USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 544 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 20 SER OG : rot -160:sc= 1.05 USER MOD Set 1.2: A 31 TYR OH : rot -145:sc= 1.2 USER MOD Set 2.1: A 15 CYS SG : rot -161:sc= -0.192 USER MOD Set 2.2: A 59 TYR OH : rot -115:sc= -0.0208 USER MOD Set 3.1: A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 17 MET CE :methyl -158:sc= 0 (180deg=0) USER MOD Set 4.1: A 13 ASN : amide:sc= -0.169 K(o=-0.17,f=-2) USER MOD Set 4.2: A 16 LYS NZ :NH3+ 180:sc=-0.00412 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.209 USER MOD Single : A 12 CYS SG : rot 180:sc=-0.00744 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0614) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 160:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -143:sc= 0.992 (180deg=-0.0306) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 142:sc= 0.372 (180deg=0.00983) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 10.907 4.459 3.232 1.00 0.00 N ATOM 19 CA ARG A 2 9.464 4.251 3.205 1.00 0.00 C ATOM 20 C ARG A 2 8.905 4.975 1.983 1.00 0.00 C ATOM 21 O ARG A 2 9.623 5.764 1.368 1.00 0.00 O ATOM 22 CB ARG A 2 8.831 4.601 4.571 1.00 0.00 C ATOM 23 CG ARG A 2 8.687 6.098 4.885 1.00 0.00 C ATOM 24 CD ARG A 2 8.689 6.485 6.370 1.00 0.00 C ATOM 25 NE ARG A 2 7.351 6.546 6.982 1.00 0.00 N ATOM 26 CZ ARG A 2 7.098 6.722 8.288 1.00 0.00 C ATOM 27 NH1 ARG A 2 8.077 6.774 9.186 1.00 0.00 N ATOM 28 NH2 ARG A 2 5.847 6.834 8.697 1.00 0.00 N ATOM 0 HA ARG A 2 9.198 3.202 3.078 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.843 4.144 4.618 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.433 4.142 5.356 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.500 6.631 4.392 1.00 0.00 H new ATOM 0 HG3 ARG A 2 7.757 6.453 4.440 1.00 0.00 H new ATOM 0 HD2 ARG A 2 9.295 5.765 6.920 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.171 7.457 6.480 1.00 0.00 H new ATOM 0 HE ARG A 2 6.548 6.446 6.360 1.00 0.00 H new ATOM 0 HH11 ARG A 2 9.048 6.679 8.888 1.00 0.00 H new ATOM 0 HH12 ARG A 2 7.857 6.909 10.173 1.00 0.00 H new ATOM 0 HH21 ARG A 2 5.084 6.786 8.022 1.00 0.00 H new ATOM 0 HH22 ARG A 2 5.644 6.968 9.688 1.00 0.00 H new ATOM 42 N TYR A 3 7.658 4.686 1.611 1.00 0.00 N ATOM 43 CA TYR A 3 7.052 5.213 0.394 1.00 0.00 C ATOM 44 C TYR A 3 5.577 5.490 0.637 1.00 0.00 C ATOM 45 O TYR A 3 4.860 4.575 1.037 1.00 0.00 O ATOM 46 CB TYR A 3 7.215 4.217 -0.764 1.00 0.00 C ATOM 47 CG TYR A 3 8.641 3.772 -1.025 1.00 0.00 C ATOM 48 CD1 TYR A 3 9.486 4.564 -1.820 1.00 0.00 C ATOM 49 CD2 TYR A 3 9.124 2.568 -0.476 1.00 0.00 C ATOM 50 CE1 TYR A 3 10.803 4.147 -2.085 1.00 0.00 C ATOM 51 CE2 TYR A 3 10.440 2.149 -0.742 1.00 0.00 C ATOM 52 CZ TYR A 3 11.286 2.932 -1.555 1.00 0.00 C ATOM 53 OH TYR A 3 12.551 2.509 -1.824 1.00 0.00 O ATOM 0 H TYR A 3 7.040 4.078 2.148 1.00 0.00 H new ATOM 0 HA TYR A 3 7.555 6.141 0.124 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.607 3.337 -0.556 1.00 0.00 H new ATOM 0 HB3 TYR A 3 6.819 4.670 -1.673 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.123 5.496 -2.229 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.483 1.966 0.150 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.448 4.760 -2.697 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.805 1.223 -0.322 1.00 0.00 H new ATOM 0 HH TYR A 3 12.712 1.653 -1.375 1.00 0.00 H new ATOM 63 N VAL A 4 5.119 6.724 0.413 1.00 0.00 N ATOM 64 CA VAL A 4 3.718 7.118 0.448 1.00 0.00 C ATOM 65 C VAL A 4 3.082 6.772 -0.896 1.00 0.00 C ATOM 66 O VAL A 4 3.201 7.533 -1.852 1.00 0.00 O ATOM 67 CB VAL A 4 3.531 8.628 0.736 1.00 0.00 C ATOM 68 CG1 VAL A 4 2.128 8.846 1.302 1.00 0.00 C ATOM 69 CG2 VAL A 4 4.533 9.271 1.689 1.00 0.00 C ATOM 0 H VAL A 4 5.741 7.502 0.194 1.00 0.00 H new ATOM 0 HA VAL A 4 3.236 6.577 1.262 1.00 0.00 H new ATOM 0 HB VAL A 4 3.697 9.116 -0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.980 9.906 1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.387 8.512 0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.015 8.276 2.224 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.295 10.328 1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.482 8.776 2.659 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.539 9.169 1.282 1.00 0.00 H new ATOM 79 N LEU A 5 2.389 5.649 -1.009 1.00 0.00 N ATOM 80 CA LEU A 5 1.601 5.306 -2.194 1.00 0.00 C ATOM 81 C LEU A 5 0.304 6.123 -2.197 1.00 0.00 C ATOM 82 O LEU A 5 -0.088 6.685 -1.166 1.00 0.00 O ATOM 83 CB LEU A 5 1.237 3.813 -2.200 1.00 0.00 C ATOM 84 CG LEU A 5 2.281 2.825 -1.654 1.00 0.00 C ATOM 85 CD1 LEU A 5 1.747 1.399 -1.815 1.00 0.00 C ATOM 86 CD2 LEU A 5 3.631 2.933 -2.364 1.00 0.00 C ATOM 0 H LEU A 5 2.354 4.940 -0.276 1.00 0.00 H new ATOM 0 HA LEU A 5 2.199 5.530 -3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.321 3.688 -1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.008 3.527 -3.227 1.00 0.00 H new ATOM 0 HG LEU A 5 2.445 3.072 -0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.480 0.690 -1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.815 1.294 -1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.565 1.196 -2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.326 2.211 -1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.501 2.725 -3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.029 3.940 -2.237 1.00 0.00 H new ATOM 98 N TYR A 6 -0.429 6.103 -3.310 1.00 0.00 N ATOM 99 CA TYR A 6 -1.766 6.668 -3.464 1.00 0.00 C ATOM 100 C TYR A 6 -2.621 5.667 -4.240 1.00 0.00 C ATOM 101 O TYR A 6 -2.271 5.232 -5.320 1.00 0.00 O ATOM 102 CB TYR A 6 -1.695 8.012 -4.194 1.00 0.00 C ATOM 103 CG TYR A 6 -3.005 8.777 -4.230 1.00 0.00 C ATOM 104 CD1 TYR A 6 -3.675 9.080 -3.029 1.00 0.00 C ATOM 105 CD2 TYR A 6 -3.549 9.206 -5.456 1.00 0.00 C ATOM 106 CE1 TYR A 6 -4.889 9.781 -3.057 1.00 0.00 C ATOM 107 CE2 TYR A 6 -4.769 9.900 -5.483 1.00 0.00 C ATOM 108 CZ TYR A 6 -5.455 10.188 -4.283 1.00 0.00 C ATOM 109 OH TYR A 6 -6.649 10.842 -4.294 1.00 0.00 O ATOM 0 H TYR A 6 -0.089 5.671 -4.169 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.214 6.851 -2.487 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.939 8.633 -3.713 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -1.362 7.839 -5.217 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -3.253 8.772 -2.084 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -3.026 9.000 -6.378 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.395 10.011 -2.131 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.186 10.216 -6.428 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.898 11.053 -5.218 1.00 0.00 H new ATOM 119 N VAL A 7 -3.698 5.224 -3.625 1.00 0.00 N ATOM 120 CA VAL A 7 -4.673 4.169 -3.913 1.00 0.00 C ATOM 121 C VAL A 7 -6.096 4.644 -3.576 1.00 0.00 C ATOM 122 O VAL A 7 -6.568 4.455 -2.453 1.00 0.00 O ATOM 123 CB VAL A 7 -4.202 2.773 -3.418 1.00 0.00 C ATOM 124 CG1 VAL A 7 -3.465 2.976 -2.113 1.00 0.00 C ATOM 125 CG2 VAL A 7 -5.279 1.679 -3.588 1.00 0.00 C ATOM 0 H VAL A 7 -3.961 5.677 -2.750 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.736 3.978 -4.984 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.453 2.300 -4.052 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.120 2.013 -1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.608 3.630 -2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.135 3.431 -1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.891 0.727 -3.225 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.167 1.951 -3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.540 1.586 -4.642 1.00 0.00 H new ATOM 135 N PRO A 8 -6.785 5.314 -4.515 1.00 0.00 N ATOM 136 CA PRO A 8 -8.124 5.831 -4.272 1.00 0.00 C ATOM 137 C PRO A 8 -9.148 4.734 -3.940 1.00 0.00 C ATOM 138 O PRO A 8 -10.192 5.047 -3.365 1.00 0.00 O ATOM 139 CB PRO A 8 -8.499 6.658 -5.500 1.00 0.00 C ATOM 140 CG PRO A 8 -7.570 6.162 -6.605 1.00 0.00 C ATOM 141 CD PRO A 8 -6.394 5.484 -5.908 1.00 0.00 C ATOM 0 HA PRO A 8 -8.133 6.455 -3.378 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.545 6.514 -5.769 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.361 7.723 -5.316 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.087 5.463 -7.262 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.228 6.990 -7.226 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.171 4.522 -6.369 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.493 6.092 -5.987 1.00 0.00 H new ATOM 149 N ASP A 9 -8.858 3.467 -4.248 1.00 0.00 N ATOM 150 CA ASP A 9 -9.749 2.330 -4.016 1.00 0.00 C ATOM 151 C ASP A 9 -9.823 1.956 -2.545 1.00 0.00 C ATOM 152 O ASP A 9 -10.771 1.292 -2.119 1.00 0.00 O ATOM 153 CB ASP A 9 -9.266 1.120 -4.827 1.00 0.00 C ATOM 154 CG ASP A 9 -9.182 1.463 -6.307 1.00 0.00 C ATOM 155 OD1 ASP A 9 -10.254 1.560 -6.943 1.00 0.00 O ATOM 156 OD2 ASP A 9 -8.061 1.780 -6.767 1.00 0.00 O ATOM 0 H ASP A 9 -7.973 3.198 -4.677 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.748 2.624 -4.337 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.288 0.801 -4.466 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -9.948 0.282 -4.681 1.00 0.00 H new ATOM 161 N ILE A 10 -8.880 2.427 -1.723 1.00 0.00 N ATOM 162 CA ILE A 10 -8.910 2.203 -0.282 1.00 0.00 C ATOM 163 C ILE A 10 -9.990 3.087 0.396 1.00 0.00 C ATOM 164 O ILE A 10 -10.026 3.196 1.615 1.00 0.00 O ATOM 165 CB ILE A 10 -7.494 2.314 0.336 1.00 0.00 C ATOM 166 CG1 ILE A 10 -6.356 1.771 -0.580 1.00 0.00 C ATOM 167 CG2 ILE A 10 -7.425 1.608 1.715 1.00 0.00 C ATOM 168 CD1 ILE A 10 -5.011 1.523 0.062 1.00 0.00 C ATOM 0 H ILE A 10 -8.079 2.972 -2.041 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.218 1.176 -0.086 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.324 3.384 0.455 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.697 0.835 -1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.215 2.478 -1.398 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.419 1.703 2.123 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.138 2.071 2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.670 0.552 1.596 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.314 1.147 -0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.629 2.455 0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.118 0.787 0.859 1.00 0.00 H new ATOM 180 N SER A 11 -10.912 3.687 -0.364 1.00 0.00 N ATOM 181 CA SER A 11 -11.999 4.542 0.113 1.00 0.00 C ATOM 182 C SER A 11 -12.941 3.870 1.127 1.00 0.00 C ATOM 183 O SER A 11 -13.772 4.561 1.721 1.00 0.00 O ATOM 184 CB SER A 11 -12.809 5.035 -1.099 1.00 0.00 C ATOM 185 OG SER A 11 -12.850 6.450 -1.144 1.00 0.00 O ATOM 0 H SER A 11 -10.919 3.583 -1.379 1.00 0.00 H new ATOM 0 HA SER A 11 -11.532 5.368 0.649 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.365 4.652 -2.017 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.824 4.640 -1.047 1.00 0.00 H new ATOM 0 HG SER A 11 -13.369 6.738 -1.924 1.00 0.00 H new ATOM 191 N CYS A 12 -12.873 2.548 1.323 1.00 0.00 N ATOM 192 CA CYS A 12 -13.661 1.850 2.338 1.00 0.00 C ATOM 193 C CYS A 12 -12.766 1.007 3.251 1.00 0.00 C ATOM 194 O CYS A 12 -11.685 0.573 2.860 1.00 0.00 O ATOM 195 CB CYS A 12 -14.731 0.987 1.663 1.00 0.00 C ATOM 196 SG CYS A 12 -15.808 1.980 0.590 1.00 0.00 S ATOM 0 H CYS A 12 -12.267 1.933 0.779 1.00 0.00 H new ATOM 0 HA CYS A 12 -14.156 2.592 2.965 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -14.251 0.205 1.075 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -15.332 0.490 2.424 1.00 0.00 H new ATOM 0 HG CYS A 12 -16.698 1.211 0.037 1.00 0.00 H new ATOM 202 N ASN A 13 -13.212 0.716 4.474 1.00 0.00 N ATOM 203 CA ASN A 13 -12.343 0.080 5.465 1.00 0.00 C ATOM 204 C ASN A 13 -12.043 -1.381 5.123 1.00 0.00 C ATOM 205 O ASN A 13 -10.945 -1.857 5.413 1.00 0.00 O ATOM 206 CB ASN A 13 -12.951 0.189 6.862 1.00 0.00 C ATOM 207 CG ASN A 13 -12.002 -0.390 7.903 1.00 0.00 C ATOM 208 OD1 ASN A 13 -11.146 0.300 8.444 1.00 0.00 O ATOM 209 ND2 ASN A 13 -12.109 -1.668 8.208 1.00 0.00 N ATOM 0 H ASN A 13 -14.159 0.908 4.800 1.00 0.00 H new ATOM 0 HA ASN A 13 -11.394 0.615 5.448 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -13.161 1.233 7.093 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -13.903 -0.342 6.893 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.479 -2.083 8.895 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -12.822 -2.242 7.757 1.00 0.00 H new ATOM 216 N HIS A 14 -12.964 -2.106 4.479 1.00 0.00 N ATOM 217 CA HIS A 14 -12.680 -3.468 4.018 1.00 0.00 C ATOM 218 C HIS A 14 -11.541 -3.480 3.001 1.00 0.00 C ATOM 219 O HIS A 14 -10.760 -4.429 2.952 1.00 0.00 O ATOM 220 CB HIS A 14 -13.960 -4.091 3.455 1.00 0.00 C ATOM 221 CG HIS A 14 -13.896 -5.586 3.281 1.00 0.00 C ATOM 222 ND1 HIS A 14 -14.043 -6.289 2.108 1.00 0.00 N ATOM 223 CD2 HIS A 14 -13.754 -6.494 4.293 1.00 0.00 C ATOM 224 CE1 HIS A 14 -13.977 -7.597 2.407 1.00 0.00 C ATOM 225 NE2 HIS A 14 -13.795 -7.775 3.732 1.00 0.00 N ATOM 0 H HIS A 14 -13.905 -1.775 4.267 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.347 -4.072 4.862 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -14.790 -3.849 4.118 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -14.179 -3.634 2.490 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -13.632 -6.263 5.341 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -14.058 -8.397 1.686 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -13.705 -8.664 4.225 1.00 0.00 H new ATOM 233 N CYS A 15 -11.393 -2.396 2.241 1.00 0.00 N ATOM 234 CA CYS A 15 -10.308 -2.223 1.304 1.00 0.00 C ATOM 235 C CYS A 15 -8.966 -2.260 2.034 1.00 0.00 C ATOM 236 O CYS A 15 -8.048 -2.892 1.533 1.00 0.00 O ATOM 237 CB CYS A 15 -10.516 -0.939 0.497 1.00 0.00 C ATOM 238 SG CYS A 15 -12.203 -0.912 -0.173 1.00 0.00 S ATOM 0 H CYS A 15 -12.039 -1.607 2.267 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.297 -3.048 0.592 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.351 -0.068 1.131 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.790 -0.885 -0.314 1.00 0.00 H new ATOM 0 HG CYS A 15 -12.267 -0.062 -1.154 1.00 0.00 H new ATOM 244 N LYS A 16 -8.824 -1.688 3.239 1.00 0.00 N ATOM 245 CA LYS A 16 -7.555 -1.742 3.980 1.00 0.00 C ATOM 246 C LYS A 16 -7.055 -3.174 4.185 1.00 0.00 C ATOM 247 O LYS A 16 -5.870 -3.420 3.938 1.00 0.00 O ATOM 248 CB LYS A 16 -7.651 -0.928 5.280 1.00 0.00 C ATOM 249 CG LYS A 16 -6.504 -1.190 6.272 1.00 0.00 C ATOM 250 CD LYS A 16 -6.347 -0.079 7.328 1.00 0.00 C ATOM 251 CE LYS A 16 -6.857 -0.441 8.726 1.00 0.00 C ATOM 252 NZ LYS A 16 -8.330 -0.432 8.808 1.00 0.00 N ATOM 0 H LYS A 16 -9.569 -1.184 3.720 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.787 -1.268 3.369 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.666 0.133 5.031 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.599 -1.155 5.769 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.679 -2.140 6.777 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.570 -1.291 5.719 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.293 0.188 7.400 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.877 0.808 6.982 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.487 -1.429 9.000 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.451 0.264 9.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.626 -0.683 9.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.685 0.517 8.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.719 -1.124 8.136 1.00 0.00 H new ATOM 266 N MET A 17 -7.936 -4.118 4.532 1.00 0.00 N ATOM 267 CA MET A 17 -7.537 -5.517 4.660 1.00 0.00 C ATOM 268 C MET A 17 -7.001 -6.072 3.340 1.00 0.00 C ATOM 269 O MET A 17 -6.123 -6.924 3.369 1.00 0.00 O ATOM 270 CB MET A 17 -8.665 -6.397 5.203 1.00 0.00 C ATOM 271 CG MET A 17 -8.825 -6.296 6.726 1.00 0.00 C ATOM 272 SD MET A 17 -9.862 -7.581 7.488 1.00 0.00 S ATOM 273 CE MET A 17 -11.477 -7.146 6.799 1.00 0.00 C ATOM 0 H MET A 17 -8.921 -3.938 4.727 1.00 0.00 H new ATOM 0 HA MET A 17 -6.728 -5.541 5.391 1.00 0.00 H new ATOM 0 HB2 MET A 17 -9.602 -6.112 4.725 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.471 -7.435 4.932 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.836 -6.334 7.182 1.00 0.00 H new ATOM 0 HG3 MET A 17 -9.249 -5.321 6.966 1.00 0.00 H new ATOM 0 HE1 MET A 17 -12.265 -7.553 7.433 1.00 0.00 H new ATOM 0 HE2 MET A 17 -11.573 -6.061 6.753 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.568 -7.561 5.795 1.00 0.00 H new ATOM 283 N ARG A 18 -7.463 -5.608 2.173 1.00 0.00 N ATOM 284 CA ARG A 18 -7.009 -6.153 0.891 1.00 0.00 C ATOM 285 C ARG A 18 -5.507 -5.933 0.736 1.00 0.00 C ATOM 286 O ARG A 18 -4.744 -6.874 0.505 1.00 0.00 O ATOM 287 CB ARG A 18 -7.824 -5.590 -0.272 1.00 0.00 C ATOM 288 CG ARG A 18 -9.147 -6.354 -0.238 1.00 0.00 C ATOM 289 CD ARG A 18 -10.322 -5.702 -0.909 1.00 0.00 C ATOM 290 NE ARG A 18 -10.319 -5.910 -2.365 1.00 0.00 N ATOM 291 CZ ARG A 18 -11.360 -6.267 -3.125 1.00 0.00 C ATOM 292 NH1 ARG A 18 -12.606 -6.201 -2.671 1.00 0.00 N ATOM 293 NH2 ARG A 18 -11.157 -6.711 -4.355 1.00 0.00 N ATOM 0 H ARG A 18 -8.149 -4.858 2.091 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.181 -7.229 0.876 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.985 -4.518 -0.158 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.309 -5.736 -1.221 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.989 -7.328 -0.701 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.408 -6.535 0.805 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.245 -6.101 -0.489 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.312 -4.633 -0.697 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.430 -5.767 -2.845 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.786 -5.872 -1.722 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.383 -6.479 -3.271 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.208 -6.781 -4.722 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.950 -6.984 -4.936 1.00 0.00 H new ATOM 307 N ILE A 19 -5.093 -4.681 0.940 1.00 0.00 N ATOM 308 CA ILE A 19 -3.709 -4.237 0.915 1.00 0.00 C ATOM 309 C ILE A 19 -2.939 -4.994 1.982 1.00 0.00 C ATOM 310 O ILE A 19 -1.969 -5.665 1.654 1.00 0.00 O ATOM 311 CB ILE A 19 -3.596 -2.713 1.103 1.00 0.00 C ATOM 312 CG1 ILE A 19 -4.247 -1.967 -0.068 1.00 0.00 C ATOM 313 CG2 ILE A 19 -2.135 -2.251 1.172 1.00 0.00 C ATOM 314 CD1 ILE A 19 -5.740 -1.773 0.128 1.00 0.00 C ATOM 0 H ILE A 19 -5.745 -3.921 1.135 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.278 -4.453 -0.063 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.103 -2.487 2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.769 -0.994 -0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.073 -2.522 -0.990 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.101 -1.170 1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.639 -2.736 2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.625 -2.519 0.247 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.153 -1.240 -0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.224 -2.745 0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.916 -1.194 1.035 1.00 0.00 H new ATOM 326 N SER A 20 -3.343 -4.896 3.251 1.00 0.00 N ATOM 327 CA SER A 20 -2.540 -5.426 4.344 1.00 0.00 C ATOM 328 C SER A 20 -2.384 -6.915 4.230 1.00 0.00 C ATOM 329 O SER A 20 -1.334 -7.416 4.617 1.00 0.00 O ATOM 330 CB SER A 20 -3.212 -5.173 5.665 1.00 0.00 C ATOM 331 OG SER A 20 -2.441 -5.536 6.789 1.00 0.00 O ATOM 0 H SER A 20 -4.217 -4.457 3.541 1.00 0.00 H new ATOM 0 HA SER A 20 -1.572 -4.929 4.288 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.460 -4.114 5.736 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.153 -5.723 5.692 1.00 0.00 H new ATOM 0 HG SER A 20 -3.028 -5.647 7.566 1.00 0.00 H new ATOM 337 N LYS A 21 -3.399 -7.638 3.745 1.00 0.00 N ATOM 338 CA LYS A 21 -3.235 -9.069 3.621 1.00 0.00 C ATOM 339 C LYS A 21 -2.035 -9.312 2.695 1.00 0.00 C ATOM 340 O LYS A 21 -1.077 -9.986 3.059 1.00 0.00 O ATOM 341 CB LYS A 21 -4.506 -9.751 3.082 1.00 0.00 C ATOM 342 CG LYS A 21 -5.619 -9.958 4.119 1.00 0.00 C ATOM 343 CD LYS A 21 -5.299 -11.045 5.151 1.00 0.00 C ATOM 344 CE LYS A 21 -6.503 -11.280 6.066 1.00 0.00 C ATOM 345 NZ LYS A 21 -7.552 -12.107 5.441 1.00 0.00 N ATOM 0 H LYS A 21 -4.301 -7.267 3.447 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.057 -9.509 4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.901 -9.153 2.261 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.232 -10.721 2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.800 -9.017 4.639 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.542 -10.220 3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.034 -11.972 4.642 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.435 -10.749 5.745 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.166 -11.763 6.983 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.929 -10.318 6.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.340 -12.231 6.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.898 -11.637 4.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.159 -13.037 5.193 1.00 0.00 H new ATOM 359 N ALA A 22 -2.076 -8.625 1.549 1.00 0.00 N ATOM 360 CA ALA A 22 -1.022 -8.529 0.554 1.00 0.00 C ATOM 361 C ALA A 22 0.289 -7.901 1.056 1.00 0.00 C ATOM 362 O ALA A 22 1.276 -7.981 0.332 1.00 0.00 O ATOM 363 CB ALA A 22 -1.566 -7.786 -0.674 1.00 0.00 C ATOM 0 H ALA A 22 -2.902 -8.090 1.282 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.741 -9.549 0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.783 -7.708 -1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.413 -8.335 -1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.889 -6.787 -0.381 1.00 0.00 H new ATOM 369 N LEU A 23 0.350 -7.264 2.232 1.00 0.00 N ATOM 370 CA LEU A 23 1.574 -6.684 2.779 1.00 0.00 C ATOM 371 C LEU A 23 2.178 -7.620 3.819 1.00 0.00 C ATOM 372 O LEU A 23 3.376 -7.897 3.796 1.00 0.00 O ATOM 373 CB LEU A 23 1.232 -5.321 3.391 1.00 0.00 C ATOM 374 CG LEU A 23 1.010 -4.197 2.369 1.00 0.00 C ATOM 375 CD1 LEU A 23 0.746 -2.918 3.149 1.00 0.00 C ATOM 376 CD2 LEU A 23 2.174 -3.985 1.399 1.00 0.00 C ATOM 0 H LEU A 23 -0.463 -7.137 2.835 1.00 0.00 H new ATOM 0 HA LEU A 23 2.315 -6.548 1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.332 -5.426 3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.038 -5.028 4.064 1.00 0.00 H new ATOM 0 HG LEU A 23 0.166 -4.482 1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.583 -2.095 2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.139 -3.048 3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.605 -2.694 3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.933 -3.173 0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.073 -3.731 1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.346 -4.900 0.832 1.00 0.00 H new ATOM 388 N GLU A 24 1.367 -8.115 4.748 1.00 0.00 N ATOM 389 CA GLU A 24 1.820 -9.061 5.756 1.00 0.00 C ATOM 390 C GLU A 24 2.342 -10.354 5.120 1.00 0.00 C ATOM 391 O GLU A 24 3.242 -10.969 5.691 1.00 0.00 O ATOM 392 CB GLU A 24 0.732 -9.334 6.808 1.00 0.00 C ATOM 393 CG GLU A 24 0.444 -8.089 7.671 1.00 0.00 C ATOM 394 CD GLU A 24 -0.379 -8.394 8.928 1.00 0.00 C ATOM 395 OE1 GLU A 24 -1.331 -9.207 8.832 1.00 0.00 O ATOM 396 OE2 GLU A 24 -0.200 -7.733 9.976 1.00 0.00 O ATOM 0 H GLU A 24 0.379 -7.871 4.822 1.00 0.00 H new ATOM 0 HA GLU A 24 2.659 -8.602 6.280 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.184 -9.650 6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.046 -10.157 7.450 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.390 -7.635 7.967 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.088 -7.353 7.068 1.00 0.00 H new ATOM 403 N GLU A 25 1.839 -10.772 3.954 1.00 0.00 N ATOM 404 CA GLU A 25 2.405 -11.893 3.196 1.00 0.00 C ATOM 405 C GLU A 25 3.701 -11.511 2.506 1.00 0.00 C ATOM 406 O GLU A 25 4.573 -12.357 2.332 1.00 0.00 O ATOM 407 CB GLU A 25 1.406 -12.389 2.138 1.00 0.00 C ATOM 408 CG GLU A 25 1.158 -11.442 0.956 1.00 0.00 C ATOM 409 CD GLU A 25 0.071 -11.930 -0.007 1.00 0.00 C ATOM 410 OE1 GLU A 25 -1.134 -11.907 0.334 1.00 0.00 O ATOM 411 OE2 GLU A 25 0.438 -12.252 -1.163 1.00 0.00 O ATOM 0 H GLU A 25 1.028 -10.343 3.509 1.00 0.00 H new ATOM 0 HA GLU A 25 2.613 -12.687 3.913 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.763 -13.342 1.747 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.453 -12.584 2.629 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.877 -10.462 1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.089 -11.313 0.404 1.00 0.00 H new ATOM 418 N LEU A 26 3.809 -10.250 2.083 1.00 0.00 N ATOM 419 CA LEU A 26 4.867 -9.766 1.228 1.00 0.00 C ATOM 420 C LEU A 26 6.183 -9.694 2.009 1.00 0.00 C ATOM 421 O LEU A 26 7.261 -9.633 1.431 1.00 0.00 O ATOM 422 CB LEU A 26 4.409 -8.390 0.709 1.00 0.00 C ATOM 423 CG LEU A 26 5.428 -7.526 -0.029 1.00 0.00 C ATOM 424 CD1 LEU A 26 5.866 -8.077 -1.386 1.00 0.00 C ATOM 425 CD2 LEU A 26 4.818 -6.143 -0.270 1.00 0.00 C ATOM 0 H LEU A 26 3.138 -9.526 2.339 1.00 0.00 H new ATOM 0 HA LEU A 26 5.055 -10.432 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.562 -8.550 0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.041 -7.818 1.561 1.00 0.00 H new ATOM 0 HG LEU A 26 6.312 -7.500 0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.590 -7.399 -1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.323 -9.057 -1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.998 -8.168 -2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.537 -5.515 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.914 -6.244 -0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.568 -5.684 0.686 1.00 0.00 H new ATOM 437 N GLY A 27 6.092 -9.671 3.340 1.00 0.00 N ATOM 438 CA GLY A 27 7.226 -9.632 4.241 1.00 0.00 C ATOM 439 C GLY A 27 7.491 -8.227 4.781 1.00 0.00 C ATOM 440 O GLY A 27 8.569 -7.989 5.324 1.00 0.00 O ATOM 0 H GLY A 27 5.196 -9.679 3.827 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.048 -10.311 5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.113 -9.992 3.720 1.00 0.00 H new ATOM 444 N VAL A 28 6.555 -7.280 4.629 1.00 0.00 N ATOM 445 CA VAL A 28 6.725 -5.941 5.195 1.00 0.00 C ATOM 446 C VAL A 28 6.863 -6.070 6.730 1.00 0.00 C ATOM 447 O VAL A 28 6.334 -7.018 7.326 1.00 0.00 O ATOM 448 CB VAL A 28 5.525 -5.055 4.782 1.00 0.00 C ATOM 449 CG1 VAL A 28 4.275 -5.264 5.636 1.00 0.00 C ATOM 450 CG2 VAL A 28 5.925 -3.577 4.774 1.00 0.00 C ATOM 0 H VAL A 28 5.680 -7.417 4.123 1.00 0.00 H new ATOM 0 HA VAL A 28 7.627 -5.462 4.814 1.00 0.00 H new ATOM 0 HB VAL A 28 5.256 -5.370 3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.480 -4.607 5.284 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.950 -6.302 5.558 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.502 -5.032 6.677 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.068 -2.970 4.481 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.254 -3.284 5.771 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.738 -3.424 4.064 1.00 0.00 H new ATOM 460 N LYS A 29 7.441 -5.078 7.410 1.00 0.00 N ATOM 461 CA LYS A 29 7.475 -5.022 8.883 1.00 0.00 C ATOM 462 C LYS A 29 6.954 -3.711 9.459 1.00 0.00 C ATOM 463 O LYS A 29 6.534 -3.685 10.620 1.00 0.00 O ATOM 464 CB LYS A 29 8.902 -5.329 9.368 1.00 0.00 C ATOM 465 CG LYS A 29 9.077 -6.823 9.674 1.00 0.00 C ATOM 466 CD LYS A 29 8.583 -7.204 11.084 1.00 0.00 C ATOM 467 CE LYS A 29 7.673 -8.440 11.146 1.00 0.00 C ATOM 468 NZ LYS A 29 8.264 -9.624 10.492 1.00 0.00 N ATOM 0 H LYS A 29 7.901 -4.287 6.959 1.00 0.00 H new ATOM 0 HA LYS A 29 6.788 -5.782 9.256 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.621 -5.025 8.607 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.118 -4.745 10.262 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.532 -7.408 8.933 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.130 -7.088 9.578 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.450 -7.379 11.721 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.045 -6.355 11.505 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.460 -8.676 12.189 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.720 -8.207 10.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.699 -10.466 10.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.271 -9.484 9.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.239 -9.757 10.830 1.00 0.00 H new ATOM 482 N ASN A 30 6.884 -2.652 8.655 1.00 0.00 N ATOM 483 CA ASN A 30 6.420 -1.338 9.060 1.00 0.00 C ATOM 484 C ASN A 30 5.608 -0.832 7.893 1.00 0.00 C ATOM 485 O ASN A 30 6.146 -0.646 6.802 1.00 0.00 O ATOM 486 CB ASN A 30 7.596 -0.400 9.351 1.00 0.00 C ATOM 487 CG ASN A 30 8.158 -0.587 10.740 1.00 0.00 C ATOM 488 OD1 ASN A 30 8.898 -1.532 10.994 1.00 0.00 O ATOM 489 ND2 ASN A 30 7.786 0.279 11.658 1.00 0.00 N ATOM 0 H ASN A 30 7.159 -2.692 7.674 1.00 0.00 H new ATOM 0 HA ASN A 30 5.835 -1.383 9.979 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.384 -0.573 8.618 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.270 0.633 9.231 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.114 0.177 12.618 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.169 1.053 11.409 1.00 0.00 H new ATOM 496 N TYR A 31 4.304 -0.696 8.084 1.00 0.00 N ATOM 497 CA TYR A 31 3.400 -0.210 7.069 1.00 0.00 C ATOM 498 C TYR A 31 2.155 0.302 7.745 1.00 0.00 C ATOM 499 O TYR A 31 1.815 -0.088 8.865 1.00 0.00 O ATOM 500 CB TYR A 31 3.022 -1.324 6.091 1.00 0.00 C ATOM 501 CG TYR A 31 2.112 -2.379 6.692 1.00 0.00 C ATOM 502 CD1 TYR A 31 2.601 -3.313 7.622 1.00 0.00 C ATOM 503 CD2 TYR A 31 0.741 -2.353 6.391 1.00 0.00 C ATOM 504 CE1 TYR A 31 1.724 -4.203 8.262 1.00 0.00 C ATOM 505 CE2 TYR A 31 -0.142 -3.241 7.019 1.00 0.00 C ATOM 506 CZ TYR A 31 0.347 -4.154 7.976 1.00 0.00 C ATOM 507 OH TYR A 31 -0.516 -4.969 8.627 1.00 0.00 O ATOM 0 H TYR A 31 3.844 -0.926 8.965 1.00 0.00 H new ATOM 0 HA TYR A 31 3.890 0.585 6.507 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.530 -0.883 5.224 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.932 -1.804 5.731 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.657 -3.346 7.845 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.364 -1.643 5.670 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.105 -4.923 8.971 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.193 -3.226 6.771 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.239 -5.232 8.020 1.00 0.00 H new ATOM 517 N GLU A 32 1.472 1.172 7.024 1.00 0.00 N ATOM 518 CA GLU A 32 0.383 1.986 7.516 1.00 0.00 C ATOM 519 C GLU A 32 -0.531 2.283 6.334 1.00 0.00 C ATOM 520 O GLU A 32 -0.233 3.129 5.496 1.00 0.00 O ATOM 521 CB GLU A 32 0.944 3.250 8.190 1.00 0.00 C ATOM 522 CG GLU A 32 1.459 2.939 9.608 1.00 0.00 C ATOM 523 CD GLU A 32 1.993 4.172 10.328 1.00 0.00 C ATOM 524 OE1 GLU A 32 1.202 5.116 10.552 1.00 0.00 O ATOM 525 OE2 GLU A 32 3.213 4.237 10.615 1.00 0.00 O ATOM 0 H GLU A 32 1.672 1.335 6.037 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.201 1.474 8.281 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.755 3.659 7.587 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.168 4.014 8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.651 2.503 10.195 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.248 2.190 9.546 1.00 0.00 H new ATOM 532 N VAL A 33 -1.608 1.513 6.206 1.00 0.00 N ATOM 533 CA VAL A 33 -2.658 1.758 5.223 1.00 0.00 C ATOM 534 C VAL A 33 -3.625 2.781 5.827 1.00 0.00 C ATOM 535 O VAL A 33 -4.059 2.625 6.972 1.00 0.00 O ATOM 536 CB VAL A 33 -3.364 0.438 4.868 1.00 0.00 C ATOM 537 CG1 VAL A 33 -4.489 0.669 3.846 1.00 0.00 C ATOM 538 CG2 VAL A 33 -2.396 -0.624 4.326 1.00 0.00 C ATOM 0 H VAL A 33 -1.778 0.693 6.788 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.247 2.155 4.295 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.787 0.063 5.800 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.970 -0.281 3.614 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.225 1.356 4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.071 1.096 2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.948 -1.534 4.092 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.914 -0.250 3.423 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.638 -0.843 5.078 1.00 0.00 H new ATOM 548 N SER A 34 -3.999 3.796 5.051 1.00 0.00 N ATOM 549 CA SER A 34 -4.756 4.952 5.491 1.00 0.00 C ATOM 550 C SER A 34 -6.017 5.036 4.615 1.00 0.00 C ATOM 551 O SER A 34 -5.923 5.308 3.419 1.00 0.00 O ATOM 552 CB SER A 34 -3.818 6.165 5.417 1.00 0.00 C ATOM 553 OG SER A 34 -4.185 7.132 6.378 1.00 0.00 O ATOM 0 H SER A 34 -3.770 3.831 4.058 1.00 0.00 H new ATOM 0 HA SER A 34 -5.106 4.899 6.522 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.789 5.848 5.586 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.857 6.602 4.419 1.00 0.00 H new ATOM 0 HG SER A 34 -3.427 7.729 6.547 1.00 0.00 H new ATOM 559 N VAL A 35 -7.179 4.690 5.177 1.00 0.00 N ATOM 560 CA VAL A 35 -8.465 4.571 4.480 1.00 0.00 C ATOM 561 C VAL A 35 -9.045 5.945 4.124 1.00 0.00 C ATOM 562 O VAL A 35 -9.429 6.166 2.973 1.00 0.00 O ATOM 563 CB VAL A 35 -9.438 3.754 5.366 1.00 0.00 C ATOM 564 CG1 VAL A 35 -10.904 3.728 4.902 1.00 0.00 C ATOM 565 CG2 VAL A 35 -8.978 2.296 5.489 1.00 0.00 C ATOM 0 H VAL A 35 -7.253 4.476 6.172 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.314 4.049 3.535 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.408 4.282 6.319 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.494 3.128 5.595 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.296 4.745 4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.962 3.292 3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.679 1.745 6.116 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.942 1.841 4.499 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.986 2.264 5.939 1.00 0.00 H new ATOM 575 N GLU A 36 -9.127 6.866 5.091 1.00 0.00 N ATOM 576 CA GLU A 36 -9.612 8.218 4.825 1.00 0.00 C ATOM 577 C GLU A 36 -8.678 8.860 3.817 1.00 0.00 C ATOM 578 O GLU A 36 -9.132 9.469 2.848 1.00 0.00 O ATOM 579 CB GLU A 36 -9.636 9.071 6.099 1.00 0.00 C ATOM 580 CG GLU A 36 -10.913 8.881 6.909 1.00 0.00 C ATOM 581 CD GLU A 36 -10.721 9.408 8.327 1.00 0.00 C ATOM 582 OE1 GLU A 36 -10.319 10.585 8.529 1.00 0.00 O ATOM 583 OE2 GLU A 36 -10.930 8.627 9.282 1.00 0.00 O ATOM 0 H GLU A 36 -8.863 6.697 6.062 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.632 8.159 4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.776 8.816 6.718 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.534 10.122 5.830 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.739 9.405 6.427 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.179 7.824 6.939 1.00 0.00 H new ATOM 590 N GLU A 37 -7.376 8.691 4.048 1.00 0.00 N ATOM 591 CA GLU A 37 -6.373 9.392 3.281 1.00 0.00 C ATOM 592 C GLU A 37 -6.066 8.688 1.950 1.00 0.00 C ATOM 593 O GLU A 37 -5.359 9.268 1.127 1.00 0.00 O ATOM 594 CB GLU A 37 -5.098 9.569 4.111 1.00 0.00 C ATOM 595 CG GLU A 37 -5.266 10.270 5.473 1.00 0.00 C ATOM 596 CD GLU A 37 -3.948 10.364 6.259 1.00 0.00 C ATOM 597 OE1 GLU A 37 -2.858 10.225 5.660 1.00 0.00 O ATOM 598 OE2 GLU A 37 -4.005 10.590 7.493 1.00 0.00 O ATOM 0 H GLU A 37 -7.001 8.070 4.765 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.774 10.375 3.035 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.662 8.585 4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.380 10.137 3.519 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.662 11.273 5.314 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.001 9.728 6.068 1.00 0.00 H new ATOM 605 N LYS A 38 -6.568 7.463 1.712 1.00 0.00 N ATOM 606 CA LYS A 38 -6.373 6.693 0.471 1.00 0.00 C ATOM 607 C LYS A 38 -4.891 6.530 0.121 1.00 0.00 C ATOM 608 O LYS A 38 -4.514 6.331 -1.037 1.00 0.00 O ATOM 609 CB LYS A 38 -7.183 7.340 -0.666 1.00 0.00 C ATOM 610 CG LYS A 38 -8.667 7.541 -0.314 1.00 0.00 C ATOM 611 CD LYS A 38 -9.376 8.315 -1.425 1.00 0.00 C ATOM 612 CE LYS A 38 -10.676 8.930 -0.909 1.00 0.00 C ATOM 613 NZ LYS A 38 -11.421 9.560 -2.010 1.00 0.00 N ATOM 0 H LYS A 38 -7.137 6.967 2.398 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.747 5.680 0.623 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.741 8.305 -0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.109 6.716 -1.557 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.148 6.573 -0.172 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.754 8.082 0.628 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.721 9.100 -1.803 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.590 7.648 -2.260 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.289 8.160 -0.441 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.455 9.671 -0.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.302 9.973 -1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.840 10.309 -2.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.649 8.844 -2.729 1.00 0.00 H new ATOM 627 N LYS A 39 -4.027 6.581 1.131 1.00 0.00 N ATOM 628 CA LYS A 39 -2.597 6.383 0.985 1.00 0.00 C ATOM 629 C LYS A 39 -2.261 5.052 1.624 1.00 0.00 C ATOM 630 O LYS A 39 -2.974 4.553 2.499 1.00 0.00 O ATOM 631 CB LYS A 39 -1.822 7.536 1.643 1.00 0.00 C ATOM 632 CG LYS A 39 -1.876 8.846 0.831 1.00 0.00 C ATOM 633 CD LYS A 39 -1.209 10.014 1.572 1.00 0.00 C ATOM 634 CE LYS A 39 -2.103 10.496 2.704 1.00 0.00 C ATOM 635 NZ LYS A 39 -1.447 11.443 3.617 1.00 0.00 N ATOM 0 H LYS A 39 -4.313 6.765 2.093 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.310 6.375 -0.067 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.228 7.716 2.639 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.781 7.239 1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.382 8.697 -0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.915 9.098 0.619 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.244 9.699 1.970 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.016 10.832 0.878 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.988 10.970 2.279 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.446 9.634 3.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.767 11.265 4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.416 11.319 3.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.693 12.416 3.344 1.00 0.00 H new ATOM 649 N VAL A 40 -1.129 4.504 1.227 1.00 0.00 N ATOM 650 CA VAL A 40 -0.447 3.468 1.983 1.00 0.00 C ATOM 651 C VAL A 40 0.938 4.017 2.258 1.00 0.00 C ATOM 652 O VAL A 40 1.492 4.717 1.416 1.00 0.00 O ATOM 653 CB VAL A 40 -0.403 2.167 1.162 1.00 0.00 C ATOM 654 CG1 VAL A 40 0.402 1.047 1.829 1.00 0.00 C ATOM 655 CG2 VAL A 40 -1.805 1.636 0.862 1.00 0.00 C ATOM 0 H VAL A 40 -0.652 4.766 0.364 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.953 3.222 2.916 1.00 0.00 H new ATOM 0 HB VAL A 40 0.100 2.446 0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.389 0.162 1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.431 1.375 1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.041 0.806 2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.729 0.717 0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.325 1.432 1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.362 2.380 0.293 1.00 0.00 H new ATOM 665 N VAL A 41 1.527 3.644 3.382 1.00 0.00 N ATOM 666 CA VAL A 41 2.952 3.756 3.596 1.00 0.00 C ATOM 667 C VAL A 41 3.463 2.343 3.821 1.00 0.00 C ATOM 668 O VAL A 41 2.827 1.548 4.513 1.00 0.00 O ATOM 669 CB VAL A 41 3.267 4.749 4.725 1.00 0.00 C ATOM 670 CG1 VAL A 41 4.784 4.918 4.894 1.00 0.00 C ATOM 671 CG2 VAL A 41 2.656 6.120 4.393 1.00 0.00 C ATOM 0 H VAL A 41 1.021 3.252 4.176 1.00 0.00 H new ATOM 0 HA VAL A 41 3.472 4.178 2.736 1.00 0.00 H new ATOM 0 HB VAL A 41 2.843 4.358 5.650 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.984 5.625 5.699 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.232 3.955 5.138 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.214 5.294 3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.881 6.823 5.195 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.078 6.490 3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.575 6.021 4.289 1.00 0.00 H new ATOM 681 N VAL A 42 4.587 2.028 3.195 1.00 0.00 N ATOM 682 CA VAL A 42 5.312 0.777 3.300 1.00 0.00 C ATOM 683 C VAL A 42 6.773 1.150 3.497 1.00 0.00 C ATOM 684 O VAL A 42 7.313 1.953 2.736 1.00 0.00 O ATOM 685 CB VAL A 42 5.116 -0.075 2.028 1.00 0.00 C ATOM 686 CG1 VAL A 42 3.832 -0.900 2.145 1.00 0.00 C ATOM 687 CG2 VAL A 42 5.088 0.760 0.728 1.00 0.00 C ATOM 0 H VAL A 42 5.044 2.683 2.560 1.00 0.00 H new ATOM 0 HA VAL A 42 4.950 0.173 4.132 1.00 0.00 H new ATOM 0 HB VAL A 42 5.983 -0.732 1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.701 -1.499 1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.900 -1.558 3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.979 -0.231 2.264 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.947 0.098 -0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.266 1.475 0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.031 1.297 0.620 1.00 0.00 H new ATOM 697 N GLU A 43 7.391 0.605 4.535 1.00 0.00 N ATOM 698 CA GLU A 43 8.813 0.687 4.788 1.00 0.00 C ATOM 699 C GLU A 43 9.431 -0.569 4.166 1.00 0.00 C ATOM 700 O GLU A 43 9.337 -1.662 4.737 1.00 0.00 O ATOM 701 CB GLU A 43 9.018 0.801 6.300 1.00 0.00 C ATOM 702 CG GLU A 43 10.389 1.334 6.719 1.00 0.00 C ATOM 703 CD GLU A 43 10.543 1.180 8.235 1.00 0.00 C ATOM 704 OE1 GLU A 43 9.927 1.982 8.983 1.00 0.00 O ATOM 705 OE2 GLU A 43 11.196 0.198 8.666 1.00 0.00 O ATOM 0 H GLU A 43 6.892 0.074 5.249 1.00 0.00 H new ATOM 0 HA GLU A 43 9.297 1.558 4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.248 1.455 6.709 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.873 -0.182 6.748 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.179 0.788 6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.488 2.382 6.435 1.00 0.00 H new ATOM 712 N THR A 44 9.939 -0.457 2.938 1.00 0.00 N ATOM 713 CA THR A 44 10.561 -1.562 2.230 1.00 0.00 C ATOM 714 C THR A 44 11.841 -1.093 1.526 1.00 0.00 C ATOM 715 O THR A 44 12.170 0.098 1.511 1.00 0.00 O ATOM 716 CB THR A 44 9.495 -2.206 1.325 1.00 0.00 C ATOM 717 OG1 THR A 44 9.894 -3.474 0.872 1.00 0.00 O ATOM 718 CG2 THR A 44 9.159 -1.348 0.094 1.00 0.00 C ATOM 0 H THR A 44 9.927 0.414 2.407 1.00 0.00 H new ATOM 0 HA THR A 44 10.907 -2.345 2.905 1.00 0.00 H new ATOM 0 HB THR A 44 8.607 -2.292 1.952 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.193 -3.853 0.302 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.402 -1.853 -0.506 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.778 -0.380 0.418 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.058 -1.202 -0.504 1.00 0.00 H new ATOM 726 N GLU A 45 12.556 -2.027 0.896 1.00 0.00 N ATOM 727 CA GLU A 45 13.721 -1.759 0.060 1.00 0.00 C ATOM 728 C GLU A 45 13.442 -2.081 -1.416 1.00 0.00 C ATOM 729 O GLU A 45 14.294 -1.831 -2.266 1.00 0.00 O ATOM 730 CB GLU A 45 14.908 -2.575 0.590 1.00 0.00 C ATOM 731 CG GLU A 45 16.263 -1.952 0.223 1.00 0.00 C ATOM 732 CD GLU A 45 17.359 -3.003 0.086 1.00 0.00 C ATOM 733 OE1 GLU A 45 17.401 -3.954 0.898 1.00 0.00 O ATOM 734 OE2 GLU A 45 18.178 -2.867 -0.847 1.00 0.00 O ATOM 0 H GLU A 45 12.331 -3.020 0.957 1.00 0.00 H new ATOM 0 HA GLU A 45 13.959 -0.696 0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.832 -2.658 1.674 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.857 -3.587 0.188 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.168 -1.404 -0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.548 -1.229 0.987 1.00 0.00 H new ATOM 741 N ASN A 46 12.274 -2.633 -1.765 1.00 0.00 N ATOM 742 CA ASN A 46 11.903 -2.806 -3.165 1.00 0.00 C ATOM 743 C ASN A 46 10.463 -2.371 -3.372 1.00 0.00 C ATOM 744 O ASN A 46 9.532 -3.144 -3.142 1.00 0.00 O ATOM 745 CB ASN A 46 12.172 -4.230 -3.674 1.00 0.00 C ATOM 746 CG ASN A 46 11.982 -4.360 -5.187 1.00 0.00 C ATOM 747 OD1 ASN A 46 12.061 -3.289 -5.967 1.00 0.00 O flip ATOM 748 ND2 ASN A 46 11.802 -5.463 -5.702 1.00 0.00 N flip ATOM 0 H ASN A 46 11.577 -2.964 -1.098 1.00 0.00 H new ATOM 0 HA ASN A 46 12.542 -2.163 -3.771 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.190 -4.519 -3.413 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.504 -4.926 -3.167 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.739 -6.295 -5.116 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.716 -5.545 -6.715 1.00 0.00 H new ATOM 755 N LEU A 47 10.286 -1.113 -3.777 1.00 0.00 N ATOM 756 CA LEU A 47 8.979 -0.511 -4.002 1.00 0.00 C ATOM 757 C LEU A 47 8.197 -1.303 -5.048 1.00 0.00 C ATOM 758 O LEU A 47 7.012 -1.547 -4.835 1.00 0.00 O ATOM 759 CB LEU A 47 9.140 0.966 -4.407 1.00 0.00 C ATOM 760 CG LEU A 47 7.795 1.661 -4.700 1.00 0.00 C ATOM 761 CD1 LEU A 47 6.832 1.603 -3.508 1.00 0.00 C ATOM 762 CD2 LEU A 47 8.007 3.125 -5.089 1.00 0.00 C ATOM 0 H LEU A 47 11.062 -0.476 -3.960 1.00 0.00 H new ATOM 0 HA LEU A 47 8.407 -0.543 -3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.653 1.502 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.774 1.027 -5.291 1.00 0.00 H new ATOM 0 HG LEU A 47 7.349 1.115 -5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.901 2.107 -3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.624 0.563 -3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.285 2.099 -2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.043 3.591 -5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.501 3.651 -4.272 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.629 3.178 -5.983 1.00 0.00 H new ATOM 774 N ASP A 48 8.859 -1.760 -6.118 1.00 0.00 N ATOM 775 CA ASP A 48 8.251 -2.581 -7.172 1.00 0.00 C ATOM 776 C ASP A 48 7.512 -3.774 -6.570 1.00 0.00 C ATOM 777 O ASP A 48 6.375 -4.036 -6.941 1.00 0.00 O ATOM 778 CB ASP A 48 9.315 -3.063 -8.171 1.00 0.00 C ATOM 779 CG ASP A 48 8.717 -3.894 -9.312 1.00 0.00 C ATOM 780 OD1 ASP A 48 8.118 -3.309 -10.242 1.00 0.00 O ATOM 781 OD2 ASP A 48 8.918 -5.126 -9.340 1.00 0.00 O ATOM 0 H ASP A 48 9.848 -1.567 -6.278 1.00 0.00 H new ATOM 0 HA ASP A 48 7.531 -1.962 -7.707 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.834 -2.200 -8.588 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.060 -3.659 -7.644 1.00 0.00 H new ATOM 786 N SER A 49 8.103 -4.429 -5.566 1.00 0.00 N ATOM 787 CA SER A 49 7.525 -5.590 -4.900 1.00 0.00 C ATOM 788 C SER A 49 6.146 -5.264 -4.314 1.00 0.00 C ATOM 789 O SER A 49 5.209 -6.052 -4.470 1.00 0.00 O ATOM 790 CB SER A 49 8.518 -6.111 -3.856 1.00 0.00 C ATOM 791 OG SER A 49 8.425 -7.507 -3.653 1.00 0.00 O ATOM 0 H SER A 49 9.012 -4.159 -5.190 1.00 0.00 H new ATOM 0 HA SER A 49 7.352 -6.387 -5.623 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.531 -5.862 -4.171 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.343 -5.599 -2.910 1.00 0.00 H new ATOM 0 HG SER A 49 9.081 -7.784 -2.980 1.00 0.00 H new ATOM 797 N VAL A 50 5.996 -4.085 -3.704 1.00 0.00 N ATOM 798 CA VAL A 50 4.716 -3.610 -3.205 1.00 0.00 C ATOM 799 C VAL A 50 3.817 -3.220 -4.394 1.00 0.00 C ATOM 800 O VAL A 50 2.683 -3.691 -4.455 1.00 0.00 O ATOM 801 CB VAL A 50 4.926 -2.442 -2.215 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.551 -1.929 -1.755 1.00 0.00 C ATOM 803 CG2 VAL A 50 5.808 -2.759 -0.985 1.00 0.00 C ATOM 0 H VAL A 50 6.766 -3.435 -3.545 1.00 0.00 H new ATOM 0 HA VAL A 50 4.212 -4.404 -2.653 1.00 0.00 H new ATOM 0 HB VAL A 50 5.482 -1.683 -2.765 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.686 -1.104 -1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.984 -1.583 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.007 -2.736 -1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.890 -1.872 -0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.356 -3.568 -0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.801 -3.061 -1.318 1.00 0.00 H new ATOM 813 N LEU A 51 4.270 -2.360 -5.319 1.00 0.00 N ATOM 814 CA LEU A 51 3.435 -1.809 -6.399 1.00 0.00 C ATOM 815 C LEU A 51 2.803 -2.924 -7.229 1.00 0.00 C ATOM 816 O LEU A 51 1.605 -2.878 -7.519 1.00 0.00 O ATOM 817 CB LEU A 51 4.244 -0.891 -7.336 1.00 0.00 C ATOM 818 CG LEU A 51 4.769 0.416 -6.719 1.00 0.00 C ATOM 819 CD1 LEU A 51 5.594 1.182 -7.759 1.00 0.00 C ATOM 820 CD2 LEU A 51 3.659 1.331 -6.193 1.00 0.00 C ATOM 0 H LEU A 51 5.233 -2.025 -5.339 1.00 0.00 H new ATOM 0 HA LEU A 51 2.653 -1.222 -5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.095 -1.455 -7.718 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.619 -0.639 -8.192 1.00 0.00 H new ATOM 0 HG LEU A 51 5.382 0.129 -5.864 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.965 2.108 -7.319 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.437 0.569 -8.078 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.968 1.415 -8.620 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.101 2.234 -5.772 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.992 1.601 -7.012 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.093 0.810 -5.421 1.00 0.00 H new ATOM 832 N LYS A 52 3.606 -3.936 -7.555 1.00 0.00 N ATOM 833 CA LYS A 52 3.219 -5.157 -8.243 1.00 0.00 C ATOM 834 C LYS A 52 2.083 -5.820 -7.497 1.00 0.00 C ATOM 835 O LYS A 52 1.061 -6.112 -8.111 1.00 0.00 O ATOM 836 CB LYS A 52 4.419 -6.109 -8.316 1.00 0.00 C ATOM 837 CG LYS A 52 5.473 -5.692 -9.356 1.00 0.00 C ATOM 838 CD LYS A 52 5.164 -6.158 -10.781 1.00 0.00 C ATOM 839 CE LYS A 52 5.107 -7.687 -10.912 1.00 0.00 C ATOM 840 NZ LYS A 52 4.439 -8.086 -12.160 1.00 0.00 N ATOM 0 H LYS A 52 4.601 -3.920 -7.331 1.00 0.00 H new ATOM 0 HA LYS A 52 2.892 -4.915 -9.254 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.890 -6.162 -7.335 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.063 -7.111 -8.553 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.562 -4.606 -9.352 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.442 -6.092 -9.056 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.210 -5.736 -11.097 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.925 -5.769 -11.458 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.117 -8.095 -10.890 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.574 -8.109 -10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.414 -9.124 -12.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.467 -7.715 -12.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.963 -7.702 -12.972 1.00 0.00 H new ATOM 854 N LYS A 53 2.245 -6.029 -6.189 1.00 0.00 N ATOM 855 CA LYS A 53 1.227 -6.672 -5.380 1.00 0.00 C ATOM 856 C LYS A 53 -0.058 -5.853 -5.374 1.00 0.00 C ATOM 857 O LYS A 53 -1.136 -6.438 -5.401 1.00 0.00 O ATOM 858 CB LYS A 53 1.764 -6.922 -3.965 1.00 0.00 C ATOM 859 CG LYS A 53 0.841 -7.856 -3.172 1.00 0.00 C ATOM 860 CD LYS A 53 0.894 -9.338 -3.572 1.00 0.00 C ATOM 861 CE LYS A 53 1.959 -10.045 -2.738 1.00 0.00 C ATOM 862 NZ LYS A 53 2.297 -11.386 -3.259 1.00 0.00 N ATOM 0 H LYS A 53 3.081 -5.757 -5.671 1.00 0.00 H new ATOM 0 HA LYS A 53 0.980 -7.640 -5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.761 -7.358 -4.025 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.862 -5.973 -3.439 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.093 -7.774 -2.115 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.185 -7.505 -3.284 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.078 -9.805 -3.414 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.124 -9.433 -4.633 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.860 -9.432 -2.713 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.607 -10.137 -1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.318 -11.552 -3.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.772 -12.108 -2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.038 -11.443 -4.265 1.00 0.00 H new ATOM 876 N LEU A 54 0.024 -4.524 -5.326 1.00 0.00 N ATOM 877 CA LEU A 54 -1.162 -3.674 -5.354 1.00 0.00 C ATOM 878 C LEU A 54 -1.915 -3.819 -6.682 1.00 0.00 C ATOM 879 O LEU A 54 -3.141 -3.937 -6.689 1.00 0.00 O ATOM 880 CB LEU A 54 -0.773 -2.249 -4.964 1.00 0.00 C ATOM 881 CG LEU A 54 -0.858 -2.099 -3.425 1.00 0.00 C ATOM 882 CD1 LEU A 54 0.476 -1.739 -2.816 1.00 0.00 C ATOM 883 CD2 LEU A 54 -1.948 -1.105 -3.021 1.00 0.00 C ATOM 0 H LEU A 54 0.904 -4.012 -5.267 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.889 -3.996 -4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.238 -2.029 -5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.437 -1.533 -5.448 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.136 -3.073 -3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.369 -1.644 -1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.202 -2.520 -3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.822 -0.792 -3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.981 -1.023 -1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.728 -0.128 -3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.913 -1.454 -3.388 1.00 0.00 H new ATOM 895 N GLU A 55 -1.204 -3.919 -7.801 1.00 0.00 N ATOM 896 CA GLU A 55 -1.797 -4.303 -9.078 1.00 0.00 C ATOM 897 C GLU A 55 -2.460 -5.688 -8.976 1.00 0.00 C ATOM 898 O GLU A 55 -3.617 -5.873 -9.354 1.00 0.00 O ATOM 899 CB GLU A 55 -0.692 -4.281 -10.151 1.00 0.00 C ATOM 900 CG GLU A 55 -0.832 -3.063 -11.055 1.00 0.00 C ATOM 901 CD GLU A 55 0.517 -2.500 -11.487 1.00 0.00 C ATOM 902 OE1 GLU A 55 1.277 -3.154 -12.237 1.00 0.00 O ATOM 903 OE2 GLU A 55 0.833 -1.380 -11.037 1.00 0.00 O ATOM 0 H GLU A 55 -0.202 -3.736 -7.848 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.581 -3.598 -9.355 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.286 -4.271 -9.670 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.744 -5.190 -10.750 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.409 -3.335 -11.939 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.395 -2.289 -10.533 1.00 0.00 H new ATOM 910 N GLU A 56 -1.751 -6.665 -8.405 1.00 0.00 N ATOM 911 CA GLU A 56 -2.211 -8.052 -8.272 1.00 0.00 C ATOM 912 C GLU A 56 -3.466 -8.188 -7.392 1.00 0.00 C ATOM 913 O GLU A 56 -4.192 -9.178 -7.526 1.00 0.00 O ATOM 914 CB GLU A 56 -1.097 -8.956 -7.706 1.00 0.00 C ATOM 915 CG GLU A 56 0.041 -9.185 -8.700 1.00 0.00 C ATOM 916 CD GLU A 56 1.277 -9.833 -8.066 1.00 0.00 C ATOM 917 OE1 GLU A 56 2.017 -9.201 -7.284 1.00 0.00 O ATOM 918 OE2 GLU A 56 1.534 -11.022 -8.350 1.00 0.00 O ATOM 0 H GLU A 56 -0.822 -6.512 -8.014 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.473 -8.374 -9.280 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.696 -8.505 -6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.525 -9.918 -7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.317 -9.818 -9.512 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.326 -8.230 -9.142 1.00 0.00 H new ATOM 925 N ILE A 57 -3.774 -7.216 -6.527 1.00 0.00 N ATOM 926 CA ILE A 57 -5.012 -7.180 -5.747 1.00 0.00 C ATOM 927 C ILE A 57 -6.099 -6.328 -6.433 1.00 0.00 C ATOM 928 O ILE A 57 -7.141 -6.109 -5.820 1.00 0.00 O ATOM 929 CB ILE A 57 -4.767 -6.776 -4.268 1.00 0.00 C ATOM 930 CG1 ILE A 57 -4.328 -5.317 -4.158 1.00 0.00 C ATOM 931 CG2 ILE A 57 -3.751 -7.700 -3.551 1.00 0.00 C ATOM 932 CD1 ILE A 57 -4.216 -4.773 -2.735 1.00 0.00 C ATOM 0 H ILE A 57 -3.160 -6.421 -6.348 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.398 -8.199 -5.714 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.723 -6.896 -3.759 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.360 -5.208 -4.648 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.036 -4.699 -4.710 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.621 -7.368 -2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.123 -8.724 -3.558 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.793 -7.659 -4.069 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.898 -3.731 -2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.186 -4.841 -2.242 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.484 -5.358 -2.178 1.00 0.00 H new ATOM 944 N ASP A 58 -5.919 -5.896 -7.685 1.00 0.00 N ATOM 945 CA ASP A 58 -6.822 -5.042 -8.480 1.00 0.00 C ATOM 946 C ASP A 58 -6.783 -3.564 -8.086 1.00 0.00 C ATOM 947 O ASP A 58 -7.595 -2.802 -8.595 1.00 0.00 O ATOM 948 CB ASP A 58 -8.287 -5.536 -8.414 1.00 0.00 C ATOM 949 CG ASP A 58 -9.193 -4.988 -9.520 1.00 0.00 C ATOM 950 OD1 ASP A 58 -8.767 -4.932 -10.696 1.00 0.00 O ATOM 951 OD2 ASP A 58 -10.382 -4.712 -9.221 1.00 0.00 O ATOM 0 H ASP A 58 -5.082 -6.148 -8.211 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.446 -5.125 -9.500 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.292 -6.625 -8.464 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.707 -5.259 -7.447 1.00 0.00 H new ATOM 956 N TYR A 59 -5.850 -3.122 -7.235 1.00 0.00 N ATOM 957 CA TYR A 59 -5.775 -1.748 -6.738 1.00 0.00 C ATOM 958 C TYR A 59 -4.491 -1.086 -7.254 1.00 0.00 C ATOM 959 O TYR A 59 -3.516 -0.982 -6.506 1.00 0.00 O ATOM 960 CB TYR A 59 -5.774 -1.734 -5.204 1.00 0.00 C ATOM 961 CG TYR A 59 -7.058 -1.958 -4.452 1.00 0.00 C ATOM 962 CD1 TYR A 59 -8.195 -2.552 -5.029 1.00 0.00 C ATOM 963 CD2 TYR A 59 -7.071 -1.578 -3.103 1.00 0.00 C ATOM 964 CE1 TYR A 59 -9.355 -2.753 -4.265 1.00 0.00 C ATOM 965 CE2 TYR A 59 -8.175 -1.908 -2.312 1.00 0.00 C ATOM 966 CZ TYR A 59 -9.343 -2.443 -2.891 1.00 0.00 C ATOM 967 OH TYR A 59 -10.409 -2.714 -2.099 1.00 0.00 O ATOM 0 H TYR A 59 -5.113 -3.723 -6.867 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.645 -1.197 -7.096 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.067 -2.494 -4.873 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.377 -0.769 -4.888 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.175 -2.855 -6.065 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.238 -1.037 -2.680 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.250 -3.142 -4.727 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.132 -1.751 -1.244 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.797 -1.875 -1.774 1.00 0.00 H new ATOM 977 N PRO A 60 -4.442 -0.638 -8.514 1.00 0.00 N ATOM 978 CA PRO A 60 -3.239 -0.041 -9.059 1.00 0.00 C ATOM 979 C PRO A 60 -2.980 1.274 -8.320 1.00 0.00 C ATOM 980 O PRO A 60 -3.837 2.165 -8.309 1.00 0.00 O ATOM 981 CB PRO A 60 -3.520 0.129 -10.549 1.00 0.00 C ATOM 982 CG PRO A 60 -5.044 0.259 -10.630 1.00 0.00 C ATOM 983 CD PRO A 60 -5.557 -0.549 -9.439 1.00 0.00 C ATOM 0 HA PRO A 60 -2.336 -0.638 -8.933 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.023 1.012 -10.950 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.162 -0.726 -11.122 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.358 1.301 -10.568 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.427 -0.134 -11.572 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.413 -0.060 -8.974 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -5.887 -1.540 -9.751 1.00 0.00 H new ATOM 991 N VAL A 61 -1.815 1.384 -7.685 1.00 0.00 N ATOM 992 CA VAL A 61 -1.346 2.612 -7.048 1.00 0.00 C ATOM 993 C VAL A 61 -1.321 3.691 -8.140 1.00 0.00 C ATOM 994 O VAL A 61 -0.682 3.539 -9.186 1.00 0.00 O ATOM 995 CB VAL A 61 0.049 2.342 -6.451 1.00 0.00 C ATOM 996 CG1 VAL A 61 0.784 3.612 -6.017 1.00 0.00 C ATOM 997 CG2 VAL A 61 -0.088 1.429 -5.227 1.00 0.00 C ATOM 0 H VAL A 61 -1.159 0.608 -7.597 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.989 2.947 -6.234 1.00 0.00 H new ATOM 0 HB VAL A 61 0.635 1.875 -7.243 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.758 3.346 -5.607 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.919 4.266 -6.878 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.199 4.129 -5.257 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.898 1.237 -4.804 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.716 1.914 -4.479 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.544 0.485 -5.526 1.00 0.00 H new ATOM 1007 N GLU A 62 -2.065 4.765 -7.914 1.00 0.00 N ATOM 1008 CA GLU A 62 -2.176 5.899 -8.823 1.00 0.00 C ATOM 1009 C GLU A 62 -0.845 6.660 -8.890 1.00 0.00 C ATOM 1010 O GLU A 62 -0.299 6.848 -9.976 1.00 0.00 O ATOM 1011 CB GLU A 62 -3.329 6.806 -8.376 1.00 0.00 C ATOM 1012 CG GLU A 62 -3.629 7.881 -9.433 1.00 0.00 C ATOM 1013 CD GLU A 62 -4.975 8.588 -9.225 1.00 0.00 C ATOM 1014 OE1 GLU A 62 -6.028 7.921 -9.277 1.00 0.00 O ATOM 1015 OE2 GLU A 62 -4.999 9.830 -9.061 1.00 0.00 O ATOM 0 H GLU A 62 -2.625 4.875 -7.068 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.397 5.542 -9.829 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.221 6.205 -8.200 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.075 7.283 -7.430 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.832 8.624 -9.420 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.619 7.420 -10.421 1.00 0.00 H new ATOM 1022 N SER A 63 -0.280 7.047 -7.740 1.00 0.00 N ATOM 1023 CA SER A 63 0.989 7.772 -7.638 1.00 0.00 C ATOM 1024 C SER A 63 1.722 7.322 -6.362 1.00 0.00 C ATOM 1025 O SER A 63 1.139 6.606 -5.545 1.00 0.00 O ATOM 1026 CB SER A 63 0.726 9.288 -7.608 1.00 0.00 C ATOM 1027 OG SER A 63 -0.185 9.745 -8.596 1.00 0.00 O ATOM 0 H SER A 63 -0.705 6.859 -6.832 1.00 0.00 H new ATOM 0 HA SER A 63 1.613 7.552 -8.504 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.342 9.558 -6.624 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.674 9.811 -7.735 1.00 0.00 H new ATOM 0 HG SER A 63 -0.300 10.714 -8.511 1.00 0.00 H new ATOM 1033 N TYR A 64 2.984 7.712 -6.161 1.00 0.00 N ATOM 1034 CA TYR A 64 3.742 7.414 -4.949 1.00 0.00 C ATOM 1035 C TYR A 64 4.739 8.543 -4.648 1.00 0.00 C ATOM 1036 O TYR A 64 4.895 9.462 -5.454 1.00 0.00 O ATOM 1037 CB TYR A 64 4.437 6.044 -5.059 1.00 0.00 C ATOM 1038 CG TYR A 64 5.364 5.904 -6.250 1.00 0.00 C ATOM 1039 CD1 TYR A 64 6.670 6.430 -6.204 1.00 0.00 C ATOM 1040 CD2 TYR A 64 4.908 5.266 -7.420 1.00 0.00 C ATOM 1041 CE1 TYR A 64 7.504 6.347 -7.331 1.00 0.00 C ATOM 1042 CE2 TYR A 64 5.746 5.168 -8.542 1.00 0.00 C ATOM 1043 CZ TYR A 64 7.046 5.718 -8.507 1.00 0.00 C ATOM 1044 OH TYR A 64 7.850 5.650 -9.600 1.00 0.00 O ATOM 0 H TYR A 64 3.512 8.251 -6.847 1.00 0.00 H new ATOM 0 HA TYR A 64 3.050 7.355 -4.109 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.008 5.866 -4.147 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.674 5.267 -5.115 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.031 6.898 -5.300 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.911 4.851 -7.454 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.499 6.766 -7.297 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.395 4.671 -9.434 1.00 0.00 H new ATOM 0 HH TYR A 64 7.381 5.183 -10.323 1.00 0.00 H new ATOM 1054 N GLN A 65 5.413 8.475 -3.494 1.00 0.00 N ATOM 1055 CA GLN A 65 6.473 9.372 -3.061 1.00 0.00 C ATOM 1056 C GLN A 65 7.415 8.614 -2.133 1.00 0.00 C ATOM 1057 O GLN A 65 6.944 7.915 -1.241 1.00 0.00 O ATOM 1058 CB GLN A 65 5.885 10.572 -2.288 1.00 0.00 C ATOM 1059 CG GLN A 65 5.990 11.884 -3.052 1.00 0.00 C ATOM 1060 CD GLN A 65 7.425 12.292 -3.366 1.00 0.00 C ATOM 1061 OE1 GLN A 65 7.787 12.537 -4.512 1.00 0.00 O ATOM 1062 NE2 GLN A 65 8.309 12.379 -2.392 1.00 0.00 N ATOM 0 H GLN A 65 5.217 7.750 -2.804 1.00 0.00 H new ATOM 0 HA GLN A 65 7.005 9.736 -3.940 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.837 10.373 -2.062 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.403 10.671 -1.334 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.433 11.798 -3.985 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.515 12.674 -2.469 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.030 12.180 -1.431 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.272 12.646 -2.599 1.00 0.00 H new ATOM 1071 N GLU A 66 8.719 8.787 -2.297 1.00 0.00 N ATOM 1072 CA GLU A 66 9.766 8.442 -1.350 1.00 0.00 C ATOM 1073 C GLU A 66 9.642 9.310 -0.090 1.00 0.00 C ATOM 1074 O GLU A 66 9.263 10.483 -0.206 1.00 0.00 O ATOM 1075 CB GLU A 66 11.085 8.744 -2.072 1.00 0.00 C ATOM 1076 CG GLU A 66 12.192 7.760 -1.735 1.00 0.00 C ATOM 1077 CD GLU A 66 13.377 7.989 -2.673 1.00 0.00 C ATOM 1078 OE1 GLU A 66 13.966 9.091 -2.644 1.00 0.00 O ATOM 1079 OE2 GLU A 66 13.697 7.108 -3.509 1.00 0.00 O ATOM 0 H GLU A 66 9.096 9.199 -3.151 1.00 0.00 H new ATOM 0 HA GLU A 66 9.705 7.400 -1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.913 8.733 -3.148 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.411 9.751 -1.812 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.504 7.888 -0.699 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.828 6.738 -1.834 1.00 0.00 H new ATOM 1086 N VAL A 67 9.965 8.783 1.096 1.00 0.00 N ATOM 1087 CA VAL A 67 9.885 9.501 2.374 1.00 0.00 C ATOM 1088 C VAL A 67 10.876 8.922 3.372 1.00 0.00 C ATOM 1089 O VAL A 67 11.399 7.806 3.161 1.00 0.00 O ATOM 1090 CB VAL A 67 8.450 9.491 2.957 1.00 0.00 C ATOM 1091 CG1 VAL A 67 7.658 10.750 2.596 1.00 0.00 C ATOM 1092 CG2 VAL A 67 7.633 8.280 2.502 1.00 0.00 C ATOM 0 H VAL A 67 10.297 7.824 1.197 1.00 0.00 H new ATOM 0 HA VAL A 67 10.147 10.541 2.182 1.00 0.00 H new ATOM 0 HB VAL A 67 8.598 9.446 4.036 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.660 10.689 3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.172 11.628 2.988 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.577 10.831 1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.637 8.327 2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.550 8.284 1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.129 7.365 2.824 1.00 0.00 H new