USER MOD reduce.3.24.130724 H: found=0, std=0, add=1133, rem=0, adj=56 USER MOD reduce.3.24.130724 removed 1134 hydrogens (14 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 NoAdj-H: A 126 ASNHD21 : A 126 ASN ND2 : A 161 NAG C1 :(H bumps) USER MOD Set 1.1: A 3 HIS :FLIP no HE2:sc= -18.4! C(o=-28!,f=-20!) USER MOD Set 1.2: A 13 SER OG : rot 94:sc= 0.79 USER MOD Set 1.3: A 153 LYS NZ :NH3+ -163:sc= -2.8! (180deg=-3.34!) USER MOD Set 2.1: A 146 GLN : amide:sc= -0.176 K(o=-10,f=-12!) USER MOD Set 2.2: A 147 ASN : amide:sc= -10.2! C(o=-10!,f=-13!) USER MOD Set 3.1: A 123 ASN :FLIP amide:sc= 0.229 X(o=-4.6,f=-4.3) USER MOD Set 3.2: A 124 ASN :FLIP amide:sc= -4.54! C(o=-5.7!,f=-4.3!) USER MOD Set 4.1: A 106 THR OG1 : rot 49:sc= -0.13 USER MOD Set 4.2: A 111 SER OG : rot 180:sc= -0.0224 USER MOD Set 5.1: A 86 SER OG : rot -85:sc= -1.52! USER MOD Set 5.2: A 87 ASN : amide:sc= -0.589! C(o=-2.1!,f=-11!) USER MOD Set 6.1: A 51 SER OG : rot -99:sc= 0.0454 USER MOD Set 6.2: A 95 SER OG : rot -20:sc= 0.869 USER MOD Set 7.1: A 47 TYR OH : rot -173:sc= 0.422 USER MOD Set 7.2: A 79 HIS : no HD1:sc= -0.0985 K(o=0.32,f=-1.6) USER MOD Set 8.1: A 22 GLN : amide:sc= -3.25! C(o=-8.8!,f=-14!) USER MOD Set 8.2: A 27 MET CE :methyl 173:sc= -5.5! (180deg=-5.76!) USER MOD Set 9.1: A 12 TYR OH : rot 27:sc= -0.971! USER MOD Set 9.2: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set10.1: A 16 MET CE :methyl -110:sc= -8.59! (180deg=-15.6!) USER MOD Set10.2: A 144 THR OG1 : rot 57:sc= -5.49! USER MOD Set11.1: A 1 TYR N :NH3+ -178:sc= -0.177 (180deg=-0.169) USER MOD Set11.2: A 34 ASN : amide:sc= -3.68! C(o=-3.9!,f=-5.6!) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 173:sc= -4.85! USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0768 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0.36) USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= -0.663 (180deg=-2.11!) USER MOD Single : A 26 GLN : amide:sc= -0.374 K(o=-0.37,f=-3.3!) USER MOD Single : A 30 THR OG1 : rot 68:sc= 0.322 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0145 X(o=-0.014,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 82:sc= 0.152 USER MOD Single : A 45 GLN : amide:sc= -1.61! C(o=-1.6!,f=-4.4!) USER MOD Single : A 46 THR OG1 : rot 90:sc= 1.13 USER MOD Single : A 50 ASN : amide:sc= -9.36! C(o=-9.4!,f=-24!) USER MOD Single : A 52 ASN : amide:sc= -0.0525 K(o=-0.053,f=-0.61) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0461 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.743 USER MOD Single : A 63 ASN :FLIP amide:sc= -6.4! C(o=-8.3!,f=-6.4!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 52:sc= 1.09 USER MOD Single : A 71 THR OG1 : rot 174:sc= 1.56 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.687 K(o=-0.69,f=-3.3!) USER MOD Single : A 83 SER OG : rot -107:sc= -1.54! USER MOD Single : A 84 THR OG1 : rot -151:sc= -7.88! USER MOD Single : A 85 THR OG1 : rot 100:sc= -2.06! USER MOD Single : A 88 TYR OH : rot 83:sc= 0.486 USER MOD Single : A 90 GLN : amide:sc= -0.331 K(o=-0.33,f=-2.1!) USER MOD Single : A 92 GLN :FLIP amide:sc= -0.0767 F(o=-0.87,f=-0.077) USER MOD Single : A 93 LYS NZ :NH3+ -130:sc= 0.954 (180deg=-0.974) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 100 HIS :FLIP no HD1:sc= -4.89! C(o=-8!,f=-4.9!) USER MOD Single : A 101 THR OG1 : rot 45:sc= -7.42! USER MOD Single : A 105 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.029) USER MOD Single : A 110 ASN : amide:sc= -0.216 K(o=-0.22,f=-2.1!) USER MOD Single : A 112 ASN : amide:sc= 0.105 K(o=0.11,f=-2.5!) USER MOD Single : A 117 HIS :FLIP no HD1:sc= -2.48! C(o=-3.2!,f=-2.5!) USER MOD Single : A 122 TYR OH : rot -175:sc= 0.679 USER MOD Single : A 125 HIS : no HD1:sc= -0.0993 X(o=-0.099,f=-0.0022) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0.00151 USER MOD Single : A 132 SER OG : rot 180:sc= -0.855 USER MOD Single : A 138 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 139 MET CE :methyl 145:sc= -3.3 (180deg=-6.88!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 THR OG1 : rot -80:sc= 0.267 USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= -0.0179 X(o=-0.018,f=-0.1) USER MOD Single : A 159 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 161 NAG O3 : rot 149:sc= 0.0251 USER MOD Single : A 161 NAG O4 : rot 170:sc= 0.0231 USER MOD Single : A 161 NAG O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 6.999 -0.899 23.923 1.00 0.00 N ATOM 2 CA TYR A 1 8.149 -0.040 23.537 1.00 0.00 C ATOM 3 C TYR A 1 8.750 -0.486 22.209 1.00 0.00 C ATOM 4 O TYR A 1 9.591 0.205 21.634 1.00 0.00 O ATOM 5 CB TYR A 1 9.202 -0.112 24.644 1.00 0.00 C ATOM 6 CG TYR A 1 10.315 0.901 24.490 1.00 0.00 C ATOM 7 CD1 TYR A 1 10.155 2.208 24.932 1.00 0.00 C ATOM 8 CD2 TYR A 1 11.524 0.550 23.903 1.00 0.00 C ATOM 9 CE1 TYR A 1 11.168 3.137 24.793 1.00 0.00 C ATOM 10 CE2 TYR A 1 12.542 1.473 23.760 1.00 0.00 C ATOM 11 CZ TYR A 1 12.359 2.764 24.207 1.00 0.00 C ATOM 12 OH TYR A 1 13.371 3.687 24.067 1.00 0.00 O ATOM 0 H1 TYR A 1 6.589 -0.551 24.813 1.00 0.00 H new ATOM 0 H2 TYR A 1 6.277 -0.870 23.175 1.00 0.00 H new ATOM 0 H3 TYR A 1 7.325 -1.878 24.051 1.00 0.00 H new ATOM 0 HA TYR A 1 7.803 0.986 23.411 1.00 0.00 H new ATOM 0 HB2 TYR A 1 8.715 0.040 25.607 1.00 0.00 H new ATOM 0 HB3 TYR A 1 9.633 -1.113 24.659 1.00 0.00 H new ATOM 0 HD1 TYR A 1 9.223 2.503 25.392 1.00 0.00 H new ATOM 0 HD2 TYR A 1 11.671 -0.461 23.553 1.00 0.00 H new ATOM 0 HE1 TYR A 1 11.028 4.150 25.141 1.00 0.00 H new ATOM 0 HE2 TYR A 1 13.476 1.185 23.301 1.00 0.00 H new ATOM 0 HH TYR A 1 14.143 3.264 23.636 1.00 0.00 H new ATOM 24 N GLY A 2 8.312 -1.644 21.725 1.00 0.00 N ATOM 25 CA GLY A 2 8.817 -2.161 20.467 1.00 0.00 C ATOM 26 C GLY A 2 7.731 -2.797 19.624 1.00 0.00 C ATOM 27 O GLY A 2 6.671 -2.206 19.416 1.00 0.00 O ATOM 0 H GLY A 2 7.616 -2.233 22.182 1.00 0.00 H new ATOM 0 HA2 GLY A 2 9.281 -1.351 19.905 1.00 0.00 H new ATOM 0 HA3 GLY A 2 9.596 -2.897 20.667 1.00 0.00 H new ATOM 31 N HIS A 3 7.995 -4.004 19.134 1.00 0.00 N ATOM 32 CA HIS A 3 7.032 -4.722 18.306 1.00 0.00 C ATOM 33 C HIS A 3 5.605 -4.459 18.774 1.00 0.00 C ATOM 34 O HIS A 3 5.337 -4.393 19.974 1.00 0.00 O ATOM 35 CB HIS A 3 7.316 -6.225 18.339 1.00 0.00 C ATOM 36 CG HIS A 3 7.419 -6.844 16.981 1.00 0.00 C ATOM 37 ND1 HIS A 3 6.461 -7.162 16.079 1.00 0.00 N flip ATOM 38 CD2 HIS A 3 8.619 -7.213 16.410 1.00 0.00 C flip ATOM 39 CE1 HIS A 3 7.093 -7.710 14.990 1.00 0.00 C flip ATOM 40 NE2 HIS A 3 8.394 -7.729 15.215 1.00 0.00 N flip ATOM 0 H HIS A 3 8.868 -4.506 19.296 1.00 0.00 H new ATOM 0 HA HIS A 3 7.135 -4.359 17.283 1.00 0.00 H new ATOM 0 HB2 HIS A 3 8.246 -6.399 18.880 1.00 0.00 H new ATOM 0 HB3 HIS A 3 6.524 -6.724 18.898 1.00 0.00 H new ATOM 0 HD1 HIS A 3 5.457 -7.021 16.188 1.00 0.00 H new ATOM 0 HD2 HIS A 3 9.590 -7.098 16.868 1.00 0.00 H new ATOM 0 HE1 HIS A 3 6.605 -8.067 14.095 1.00 0.00 H new ATOM 49 N CYS A 4 4.692 -4.317 17.820 1.00 0.00 N ATOM 50 CA CYS A 4 3.290 -4.071 18.133 1.00 0.00 C ATOM 51 C CYS A 4 2.467 -5.334 17.911 1.00 0.00 C ATOM 52 O CYS A 4 2.670 -6.051 16.932 1.00 0.00 O ATOM 53 CB CYS A 4 2.733 -2.930 17.276 1.00 0.00 C ATOM 54 SG CYS A 4 3.988 -2.046 16.292 1.00 0.00 S ATOM 0 H CYS A 4 4.898 -4.368 16.822 1.00 0.00 H new ATOM 0 HA CYS A 4 3.224 -3.783 19.182 1.00 0.00 H new ATOM 0 HB2 CYS A 4 1.978 -3.334 16.601 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.229 -2.215 17.927 1.00 0.00 H new ATOM 59 N VAL A 5 1.542 -5.605 18.824 1.00 0.00 N ATOM 60 CA VAL A 5 0.699 -6.788 18.717 1.00 0.00 C ATOM 61 C VAL A 5 -0.779 -6.430 18.782 1.00 0.00 C ATOM 62 O VAL A 5 -1.201 -5.625 19.613 1.00 0.00 O ATOM 63 CB VAL A 5 1.027 -7.812 19.820 1.00 0.00 C ATOM 64 CG1 VAL A 5 0.265 -9.108 19.588 1.00 0.00 C ATOM 65 CG2 VAL A 5 2.525 -8.068 19.878 1.00 0.00 C ATOM 0 H VAL A 5 1.358 -5.025 19.642 1.00 0.00 H new ATOM 0 HA VAL A 5 0.908 -7.235 17.745 1.00 0.00 H new ATOM 0 HB VAL A 5 0.714 -7.401 20.780 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.509 -9.820 20.377 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.806 -8.907 19.599 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.546 -9.527 18.622 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.740 -8.794 20.662 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.865 -8.459 18.919 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.045 -7.135 20.094 1.00 0.00 H new ATOM 75 N THR A 6 -1.560 -7.034 17.893 1.00 0.00 N ATOM 76 CA THR A 6 -2.993 -6.784 17.839 1.00 0.00 C ATOM 77 C THR A 6 -3.763 -7.823 18.647 1.00 0.00 C ATOM 78 O THR A 6 -3.369 -8.989 18.713 1.00 0.00 O ATOM 79 CB THR A 6 -3.510 -6.793 16.389 1.00 0.00 C ATOM 80 OG1 THR A 6 -3.109 -8.000 15.731 1.00 0.00 O ATOM 81 CG2 THR A 6 -2.982 -5.591 15.619 1.00 0.00 C ATOM 0 H THR A 6 -1.223 -7.701 17.199 1.00 0.00 H new ATOM 0 HA THR A 6 -3.158 -5.797 18.270 1.00 0.00 H new ATOM 0 HB THR A 6 -4.598 -6.740 16.416 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.535 -8.049 14.850 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.360 -5.619 14.597 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.314 -4.673 16.104 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.892 -5.619 15.603 1.00 0.00 H new ATOM 89 N ASP A 7 -4.862 -7.389 19.258 1.00 0.00 N ATOM 90 CA ASP A 7 -5.697 -8.270 20.069 1.00 0.00 C ATOM 91 C ASP A 7 -6.033 -9.560 19.324 1.00 0.00 C ATOM 92 O ASP A 7 -6.390 -10.564 19.940 1.00 0.00 O ATOM 93 CB ASP A 7 -6.986 -7.553 20.473 1.00 0.00 C ATOM 94 CG ASP A 7 -7.447 -6.558 19.427 1.00 0.00 C ATOM 95 OD1 ASP A 7 -6.925 -5.423 19.416 1.00 0.00 O ATOM 96 OD2 ASP A 7 -8.331 -6.913 18.618 1.00 0.00 O ATOM 0 H ASP A 7 -5.196 -6.427 19.206 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.133 -8.531 20.964 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.771 -8.290 20.640 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.829 -7.035 21.419 1.00 0.00 H new ATOM 101 N SER A 8 -5.912 -9.530 18.002 1.00 0.00 N ATOM 102 CA SER A 8 -6.196 -10.699 17.186 1.00 0.00 C ATOM 103 C SER A 8 -5.020 -11.666 17.217 1.00 0.00 C ATOM 104 O SER A 8 -5.075 -12.747 16.631 1.00 0.00 O ATOM 105 CB SER A 8 -6.496 -10.285 15.745 1.00 0.00 C ATOM 106 OG SER A 8 -7.300 -9.119 15.705 1.00 0.00 O ATOM 0 H SER A 8 -5.619 -8.708 17.474 1.00 0.00 H new ATOM 0 HA SER A 8 -7.073 -11.199 17.596 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.562 -10.104 15.213 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.005 -11.099 15.228 1.00 0.00 H new ATOM 0 HG SER A 8 -7.476 -8.875 14.772 1.00 0.00 H new ATOM 112 N GLY A 9 -3.955 -11.268 17.906 1.00 0.00 N ATOM 113 CA GLY A 9 -2.784 -12.108 18.001 1.00 0.00 C ATOM 114 C GLY A 9 -1.804 -11.863 16.874 1.00 0.00 C ATOM 115 O GLY A 9 -1.141 -12.789 16.406 1.00 0.00 O ATOM 0 H GLY A 9 -3.886 -10.378 18.399 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.288 -11.929 18.955 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.089 -13.154 17.992 1.00 0.00 H new ATOM 119 N VAL A 10 -1.712 -10.612 16.433 1.00 0.00 N ATOM 120 CA VAL A 10 -0.805 -10.255 15.349 1.00 0.00 C ATOM 121 C VAL A 10 0.268 -9.280 15.822 1.00 0.00 C ATOM 122 O VAL A 10 -0.012 -8.112 16.089 1.00 0.00 O ATOM 123 CB VAL A 10 -1.563 -9.631 14.163 1.00 0.00 C ATOM 124 CG1 VAL A 10 -0.798 -9.852 12.868 1.00 0.00 C ATOM 125 CG2 VAL A 10 -2.969 -10.203 14.064 1.00 0.00 C ATOM 0 H VAL A 10 -2.252 -9.832 16.808 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.330 -11.180 15.021 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.645 -8.557 14.333 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.348 -9.405 12.040 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.186 -9.389 12.943 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.683 -10.921 12.691 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.488 -9.749 13.220 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.913 -11.282 13.918 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.515 -9.989 14.983 1.00 0.00 H new ATOM 135 N VAL A 11 1.500 -9.772 15.920 1.00 0.00 N ATOM 136 CA VAL A 11 2.624 -8.952 16.359 1.00 0.00 C ATOM 137 C VAL A 11 3.420 -8.431 15.164 1.00 0.00 C ATOM 138 O VAL A 11 4.283 -9.124 14.627 1.00 0.00 O ATOM 139 CB VAL A 11 3.550 -9.743 17.310 1.00 0.00 C ATOM 140 CG1 VAL A 11 3.606 -11.204 16.896 1.00 0.00 C ATOM 141 CG2 VAL A 11 4.947 -9.139 17.364 1.00 0.00 C ATOM 0 H VAL A 11 1.745 -10.737 15.700 1.00 0.00 H new ATOM 0 HA VAL A 11 2.217 -8.100 16.903 1.00 0.00 H new ATOM 0 HB VAL A 11 3.132 -9.681 18.315 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.262 -11.750 17.574 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.605 -11.632 16.937 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.992 -11.280 15.879 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.569 -9.722 18.043 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.387 -9.151 16.367 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.885 -8.111 17.721 1.00 0.00 H new ATOM 151 N TYR A 12 3.116 -7.202 14.757 1.00 0.00 N ATOM 152 CA TYR A 12 3.793 -6.575 13.627 1.00 0.00 C ATOM 153 C TYR A 12 5.024 -5.800 14.091 1.00 0.00 C ATOM 154 O TYR A 12 4.971 -5.064 15.075 1.00 0.00 O ATOM 155 CB TYR A 12 2.836 -5.633 12.896 1.00 0.00 C ATOM 156 CG TYR A 12 1.652 -6.333 12.267 1.00 0.00 C ATOM 157 CD1 TYR A 12 1.780 -7.006 11.058 1.00 0.00 C ATOM 158 CD2 TYR A 12 0.407 -6.320 12.882 1.00 0.00 C ATOM 159 CE1 TYR A 12 0.701 -7.646 10.480 1.00 0.00 C ATOM 160 CE2 TYR A 12 -0.678 -6.957 12.310 1.00 0.00 C ATOM 161 CZ TYR A 12 -0.526 -7.617 11.109 1.00 0.00 C ATOM 162 OH TYR A 12 -1.604 -8.251 10.534 1.00 0.00 O ATOM 0 H TYR A 12 2.403 -6.619 15.195 1.00 0.00 H new ATOM 0 HA TYR A 12 4.115 -7.363 12.946 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.472 -4.883 13.598 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.386 -5.102 12.120 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.739 -7.029 10.562 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.285 -5.804 13.823 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.818 -8.166 9.541 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.640 -6.938 12.801 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.288 -8.987 9.969 1.00 0.00 H new ATOM 172 N SER A 13 6.131 -5.969 13.374 1.00 0.00 N ATOM 173 CA SER A 13 7.373 -5.283 13.712 1.00 0.00 C ATOM 174 C SER A 13 7.312 -3.817 13.301 1.00 0.00 C ATOM 175 O SER A 13 6.378 -3.391 12.624 1.00 0.00 O ATOM 176 CB SER A 13 8.561 -5.967 13.033 1.00 0.00 C ATOM 177 OG SER A 13 9.730 -5.867 13.828 1.00 0.00 O ATOM 0 H SER A 13 6.193 -6.575 12.556 1.00 0.00 H new ATOM 0 HA SER A 13 7.504 -5.334 14.793 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.327 -7.017 12.855 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.739 -5.511 12.059 1.00 0.00 H new ATOM 0 HG SER A 13 9.811 -6.664 14.392 1.00 0.00 H new ATOM 183 N VAL A 14 8.311 -3.051 13.720 1.00 0.00 N ATOM 184 CA VAL A 14 8.373 -1.635 13.406 1.00 0.00 C ATOM 185 C VAL A 14 8.771 -1.401 11.954 1.00 0.00 C ATOM 186 O VAL A 14 8.874 -2.344 11.168 1.00 0.00 O ATOM 187 CB VAL A 14 9.367 -0.918 14.328 1.00 0.00 C ATOM 188 CG1 VAL A 14 8.894 -1.007 15.768 1.00 0.00 C ATOM 189 CG2 VAL A 14 10.761 -1.505 14.176 1.00 0.00 C ATOM 0 H VAL A 14 9.092 -3.392 14.281 1.00 0.00 H new ATOM 0 HA VAL A 14 7.374 -1.227 13.562 1.00 0.00 H new ATOM 0 HB VAL A 14 9.416 0.133 14.043 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.605 -0.496 16.417 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.915 -0.536 15.859 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.821 -2.054 16.063 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.450 -0.982 14.839 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.740 -2.563 14.436 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.093 -1.391 13.144 1.00 0.00 H new ATOM 199 N GLY A 15 8.986 -0.138 11.602 1.00 0.00 N ATOM 200 CA GLY A 15 9.361 0.198 10.244 1.00 0.00 C ATOM 201 C GLY A 15 8.657 -0.676 9.226 1.00 0.00 C ATOM 202 O GLY A 15 9.252 -1.072 8.224 1.00 0.00 O ATOM 0 H GLY A 15 8.907 0.658 12.234 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.122 1.244 10.050 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.440 0.091 10.129 1.00 0.00 H new ATOM 206 N MET A 16 7.387 -0.981 9.482 1.00 0.00 N ATOM 207 CA MET A 16 6.613 -1.821 8.572 1.00 0.00 C ATOM 208 C MET A 16 5.155 -1.376 8.510 1.00 0.00 C ATOM 209 O MET A 16 4.560 -1.017 9.528 1.00 0.00 O ATOM 210 CB MET A 16 6.698 -3.287 8.999 1.00 0.00 C ATOM 211 CG MET A 16 5.642 -3.695 10.014 1.00 0.00 C ATOM 212 SD MET A 16 4.281 -4.612 9.270 1.00 0.00 S ATOM 213 CE MET A 16 5.179 -5.827 8.308 1.00 0.00 C ATOM 0 H MET A 16 6.876 -0.662 10.305 1.00 0.00 H new ATOM 0 HA MET A 16 7.041 -1.715 7.575 1.00 0.00 H new ATOM 0 HB2 MET A 16 6.602 -3.919 8.116 1.00 0.00 H new ATOM 0 HB3 MET A 16 7.685 -3.476 9.421 1.00 0.00 H new ATOM 0 HG2 MET A 16 6.105 -4.305 10.789 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.250 -2.803 10.503 1.00 0.00 H new ATOM 0 HE1 MET A 16 5.064 -5.608 7.246 1.00 0.00 H new ATOM 0 HE2 MET A 16 6.236 -5.792 8.573 1.00 0.00 H new ATOM 0 HE3 MET A 16 4.784 -6.821 8.518 1.00 0.00 H new ATOM 223 N GLN A 17 4.587 -1.400 7.307 1.00 0.00 N ATOM 224 CA GLN A 17 3.201 -0.997 7.102 1.00 0.00 C ATOM 225 C GLN A 17 2.289 -2.210 6.942 1.00 0.00 C ATOM 226 O GLN A 17 2.759 -3.332 6.752 1.00 0.00 O ATOM 227 CB GLN A 17 3.089 -0.098 5.869 1.00 0.00 C ATOM 228 CG GLN A 17 4.321 0.758 5.627 1.00 0.00 C ATOM 229 CD GLN A 17 4.303 1.434 4.270 1.00 0.00 C ATOM 230 OE1 GLN A 17 5.046 1.056 3.365 1.00 0.00 O ATOM 231 NE2 GLN A 17 3.452 2.442 4.123 1.00 0.00 N ATOM 0 H GLN A 17 5.068 -1.696 6.458 1.00 0.00 H new ATOM 0 HA GLN A 17 2.880 -0.443 7.984 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.910 -0.719 4.991 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.221 0.552 5.981 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.390 1.517 6.406 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.213 0.136 5.707 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.854 2.722 4.900 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.396 2.936 3.233 1.00 0.00 H new ATOM 240 N TRP A 18 0.983 -1.973 7.017 1.00 0.00 N ATOM 241 CA TRP A 18 0.000 -3.040 6.877 1.00 0.00 C ATOM 242 C TRP A 18 -1.419 -2.480 6.925 1.00 0.00 C ATOM 243 O TRP A 18 -1.685 -1.494 7.612 1.00 0.00 O ATOM 244 CB TRP A 18 0.187 -4.087 7.977 1.00 0.00 C ATOM 245 CG TRP A 18 -0.434 -3.702 9.285 1.00 0.00 C ATOM 246 CD1 TRP A 18 -1.731 -3.893 9.666 1.00 0.00 C ATOM 247 CD2 TRP A 18 0.218 -3.061 10.387 1.00 0.00 C ATOM 248 NE1 TRP A 18 -1.925 -3.412 10.939 1.00 0.00 N ATOM 249 CE2 TRP A 18 -0.743 -2.897 11.403 1.00 0.00 C ATOM 250 CE3 TRP A 18 1.521 -2.613 10.614 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -0.438 -2.302 12.626 1.00 0.00 C ATOM 252 CZ3 TRP A 18 1.821 -2.025 11.826 1.00 0.00 C ATOM 253 CH2 TRP A 18 0.845 -1.874 12.820 1.00 0.00 C ATOM 0 H TRP A 18 0.581 -1.049 7.174 1.00 0.00 H new ATOM 0 HA TRP A 18 0.152 -3.515 5.908 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.243 -5.032 7.644 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.253 -4.258 8.127 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -2.493 -4.355 9.056 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.805 -3.435 11.454 1.00 0.00 H new ATOM 0 HE3 TRP A 18 2.281 -2.725 9.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.189 -2.183 13.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.826 -1.675 12.012 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.112 -1.410 13.758 1.00 0.00 H new ATOM 264 N LEU A 19 -2.326 -3.115 6.188 1.00 0.00 N ATOM 265 CA LEU A 19 -3.716 -2.679 6.143 1.00 0.00 C ATOM 266 C LEU A 19 -4.486 -3.186 7.358 1.00 0.00 C ATOM 267 O LEU A 19 -4.221 -4.277 7.862 1.00 0.00 O ATOM 268 CB LEU A 19 -4.387 -3.172 4.860 1.00 0.00 C ATOM 269 CG LEU A 19 -4.532 -2.119 3.761 1.00 0.00 C ATOM 270 CD1 LEU A 19 -5.179 -2.725 2.524 1.00 0.00 C ATOM 271 CD2 LEU A 19 -5.342 -0.933 4.262 1.00 0.00 C ATOM 0 H LEU A 19 -2.122 -3.933 5.614 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.728 -1.589 6.156 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.812 -4.010 4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.377 -3.554 5.109 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.537 -1.765 3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.274 -1.961 1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.560 -3.541 2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.167 -3.107 2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.435 -0.194 3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.334 -1.270 4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.838 -0.484 5.118 1.00 0.00 H new ATOM 283 N LYS A 20 -5.440 -2.386 7.825 1.00 0.00 N ATOM 284 CA LYS A 20 -6.246 -2.756 8.981 1.00 0.00 C ATOM 285 C LYS A 20 -7.484 -1.872 9.089 1.00 0.00 C ATOM 286 O LYS A 20 -7.442 -0.684 8.768 1.00 0.00 O ATOM 287 CB LYS A 20 -5.416 -2.651 10.261 1.00 0.00 C ATOM 288 CG LYS A 20 -5.083 -3.998 10.879 1.00 0.00 C ATOM 289 CD LYS A 20 -6.330 -4.847 11.060 1.00 0.00 C ATOM 290 CE LYS A 20 -6.122 -6.261 10.541 1.00 0.00 C ATOM 291 NZ LYS A 20 -5.218 -7.050 11.422 1.00 0.00 N ATOM 0 H LYS A 20 -5.673 -1.479 7.421 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.571 -3.788 8.850 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.489 -2.122 10.041 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.961 -2.050 10.990 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.371 -4.525 10.244 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.600 -3.848 11.844 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.598 -4.882 12.116 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.166 -4.385 10.534 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.086 -6.765 10.465 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.704 -6.220 9.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.103 -8.007 11.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.290 -6.583 11.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.629 -7.111 12.375 1.00 0.00 H new ATOM 305 N THR A 21 -8.587 -2.460 9.544 1.00 0.00 N ATOM 306 CA THR A 21 -9.838 -1.728 9.695 1.00 0.00 C ATOM 307 C THR A 21 -9.795 -0.810 10.911 1.00 0.00 C ATOM 308 O THR A 21 -9.194 -1.143 11.932 1.00 0.00 O ATOM 309 CB THR A 21 -11.034 -2.688 9.835 1.00 0.00 C ATOM 310 OG1 THR A 21 -10.620 -3.897 10.483 1.00 0.00 O ATOM 311 CG2 THR A 21 -11.627 -3.017 8.473 1.00 0.00 C ATOM 0 H THR A 21 -8.638 -3.442 9.814 1.00 0.00 H new ATOM 0 HA THR A 21 -9.964 -1.127 8.794 1.00 0.00 H new ATOM 0 HB THR A 21 -11.797 -2.195 10.438 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.387 -4.501 10.569 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.470 -3.696 8.598 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.968 -2.100 7.993 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.868 -3.491 7.851 1.00 0.00 H new ATOM 319 N GLN A 22 -10.436 0.348 10.794 1.00 0.00 N ATOM 320 CA GLN A 22 -10.473 1.316 11.885 1.00 0.00 C ATOM 321 C GLN A 22 -11.904 1.762 12.167 1.00 0.00 C ATOM 322 O GLN A 22 -12.182 2.956 12.278 1.00 0.00 O ATOM 323 CB GLN A 22 -9.605 2.529 11.546 1.00 0.00 C ATOM 324 CG GLN A 22 -8.113 2.251 11.624 1.00 0.00 C ATOM 325 CD GLN A 22 -7.343 3.381 12.278 1.00 0.00 C ATOM 326 OE1 GLN A 22 -6.351 3.868 11.735 1.00 0.00 O ATOM 327 NE2 GLN A 22 -7.796 3.804 13.453 1.00 0.00 N ATOM 0 H GLN A 22 -10.937 0.639 9.955 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.079 0.835 12.780 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.850 2.871 10.540 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.851 3.343 12.228 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -7.947 1.331 12.185 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -7.725 2.086 10.619 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.622 3.372 13.867 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.318 4.561 13.941 1.00 0.00 H new ATOM 336 N GLY A 23 -12.808 0.795 12.281 1.00 0.00 N ATOM 337 CA GLY A 23 -14.199 1.108 12.549 1.00 0.00 C ATOM 338 C GLY A 23 -15.151 0.289 11.700 1.00 0.00 C ATOM 339 O GLY A 23 -15.643 -0.751 12.135 1.00 0.00 O ATOM 0 H GLY A 23 -12.602 -0.200 12.193 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.412 0.930 13.603 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.372 2.168 12.364 1.00 0.00 H new ATOM 343 N ASN A 24 -15.410 0.761 10.485 1.00 0.00 N ATOM 344 CA ASN A 24 -16.310 0.067 9.571 1.00 0.00 C ATOM 345 C ASN A 24 -15.709 -0.013 8.171 1.00 0.00 C ATOM 346 O ASN A 24 -16.410 -0.293 7.200 1.00 0.00 O ATOM 347 CB ASN A 24 -17.665 0.777 9.517 1.00 0.00 C ATOM 348 CG ASN A 24 -18.823 -0.194 9.414 1.00 0.00 C ATOM 349 OD1 ASN A 24 -19.022 -0.835 8.383 1.00 0.00 O ATOM 350 ND2 ASN A 24 -19.596 -0.308 10.488 1.00 0.00 N ATOM 0 H ASN A 24 -15.009 1.621 10.111 1.00 0.00 H new ATOM 0 HA ASN A 24 -16.454 -0.947 9.944 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -17.787 1.390 10.410 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -17.684 1.453 8.662 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -20.391 -0.947 10.479 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -19.394 0.243 11.322 1.00 0.00 H new ATOM 357 N LYS A 25 -14.406 0.234 8.076 1.00 0.00 N ATOM 358 CA LYS A 25 -13.711 0.190 6.796 1.00 0.00 C ATOM 359 C LYS A 25 -12.228 -0.106 6.991 1.00 0.00 C ATOM 360 O LYS A 25 -11.669 0.151 8.057 1.00 0.00 O ATOM 361 CB LYS A 25 -13.885 1.514 6.052 1.00 0.00 C ATOM 362 CG LYS A 25 -13.578 2.735 6.903 1.00 0.00 C ATOM 363 CD LYS A 25 -14.438 3.924 6.504 1.00 0.00 C ATOM 364 CE LYS A 25 -14.901 4.710 7.720 1.00 0.00 C ATOM 365 NZ LYS A 25 -14.010 4.495 8.893 1.00 0.00 N ATOM 0 H LYS A 25 -13.811 0.467 8.871 1.00 0.00 H new ATOM 0 HA LYS A 25 -14.148 -0.613 6.202 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.234 1.518 5.178 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.910 1.584 5.687 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.747 2.499 7.954 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.525 2.996 6.800 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.871 4.578 5.841 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -15.305 3.575 5.943 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.930 5.772 7.476 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.918 4.414 7.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.113 5.289 9.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.272 3.609 9.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.022 4.437 8.573 1.00 0.00 H new ATOM 379 N GLN A 26 -11.597 -0.649 5.955 1.00 0.00 N ATOM 380 CA GLN A 26 -10.178 -0.981 6.013 1.00 0.00 C ATOM 381 C GLN A 26 -9.321 0.277 5.915 1.00 0.00 C ATOM 382 O GLN A 26 -9.607 1.173 5.120 1.00 0.00 O ATOM 383 CB GLN A 26 -9.812 -1.949 4.887 1.00 0.00 C ATOM 384 CG GLN A 26 -9.043 -3.172 5.362 1.00 0.00 C ATOM 385 CD GLN A 26 -9.806 -4.463 5.142 1.00 0.00 C ATOM 386 OE1 GLN A 26 -10.934 -4.454 4.648 1.00 0.00 O ATOM 387 NE2 GLN A 26 -9.193 -5.582 5.507 1.00 0.00 N ATOM 0 H GLN A 26 -12.046 -0.868 5.066 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.982 -1.460 6.972 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.725 -2.275 4.388 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.215 -1.420 4.144 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.090 -3.224 4.836 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.816 -3.065 6.423 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.258 -5.542 5.912 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.657 -6.482 5.382 1.00 0.00 H new ATOM 396 N MET A 27 -8.271 0.339 6.727 1.00 0.00 N ATOM 397 CA MET A 27 -7.376 1.490 6.730 1.00 0.00 C ATOM 398 C MET A 27 -5.921 1.047 6.852 1.00 0.00 C ATOM 399 O MET A 27 -5.618 0.050 7.506 1.00 0.00 O ATOM 400 CB MET A 27 -7.730 2.435 7.880 1.00 0.00 C ATOM 401 CG MET A 27 -8.973 3.270 7.619 1.00 0.00 C ATOM 402 SD MET A 27 -9.196 4.583 8.834 1.00 0.00 S ATOM 403 CE MET A 27 -7.510 5.159 9.023 1.00 0.00 C ATOM 0 H MET A 27 -8.019 -0.393 7.391 1.00 0.00 H new ATOM 0 HA MET A 27 -7.500 2.017 5.784 1.00 0.00 H new ATOM 0 HB2 MET A 27 -7.879 1.850 8.787 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.887 3.101 8.065 1.00 0.00 H new ATOM 0 HG2 MET A 27 -8.909 3.709 6.623 1.00 0.00 H new ATOM 0 HG3 MET A 27 -9.849 2.622 7.625 1.00 0.00 H new ATOM 0 HE1 MET A 27 -7.498 6.052 9.648 1.00 0.00 H new ATOM 0 HE2 MET A 27 -6.910 4.380 9.492 1.00 0.00 H new ATOM 0 HE3 MET A 27 -7.095 5.396 8.044 1.00 0.00 H new ATOM 413 N LEU A 28 -5.025 1.797 6.218 1.00 0.00 N ATOM 414 CA LEU A 28 -3.602 1.481 6.257 1.00 0.00 C ATOM 415 C LEU A 28 -3.044 1.669 7.665 1.00 0.00 C ATOM 416 O LEU A 28 -3.522 2.511 8.424 1.00 0.00 O ATOM 417 CB LEU A 28 -2.835 2.361 5.270 1.00 0.00 C ATOM 418 CG LEU A 28 -3.015 1.987 3.796 1.00 0.00 C ATOM 419 CD1 LEU A 28 -2.475 3.089 2.898 1.00 0.00 C ATOM 420 CD2 LEU A 28 -2.327 0.664 3.495 1.00 0.00 C ATOM 0 H LEU A 28 -5.259 2.626 5.672 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.478 0.436 5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.150 3.395 5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.774 2.315 5.514 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.080 1.873 3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.611 2.807 1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.013 4.016 3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.414 3.235 3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.465 0.413 2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.262 0.750 3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.760 -0.121 4.115 1.00 0.00 H new ATOM 432 N CYS A 29 -2.032 0.879 8.005 1.00 0.00 N ATOM 433 CA CYS A 29 -1.411 0.958 9.323 1.00 0.00 C ATOM 434 C CYS A 29 0.083 0.664 9.239 1.00 0.00 C ATOM 435 O CYS A 29 0.556 0.065 8.273 1.00 0.00 O ATOM 436 CB CYS A 29 -2.081 -0.024 10.285 1.00 0.00 C ATOM 437 SG CYS A 29 -3.659 0.571 10.975 1.00 0.00 S ATOM 0 H CYS A 29 -1.624 0.177 7.387 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.543 1.973 9.699 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.257 -0.965 9.763 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.396 -0.238 11.105 1.00 0.00 H new ATOM 442 N THR A 30 0.823 1.092 10.256 1.00 0.00 N ATOM 443 CA THR A 30 2.263 0.875 10.299 1.00 0.00 C ATOM 444 C THR A 30 2.741 0.646 11.724 1.00 0.00 C ATOM 445 O THR A 30 2.015 0.899 12.684 1.00 0.00 O ATOM 446 CB THR A 30 3.034 2.073 9.709 1.00 0.00 C ATOM 447 OG1 THR A 30 2.249 2.715 8.698 1.00 0.00 O ATOM 448 CG2 THR A 30 4.365 1.631 9.120 1.00 0.00 C ATOM 0 H THR A 30 0.448 1.592 11.062 1.00 0.00 H new ATOM 0 HA THR A 30 2.462 -0.012 9.698 1.00 0.00 H new ATOM 0 HB THR A 30 3.231 2.777 10.517 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.474 3.149 9.112 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.887 2.496 8.711 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.974 1.175 9.900 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.189 0.905 8.326 1.00 0.00 H new ATOM 456 N CYS A 31 3.972 0.171 11.850 1.00 0.00 N ATOM 457 CA CYS A 31 4.564 -0.088 13.153 1.00 0.00 C ATOM 458 C CYS A 31 5.920 0.594 13.252 1.00 0.00 C ATOM 459 O CYS A 31 6.777 0.414 12.388 1.00 0.00 O ATOM 460 CB CYS A 31 4.715 -1.592 13.385 1.00 0.00 C ATOM 461 SG CYS A 31 3.379 -2.329 14.378 1.00 0.00 S ATOM 0 H CYS A 31 4.582 -0.043 11.061 1.00 0.00 H new ATOM 0 HA CYS A 31 3.904 0.316 13.921 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.755 -2.095 12.419 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.667 -1.778 13.882 1.00 0.00 H new ATOM 466 N LEU A 32 6.105 1.385 14.300 1.00 0.00 N ATOM 467 CA LEU A 32 7.356 2.102 14.499 1.00 0.00 C ATOM 468 C LEU A 32 7.665 2.258 15.984 1.00 0.00 C ATOM 469 O LEU A 32 6.881 2.839 16.735 1.00 0.00 O ATOM 470 CB LEU A 32 7.286 3.475 13.831 1.00 0.00 C ATOM 471 CG LEU A 32 7.052 3.447 12.317 1.00 0.00 C ATOM 472 CD1 LEU A 32 6.256 4.667 11.879 1.00 0.00 C ATOM 473 CD2 LEU A 32 8.378 3.379 11.574 1.00 0.00 C ATOM 0 H LEU A 32 5.405 1.546 15.024 1.00 0.00 H new ATOM 0 HA LEU A 32 8.158 1.522 14.042 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.485 4.049 14.297 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.216 4.007 14.030 1.00 0.00 H new ATOM 0 HG LEU A 32 6.476 2.555 12.073 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.099 4.631 10.801 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.291 4.673 12.386 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.807 5.572 12.135 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.193 3.360 10.500 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.980 4.253 11.823 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.913 2.475 11.866 1.00 0.00 H new ATOM 485 N GLY A 33 8.813 1.734 16.401 1.00 0.00 N ATOM 486 CA GLY A 33 9.206 1.824 17.794 1.00 0.00 C ATOM 487 C GLY A 33 8.105 1.381 18.736 1.00 0.00 C ATOM 488 O GLY A 33 7.980 0.194 19.041 1.00 0.00 O ATOM 0 H GLY A 33 9.478 1.249 15.799 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.091 1.209 17.959 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.485 2.852 18.024 1.00 0.00 H new ATOM 492 N ASN A 34 7.306 2.336 19.201 1.00 0.00 N ATOM 493 CA ASN A 34 6.210 2.035 20.116 1.00 0.00 C ATOM 494 C ASN A 34 4.935 2.764 19.704 1.00 0.00 C ATOM 495 O ASN A 34 4.197 3.268 20.551 1.00 0.00 O ATOM 496 CB ASN A 34 6.593 2.422 21.546 1.00 0.00 C ATOM 497 CG ASN A 34 5.748 1.712 22.584 1.00 0.00 C ATOM 498 OD1 ASN A 34 4.947 0.836 22.255 1.00 0.00 O ATOM 499 ND2 ASN A 34 5.923 2.085 23.846 1.00 0.00 N ATOM 0 H ASN A 34 7.396 3.323 18.960 1.00 0.00 H new ATOM 0 HA ASN A 34 6.020 0.962 20.073 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.644 2.186 21.714 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.485 3.500 21.669 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.383 1.641 24.589 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.598 2.815 24.073 1.00 0.00 H new ATOM 506 N GLY A 35 4.680 2.818 18.401 1.00 0.00 N ATOM 507 CA GLY A 35 3.491 3.489 17.909 1.00 0.00 C ATOM 508 C GLY A 35 3.081 3.013 16.528 1.00 0.00 C ATOM 509 O GLY A 35 3.925 2.824 15.654 1.00 0.00 O ATOM 0 H GLY A 35 5.274 2.410 17.679 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.669 3.322 18.606 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.671 4.564 17.880 1.00 0.00 H new ATOM 513 N VAL A 36 1.779 2.820 16.334 1.00 0.00 N ATOM 514 CA VAL A 36 1.258 2.366 15.050 1.00 0.00 C ATOM 515 C VAL A 36 0.610 3.516 14.285 1.00 0.00 C ATOM 516 O VAL A 36 -0.300 4.175 14.789 1.00 0.00 O ATOM 517 CB VAL A 36 0.226 1.233 15.229 1.00 0.00 C ATOM 518 CG1 VAL A 36 -0.536 0.990 13.934 1.00 0.00 C ATOM 519 CG2 VAL A 36 0.906 -0.043 15.700 1.00 0.00 C ATOM 0 H VAL A 36 1.067 2.971 17.049 1.00 0.00 H new ATOM 0 HA VAL A 36 2.105 1.985 14.480 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.489 1.540 15.992 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.258 0.187 14.082 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.060 1.901 13.644 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.164 0.708 13.148 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.161 -0.829 15.820 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.646 -0.354 14.963 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.399 0.139 16.655 1.00 0.00 H new ATOM 529 N SER A 37 1.083 3.750 13.065 1.00 0.00 N ATOM 530 CA SER A 37 0.547 4.819 12.230 1.00 0.00 C ATOM 531 C SER A 37 -0.421 4.260 11.191 1.00 0.00 C ATOM 532 O SER A 37 -0.082 3.343 10.444 1.00 0.00 O ATOM 533 CB SER A 37 1.683 5.569 11.533 1.00 0.00 C ATOM 534 OG SER A 37 2.784 5.753 12.406 1.00 0.00 O ATOM 0 H SER A 37 1.836 3.214 12.633 1.00 0.00 H new ATOM 0 HA SER A 37 0.005 5.513 12.873 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.003 5.013 10.652 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.324 6.538 11.186 1.00 0.00 H new ATOM 0 HG SER A 37 3.497 6.233 11.936 1.00 0.00 H new ATOM 540 N CYS A 38 -1.628 4.817 11.151 1.00 0.00 N ATOM 541 CA CYS A 38 -2.643 4.371 10.205 1.00 0.00 C ATOM 542 C CYS A 38 -3.242 5.549 9.445 1.00 0.00 C ATOM 543 O CYS A 38 -3.232 6.681 9.926 1.00 0.00 O ATOM 544 CB CYS A 38 -3.748 3.604 10.935 1.00 0.00 C ATOM 545 SG CYS A 38 -3.140 2.250 11.992 1.00 0.00 S ATOM 0 H CYS A 38 -1.926 5.577 11.762 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.163 3.708 9.485 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.316 4.303 11.549 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.438 3.193 10.198 1.00 0.00 H new ATOM 550 N GLN A 39 -3.764 5.272 8.255 1.00 0.00 N ATOM 551 CA GLN A 39 -4.371 6.307 7.425 1.00 0.00 C ATOM 552 C GLN A 39 -5.219 5.688 6.319 1.00 0.00 C ATOM 553 O GLN A 39 -4.759 4.809 5.589 1.00 0.00 O ATOM 554 CB GLN A 39 -3.288 7.200 6.816 1.00 0.00 C ATOM 555 CG GLN A 39 -3.484 8.679 7.109 1.00 0.00 C ATOM 556 CD GLN A 39 -3.664 9.504 5.849 1.00 0.00 C ATOM 557 OE1 GLN A 39 -4.709 10.120 5.641 1.00 0.00 O ATOM 558 NE2 GLN A 39 -2.643 9.520 5.001 1.00 0.00 N ATOM 0 H GLN A 39 -3.779 4.339 7.843 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.019 6.914 8.058 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.315 6.888 7.197 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.270 7.051 5.736 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.356 8.806 7.750 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.624 9.053 7.664 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.795 8.994 5.214 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.706 10.058 4.137 1.00 0.00 H new ATOM 567 N GLU A 40 -6.459 6.153 6.200 1.00 0.00 N ATOM 568 CA GLU A 40 -7.370 5.644 5.183 1.00 0.00 C ATOM 569 C GLU A 40 -6.649 5.451 3.853 1.00 0.00 C ATOM 570 O GLU A 40 -6.106 6.399 3.286 1.00 0.00 O ATOM 571 CB GLU A 40 -8.550 6.602 5.001 1.00 0.00 C ATOM 572 CG GLU A 40 -9.810 6.157 5.726 1.00 0.00 C ATOM 573 CD GLU A 40 -10.904 7.207 5.690 1.00 0.00 C ATOM 574 OE1 GLU A 40 -10.582 8.393 5.468 1.00 0.00 O ATOM 575 OE2 GLU A 40 -12.082 6.842 5.885 1.00 0.00 O ATOM 0 H GLU A 40 -6.855 6.881 6.795 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.743 4.676 5.517 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.264 7.591 5.360 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.768 6.700 3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.179 5.237 5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.566 5.927 6.763 1.00 0.00 H new ATOM 582 N THR A 41 -6.648 4.217 3.359 1.00 0.00 N ATOM 583 CA THR A 41 -5.993 3.899 2.096 1.00 0.00 C ATOM 584 C THR A 41 -6.631 4.662 0.940 1.00 0.00 C ATOM 585 O THR A 41 -5.967 4.987 -0.044 1.00 0.00 O ATOM 586 CB THR A 41 -6.055 2.391 1.795 1.00 0.00 C ATOM 587 OG1 THR A 41 -5.220 2.079 0.673 1.00 0.00 O ATOM 588 CG2 THR A 41 -7.484 1.953 1.507 1.00 0.00 C ATOM 0 H THR A 41 -7.094 3.421 3.815 1.00 0.00 H new ATOM 0 HA THR A 41 -4.950 4.199 2.196 1.00 0.00 H new ATOM 0 HB THR A 41 -5.698 1.854 2.674 1.00 0.00 H new ATOM 0 HG1 THR A 41 -5.264 1.117 0.490 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.501 0.884 1.297 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.111 2.163 2.374 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.865 2.498 0.643 1.00 0.00 H new ATOM 596 N ALA A 42 -7.924 4.944 1.066 1.00 0.00 N ATOM 597 CA ALA A 42 -8.651 5.669 0.030 1.00 0.00 C ATOM 598 C ALA A 42 -8.279 5.163 -1.359 1.00 0.00 C ATOM 599 O ALA A 42 -7.592 4.151 -1.498 1.00 0.00 O ATOM 600 CB ALA A 42 -8.377 7.162 0.140 1.00 0.00 C ATOM 0 H ALA A 42 -8.489 4.682 1.874 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.716 5.493 0.179 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.926 7.691 -0.639 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.699 7.520 1.118 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.309 7.346 0.020 1.00 0.00 H new ATOM 606 N VAL A 43 -8.739 5.873 -2.384 1.00 0.00 N ATOM 607 CA VAL A 43 -8.454 5.495 -3.764 1.00 0.00 C ATOM 608 C VAL A 43 -7.073 5.977 -4.193 1.00 0.00 C ATOM 609 O VAL A 43 -6.633 7.059 -3.801 1.00 0.00 O ATOM 610 CB VAL A 43 -9.508 6.064 -4.732 1.00 0.00 C ATOM 611 CG1 VAL A 43 -9.261 5.562 -6.146 1.00 0.00 C ATOM 612 CG2 VAL A 43 -10.911 5.705 -4.266 1.00 0.00 C ATOM 0 H VAL A 43 -9.310 6.712 -2.286 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.484 4.406 -3.805 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.420 7.150 -4.738 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -10.016 5.975 -6.816 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.271 5.877 -6.476 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.319 4.474 -6.161 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.642 6.116 -4.963 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -11.015 4.621 -4.228 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.082 6.121 -3.273 1.00 0.00 H new ATOM 622 N THR A 44 -6.393 5.169 -4.999 1.00 0.00 N ATOM 623 CA THR A 44 -5.061 5.515 -5.480 1.00 0.00 C ATOM 624 C THR A 44 -4.997 6.972 -5.923 1.00 0.00 C ATOM 625 O THR A 44 -6.028 7.620 -6.108 1.00 0.00 O ATOM 626 CB THR A 44 -4.638 4.615 -6.656 1.00 0.00 C ATOM 627 OG1 THR A 44 -5.441 3.428 -6.680 1.00 0.00 O ATOM 628 CG2 THR A 44 -3.169 4.237 -6.548 1.00 0.00 C ATOM 0 H THR A 44 -6.742 4.271 -5.333 1.00 0.00 H new ATOM 0 HA THR A 44 -4.375 5.361 -4.647 1.00 0.00 H new ATOM 0 HB THR A 44 -4.786 5.172 -7.581 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.295 3.620 -7.121 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.894 3.601 -7.390 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.559 5.140 -6.561 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.000 3.698 -5.616 1.00 0.00 H new ATOM 636 N GLN A 45 -3.782 7.483 -6.090 1.00 0.00 N ATOM 637 CA GLN A 45 -3.584 8.864 -6.511 1.00 0.00 C ATOM 638 C GLN A 45 -3.769 9.006 -8.019 1.00 0.00 C ATOM 639 O GLN A 45 -2.838 9.370 -8.737 1.00 0.00 O ATOM 640 CB GLN A 45 -2.189 9.347 -6.109 1.00 0.00 C ATOM 641 CG GLN A 45 -2.197 10.334 -4.953 1.00 0.00 C ATOM 642 CD GLN A 45 -3.060 11.549 -5.229 1.00 0.00 C ATOM 643 OE1 GLN A 45 -4.285 11.454 -5.290 1.00 0.00 O ATOM 644 NE2 GLN A 45 -2.422 12.702 -5.398 1.00 0.00 N ATOM 0 H GLN A 45 -2.919 6.960 -5.940 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.332 9.480 -6.012 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.580 8.485 -5.836 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.713 9.814 -6.971 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.558 9.833 -4.055 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.176 10.657 -4.749 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.404 12.735 -5.339 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.950 13.554 -5.587 1.00 0.00 H new ATOM 653 N THR A 46 -4.977 8.716 -8.491 1.00 0.00 N ATOM 654 CA THR A 46 -5.284 8.810 -9.913 1.00 0.00 C ATOM 655 C THR A 46 -4.553 9.984 -10.555 1.00 0.00 C ATOM 656 O THR A 46 -4.464 11.066 -9.975 1.00 0.00 O ATOM 657 CB THR A 46 -6.797 8.971 -10.152 1.00 0.00 C ATOM 658 OG1 THR A 46 -7.321 10.001 -9.304 1.00 0.00 O ATOM 659 CG2 THR A 46 -7.529 7.664 -9.882 1.00 0.00 C ATOM 0 H THR A 46 -5.759 8.414 -7.910 1.00 0.00 H new ATOM 0 HA THR A 46 -4.948 7.880 -10.371 1.00 0.00 H new ATOM 0 HB THR A 46 -6.950 9.247 -11.195 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.265 10.864 -9.765 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.596 7.802 -10.057 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.149 6.890 -10.548 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.367 7.363 -8.847 1.00 0.00 H new ATOM 667 N TYR A 47 -4.033 9.763 -11.758 1.00 0.00 N ATOM 668 CA TYR A 47 -3.309 10.803 -12.480 1.00 0.00 C ATOM 669 C TYR A 47 -3.493 10.647 -13.986 1.00 0.00 C ATOM 670 O TYR A 47 -3.873 9.580 -14.469 1.00 0.00 O ATOM 671 CB TYR A 47 -1.821 10.756 -12.129 1.00 0.00 C ATOM 672 CG TYR A 47 -1.130 9.489 -12.579 1.00 0.00 C ATOM 673 CD1 TYR A 47 -0.974 9.202 -13.930 1.00 0.00 C ATOM 674 CD2 TYR A 47 -0.634 8.578 -11.654 1.00 0.00 C ATOM 675 CE1 TYR A 47 -0.344 8.045 -14.345 1.00 0.00 C ATOM 676 CE2 TYR A 47 -0.002 7.420 -12.061 1.00 0.00 C ATOM 677 CZ TYR A 47 0.140 7.157 -13.407 1.00 0.00 C ATOM 678 OH TYR A 47 0.769 6.003 -13.816 1.00 0.00 O ATOM 0 H TYR A 47 -4.099 8.874 -12.253 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.715 11.769 -12.180 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.322 11.612 -12.583 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.708 10.857 -11.050 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.352 9.895 -14.667 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.745 8.779 -10.599 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.231 7.837 -15.399 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.379 6.724 -11.329 1.00 0.00 H new ATOM 0 HH TYR A 47 0.949 5.435 -13.038 1.00 0.00 H new ATOM 688 N GLY A 48 -3.220 11.718 -14.724 1.00 0.00 N ATOM 689 CA GLY A 48 -3.362 11.681 -16.168 1.00 0.00 C ATOM 690 C GLY A 48 -4.638 10.992 -16.607 1.00 0.00 C ATOM 691 O GLY A 48 -5.484 10.651 -15.780 1.00 0.00 O ATOM 0 H GLY A 48 -2.903 12.611 -14.348 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.350 12.699 -16.557 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.506 11.164 -16.601 1.00 0.00 H new ATOM 695 N GLY A 49 -4.777 10.787 -17.913 1.00 0.00 N ATOM 696 CA GLY A 49 -5.962 10.135 -18.439 1.00 0.00 C ATOM 697 C GLY A 49 -6.892 11.101 -19.144 1.00 0.00 C ATOM 698 O GLY A 49 -6.499 12.218 -19.479 1.00 0.00 O ATOM 0 H GLY A 49 -4.090 11.061 -18.616 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.663 9.351 -19.135 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.498 9.650 -17.623 1.00 0.00 H new ATOM 702 N ASN A 50 -8.129 10.670 -19.371 1.00 0.00 N ATOM 703 CA ASN A 50 -9.118 11.506 -20.042 1.00 0.00 C ATOM 704 C ASN A 50 -9.879 12.362 -19.036 1.00 0.00 C ATOM 705 O ASN A 50 -10.986 12.827 -19.313 1.00 0.00 O ATOM 706 CB ASN A 50 -10.097 10.637 -20.833 1.00 0.00 C ATOM 707 CG ASN A 50 -11.018 9.836 -19.934 1.00 0.00 C ATOM 708 OD1 ASN A 50 -11.223 10.182 -18.770 1.00 0.00 O ATOM 709 ND2 ASN A 50 -11.581 8.759 -20.470 1.00 0.00 N ATOM 0 H ASN A 50 -8.470 9.748 -19.100 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.592 12.168 -20.730 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.695 11.272 -21.487 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.537 9.956 -21.474 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.211 8.182 -19.913 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.383 8.509 -21.439 1.00 0.00 H new ATOM 716 N SER A 51 -9.281 12.569 -17.867 1.00 0.00 N ATOM 717 CA SER A 51 -9.901 13.370 -16.821 1.00 0.00 C ATOM 718 C SER A 51 -8.842 14.052 -15.964 1.00 0.00 C ATOM 719 O SER A 51 -9.122 14.497 -14.851 1.00 0.00 O ATOM 720 CB SER A 51 -10.799 12.495 -15.943 1.00 0.00 C ATOM 721 OG SER A 51 -10.180 12.215 -14.700 1.00 0.00 O ATOM 0 H SER A 51 -8.366 12.192 -17.621 1.00 0.00 H new ATOM 0 HA SER A 51 -10.510 14.138 -17.297 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.750 13.000 -15.774 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.021 11.562 -16.461 1.00 0.00 H new ATOM 0 HG SER A 51 -9.768 11.326 -14.732 1.00 0.00 H new ATOM 727 N ASN A 52 -7.623 14.131 -16.492 1.00 0.00 N ATOM 728 CA ASN A 52 -6.515 14.758 -15.781 1.00 0.00 C ATOM 729 C ASN A 52 -6.011 13.863 -14.654 1.00 0.00 C ATOM 730 O ASN A 52 -4.825 13.543 -14.584 1.00 0.00 O ATOM 731 CB ASN A 52 -6.943 16.114 -15.220 1.00 0.00 C ATOM 732 CG ASN A 52 -5.787 16.877 -14.605 1.00 0.00 C ATOM 733 OD1 ASN A 52 -5.328 16.555 -13.509 1.00 0.00 O ATOM 734 ND2 ASN A 52 -5.308 17.896 -15.310 1.00 0.00 N ATOM 0 H ASN A 52 -7.378 13.767 -17.413 1.00 0.00 H new ATOM 0 HA ASN A 52 -5.701 14.907 -16.491 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -7.385 16.711 -16.018 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.717 15.965 -14.467 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.530 18.446 -14.947 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.719 18.128 -16.214 1.00 0.00 H new ATOM 741 N GLY A 53 -6.920 13.461 -13.772 1.00 0.00 N ATOM 742 CA GLY A 53 -6.548 12.607 -12.660 1.00 0.00 C ATOM 743 C GLY A 53 -7.582 12.613 -11.552 1.00 0.00 C ATOM 744 O GLY A 53 -7.238 12.559 -10.371 1.00 0.00 O ATOM 0 H GLY A 53 -7.908 13.712 -13.808 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.411 11.587 -13.019 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.589 12.935 -12.259 1.00 0.00 H new ATOM 748 N GLU A 54 -8.854 12.679 -11.932 1.00 0.00 N ATOM 749 CA GLU A 54 -9.943 12.693 -10.963 1.00 0.00 C ATOM 750 C GLU A 54 -10.157 11.305 -10.367 1.00 0.00 C ATOM 751 O GLU A 54 -9.566 10.326 -10.821 1.00 0.00 O ATOM 752 CB GLU A 54 -11.234 13.183 -11.622 1.00 0.00 C ATOM 753 CG GLU A 54 -11.609 14.606 -11.242 1.00 0.00 C ATOM 754 CD GLU A 54 -12.847 15.097 -11.967 1.00 0.00 C ATOM 755 OE1 GLU A 54 -13.591 14.252 -12.510 1.00 0.00 O ATOM 756 OE2 GLU A 54 -13.072 16.325 -11.993 1.00 0.00 O ATOM 0 H GLU A 54 -9.156 12.724 -12.905 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.672 13.377 -10.159 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.125 13.122 -12.705 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.050 12.515 -11.345 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.778 14.658 -10.166 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.774 15.270 -11.466 1.00 0.00 H new ATOM 763 N PRO A 55 -11.013 11.205 -9.339 1.00 0.00 N ATOM 764 CA PRO A 55 -11.311 9.931 -8.677 1.00 0.00 C ATOM 765 C PRO A 55 -12.010 8.947 -9.608 1.00 0.00 C ATOM 766 O PRO A 55 -12.684 9.347 -10.557 1.00 0.00 O ATOM 767 CB PRO A 55 -12.237 10.329 -7.524 1.00 0.00 C ATOM 768 CG PRO A 55 -12.819 11.639 -7.933 1.00 0.00 C ATOM 769 CD PRO A 55 -11.758 12.326 -8.744 1.00 0.00 C ATOM 0 HA PRO A 55 -10.404 9.422 -8.351 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -13.016 9.583 -7.367 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.686 10.417 -6.587 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.727 11.497 -8.519 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.091 12.234 -7.062 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.190 12.973 -9.507 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.117 12.951 -8.122 1.00 0.00 H new ATOM 777 N CYS A 56 -11.843 7.658 -9.332 1.00 0.00 N ATOM 778 CA CYS A 56 -12.457 6.617 -10.149 1.00 0.00 C ATOM 779 C CYS A 56 -13.932 6.449 -9.804 1.00 0.00 C ATOM 780 O CYS A 56 -14.438 7.073 -8.871 1.00 0.00 O ATOM 781 CB CYS A 56 -11.722 5.289 -9.958 1.00 0.00 C ATOM 782 SG CYS A 56 -9.910 5.447 -9.856 1.00 0.00 S ATOM 0 H CYS A 56 -11.289 7.309 -8.550 1.00 0.00 H new ATOM 0 HA CYS A 56 -12.381 6.920 -11.193 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -12.086 4.813 -9.048 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -11.972 4.626 -10.786 1.00 0.00 H new ATOM 787 N VAL A 57 -14.615 5.603 -10.566 1.00 0.00 N ATOM 788 CA VAL A 57 -16.033 5.351 -10.350 1.00 0.00 C ATOM 789 C VAL A 57 -16.416 3.957 -10.835 1.00 0.00 C ATOM 790 O VAL A 57 -16.865 3.784 -11.969 1.00 0.00 O ATOM 791 CB VAL A 57 -16.903 6.394 -11.075 1.00 0.00 C ATOM 792 CG1 VAL A 57 -18.224 6.589 -10.347 1.00 0.00 C ATOM 793 CG2 VAL A 57 -16.154 7.713 -11.206 1.00 0.00 C ATOM 0 H VAL A 57 -14.208 5.079 -11.341 1.00 0.00 H new ATOM 0 HA VAL A 57 -16.213 5.424 -9.277 1.00 0.00 H new ATOM 0 HB VAL A 57 -17.122 6.026 -12.077 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -18.824 7.330 -10.875 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -18.763 5.643 -10.312 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -18.032 6.935 -9.331 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -16.783 8.439 -11.721 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -15.903 8.089 -10.214 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -15.239 7.557 -11.777 1.00 0.00 H new ATOM 803 N LEU A 58 -16.230 2.965 -9.971 1.00 0.00 N ATOM 804 CA LEU A 58 -16.552 1.584 -10.311 1.00 0.00 C ATOM 805 C LEU A 58 -17.755 1.090 -9.512 1.00 0.00 C ATOM 806 O LEU A 58 -18.292 1.813 -8.672 1.00 0.00 O ATOM 807 CB LEU A 58 -15.343 0.682 -10.051 1.00 0.00 C ATOM 808 CG LEU A 58 -14.016 1.417 -9.852 1.00 0.00 C ATOM 809 CD1 LEU A 58 -13.092 0.614 -8.950 1.00 0.00 C ATOM 810 CD2 LEU A 58 -13.351 1.690 -11.192 1.00 0.00 C ATOM 0 H LEU A 58 -15.858 3.092 -9.030 1.00 0.00 H new ATOM 0 HA LEU A 58 -16.806 1.545 -11.370 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -15.543 0.079 -9.165 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -15.237 -0.007 -10.889 1.00 0.00 H new ATOM 0 HG LEU A 58 -14.221 2.373 -9.370 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.153 1.152 -8.820 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -13.566 0.470 -7.979 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -12.894 -0.357 -9.404 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -12.409 2.213 -11.031 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.159 0.746 -11.702 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.008 2.307 -11.805 1.00 0.00 H new ATOM 822 N PRO A 59 -18.197 -0.153 -9.765 1.00 0.00 N ATOM 823 CA PRO A 59 -17.578 -1.039 -10.760 1.00 0.00 C ATOM 824 C PRO A 59 -17.635 -0.457 -12.168 1.00 0.00 C ATOM 825 O PRO A 59 -18.602 0.209 -12.537 1.00 0.00 O ATOM 826 CB PRO A 59 -18.416 -2.321 -10.683 1.00 0.00 C ATOM 827 CG PRO A 59 -19.109 -2.253 -9.364 1.00 0.00 C ATOM 828 CD PRO A 59 -19.337 -0.794 -9.095 1.00 0.00 C ATOM 0 HA PRO A 59 -16.519 -1.196 -10.554 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -19.133 -2.373 -11.503 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -17.787 -3.208 -10.753 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -20.053 -2.798 -9.390 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -18.502 -2.705 -8.580 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -20.289 -0.452 -9.502 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -19.351 -0.578 -8.027 1.00 0.00 H new ATOM 836 N PHE A 60 -16.592 -0.711 -12.951 1.00 0.00 N ATOM 837 CA PHE A 60 -16.524 -0.211 -14.319 1.00 0.00 C ATOM 838 C PHE A 60 -16.157 -1.328 -15.290 1.00 0.00 C ATOM 839 O PHE A 60 -15.069 -1.897 -15.213 1.00 0.00 O ATOM 840 CB PHE A 60 -15.503 0.923 -14.421 1.00 0.00 C ATOM 841 CG PHE A 60 -14.076 0.453 -14.387 1.00 0.00 C ATOM 842 CD1 PHE A 60 -13.572 -0.191 -13.269 1.00 0.00 C ATOM 843 CD2 PHE A 60 -13.240 0.657 -15.473 1.00 0.00 C ATOM 844 CE1 PHE A 60 -12.260 -0.625 -13.235 1.00 0.00 C ATOM 845 CE2 PHE A 60 -11.927 0.226 -15.445 1.00 0.00 C ATOM 846 CZ PHE A 60 -11.437 -0.416 -14.323 1.00 0.00 C ATOM 0 H PHE A 60 -15.782 -1.260 -12.662 1.00 0.00 H new ATOM 0 HA PHE A 60 -17.509 0.171 -14.587 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -15.674 1.472 -15.347 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -15.666 1.622 -13.601 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -14.211 -0.356 -12.414 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -13.619 1.158 -16.351 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -11.879 -1.127 -12.358 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -11.285 0.390 -16.298 1.00 0.00 H new ATOM 0 HZ PHE A 60 -10.411 -0.754 -14.298 1.00 0.00 H new ATOM 856 N THR A 61 -17.072 -1.638 -16.202 1.00 0.00 N ATOM 857 CA THR A 61 -16.849 -2.684 -17.187 1.00 0.00 C ATOM 858 C THR A 61 -16.055 -2.158 -18.378 1.00 0.00 C ATOM 859 O THR A 61 -16.155 -0.983 -18.732 1.00 0.00 O ATOM 860 CB THR A 61 -18.183 -3.262 -17.692 1.00 0.00 C ATOM 861 OG1 THR A 61 -19.123 -2.204 -17.913 1.00 0.00 O ATOM 862 CG2 THR A 61 -18.757 -4.256 -16.694 1.00 0.00 C ATOM 0 H THR A 61 -17.978 -1.176 -16.278 1.00 0.00 H new ATOM 0 HA THR A 61 -16.278 -3.471 -16.694 1.00 0.00 H new ATOM 0 HB THR A 61 -17.994 -3.783 -18.631 1.00 0.00 H new ATOM 0 HG1 THR A 61 -19.969 -2.580 -18.236 1.00 0.00 H new ATOM 0 HG21 THR A 61 -19.700 -4.650 -17.074 1.00 0.00 H new ATOM 0 HG22 THR A 61 -18.053 -5.075 -16.550 1.00 0.00 H new ATOM 0 HG23 THR A 61 -18.931 -3.756 -15.741 1.00 0.00 H new ATOM 870 N TYR A 62 -15.270 -3.034 -18.997 1.00 0.00 N ATOM 871 CA TYR A 62 -14.464 -2.655 -20.152 1.00 0.00 C ATOM 872 C TYR A 62 -14.069 -3.881 -20.971 1.00 0.00 C ATOM 873 O TYR A 62 -13.538 -4.854 -20.437 1.00 0.00 O ATOM 874 CB TYR A 62 -13.213 -1.892 -19.707 1.00 0.00 C ATOM 875 CG TYR A 62 -12.176 -1.741 -20.796 1.00 0.00 C ATOM 876 CD1 TYR A 62 -11.371 -2.809 -21.169 1.00 0.00 C ATOM 877 CD2 TYR A 62 -12.002 -0.528 -21.451 1.00 0.00 C ATOM 878 CE1 TYR A 62 -10.421 -2.674 -22.164 1.00 0.00 C ATOM 879 CE2 TYR A 62 -11.055 -0.385 -22.447 1.00 0.00 C ATOM 880 CZ TYR A 62 -10.268 -1.460 -22.800 1.00 0.00 C ATOM 881 OH TYR A 62 -9.323 -1.320 -23.790 1.00 0.00 O ATOM 0 H TYR A 62 -15.175 -4.011 -18.718 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.068 -2.003 -20.783 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -13.507 -0.902 -19.357 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -12.764 -2.410 -18.859 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.489 -3.761 -20.673 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -12.617 0.317 -21.177 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.802 -3.514 -22.442 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -10.932 0.565 -22.947 1.00 0.00 H new ATOM 0 HH TYR A 62 -9.345 -0.403 -24.136 1.00 0.00 H new ATOM 891 N ASN A 63 -14.346 -3.827 -22.272 1.00 0.00 N ATOM 892 CA ASN A 63 -14.028 -4.929 -23.180 1.00 0.00 C ATOM 893 C ASN A 63 -15.024 -6.083 -23.040 1.00 0.00 C ATOM 894 O ASN A 63 -15.047 -6.993 -23.870 1.00 0.00 O ATOM 895 CB ASN A 63 -12.594 -5.422 -22.938 1.00 0.00 C ATOM 896 CG ASN A 63 -12.519 -6.610 -21.994 1.00 0.00 C ATOM 897 OD1 ASN A 63 -11.750 -6.467 -20.921 1.00 0.00 O flip ATOM 898 ND2 ASN A 63 -13.146 -7.645 -22.229 1.00 0.00 N flip ATOM 0 H ASN A 63 -14.792 -3.028 -22.723 1.00 0.00 H new ATOM 0 HA ASN A 63 -14.105 -4.552 -24.200 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -12.145 -5.696 -23.893 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -12.000 -4.604 -22.530 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.725 -7.711 -23.066 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.086 -8.435 -21.586 1.00 0.00 H new ATOM 905 N GLY A 64 -15.839 -6.049 -21.990 1.00 0.00 N ATOM 906 CA GLY A 64 -16.810 -7.101 -21.770 1.00 0.00 C ATOM 907 C GLY A 64 -16.703 -7.685 -20.378 1.00 0.00 C ATOM 908 O GLY A 64 -17.454 -8.591 -20.016 1.00 0.00 O ATOM 0 H GLY A 64 -15.843 -5.309 -21.288 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -17.814 -6.706 -21.922 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -16.663 -7.890 -22.507 1.00 0.00 H new ATOM 912 N ARG A 65 -15.764 -7.163 -19.593 1.00 0.00 N ATOM 913 CA ARG A 65 -15.556 -7.636 -18.232 1.00 0.00 C ATOM 914 C ARG A 65 -15.853 -6.522 -17.227 1.00 0.00 C ATOM 915 O ARG A 65 -15.575 -5.350 -17.486 1.00 0.00 O ATOM 916 CB ARG A 65 -14.115 -8.159 -18.078 1.00 0.00 C ATOM 917 CG ARG A 65 -13.303 -7.492 -16.976 1.00 0.00 C ATOM 918 CD ARG A 65 -13.568 -8.113 -15.610 1.00 0.00 C ATOM 919 NE ARG A 65 -14.573 -9.176 -15.659 1.00 0.00 N ATOM 920 CZ ARG A 65 -14.570 -10.236 -14.855 1.00 0.00 C ATOM 921 NH1 ARG A 65 -13.627 -10.374 -13.930 1.00 0.00 N ATOM 922 NH2 ARG A 65 -15.515 -11.158 -14.970 1.00 0.00 N ATOM 0 H ARG A 65 -15.136 -6.412 -19.879 1.00 0.00 H new ATOM 0 HA ARG A 65 -16.244 -8.457 -18.028 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.152 -9.231 -17.883 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.593 -8.025 -19.025 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.241 -7.572 -17.210 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.543 -6.429 -16.943 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.637 -8.517 -15.212 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -13.899 -7.337 -14.920 1.00 0.00 H new ATOM 0 HE ARG A 65 -15.319 -9.100 -16.350 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.900 -9.665 -13.833 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -13.630 -11.189 -13.316 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -16.245 -11.055 -15.675 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -15.512 -11.971 -14.353 1.00 0.00 H new ATOM 936 N THR A 66 -16.414 -6.894 -16.082 1.00 0.00 N ATOM 937 CA THR A 66 -16.742 -5.924 -15.044 1.00 0.00 C ATOM 938 C THR A 66 -15.622 -5.822 -14.015 1.00 0.00 C ATOM 939 O THR A 66 -15.516 -6.654 -13.113 1.00 0.00 O ATOM 940 CB THR A 66 -18.053 -6.289 -14.324 1.00 0.00 C ATOM 941 OG1 THR A 66 -19.042 -6.690 -15.281 1.00 0.00 O ATOM 942 CG2 THR A 66 -18.573 -5.109 -13.516 1.00 0.00 C ATOM 0 H THR A 66 -16.651 -7.858 -15.849 1.00 0.00 H new ATOM 0 HA THR A 66 -16.867 -4.962 -15.540 1.00 0.00 H new ATOM 0 HB THR A 66 -17.850 -7.115 -13.643 1.00 0.00 H new ATOM 0 HG1 THR A 66 -19.872 -6.922 -14.815 1.00 0.00 H new ATOM 0 HG21 THR A 66 -19.500 -5.390 -13.016 1.00 0.00 H new ATOM 0 HG22 THR A 66 -17.831 -4.823 -12.770 1.00 0.00 H new ATOM 0 HG23 THR A 66 -18.761 -4.267 -14.182 1.00 0.00 H new ATOM 950 N PHE A 67 -14.786 -4.799 -14.157 1.00 0.00 N ATOM 951 CA PHE A 67 -13.671 -4.588 -13.241 1.00 0.00 C ATOM 952 C PHE A 67 -14.125 -3.843 -11.991 1.00 0.00 C ATOM 953 O PHE A 67 -15.043 -3.024 -12.042 1.00 0.00 O ATOM 954 CB PHE A 67 -12.555 -3.808 -13.937 1.00 0.00 C ATOM 955 CG PHE A 67 -12.245 -4.311 -15.318 1.00 0.00 C ATOM 956 CD1 PHE A 67 -13.034 -3.944 -16.395 1.00 0.00 C ATOM 957 CD2 PHE A 67 -11.166 -5.152 -15.538 1.00 0.00 C ATOM 958 CE1 PHE A 67 -12.754 -4.406 -17.667 1.00 0.00 C ATOM 959 CE2 PHE A 67 -10.881 -5.619 -16.808 1.00 0.00 C ATOM 960 CZ PHE A 67 -11.678 -5.245 -17.874 1.00 0.00 C ATOM 0 H PHE A 67 -14.860 -4.102 -14.898 1.00 0.00 H new ATOM 0 HA PHE A 67 -13.291 -5.564 -12.940 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -12.839 -2.757 -13.997 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -11.652 -3.860 -13.329 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -13.878 -3.289 -16.239 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -10.540 -5.446 -14.708 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.377 -4.111 -18.498 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.038 -6.275 -16.967 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.459 -5.609 -18.867 1.00 0.00 H new ATOM 970 N TYR A 68 -13.476 -4.131 -10.868 1.00 0.00 N ATOM 971 CA TYR A 68 -13.811 -3.489 -9.603 1.00 0.00 C ATOM 972 C TYR A 68 -12.644 -2.651 -9.091 1.00 0.00 C ATOM 973 O TYR A 68 -12.497 -2.445 -7.887 1.00 0.00 O ATOM 974 CB TYR A 68 -14.196 -4.540 -8.559 1.00 0.00 C ATOM 975 CG TYR A 68 -15.572 -5.130 -8.772 1.00 0.00 C ATOM 976 CD1 TYR A 68 -15.857 -5.886 -9.903 1.00 0.00 C ATOM 977 CD2 TYR A 68 -16.585 -4.934 -7.842 1.00 0.00 C ATOM 978 CE1 TYR A 68 -17.114 -6.427 -10.101 1.00 0.00 C ATOM 979 CE2 TYR A 68 -17.843 -5.472 -8.033 1.00 0.00 C ATOM 980 CZ TYR A 68 -18.102 -6.217 -9.164 1.00 0.00 C ATOM 981 OH TYR A 68 -19.353 -6.755 -9.357 1.00 0.00 O ATOM 0 H TYR A 68 -12.714 -4.806 -10.808 1.00 0.00 H new ATOM 0 HA TYR A 68 -14.661 -2.829 -9.774 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -13.459 -5.343 -8.575 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -14.153 -4.088 -7.568 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -15.084 -6.054 -10.639 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -16.386 -4.351 -6.955 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -17.320 -7.011 -10.986 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -18.620 -5.310 -7.300 1.00 0.00 H new ATOM 0 HH TYR A 68 -19.932 -6.515 -8.604 1.00 0.00 H new ATOM 991 N SER A 69 -11.818 -2.170 -10.015 1.00 0.00 N ATOM 992 CA SER A 69 -10.664 -1.354 -9.656 1.00 0.00 C ATOM 993 C SER A 69 -9.668 -1.281 -10.809 1.00 0.00 C ATOM 994 O SER A 69 -9.910 -1.826 -11.887 1.00 0.00 O ATOM 995 CB SER A 69 -9.979 -1.919 -8.411 1.00 0.00 C ATOM 996 OG SER A 69 -10.452 -1.283 -7.236 1.00 0.00 O ATOM 0 H SER A 69 -11.926 -2.331 -11.016 1.00 0.00 H new ATOM 0 HA SER A 69 -11.018 -0.346 -9.441 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.162 -2.992 -8.347 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.900 -1.784 -8.492 1.00 0.00 H new ATOM 0 HG SER A 69 -11.431 -1.312 -7.220 1.00 0.00 H new ATOM 1002 N CYS A 70 -8.548 -0.606 -10.574 1.00 0.00 N ATOM 1003 CA CYS A 70 -7.514 -0.461 -11.592 1.00 0.00 C ATOM 1004 C CYS A 70 -7.396 -1.727 -12.435 1.00 0.00 C ATOM 1005 O CYS A 70 -7.619 -2.835 -11.944 1.00 0.00 O ATOM 1006 CB CYS A 70 -6.168 -0.144 -10.939 1.00 0.00 C ATOM 1007 SG CYS A 70 -6.131 1.443 -10.044 1.00 0.00 S ATOM 0 H CYS A 70 -8.333 -0.150 -9.687 1.00 0.00 H new ATOM 0 HA CYS A 70 -7.798 0.364 -12.246 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -5.915 -0.946 -10.246 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -5.396 -0.133 -11.709 1.00 0.00 H new ATOM 1012 N THR A 71 -7.046 -1.555 -13.705 1.00 0.00 N ATOM 1013 CA THR A 71 -6.898 -2.683 -14.617 1.00 0.00 C ATOM 1014 C THR A 71 -6.105 -2.284 -15.857 1.00 0.00 C ATOM 1015 O THR A 71 -6.323 -1.214 -16.427 1.00 0.00 O ATOM 1016 CB THR A 71 -8.266 -3.236 -15.054 1.00 0.00 C ATOM 1017 OG1 THR A 71 -8.099 -4.501 -15.706 1.00 0.00 O ATOM 1018 CG2 THR A 71 -8.968 -2.266 -15.993 1.00 0.00 C ATOM 0 H THR A 71 -6.859 -0.645 -14.126 1.00 0.00 H new ATOM 0 HA THR A 71 -6.358 -3.459 -14.075 1.00 0.00 H new ATOM 0 HB THR A 71 -8.881 -3.365 -14.163 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.978 -4.888 -15.900 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.933 -2.679 -16.288 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.121 -1.314 -15.485 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.354 -2.109 -16.880 1.00 0.00 H new ATOM 1026 N THR A 72 -5.186 -3.149 -16.270 1.00 0.00 N ATOM 1027 CA THR A 72 -4.361 -2.886 -17.443 1.00 0.00 C ATOM 1028 C THR A 72 -5.027 -3.406 -18.711 1.00 0.00 C ATOM 1029 O THR A 72 -4.354 -3.852 -19.640 1.00 0.00 O ATOM 1030 CB THR A 72 -2.969 -3.530 -17.307 1.00 0.00 C ATOM 1031 OG1 THR A 72 -3.100 -4.939 -17.081 1.00 0.00 O ATOM 1032 CG2 THR A 72 -2.190 -2.900 -16.163 1.00 0.00 C ATOM 0 H THR A 72 -4.993 -4.039 -15.810 1.00 0.00 H new ATOM 0 HA THR A 72 -4.247 -1.804 -17.513 1.00 0.00 H new ATOM 0 HB THR A 72 -2.423 -3.360 -18.235 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.210 -5.341 -16.997 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.210 -3.372 -16.087 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.066 -1.834 -16.351 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.735 -3.043 -15.230 1.00 0.00 H new ATOM 1040 N GLU A 73 -6.355 -3.346 -18.744 1.00 0.00 N ATOM 1041 CA GLU A 73 -7.113 -3.811 -19.898 1.00 0.00 C ATOM 1042 C GLU A 73 -7.335 -2.678 -20.895 1.00 0.00 C ATOM 1043 O GLU A 73 -8.329 -1.954 -20.818 1.00 0.00 O ATOM 1044 CB GLU A 73 -8.460 -4.385 -19.454 1.00 0.00 C ATOM 1045 CG GLU A 73 -8.657 -5.843 -19.840 1.00 0.00 C ATOM 1046 CD GLU A 73 -8.064 -6.172 -21.196 1.00 0.00 C ATOM 1047 OE1 GLU A 73 -8.681 -5.803 -22.218 1.00 0.00 O ATOM 1048 OE2 GLU A 73 -6.985 -6.797 -21.236 1.00 0.00 O ATOM 0 H GLU A 73 -6.928 -2.979 -17.984 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.536 -4.595 -20.388 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.547 -4.289 -18.372 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.261 -3.790 -19.892 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.200 -6.480 -19.083 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.723 -6.072 -19.848 1.00 0.00 H new ATOM 1055 N GLY A 74 -6.404 -2.528 -21.831 1.00 0.00 N ATOM 1056 CA GLY A 74 -6.516 -1.482 -22.829 1.00 0.00 C ATOM 1057 C GLY A 74 -5.292 -0.590 -22.874 1.00 0.00 C ATOM 1058 O GLY A 74 -4.800 -0.251 -23.951 1.00 0.00 O ATOM 0 H GLY A 74 -5.573 -3.113 -21.916 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.668 -1.934 -23.809 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.396 -0.875 -22.617 1.00 0.00 H new ATOM 1062 N ARG A 75 -4.797 -0.207 -21.701 1.00 0.00 N ATOM 1063 CA ARG A 75 -3.622 0.652 -21.610 1.00 0.00 C ATOM 1064 C ARG A 75 -2.344 -0.150 -21.835 1.00 0.00 C ATOM 1065 O ARG A 75 -2.149 -1.208 -21.236 1.00 0.00 O ATOM 1066 CB ARG A 75 -3.572 1.340 -20.245 1.00 0.00 C ATOM 1067 CG ARG A 75 -4.591 2.457 -20.089 1.00 0.00 C ATOM 1068 CD ARG A 75 -4.761 3.241 -21.381 1.00 0.00 C ATOM 1069 NE ARG A 75 -3.495 3.790 -21.858 1.00 0.00 N ATOM 1070 CZ ARG A 75 -3.385 4.549 -22.944 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -4.461 4.846 -23.660 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -2.199 5.013 -23.313 1.00 0.00 N ATOM 0 H ARG A 75 -5.192 -0.478 -20.800 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.696 1.411 -22.389 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.739 0.596 -19.466 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.573 1.747 -20.089 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.551 2.036 -19.789 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.275 3.131 -19.292 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.186 2.591 -22.146 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.471 4.052 -21.222 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.649 3.580 -21.329 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.375 4.492 -23.378 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.375 5.428 -24.493 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.370 4.788 -22.763 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.116 5.595 -24.146 1.00 0.00 H new ATOM 1086 N GLN A 76 -1.475 0.361 -22.702 1.00 0.00 N ATOM 1087 CA GLN A 76 -0.216 -0.308 -23.006 1.00 0.00 C ATOM 1088 C GLN A 76 0.969 0.511 -22.502 1.00 0.00 C ATOM 1089 O GLN A 76 2.042 0.503 -23.106 1.00 0.00 O ATOM 1090 CB GLN A 76 -0.088 -0.537 -24.513 1.00 0.00 C ATOM 1091 CG GLN A 76 0.370 -1.941 -24.877 1.00 0.00 C ATOM 1092 CD GLN A 76 1.875 -2.040 -25.034 1.00 0.00 C ATOM 1093 OE1 GLN A 76 2.572 -1.028 -25.111 1.00 0.00 O ATOM 1094 NE2 GLN A 76 2.384 -3.265 -25.082 1.00 0.00 N ATOM 0 H GLN A 76 -1.620 1.236 -23.206 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.212 -1.272 -22.497 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.051 -0.344 -24.985 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.618 0.185 -24.923 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.042 -2.638 -24.106 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.110 -2.246 -25.807 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.769 -4.076 -25.014 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.390 -3.395 -25.186 1.00 0.00 H new ATOM 1103 N ASP A 77 0.768 1.214 -21.392 1.00 0.00 N ATOM 1104 CA ASP A 77 1.820 2.036 -20.808 1.00 0.00 C ATOM 1105 C ASP A 77 2.445 1.343 -19.601 1.00 0.00 C ATOM 1106 O ASP A 77 3.489 1.763 -19.102 1.00 0.00 O ATOM 1107 CB ASP A 77 1.261 3.399 -20.395 1.00 0.00 C ATOM 1108 CG ASP A 77 0.414 4.030 -21.483 1.00 0.00 C ATOM 1109 OD1 ASP A 77 -0.498 3.348 -21.996 1.00 0.00 O ATOM 1110 OD2 ASP A 77 0.662 5.207 -21.820 1.00 0.00 O ATOM 0 H ASP A 77 -0.114 1.230 -20.880 1.00 0.00 H new ATOM 0 HA ASP A 77 2.594 2.182 -21.562 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.661 3.284 -19.492 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.086 4.067 -20.147 1.00 0.00 H new ATOM 1115 N GLY A 78 1.797 0.279 -19.135 1.00 0.00 N ATOM 1116 CA GLY A 78 2.305 -0.454 -17.990 1.00 0.00 C ATOM 1117 C GLY A 78 1.397 -0.340 -16.780 1.00 0.00 C ATOM 1118 O GLY A 78 0.800 -1.326 -16.349 1.00 0.00 O ATOM 0 H GLY A 78 0.931 -0.088 -19.529 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.420 -1.505 -18.257 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.296 -0.080 -17.733 1.00 0.00 H new ATOM 1122 N HIS A 79 1.296 0.866 -16.231 1.00 0.00 N ATOM 1123 CA HIS A 79 0.456 1.106 -15.064 1.00 0.00 C ATOM 1124 C HIS A 79 -0.991 0.714 -15.345 1.00 0.00 C ATOM 1125 O HIS A 79 -1.332 0.315 -16.458 1.00 0.00 O ATOM 1126 CB HIS A 79 0.527 2.578 -14.652 1.00 0.00 C ATOM 1127 CG HIS A 79 1.827 2.961 -14.018 1.00 0.00 C ATOM 1128 ND1 HIS A 79 1.920 3.479 -12.744 1.00 0.00 N ATOM 1129 CD2 HIS A 79 3.096 2.898 -14.490 1.00 0.00 C ATOM 1130 CE1 HIS A 79 3.188 3.720 -12.459 1.00 0.00 C ATOM 1131 NE2 HIS A 79 3.922 3.374 -13.502 1.00 0.00 N ATOM 0 H HIS A 79 1.785 1.692 -16.576 1.00 0.00 H new ATOM 0 HA HIS A 79 0.829 0.489 -14.247 1.00 0.00 H new ATOM 0 HB2 HIS A 79 0.364 3.201 -15.531 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.284 2.791 -13.956 1.00 0.00 H new ATOM 0 HD2 HIS A 79 3.401 2.540 -15.462 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.561 4.130 -11.532 1.00 0.00 H new ATOM 0 HE2 HIS A 79 4.937 3.448 -13.563 1.00 0.00 H new ATOM 1140 N LEU A 80 -1.839 0.830 -14.327 1.00 0.00 N ATOM 1141 CA LEU A 80 -3.250 0.487 -14.465 1.00 0.00 C ATOM 1142 C LEU A 80 -4.109 1.744 -14.545 1.00 0.00 C ATOM 1143 O LEU A 80 -3.689 2.823 -14.130 1.00 0.00 O ATOM 1144 CB LEU A 80 -3.702 -0.381 -13.289 1.00 0.00 C ATOM 1145 CG LEU A 80 -2.872 -1.644 -13.060 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -1.521 -1.292 -12.455 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -3.621 -2.620 -12.166 1.00 0.00 C ATOM 0 H LEU A 80 -1.574 1.159 -13.399 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.374 -0.075 -15.391 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.676 0.222 -12.381 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.740 -0.671 -13.449 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.702 -2.124 -14.024 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.944 -2.203 -12.299 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.980 -0.631 -13.132 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.670 -0.789 -11.500 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.015 -3.513 -12.014 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.823 -2.150 -11.203 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.563 -2.897 -12.639 1.00 0.00 H new ATOM 1159 N TRP A 81 -5.316 1.595 -15.083 1.00 0.00 N ATOM 1160 CA TRP A 81 -6.235 2.719 -15.218 1.00 0.00 C ATOM 1161 C TRP A 81 -7.582 2.399 -14.576 1.00 0.00 C ATOM 1162 O TRP A 81 -7.898 1.237 -14.322 1.00 0.00 O ATOM 1163 CB TRP A 81 -6.430 3.072 -16.694 1.00 0.00 C ATOM 1164 CG TRP A 81 -7.021 1.955 -17.500 1.00 0.00 C ATOM 1165 CD1 TRP A 81 -6.372 0.847 -17.966 1.00 0.00 C ATOM 1166 CD2 TRP A 81 -8.380 1.838 -17.935 1.00 0.00 C ATOM 1167 NE1 TRP A 81 -7.245 0.049 -18.665 1.00 0.00 N ATOM 1168 CE2 TRP A 81 -8.483 0.635 -18.660 1.00 0.00 C ATOM 1169 CE3 TRP A 81 -9.519 2.632 -17.782 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 -9.681 0.210 -19.230 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 -10.707 2.209 -18.349 1.00 0.00 C ATOM 1172 CH2 TRP A 81 -10.780 1.008 -19.064 1.00 0.00 C ATOM 0 H TRP A 81 -5.679 0.708 -15.432 1.00 0.00 H new ATOM 0 HA TRP A 81 -5.801 3.576 -14.702 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -7.077 3.946 -16.769 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -5.468 3.351 -17.124 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -5.326 0.630 -17.808 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -7.010 -0.836 -19.115 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -9.473 3.560 -17.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -9.740 -0.716 -19.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -11.594 2.816 -18.238 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -11.723 0.705 -19.494 1.00 0.00 H new ATOM 1183 N CYS A 82 -8.370 3.437 -14.317 1.00 0.00 N ATOM 1184 CA CYS A 82 -9.682 3.266 -13.705 1.00 0.00 C ATOM 1185 C CYS A 82 -10.710 4.187 -14.353 1.00 0.00 C ATOM 1186 O CYS A 82 -10.374 5.271 -14.830 1.00 0.00 O ATOM 1187 CB CYS A 82 -9.607 3.547 -12.202 1.00 0.00 C ATOM 1188 SG CYS A 82 -9.301 5.294 -11.786 1.00 0.00 S ATOM 0 H CYS A 82 -8.123 4.405 -14.521 1.00 0.00 H new ATOM 0 HA CYS A 82 -9.995 2.234 -13.861 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.542 3.232 -11.737 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -8.814 2.937 -11.768 1.00 0.00 H new ATOM 1193 N SER A 83 -11.964 3.748 -14.367 1.00 0.00 N ATOM 1194 CA SER A 83 -13.042 4.532 -14.957 1.00 0.00 C ATOM 1195 C SER A 83 -13.482 5.646 -14.013 1.00 0.00 C ATOM 1196 O SER A 83 -13.822 5.395 -12.856 1.00 0.00 O ATOM 1197 CB SER A 83 -14.233 3.633 -15.292 1.00 0.00 C ATOM 1198 OG SER A 83 -15.367 4.400 -15.656 1.00 0.00 O ATOM 0 H SER A 83 -12.259 2.853 -13.976 1.00 0.00 H new ATOM 0 HA SER A 83 -12.668 4.983 -15.876 1.00 0.00 H new ATOM 0 HB2 SER A 83 -13.967 2.962 -16.109 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.474 3.008 -14.432 1.00 0.00 H new ATOM 0 HG SER A 83 -16.030 4.366 -14.935 1.00 0.00 H new ATOM 1204 N THR A 84 -13.473 6.878 -14.512 1.00 0.00 N ATOM 1205 CA THR A 84 -13.870 8.030 -13.713 1.00 0.00 C ATOM 1206 C THR A 84 -15.348 8.351 -13.906 1.00 0.00 C ATOM 1207 O THR A 84 -15.725 9.511 -14.075 1.00 0.00 O ATOM 1208 CB THR A 84 -13.036 9.274 -14.068 1.00 0.00 C ATOM 1209 OG1 THR A 84 -12.781 9.308 -15.478 1.00 0.00 O ATOM 1210 CG2 THR A 84 -11.717 9.278 -13.310 1.00 0.00 C ATOM 0 H THR A 84 -13.195 7.103 -15.467 1.00 0.00 H new ATOM 0 HA THR A 84 -13.691 7.767 -12.670 1.00 0.00 H new ATOM 0 HB THR A 84 -13.605 10.158 -13.780 1.00 0.00 H new ATOM 0 HG1 THR A 84 -11.934 9.771 -15.646 1.00 0.00 H new ATOM 0 HG21 THR A 84 -11.146 10.167 -13.578 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.913 9.283 -12.238 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.145 8.387 -13.570 1.00 0.00 H new ATOM 1218 N THR A 85 -16.181 7.316 -13.882 1.00 0.00 N ATOM 1219 CA THR A 85 -17.619 7.488 -14.054 1.00 0.00 C ATOM 1220 C THR A 85 -18.330 6.141 -14.130 1.00 0.00 C ATOM 1221 O THR A 85 -17.949 5.271 -14.914 1.00 0.00 O ATOM 1222 CB THR A 85 -17.939 8.297 -15.324 1.00 0.00 C ATOM 1223 OG1 THR A 85 -16.889 8.137 -16.286 1.00 0.00 O ATOM 1224 CG2 THR A 85 -18.113 9.772 -14.996 1.00 0.00 C ATOM 0 H THR A 85 -15.885 6.349 -13.745 1.00 0.00 H new ATOM 0 HA THR A 85 -17.978 8.036 -13.183 1.00 0.00 H new ATOM 0 HB THR A 85 -18.873 7.921 -15.742 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.158 7.475 -16.957 1.00 0.00 H new ATOM 0 HG21 THR A 85 -18.338 10.324 -15.909 1.00 0.00 H new ATOM 0 HG22 THR A 85 -18.932 9.893 -14.287 1.00 0.00 H new ATOM 0 HG23 THR A 85 -17.193 10.158 -14.557 1.00 0.00 H new ATOM 1232 N SER A 86 -19.362 5.976 -13.312 1.00 0.00 N ATOM 1233 CA SER A 86 -20.127 4.734 -13.287 1.00 0.00 C ATOM 1234 C SER A 86 -20.265 4.151 -14.689 1.00 0.00 C ATOM 1235 O SER A 86 -19.763 3.064 -14.973 1.00 0.00 O ATOM 1236 CB SER A 86 -21.512 4.976 -12.684 1.00 0.00 C ATOM 1237 OG SER A 86 -22.475 5.213 -13.695 1.00 0.00 O ATOM 0 H SER A 86 -19.689 6.686 -12.657 1.00 0.00 H new ATOM 0 HA SER A 86 -19.588 4.017 -12.667 1.00 0.00 H new ATOM 0 HB2 SER A 86 -21.809 4.112 -12.090 1.00 0.00 H new ATOM 0 HB3 SER A 86 -21.473 5.830 -12.007 1.00 0.00 H new ATOM 0 HG SER A 86 -22.463 6.161 -13.942 1.00 0.00 H new ATOM 1243 N ASN A 87 -20.949 4.883 -15.564 1.00 0.00 N ATOM 1244 CA ASN A 87 -21.152 4.439 -16.938 1.00 0.00 C ATOM 1245 C ASN A 87 -19.923 4.732 -17.791 1.00 0.00 C ATOM 1246 O ASN A 87 -19.895 5.708 -18.543 1.00 0.00 O ATOM 1247 CB ASN A 87 -22.381 5.122 -17.539 1.00 0.00 C ATOM 1248 CG ASN A 87 -23.455 5.396 -16.505 1.00 0.00 C ATOM 1249 OD1 ASN A 87 -23.289 6.245 -15.630 1.00 0.00 O ATOM 1250 ND2 ASN A 87 -24.566 4.676 -16.601 1.00 0.00 N ATOM 0 H ASN A 87 -21.371 5.785 -15.345 1.00 0.00 H new ATOM 0 HA ASN A 87 -21.314 3.361 -16.926 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -22.080 6.061 -18.004 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -22.793 4.493 -18.328 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -25.324 4.816 -15.933 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -24.662 3.982 -17.343 1.00 0.00 H new ATOM 1257 N TYR A 88 -18.908 3.883 -17.671 1.00 0.00 N ATOM 1258 CA TYR A 88 -17.676 4.051 -18.433 1.00 0.00 C ATOM 1259 C TYR A 88 -17.951 4.000 -19.932 1.00 0.00 C ATOM 1260 O TYR A 88 -17.468 4.840 -20.691 1.00 0.00 O ATOM 1261 CB TYR A 88 -16.664 2.969 -18.050 1.00 0.00 C ATOM 1262 CG TYR A 88 -15.441 2.942 -18.938 1.00 0.00 C ATOM 1263 CD1 TYR A 88 -14.391 3.829 -18.733 1.00 0.00 C ATOM 1264 CD2 TYR A 88 -15.336 2.031 -19.981 1.00 0.00 C ATOM 1265 CE1 TYR A 88 -13.271 3.808 -19.542 1.00 0.00 C ATOM 1266 CE2 TYR A 88 -14.219 2.003 -20.794 1.00 0.00 C ATOM 1267 CZ TYR A 88 -13.190 2.893 -20.571 1.00 0.00 C ATOM 1268 OH TYR A 88 -12.076 2.869 -21.380 1.00 0.00 O ATOM 0 H TYR A 88 -18.914 3.071 -17.053 1.00 0.00 H new ATOM 0 HA TYR A 88 -17.260 5.029 -18.193 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -16.350 3.126 -17.018 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -17.153 1.996 -18.090 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -14.451 4.547 -17.928 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -16.141 1.333 -20.160 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -12.464 4.504 -19.370 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -14.152 1.287 -21.600 1.00 0.00 H new ATOM 0 HH TYR A 88 -11.370 2.344 -20.949 1.00 0.00 H new ATOM 1278 N GLU A 89 -18.729 3.009 -20.352 1.00 0.00 N ATOM 1279 CA GLU A 89 -19.068 2.848 -21.762 1.00 0.00 C ATOM 1280 C GLU A 89 -19.650 4.137 -22.332 1.00 0.00 C ATOM 1281 O GLU A 89 -19.399 4.487 -23.485 1.00 0.00 O ATOM 1282 CB GLU A 89 -20.064 1.701 -21.941 1.00 0.00 C ATOM 1283 CG GLU A 89 -19.518 0.542 -22.758 1.00 0.00 C ATOM 1284 CD GLU A 89 -20.294 -0.742 -22.541 1.00 0.00 C ATOM 1285 OE1 GLU A 89 -20.266 -1.269 -21.410 1.00 0.00 O ATOM 1286 OE2 GLU A 89 -20.929 -1.220 -23.504 1.00 0.00 O ATOM 0 H GLU A 89 -19.137 2.305 -19.737 1.00 0.00 H new ATOM 0 HA GLU A 89 -18.153 2.613 -22.306 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -20.362 1.334 -20.959 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -20.963 2.084 -22.425 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -19.545 0.804 -23.816 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -18.473 0.379 -22.496 1.00 0.00 H new ATOM 1293 N GLN A 90 -20.430 4.840 -21.516 1.00 0.00 N ATOM 1294 CA GLN A 90 -21.049 6.090 -21.940 1.00 0.00 C ATOM 1295 C GLN A 90 -20.062 7.248 -21.835 1.00 0.00 C ATOM 1296 O GLN A 90 -19.631 7.802 -22.846 1.00 0.00 O ATOM 1297 CB GLN A 90 -22.288 6.382 -21.091 1.00 0.00 C ATOM 1298 CG GLN A 90 -23.598 6.145 -21.825 1.00 0.00 C ATOM 1299 CD GLN A 90 -24.564 7.304 -21.684 1.00 0.00 C ATOM 1300 OE1 GLN A 90 -24.380 8.182 -20.841 1.00 0.00 O ATOM 1301 NE2 GLN A 90 -25.603 7.313 -22.511 1.00 0.00 N ATOM 0 H GLN A 90 -20.648 4.565 -20.558 1.00 0.00 H new ATOM 0 HA GLN A 90 -21.348 5.984 -22.983 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -22.263 5.756 -20.199 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -22.252 7.418 -20.755 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -23.392 5.975 -22.882 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -24.066 5.238 -21.442 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -25.717 6.565 -23.195 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -26.287 8.068 -22.462 1.00 0.00 H new ATOM 1310 N ASP A 91 -19.710 7.610 -20.606 1.00 0.00 N ATOM 1311 CA ASP A 91 -18.775 8.704 -20.370 1.00 0.00 C ATOM 1312 C ASP A 91 -17.388 8.359 -20.906 1.00 0.00 C ATOM 1313 O ASP A 91 -16.793 9.132 -21.656 1.00 0.00 O ATOM 1314 CB ASP A 91 -18.691 9.018 -18.875 1.00 0.00 C ATOM 1315 CG ASP A 91 -19.321 10.353 -18.528 1.00 0.00 C ATOM 1316 OD1 ASP A 91 -18.816 11.389 -19.009 1.00 0.00 O ATOM 1317 OD2 ASP A 91 -20.320 10.363 -17.778 1.00 0.00 O ATOM 0 H ASP A 91 -20.058 7.162 -19.758 1.00 0.00 H new ATOM 0 HA ASP A 91 -19.143 9.583 -20.899 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -19.188 8.228 -18.312 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -17.646 9.021 -18.565 1.00 0.00 H new ATOM 1322 N GLN A 92 -16.881 7.195 -20.515 1.00 0.00 N ATOM 1323 CA GLN A 92 -15.565 6.747 -20.956 1.00 0.00 C ATOM 1324 C GLN A 92 -14.469 7.316 -20.060 1.00 0.00 C ATOM 1325 O GLN A 92 -13.319 6.877 -20.114 1.00 0.00 O ATOM 1326 CB GLN A 92 -15.321 7.162 -22.407 1.00 0.00 C ATOM 1327 CG GLN A 92 -14.400 6.217 -23.164 1.00 0.00 C ATOM 1328 CD GLN A 92 -15.155 5.294 -24.101 1.00 0.00 C ATOM 1329 OE1 GLN A 92 -16.405 4.999 -23.761 1.00 0.00 O flip ATOM 1330 NE2 GLN A 92 -14.621 4.851 -25.118 1.00 0.00 N flip ATOM 0 H GLN A 92 -17.361 6.544 -19.893 1.00 0.00 H new ATOM 0 HA GLN A 92 -15.537 5.659 -20.888 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -16.278 7.217 -22.926 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -14.892 8.164 -22.422 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -13.679 6.800 -23.737 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -13.832 5.620 -22.451 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -13.658 5.104 -25.340 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.141 4.231 -25.738 1.00 0.00 H new ATOM 1339 N LYS A 93 -14.831 8.294 -19.236 1.00 0.00 N ATOM 1340 CA LYS A 93 -13.877 8.921 -18.329 1.00 0.00 C ATOM 1341 C LYS A 93 -13.035 7.867 -17.617 1.00 0.00 C ATOM 1342 O LYS A 93 -13.524 6.787 -17.287 1.00 0.00 O ATOM 1343 CB LYS A 93 -14.610 9.785 -17.302 1.00 0.00 C ATOM 1344 CG LYS A 93 -15.736 10.615 -17.898 1.00 0.00 C ATOM 1345 CD LYS A 93 -15.538 12.097 -17.625 1.00 0.00 C ATOM 1346 CE LYS A 93 -16.842 12.868 -17.763 1.00 0.00 C ATOM 1347 NZ LYS A 93 -17.090 13.293 -19.168 1.00 0.00 N ATOM 0 H LYS A 93 -15.778 8.669 -19.178 1.00 0.00 H new ATOM 0 HA LYS A 93 -13.214 9.555 -18.918 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -15.018 9.141 -16.523 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -13.893 10.451 -16.822 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.785 10.445 -18.974 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -16.689 10.291 -17.480 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -15.138 12.233 -16.620 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -14.800 12.501 -18.319 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -17.669 12.246 -17.420 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -16.815 13.746 -17.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -17.322 14.307 -19.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -16.237 13.121 -19.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -17.885 12.749 -19.560 1.00 0.00 H new ATOM 1361 N TYR A 94 -11.766 8.188 -17.385 1.00 0.00 N ATOM 1362 CA TYR A 94 -10.857 7.266 -16.713 1.00 0.00 C ATOM 1363 C TYR A 94 -9.598 7.986 -16.243 1.00 0.00 C ATOM 1364 O TYR A 94 -9.416 9.175 -16.503 1.00 0.00 O ATOM 1365 CB TYR A 94 -10.482 6.116 -17.649 1.00 0.00 C ATOM 1366 CG TYR A 94 -9.632 6.542 -18.824 1.00 0.00 C ATOM 1367 CD1 TYR A 94 -8.340 7.019 -18.637 1.00 0.00 C ATOM 1368 CD2 TYR A 94 -10.121 6.470 -20.122 1.00 0.00 C ATOM 1369 CE1 TYR A 94 -7.561 7.410 -19.708 1.00 0.00 C ATOM 1370 CE2 TYR A 94 -9.347 6.859 -21.200 1.00 0.00 C ATOM 1371 CZ TYR A 94 -8.069 7.328 -20.987 1.00 0.00 C ATOM 1372 OH TYR A 94 -7.296 7.717 -22.057 1.00 0.00 O ATOM 0 H TYR A 94 -11.344 9.078 -17.652 1.00 0.00 H new ATOM 0 HA TYR A 94 -11.369 6.863 -15.839 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -9.946 5.356 -17.080 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -11.394 5.650 -18.022 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.938 7.085 -17.637 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -11.123 6.104 -20.292 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.559 7.778 -19.545 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.742 6.796 -22.203 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.802 7.595 -22.887 1.00 0.00 H new ATOM 1382 N SER A 95 -8.731 7.256 -15.548 1.00 0.00 N ATOM 1383 CA SER A 95 -7.487 7.823 -15.040 1.00 0.00 C ATOM 1384 C SER A 95 -6.507 6.721 -14.651 1.00 0.00 C ATOM 1385 O SER A 95 -6.901 5.694 -14.098 1.00 0.00 O ATOM 1386 CB SER A 95 -7.767 8.723 -13.835 1.00 0.00 C ATOM 1387 OG SER A 95 -8.753 9.694 -14.139 1.00 0.00 O ATOM 0 H SER A 95 -8.867 6.270 -15.324 1.00 0.00 H new ATOM 0 HA SER A 95 -7.038 8.420 -15.833 1.00 0.00 H new ATOM 0 HB2 SER A 95 -8.099 8.115 -12.993 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.847 9.219 -13.527 1.00 0.00 H new ATOM 0 HG SER A 95 -8.817 9.802 -15.111 1.00 0.00 H new ATOM 1393 N PHE A 96 -5.229 6.940 -14.943 1.00 0.00 N ATOM 1394 CA PHE A 96 -4.194 5.964 -14.624 1.00 0.00 C ATOM 1395 C PHE A 96 -3.828 6.021 -13.144 1.00 0.00 C ATOM 1396 O PHE A 96 -3.624 7.099 -12.585 1.00 0.00 O ATOM 1397 CB PHE A 96 -2.950 6.212 -15.478 1.00 0.00 C ATOM 1398 CG PHE A 96 -3.252 6.818 -16.818 1.00 0.00 C ATOM 1399 CD1 PHE A 96 -4.138 6.202 -17.687 1.00 0.00 C ATOM 1400 CD2 PHE A 96 -2.649 8.003 -17.209 1.00 0.00 C ATOM 1401 CE1 PHE A 96 -4.418 6.758 -18.921 1.00 0.00 C ATOM 1402 CE2 PHE A 96 -2.925 8.563 -18.442 1.00 0.00 C ATOM 1403 CZ PHE A 96 -3.811 7.939 -19.299 1.00 0.00 C ATOM 0 H PHE A 96 -4.886 7.785 -15.400 1.00 0.00 H new ATOM 0 HA PHE A 96 -4.586 4.971 -14.844 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -2.272 6.871 -14.935 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -2.426 5.267 -15.625 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -4.615 5.277 -17.397 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -1.956 8.494 -16.543 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.111 6.269 -19.589 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.449 9.487 -18.735 1.00 0.00 H new ATOM 0 HZ PHE A 96 -4.028 8.374 -20.263 1.00 0.00 H new ATOM 1413 N CYS A 97 -3.744 4.854 -12.516 1.00 0.00 N ATOM 1414 CA CYS A 97 -3.400 4.770 -11.101 1.00 0.00 C ATOM 1415 C CYS A 97 -1.892 4.886 -10.903 1.00 0.00 C ATOM 1416 O CYS A 97 -1.141 5.051 -11.864 1.00 0.00 O ATOM 1417 CB CYS A 97 -3.903 3.452 -10.509 1.00 0.00 C ATOM 1418 SG CYS A 97 -5.333 2.739 -11.387 1.00 0.00 S ATOM 0 H CYS A 97 -3.909 3.953 -12.964 1.00 0.00 H new ATOM 0 HA CYS A 97 -3.883 5.599 -10.584 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -3.088 2.728 -10.517 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -4.175 3.615 -9.466 1.00 0.00 H new ATOM 1423 N THR A 98 -1.456 4.801 -9.650 1.00 0.00 N ATOM 1424 CA THR A 98 -0.037 4.897 -9.331 1.00 0.00 C ATOM 1425 C THR A 98 0.521 3.552 -8.885 1.00 0.00 C ATOM 1426 O THR A 98 0.057 2.973 -7.902 1.00 0.00 O ATOM 1427 CB THR A 98 0.224 5.935 -8.226 1.00 0.00 C ATOM 1428 OG1 THR A 98 0.367 5.280 -6.960 1.00 0.00 O ATOM 1429 CG2 THR A 98 -0.910 6.945 -8.155 1.00 0.00 C ATOM 0 H THR A 98 -2.063 4.666 -8.842 1.00 0.00 H new ATOM 0 HA THR A 98 0.467 5.213 -10.244 1.00 0.00 H new ATOM 0 HB THR A 98 1.146 6.464 -8.466 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.534 5.948 -6.263 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.704 7.669 -7.367 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.996 7.463 -9.110 1.00 0.00 H new ATOM 0 HG23 THR A 98 -1.845 6.428 -7.937 1.00 0.00 H new ATOM 1437 N ASP A 99 1.519 3.066 -9.617 1.00 0.00 N ATOM 1438 CA ASP A 99 2.154 1.787 -9.312 1.00 0.00 C ATOM 1439 C ASP A 99 1.168 0.820 -8.672 1.00 0.00 C ATOM 1440 O ASP A 99 1.509 0.096 -7.737 1.00 0.00 O ATOM 1441 CB ASP A 99 3.358 1.995 -8.391 1.00 0.00 C ATOM 1442 CG ASP A 99 4.072 0.697 -8.070 1.00 0.00 C ATOM 1443 OD1 ASP A 99 3.645 -0.358 -8.584 1.00 0.00 O ATOM 1444 OD2 ASP A 99 5.058 0.736 -7.304 1.00 0.00 O ATOM 0 H ASP A 99 1.908 3.542 -10.431 1.00 0.00 H new ATOM 0 HA ASP A 99 2.496 1.352 -10.251 1.00 0.00 H new ATOM 0 HB2 ASP A 99 4.058 2.684 -8.863 1.00 0.00 H new ATOM 0 HB3 ASP A 99 3.026 2.463 -7.464 1.00 0.00 H new ATOM 1449 N HIS A 100 -0.055 0.817 -9.186 1.00 0.00 N ATOM 1450 CA HIS A 100 -1.102 -0.059 -8.670 1.00 0.00 C ATOM 1451 C HIS A 100 -0.970 -0.235 -7.161 1.00 0.00 C ATOM 1452 O HIS A 100 -0.883 -1.359 -6.666 1.00 0.00 O ATOM 1453 CB HIS A 100 -1.043 -1.422 -9.362 1.00 0.00 C ATOM 1454 CG HIS A 100 0.281 -1.713 -9.999 1.00 0.00 C ATOM 1455 ND1 HIS A 100 1.043 -0.972 -10.838 1.00 0.00 N flip ATOM 1456 CD2 HIS A 100 0.969 -2.891 -9.797 1.00 0.00 C flip ATOM 1457 CE1 HIS A 100 2.167 -1.708 -11.123 1.00 0.00 C flip ATOM 1458 NE2 HIS A 100 2.099 -2.861 -10.484 1.00 0.00 N flip ATOM 0 H HIS A 100 -0.348 1.412 -9.961 1.00 0.00 H new ATOM 0 HA HIS A 100 -2.065 0.405 -8.880 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -1.265 -2.201 -8.632 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -1.821 -1.468 -10.124 1.00 0.00 H new ATOM 0 HD2 HIS A 100 0.637 -3.710 -9.175 1.00 0.00 H new ATOM 0 HE1 HIS A 100 2.976 -1.394 -11.766 1.00 0.00 H new ATOM 0 HE2 HIS A 100 2.799 -3.603 -10.515 1.00 0.00 H new ATOM 1467 N THR A 101 -0.960 0.884 -6.440 1.00 0.00 N ATOM 1468 CA THR A 101 -0.841 0.873 -4.986 1.00 0.00 C ATOM 1469 C THR A 101 -0.029 -0.324 -4.493 1.00 0.00 C ATOM 1470 O THR A 101 -0.542 -1.437 -4.372 1.00 0.00 O ATOM 1471 CB THR A 101 -2.228 0.873 -4.318 1.00 0.00 C ATOM 1472 OG1 THR A 101 -2.108 1.226 -2.934 1.00 0.00 O ATOM 1473 CG2 THR A 101 -2.900 -0.486 -4.443 1.00 0.00 C ATOM 0 H THR A 101 -1.034 1.817 -6.845 1.00 0.00 H new ATOM 0 HA THR A 101 -0.312 1.783 -4.704 1.00 0.00 H new ATOM 0 HB THR A 101 -2.846 1.610 -4.830 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.507 1.995 -2.843 1.00 0.00 H new ATOM 0 HG21 THR A 101 -3.877 -0.454 -3.962 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.022 -0.736 -5.497 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.282 -1.243 -3.960 1.00 0.00 H new ATOM 1481 N VAL A 102 1.246 -0.084 -4.207 1.00 0.00 N ATOM 1482 CA VAL A 102 2.135 -1.136 -3.728 1.00 0.00 C ATOM 1483 C VAL A 102 1.733 -1.605 -2.333 1.00 0.00 C ATOM 1484 O VAL A 102 2.154 -1.029 -1.330 1.00 0.00 O ATOM 1485 CB VAL A 102 3.598 -0.658 -3.696 1.00 0.00 C ATOM 1486 CG1 VAL A 102 3.716 0.650 -2.930 1.00 0.00 C ATOM 1487 CG2 VAL A 102 4.496 -1.724 -3.088 1.00 0.00 C ATOM 0 H VAL A 102 1.687 0.831 -4.299 1.00 0.00 H new ATOM 0 HA VAL A 102 2.046 -1.969 -4.425 1.00 0.00 H new ATOM 0 HB VAL A 102 3.926 -0.483 -4.721 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.757 0.972 -2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.106 1.412 -3.415 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.369 0.505 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.526 -1.367 -3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.171 -1.935 -2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.435 -2.634 -3.684 1.00 0.00 H new ATOM 1497 N LEU A 103 0.921 -2.656 -2.277 1.00 0.00 N ATOM 1498 CA LEU A 103 0.465 -3.204 -1.004 1.00 0.00 C ATOM 1499 C LEU A 103 -0.097 -4.609 -1.184 1.00 0.00 C ATOM 1500 O LEU A 103 -1.232 -4.781 -1.631 1.00 0.00 O ATOM 1501 CB LEU A 103 -0.595 -2.295 -0.381 1.00 0.00 C ATOM 1502 CG LEU A 103 -1.243 -1.300 -1.343 1.00 0.00 C ATOM 1503 CD1 LEU A 103 -2.721 -1.134 -1.024 1.00 0.00 C ATOM 1504 CD2 LEU A 103 -0.529 0.041 -1.280 1.00 0.00 C ATOM 0 H LEU A 103 0.565 -3.145 -3.098 1.00 0.00 H new ATOM 0 HA LEU A 103 1.324 -3.259 -0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.377 -2.919 0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.139 -1.740 0.439 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.153 -1.691 -2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.166 -0.422 -1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.224 -2.096 -1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.834 -0.765 -0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.003 0.738 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.589 0.438 -0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.517 -0.090 -1.557 1.00 0.00 H new ATOM 1516 N VAL A 104 0.700 -5.611 -0.825 1.00 0.00 N ATOM 1517 CA VAL A 104 0.274 -7.003 -0.940 1.00 0.00 C ATOM 1518 C VAL A 104 -0.080 -7.565 0.434 1.00 0.00 C ATOM 1519 O VAL A 104 0.552 -7.220 1.429 1.00 0.00 O ATOM 1520 CB VAL A 104 1.363 -7.879 -1.628 1.00 0.00 C ATOM 1521 CG1 VAL A 104 2.409 -6.997 -2.291 1.00 0.00 C ATOM 1522 CG2 VAL A 104 2.016 -8.869 -0.666 1.00 0.00 C ATOM 0 H VAL A 104 1.642 -5.486 -0.453 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.615 -7.030 -1.570 1.00 0.00 H new ATOM 0 HB VAL A 104 0.862 -8.473 -2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.163 -7.623 -2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 104 1.931 -6.368 -3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.883 -6.367 -1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.767 -9.453 -1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 104 2.492 -8.324 0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.256 -9.538 -0.261 1.00 0.00 H new ATOM 1532 N GLN A 105 -1.081 -8.432 0.485 1.00 0.00 N ATOM 1533 CA GLN A 105 -1.499 -9.029 1.747 1.00 0.00 C ATOM 1534 C GLN A 105 -0.725 -10.314 2.021 1.00 0.00 C ATOM 1535 O GLN A 105 -1.186 -11.410 1.703 1.00 0.00 O ATOM 1536 CB GLN A 105 -3.001 -9.318 1.727 1.00 0.00 C ATOM 1537 CG GLN A 105 -3.846 -8.191 2.301 1.00 0.00 C ATOM 1538 CD GLN A 105 -4.575 -8.595 3.566 1.00 0.00 C ATOM 1539 OE1 GLN A 105 -4.500 -7.909 4.586 1.00 0.00 O ATOM 1540 NE2 GLN A 105 -5.287 -9.714 3.508 1.00 0.00 N ATOM 0 H GLN A 105 -1.617 -8.737 -0.328 1.00 0.00 H new ATOM 0 HA GLN A 105 -1.285 -8.319 2.546 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.312 -9.507 0.700 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.195 -10.230 2.292 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -3.207 -7.334 2.513 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -4.572 -7.870 1.554 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.322 -10.252 2.642 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.799 -10.036 4.329 1.00 0.00 H new ATOM 1549 N THR A 106 0.457 -10.168 2.615 1.00 0.00 N ATOM 1550 CA THR A 106 1.302 -11.313 2.934 1.00 0.00 C ATOM 1551 C THR A 106 0.852 -11.985 4.226 1.00 0.00 C ATOM 1552 O THR A 106 0.381 -11.324 5.152 1.00 0.00 O ATOM 1553 CB THR A 106 2.779 -10.899 3.077 1.00 0.00 C ATOM 1554 OG1 THR A 106 2.871 -9.508 3.405 1.00 0.00 O ATOM 1555 CG2 THR A 106 3.545 -11.170 1.792 1.00 0.00 C ATOM 0 H THR A 106 0.851 -9.266 2.885 1.00 0.00 H new ATOM 0 HA THR A 106 1.206 -12.016 2.106 1.00 0.00 H new ATOM 0 HB THR A 106 3.221 -11.492 3.878 1.00 0.00 H new ATOM 0 HG1 THR A 106 2.267 -9.307 4.150 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.585 -10.869 1.918 1.00 0.00 H new ATOM 0 HG22 THR A 106 3.500 -12.234 1.559 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.099 -10.601 0.976 1.00 0.00 H new ATOM 1563 N ARG A 107 1.004 -13.305 4.283 1.00 0.00 N ATOM 1564 CA ARG A 107 0.617 -14.069 5.463 1.00 0.00 C ATOM 1565 C ARG A 107 1.737 -15.010 5.893 1.00 0.00 C ATOM 1566 O ARG A 107 2.238 -15.799 5.092 1.00 0.00 O ATOM 1567 CB ARG A 107 -0.658 -14.868 5.184 1.00 0.00 C ATOM 1568 CG ARG A 107 -1.761 -14.629 6.202 1.00 0.00 C ATOM 1569 CD ARG A 107 -1.876 -15.786 7.181 1.00 0.00 C ATOM 1570 NE ARG A 107 -2.658 -15.428 8.361 1.00 0.00 N ATOM 1571 CZ ARG A 107 -3.286 -16.317 9.125 1.00 0.00 C ATOM 1572 NH1 ARG A 107 -3.221 -17.609 8.833 1.00 0.00 N ATOM 1573 NH2 ARG A 107 -3.978 -15.915 10.182 1.00 0.00 N ATOM 0 H ARG A 107 1.392 -13.867 3.526 1.00 0.00 H new ATOM 0 HA ARG A 107 0.426 -13.366 6.274 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -1.029 -14.610 4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -0.415 -15.930 5.167 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -1.560 -13.707 6.748 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.711 -14.492 5.685 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -2.340 -16.637 6.683 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -0.879 -16.101 7.489 1.00 0.00 H new ATOM 0 HE ARG A 107 -2.726 -14.442 8.613 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -2.689 -17.922 8.021 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -3.703 -18.289 9.420 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -4.029 -14.922 10.410 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -4.459 -16.598 10.767 1.00 0.00 H new ATOM 1587 N GLY A 108 2.127 -14.920 7.160 1.00 0.00 N ATOM 1588 CA GLY A 108 3.187 -15.769 7.671 1.00 0.00 C ATOM 1589 C GLY A 108 3.287 -15.726 9.183 1.00 0.00 C ATOM 1590 O GLY A 108 2.281 -15.570 9.874 1.00 0.00 O ATOM 0 H GLY A 108 1.728 -14.275 7.842 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.012 -16.796 7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.138 -15.458 7.238 1.00 0.00 H new ATOM 1594 N GLY A 109 4.504 -15.865 9.698 1.00 0.00 N ATOM 1595 CA GLY A 109 4.709 -15.840 11.134 1.00 0.00 C ATOM 1596 C GLY A 109 5.354 -14.551 11.606 1.00 0.00 C ATOM 1597 O GLY A 109 5.206 -14.161 12.764 1.00 0.00 O ATOM 0 H GLY A 109 5.352 -15.995 9.146 1.00 0.00 H new ATOM 0 HA2 GLY A 109 3.751 -15.968 11.637 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.336 -16.683 11.423 1.00 0.00 H new ATOM 1601 N ASN A 110 6.073 -13.887 10.705 1.00 0.00 N ATOM 1602 CA ASN A 110 6.742 -12.634 11.036 1.00 0.00 C ATOM 1603 C ASN A 110 5.828 -11.443 10.766 1.00 0.00 C ATOM 1604 O ASN A 110 5.633 -10.589 11.631 1.00 0.00 O ATOM 1605 CB ASN A 110 8.034 -12.494 10.229 1.00 0.00 C ATOM 1606 CG ASN A 110 9.259 -12.906 11.021 1.00 0.00 C ATOM 1607 OD1 ASN A 110 9.148 -13.422 12.133 1.00 0.00 O ATOM 1608 ND2 ASN A 110 10.437 -12.677 10.451 1.00 0.00 N ATOM 0 H ASN A 110 6.207 -14.196 9.742 1.00 0.00 H new ATOM 0 HA ASN A 110 6.985 -12.649 12.098 1.00 0.00 H new ATOM 0 HB2 ASN A 110 7.965 -13.105 9.329 1.00 0.00 H new ATOM 0 HB3 ASN A 110 8.146 -11.459 9.904 1.00 0.00 H new ATOM 0 HD21 ASN A 110 11.297 -12.931 10.937 1.00 0.00 H new ATOM 0 HD22 ASN A 110 10.482 -12.247 9.527 1.00 0.00 H new ATOM 1615 N SER A 111 5.269 -11.394 9.562 1.00 0.00 N ATOM 1616 CA SER A 111 4.373 -10.310 9.178 1.00 0.00 C ATOM 1617 C SER A 111 2.959 -10.569 9.685 1.00 0.00 C ATOM 1618 O SER A 111 2.274 -9.652 10.139 1.00 0.00 O ATOM 1619 CB SER A 111 4.360 -10.147 7.657 1.00 0.00 C ATOM 1620 OG SER A 111 3.100 -10.506 7.116 1.00 0.00 O ATOM 0 H SER A 111 5.421 -12.093 8.835 1.00 0.00 H new ATOM 0 HA SER A 111 4.740 -9.390 9.632 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.590 -9.114 7.397 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.139 -10.768 7.215 1.00 0.00 H new ATOM 0 HG SER A 111 3.117 -10.391 6.143 1.00 0.00 H new ATOM 1626 N ASN A 112 2.527 -11.823 9.606 1.00 0.00 N ATOM 1627 CA ASN A 112 1.194 -12.203 10.057 1.00 0.00 C ATOM 1628 C ASN A 112 0.135 -11.290 9.452 1.00 0.00 C ATOM 1629 O ASN A 112 -0.466 -10.471 10.149 1.00 0.00 O ATOM 1630 CB ASN A 112 1.116 -12.153 11.585 1.00 0.00 C ATOM 1631 CG ASN A 112 2.143 -13.050 12.247 1.00 0.00 C ATOM 1632 OD1 ASN A 112 2.079 -14.275 12.132 1.00 0.00 O ATOM 1633 ND2 ASN A 112 3.097 -12.445 12.944 1.00 0.00 N ATOM 0 H ASN A 112 3.081 -12.594 9.233 1.00 0.00 H new ATOM 0 HA ASN A 112 1.002 -13.223 9.724 1.00 0.00 H new ATOM 0 HB2 ASN A 112 1.265 -11.126 11.920 1.00 0.00 H new ATOM 0 HB3 ASN A 112 0.118 -12.451 11.905 1.00 0.00 H new ATOM 0 HD21 ASN A 112 3.816 -12.998 13.411 1.00 0.00 H new ATOM 0 HD22 ASN A 112 3.111 -11.427 13.012 1.00 0.00 H new ATOM 1640 N GLY A 113 -0.092 -11.435 8.151 1.00 0.00 N ATOM 1641 CA GLY A 113 -1.080 -10.616 7.474 1.00 0.00 C ATOM 1642 C GLY A 113 -0.672 -9.157 7.402 1.00 0.00 C ATOM 1643 O GLY A 113 -1.425 -8.275 7.813 1.00 0.00 O ATOM 0 H GLY A 113 0.391 -12.106 7.553 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.234 -10.997 6.465 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.034 -10.698 7.995 1.00 0.00 H new ATOM 1647 N ALA A 114 0.524 -8.903 6.881 1.00 0.00 N ATOM 1648 CA ALA A 114 1.029 -7.541 6.760 1.00 0.00 C ATOM 1649 C ALA A 114 1.126 -7.115 5.303 1.00 0.00 C ATOM 1650 O ALA A 114 1.625 -7.857 4.460 1.00 0.00 O ATOM 1651 CB ALA A 114 2.384 -7.415 7.441 1.00 0.00 C ATOM 0 H ALA A 114 1.160 -9.622 6.536 1.00 0.00 H new ATOM 0 HA ALA A 114 0.322 -6.876 7.257 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.747 -6.392 7.342 1.00 0.00 H new ATOM 0 HB2 ALA A 114 2.285 -7.664 8.498 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.092 -8.099 6.972 1.00 0.00 H new ATOM 1657 N LEU A 115 0.647 -5.911 5.015 1.00 0.00 N ATOM 1658 CA LEU A 115 0.685 -5.386 3.660 1.00 0.00 C ATOM 1659 C LEU A 115 2.121 -5.339 3.148 1.00 0.00 C ATOM 1660 O LEU A 115 2.812 -4.333 3.308 1.00 0.00 O ATOM 1661 CB LEU A 115 0.063 -3.990 3.608 1.00 0.00 C ATOM 1662 CG LEU A 115 -0.510 -3.589 2.248 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -1.194 -4.777 1.589 1.00 0.00 C ATOM 1664 CD2 LEU A 115 -1.479 -2.427 2.398 1.00 0.00 C ATOM 0 H LEU A 115 0.229 -5.283 5.701 1.00 0.00 H new ATOM 0 HA LEU A 115 0.105 -6.050 3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.732 -3.935 4.351 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.820 -3.260 3.896 1.00 0.00 H new ATOM 0 HG LEU A 115 0.312 -3.267 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.596 -4.475 0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.471 -5.580 1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.006 -5.129 2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.876 -2.156 1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -2.299 -2.719 3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.958 -1.572 2.828 1.00 0.00 H new ATOM 1676 N CYS A 116 2.570 -6.435 2.542 1.00 0.00 N ATOM 1677 CA CYS A 116 3.931 -6.508 2.021 1.00 0.00 C ATOM 1678 C CYS A 116 4.323 -5.200 1.345 1.00 0.00 C ATOM 1679 O CYS A 116 3.559 -4.647 0.551 1.00 0.00 O ATOM 1680 CB CYS A 116 4.071 -7.667 1.034 1.00 0.00 C ATOM 1681 SG CYS A 116 5.789 -8.190 0.727 1.00 0.00 S ATOM 0 H CYS A 116 2.015 -7.279 2.400 1.00 0.00 H new ATOM 0 HA CYS A 116 4.602 -6.681 2.862 1.00 0.00 H new ATOM 0 HB2 CYS A 116 3.506 -8.520 1.411 1.00 0.00 H new ATOM 0 HB3 CYS A 116 3.617 -7.378 0.086 1.00 0.00 H new ATOM 1686 N HIS A 117 5.517 -4.714 1.668 1.00 0.00 N ATOM 1687 CA HIS A 117 6.019 -3.470 1.100 1.00 0.00 C ATOM 1688 C HIS A 117 6.934 -3.748 -0.088 1.00 0.00 C ATOM 1689 O HIS A 117 8.025 -4.297 0.070 1.00 0.00 O ATOM 1690 CB HIS A 117 6.769 -2.665 2.166 1.00 0.00 C ATOM 1691 CG HIS A 117 7.746 -1.678 1.606 1.00 0.00 C ATOM 1692 ND1 HIS A 117 8.925 -1.224 2.096 1.00 0.00 N flip ATOM 1693 CD2 HIS A 117 7.563 -1.037 0.399 1.00 0.00 C flip ATOM 1694 CE1 HIS A 117 9.426 -0.327 1.185 1.00 0.00 C flip ATOM 1695 NE2 HIS A 117 8.587 -0.233 0.170 1.00 0.00 N flip ATOM 0 H HIS A 117 6.156 -5.165 2.322 1.00 0.00 H new ATOM 0 HA HIS A 117 5.168 -2.886 0.749 1.00 0.00 H new ATOM 0 HB2 HIS A 117 6.044 -2.134 2.783 1.00 0.00 H new ATOM 0 HB3 HIS A 117 7.300 -3.355 2.821 1.00 0.00 H new ATOM 0 HD2 HIS A 117 6.715 -1.171 -0.257 1.00 0.00 H new ATOM 0 HE1 HIS A 117 10.356 0.214 1.283 1.00 0.00 H new ATOM 0 HE2 HIS A 117 8.708 0.359 -0.651 1.00 0.00 H new ATOM 1704 N PHE A 118 6.483 -3.364 -1.276 1.00 0.00 N ATOM 1705 CA PHE A 118 7.260 -3.569 -2.491 1.00 0.00 C ATOM 1706 C PHE A 118 7.779 -2.240 -3.032 1.00 0.00 C ATOM 1707 O PHE A 118 7.076 -1.231 -3.007 1.00 0.00 O ATOM 1708 CB PHE A 118 6.406 -4.263 -3.553 1.00 0.00 C ATOM 1709 CG PHE A 118 6.254 -5.743 -3.340 1.00 0.00 C ATOM 1710 CD1 PHE A 118 5.298 -6.239 -2.469 1.00 0.00 C ATOM 1711 CD2 PHE A 118 7.062 -6.638 -4.022 1.00 0.00 C ATOM 1712 CE1 PHE A 118 5.148 -7.601 -2.286 1.00 0.00 C ATOM 1713 CE2 PHE A 118 6.919 -8.000 -3.837 1.00 0.00 C ATOM 1714 CZ PHE A 118 5.960 -8.480 -2.971 1.00 0.00 C ATOM 0 H PHE A 118 5.582 -2.909 -1.423 1.00 0.00 H new ATOM 0 HA PHE A 118 8.113 -4.202 -2.247 1.00 0.00 H new ATOM 0 HB2 PHE A 118 5.417 -3.804 -3.567 1.00 0.00 H new ATOM 0 HB3 PHE A 118 6.851 -4.091 -4.533 1.00 0.00 H new ATOM 0 HD1 PHE A 118 4.663 -5.554 -1.927 1.00 0.00 H new ATOM 0 HD2 PHE A 118 7.812 -6.267 -4.705 1.00 0.00 H new ATOM 0 HE1 PHE A 118 4.396 -7.976 -1.608 1.00 0.00 H new ATOM 0 HE2 PHE A 118 7.558 -8.688 -4.371 1.00 0.00 H new ATOM 0 HZ PHE A 118 5.845 -9.544 -2.829 1.00 0.00 H new ATOM 1724 N PRO A 119 9.026 -2.225 -3.528 1.00 0.00 N ATOM 1725 CA PRO A 119 9.886 -3.408 -3.572 1.00 0.00 C ATOM 1726 C PRO A 119 10.393 -3.800 -2.189 1.00 0.00 C ATOM 1727 O PRO A 119 10.198 -3.073 -1.214 1.00 0.00 O ATOM 1728 CB PRO A 119 11.068 -2.985 -4.467 1.00 0.00 C ATOM 1729 CG PRO A 119 10.646 -1.681 -5.069 1.00 0.00 C ATOM 1730 CD PRO A 119 9.698 -1.055 -4.092 1.00 0.00 C ATOM 0 HA PRO A 119 9.347 -4.278 -3.948 1.00 0.00 H new ATOM 0 HB2 PRO A 119 11.984 -2.874 -3.886 1.00 0.00 H new ATOM 0 HB3 PRO A 119 11.267 -3.730 -5.237 1.00 0.00 H new ATOM 0 HG2 PRO A 119 11.507 -1.036 -5.243 1.00 0.00 H new ATOM 0 HG3 PRO A 119 10.164 -1.836 -6.034 1.00 0.00 H new ATOM 0 HD2 PRO A 119 10.220 -0.478 -3.329 1.00 0.00 H new ATOM 0 HD3 PRO A 119 8.997 -0.378 -4.580 1.00 0.00 H new ATOM 1738 N PHE A 120 11.048 -4.954 -2.112 1.00 0.00 N ATOM 1739 CA PHE A 120 11.589 -5.445 -0.850 1.00 0.00 C ATOM 1740 C PHE A 120 12.975 -6.045 -1.060 1.00 0.00 C ATOM 1741 O PHE A 120 13.165 -6.903 -1.919 1.00 0.00 O ATOM 1742 CB PHE A 120 10.654 -6.492 -0.242 1.00 0.00 C ATOM 1743 CG PHE A 120 10.657 -7.802 -0.978 1.00 0.00 C ATOM 1744 CD1 PHE A 120 9.877 -7.976 -2.110 1.00 0.00 C ATOM 1745 CD2 PHE A 120 11.438 -8.856 -0.537 1.00 0.00 C ATOM 1746 CE1 PHE A 120 9.878 -9.179 -2.789 1.00 0.00 C ATOM 1747 CE2 PHE A 120 11.443 -10.063 -1.212 1.00 0.00 C ATOM 1748 CZ PHE A 120 10.661 -10.224 -2.339 1.00 0.00 C ATOM 0 H PHE A 120 11.217 -5.567 -2.910 1.00 0.00 H new ATOM 0 HA PHE A 120 11.672 -4.603 -0.162 1.00 0.00 H new ATOM 0 HB2 PHE A 120 10.943 -6.667 0.794 1.00 0.00 H new ATOM 0 HB3 PHE A 120 9.639 -6.095 -0.227 1.00 0.00 H new ATOM 0 HD1 PHE A 120 9.262 -7.163 -2.465 1.00 0.00 H new ATOM 0 HD2 PHE A 120 12.050 -8.735 0.344 1.00 0.00 H new ATOM 0 HE1 PHE A 120 9.267 -9.302 -3.671 1.00 0.00 H new ATOM 0 HE2 PHE A 120 12.057 -10.878 -0.859 1.00 0.00 H new ATOM 0 HZ PHE A 120 10.662 -11.166 -2.868 1.00 0.00 H new ATOM 1758 N LEU A 121 13.942 -5.583 -0.274 1.00 0.00 N ATOM 1759 CA LEU A 121 15.309 -6.075 -0.385 1.00 0.00 C ATOM 1760 C LEU A 121 15.482 -7.394 0.360 1.00 0.00 C ATOM 1761 O LEU A 121 15.223 -7.481 1.561 1.00 0.00 O ATOM 1762 CB LEU A 121 16.300 -5.034 0.149 1.00 0.00 C ATOM 1763 CG LEU A 121 17.770 -5.462 0.120 1.00 0.00 C ATOM 1764 CD1 LEU A 121 18.030 -6.565 1.134 1.00 0.00 C ATOM 1765 CD2 LEU A 121 18.149 -5.911 -1.277 1.00 0.00 C ATOM 0 H LEU A 121 13.805 -4.871 0.444 1.00 0.00 H new ATOM 0 HA LEU A 121 15.515 -6.250 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 121 16.192 -4.120 -0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 121 16.029 -4.790 1.176 1.00 0.00 H new ATOM 0 HG LEU A 121 18.390 -4.608 0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 121 19.080 -6.854 1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 121 17.788 -6.204 2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 121 17.408 -7.429 0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 121 19.196 -6.214 -1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 121 17.523 -6.754 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 121 18.001 -5.088 -1.976 1.00 0.00 H new ATOM 1777 N TYR A 122 15.936 -8.413 -0.360 1.00 0.00 N ATOM 1778 CA TYR A 122 16.163 -9.729 0.224 1.00 0.00 C ATOM 1779 C TYR A 122 17.631 -10.116 0.096 1.00 0.00 C ATOM 1780 O TYR A 122 18.107 -10.419 -0.998 1.00 0.00 O ATOM 1781 CB TYR A 122 15.284 -10.779 -0.457 1.00 0.00 C ATOM 1782 CG TYR A 122 15.686 -12.201 -0.133 1.00 0.00 C ATOM 1783 CD1 TYR A 122 16.084 -12.553 1.151 1.00 0.00 C ATOM 1784 CD2 TYR A 122 15.667 -13.190 -1.108 1.00 0.00 C ATOM 1785 CE1 TYR A 122 16.452 -13.849 1.453 1.00 0.00 C ATOM 1786 CE2 TYR A 122 16.034 -14.489 -0.814 1.00 0.00 C ATOM 1787 CZ TYR A 122 16.425 -14.813 0.468 1.00 0.00 C ATOM 1788 OH TYR A 122 16.792 -16.106 0.765 1.00 0.00 O ATOM 0 H TYR A 122 16.155 -8.352 -1.354 1.00 0.00 H new ATOM 0 HA TYR A 122 15.898 -9.686 1.280 1.00 0.00 H new ATOM 0 HB2 TYR A 122 14.248 -10.625 -0.156 1.00 0.00 H new ATOM 0 HB3 TYR A 122 15.328 -10.634 -1.536 1.00 0.00 H new ATOM 0 HD1 TYR A 122 16.106 -11.800 1.925 1.00 0.00 H new ATOM 0 HD2 TYR A 122 15.360 -12.939 -2.113 1.00 0.00 H new ATOM 0 HE1 TYR A 122 16.759 -14.106 2.456 1.00 0.00 H new ATOM 0 HE2 TYR A 122 16.015 -15.246 -1.584 1.00 0.00 H new ATOM 0 HH TYR A 122 16.793 -16.642 -0.055 1.00 0.00 H new ATOM 1798 N ASN A 123 18.347 -10.092 1.214 1.00 0.00 N ATOM 1799 CA ASN A 123 19.765 -10.428 1.211 1.00 0.00 C ATOM 1800 C ASN A 123 20.521 -9.481 0.286 1.00 0.00 C ATOM 1801 O ASN A 123 21.143 -9.909 -0.686 1.00 0.00 O ATOM 1802 CB ASN A 123 19.971 -11.876 0.764 1.00 0.00 C ATOM 1803 CG ASN A 123 21.222 -12.492 1.358 1.00 0.00 C ATOM 1804 OD1 ASN A 123 21.038 -13.419 2.293 1.00 0.00 O flip ATOM 1805 ND2 ASN A 123 22.340 -12.141 0.983 1.00 0.00 N flip ATOM 0 H ASN A 123 17.971 -9.845 2.129 1.00 0.00 H new ATOM 0 HA ASN A 123 20.152 -10.321 2.224 1.00 0.00 H new ATOM 0 HB2 ASN A 123 19.104 -12.470 1.054 1.00 0.00 H new ATOM 0 HB3 ASN A 123 20.033 -11.912 -0.324 1.00 0.00 H new ATOM 0 HD21 ASN A 123 22.435 -11.426 0.262 1.00 0.00 H new ATOM 0 HD22 ASN A 123 23.172 -12.566 1.393 1.00 0.00 H new ATOM 1812 N ASN A 124 20.443 -8.189 0.590 1.00 0.00 N ATOM 1813 CA ASN A 124 21.101 -7.168 -0.216 1.00 0.00 C ATOM 1814 C ASN A 124 20.813 -7.388 -1.697 1.00 0.00 C ATOM 1815 O ASN A 124 21.568 -6.947 -2.564 1.00 0.00 O ATOM 1816 CB ASN A 124 22.610 -7.166 0.038 1.00 0.00 C ATOM 1817 CG ASN A 124 23.249 -8.511 -0.247 1.00 0.00 C ATOM 1818 OD1 ASN A 124 23.179 -9.417 0.722 1.00 0.00 O flip ATOM 1819 ND2 ASN A 124 23.799 -8.735 -1.326 1.00 0.00 N flip ATOM 0 H ASN A 124 19.929 -7.824 1.392 1.00 0.00 H new ATOM 0 HA ASN A 124 20.702 -6.196 0.075 1.00 0.00 H new ATOM 0 HB2 ASN A 124 23.079 -6.405 -0.586 1.00 0.00 H new ATOM 0 HB3 ASN A 124 22.800 -6.890 1.075 1.00 0.00 H new ATOM 0 HD21 ASN A 124 23.830 -8.010 -2.043 1.00 0.00 H new ATOM 0 HD22 ASN A 124 24.224 -9.645 -1.503 1.00 0.00 H new ATOM 1826 N HIS A 125 19.701 -8.061 -1.975 1.00 0.00 N ATOM 1827 CA HIS A 125 19.281 -8.334 -3.343 1.00 0.00 C ATOM 1828 C HIS A 125 17.874 -7.792 -3.574 1.00 0.00 C ATOM 1829 O HIS A 125 16.892 -8.529 -3.493 1.00 0.00 O ATOM 1830 CB HIS A 125 19.318 -9.837 -3.624 1.00 0.00 C ATOM 1831 CG HIS A 125 19.708 -10.175 -5.030 1.00 0.00 C ATOM 1832 ND1 HIS A 125 20.198 -11.409 -5.401 1.00 0.00 N ATOM 1833 CD2 HIS A 125 19.676 -9.429 -6.161 1.00 0.00 C ATOM 1834 CE1 HIS A 125 20.452 -11.408 -6.697 1.00 0.00 C ATOM 1835 NE2 HIS A 125 20.143 -10.220 -7.181 1.00 0.00 N ATOM 0 H HIS A 125 19.070 -8.430 -1.263 1.00 0.00 H new ATOM 0 HA HIS A 125 19.970 -7.837 -4.025 1.00 0.00 H new ATOM 0 HB2 HIS A 125 20.021 -10.309 -2.937 1.00 0.00 H new ATOM 0 HB3 HIS A 125 18.336 -10.261 -3.416 1.00 0.00 H new ATOM 0 HD2 HIS A 125 19.345 -8.404 -6.244 1.00 0.00 H new ATOM 0 HE1 HIS A 125 20.846 -12.238 -7.264 1.00 0.00 H new ATOM 0 HE2 HIS A 125 20.236 -9.935 -8.156 1.00 0.00 H new ATOM 1844 N ASN A 126 17.786 -6.493 -3.845 1.00 0.00 N ATOM 1845 CA ASN A 126 16.501 -5.839 -4.073 1.00 0.00 C ATOM 1846 C ASN A 126 15.524 -6.775 -4.779 1.00 0.00 C ATOM 1847 O ASN A 126 15.925 -7.619 -5.580 1.00 0.00 O ATOM 1848 CB ASN A 126 16.695 -4.568 -4.901 1.00 0.00 C ATOM 1849 CG ASN A 126 16.531 -3.308 -4.074 1.00 0.00 C ATOM 1850 OD1 ASN A 126 15.414 -2.905 -3.754 1.00 0.00 O ATOM 1851 ND2 ASN A 126 17.651 -2.682 -3.728 1.00 0.00 N ATOM 0 H ASN A 126 18.592 -5.871 -3.912 1.00 0.00 H new ATOM 0 HA ASN A 126 16.081 -5.575 -3.102 1.00 0.00 H new ATOM 0 HB2 ASN A 126 17.688 -4.578 -5.349 1.00 0.00 H new ATOM 0 HB3 ASN A 126 15.976 -4.558 -5.720 1.00 0.00 H new ATOM 0 HD22 ASN A 126 18.555 -3.056 -4.018 1.00 0.00 H new ATOM 1857 N TYR A 127 14.239 -6.616 -4.478 1.00 0.00 N ATOM 1858 CA TYR A 127 13.200 -7.442 -5.085 1.00 0.00 C ATOM 1859 C TYR A 127 11.891 -6.668 -5.192 1.00 0.00 C ATOM 1860 O TYR A 127 11.639 -5.748 -4.413 1.00 0.00 O ATOM 1861 CB TYR A 127 12.987 -8.718 -4.267 1.00 0.00 C ATOM 1862 CG TYR A 127 13.796 -9.897 -4.759 1.00 0.00 C ATOM 1863 CD1 TYR A 127 13.424 -10.591 -5.903 1.00 0.00 C ATOM 1864 CD2 TYR A 127 14.932 -10.315 -4.078 1.00 0.00 C ATOM 1865 CE1 TYR A 127 14.161 -11.670 -6.354 1.00 0.00 C ATOM 1866 CE2 TYR A 127 15.675 -11.392 -4.524 1.00 0.00 C ATOM 1867 CZ TYR A 127 15.285 -12.066 -5.662 1.00 0.00 C ATOM 1868 OH TYR A 127 16.021 -13.139 -6.109 1.00 0.00 O ATOM 0 H TYR A 127 13.891 -5.922 -3.816 1.00 0.00 H new ATOM 0 HA TYR A 127 13.526 -7.716 -6.088 1.00 0.00 H new ATOM 0 HB2 TYR A 127 13.246 -8.520 -3.227 1.00 0.00 H new ATOM 0 HB3 TYR A 127 11.929 -8.980 -4.288 1.00 0.00 H new ATOM 0 HD1 TYR A 127 12.545 -10.283 -6.449 1.00 0.00 H new ATOM 0 HD2 TYR A 127 15.240 -9.790 -3.186 1.00 0.00 H new ATOM 0 HE1 TYR A 127 13.857 -12.200 -7.245 1.00 0.00 H new ATOM 0 HE2 TYR A 127 16.557 -11.704 -3.984 1.00 0.00 H new ATOM 0 HH TYR A 127 16.782 -13.286 -5.509 1.00 0.00 H new ATOM 1878 N THR A 128 11.060 -7.040 -6.161 1.00 0.00 N ATOM 1879 CA THR A 128 9.780 -6.372 -6.363 1.00 0.00 C ATOM 1880 C THR A 128 8.692 -7.362 -6.763 1.00 0.00 C ATOM 1881 O THR A 128 7.814 -7.044 -7.566 1.00 0.00 O ATOM 1882 CB THR A 128 9.881 -5.276 -7.439 1.00 0.00 C ATOM 1883 OG1 THR A 128 11.200 -4.718 -7.449 1.00 0.00 O ATOM 1884 CG2 THR A 128 8.862 -4.175 -7.186 1.00 0.00 C ATOM 0 H THR A 128 11.250 -7.798 -6.816 1.00 0.00 H new ATOM 0 HA THR A 128 9.514 -5.914 -5.410 1.00 0.00 H new ATOM 0 HB THR A 128 9.672 -5.729 -8.408 1.00 0.00 H new ATOM 0 HG1 THR A 128 11.256 -4.023 -8.137 1.00 0.00 H new ATOM 0 HG21 THR A 128 8.952 -3.412 -7.959 1.00 0.00 H new ATOM 0 HG22 THR A 128 7.857 -4.597 -7.208 1.00 0.00 H new ATOM 0 HG23 THR A 128 9.046 -3.726 -6.210 1.00 0.00 H new ATOM 1892 N ASP A 129 8.750 -8.558 -6.192 1.00 0.00 N ATOM 1893 CA ASP A 129 7.763 -9.590 -6.482 1.00 0.00 C ATOM 1894 C ASP A 129 7.951 -10.791 -5.569 1.00 0.00 C ATOM 1895 O ASP A 129 9.073 -11.240 -5.336 1.00 0.00 O ATOM 1896 CB ASP A 129 7.849 -10.022 -7.947 1.00 0.00 C ATOM 1897 CG ASP A 129 9.280 -10.196 -8.415 1.00 0.00 C ATOM 1898 OD1 ASP A 129 9.826 -11.308 -8.257 1.00 0.00 O ATOM 1899 OD2 ASP A 129 9.856 -9.220 -8.942 1.00 0.00 O ATOM 0 H ASP A 129 9.470 -8.837 -5.526 1.00 0.00 H new ATOM 0 HA ASP A 129 6.774 -9.170 -6.300 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.310 -10.960 -8.079 1.00 0.00 H new ATOM 0 HB3 ASP A 129 7.353 -9.279 -8.572 1.00 0.00 H new ATOM 1904 N CYS A 130 6.840 -11.298 -5.050 1.00 0.00 N ATOM 1905 CA CYS A 130 6.868 -12.444 -4.152 1.00 0.00 C ATOM 1906 C CYS A 130 7.803 -13.525 -4.681 1.00 0.00 C ATOM 1907 O CYS A 130 7.382 -14.424 -5.409 1.00 0.00 O ATOM 1908 CB CYS A 130 5.461 -13.015 -3.971 1.00 0.00 C ATOM 1909 SG CYS A 130 4.160 -11.752 -3.797 1.00 0.00 S ATOM 0 H CYS A 130 5.906 -10.932 -5.237 1.00 0.00 H new ATOM 0 HA CYS A 130 7.241 -12.106 -3.185 1.00 0.00 H new ATOM 0 HB2 CYS A 130 5.225 -13.648 -4.826 1.00 0.00 H new ATOM 0 HB3 CYS A 130 5.451 -13.655 -3.088 1.00 0.00 H new ATOM 1914 N THR A 131 9.075 -13.431 -4.310 1.00 0.00 N ATOM 1915 CA THR A 131 10.070 -14.400 -4.747 1.00 0.00 C ATOM 1916 C THR A 131 9.918 -15.720 -3.999 1.00 0.00 C ATOM 1917 O THR A 131 9.859 -15.745 -2.770 1.00 0.00 O ATOM 1918 CB THR A 131 11.501 -13.869 -4.540 1.00 0.00 C ATOM 1919 OG1 THR A 131 12.455 -14.837 -4.994 1.00 0.00 O ATOM 1920 CG2 THR A 131 11.753 -13.551 -3.074 1.00 0.00 C ATOM 0 H THR A 131 9.440 -12.693 -3.708 1.00 0.00 H new ATOM 0 HA THR A 131 9.902 -14.566 -5.811 1.00 0.00 H new ATOM 0 HB THR A 131 11.611 -12.952 -5.119 1.00 0.00 H new ATOM 0 HG1 THR A 131 13.362 -14.490 -4.860 1.00 0.00 H new ATOM 0 HG21 THR A 131 12.770 -13.178 -2.952 1.00 0.00 H new ATOM 0 HG22 THR A 131 11.045 -12.792 -2.739 1.00 0.00 H new ATOM 0 HG23 THR A 131 11.625 -14.455 -2.478 1.00 0.00 H new ATOM 1928 N SER A 132 9.851 -16.815 -4.751 1.00 0.00 N ATOM 1929 CA SER A 132 9.703 -18.139 -4.159 1.00 0.00 C ATOM 1930 C SER A 132 11.059 -18.817 -3.997 1.00 0.00 C ATOM 1931 O SER A 132 11.142 -20.041 -3.883 1.00 0.00 O ATOM 1932 CB SER A 132 8.786 -19.007 -5.024 1.00 0.00 C ATOM 1933 OG SER A 132 7.599 -19.348 -4.328 1.00 0.00 O ATOM 0 H SER A 132 9.897 -16.811 -5.770 1.00 0.00 H new ATOM 0 HA SER A 132 9.256 -18.021 -3.172 1.00 0.00 H new ATOM 0 HB2 SER A 132 8.533 -18.473 -5.940 1.00 0.00 H new ATOM 0 HB3 SER A 132 9.312 -19.915 -5.319 1.00 0.00 H new ATOM 0 HG SER A 132 7.030 -19.901 -4.903 1.00 0.00 H new ATOM 1939 N GLU A 133 12.118 -18.015 -3.986 1.00 0.00 N ATOM 1940 CA GLU A 133 13.470 -18.541 -3.836 1.00 0.00 C ATOM 1941 C GLU A 133 13.526 -19.584 -2.725 1.00 0.00 C ATOM 1942 O GLU A 133 13.388 -19.259 -1.547 1.00 0.00 O ATOM 1943 CB GLU A 133 14.449 -17.404 -3.534 1.00 0.00 C ATOM 1944 CG GLU A 133 14.072 -16.586 -2.311 1.00 0.00 C ATOM 1945 CD GLU A 133 14.710 -17.111 -1.040 1.00 0.00 C ATOM 1946 OE1 GLU A 133 15.940 -17.323 -1.037 1.00 0.00 O ATOM 1947 OE2 GLU A 133 13.978 -17.310 -0.047 1.00 0.00 O ATOM 0 H GLU A 133 12.067 -17.001 -4.079 1.00 0.00 H new ATOM 0 HA GLU A 133 13.755 -19.019 -4.773 1.00 0.00 H new ATOM 0 HB2 GLU A 133 15.445 -17.822 -3.388 1.00 0.00 H new ATOM 0 HB3 GLU A 133 14.504 -16.744 -4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 133 14.374 -15.550 -2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 133 12.988 -16.588 -2.197 1.00 0.00 H new ATOM 1954 N GLY A 134 13.728 -20.840 -3.111 1.00 0.00 N ATOM 1955 CA GLY A 134 13.796 -21.912 -2.136 1.00 0.00 C ATOM 1956 C GLY A 134 12.425 -22.350 -1.661 1.00 0.00 C ATOM 1957 O GLY A 134 12.292 -22.957 -0.598 1.00 0.00 O ATOM 0 H GLY A 134 13.846 -21.134 -4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 134 14.315 -22.765 -2.573 1.00 0.00 H new ATOM 0 HA3 GLY A 134 14.386 -21.584 -1.280 1.00 0.00 H new ATOM 1961 N ARG A 135 11.402 -22.043 -2.452 1.00 0.00 N ATOM 1962 CA ARG A 135 10.033 -22.408 -2.110 1.00 0.00 C ATOM 1963 C ARG A 135 9.681 -23.783 -2.666 1.00 0.00 C ATOM 1964 O ARG A 135 9.487 -24.739 -1.916 1.00 0.00 O ATOM 1965 CB ARG A 135 9.055 -21.361 -2.647 1.00 0.00 C ATOM 1966 CG ARG A 135 9.018 -20.085 -1.822 1.00 0.00 C ATOM 1967 CD ARG A 135 9.077 -20.385 -0.333 1.00 0.00 C ATOM 1968 NE ARG A 135 8.076 -21.370 0.065 1.00 0.00 N ATOM 1969 CZ ARG A 135 8.237 -22.224 1.071 1.00 0.00 C ATOM 1970 NH1 ARG A 135 9.351 -22.211 1.790 1.00 0.00 N ATOM 1971 NH2 ARG A 135 7.276 -23.090 1.362 1.00 0.00 N ATOM 0 H ARG A 135 11.496 -21.542 -3.335 1.00 0.00 H new ATOM 0 HA ARG A 135 9.954 -22.445 -1.024 1.00 0.00 H new ATOM 0 HB2 ARG A 135 9.328 -21.113 -3.673 1.00 0.00 H new ATOM 0 HB3 ARG A 135 8.055 -21.793 -2.679 1.00 0.00 H new ATOM 0 HG2 ARG A 135 9.856 -19.446 -2.099 1.00 0.00 H new ATOM 0 HG3 ARG A 135 8.107 -19.531 -2.047 1.00 0.00 H new ATOM 0 HD2 ARG A 135 10.070 -20.753 -0.076 1.00 0.00 H new ATOM 0 HD3 ARG A 135 8.923 -19.464 0.229 1.00 0.00 H new ATOM 0 HE ARG A 135 7.202 -21.405 -0.459 1.00 0.00 H new ATOM 0 HH11 ARG A 135 10.091 -21.543 1.573 1.00 0.00 H new ATOM 0 HH12 ARG A 135 9.468 -22.869 2.561 1.00 0.00 H new ATOM 0 HH21 ARG A 135 6.416 -23.100 0.814 1.00 0.00 H new ATOM 0 HH22 ARG A 135 7.397 -23.746 2.133 1.00 0.00 H new ATOM 1985 N ARG A 136 9.602 -23.871 -3.988 1.00 0.00 N ATOM 1986 CA ARG A 136 9.276 -25.126 -4.656 1.00 0.00 C ATOM 1987 C ARG A 136 7.987 -25.724 -4.098 1.00 0.00 C ATOM 1988 O ARG A 136 7.726 -26.916 -4.260 1.00 0.00 O ATOM 1989 CB ARG A 136 10.425 -26.125 -4.501 1.00 0.00 C ATOM 1990 CG ARG A 136 10.487 -26.775 -3.129 1.00 0.00 C ATOM 1991 CD ARG A 136 11.237 -28.097 -3.172 1.00 0.00 C ATOM 1992 NE ARG A 136 12.528 -27.974 -3.842 1.00 0.00 N ATOM 1993 CZ ARG A 136 13.149 -28.987 -4.436 1.00 0.00 C ATOM 1994 NH1 ARG A 136 12.597 -30.193 -4.443 1.00 0.00 N ATOM 1995 NH2 ARG A 136 14.321 -28.794 -5.024 1.00 0.00 N ATOM 0 H ARG A 136 9.760 -23.086 -4.621 1.00 0.00 H new ATOM 0 HA ARG A 136 9.127 -24.915 -5.715 1.00 0.00 H new ATOM 0 HB2 ARG A 136 10.323 -26.903 -5.258 1.00 0.00 H new ATOM 0 HB3 ARG A 136 11.368 -25.614 -4.694 1.00 0.00 H new ATOM 0 HG2 ARG A 136 10.977 -26.100 -2.427 1.00 0.00 H new ATOM 0 HG3 ARG A 136 9.476 -26.941 -2.758 1.00 0.00 H new ATOM 0 HD2 ARG A 136 11.390 -28.460 -2.156 1.00 0.00 H new ATOM 0 HD3 ARG A 136 10.630 -28.841 -3.688 1.00 0.00 H new ATOM 0 HE ARG A 136 12.979 -27.059 -3.855 1.00 0.00 H new ATOM 0 HH11 ARG A 136 11.695 -30.343 -3.992 1.00 0.00 H new ATOM 0 HH12 ARG A 136 13.075 -30.970 -4.899 1.00 0.00 H new ATOM 0 HH21 ARG A 136 14.747 -27.867 -5.021 1.00 0.00 H new ATOM 0 HH22 ARG A 136 14.797 -29.572 -5.480 1.00 0.00 H new ATOM 2009 N ASP A 137 7.186 -24.891 -3.445 1.00 0.00 N ATOM 2010 CA ASP A 137 5.924 -25.341 -2.867 1.00 0.00 C ATOM 2011 C ASP A 137 4.841 -24.278 -3.029 1.00 0.00 C ATOM 2012 O ASP A 137 4.093 -23.993 -2.093 1.00 0.00 O ATOM 2013 CB ASP A 137 6.104 -25.682 -1.387 1.00 0.00 C ATOM 2014 CG ASP A 137 7.096 -24.768 -0.695 1.00 0.00 C ATOM 2015 OD1 ASP A 137 7.254 -23.613 -1.144 1.00 0.00 O ATOM 2016 OD2 ASP A 137 7.712 -25.206 0.301 1.00 0.00 O ATOM 0 H ASP A 137 7.387 -23.901 -3.302 1.00 0.00 H new ATOM 0 HA ASP A 137 5.611 -26.238 -3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 137 5.140 -25.614 -0.883 1.00 0.00 H new ATOM 0 HB3 ASP A 137 6.441 -26.715 -1.294 1.00 0.00 H new ATOM 2021 N ASN A 138 4.763 -23.697 -4.221 1.00 0.00 N ATOM 2022 CA ASN A 138 3.771 -22.667 -4.509 1.00 0.00 C ATOM 2023 C ASN A 138 3.529 -21.786 -3.287 1.00 0.00 C ATOM 2024 O ASN A 138 2.413 -21.715 -2.773 1.00 0.00 O ATOM 2025 CB ASN A 138 2.457 -23.307 -4.958 1.00 0.00 C ATOM 2026 CG ASN A 138 1.934 -22.706 -6.248 1.00 0.00 C ATOM 2027 OD1 ASN A 138 1.523 -21.547 -6.285 1.00 0.00 O ATOM 2028 ND2 ASN A 138 1.944 -23.496 -7.316 1.00 0.00 N ATOM 0 H ASN A 138 5.376 -23.922 -5.005 1.00 0.00 H new ATOM 0 HA ASN A 138 4.157 -22.042 -5.314 1.00 0.00 H new ATOM 0 HB2 ASN A 138 2.605 -24.378 -5.093 1.00 0.00 H new ATOM 0 HB3 ASN A 138 1.710 -23.185 -4.174 1.00 0.00 H new ATOM 0 HD21 ASN A 138 1.602 -23.147 -8.211 1.00 0.00 H new ATOM 0 HD22 ASN A 138 2.294 -24.451 -7.241 1.00 0.00 H new ATOM 2035 N MET A 139 4.581 -21.115 -2.829 1.00 0.00 N ATOM 2036 CA MET A 139 4.480 -20.238 -1.668 1.00 0.00 C ATOM 2037 C MET A 139 5.313 -18.975 -1.867 1.00 0.00 C ATOM 2038 O MET A 139 6.228 -18.695 -1.092 1.00 0.00 O ATOM 2039 CB MET A 139 4.938 -20.972 -0.406 1.00 0.00 C ATOM 2040 CG MET A 139 3.832 -21.166 0.619 1.00 0.00 C ATOM 2041 SD MET A 139 4.231 -22.429 1.841 1.00 0.00 S ATOM 2042 CE MET A 139 4.797 -21.414 3.204 1.00 0.00 C ATOM 0 H MET A 139 5.512 -21.162 -3.243 1.00 0.00 H new ATOM 0 HA MET A 139 3.436 -19.949 -1.552 1.00 0.00 H new ATOM 0 HB2 MET A 139 5.337 -21.947 -0.687 1.00 0.00 H new ATOM 0 HB3 MET A 139 5.754 -20.414 0.053 1.00 0.00 H new ATOM 0 HG2 MET A 139 3.644 -20.221 1.128 1.00 0.00 H new ATOM 0 HG3 MET A 139 2.911 -21.441 0.106 1.00 0.00 H new ATOM 0 HE1 MET A 139 4.500 -21.873 4.147 1.00 0.00 H new ATOM 0 HE2 MET A 139 5.883 -21.329 3.168 1.00 0.00 H new ATOM 0 HE3 MET A 139 4.353 -20.422 3.128 1.00 0.00 H new ATOM 2052 N LYS A 140 4.989 -18.217 -2.909 1.00 0.00 N ATOM 2053 CA LYS A 140 5.708 -16.983 -3.209 1.00 0.00 C ATOM 2054 C LYS A 140 5.731 -16.059 -1.995 1.00 0.00 C ATOM 2055 O LYS A 140 4.684 -15.642 -1.500 1.00 0.00 O ATOM 2056 CB LYS A 140 5.061 -16.268 -4.396 1.00 0.00 C ATOM 2057 CG LYS A 140 3.663 -15.747 -4.106 1.00 0.00 C ATOM 2058 CD LYS A 140 3.051 -15.080 -5.327 1.00 0.00 C ATOM 2059 CE LYS A 140 2.656 -16.101 -6.381 1.00 0.00 C ATOM 2060 NZ LYS A 140 2.364 -15.462 -7.694 1.00 0.00 N ATOM 0 H LYS A 140 4.234 -18.435 -3.560 1.00 0.00 H new ATOM 0 HA LYS A 140 6.735 -17.242 -3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 140 5.695 -15.434 -4.696 1.00 0.00 H new ATOM 0 HB3 LYS A 140 5.015 -16.954 -5.242 1.00 0.00 H new ATOM 0 HG2 LYS A 140 3.027 -16.571 -3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 140 3.703 -15.034 -3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 140 2.174 -14.506 -5.028 1.00 0.00 H new ATOM 0 HD3 LYS A 140 3.764 -14.374 -5.752 1.00 0.00 H new ATOM 0 HE2 LYS A 140 3.460 -16.827 -6.502 1.00 0.00 H new ATOM 0 HE3 LYS A 140 1.778 -16.651 -6.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 2.099 -16.193 -8.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 1.580 -14.788 -7.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 3.209 -14.958 -8.031 1.00 0.00 H new ATOM 2074 N TRP A 141 6.932 -15.744 -1.521 1.00 0.00 N ATOM 2075 CA TRP A 141 7.090 -14.870 -0.365 1.00 0.00 C ATOM 2076 C TRP A 141 7.782 -13.569 -0.755 1.00 0.00 C ATOM 2077 O TRP A 141 8.511 -13.513 -1.745 1.00 0.00 O ATOM 2078 CB TRP A 141 7.888 -15.579 0.731 1.00 0.00 C ATOM 2079 CG TRP A 141 9.338 -15.751 0.395 1.00 0.00 C ATOM 2080 CD1 TRP A 141 9.907 -16.803 -0.260 1.00 0.00 C ATOM 2081 CD2 TRP A 141 10.403 -14.844 0.703 1.00 0.00 C ATOM 2082 NE1 TRP A 141 11.262 -16.607 -0.381 1.00 0.00 N ATOM 2083 CE2 TRP A 141 11.590 -15.410 0.201 1.00 0.00 C ATOM 2084 CE3 TRP A 141 10.466 -13.607 1.351 1.00 0.00 C ATOM 2085 CZ2 TRP A 141 12.826 -14.781 0.330 1.00 0.00 C ATOM 2086 CZ3 TRP A 141 11.694 -12.984 1.478 1.00 0.00 C ATOM 2087 CH2 TRP A 141 12.860 -13.572 0.968 1.00 0.00 C ATOM 0 H TRP A 141 7.809 -16.081 -1.919 1.00 0.00 H new ATOM 0 HA TRP A 141 6.097 -14.630 0.016 1.00 0.00 H new ATOM 0 HB2 TRP A 141 7.802 -15.011 1.657 1.00 0.00 H new ATOM 0 HB3 TRP A 141 7.447 -16.558 0.915 1.00 0.00 H new ATOM 0 HD1 TRP A 141 9.371 -17.665 -0.630 1.00 0.00 H new ATOM 0 HE1 TRP A 141 11.916 -17.247 -0.830 1.00 0.00 H new ATOM 0 HE3 TRP A 141 9.572 -13.146 1.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 13.726 -15.232 -0.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 11.756 -12.029 1.978 1.00 0.00 H new ATOM 0 HH2 TRP A 141 13.804 -13.060 1.081 1.00 0.00 H new ATOM 2098 N CYS A 142 7.547 -12.523 0.032 1.00 0.00 N ATOM 2099 CA CYS A 142 8.147 -11.220 -0.227 1.00 0.00 C ATOM 2100 C CYS A 142 8.587 -10.559 1.075 1.00 0.00 C ATOM 2101 O CYS A 142 8.629 -11.200 2.125 1.00 0.00 O ATOM 2102 CB CYS A 142 7.153 -10.317 -0.962 1.00 0.00 C ATOM 2103 SG CYS A 142 5.589 -10.048 -0.067 1.00 0.00 S ATOM 0 H CYS A 142 6.945 -12.553 0.855 1.00 0.00 H new ATOM 0 HA CYS A 142 9.026 -11.367 -0.854 1.00 0.00 H new ATOM 0 HB2 CYS A 142 7.624 -9.352 -1.147 1.00 0.00 H new ATOM 0 HB3 CYS A 142 6.931 -10.755 -1.935 1.00 0.00 H new ATOM 2108 N GLY A 143 8.917 -9.275 0.999 1.00 0.00 N ATOM 2109 CA GLY A 143 9.351 -8.551 2.178 1.00 0.00 C ATOM 2110 C GLY A 143 8.284 -7.615 2.711 1.00 0.00 C ATOM 2111 O GLY A 143 7.770 -6.766 1.979 1.00 0.00 O ATOM 0 H GLY A 143 8.892 -8.723 0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 143 9.627 -9.263 2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 143 10.246 -7.977 1.939 1.00 0.00 H new ATOM 2115 N THR A 144 7.952 -7.765 3.988 1.00 0.00 N ATOM 2116 CA THR A 144 6.943 -6.923 4.615 1.00 0.00 C ATOM 2117 C THR A 144 7.492 -5.525 4.889 1.00 0.00 C ATOM 2118 O THR A 144 6.784 -4.659 5.403 1.00 0.00 O ATOM 2119 CB THR A 144 6.435 -7.534 5.933 1.00 0.00 C ATOM 2120 OG1 THR A 144 7.345 -7.233 6.998 1.00 0.00 O ATOM 2121 CG2 THR A 144 6.275 -9.041 5.807 1.00 0.00 C ATOM 0 H THR A 144 8.367 -8.461 4.608 1.00 0.00 H new ATOM 0 HA THR A 144 6.109 -6.854 3.916 1.00 0.00 H new ATOM 0 HB THR A 144 5.461 -7.099 6.155 1.00 0.00 H new ATOM 0 HG1 THR A 144 7.454 -6.262 7.071 1.00 0.00 H new ATOM 0 HG21 THR A 144 5.915 -9.449 6.752 1.00 0.00 H new ATOM 0 HG22 THR A 144 5.558 -9.266 5.018 1.00 0.00 H new ATOM 0 HG23 THR A 144 7.237 -9.490 5.561 1.00 0.00 H new ATOM 2129 N THR A 145 8.758 -5.312 4.539 1.00 0.00 N ATOM 2130 CA THR A 145 9.403 -4.022 4.740 1.00 0.00 C ATOM 2131 C THR A 145 10.238 -3.637 3.523 1.00 0.00 C ATOM 2132 O THR A 145 10.022 -4.150 2.425 1.00 0.00 O ATOM 2133 CB THR A 145 10.303 -4.034 5.990 1.00 0.00 C ATOM 2134 OG1 THR A 145 11.478 -4.813 5.741 1.00 0.00 O ATOM 2135 CG2 THR A 145 9.554 -4.602 7.188 1.00 0.00 C ATOM 0 H THR A 145 9.357 -6.020 4.114 1.00 0.00 H new ATOM 0 HA THR A 145 8.612 -3.286 4.883 1.00 0.00 H new ATOM 0 HB THR A 145 10.591 -3.007 6.214 1.00 0.00 H new ATOM 0 HG1 THR A 145 11.266 -5.765 5.839 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.208 -4.601 8.060 1.00 0.00 H new ATOM 0 HG22 THR A 145 8.676 -3.989 7.392 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.241 -5.623 6.970 1.00 0.00 H new ATOM 2143 N GLN A 146 11.190 -2.731 3.722 1.00 0.00 N ATOM 2144 CA GLN A 146 12.051 -2.280 2.634 1.00 0.00 C ATOM 2145 C GLN A 146 13.305 -3.145 2.525 1.00 0.00 C ATOM 2146 O GLN A 146 14.082 -3.008 1.581 1.00 0.00 O ATOM 2147 CB GLN A 146 12.441 -0.815 2.840 1.00 0.00 C ATOM 2148 CG GLN A 146 13.423 -0.602 3.981 1.00 0.00 C ATOM 2149 CD GLN A 146 13.139 0.666 4.763 1.00 0.00 C ATOM 2150 OE1 GLN A 146 12.274 1.458 4.392 1.00 0.00 O ATOM 2151 NE2 GLN A 146 13.871 0.864 5.854 1.00 0.00 N ATOM 0 H GLN A 146 11.385 -2.296 4.624 1.00 0.00 H new ATOM 0 HA GLN A 146 11.492 -2.374 1.703 1.00 0.00 H new ATOM 0 HB2 GLN A 146 12.879 -0.431 1.918 1.00 0.00 H new ATOM 0 HB3 GLN A 146 11.541 -0.232 3.033 1.00 0.00 H new ATOM 0 HG2 GLN A 146 13.383 -1.457 4.655 1.00 0.00 H new ATOM 0 HG3 GLN A 146 14.436 -0.559 3.581 1.00 0.00 H new ATOM 0 HE21 GLN A 146 14.578 0.180 6.125 1.00 0.00 H new ATOM 0 HE22 GLN A 146 13.726 1.700 6.421 1.00 0.00 H new ATOM 2160 N ASN A 147 13.494 -4.035 3.494 1.00 0.00 N ATOM 2161 CA ASN A 147 14.656 -4.921 3.503 1.00 0.00 C ATOM 2162 C ASN A 147 14.399 -6.145 4.378 1.00 0.00 C ATOM 2163 O ASN A 147 14.741 -6.160 5.559 1.00 0.00 O ATOM 2164 CB ASN A 147 15.892 -4.173 4.007 1.00 0.00 C ATOM 2165 CG ASN A 147 15.741 -2.667 3.914 1.00 0.00 C ATOM 2166 OD1 ASN A 147 15.375 -2.008 4.887 1.00 0.00 O ATOM 2167 ND2 ASN A 147 16.024 -2.115 2.741 1.00 0.00 N ATOM 0 H ASN A 147 12.860 -4.163 4.282 1.00 0.00 H new ATOM 0 HA ASN A 147 14.834 -5.255 2.481 1.00 0.00 H new ATOM 0 HB2 ASN A 147 16.083 -4.452 5.043 1.00 0.00 H new ATOM 0 HB3 ASN A 147 16.761 -4.484 3.428 1.00 0.00 H new ATOM 0 HD21 ASN A 147 15.942 -1.106 2.619 1.00 0.00 H new ATOM 0 HD22 ASN A 147 16.324 -2.700 1.961 1.00 0.00 H new ATOM 2174 N TYR A 148 13.791 -7.167 3.787 1.00 0.00 N ATOM 2175 CA TYR A 148 13.479 -8.398 4.506 1.00 0.00 C ATOM 2176 C TYR A 148 14.669 -8.870 5.341 1.00 0.00 C ATOM 2177 O TYR A 148 14.585 -8.946 6.567 1.00 0.00 O ATOM 2178 CB TYR A 148 13.060 -9.491 3.516 1.00 0.00 C ATOM 2179 CG TYR A 148 13.300 -10.899 4.013 1.00 0.00 C ATOM 2180 CD1 TYR A 148 12.885 -11.292 5.280 1.00 0.00 C ATOM 2181 CD2 TYR A 148 13.946 -11.835 3.216 1.00 0.00 C ATOM 2182 CE1 TYR A 148 13.105 -12.577 5.736 1.00 0.00 C ATOM 2183 CE2 TYR A 148 14.169 -13.122 3.664 1.00 0.00 C ATOM 2184 CZ TYR A 148 13.747 -13.489 4.925 1.00 0.00 C ATOM 2185 OH TYR A 148 13.969 -14.770 5.376 1.00 0.00 O ATOM 0 H TYR A 148 13.503 -7.168 2.808 1.00 0.00 H new ATOM 0 HA TYR A 148 12.653 -8.193 5.187 1.00 0.00 H new ATOM 0 HB2 TYR A 148 12.001 -9.373 3.288 1.00 0.00 H new ATOM 0 HB3 TYR A 148 13.604 -9.349 2.582 1.00 0.00 H new ATOM 0 HD1 TYR A 148 12.382 -10.581 5.918 1.00 0.00 H new ATOM 0 HD2 TYR A 148 14.280 -11.551 2.229 1.00 0.00 H new ATOM 0 HE1 TYR A 148 12.776 -12.866 6.723 1.00 0.00 H new ATOM 0 HE2 TYR A 148 14.671 -13.838 3.030 1.00 0.00 H new ATOM 0 HH TYR A 148 14.431 -15.286 4.682 1.00 0.00 H new ATOM 2195 N ASP A 149 15.769 -9.197 4.671 1.00 0.00 N ATOM 2196 CA ASP A 149 16.968 -9.674 5.355 1.00 0.00 C ATOM 2197 C ASP A 149 17.626 -8.563 6.168 1.00 0.00 C ATOM 2198 O ASP A 149 18.368 -8.831 7.113 1.00 0.00 O ATOM 2199 CB ASP A 149 17.967 -10.240 4.346 1.00 0.00 C ATOM 2200 CG ASP A 149 19.056 -11.061 5.008 1.00 0.00 C ATOM 2201 OD1 ASP A 149 18.849 -12.279 5.199 1.00 0.00 O ATOM 2202 OD2 ASP A 149 20.115 -10.487 5.337 1.00 0.00 O ATOM 0 H ASP A 149 15.856 -9.141 3.656 1.00 0.00 H new ATOM 0 HA ASP A 149 16.664 -10.464 6.042 1.00 0.00 H new ATOM 0 HB2 ASP A 149 17.437 -10.860 3.623 1.00 0.00 H new ATOM 0 HB3 ASP A 149 18.421 -9.420 3.790 1.00 0.00 H new ATOM 2207 N ALA A 150 17.355 -7.317 5.796 1.00 0.00 N ATOM 2208 CA ALA A 150 17.927 -6.174 6.497 1.00 0.00 C ATOM 2209 C ALA A 150 16.981 -5.662 7.578 1.00 0.00 C ATOM 2210 O ALA A 150 17.280 -4.685 8.266 1.00 0.00 O ATOM 2211 CB ALA A 150 18.263 -5.065 5.512 1.00 0.00 C ATOM 0 H ALA A 150 16.745 -7.073 5.016 1.00 0.00 H new ATOM 0 HA ALA A 150 18.846 -6.500 6.984 1.00 0.00 H new ATOM 0 HB1 ALA A 150 18.689 -4.218 6.049 1.00 0.00 H new ATOM 0 HB2 ALA A 150 18.985 -5.433 4.783 1.00 0.00 H new ATOM 0 HB3 ALA A 150 17.356 -4.749 4.997 1.00 0.00 H new ATOM 2217 N ASP A 151 15.838 -6.326 7.724 1.00 0.00 N ATOM 2218 CA ASP A 151 14.851 -5.937 8.722 1.00 0.00 C ATOM 2219 C ASP A 151 14.056 -7.148 9.201 1.00 0.00 C ATOM 2220 O ASP A 151 12.983 -7.006 9.787 1.00 0.00 O ATOM 2221 CB ASP A 151 13.902 -4.884 8.149 1.00 0.00 C ATOM 2222 CG ASP A 151 13.439 -3.892 9.197 1.00 0.00 C ATOM 2223 OD1 ASP A 151 12.532 -4.238 9.984 1.00 0.00 O ATOM 2224 OD2 ASP A 151 13.981 -2.767 9.232 1.00 0.00 O ATOM 0 H ASP A 151 15.574 -7.136 7.163 1.00 0.00 H new ATOM 0 HA ASP A 151 15.381 -5.512 9.574 1.00 0.00 H new ATOM 0 HB2 ASP A 151 14.402 -4.349 7.342 1.00 0.00 H new ATOM 0 HB3 ASP A 151 13.034 -5.379 7.713 1.00 0.00 H new ATOM 2229 N GLN A 152 14.591 -8.340 8.947 1.00 0.00 N ATOM 2230 CA GLN A 152 13.932 -9.577 9.351 1.00 0.00 C ATOM 2231 C GLN A 152 12.418 -9.450 9.234 1.00 0.00 C ATOM 2232 O GLN A 152 11.702 -9.486 10.236 1.00 0.00 O ATOM 2233 CB GLN A 152 14.316 -9.939 10.787 1.00 0.00 C ATOM 2234 CG GLN A 152 14.846 -11.355 10.938 1.00 0.00 C ATOM 2235 CD GLN A 152 16.215 -11.535 10.311 1.00 0.00 C ATOM 2236 OE1 GLN A 152 17.139 -10.769 10.580 1.00 0.00 O ATOM 2237 NE2 GLN A 152 16.350 -12.553 9.468 1.00 0.00 N ATOM 0 H GLN A 152 15.479 -8.474 8.463 1.00 0.00 H new ATOM 0 HA GLN A 152 14.264 -10.371 8.682 1.00 0.00 H new ATOM 0 HB2 GLN A 152 15.072 -9.238 11.139 1.00 0.00 H new ATOM 0 HB3 GLN A 152 13.444 -9.816 11.429 1.00 0.00 H new ATOM 0 HG2 GLN A 152 14.899 -11.608 11.997 1.00 0.00 H new ATOM 0 HG3 GLN A 152 14.145 -12.052 10.478 1.00 0.00 H new ATOM 0 HE21 GLN A 152 15.556 -13.163 9.274 1.00 0.00 H new ATOM 0 HE22 GLN A 152 17.248 -12.724 9.015 1.00 0.00 H new ATOM 2246 N LYS A 153 11.934 -9.299 8.005 1.00 0.00 N ATOM 2247 CA LYS A 153 10.503 -9.163 7.761 1.00 0.00 C ATOM 2248 C LYS A 153 10.104 -9.831 6.449 1.00 0.00 C ATOM 2249 O LYS A 153 10.365 -9.304 5.367 1.00 0.00 O ATOM 2250 CB LYS A 153 10.112 -7.684 7.731 1.00 0.00 C ATOM 2251 CG LYS A 153 9.453 -7.203 9.015 1.00 0.00 C ATOM 2252 CD LYS A 153 8.410 -8.191 9.512 1.00 0.00 C ATOM 2253 CE LYS A 153 7.338 -7.500 10.339 1.00 0.00 C ATOM 2254 NZ LYS A 153 6.704 -8.429 11.315 1.00 0.00 N ATOM 0 H LYS A 153 12.511 -9.268 7.164 1.00 0.00 H new ATOM 0 HA LYS A 153 9.973 -9.660 8.574 1.00 0.00 H new ATOM 0 HB2 LYS A 153 11.003 -7.085 7.543 1.00 0.00 H new ATOM 0 HB3 LYS A 153 9.431 -7.513 6.897 1.00 0.00 H new ATOM 0 HG2 LYS A 153 10.213 -7.058 9.783 1.00 0.00 H new ATOM 0 HG3 LYS A 153 8.985 -6.234 8.843 1.00 0.00 H new ATOM 0 HD2 LYS A 153 7.948 -8.693 8.662 1.00 0.00 H new ATOM 0 HD3 LYS A 153 8.894 -8.961 10.112 1.00 0.00 H new ATOM 0 HE2 LYS A 153 7.778 -6.658 10.873 1.00 0.00 H new ATOM 0 HE3 LYS A 153 6.574 -7.093 9.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 5.807 -8.022 11.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 6.519 -9.343 10.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 7.342 -8.571 12.124 1.00 0.00 H new ATOM 2268 N PHE A 154 9.465 -10.992 6.553 1.00 0.00 N ATOM 2269 CA PHE A 154 9.024 -11.732 5.375 1.00 0.00 C ATOM 2270 C PHE A 154 7.519 -11.967 5.420 1.00 0.00 C ATOM 2271 O PHE A 154 6.871 -11.708 6.435 1.00 0.00 O ATOM 2272 CB PHE A 154 9.760 -13.071 5.282 1.00 0.00 C ATOM 2273 CG PHE A 154 9.197 -14.130 6.185 1.00 0.00 C ATOM 2274 CD1 PHE A 154 9.653 -14.265 7.486 1.00 0.00 C ATOM 2275 CD2 PHE A 154 8.211 -14.993 5.731 1.00 0.00 C ATOM 2276 CE1 PHE A 154 9.137 -15.239 8.319 1.00 0.00 C ATOM 2277 CE2 PHE A 154 7.692 -15.970 6.559 1.00 0.00 C ATOM 2278 CZ PHE A 154 8.155 -16.093 7.855 1.00 0.00 C ATOM 0 H PHE A 154 9.241 -11.441 7.441 1.00 0.00 H new ATOM 0 HA PHE A 154 9.257 -11.138 4.491 1.00 0.00 H new ATOM 0 HB2 PHE A 154 9.723 -13.426 4.252 1.00 0.00 H new ATOM 0 HB3 PHE A 154 10.811 -12.917 5.528 1.00 0.00 H new ATOM 0 HD1 PHE A 154 10.421 -13.601 7.854 1.00 0.00 H new ATOM 0 HD2 PHE A 154 7.845 -14.900 4.719 1.00 0.00 H new ATOM 0 HE1 PHE A 154 9.501 -15.333 9.332 1.00 0.00 H new ATOM 0 HE2 PHE A 154 6.925 -16.637 6.193 1.00 0.00 H new ATOM 0 HZ PHE A 154 7.750 -16.855 8.504 1.00 0.00 H new ATOM 2288 N GLY A 155 6.963 -12.458 4.317 1.00 0.00 N ATOM 2289 CA GLY A 155 5.535 -12.713 4.261 1.00 0.00 C ATOM 2290 C GLY A 155 5.109 -13.394 2.975 1.00 0.00 C ATOM 2291 O GLY A 155 5.626 -13.088 1.901 1.00 0.00 O ATOM 0 H GLY A 155 7.474 -12.683 3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 155 5.248 -13.336 5.109 1.00 0.00 H new ATOM 0 HA3 GLY A 155 4.998 -11.770 4.362 1.00 0.00 H new ATOM 2295 N PHE A 156 4.157 -14.315 3.086 1.00 0.00 N ATOM 2296 CA PHE A 156 3.651 -15.036 1.925 1.00 0.00 C ATOM 2297 C PHE A 156 2.456 -14.305 1.322 1.00 0.00 C ATOM 2298 O PHE A 156 1.429 -14.131 1.977 1.00 0.00 O ATOM 2299 CB PHE A 156 3.250 -16.461 2.316 1.00 0.00 C ATOM 2300 CG PHE A 156 4.398 -17.291 2.816 1.00 0.00 C ATOM 2301 CD1 PHE A 156 5.190 -18.007 1.932 1.00 0.00 C ATOM 2302 CD2 PHE A 156 4.685 -17.355 4.170 1.00 0.00 C ATOM 2303 CE1 PHE A 156 6.246 -18.771 2.389 1.00 0.00 C ATOM 2304 CE2 PHE A 156 5.741 -18.118 4.633 1.00 0.00 C ATOM 2305 CZ PHE A 156 6.522 -18.827 3.742 1.00 0.00 C ATOM 0 H PHE A 156 3.721 -14.579 3.969 1.00 0.00 H new ATOM 0 HA PHE A 156 4.444 -15.085 1.179 1.00 0.00 H new ATOM 0 HB2 PHE A 156 2.482 -16.415 3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 156 2.804 -16.954 1.452 1.00 0.00 H new ATOM 0 HD1 PHE A 156 4.979 -17.967 0.874 1.00 0.00 H new ATOM 0 HD2 PHE A 156 4.077 -16.803 4.871 1.00 0.00 H new ATOM 0 HE1 PHE A 156 6.855 -19.324 1.690 1.00 0.00 H new ATOM 0 HE2 PHE A 156 5.955 -18.159 5.691 1.00 0.00 H new ATOM 0 HZ PHE A 156 7.347 -19.424 4.102 1.00 0.00 H new ATOM 2315 N CYS A 157 2.602 -13.871 0.075 1.00 0.00 N ATOM 2316 CA CYS A 157 1.534 -13.149 -0.608 1.00 0.00 C ATOM 2317 C CYS A 157 0.610 -14.107 -1.352 1.00 0.00 C ATOM 2318 O CYS A 157 0.976 -15.247 -1.636 1.00 0.00 O ATOM 2319 CB CYS A 157 2.126 -12.130 -1.584 1.00 0.00 C ATOM 2320 SG CYS A 157 2.528 -12.813 -3.224 1.00 0.00 S ATOM 0 H CYS A 157 3.446 -14.006 -0.482 1.00 0.00 H new ATOM 0 HA CYS A 157 0.946 -12.625 0.146 1.00 0.00 H new ATOM 0 HB2 CYS A 157 1.419 -11.309 -1.708 1.00 0.00 H new ATOM 0 HB3 CYS A 157 3.031 -11.708 -1.147 1.00 0.00 H new ATOM 2325 N PRO A 158 -0.607 -13.646 -1.676 1.00 0.00 N ATOM 2326 CA PRO A 158 -1.598 -14.455 -2.389 1.00 0.00 C ATOM 2327 C PRO A 158 -1.234 -14.654 -3.856 1.00 0.00 C ATOM 2328 O PRO A 158 -0.392 -13.941 -4.400 1.00 0.00 O ATOM 2329 CB PRO A 158 -2.881 -13.633 -2.263 1.00 0.00 C ATOM 2330 CG PRO A 158 -2.415 -12.226 -2.115 1.00 0.00 C ATOM 2331 CD PRO A 158 -1.111 -12.294 -1.367 1.00 0.00 C ATOM 0 HA PRO A 158 -1.678 -15.461 -1.977 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -3.514 -13.750 -3.142 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -3.470 -13.948 -1.402 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -2.281 -11.755 -3.089 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -3.146 -11.629 -1.570 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -0.417 -11.521 -1.699 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -1.255 -12.154 -0.296 1.00 0.00 H new ATOM 2339 N MET A 159 -1.877 -15.629 -4.493 1.00 0.00 N ATOM 2340 CA MET A 159 -1.621 -15.922 -5.899 1.00 0.00 C ATOM 2341 C MET A 159 -2.179 -14.820 -6.794 1.00 0.00 C ATOM 2342 O MET A 159 -2.550 -13.747 -6.318 1.00 0.00 O ATOM 2343 CB MET A 159 -2.241 -17.267 -6.281 1.00 0.00 C ATOM 2344 CG MET A 159 -3.752 -17.308 -6.123 1.00 0.00 C ATOM 2345 SD MET A 159 -4.587 -17.960 -7.582 1.00 0.00 S ATOM 2346 CE MET A 159 -6.239 -18.218 -6.940 1.00 0.00 C ATOM 0 H MET A 159 -2.578 -16.229 -4.058 1.00 0.00 H new ATOM 0 HA MET A 159 -0.542 -15.972 -6.044 1.00 0.00 H new ATOM 0 HB2 MET A 159 -1.986 -17.494 -7.316 1.00 0.00 H new ATOM 0 HB3 MET A 159 -1.798 -18.050 -5.665 1.00 0.00 H new ATOM 0 HG2 MET A 159 -4.006 -17.922 -5.259 1.00 0.00 H new ATOM 0 HG3 MET A 159 -4.119 -16.302 -5.918 1.00 0.00 H new ATOM 0 HE1 MET A 159 -6.877 -18.620 -7.727 1.00 0.00 H new ATOM 0 HE2 MET A 159 -6.201 -18.922 -6.109 1.00 0.00 H new ATOM 0 HE3 MET A 159 -6.647 -17.269 -6.593 1.00 0.00 H new ATOM 2356 N ALA A 160 -2.233 -15.091 -8.093 1.00 0.00 N ATOM 2357 CA ALA A 160 -2.745 -14.123 -9.056 1.00 0.00 C ATOM 2358 C ALA A 160 -4.261 -13.997 -8.954 1.00 0.00 C ATOM 2359 O ALA A 160 -4.965 -14.895 -9.461 1.00 0.00 O ATOM 2360 CB ALA A 160 -2.340 -14.518 -10.468 1.00 0.00 C ATOM 2361 OXT ALA A 160 -4.733 -12.999 -8.367 1.00 0.00 O ATOM 0 H ALA A 160 -1.928 -15.973 -8.504 1.00 0.00 H new ATOM 0 HA ALA A 160 -2.309 -13.151 -8.824 1.00 0.00 H new ATOM 0 HB1 ALA A 160 -2.729 -13.786 -11.176 1.00 0.00 H new ATOM 0 HB2 ALA A 160 -1.253 -14.549 -10.539 1.00 0.00 H new ATOM 0 HB3 ALA A 160 -2.748 -15.502 -10.702 1.00 0.00 H new TER 2367 ALA A 160 HETATM 2368 C1 NAG A 161 17.595 -1.464 -2.934 1.00 0.00 C HETATM 2369 C2 NAG A 161 19.002 -0.937 -2.713 1.00 0.00 C HETATM 2370 C3 NAG A 161 18.925 0.374 -1.939 1.00 0.00 C HETATM 2371 C4 NAG A 161 18.100 1.414 -2.732 1.00 0.00 C HETATM 2372 C5 NAG A 161 16.666 0.805 -2.948 1.00 0.00 C HETATM 2373 C6 NAG A 161 15.765 1.729 -3.782 1.00 0.00 C HETATM 2374 C7 NAG A 161 20.670 -2.711 -2.611 1.00 0.00 C HETATM 2375 C8 NAG A 161 21.460 -3.662 -1.717 1.00 0.00 C HETATM 2376 N2 NAG A 161 19.823 -1.898 -1.988 1.00 0.00 N HETATM 2377 O3 NAG A 161 20.235 0.876 -1.727 1.00 0.00 O HETATM 2378 O4 NAG A 161 18.070 2.612 -1.964 1.00 0.00 O HETATM 2379 O5 NAG A 161 16.809 -0.475 -3.627 1.00 0.00 O HETATM 2380 O6 NAG A 161 14.449 1.175 -3.819 1.00 0.00 O HETATM 2381 O7 NAG A 161 20.819 -2.708 -3.833 1.00 0.00 O HETATM 0 HO6 NAG A 161 13.864 1.757 -4.348 1.00 0.00 H new HETATM 0 HO4 NAG A 161 17.695 3.338 -2.505 1.00 0.00 H new HETATM 0 HO3 NAG A 161 20.210 1.855 -1.705 1.00 0.00 H new HETATM 0 HN2 NAG A 161 19.745 -1.948 -0.972 1.00 0.00 H new HETATM 0 H83 NAG A 161 22.057 -3.085 -1.010 1.00 0.00 H new HETATM 0 H82 NAG A 161 20.770 -4.304 -1.170 1.00 0.00 H new HETATM 0 H81 NAG A 161 22.118 -4.277 -2.331 1.00 0.00 H new HETATM 0 H62 NAG A 161 15.742 2.728 -3.347 1.00 0.00 H new HETATM 0 H61 NAG A 161 16.161 1.831 -4.793 1.00 0.00 H new HETATM 0 H5 NAG A 161 16.193 0.683 -1.974 1.00 0.00 H new HETATM 0 H4 NAG A 161 18.526 1.647 -3.708 1.00 0.00 H new HETATM 0 H3 NAG A 161 18.440 0.191 -0.980 1.00 0.00 H new HETATM 0 H2 NAG A 161 19.469 -0.772 -3.684 1.00 0.00 H new