740 2.504 1.00 0.00 C ATOM 0 H ILE A 35 -3.415 -6.403 3.510 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.177 -5.121 5.845 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.712 -4.401 2.940 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.625 -5.554 3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.451 -6.529 4.608 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.316 -3.309 3.849 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.172 -2.661 4.578 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.163 -3.809 5.488 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.057 -7.578 2.431 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.768 -7.118 2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.675 -6.128 1.605 1.00 0.00 H new ATOM 474 N ASN A 36 -3.500 -2.963 5.575 1.00 0.00 N ATOM 475 CA ASN A 36 -4.430 -1.846 5.544 1.00 0.00 C ATOM 476 C ASN A 36 -3.744 -0.637 4.919 1.00 0.00 C ATOM 477 O ASN A 36 -3.095 0.143 5.616 1.00 0.00 O ATOM 478 CB ASN A 36 -4.902 -1.504 6.960 1.00 0.00 C ATOM 479 CG ASN A 36 -6.340 -1.007 7.024 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.864 -0.497 5.918 1.00 0.00 O flip ATOM 481 ND2 ASN A 36 -6.987 -1.113 8.062 1.00 0.00 N flip ATOM 0 H ASN A 36 -2.816 -2.924 6.331 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.300 -2.122 4.948 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.805 -2.389 7.589 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.245 -0.742 7.378 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.553 -1.510 8.895 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.959 -0.804 8.091 1.00 0.00 H new ATOM 487 N LEU A 37 -3.903 -0.479 3.605 1.00 0.00 N ATOM 488 CA LEU A 37 -3.276 0.627 2.872 1.00 0.00 C ATOM 489 C LEU A 37 -3.721 1.964 3.434 1.00 0.00 C ATOM 490 O LEU A 37 -3.014 2.962 3.320 1.00 0.00 O ATOM 491 CB LEU A 37 -3.614 0.587 1.372 1.00 0.00 C ATOM 492 CG LEU A 37 -3.242 -0.688 0.614 1.00 0.00 C ATOM 493 CD1 LEU A 37 -1.916 -1.254 1.103 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.355 -1.712 0.730 1.00 0.00 C ATOM 0 H LEU A 37 -4.462 -1.103 3.023 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.199 0.511 2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.686 0.747 1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.115 1.427 0.889 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.117 -0.437 -0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.679 -2.160 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.127 -0.517 0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.991 -1.491 2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.077 -2.615 0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.517 -1.956 1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.272 -1.302 0.308 1.00 0.00 H new ATOM 505 N ASN A 38 -4.898 1.968 4.043 1.00 0.00 N ATOM 506 CA ASN A 38 -5.463 3.177 4.627 1.00 0.00 C ATOM 507 C ASN A 38 -4.493 3.826 5.608 1.00 0.00 C ATOM 508 O ASN A 38 -4.461 5.043 5.736 1.00 0.00 O ATOM 509 CB ASN A 38 -6.778 2.856 5.340 1.00 0.00 C ATOM 510 CG ASN A 38 -7.516 4.096 5.815 1.00 0.00 C ATOM 511 OD1 ASN A 38 -7.235 4.634 6.883 1.00 0.00 O ATOM 512 ND2 ASN A 38 -8.487 4.541 5.031 1.00 0.00 N ATOM 0 H ASN A 38 -5.485 1.140 4.146 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.651 3.880 3.816 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.423 2.293 4.665 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.573 2.212 6.195 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.031 5.358 5.307 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.690 4.067 4.151 1.00 0.00 H new ATOM 518 N TYR A 39 -3.684 3.016 6.277 1.00 0.00 N ATOM 519 CA TYR A 39 -2.733 3.535 7.251 1.00 0.00 C ATOM 520 C TYR A 39 -1.300 3.461 6.734 1.00 0.00 C ATOM 521 O TYR A 39 -0.354 3.555 7.514 1.00 0.00 O ATOM 522 CB TYR A 39 -2.844 2.762 8.567 1.00 0.00 C ATOM 523 CG TYR A 39 -4.212 2.846 9.208 1.00 0.00 C ATOM 524 CD1 TYR A 39 -4.634 4.011 9.834 1.00 0.00 C ATOM 525 CD2 TYR A 39 -5.075 1.759 9.191 1.00 0.00 C ATOM 526 CE1 TYR A 39 -5.880 4.090 10.423 1.00 0.00 C ATOM 527 CE2 TYR A 39 -6.324 1.831 9.777 1.00 0.00 C ATOM 528 CZ TYR A 39 -6.722 2.998 10.392 1.00 0.00 C ATOM 529 OH TYR A 39 -7.963 3.077 10.982 1.00 0.00 O ATOM 0 H TYR A 39 -3.667 2.002 6.164 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.980 4.583 7.421 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.602 1.715 8.385 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.101 3.144 9.267 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.978 4.868 9.861 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.765 0.842 8.712 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.194 5.003 10.906 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.985 0.977 9.753 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.433 2.224 10.872 1.00 0.00 H new ATOM 538 N TYR A 40 -1.137 3.280 5.428 1.00 0.00 N ATOM 539 CA TYR A 40 0.199 3.199 4.844 1.00 0.00 C ATOM 540 C TYR A 40 0.370 4.129 3.652 1.00 0.00 C ATOM 541 O TYR A 40 1.491 4.495 3.309 1.00 0.00 O ATOM 542 CB TYR A 40 0.542 1.756 4.468 1.00 0.00 C ATOM 543 CG TYR A 40 0.722 0.863 5.676 1.00 0.00 C ATOM 544 CD1 TYR A 40 1.659 1.175 6.652 1.00 0.00 C ATOM 545 CD2 TYR A 40 -0.049 -0.278 5.847 1.00 0.00 C ATOM 546 CE1 TYR A 40 1.825 0.374 7.765 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.112 -1.088 6.957 1.00 0.00 C ATOM 548 CZ TYR A 40 1.048 -0.754 7.914 1.00 0.00 C ATOM 549 OH TYR A 40 1.210 -1.551 9.025 1.00 0.00 O ATOM 0 H TYR A 40 -1.902 3.187 4.760 1.00 0.00 H new ATOM 0 HA TYR A 40 0.901 3.534 5.608 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.250 1.352 3.837 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.457 1.747 3.876 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.269 2.059 6.539 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.786 -0.538 5.102 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.560 0.630 8.514 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.491 -1.976 7.074 1.00 0.00 H new ATOM 0 HH TYR A 40 0.586 -2.306 8.980 1.00 0.00 H new ATOM 558 N ILE A 41 -0.730 4.512 3.026 1.00 0.00 N ATOM 559 CA ILE A 41 -0.689 5.423 1.893 1.00 0.00 C ATOM 560 C ILE A 41 -1.337 6.746 2.283 1.00 0.00 C ATOM 561 O ILE A 41 -2.328 6.763 3.018 1.00 0.00 O ATOM 562 CB ILE A 41 -1.412 4.844 0.657 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.543 3.815 -0.070 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.819 5.949 -0.302 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.464 2.482 0.628 1.00 0.00 C ATOM 0 H ILE A 41 -1.668 4.205 3.285 1.00 0.00 H new ATOM 0 HA ILE A 41 0.357 5.574 1.627 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.310 4.341 1.015 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.938 3.665 -1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.464 4.217 -0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.326 5.515 -1.164 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.492 6.641 0.204 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.931 6.486 -0.636 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.169 1.807 0.052 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.040 2.617 1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.464 2.057 0.714 1.00 0.00 H new ATOM 576 N GLY A 42 -0.765 7.850 1.821 1.00 0.00 N ATOM 577 CA GLY A 42 -1.316 9.147 2.145 1.00 0.00 C ATOM 578 C GLY A 42 -1.870 9.881 0.943 1.00 0.00 C ATOM 579 O GLY A 42 -1.726 9.432 -0.198 1.00 0.00 O ATOM 0 H GLY A 42 0.067 7.869 1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.109 9.023 2.883 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.541 9.757 2.609 1.00 0.00 H new ATOM 583 N ASN A 43 -2.491 11.020 1.208 1.00 0.00 N ATOM 584 CA ASN A 43 -3.094 11.838 0.165 1.00 0.00 C ATOM 585 C ASN A 43 -2.348 13.156 0.016 1.00 0.00 C ATOM 586 O ASN A 43 -2.423 14.028 0.885 1.00 0.00 O ATOM 587 CB ASN A 43 -4.565 12.117 0.487 1.00 0.00 C ATOM 588 CG ASN A 43 -5.198 13.105 -0.480 1.00 0.00 C ATOM 589 OD1 ASN A 43 -4.838 13.168 -1.652 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.135 13.899 0.013 1.00 0.00 N ATOM 0 H ASN A 43 -2.591 11.403 2.148 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.030 11.287 -0.773 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.123 11.181 0.461 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.643 12.507 1.502 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.583 14.592 -0.586 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.409 13.818 0.992 1.00 0.00 H new ATOM 596 N ASP A 44 -1.616 13.292 -1.075 1.00 0.00 N ATOM 597 CA ASP A 44 -0.867 14.510 -1.333 1.00 0.00 C ATOM 598 C ASP A 44 -1.458 15.264 -2.515 1.00 0.00 C ATOM 599 O ASP A 44 -1.293 14.851 -3.660 1.00 0.00 O ATOM 600 CB ASP A 44 0.603 14.185 -1.604 1.00 0.00 C ATOM 601 CG ASP A 44 1.435 15.427 -1.849 1.00 0.00 C ATOM 602 OD1 ASP A 44 1.652 16.197 -0.887 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.884 15.634 -2.996 1.00 0.00 O ATOM 0 H ASP A 44 -1.524 12.576 -1.796 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.932 15.143 -0.448 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.013 13.638 -0.755 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.673 13.528 -2.471 1.00 0.00 H new ATOM 607 N ASN A 45 -2.162 16.357 -2.228 1.00 0.00 N ATOM 608 CA ASN A 45 -2.771 17.194 -3.262 1.00 0.00 C ATOM 609 C ASN A 45 -3.707 16.371 -4.139 1.00 0.00 C ATOM 610 O ASN A 45 -3.709 16.499 -5.364 1.00 0.00 O ATOM 611 CB ASN A 45 -1.678 17.842 -4.116 1.00 0.00 C ATOM 612 CG ASN A 45 -2.111 19.128 -4.785 1.00 0.00 C ATOM 613 OD1 ASN A 45 -2.847 19.929 -4.210 1.00 0.00 O ATOM 614 ND2 ASN A 45 -1.660 19.328 -6.013 1.00 0.00 N ATOM 0 H ASN A 45 -2.326 16.687 -1.277 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.357 17.976 -2.778 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.810 18.044 -3.488 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.360 17.134 -4.881 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.921 20.173 -6.521 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.052 18.637 -6.452 1.00 0.00 H new ATOM 620 N GLY A 46 -4.488 15.511 -3.503 1.00 0.00 N ATOM 621 CA GLY A 46 -5.425 14.680 -4.230 1.00 0.00 C ATOM 622 C GLY A 46 -4.746 13.558 -4.989 1.00 0.00 C ATOM 623 O GLY A 46 -5.327 12.982 -5.906 1.00 0.00 O ATOM 0 H GLY A 46 -4.489 15.373 -2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.146 14.256 -3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.986 15.299 -4.930 1.00 0.00 H new ATOM 627 N ARG A 47 -3.513 13.254 -4.615 1.00 0.00 N ATOM 628 CA ARG A 47 -2.755 12.199 -5.268 1.00 0.00 C ATOM 629 C ARG A 47 -2.260 11.171 -4.260 1.00 0.00 C ATOM 630 O ARG A 47 -1.954 11.501 -3.115 1.00 0.00 O ATOM 631 CB ARG A 47 -1.568 12.792 -6.024 1.00 0.00 C ATOM 632 CG ARG A 47 -1.664 12.632 -7.531 1.00 0.00 C ATOM 633 CD ARG A 47 -2.890 13.331 -8.103 1.00 0.00 C ATOM 634 NE ARG A 47 -2.841 14.774 -7.885 1.00 0.00 N ATOM 635 CZ ARG A 47 -3.182 15.674 -8.805 1.00 0.00 C ATOM 636 NH1 ARG A 47 -3.639 15.282 -9.987 1.00 0.00 N ATOM 637 NH2 ARG A 47 -3.069 16.965 -8.539 1.00 0.00 N ATOM 0 H ARG A 47 -3.015 13.725 -3.860 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.419 11.698 -5.972 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.489 13.852 -5.784 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.652 12.317 -5.674 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.766 13.038 -7.996 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.702 11.572 -7.781 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.960 13.127 -9.171 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.789 12.924 -7.641 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.527 15.112 -6.975 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.730 14.287 -10.194 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.899 15.975 -10.689 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.721 17.270 -7.630 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.330 17.655 -9.243 1.00 0.00 H new ATOM 648 N LEU A 48 -2.189 9.925 -4.702 1.00 0.00 N ATOM 649 CA LEU A 48 -1.716 8.829 -3.868 1.00 0.00 C ATOM 650 C LEU A 48 -0.213 8.924 -3.661 1.00 0.00 C ATOM 651 O LEU A 48 0.559 8.801 -4.610 1.00 0.00 O ATOM 652 CB LEU A 48 -2.058 7.485 -4.524 1.00 0.00 C ATOM 653 CG LEU A 48 -3.372 6.843 -4.086 1.00 0.00 C ATOM 654 CD1 LEU A 48 -4.528 7.805 -4.245 1.00 0.00 C ATOM 655 CD2 LEU A 48 -3.627 5.584 -4.891 1.00 0.00 C ATOM 0 H LEU A 48 -2.456 9.645 -5.646 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.210 8.897 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.088 7.628 -5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.248 6.786 -4.317 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.290 6.584 -3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.451 7.321 -3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.352 8.690 -3.633 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.616 8.099 -5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.566 5.132 -4.572 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.686 5.835 -5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.812 4.878 -4.730 1.00 0.00 H new ATOM 666 N GLU A 49 0.196 9.159 -2.426 1.00 0.00 N ATOM 667 CA GLU A 49 1.608 9.244 -2.095 1.00 0.00 C ATOM 668 C GLU A 49 2.008 8.015 -1.291 1.00 0.00 C ATOM 669 O GLU A 49 1.299 7.639 -0.355 1.00 0.00 O ATOM 670 CB GLU A 49 1.905 10.533 -1.318 1.00 0.00 C ATOM 671 CG GLU A 49 3.347 10.652 -0.843 1.00 0.00 C ATOM 672 CD GLU A 49 3.657 12.009 -0.242 1.00 0.00 C ATOM 673 OE1 GLU A 49 3.161 12.299 0.865 1.00 0.00 O ATOM 674 OE2 GLU A 49 4.409 12.788 -0.870 1.00 0.00 O ATOM 0 H GLU A 49 -0.432 9.295 -1.634 1.00 0.00 H new ATOM 0 HA GLU A 49 2.195 9.273 -3.013 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.670 11.389 -1.951 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.243 10.585 -0.454 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.546 9.878 -0.102 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.018 10.470 -1.683 1.00 0.00 H new ATOM 679 N TYR A 50 3.123 7.391 -1.696 1.00 0.00 N ATOM 680 CA TYR A 50 3.656 6.182 -1.058 1.00 0.00 C ATOM 681 C TYR A 50 3.397 6.081 0.347 1.00 0.00 C ATOM 682 O TYR A 50 2.549 5.269 0.714 1.00 0.00 O ATOM 683 CB TYR A 50 5.134 5.900 -1.362 1.00 0.00 C ATOM 684 CG TYR A 50 5.945 7.050 -1.958 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.611 7.622 -3.182 1.00 0.00 C ATOM 686 CD2 TYR A 50 7.057 7.557 -1.291 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.350 8.661 -3.714 1.00 0.00 C ATOM 688 CE2 TYR A 50 7.798 8.593 -1.819 1.00 0.00 C ATOM 689 CZ TYR A 50 7.441 9.143 -3.025 1.00 0.00 C ATOM 690 OH TYR A 50 8.179 10.182 -3.544 1.00 0.00 O ATOM 0 H TYR A 50 3.685 7.715 -2.483 1.00 0.00 H new ATOM 0 HA TYR A 50 3.077 5.394 -1.539 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.618 5.587 -0.437 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.185 5.056 -2.050 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.757 7.246 -3.727 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.345 7.130 -0.341 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.074 9.093 -4.665 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.657 8.971 -1.285 1.00 0.00 H new ATOM 0 HH TYR A 50 8.913 10.400 -2.932 1.00 0.00 H new ATOM 699 N PRO A 51 4.020 6.789 1.211 1.00 0.00 N ATOM 700 CA PRO A 51 3.687 6.511 2.484 1.00 0.00 C ATOM 701 C PRO A 51 2.881 7.600 3.128 1.00 0.00 C ATOM 702 O PRO A 51 3.226 8.785 3.104 1.00 0.00 O ATOM 703 CB PRO A 51 5.031 6.316 3.056 1.00 0.00 C ATOM 704 CG PRO A 51 5.862 7.396 2.408 1.00 0.00 C ATOM 705 CD PRO A 51 5.113 7.751 1.139 1.00 0.00 C ATOM 0 HA PRO A 51 3.023 5.657 2.622 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.022 6.416 4.141 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.421 5.323 2.831 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.965 8.262 3.062 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.869 7.042 2.187 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.761 8.782 1.138 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.723 7.622 0.245 1.00 0.00 H new ATOM 710 N GLY A 52 1.812 7.187 3.693 1.00 0.00 N ATOM 711 CA GLY A 52 0.928 8.118 4.313 1.00 0.00 C ATOM 712 C GLY A 52 -0.016 7.472 5.289 1.00 0.00 C ATOM 713 O GLY A 52 0.197 6.335 5.704 1.00 0.00 O ATOM 0 H GLY A 52 1.520 6.211 3.744 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.514 8.877 4.831 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.351 8.631 3.543 1.00 0.00 H new ATOM 717 N GLU A 53 -1.070 8.194 5.636 1.00 0.00 N ATOM 718 CA GLU A 53 -2.070 7.705 6.575 1.00 0.00 C ATOM 719 C GLU A 53 -3.419 8.359 6.320 1.00 0.00 C ATOM 720 O GLU A 53 -3.497 9.538 5.970 1.00 0.00 O ATOM 721 CB GLU A 53 -1.659 7.967 8.032 1.00 0.00 C ATOM 722 CG GLU A 53 -0.458 7.158 8.491 1.00 0.00 C ATOM 723 CD GLU A 53 -0.199 7.281 9.977 1.00 0.00 C ATOM 724 OE1 GLU A 53 0.273 8.348 10.423 1.00 0.00 O ATOM 725 OE2 GLU A 53 -0.462 6.305 10.710 1.00 0.00 O ATOM 0 H GLU A 53 -1.257 9.130 5.278 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.147 6.629 6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.436 9.027 8.151 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.504 7.744 8.683 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.615 6.109 8.240 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.426 7.487 7.945 1.00 0.00 H new ATOM 730 N SER A 54 -4.469 7.567 6.495 1.00 0.00 N ATOM 731 CA SER A 54 -5.844 8.004 6.331 1.00 0.00 C ATOM 732 C SER A 54 -6.131 8.582 4.942 1.00 0.00 C ATOM 733 O SER A 54 -6.933 9.507 4.810 1.00 0.00 O ATOM 734 CB SER A 54 -6.186 9.021 7.415 1.00 0.00 C ATOM 735 OG SER A 54 -5.873 8.507 8.699 1.00 0.00 O ATOM 0 H SER A 54 -4.384 6.586 6.760 1.00 0.00 H new ATOM 0 HA SER A 54 -6.478 7.123 6.430 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.633 9.944 7.242 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.246 9.270 7.366 1.00 0.00 H new ATOM 0 HG SER A 54 -6.097 9.173 9.382 1.00 0.00 H new ATOM 740 N PHE A 55 -5.500 8.038 3.899 1.00 0.00 N ATOM 741 CA PHE A 55 -5.749 8.530 2.546 1.00 0.00 C ATOM 742 C PHE A 55 -7.201 8.247 2.167 1.00 0.00 C ATOM 743 O PHE A 55 -7.850 9.045 1.502 1.00 0.00 O ATOM 744 CB PHE A 55 -4.791 7.892 1.523 1.00 0.00 C ATOM 745 CG PHE A 55 -5.187 6.513 1.065 1.00 0.00 C ATOM 746 CD1 PHE A 55 -5.094 5.422 1.913 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.656 6.316 -0.222 1.00 0.00 C ATOM 748 CE1 PHE A 55 -5.470 4.164 1.485 1.00 0.00 C ATOM 749 CE2 PHE A 55 -6.033 5.061 -0.654 1.00 0.00 C ATOM 750 CZ PHE A 55 -5.937 3.983 0.200 1.00 0.00 C ATOM 0 H PHE A 55 -4.828 7.274 3.963 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.567 9.605 2.530 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.724 8.544 0.652 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.794 7.842 1.961 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.724 5.556 2.919 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.728 7.156 -0.897 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.398 3.321 2.157 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.403 4.923 -1.659 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.227 2.999 -0.137 1.00 0.00 H new ATOM 759 N GLY A 56 -7.714 7.122 2.663 1.00 0.00 N ATOM 760 CA GLY A 56 -9.080 6.713 2.385 1.00 0.00 C ATOM 761 C GLY A 56 -10.110 7.729 2.836 1.00 0.00 C ATOM 762 O GLY A 56 -11.264 7.686 2.413 1.00 0.00 O ATOM 0 H GLY A 56 -7.197 6.478 3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.191 6.543 1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.276 5.762 2.880 1.00 0.00 H new ATOM 766 N SER A 57 -9.696 8.632 3.711 1.00 0.00 N ATOM 767 CA SER A 57 -10.577 9.665 4.219 1.00 0.00 C ATOM 768 C SER A 57 -10.937 10.659 3.112 1.00 0.00 C ATOM 769 O SER A 57 -12.035 11.216 3.099 1.00 0.00 O ATOM 770 CB SER A 57 -9.905 10.390 5.387 1.00 0.00 C ATOM 771 OG SER A 57 -10.811 11.249 6.059 1.00 0.00 O ATOM 0 H SER A 57 -8.748 8.668 4.085 1.00 0.00 H new ATOM 0 HA SER A 57 -11.498 9.199 4.571 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.507 9.658 6.090 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.059 10.970 5.018 1.00 0.00 H new ATOM 0 HG SER A 57 -10.350 11.695 6.800 1.00 0.00 H new ATOM 776 N SER A 58 -10.018 10.856 2.169 1.00 0.00 N ATOM 777 CA SER A 58 -10.244 11.787 1.071 1.00 0.00 C ATOM 778 C SER A 58 -10.050 11.101 -0.286 1.00 0.00 C ATOM 779 O SER A 58 -10.085 11.756 -1.330 1.00 0.00 O ATOM 780 CB SER A 58 -9.281 12.968 1.201 1.00 0.00 C ATOM 781 OG SER A 58 -9.137 13.364 2.560 1.00 0.00 O ATOM 0 H SER A 58 -9.114 10.384 2.145 1.00 0.00 H new ATOM 0 HA SER A 58 -11.273 12.142 1.124 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.308 12.694 0.794 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.649 13.808 0.611 1.00 0.00 H new ATOM 0 HG SER A 58 -8.515 14.119 2.617 1.00 0.00 H new ATOM 786 N CYS A 59 -9.847 9.788 -0.265 1.00 0.00 N ATOM 787 CA CYS A 59 -9.643 9.020 -1.486 1.00 0.00 C ATOM 788 C CYS A 59 -10.708 7.947 -1.629 1.00 0.00 C ATOM 789 O CYS A 59 -11.103 7.325 -0.645 1.00 0.00 O ATOM 790 CB CYS A 59 -8.274 8.348 -1.474 1.00 0.00 C ATOM 791 SG CYS A 59 -6.876 9.488 -1.258 1.00 0.00 S ATOM 0 H CYS A 59 -9.819 9.232 0.590 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.706 9.712 -2.326 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.252 7.611 -0.671 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.142 7.805 -2.410 1.00 0.00 H new ATOM 795 N VAL A 60 -11.164 7.734 -2.854 1.00 0.00 N ATOM 796 CA VAL A 60 -12.177 6.723 -3.135 1.00 0.00 C ATOM 797 C VAL A 60 -11.835 5.947 -4.402 1.00 0.00 C ATOM 798 O VAL A 60 -10.901 6.309 -5.122 1.00 0.00 O ATOM 799 CB VAL A 60 -13.583 7.339 -3.303 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.078 7.950 -2.001 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.582 8.376 -4.417 1.00 0.00 C ATOM 0 H VAL A 60 -10.848 8.250 -3.675 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.187 6.052 -2.276 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.269 6.537 -3.576 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.070 8.375 -2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.127 7.178 -1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.392 8.735 -1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.581 8.799 -4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.875 9.170 -4.175 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.289 7.903 -5.354 1.00 0.00 H new ATOM 811 N LYS A 61 -12.605 4.884 -4.661 1.00 0.00 N ATOM 812 CA LYS A 61 -12.417 4.041 -5.846 1.00 0.00 C ATOM 813 C LYS A 61 -11.064 3.345 -5.825 1.00 0.00 C ATOM 814 O LYS A 61 -10.369 3.279 -6.840 1.00 0.00 O ATOM 815 CB LYS A 61 -12.567 4.852 -7.139 1.00 0.00 C ATOM 816 CG LYS A 61 -14.006 5.016 -7.607 1.00 0.00 C ATOM 817 CD LYS A 61 -14.833 5.862 -6.655 1.00 0.00 C ATOM 818 CE LYS A 61 -16.245 6.051 -7.178 1.00 0.00 C ATOM 819 NZ LYS A 61 -16.265 6.782 -8.474 1.00 0.00 N ATOM 0 H LYS A 61 -13.372 4.585 -4.058 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.197 3.280 -5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.131 5.839 -6.988 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.993 4.367 -7.928 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -14.013 5.475 -8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.466 4.033 -7.708 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.866 5.386 -5.675 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.358 6.834 -6.521 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -16.719 5.077 -7.303 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.834 6.600 -6.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.228 7.127 -8.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.611 7.589 -8.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.971 6.141 -9.239 1.00 0.00 H new ATOM 829 N THR A 62 -10.702 2.830 -4.666 1.00 0.00 N ATOM 830 CA THR A 62 -9.437 2.129 -4.498 1.00 0.00 C ATOM 831 C THR A 62 -9.419 0.790 -5.238 1.00 0.00 C ATOM 832 O THR A 62 -10.368 0.010 -5.164 1.00 0.00 O ATOM 833 CB THR A 62 -9.142 1.899 -3.009 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.345 1.514 -2.326 1.00 0.00 O ATOM 835 CG2 THR A 62 -8.571 3.158 -2.379 1.00 0.00 C ATOM 0 H THR A 62 -11.268 2.883 -3.819 1.00 0.00 H new ATOM 0 HA THR A 62 -8.662 2.762 -4.930 1.00 0.00 H new ATOM 0 HB THR A 62 -8.406 1.100 -2.920 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.316 1.842 -1.403 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.368 2.977 -1.324 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.645 3.430 -2.885 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.290 3.971 -2.476 1.00 0.00 H new ATOM 843 N ALA A 63 -8.333 0.543 -5.957 1.00 0.00 N ATOM 844 CA ALA A 63 -8.155 -0.688 -6.714 1.00 0.00 C ATOM 845 C ALA A 63 -6.671 -0.994 -6.854 1.00 0.00 C ATOM 846 O ALA A 63 -5.832 -0.126 -6.617 1.00 0.00 O ATOM 847 CB ALA A 63 -8.812 -0.591 -8.080 1.00 0.00 C ATOM 0 H ALA A 63 -7.549 1.192 -6.032 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.638 -1.501 -6.172 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.663 -1.524 -8.623 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.880 -0.409 -7.958 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.366 0.230 -8.641 1.00 0.00 H new ATOM 853 N LEU A 64 -6.348 -2.226 -7.222 1.00 0.00 N ATOM 854 CA LEU A 64 -4.959 -2.636 -7.368 1.00 0.00 C ATOM 855 C LEU A 64 -4.659 -3.113 -8.786 1.00 0.00 C ATOM 856 O LEU A 64 -5.164 -4.147 -9.220 1.00 0.00 O ATOM 857 CB LEU A 64 -4.645 -3.750 -6.364 1.00 0.00 C ATOM 858 CG LEU A 64 -3.607 -3.403 -5.292 1.00 0.00 C ATOM 859 CD1 LEU A 64 -2.223 -3.310 -5.895 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.958 -2.099 -4.604 1.00 0.00 C ATOM 0 H LEU A 64 -7.029 -2.958 -7.425 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.328 -1.770 -7.170 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.571 -4.038 -5.867 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.294 -4.623 -6.915 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.614 -4.202 -4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.502 -3.063 -5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.957 -4.267 -6.345 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.211 -2.534 -6.660 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.207 -1.873 -3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.985 -1.295 -5.340 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.935 -2.189 -4.130 1.00 0.00 H new ATOM 871 N ASN A 65 -3.832 -2.354 -9.496 1.00 0.00 N ATOM 872 CA ASN A 65 -3.442 -2.701 -10.857 1.00 0.00 C ATOM 873 C ASN A 65 -2.494 -3.883 -10.845 1.00 0.00 C ATOM 874 O ASN A 65 -1.403 -3.799 -10.272 1.00 0.00 O ATOM 875 CB ASN A 65 -2.742 -1.527 -11.543 1.00 0.00 C ATOM 876 CG ASN A 65 -3.640 -0.324 -11.719 1.00 0.00 C ATOM 877 OD1 ASN A 65 -3.731 0.521 -10.833 1.00 0.00 O ATOM 878 ND2 ASN A 65 -4.296 -0.234 -12.862 1.00 0.00 N ATOM 0 H ASN A 65 -3.417 -1.489 -9.149 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.350 -2.952 -11.406 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.869 -1.239 -10.957 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.379 -1.848 -12.519 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.909 0.562 -13.037 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.189 -0.961 -13.570 1.00 0.00 H new ATOM 884 N ASP A 66 -2.933 -4.984 -11.450 1.00 0.00 N ATOM 885 CA ASP A 66 -2.144 -6.223 -11.552 1.00 0.00 C ATOM 886 C ASP A 66 -1.661 -6.709 -10.180 1.00 0.00 C ATOM 887 O ASP A 66 -0.783 -7.566 -10.081 1.00 0.00 O ATOM 888 CB ASP A 66 -0.959 -6.013 -12.506 1.00 0.00 C ATOM 889 CG ASP A 66 -0.315 -7.315 -12.953 1.00 0.00 C ATOM 890 OD1 ASP A 66 -0.961 -8.073 -13.708 1.00 0.00 O ATOM 891 OD2 ASP A 66 0.839 -7.581 -12.556 1.00 0.00 O ATOM 0 H ASP A 66 -3.852 -5.049 -11.888 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.792 -7.001 -11.955 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.300 -5.463 -13.383 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.209 -5.394 -12.013 1.00 0.00 H new ATOM 895 N GLY A 67 -2.255 -6.167 -9.124 1.00 0.00 N ATOM 896 CA GLY A 67 -1.889 -6.547 -7.775 1.00 0.00 C ATOM 897 C GLY A 67 -0.541 -5.998 -7.325 1.00 0.00 C ATOM 898 O GLY A 67 0.167 -6.656 -6.567 1.00 0.00 O ATOM 0 H GLY A 67 -2.991 -5.464 -9.181 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.660 -6.199 -7.088 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.869 -7.635 -7.707 1.00 0.00 H new ATOM 902 N HIS A 68 -0.182 -4.793 -7.771 1.00 0.00 N ATOM 903 CA HIS A 68 1.096 -4.196 -7.367 1.00 0.00 C ATOM 904 C HIS A 68 1.013 -2.666 -7.277 1.00 0.00 C ATOM 905 O HIS A 68 1.769 -2.041 -6.535 1.00 0.00 O ATOM 906 CB HIS A 68 2.236 -4.622 -8.311 1.00 0.00 C ATOM 907 CG HIS A 68 2.244 -3.954 -9.655 1.00 0.00 C ATOM 908 ND1 HIS A 68 3.157 -2.979 -9.999 1.00 0.00 N ATOM 909 CD2 HIS A 68 1.474 -4.143 -10.751 1.00 0.00 C ATOM 910 CE1 HIS A 68 2.948 -2.602 -11.245 1.00 0.00 C ATOM 911 NE2 HIS A 68 1.933 -3.295 -11.723 1.00 0.00 N ATOM 0 H HIS A 68 -0.744 -4.219 -8.400 1.00 0.00 H new ATOM 0 HA HIS A 68 1.318 -4.573 -6.369 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.187 -4.420 -7.818 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.177 -5.700 -8.461 1.00 0.00 H new ATOM 0 HD1 HIS A 68 3.881 -2.607 -9.385 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.650 -4.835 -10.842 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.512 -1.854 -11.782 1.00 0.00 H new ATOM 919 N THR A 69 0.101 -2.070 -8.031 1.00 0.00 N ATOM 920 CA THR A 69 -0.069 -0.626 -8.030 1.00 0.00 C ATOM 921 C THR A 69 -1.447 -0.236 -7.499 1.00 0.00 C ATOM 922 O THR A 69 -2.447 -0.834 -7.870 1.00 0.00 O ATOM 923 CB THR A 69 0.121 -0.073 -9.456 1.00 0.00 C ATOM 924 OG1 THR A 69 1.497 -0.165 -9.829 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.362 1.363 -9.569 1.00 0.00 C ATOM 0 H THR A 69 -0.535 -2.568 -8.654 1.00 0.00 H new ATOM 0 HA THR A 69 0.685 -0.194 -7.372 1.00 0.00 H new ATOM 0 HB THR A 69 -0.481 -0.675 -10.136 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.614 0.186 -10.737 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.212 1.718 -10.588 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.422 1.411 -9.321 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.201 1.992 -8.879 1.00 0.00 H new ATOM 933 N LEU A 70 -1.493 0.752 -6.622 1.00 0.00 N ATOM 934 CA LEU A 70 -2.764 1.209 -6.064 1.00 0.00 C ATOM 935 C LEU A 70 -3.304 2.392 -6.858 1.00 0.00 C ATOM 936 O LEU A 70 -2.567 3.321 -7.173 1.00 0.00 O ATOM 937 CB LEU A 70 -2.592 1.592 -4.589 1.00 0.00 C ATOM 938 CG LEU A 70 -3.739 2.397 -3.964 1.00 0.00 C ATOM 939 CD1 LEU A 70 -5.040 1.618 -3.995 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.391 2.785 -2.537 1.00 0.00 C ATOM 0 H LEU A 70 -0.673 1.253 -6.280 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.482 0.392 -6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.459 0.678 -4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.673 2.169 -4.489 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.876 3.302 -4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.833 2.216 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.301 1.387 -5.028 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.922 0.691 -3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.213 3.356 -2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.224 1.885 -1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.487 3.393 -2.536 1.00 0.00 H new ATOM 951 N THR A 71 -4.582 2.341 -7.189 1.00 0.00 N ATOM 952 CA THR A 71 -5.231 3.408 -7.929 1.00 0.00 C ATOM 953 C THR A 71 -6.451 3.921 -7.181 1.00 0.00 C ATOM 954 O THR A 71 -7.278 3.134 -6.718 1.00 0.00 O ATOM 955 CB THR A 71 -5.667 2.939 -9.326 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.754 1.507 -9.358 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.699 3.429 -10.389 1.00 0.00 C ATOM 0 H THR A 71 -5.197 1.562 -6.953 1.00 0.00 H new ATOM 0 HA THR A 71 -4.501 4.211 -8.035 1.00 0.00 H new ATOM 0 HB THR A 71 -6.649 3.361 -9.539 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.067 1.151 -9.960 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.029 3.084 -11.369 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.669 4.519 -10.379 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.703 3.037 -10.183 1.00 0.00 H new ATOM 965 N ALA A 72 -6.541 5.235 -7.034 1.00 0.00 N ATOM 966 CA ALA A 72 -7.676 5.854 -6.360 1.00 0.00 C ATOM 967 C ALA A 72 -7.750 7.338 -6.680 1.00 0.00 C ATOM 968 O ALA A 72 -6.779 7.931 -7.149 1.00 0.00 O ATOM 969 CB ALA A 72 -7.600 5.646 -4.856 1.00 0.00 C ATOM 0 H ALA A 72 -5.841 5.895 -7.373 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.582 5.372 -6.728 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.459 6.118 -4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.604 4.579 -4.636 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.682 6.092 -4.473 1.00 0.00 H new ATOM 975 N SER A 73 -8.899 7.930 -6.419 1.00 0.00 N ATOM 976 CA SER A 73 -9.109 9.342 -6.676 1.00 0.00 C ATOM 977 C SER A 73 -9.201 10.086 -5.352 1.00 0.00 C ATOM 978 O SER A 73 -9.992 9.713 -4.482 1.00 0.00 O ATOM 979 CB SER A 73 -10.387 9.537 -7.492 1.00 0.00 C ATOM 980 OG SER A 73 -10.544 10.886 -7.884 1.00 0.00 O ATOM 0 H SER A 73 -9.708 7.450 -6.026 1.00 0.00 H new ATOM 0 HA SER A 73 -8.271 9.740 -7.249 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.358 8.900 -8.376 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.249 9.224 -6.902 1.00 0.00 H new ATOM 0 HG SER A 73 -11.492 11.130 -7.843 1.00 0.00 H new ATOM 985 N CYS A 74 -8.394 11.124 -5.195 1.00 0.00 N ATOM 986 CA CYS A 74 -8.378 11.889 -3.956 1.00 0.00 C ATOM 987 C CYS A 74 -8.621 13.371 -4.194 1.00 0.00 C ATOM 988 O CYS A 74 -8.291 13.910 -5.250 1.00 0.00 O ATOM 989 CB CYS A 74 -7.029 11.732 -3.267 1.00 0.00 C ATOM 990 SG CYS A 74 -6.438 10.023 -3.157 1.00 0.00 S ATOM 0 H CYS A 74 -7.743 11.456 -5.907 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.182 11.500 -3.332 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.289 12.325 -3.804 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.099 12.145 -2.261 1.00 0.00 H new ATOM 994 N LYS A 75 -9.213 14.019 -3.205 1.00 0.00 N ATOM 995 CA LYS A 75 -9.469 15.446 -3.266 1.00 0.00 C ATOM 996 C LYS A 75 -8.406 16.195 -2.465 1.00 0.00 C ATOM 997 O LYS A 75 -7.989 15.735 -1.402 1.00 0.00 O ATOM 998 CB LYS A 75 -10.872 15.765 -2.732 1.00 0.00 C ATOM 999 CG LYS A 75 -11.135 17.254 -2.551 1.00 0.00 C ATOM 1000 CD LYS A 75 -10.921 17.684 -1.107 1.00 0.00 C ATOM 1001 CE LYS A 75 -10.732 19.185 -0.987 1.00 0.00 C ATOM 1002 NZ LYS A 75 -10.735 19.629 0.435 1.00 0.00 N ATOM 0 H LYS A 75 -9.527 13.573 -2.343 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.422 15.770 -4.306 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.614 15.355 -3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.010 15.262 -1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.474 17.824 -3.204 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.157 17.484 -2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.777 17.376 -0.506 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.047 17.174 -0.702 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.791 19.472 -1.456 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.527 19.696 -1.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.603 20.660 0.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.643 19.378 0.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.961 19.160 0.947 1.00 0.00 H new ATOM 1012 N GLY A 76 -7.962 17.333 -2.982 1.00 0.00 N ATOM 1013 CA GLY A 76 -6.969 18.127 -2.282 1.00 0.00 C ATOM 1014 C GLY A 76 -6.209 19.042 -3.216 1.00 0.00 C ATOM 1015 O GLY A 76 -5.768 20.119 -2.817 1.00 0.00 O ATOM 0 H GLY A 76 -8.271 17.721 -3.873 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.459 18.722 -1.512 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.268 17.464 -1.775 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.059 18.598 -4.457 1.00 0.00 N ATOM 1020 CA ALA A 77 -5.364 19.357 -5.492 1.00 0.00 C ATOM 1021 C ALA A 77 -5.913 20.772 -5.645 1.00 0.00 C ATOM 1022 O ALA A 77 -5.149 21.724 -5.816 1.00 0.00 O ATOM 1023 CB ALA A 77 -5.449 18.611 -6.812 1.00 0.00 C ATOM 0 H ALA A 77 -6.417 17.698 -4.777 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.322 19.455 -5.188 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.930 19.178 -7.585 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.984 17.631 -6.707 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.495 18.488 -7.093 1.00 0.00 H new ATOM 1029 N ASP A 78 -7.231 20.909 -5.570 1.00 0.00 N ATOM 1030 CA ASP A 78 -7.869 22.214 -5.716 1.00 0.00 C ATOM 1031 C ASP A 78 -9.348 22.113 -5.373 1.00 0.00 C ATOM 1032 O ASP A 78 -10.214 22.510 -6.149 1.00 0.00 O ATOM 1033 CB ASP A 78 -7.691 22.745 -7.145 1.00 0.00 C ATOM 1034 CG ASP A 78 -8.006 24.225 -7.257 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -7.411 25.016 -6.499 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -8.826 24.607 -8.121 1.00 0.00 O ATOM 0 H ASP A 78 -7.878 20.137 -5.410 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.393 22.912 -5.028 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.665 22.569 -7.470 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.339 22.186 -7.820 1.00 0.00 H new ATOM 1040 N GLY A 79 -9.632 21.535 -4.213 1.00 0.00 N ATOM 1041 CA GLY A 79 -11.007 21.380 -3.773 1.00 0.00 C ATOM 1042 C GLY A 79 -11.769 20.349 -4.581 1.00 0.00 C ATOM 1043 O GLY A 79 -12.971 20.164 -4.396 1.00 0.00 O ATOM 0 H GLY A 79 -8.933 21.169 -3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.017 21.091 -2.722 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.517 22.341 -3.845 1.00 0.00 H new ATOM 1047 N GLN A 80 -11.066 19.675 -5.476 1.00 0.00 N ATOM 1048 CA GLN A 80 -11.664 18.659 -6.320 1.00 0.00 C ATOM 1049 C GLN A 80 -10.841 17.383 -6.252 1.00 0.00 C ATOM 1050 O GLN A 80 -9.682 17.406 -5.820 1.00 0.00 O ATOM 1051 CB GLN A 80 -11.743 19.158 -7.763 1.00 0.00 C ATOM 1052 CG GLN A 80 -10.382 19.435 -8.388 1.00 0.00 C ATOM 1053 CD GLN A 80 -10.487 19.953 -9.807 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -11.438 19.644 -10.525 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -9.502 20.732 -10.226 1.00 0.00 N ATOM 0 H GLN A 80 -10.069 19.817 -5.636 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.673 18.449 -5.965 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -12.267 18.417 -8.367 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.339 20.070 -7.791 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.848 20.163 -7.778 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.791 18.519 -8.382 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.732 20.963 -9.598 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.513 21.101 -11.177 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.448 16.281 -6.664 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.785 14.986 -6.659 1.00 0.00 C ATOM 1064 C TYR A 81 -10.074 14.750 -7.988 1.00 0.00 C ATOM 1065 O TYR A 81 -10.397 15.387 -8.990 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.804 13.866 -6.403 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.838 13.719 -7.501 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -12.579 12.941 -8.619 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -14.065 14.359 -7.421 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -13.506 12.806 -9.626 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -15.004 14.229 -8.425 1.00 0.00 C ATOM 1072 CZ TYR A 81 -14.720 13.451 -9.526 1.00 0.00 C ATOM 1073 OH TYR A 81 -15.652 13.324 -10.532 1.00 0.00 O ATOM 0 H TYR A 81 -12.408 16.258 -7.009 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.046 14.979 -5.858 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.271 12.922 -6.289 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.314 14.060 -5.460 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.631 12.431 -8.701 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -14.290 14.969 -6.559 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.284 12.198 -10.490 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -15.955 14.734 -8.348 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.452 13.841 -10.304 1.00 0.00 H new ATOM 1082 N HIS A 82 -9.115 13.834 -7.987 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.358 13.485 -9.184 1.00 0.00 C ATOM 1084 C HIS A 82 -7.838 12.058 -9.069 1.00 0.00 C ATOM 1085 O HIS A 82 -7.303 11.665 -8.031 1.00 0.00 O ATOM 1086 CB HIS A 82 -7.196 14.457 -9.420 1.00 0.00 C ATOM 1087 CG HIS A 82 -7.571 15.646 -10.255 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -6.979 16.882 -10.122 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -8.486 15.777 -11.248 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -7.516 17.721 -10.990 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -8.433 17.077 -11.685 1.00 0.00 N ATOM 0 H HIS A 82 -8.839 13.311 -7.156 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.028 13.558 -10.041 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.821 14.803 -8.457 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.380 13.924 -9.907 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -9.136 15.001 -11.625 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.249 18.760 -11.110 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -9.008 17.479 -12.425 1.00 0.00 H new ATOM 1099 N ASP A 83 -8.021 11.289 -10.132 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.587 9.894 -10.171 1.00 0.00 C ATOM 1101 C ASP A 83 -6.065 9.804 -10.225 1.00 0.00 C ATOM 1102 O ASP A 83 -5.432 10.388 -11.105 1.00 0.00 O ATOM 1103 CB ASP A 83 -8.196 9.195 -11.388 1.00 0.00 C ATOM 1104 CG ASP A 83 -7.940 7.699 -11.407 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -6.835 7.281 -11.806 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -8.865 6.931 -11.052 1.00 0.00 O ATOM 0 H ASP A 83 -8.472 11.609 -10.989 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.929 9.398 -9.262 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.271 9.374 -11.401 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.788 9.639 -12.296 1.00 0.00 H new ATOM 1110 N SER A 84 -5.484 9.079 -9.284 1.00 0.00 N ATOM 1111 CA SER A 84 -4.041 8.923 -9.223 1.00 0.00 C ATOM 1112 C SER A 84 -3.667 7.485 -8.889 1.00 0.00 C ATOM 1113 O SER A 84 -4.529 6.673 -8.545 1.00 0.00 O ATOM 1114 CB SER A 84 -3.454 9.876 -8.186 1.00 0.00 C ATOM 1115 OG SER A 84 -4.033 9.676 -6.909 1.00 0.00 O ATOM 0 H SER A 84 -5.992 8.587 -8.549 1.00 0.00 H new ATOM 0 HA SER A 84 -3.626 9.165 -10.202 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.376 9.729 -8.125 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.618 10.906 -8.503 1.00 0.00 H new ATOM 0 HG SER A 84 -4.820 10.251 -6.813 1.00 0.00 H new ATOM 1120 N SER A 85 -2.383 7.174 -8.986 1.00 0.00 N ATOM 1121 CA SER A 85 -1.909 5.835 -8.693 1.00 0.00 C ATOM 1122 C SER A 85 -0.627 5.890 -7.876 1.00 0.00 C ATOM 1123 O SER A 85 0.075 6.903 -7.865 1.00 0.00 O ATOM 1124 CB SER A 85 -1.655 5.058 -9.982 1.00 0.00 C ATOM 1125 OG SER A 85 -2.329 5.650 -11.087 1.00 0.00 O ATOM 0 H SER A 85 -1.654 7.831 -9.265 1.00 0.00 H new ATOM 0 HA SER A 85 -2.681 5.325 -8.117 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.584 5.024 -10.183 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.989 4.028 -9.859 1.00 0.00 H new ATOM 0 HG SER A 85 -2.146 5.131 -11.898 1.00 0.00 H new ATOM 1130 N MET A 86 -0.331 4.796 -7.199 1.00 0.00 N ATOM 1131 CA MET A 86 0.857 4.698 -6.378 1.00 0.00 C ATOM 1132 C MET A 86 1.446 3.300 -6.459 1.00 0.00 C ATOM 1133 O MET A 86 0.760 2.309 -6.198 1.00 0.00 O ATOM 1134 CB MET A 86 0.524 5.055 -4.928 1.00 0.00 C ATOM 1135 CG MET A 86 1.645 4.768 -3.934 1.00 0.00 C ATOM 1136 SD MET A 86 3.273 5.290 -4.530 1.00 0.00 S ATOM 1137 CE MET A 86 2.944 6.970 -5.057 1.00 0.00 C ATOM 0 H MET A 86 -0.907 3.954 -7.204 1.00 0.00 H new ATOM 0 HA MET A 86 1.599 5.404 -6.751 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.272 6.114 -4.876 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.364 4.501 -4.625 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.428 5.276 -2.994 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.668 3.699 -3.720 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.873 7.438 -5.381 1.00 0.00 H new ATOM 0 HE2 MET A 86 2.235 6.959 -5.885 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.523 7.536 -4.226 1.00 0.00 H new ATOM 1145 N ASP A 87 2.707 3.230 -6.846 1.00 0.00 N ATOM 1146 CA ASP A 87 3.403 1.964 -6.948 1.00 0.00 C ATOM 1147 C ASP A 87 3.707 1.445 -5.551 1.00 0.00 C ATOM 1148 O ASP A 87 4.608 1.942 -4.876 1.00 0.00 O ATOM 1149 CB ASP A 87 4.711 2.131 -7.726 1.00 0.00 C ATOM 1150 CG ASP A 87 4.509 2.588 -9.158 1.00 0.00 C ATOM 1151 OD1 ASP A 87 4.500 3.815 -9.401 1.00 0.00 O ATOM 1152 OD2 ASP A 87 4.385 1.724 -10.051 1.00 0.00 O ATOM 0 H ASP A 87 3.271 4.042 -7.096 1.00 0.00 H new ATOM 0 HA ASP A 87 2.769 1.254 -7.479 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.343 2.853 -7.208 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.247 1.182 -7.728 1.00 0.00 H new ATOM 1156 N LEU A 88 2.967 0.435 -5.125 1.00 0.00 N ATOM 1157 CA LEU A 88 3.149 -0.142 -3.796 1.00 0.00 C ATOM 1158 C LEU A 88 4.386 -1.021 -3.765 1.00 0.00 C ATOM 1159 O LEU A 88 4.794 -1.501 -2.708 1.00 0.00 O ATOM 1160 CB LEU A 88 1.930 -0.963 -3.379 1.00 0.00 C ATOM 1161 CG LEU A 88 0.568 -0.321 -3.648 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.544 -1.204 -3.111 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.493 1.065 -3.024 1.00 0.00 C ATOM 0 H LEU A 88 2.232 -0.006 -5.679 1.00 0.00 H new ATOM 0 HA LEU A 88 3.272 0.681 -3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.967 -1.921 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.006 -1.174 -2.312 1.00 0.00 H new ATOM 0 HG LEU A 88 0.443 -0.217 -4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.508 -0.736 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.505 -2.177 -3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.418 -1.335 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.484 1.503 -3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.639 0.987 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.271 1.699 -3.450 1.00 0.00 H new ATOM 1174 N ASN A 89 4.955 -1.250 -4.941 1.00 0.00 N ATOM 1175 CA ASN A 89 6.157 -2.070 -5.080 1.00 0.00 C ATOM 1176 C ASN A 89 7.257 -1.641 -4.108 1.00 0.00 C ATOM 1177 O ASN A 89 8.072 -2.461 -3.687 1.00 0.00 O ATOM 1178 CB ASN A 89 6.679 -2.014 -6.514 1.00 0.00 C ATOM 1179 CG ASN A 89 5.793 -2.772 -7.478 1.00 0.00 C ATOM 1180 OD1 ASN A 89 4.859 -2.213 -8.054 1.00 0.00 O ATOM 1181 ND2 ASN A 89 6.080 -4.050 -7.661 1.00 0.00 N ATOM 0 H ASN A 89 4.601 -0.877 -5.822 1.00 0.00 H new ATOM 0 HA ASN A 89 5.878 -3.095 -4.837 1.00 0.00 H new ATOM 0 HB2 ASN A 89 6.751 -0.974 -6.832 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.687 -2.428 -6.548 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.518 -4.612 -8.300 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.863 -4.473 -7.163 1.00 0.00 H new ATOM 1187 N TYR A 90 7.275 -0.366 -3.741 1.00 0.00 N ATOM 1188 CA TYR A 90 8.278 0.128 -2.810 1.00 0.00 C ATOM 1189 C TYR A 90 7.624 0.708 -1.560 1.00 0.00 C ATOM 1190 O TYR A 90 8.209 1.543 -0.867 1.00 0.00 O ATOM 1191 CB TYR A 90 9.208 1.151 -3.480 1.00 0.00 C ATOM 1192 CG TYR A 90 8.506 2.332 -4.115 1.00 0.00 C ATOM 1193 CD1 TYR A 90 8.046 2.267 -5.425 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.311 3.513 -3.410 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.410 3.344 -6.011 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.677 4.593 -3.991 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.228 4.504 -5.289 1.00 0.00 C ATOM 1198 OH TYR A 90 6.594 5.580 -5.866 1.00 0.00 O ATOM 0 H TYR A 90 6.614 0.337 -4.070 1.00 0.00 H new ATOM 0 HA TYR A 90 8.892 -0.718 -2.503 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.911 1.523 -2.735 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.794 0.641 -4.245 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.188 1.360 -5.994 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.661 3.587 -2.391 1.00 0.00 H new ATOM 0 HE1 TYR A 90 7.057 3.278 -7.030 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.534 5.504 -3.429 1.00 0.00 H new ATOM 0 HH TYR A 90 6.290 6.195 -5.166 1.00 0.00 H new ATOM 1207 N VAL A 91 6.392 0.273 -1.287 1.00 0.00 N ATOM 1208 CA VAL A 91 5.680 0.728 -0.100 1.00 0.00 C ATOM 1209 C VAL A 91 5.144 -0.466 0.698 1.00 0.00 C ATOM 1210 O VAL A 91 4.676 -0.309 1.824 1.00 0.00 O ATOM 1211 CB VAL A 91 4.543 1.738 -0.420 1.00 0.00 C ATOM 1212 CG1 VAL A 91 4.915 2.632 -1.577 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.210 1.080 -0.686 1.00 0.00 C ATOM 0 H VAL A 91 5.874 -0.387 -1.868 1.00 0.00 H new ATOM 0 HA VAL A 91 6.404 1.267 0.511 1.00 0.00 H new ATOM 0 HB VAL A 91 4.426 2.341 0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.100 3.327 -1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.817 3.192 -1.329 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.098 2.024 -2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.464 1.844 -0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.300 0.409 -1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.903 0.511 0.192 1.00 0.00 H new ATOM 1223 N VAL A 92 5.220 -1.664 0.105 1.00 0.00 N ATOM 1224 CA VAL A 92 4.776 -2.893 0.770 1.00 0.00 C ATOM 1225 C VAL A 92 5.757 -4.028 0.491 1.00 0.00 C ATOM 1226 O VAL A 92 6.271 -4.151 -0.624 1.00 0.00 O ATOM 1227 CB VAL A 92 3.381 -3.381 0.309 1.00 0.00 C ATOM 1228 CG1 VAL A 92 2.787 -4.343 1.329 1.00 0.00 C ATOM 1229 CG2 VAL A 92 2.432 -2.233 0.051 1.00 0.00 C ATOM 0 H VAL A 92 5.586 -1.807 -0.836 1.00 0.00 H new ATOM 0 HA VAL A 92 4.725 -2.643 1.830 1.00 0.00 H new ATOM 0 HB VAL A 92 3.519 -3.906 -0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.807 -4.675 0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.444 -5.206 1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.685 -3.838 2.289 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.467 -2.624 -0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.303 -1.655 0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.841 -1.591 -0.729 1.00 0.00 H new ATOM 1239 N GLY A 93 6.019 -4.847 1.500 1.00 0.00 N ATOM 1240 CA GLY A 93 6.908 -5.977 1.331 1.00 0.00 C ATOM 1241 C GLY A 93 6.401 -7.217 2.035 1.00 0.00 C ATOM 1242 O GLY A 93 5.375 -7.172 2.720 1.00 0.00 O ATOM 0 H GLY A 93 5.629 -4.747 2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.026 -6.188 0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.895 -5.721 1.716 1.00 0.00 H new ATOM 1246 N ASN A 94 7.122 -8.319 1.869 1.00 0.00 N ATOM 1247 CA ASN A 94 6.753 -9.590 2.482 1.00 0.00 C ATOM 1248 C ASN A 94 7.869 -10.106 3.381 1.00 0.00 C ATOM 1249 O ASN A 94 9.002 -10.292 2.932 1.00 0.00 O ATOM 1250 CB ASN A 94 6.457 -10.634 1.402 1.00 0.00 C ATOM 1251 CG ASN A 94 6.256 -12.028 1.976 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.721 -12.195 3.073 1.00 0.00 O ATOM 1253 ND2 ASN A 94 6.703 -13.040 1.249 1.00 0.00 N ATOM 0 H ASN A 94 7.974 -8.358 1.309 1.00 0.00 H new ATOM 0 HA ASN A 94 5.861 -9.422 3.085 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.563 -10.339 0.852 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.279 -10.655 0.687 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.610 -13.996 1.593 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.141 -12.864 0.345 1.00 0.00 H new ATOM 1259 N SER A 95 7.544 -10.342 4.640 1.00 0.00 N ATOM 1260 CA SER A 95 8.508 -10.855 5.591 1.00 0.00 C ATOM 1261 C SER A 95 7.962 -12.089 6.294 1.00 0.00 C ATOM 1262 O SER A 95 7.234 -11.981 7.282 1.00 0.00 O ATOM 1263 CB SER A 95 8.866 -9.788 6.617 1.00 0.00 C ATOM 1264 OG SER A 95 9.607 -8.733 6.023 1.00 0.00 O ATOM 0 H SER A 95 6.613 -10.185 5.027 1.00 0.00 H new ATOM 0 HA SER A 95 9.409 -11.133 5.044 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.955 -9.389 7.064 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.447 -10.235 7.423 1.00 0.00 H new ATOM 0 HG SER A 95 9.958 -8.145 6.724 1.00 0.00 H new ATOM 1269 N TYR A 96 8.304 -13.257 5.755 1.00 0.00 N ATOM 1270 CA TYR A 96 7.875 -14.538 6.311 1.00 0.00 C ATOM 1271 C TYR A 96 6.364 -14.704 6.228 1.00 0.00 C ATOM 1272 O TYR A 96 5.716 -15.119 7.189 1.00 0.00 O ATOM 1273 CB TYR A 96 8.355 -14.687 7.757 1.00 0.00 C ATOM 1274 CG TYR A 96 9.859 -14.728 7.878 1.00 0.00 C ATOM 1275 CD1 TYR A 96 10.596 -15.689 7.201 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.546 -13.799 8.651 1.00 0.00 C ATOM 1277 CE1 TYR A 96 11.971 -15.728 7.293 1.00 0.00 C ATOM 1278 CE2 TYR A 96 11.924 -13.830 8.744 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.629 -14.798 8.063 1.00 0.00 C ATOM 1280 OH TYR A 96 14.002 -14.838 8.146 1.00 0.00 O ATOM 0 H TYR A 96 8.886 -13.342 4.921 1.00 0.00 H new ATOM 0 HA TYR A 96 8.329 -15.327 5.711 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.971 -13.856 8.349 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.937 -15.600 8.181 1.00 0.00 H new ATOM 0 HD1 TYR A 96 10.084 -16.419 6.592 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.994 -13.041 9.187 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.529 -16.486 6.763 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.445 -13.100 9.346 1.00 0.00 H new ATOM 0 HH TYR A 96 14.316 -14.114 8.727 1.00 0.00 H new ATOM 1289 N GLY A 97 5.816 -14.404 5.055 1.00 0.00 N ATOM 1290 CA GLY A 97 4.388 -14.523 4.842 1.00 0.00 C ATOM 1291 C GLY A 97 3.597 -13.564 5.700 1.00 0.00 C ATOM 1292 O GLY A 97 2.409 -13.773 5.947 1.00 0.00 O ATOM 0 H GLY A 97 6.341 -14.078 4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.163 -14.337 3.792 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.075 -15.544 5.059 1.00 0.00 H new ATOM 1296 N TYR A 98 4.254 -12.513 6.160 1.00 0.00 N ATOM 1297 CA TYR A 98 3.609 -11.528 6.999 1.00 0.00 C ATOM 1298 C TYR A 98 3.756 -10.149 6.378 1.00 0.00 C ATOM 1299 O TYR A 98 4.814 -9.812 5.837 1.00 0.00 O ATOM 1300 CB TYR A 98 4.224 -11.547 8.399 1.00 0.00 C ATOM 1301 CG TYR A 98 3.335 -10.940 9.466 1.00 0.00 C ATOM 1302 CD1 TYR A 98 3.210 -9.562 9.600 1.00 0.00 C ATOM 1303 CD2 TYR A 98 2.614 -11.749 10.334 1.00 0.00 C ATOM 1304 CE1 TYR A 98 2.397 -9.009 10.571 1.00 0.00 C ATOM 1305 CE2 TYR A 98 1.799 -11.202 11.308 1.00 0.00 C ATOM 1306 CZ TYR A 98 1.693 -9.832 11.420 1.00 0.00 C ATOM 1307 OH TYR A 98 0.879 -9.284 12.386 1.00 0.00 O ATOM 0 H TYR A 98 5.237 -12.323 5.964 1.00 0.00 H new ATOM 0 HA TYR A 98 2.549 -11.768 7.081 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.451 -12.578 8.672 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.170 -11.007 8.377 1.00 0.00 H new ATOM 0 HD1 TYR A 98 3.758 -8.912 8.934 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.691 -12.823 10.247 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.315 -7.936 10.663 1.00 0.00 H new ATOM 0 HE2 TYR A 98 1.248 -11.845 11.978 1.00 0.00 H new ATOM 0 HH TYR A 98 0.453 -10.001 12.900 1.00 0.00 H new ATOM 1316 N MET A 99 2.681 -9.374 6.440 1.00 0.00 N ATOM 1317 CA MET A 99 2.662 -8.024 5.893 1.00 0.00 C ATOM 1318 C MET A 99 3.750 -7.142 6.507 1.00 0.00 C ATOM 1319 O MET A 99 3.811 -6.960 7.722 1.00 0.00 O ATOM 1320 CB MET A 99 1.295 -7.364 6.115 1.00 0.00 C ATOM 1321 CG MET A 99 0.899 -7.226 7.578 1.00 0.00 C ATOM 1322 SD MET A 99 -0.384 -5.986 7.836 1.00 0.00 S ATOM 1323 CE MET A 99 -0.600 -6.088 9.611 1.00 0.00 C ATOM 0 H MET A 99 1.801 -9.662 6.869 1.00 0.00 H new ATOM 0 HA MET A 99 2.855 -8.117 4.824 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.303 -6.375 5.658 1.00 0.00 H new ATOM 0 HB3 MET A 99 0.534 -7.948 5.598 1.00 0.00 H new ATOM 0 HG2 MET A 99 0.547 -8.189 7.948 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.778 -6.961 8.165 1.00 0.00 H new ATOM 0 HE1 MET A 99 -1.365 -5.378 9.926 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.908 -7.098 9.883 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.342 -5.851 10.106 1.00 0.00 H new ATOM 1331 N GLU A 100 4.605 -6.606 5.652 1.00 0.00 N ATOM 1332 CA GLU A 100 5.676 -5.715 6.076 1.00 0.00 C ATOM 1333 C GLU A 100 5.872 -4.617 5.042 1.00 0.00 C ATOM 1334 O GLU A 100 6.785 -4.670 4.221 1.00 0.00 O ATOM 1335 CB GLU A 100 6.976 -6.483 6.295 1.00 0.00 C ATOM 1336 CG GLU A 100 7.093 -7.073 7.687 1.00 0.00 C ATOM 1337 CD GLU A 100 7.223 -6.005 8.756 1.00 0.00 C ATOM 1338 OE1 GLU A 100 8.298 -5.376 8.843 1.00 0.00 O ATOM 1339 OE2 GLU A 100 6.256 -5.789 9.514 1.00 0.00 O ATOM 0 H GLU A 100 4.578 -6.775 4.646 1.00 0.00 H new ATOM 0 HA GLU A 100 5.394 -5.263 7.027 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.045 -7.285 5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.819 -5.815 6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.216 -7.686 7.894 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.960 -7.732 7.728 1.00 0.00 H new ATOM 1344 N PRO A 101 4.994 -3.610 5.062 1.00 0.00 N ATOM 1345 CA PRO A 101 5.043 -2.496 4.118 1.00 0.00 C ATOM 1346 C PRO A 101 6.205 -1.543 4.373 1.00 0.00 C ATOM 1347 O PRO A 101 6.118 -0.634 5.205 1.00 0.00 O ATOM 1348 CB PRO A 101 3.713 -1.784 4.337 1.00 0.00 C ATOM 1349 CG PRO A 101 3.323 -2.113 5.735 1.00 0.00 C ATOM 1350 CD PRO A 101 3.885 -3.476 6.025 1.00 0.00 C ATOM 0 HA PRO A 101 5.196 -2.848 3.098 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.815 -0.708 4.199 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.961 -2.127 3.627 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.718 -1.374 6.432 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.239 -2.109 5.847 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.237 -3.553 7.054 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.136 -4.256 5.885 1.00 0.00 H new ATOM 1355 N CYS A 102 7.289 -1.751 3.645 1.00 0.00 N ATOM 1356 CA CYS A 102 8.465 -0.910 3.784 1.00 0.00 C ATOM 1357 C CYS A 102 8.379 0.253 2.812 1.00 0.00 C ATOM 1358 O CYS A 102 8.035 0.069 1.649 1.00 0.00 O ATOM 1359 CB CYS A 102 9.755 -1.698 3.531 1.00 0.00 C ATOM 1360 SG CYS A 102 10.145 -1.957 1.762 1.00 0.00 S ATOM 0 H CYS A 102 7.379 -2.494 2.952 1.00 0.00 H new ATOM 0 HA CYS A 102 8.493 -0.538 4.808 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.586 -1.172 4.001 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.675 -2.669 4.019 1.00 0.00 H new