USER MOD reduce.3.24.130724 H: found=0, std=0, add=1130, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1126 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 THR OG1 : rot 66:sc= 1.33 USER MOD Set 1.2: A 86 HIS : no HE2:sc= 0.724 K(o=2.1,f=-4!) USER MOD Set 2.1: A 9 CYS SG : rot -75:sc= 0.213 USER MOD Set 2.2: A 12 ASN : amide:sc= -0.703 K(o=2.2,f=-2.5!) USER MOD Set 2.3: A 16 SER OG : rot -28:sc= 1.36 USER MOD Set 2.4: A 34 SER OG : rot -105:sc= 1.6 USER MOD Set 2.5: A 63 HIS : no HE2:sc= -0.242 K(o=2.2,f=-1.7) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= -0.0431 K(o=-0.043,f=-1.7) USER MOD Single : A 14 CYS SG : rot -117:sc= -0.123 USER MOD Single : A 18 THR OG1 : rot 106:sc= 1.24 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0.298 USER MOD Single : A 27 HIS : no HE2:sc= 1.01 K(o=1,f=-4.3!) USER MOD Single : A 31 LYS NZ :NH3+ 147:sc= 1.16 (180deg=0.855) USER MOD Single : A 43 LYS NZ :NH3+ 148:sc= 0.688 (180deg=0.196) USER MOD Single : A 48 THR OG1 : rot 86:sc= 1.23 USER MOD Single : A 51 SER OG : rot 73:sc= 1.24 USER MOD Single : A 56 HIS : no HD1:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 57 GLN : amide:sc= 0.185 K(o=0.18,f=-0.44) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 62:sc= 0.0258 USER MOD Single : A 67 GLN : amide:sc= 1.01 K(o=1,f=-0.24) USER MOD Single : A 69 SER OG : rot 23:sc= 0.849 USER MOD Single : A 73 CYS SG : rot 60:sc= 0.502 USER MOD Single : A 75 ASN : amide:sc= 1.3 K(o=1.3,f=-0.027) USER MOD Single : A 76 TYR OH : rot -167:sc= 1.26 USER MOD Single : A 82 MET CE :methyl 165:sc= -0.17 (180deg=-0.946) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot 77:sc= -0.424 USER MOD Single : A 93 MET CE :methyl 165:sc= -0.0599 (180deg=-0.497) USER MOD Single : A 97 MET CE :methyl -115:sc= 0 (180deg=-0.337) USER MOD Single : A 100 LYS NZ :NH3+ 174:sc= 1.12 (180deg=1.09) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HE2:sc= 1.08 K(o=1.1,f=-3.2!) USER MOD Single : A 109 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.64) USER MOD Single : A 111 CYS SG : rot -42:sc= -0.266 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -157:sc= 2.33 (180deg=1.43) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 79:sc= 0.819 USER MOD Single : A 134 SER OG : rot 89:sc= 1.95 USER MOD Single : A 137 GLN : amide:sc= 0.0246 X(o=0.025,f=-0.42) USER MOD Single : A 140 GLN : amide:sc= 0.651 K(o=0.65,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N PHE A 2 -3.945 8.350 -11.984 1.00 0.00 N ATOM 19 CA PHE A 2 -4.108 7.223 -11.057 1.00 0.00 C ATOM 20 C PHE A 2 -5.373 7.363 -10.177 1.00 0.00 C ATOM 21 O PHE A 2 -5.284 7.422 -8.952 1.00 0.00 O ATOM 22 CB PHE A 2 -2.839 7.086 -10.190 1.00 0.00 C ATOM 23 CG PHE A 2 -1.496 7.023 -10.903 1.00 0.00 C ATOM 24 CD1 PHE A 2 -1.307 6.200 -12.031 1.00 0.00 C ATOM 25 CD2 PHE A 2 -0.404 7.756 -10.396 1.00 0.00 C ATOM 26 CE1 PHE A 2 -0.040 6.096 -12.632 1.00 0.00 C ATOM 27 CE2 PHE A 2 0.861 7.657 -10.999 1.00 0.00 C ATOM 28 CZ PHE A 2 1.047 6.820 -12.112 1.00 0.00 C ATOM 0 HA PHE A 2 -4.245 6.316 -11.646 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -2.812 7.929 -9.500 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -2.941 6.184 -9.587 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -2.140 5.646 -12.437 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -0.541 8.398 -9.538 1.00 0.00 H new ATOM 0 HE1 PHE A 2 0.098 5.460 -13.494 1.00 0.00 H new ATOM 0 HE2 PHE A 2 1.692 8.225 -10.607 1.00 0.00 H new ATOM 0 HZ PHE A 2 2.023 6.733 -12.567 1.00 0.00 H new ATOM 38 N ASN A 3 -6.562 7.464 -10.782 1.00 0.00 N ATOM 39 CA ASN A 3 -7.820 7.697 -10.067 1.00 0.00 C ATOM 40 C ASN A 3 -8.144 6.572 -9.076 1.00 0.00 C ATOM 41 O ASN A 3 -8.724 6.827 -8.018 1.00 0.00 O ATOM 42 CB ASN A 3 -8.972 7.861 -11.066 1.00 0.00 C ATOM 43 CG ASN A 3 -10.299 8.079 -10.341 1.00 0.00 C ATOM 44 OD1 ASN A 3 -11.109 7.166 -10.217 1.00 0.00 O ATOM 45 ND2 ASN A 3 -10.548 9.283 -9.848 1.00 0.00 N ATOM 0 H ASN A 3 -6.678 7.385 -11.792 1.00 0.00 H new ATOM 0 HA ASN A 3 -7.698 8.614 -9.491 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.770 8.706 -11.724 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.040 6.975 -11.697 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.424 9.462 -9.357 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.864 10.031 -9.960 1.00 0.00 H new ATOM 52 N ASN A 4 -7.767 5.339 -9.435 1.00 0.00 N ATOM 53 CA ASN A 4 -8.146 4.137 -8.702 1.00 0.00 C ATOM 54 C ASN A 4 -6.888 3.308 -8.459 1.00 0.00 C ATOM 55 O ASN A 4 -6.240 2.903 -9.426 1.00 0.00 O ATOM 56 CB ASN A 4 -9.194 3.375 -9.531 1.00 0.00 C ATOM 57 CG ASN A 4 -9.714 2.149 -8.799 1.00 0.00 C ATOM 58 OD1 ASN A 4 -9.750 2.121 -7.576 1.00 0.00 O ATOM 59 ND2 ASN A 4 -10.122 1.113 -9.512 1.00 0.00 N ATOM 0 H ASN A 4 -7.185 5.152 -10.251 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.588 4.372 -7.734 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -10.026 4.039 -9.763 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.754 3.071 -10.481 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.472 0.277 -9.043 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.087 1.149 -10.531 1.00 0.00 H new ATOM 66 N ILE A 5 -6.535 3.076 -7.190 1.00 0.00 N ATOM 67 CA ILE A 5 -5.243 2.504 -6.798 1.00 0.00 C ATOM 68 C ILE A 5 -5.473 1.275 -5.907 1.00 0.00 C ATOM 69 O ILE A 5 -6.445 1.228 -5.149 1.00 0.00 O ATOM 70 CB ILE A 5 -4.427 3.608 -6.066 1.00 0.00 C ATOM 71 CG1 ILE A 5 -4.061 4.765 -7.026 1.00 0.00 C ATOM 72 CG2 ILE A 5 -3.140 3.072 -5.402 1.00 0.00 C ATOM 73 CD1 ILE A 5 -3.689 6.065 -6.306 1.00 0.00 C ATOM 0 H ILE A 5 -7.145 3.282 -6.399 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.680 2.171 -7.670 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.080 3.978 -5.275 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.225 4.455 -7.653 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.904 4.956 -7.690 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.617 3.891 -4.909 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.400 2.312 -4.665 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.493 2.634 -6.163 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.444 6.831 -7.042 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.531 6.399 -5.700 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.826 5.891 -5.663 1.00 0.00 H new ATOM 85 N LEU A 6 -4.546 0.311 -5.968 1.00 0.00 N ATOM 86 CA LEU A 6 -4.630 -0.936 -5.206 1.00 0.00 C ATOM 87 C LEU A 6 -3.265 -1.237 -4.594 1.00 0.00 C ATOM 88 O LEU A 6 -2.293 -1.463 -5.317 1.00 0.00 O ATOM 89 CB LEU A 6 -5.130 -2.033 -6.159 1.00 0.00 C ATOM 90 CG LEU A 6 -5.532 -3.407 -5.595 1.00 0.00 C ATOM 91 CD1 LEU A 6 -4.337 -4.295 -5.283 1.00 0.00 C ATOM 92 CD2 LEU A 6 -6.440 -3.317 -4.367 1.00 0.00 C ATOM 0 H LEU A 6 -3.712 0.377 -6.552 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.333 -0.870 -4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.994 -1.634 -6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.349 -2.201 -6.901 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.102 -3.870 -6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.686 -5.249 -4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.764 -4.467 -6.194 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.704 -3.806 -4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.685 -4.321 -4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.926 -2.775 -3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.357 -2.790 -4.631 1.00 0.00 H new ATOM 104 N VAL A 7 -3.177 -1.181 -3.266 1.00 0.00 N ATOM 105 CA VAL A 7 -1.937 -1.432 -2.538 1.00 0.00 C ATOM 106 C VAL A 7 -1.777 -2.947 -2.348 1.00 0.00 C ATOM 107 O VAL A 7 -2.762 -3.624 -2.049 1.00 0.00 O ATOM 108 CB VAL A 7 -1.957 -0.686 -1.187 1.00 0.00 C ATOM 109 CG1 VAL A 7 -0.597 -0.811 -0.488 1.00 0.00 C ATOM 110 CG2 VAL A 7 -2.273 0.814 -1.346 1.00 0.00 C ATOM 0 H VAL A 7 -3.969 -0.959 -2.663 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.082 -1.058 -3.102 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.745 -1.150 -0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.627 -0.280 0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.375 -1.863 -0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.178 -0.379 -1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.275 1.291 -0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.515 1.281 -1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.253 0.932 -1.809 1.00 0.00 H new ATOM 120 N VAL A 8 -0.555 -3.469 -2.478 1.00 0.00 N ATOM 121 CA VAL A 8 -0.281 -4.903 -2.462 1.00 0.00 C ATOM 122 C VAL A 8 0.929 -5.158 -1.564 1.00 0.00 C ATOM 123 O VAL A 8 2.005 -4.603 -1.807 1.00 0.00 O ATOM 124 CB VAL A 8 -0.015 -5.407 -3.896 1.00 0.00 C ATOM 125 CG1 VAL A 8 0.171 -6.931 -3.917 1.00 0.00 C ATOM 126 CG2 VAL A 8 -1.163 -5.075 -4.857 1.00 0.00 C ATOM 0 H VAL A 8 0.281 -2.898 -2.599 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.142 -5.445 -2.071 1.00 0.00 H new ATOM 0 HB VAL A 8 0.891 -4.898 -4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.357 -7.261 -4.939 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.019 -7.203 -3.288 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.731 -7.413 -3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.925 -5.452 -5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.081 -5.543 -4.502 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.300 -3.994 -4.901 1.00 0.00 H new ATOM 136 N CYS A 9 0.759 -6.027 -0.559 1.00 0.00 N ATOM 137 CA CYS A 9 1.810 -6.347 0.413 1.00 0.00 C ATOM 138 C CYS A 9 1.871 -7.854 0.693 1.00 0.00 C ATOM 139 O CYS A 9 1.067 -8.621 0.164 1.00 0.00 O ATOM 140 CB CYS A 9 1.548 -5.572 1.714 1.00 0.00 C ATOM 141 SG CYS A 9 1.393 -3.797 1.374 1.00 0.00 S ATOM 0 H CYS A 9 -0.114 -6.529 -0.398 1.00 0.00 H new ATOM 0 HA CYS A 9 2.773 -6.052 -0.004 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.637 -5.939 2.186 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.363 -5.744 2.417 1.00 0.00 H new ATOM 0 HG CYS A 9 2.570 -3.295 1.144 1.00 0.00 H new ATOM 147 N VAL A 10 2.821 -8.288 1.524 1.00 0.00 N ATOM 148 CA VAL A 10 2.832 -9.659 2.038 1.00 0.00 C ATOM 149 C VAL A 10 2.145 -9.621 3.413 1.00 0.00 C ATOM 150 O VAL A 10 2.199 -8.596 4.096 1.00 0.00 O ATOM 151 CB VAL A 10 4.273 -10.215 2.083 1.00 0.00 C ATOM 152 CG1 VAL A 10 4.765 -10.491 0.653 1.00 0.00 C ATOM 153 CG2 VAL A 10 5.282 -9.296 2.793 1.00 0.00 C ATOM 0 H VAL A 10 3.593 -7.709 1.855 1.00 0.00 H new ATOM 0 HA VAL A 10 2.288 -10.343 1.387 1.00 0.00 H new ATOM 0 HB VAL A 10 4.222 -11.132 2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.781 -10.883 0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.110 -11.221 0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.753 -9.565 0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.268 -9.760 2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.326 -8.337 2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.968 -9.139 3.825 1.00 0.00 H new ATOM 163 N GLY A 11 1.421 -10.682 3.788 1.00 0.00 N ATOM 164 CA GLY A 11 0.580 -10.695 4.987 1.00 0.00 C ATOM 165 C GLY A 11 -0.722 -9.910 4.793 1.00 0.00 C ATOM 166 O GLY A 11 -1.774 -10.357 5.248 1.00 0.00 O ATOM 0 H GLY A 11 1.403 -11.558 3.266 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.344 -11.726 5.251 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.136 -10.271 5.823 1.00 0.00 H new ATOM 170 N ASN A 12 -0.655 -8.786 4.062 1.00 0.00 N ATOM 171 CA ASN A 12 -1.783 -7.934 3.657 1.00 0.00 C ATOM 172 C ASN A 12 -2.397 -7.146 4.814 1.00 0.00 C ATOM 173 O ASN A 12 -2.541 -5.933 4.686 1.00 0.00 O ATOM 174 CB ASN A 12 -2.851 -8.729 2.878 1.00 0.00 C ATOM 175 CG ASN A 12 -3.970 -7.912 2.232 1.00 0.00 C ATOM 176 OD1 ASN A 12 -4.791 -8.473 1.518 1.00 0.00 O ATOM 177 ND2 ASN A 12 -4.060 -6.609 2.417 1.00 0.00 N ATOM 0 H ASN A 12 0.237 -8.428 3.719 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.363 -7.190 2.980 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -2.350 -9.299 2.096 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.304 -9.450 3.558 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.808 -6.080 1.967 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.382 -6.130 3.010 1.00 0.00 H new ATOM 184 N ILE A 13 -2.733 -7.791 5.926 1.00 0.00 N ATOM 185 CA ILE A 13 -3.519 -7.215 7.019 1.00 0.00 C ATOM 186 C ILE A 13 -2.845 -6.044 7.763 1.00 0.00 C ATOM 187 O ILE A 13 -3.470 -5.475 8.658 1.00 0.00 O ATOM 188 CB ILE A 13 -3.952 -8.344 7.987 1.00 0.00 C ATOM 189 CG1 ILE A 13 -2.750 -9.079 8.626 1.00 0.00 C ATOM 190 CG2 ILE A 13 -4.882 -9.332 7.260 1.00 0.00 C ATOM 191 CD1 ILE A 13 -3.158 -10.037 9.752 1.00 0.00 C ATOM 0 H ILE A 13 -2.459 -8.758 6.100 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.396 -6.756 6.563 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.495 -7.878 8.809 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.223 -9.639 7.854 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.050 -8.343 9.020 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.182 -10.123 7.948 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.767 -8.804 6.905 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.356 -9.769 6.411 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.270 -10.521 10.158 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.660 -9.478 10.542 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.835 -10.795 9.358 1.00 0.00 H new ATOM 203 N CYS A 14 -1.608 -5.668 7.417 1.00 0.00 N ATOM 204 CA CYS A 14 -0.833 -4.667 8.151 1.00 0.00 C ATOM 205 C CYS A 14 -0.544 -3.461 7.256 1.00 0.00 C ATOM 206 O CYS A 14 -1.181 -2.416 7.404 1.00 0.00 O ATOM 207 CB CYS A 14 0.468 -5.281 8.706 1.00 0.00 C ATOM 208 SG CYS A 14 0.157 -6.725 9.762 1.00 0.00 S ATOM 0 H CYS A 14 -1.115 -6.055 6.612 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.422 -4.323 9.002 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.111 -5.573 7.876 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.008 -4.526 9.277 1.00 0.00 H new ATOM 0 HG CYS A 14 0.558 -6.472 10.973 1.00 0.00 H new ATOM 214 N ARG A 15 0.395 -3.594 6.308 1.00 0.00 N ATOM 215 CA ARG A 15 0.812 -2.475 5.464 1.00 0.00 C ATOM 216 C ARG A 15 -0.353 -1.980 4.611 1.00 0.00 C ATOM 217 O ARG A 15 -0.628 -0.784 4.629 1.00 0.00 O ATOM 218 CB ARG A 15 1.942 -2.897 4.515 1.00 0.00 C ATOM 219 CG ARG A 15 3.377 -3.017 5.052 1.00 0.00 C ATOM 220 CD ARG A 15 4.183 -3.603 3.879 1.00 0.00 C ATOM 221 NE ARG A 15 5.632 -3.740 4.101 1.00 0.00 N ATOM 222 CZ ARG A 15 6.423 -4.513 3.338 1.00 0.00 C ATOM 223 NH1 ARG A 15 5.923 -5.220 2.328 1.00 0.00 N ATOM 224 NH2 ARG A 15 7.717 -4.569 3.573 1.00 0.00 N ATOM 0 H ARG A 15 0.879 -4.470 6.110 1.00 0.00 H new ATOM 0 HA ARG A 15 1.157 -1.683 6.128 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.670 -3.864 4.093 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.960 -2.183 3.691 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.769 -2.046 5.356 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.420 -3.667 5.926 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.777 -4.586 3.639 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.027 -2.971 3.004 1.00 0.00 H new ATOM 0 HE ARG A 15 6.056 -3.223 4.871 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.925 -5.180 2.123 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.538 -5.802 1.759 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.121 -4.025 4.335 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.316 -5.156 2.993 1.00 0.00 H new ATOM 238 N SER A 16 -1.026 -2.871 3.874 1.00 0.00 N ATOM 239 CA SER A 16 -1.998 -2.458 2.871 1.00 0.00 C ATOM 240 C SER A 16 -3.119 -1.566 3.430 1.00 0.00 C ATOM 241 O SER A 16 -3.324 -0.500 2.851 1.00 0.00 O ATOM 242 CB SER A 16 -2.557 -3.661 2.109 1.00 0.00 C ATOM 243 OG SER A 16 -1.581 -4.652 1.845 1.00 0.00 O ATOM 0 H SER A 16 -0.911 -3.881 3.958 1.00 0.00 H new ATOM 0 HA SER A 16 -1.453 -1.833 2.164 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.369 -4.104 2.686 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.985 -3.320 1.166 1.00 0.00 H new ATOM 0 HG SER A 16 -0.697 -4.233 1.784 1.00 0.00 H new ATOM 249 N PRO A 17 -3.826 -1.902 4.531 1.00 0.00 N ATOM 250 CA PRO A 17 -4.862 -1.017 5.057 1.00 0.00 C ATOM 251 C PRO A 17 -4.282 0.275 5.633 1.00 0.00 C ATOM 252 O PRO A 17 -4.906 1.329 5.505 1.00 0.00 O ATOM 253 CB PRO A 17 -5.605 -1.816 6.128 1.00 0.00 C ATOM 254 CG PRO A 17 -4.614 -2.895 6.554 1.00 0.00 C ATOM 255 CD PRO A 17 -3.815 -3.154 5.280 1.00 0.00 C ATOM 0 HA PRO A 17 -5.533 -0.701 4.258 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.890 -1.184 6.969 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.522 -2.253 5.733 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -3.974 -2.556 7.369 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.122 -3.795 6.901 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.795 -3.458 5.515 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.261 -3.960 4.698 1.00 0.00 H new ATOM 263 N THR A 18 -3.095 0.221 6.243 1.00 0.00 N ATOM 264 CA THR A 18 -2.458 1.408 6.797 1.00 0.00 C ATOM 265 C THR A 18 -2.161 2.393 5.655 1.00 0.00 C ATOM 266 O THR A 18 -2.547 3.560 5.721 1.00 0.00 O ATOM 267 CB THR A 18 -1.203 0.983 7.586 1.00 0.00 C ATOM 268 OG1 THR A 18 -1.537 0.000 8.547 1.00 0.00 O ATOM 269 CG2 THR A 18 -0.567 2.152 8.338 1.00 0.00 C ATOM 0 H THR A 18 -2.558 -0.638 6.364 1.00 0.00 H new ATOM 0 HA THR A 18 -3.112 1.924 7.499 1.00 0.00 H new ATOM 0 HB THR A 18 -0.496 0.598 6.851 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.212 -0.875 8.247 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.313 1.802 8.878 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.273 2.925 7.628 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.287 2.564 9.045 1.00 0.00 H new ATOM 277 N ALA A 19 -1.552 1.899 4.572 1.00 0.00 N ATOM 278 CA ALA A 19 -1.268 2.683 3.382 1.00 0.00 C ATOM 279 C ALA A 19 -2.544 3.201 2.724 1.00 0.00 C ATOM 280 O ALA A 19 -2.601 4.382 2.385 1.00 0.00 O ATOM 281 CB ALA A 19 -0.514 1.792 2.399 1.00 0.00 C ATOM 0 H ALA A 19 -1.241 0.930 4.504 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.673 3.551 3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.288 2.357 1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.415 1.451 2.856 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.130 0.930 2.143 1.00 0.00 H new ATOM 287 N GLU A 20 -3.547 2.333 2.554 1.00 0.00 N ATOM 288 CA GLU A 20 -4.823 2.692 1.944 1.00 0.00 C ATOM 289 C GLU A 20 -5.394 3.923 2.639 1.00 0.00 C ATOM 290 O GLU A 20 -5.705 4.926 1.994 1.00 0.00 O ATOM 291 CB GLU A 20 -5.790 1.494 2.054 1.00 0.00 C ATOM 292 CG GLU A 20 -7.204 1.780 1.529 1.00 0.00 C ATOM 293 CD GLU A 20 -8.192 0.667 1.919 1.00 0.00 C ATOM 294 OE1 GLU A 20 -8.032 -0.474 1.432 1.00 0.00 O ATOM 295 OE2 GLU A 20 -9.123 0.934 2.717 1.00 0.00 O ATOM 0 H GLU A 20 -3.491 1.355 2.839 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.682 2.931 0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.372 0.652 1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.856 1.189 3.098 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.554 2.733 1.926 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.176 1.878 0.444 1.00 0.00 H new ATOM 302 N ARG A 21 -5.509 3.862 3.967 1.00 0.00 N ATOM 303 CA ARG A 21 -6.160 4.926 4.709 1.00 0.00 C ATOM 304 C ARG A 21 -5.280 6.158 4.781 1.00 0.00 C ATOM 305 O ARG A 21 -5.824 7.254 4.741 1.00 0.00 O ATOM 306 CB ARG A 21 -6.573 4.434 6.103 1.00 0.00 C ATOM 307 CG ARG A 21 -7.600 3.297 6.053 1.00 0.00 C ATOM 308 CD ARG A 21 -8.959 3.719 5.479 1.00 0.00 C ATOM 309 NE ARG A 21 -9.650 2.539 4.944 1.00 0.00 N ATOM 310 CZ ARG A 21 -10.480 1.716 5.579 1.00 0.00 C ATOM 311 NH1 ARG A 21 -10.924 1.957 6.804 1.00 0.00 N ATOM 312 NH2 ARG A 21 -10.852 0.607 4.958 1.00 0.00 N ATOM 0 H ARG A 21 -5.162 3.093 4.540 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.068 5.214 4.178 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.688 4.094 6.640 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.988 5.268 6.669 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.198 2.482 5.451 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.746 2.907 7.060 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.564 4.188 6.255 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.820 4.460 4.692 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.471 2.324 3.963 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.630 2.801 7.296 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.560 1.299 7.255 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.503 0.406 4.021 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.488 -0.046 5.417 1.00 0.00 H new ATOM 326 N LEU A 22 -3.955 6.024 4.863 1.00 0.00 N ATOM 327 CA LEU A 22 -3.066 7.183 4.884 1.00 0.00 C ATOM 328 C LEU A 22 -3.185 7.959 3.576 1.00 0.00 C ATOM 329 O LEU A 22 -3.365 9.177 3.599 1.00 0.00 O ATOM 330 CB LEU A 22 -1.616 6.735 5.119 1.00 0.00 C ATOM 331 CG LEU A 22 -1.313 6.464 6.605 1.00 0.00 C ATOM 332 CD1 LEU A 22 -0.017 5.658 6.713 1.00 0.00 C ATOM 333 CD2 LEU A 22 -1.188 7.782 7.381 1.00 0.00 C ATOM 0 H LEU A 22 -3.476 5.125 4.916 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.360 7.840 5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.421 5.831 4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.938 7.503 4.748 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.134 5.894 7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.204 5.463 7.762 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.132 4.712 6.184 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.802 6.225 6.270 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.974 7.569 8.428 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.378 8.377 6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.123 8.338 7.308 1.00 0.00 H new ATOM 345 N LEU A 23 -3.143 7.262 2.437 1.00 0.00 N ATOM 346 CA LEU A 23 -3.325 7.874 1.126 1.00 0.00 C ATOM 347 C LEU A 23 -4.704 8.527 1.045 1.00 0.00 C ATOM 348 O LEU A 23 -4.821 9.662 0.586 1.00 0.00 O ATOM 349 CB LEU A 23 -3.173 6.814 0.020 1.00 0.00 C ATOM 350 CG LEU A 23 -1.721 6.362 -0.218 1.00 0.00 C ATOM 351 CD1 LEU A 23 -1.704 5.051 -1.011 1.00 0.00 C ATOM 352 CD2 LEU A 23 -0.911 7.422 -0.977 1.00 0.00 C ATOM 0 H LEU A 23 -2.981 6.256 2.402 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.562 8.639 0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.776 5.944 0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.575 7.214 -0.911 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.260 6.215 0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.673 4.738 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.232 4.280 -0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.195 5.201 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.108 7.064 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.374 7.609 -1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.891 8.347 -0.400 1.00 0.00 H new ATOM 364 N GLN A 24 -5.747 7.838 1.513 1.00 0.00 N ATOM 365 CA GLN A 24 -7.106 8.349 1.429 1.00 0.00 C ATOM 366 C GLN A 24 -7.355 9.516 2.393 1.00 0.00 C ATOM 367 O GLN A 24 -8.153 10.392 2.079 1.00 0.00 O ATOM 368 CB GLN A 24 -8.093 7.197 1.636 1.00 0.00 C ATOM 369 CG GLN A 24 -9.523 7.628 1.296 1.00 0.00 C ATOM 370 CD GLN A 24 -10.378 6.416 0.958 1.00 0.00 C ATOM 371 OE1 GLN A 24 -10.885 5.716 1.831 1.00 0.00 O ATOM 372 NE2 GLN A 24 -10.529 6.131 -0.324 1.00 0.00 N ATOM 0 H GLN A 24 -5.670 6.922 1.955 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.261 8.765 0.433 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.806 6.352 1.011 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.049 6.857 2.671 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.958 8.164 2.140 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.510 8.318 0.453 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -10.099 6.726 -1.033 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -11.075 5.316 -0.604 1.00 0.00 H new ATOM 381 N ARG A 25 -6.665 9.590 3.535 1.00 0.00 N ATOM 382 CA ARG A 25 -6.734 10.744 4.427 1.00 0.00 C ATOM 383 C ARG A 25 -6.272 11.985 3.668 1.00 0.00 C ATOM 384 O ARG A 25 -6.935 13.020 3.717 1.00 0.00 O ATOM 385 CB ARG A 25 -5.880 10.483 5.681 1.00 0.00 C ATOM 386 CG ARG A 25 -6.048 11.573 6.753 1.00 0.00 C ATOM 387 CD ARG A 25 -5.053 11.389 7.906 1.00 0.00 C ATOM 388 NE ARG A 25 -3.671 11.684 7.482 1.00 0.00 N ATOM 389 CZ ARG A 25 -2.559 11.377 8.163 1.00 0.00 C ATOM 390 NH1 ARG A 25 -2.593 10.754 9.334 1.00 0.00 N ATOM 391 NH2 ARG A 25 -1.366 11.688 7.682 1.00 0.00 N ATOM 0 H ARG A 25 -6.044 8.851 3.864 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.759 10.910 4.760 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.152 9.517 6.106 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.830 10.421 5.394 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.904 12.554 6.301 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.066 11.547 7.142 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.328 12.044 8.733 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.110 10.366 8.277 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.552 12.165 6.590 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.488 10.491 9.746 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.724 10.538 9.822 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.287 12.166 6.785 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.526 11.450 8.209 1.00 0.00 H new ATOM 405 N TYR A 26 -5.153 11.868 2.946 1.00 0.00 N ATOM 406 CA TYR A 26 -4.646 12.955 2.122 1.00 0.00 C ATOM 407 C TYR A 26 -5.539 13.223 0.901 1.00 0.00 C ATOM 408 O TYR A 26 -5.604 14.371 0.458 1.00 0.00 O ATOM 409 CB TYR A 26 -3.206 12.670 1.680 1.00 0.00 C ATOM 410 CG TYR A 26 -2.167 12.612 2.789 1.00 0.00 C ATOM 411 CD1 TYR A 26 -2.018 13.699 3.671 1.00 0.00 C ATOM 412 CD2 TYR A 26 -1.306 11.502 2.904 1.00 0.00 C ATOM 413 CE1 TYR A 26 -1.020 13.681 4.660 1.00 0.00 C ATOM 414 CE2 TYR A 26 -0.302 11.480 3.889 1.00 0.00 C ATOM 415 CZ TYR A 26 -0.143 12.580 4.759 1.00 0.00 C ATOM 416 OH TYR A 26 0.839 12.587 5.705 1.00 0.00 O ATOM 0 H TYR A 26 -4.582 11.023 2.920 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.657 13.856 2.736 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.192 11.720 1.146 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.906 13.439 0.968 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.675 14.552 3.587 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.418 10.664 2.232 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.924 14.511 5.345 1.00 0.00 H new ATOM 0 HE2 TYR A 26 0.347 10.622 3.980 1.00 0.00 H new ATOM 0 HH TYR A 26 1.357 11.757 5.645 1.00 0.00 H new ATOM 426 N HIS A 27 -6.230 12.212 0.361 1.00 0.00 N ATOM 427 CA HIS A 27 -7.022 12.324 -0.859 1.00 0.00 C ATOM 428 C HIS A 27 -8.329 11.524 -0.723 1.00 0.00 C ATOM 429 O HIS A 27 -8.406 10.383 -1.190 1.00 0.00 O ATOM 430 CB HIS A 27 -6.178 11.909 -2.080 1.00 0.00 C ATOM 431 CG HIS A 27 -5.646 13.095 -2.836 1.00 0.00 C ATOM 432 ND1 HIS A 27 -6.414 14.110 -3.353 1.00 0.00 N ATOM 433 CD2 HIS A 27 -4.346 13.354 -3.175 1.00 0.00 C ATOM 434 CE1 HIS A 27 -5.602 14.966 -3.989 1.00 0.00 C ATOM 435 NE2 HIS A 27 -4.325 14.545 -3.909 1.00 0.00 N ATOM 0 H HIS A 27 -6.252 11.278 0.771 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.311 13.363 -1.018 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.345 11.289 -1.749 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.785 11.298 -2.748 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -7.427 14.197 -3.268 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.489 12.747 -2.921 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.925 15.865 -4.493 1.00 0.00 H new ATOM 443 N PRO A 28 -9.364 12.083 -0.067 1.00 0.00 N ATOM 444 CA PRO A 28 -10.624 11.383 0.160 1.00 0.00 C ATOM 445 C PRO A 28 -11.436 11.176 -1.129 1.00 0.00 C ATOM 446 O PRO A 28 -12.413 10.426 -1.109 1.00 0.00 O ATOM 447 CB PRO A 28 -11.380 12.229 1.191 1.00 0.00 C ATOM 448 CG PRO A 28 -10.843 13.640 0.958 1.00 0.00 C ATOM 449 CD PRO A 28 -9.388 13.392 0.570 1.00 0.00 C ATOM 0 HA PRO A 28 -10.446 10.371 0.523 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.458 12.180 1.038 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.187 11.889 2.208 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.390 14.155 0.168 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.923 14.256 1.854 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.028 14.164 -0.110 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.741 13.412 1.447 1.00 0.00 H new ATOM 457 N GLU A 29 -11.046 11.815 -2.238 1.00 0.00 N ATOM 458 CA GLU A 29 -11.778 11.766 -3.502 1.00 0.00 C ATOM 459 C GLU A 29 -11.039 10.938 -4.568 1.00 0.00 C ATOM 460 O GLU A 29 -11.467 10.901 -5.723 1.00 0.00 O ATOM 461 CB GLU A 29 -12.129 13.194 -3.963 1.00 0.00 C ATOM 462 CG GLU A 29 -10.958 14.085 -4.416 1.00 0.00 C ATOM 463 CD GLU A 29 -10.080 14.585 -3.257 1.00 0.00 C ATOM 464 OE1 GLU A 29 -9.155 13.848 -2.846 1.00 0.00 O ATOM 465 OE2 GLU A 29 -10.295 15.723 -2.778 1.00 0.00 O ATOM 0 H GLU A 29 -10.202 12.387 -2.280 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.719 11.239 -3.343 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.838 13.120 -4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.643 13.698 -3.145 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.337 13.526 -5.116 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.354 14.944 -4.957 1.00 0.00 H new ATOM 472 N LEU A 30 -9.957 10.247 -4.188 1.00 0.00 N ATOM 473 CA LEU A 30 -9.278 9.254 -5.025 1.00 0.00 C ATOM 474 C LEU A 30 -9.617 7.899 -4.404 1.00 0.00 C ATOM 475 O LEU A 30 -9.722 7.781 -3.175 1.00 0.00 O ATOM 476 CB LEU A 30 -7.749 9.492 -5.080 1.00 0.00 C ATOM 477 CG LEU A 30 -7.236 10.638 -5.980 1.00 0.00 C ATOM 478 CD1 LEU A 30 -7.377 10.264 -7.456 1.00 0.00 C ATOM 479 CD2 LEU A 30 -7.906 11.995 -5.755 1.00 0.00 C ATOM 0 H LEU A 30 -9.522 10.366 -3.273 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.611 9.315 -6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.402 9.681 -4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.277 8.567 -5.411 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.191 10.759 -5.694 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.011 11.083 -8.075 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.795 9.366 -7.661 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.426 10.077 -7.685 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.476 12.730 -6.435 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.976 11.908 -5.944 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.744 12.314 -4.725 1.00 0.00 H new ATOM 491 N LYS A 31 -9.819 6.873 -5.236 1.00 0.00 N ATOM 492 CA LYS A 31 -10.169 5.555 -4.716 1.00 0.00 C ATOM 493 C LYS A 31 -8.853 4.842 -4.438 1.00 0.00 C ATOM 494 O LYS A 31 -7.991 4.767 -5.316 1.00 0.00 O ATOM 495 CB LYS A 31 -11.053 4.793 -5.721 1.00 0.00 C ATOM 496 CG LYS A 31 -11.406 3.358 -5.282 1.00 0.00 C ATOM 497 CD LYS A 31 -12.334 3.244 -4.055 1.00 0.00 C ATOM 498 CE LYS A 31 -13.793 2.918 -4.409 1.00 0.00 C ATOM 499 NZ LYS A 31 -13.948 1.589 -5.056 1.00 0.00 N ATOM 0 H LYS A 31 -9.747 6.930 -6.252 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.757 5.622 -3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.976 5.352 -5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.541 4.752 -6.682 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.878 2.847 -6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.480 2.826 -5.065 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.949 2.470 -3.391 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.305 4.182 -3.501 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -14.397 2.948 -3.502 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -14.181 3.688 -5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.861 1.174 -4.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.914 1.700 -6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.177 0.962 -4.750 1.00 0.00 H new ATOM 513 N VAL A 32 -8.714 4.296 -3.235 1.00 0.00 N ATOM 514 CA VAL A 32 -7.555 3.515 -2.848 1.00 0.00 C ATOM 515 C VAL A 32 -8.123 2.294 -2.130 1.00 0.00 C ATOM 516 O VAL A 32 -9.030 2.429 -1.305 1.00 0.00 O ATOM 517 CB VAL A 32 -6.605 4.343 -1.950 1.00 0.00 C ATOM 518 CG1 VAL A 32 -5.270 3.603 -1.773 1.00 0.00 C ATOM 519 CG2 VAL A 32 -6.302 5.745 -2.511 1.00 0.00 C ATOM 0 H VAL A 32 -9.412 4.387 -2.497 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.947 3.217 -3.702 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.123 4.465 -0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.608 4.193 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.450 2.634 -1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.804 3.456 -2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.631 6.271 -1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.829 5.651 -3.489 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.231 6.306 -2.609 1.00 0.00 H new ATOM 529 N GLU A 33 -7.604 1.115 -2.462 1.00 0.00 N ATOM 530 CA GLU A 33 -8.000 -0.141 -1.840 1.00 0.00 C ATOM 531 C GLU A 33 -6.748 -0.984 -1.561 1.00 0.00 C ATOM 532 O GLU A 33 -5.632 -0.580 -1.903 1.00 0.00 O ATOM 533 CB GLU A 33 -8.985 -0.887 -2.752 1.00 0.00 C ATOM 534 CG GLU A 33 -10.376 -0.243 -2.824 1.00 0.00 C ATOM 535 CD GLU A 33 -11.387 -1.061 -3.647 1.00 0.00 C ATOM 536 OE1 GLU A 33 -11.135 -2.257 -3.931 1.00 0.00 O ATOM 537 OE2 GLU A 33 -12.444 -0.495 -4.010 1.00 0.00 O ATOM 0 H GLU A 33 -6.888 1.006 -3.180 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.503 0.054 -0.893 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.567 -0.938 -3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.088 -1.912 -2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.762 -0.115 -1.813 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.285 0.752 -3.259 1.00 0.00 H new ATOM 544 N SER A 34 -6.925 -2.164 -0.961 1.00 0.00 N ATOM 545 CA SER A 34 -5.822 -2.983 -0.477 1.00 0.00 C ATOM 546 C SER A 34 -5.989 -4.459 -0.874 1.00 0.00 C ATOM 547 O SER A 34 -7.114 -4.933 -1.077 1.00 0.00 O ATOM 548 CB SER A 34 -5.740 -2.800 1.047 1.00 0.00 C ATOM 549 OG SER A 34 -7.009 -2.801 1.672 1.00 0.00 O ATOM 0 H SER A 34 -7.844 -2.576 -0.799 1.00 0.00 H new ATOM 0 HA SER A 34 -4.888 -2.663 -0.938 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.131 -3.599 1.471 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.233 -1.861 1.268 1.00 0.00 H new ATOM 0 HG SER A 34 -7.246 -1.887 1.933 1.00 0.00 H new ATOM 555 N ALA A 35 -4.859 -5.166 -0.988 1.00 0.00 N ATOM 556 CA ALA A 35 -4.774 -6.606 -1.225 1.00 0.00 C ATOM 557 C ALA A 35 -3.346 -7.056 -0.852 1.00 0.00 C ATOM 558 O ALA A 35 -2.546 -6.271 -0.319 1.00 0.00 O ATOM 559 CB ALA A 35 -5.044 -6.908 -2.709 1.00 0.00 C ATOM 0 H ALA A 35 -3.941 -4.728 -0.914 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.513 -7.137 -0.626 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.979 -7.983 -2.879 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.041 -6.558 -2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.303 -6.398 -3.325 1.00 0.00 H new ATOM 565 N GLY A 36 -2.986 -8.302 -1.163 1.00 0.00 N ATOM 566 CA GLY A 36 -1.615 -8.761 -1.000 1.00 0.00 C ATOM 567 C GLY A 36 -1.216 -9.896 -1.926 1.00 0.00 C ATOM 568 O GLY A 36 -2.062 -10.610 -2.461 1.00 0.00 O ATOM 0 H GLY A 36 -3.627 -9.007 -1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.942 -7.920 -1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.474 -9.084 0.031 1.00 0.00 H new ATOM 572 N LEU A 37 0.096 -10.052 -2.112 1.00 0.00 N ATOM 573 CA LEU A 37 0.668 -11.142 -2.899 1.00 0.00 C ATOM 574 C LEU A 37 0.570 -12.427 -2.075 1.00 0.00 C ATOM 575 O LEU A 37 0.041 -13.431 -2.549 1.00 0.00 O ATOM 576 CB LEU A 37 2.123 -10.781 -3.262 1.00 0.00 C ATOM 577 CG LEU A 37 2.686 -11.529 -4.488 1.00 0.00 C ATOM 578 CD1 LEU A 37 4.065 -10.960 -4.834 1.00 0.00 C ATOM 579 CD2 LEU A 37 2.825 -13.045 -4.304 1.00 0.00 C ATOM 0 H LEU A 37 0.794 -9.421 -1.718 1.00 0.00 H new ATOM 0 HA LEU A 37 0.127 -11.297 -3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.181 -9.709 -3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.760 -10.989 -2.402 1.00 0.00 H new ATOM 0 HG LEU A 37 1.960 -11.376 -5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.468 -11.485 -5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.973 -9.898 -5.063 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.736 -11.091 -3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.228 -13.487 -5.215 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.499 -13.250 -3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.847 -13.477 -4.093 1.00 0.00 H new ATOM 591 N GLY A 38 0.989 -12.356 -0.807 1.00 0.00 N ATOM 592 CA GLY A 38 0.860 -13.444 0.158 1.00 0.00 C ATOM 593 C GLY A 38 -0.182 -13.049 1.195 1.00 0.00 C ATOM 594 O GLY A 38 0.136 -12.937 2.380 1.00 0.00 O ATOM 0 H GLY A 38 1.435 -11.524 -0.419 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.563 -14.364 -0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.818 -13.639 0.639 1.00 0.00 H new ATOM 598 N ALA A 39 -1.383 -12.700 0.723 1.00 0.00 N ATOM 599 CA ALA A 39 -2.463 -12.220 1.575 1.00 0.00 C ATOM 600 C ALA A 39 -3.079 -13.334 2.425 1.00 0.00 C ATOM 601 O ALA A 39 -2.812 -14.521 2.222 1.00 0.00 O ATOM 602 CB ALA A 39 -3.556 -11.614 0.693 1.00 0.00 C ATOM 0 H ALA A 39 -1.629 -12.745 -0.266 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.042 -11.479 2.254 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.370 -11.251 1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.142 -10.785 0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.935 -12.374 0.010 1.00 0.00 H new ATOM 608 N LEU A 40 -3.987 -12.929 3.318 1.00 0.00 N ATOM 609 CA LEU A 40 -4.746 -13.824 4.177 1.00 0.00 C ATOM 610 C LEU A 40 -6.212 -13.541 3.860 1.00 0.00 C ATOM 611 O LEU A 40 -6.832 -12.675 4.471 1.00 0.00 O ATOM 612 CB LEU A 40 -4.402 -13.557 5.657 1.00 0.00 C ATOM 613 CG LEU A 40 -2.938 -13.844 6.049 1.00 0.00 C ATOM 614 CD1 LEU A 40 -2.684 -13.350 7.476 1.00 0.00 C ATOM 615 CD2 LEU A 40 -2.595 -15.337 5.955 1.00 0.00 C ATOM 0 H LEU A 40 -4.215 -11.945 3.462 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.513 -14.875 4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.625 -12.514 5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.055 -14.166 6.282 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.298 -13.313 5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.649 -13.553 7.753 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.870 -12.277 7.528 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.352 -13.868 8.165 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.554 -15.490 6.240 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.242 -15.902 6.626 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.745 -15.681 4.932 1.00 0.00 H new ATOM 627 N VAL A 41 -6.736 -14.212 2.836 1.00 0.00 N ATOM 628 CA VAL A 41 -8.080 -14.074 2.367 1.00 0.00 C ATOM 629 C VAL A 41 -9.104 -14.104 3.514 1.00 0.00 C ATOM 630 O VAL A 41 -9.173 -15.070 4.281 1.00 0.00 O ATOM 631 CB VAL A 41 -8.248 -15.209 1.338 1.00 0.00 C ATOM 632 CG1 VAL A 41 -7.677 -14.810 -0.032 1.00 0.00 C ATOM 633 CG2 VAL A 41 -7.670 -16.587 1.727 1.00 0.00 C ATOM 0 H VAL A 41 -6.198 -14.892 2.299 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.268 -13.105 1.905 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.329 -15.340 1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.811 -15.632 -0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.200 -13.928 -0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.615 -14.587 0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.852 -17.298 0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.597 -16.497 1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.153 -16.940 2.638 1.00 0.00 H new ATOM 643 N GLY A 42 -9.881 -13.022 3.621 1.00 0.00 N ATOM 644 CA GLY A 42 -11.016 -12.927 4.530 1.00 0.00 C ATOM 645 C GLY A 42 -10.672 -12.354 5.907 1.00 0.00 C ATOM 646 O GLY A 42 -11.575 -12.222 6.736 1.00 0.00 O ATOM 0 H GLY A 42 -9.733 -12.178 3.068 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.783 -12.304 4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.447 -13.920 4.660 1.00 0.00 H new ATOM 650 N LYS A 43 -9.402 -12.034 6.192 1.00 0.00 N ATOM 651 CA LYS A 43 -8.993 -11.595 7.533 1.00 0.00 C ATOM 652 C LYS A 43 -9.195 -10.090 7.642 1.00 0.00 C ATOM 653 O LYS A 43 -9.014 -9.364 6.660 1.00 0.00 O ATOM 654 CB LYS A 43 -7.530 -11.986 7.837 1.00 0.00 C ATOM 655 CG LYS A 43 -7.331 -13.456 8.265 1.00 0.00 C ATOM 656 CD LYS A 43 -8.033 -14.442 7.324 1.00 0.00 C ATOM 657 CE LYS A 43 -7.622 -15.905 7.500 1.00 0.00 C ATOM 658 NZ LYS A 43 -8.418 -16.780 6.600 1.00 0.00 N ATOM 0 H LYS A 43 -8.642 -12.071 5.513 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.611 -12.099 8.276 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.925 -11.795 6.950 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.151 -11.337 8.627 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.265 -13.682 8.293 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.712 -13.591 9.277 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.110 -14.362 7.475 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.832 -14.145 6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.560 -16.019 7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.770 -16.208 8.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.841 -17.594 6.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.264 -17.117 7.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.707 -16.241 5.759 1.00 0.00 H new ATOM 672 N GLY A 44 -9.559 -9.629 8.838 1.00 0.00 N ATOM 673 CA GLY A 44 -9.654 -8.209 9.132 1.00 0.00 C ATOM 674 C GLY A 44 -8.267 -7.577 9.226 1.00 0.00 C ATOM 675 O GLY A 44 -7.243 -8.265 9.179 1.00 0.00 O ATOM 0 H GLY A 44 -9.795 -10.232 9.626 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.233 -7.711 8.354 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.189 -8.063 10.071 1.00 0.00 H new ATOM 679 N ALA A 45 -8.246 -6.253 9.377 1.00 0.00 N ATOM 680 CA ALA A 45 -7.010 -5.516 9.633 1.00 0.00 C ATOM 681 C ALA A 45 -6.375 -5.997 10.945 1.00 0.00 C ATOM 682 O ALA A 45 -7.070 -6.399 11.882 1.00 0.00 O ATOM 683 CB ALA A 45 -7.281 -4.005 9.658 1.00 0.00 C ATOM 0 H ALA A 45 -9.078 -5.666 9.326 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.304 -5.709 8.825 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.350 -3.472 9.850 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.687 -3.692 8.696 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.999 -3.777 10.446 1.00 0.00 H new ATOM 689 N ASP A 46 -5.045 -5.955 10.997 1.00 0.00 N ATOM 690 CA ASP A 46 -4.275 -6.448 12.133 1.00 0.00 C ATOM 691 C ASP A 46 -4.518 -5.568 13.368 1.00 0.00 C ATOM 692 O ASP A 46 -4.486 -4.343 13.236 1.00 0.00 O ATOM 693 CB ASP A 46 -2.790 -6.435 11.765 1.00 0.00 C ATOM 694 CG ASP A 46 -1.954 -7.084 12.862 1.00 0.00 C ATOM 695 OD1 ASP A 46 -1.623 -6.409 13.858 1.00 0.00 O ATOM 696 OD2 ASP A 46 -1.641 -8.284 12.729 1.00 0.00 O ATOM 0 H ASP A 46 -4.469 -5.575 10.246 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.589 -7.464 12.371 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.639 -6.966 10.825 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.459 -5.408 11.608 1.00 0.00 H new ATOM 701 N PRO A 47 -4.727 -6.128 14.573 1.00 0.00 N ATOM 702 CA PRO A 47 -5.033 -5.329 15.756 1.00 0.00 C ATOM 703 C PRO A 47 -3.894 -4.383 16.152 1.00 0.00 C ATOM 704 O PRO A 47 -4.156 -3.335 16.746 1.00 0.00 O ATOM 705 CB PRO A 47 -5.363 -6.335 16.864 1.00 0.00 C ATOM 706 CG PRO A 47 -4.659 -7.616 16.420 1.00 0.00 C ATOM 707 CD PRO A 47 -4.744 -7.546 14.896 1.00 0.00 C ATOM 0 HA PRO A 47 -5.872 -4.661 15.561 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.999 -5.995 17.834 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.438 -6.483 16.961 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.626 -7.649 16.765 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.154 -8.505 16.811 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.905 -8.065 14.432 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.655 -8.021 14.531 1.00 0.00 H new ATOM 715 N THR A 48 -2.644 -4.698 15.814 1.00 0.00 N ATOM 716 CA THR A 48 -1.510 -3.833 16.114 1.00 0.00 C ATOM 717 C THR A 48 -1.550 -2.635 15.163 1.00 0.00 C ATOM 718 O THR A 48 -1.388 -1.496 15.602 1.00 0.00 O ATOM 719 CB THR A 48 -0.179 -4.608 15.969 1.00 0.00 C ATOM 720 OG1 THR A 48 -0.350 -6.008 16.097 1.00 0.00 O ATOM 721 CG2 THR A 48 0.849 -4.138 17.004 1.00 0.00 C ATOM 0 H THR A 48 -2.392 -5.558 15.326 1.00 0.00 H new ATOM 0 HA THR A 48 -1.573 -3.484 17.145 1.00 0.00 H new ATOM 0 HB THR A 48 0.184 -4.396 14.963 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.593 -6.389 15.227 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.775 -4.700 16.879 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.048 -3.076 16.863 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.457 -4.304 18.007 1.00 0.00 H new ATOM 729 N ALA A 49 -1.844 -2.879 13.878 1.00 0.00 N ATOM 730 CA ALA A 49 -1.999 -1.818 12.895 1.00 0.00 C ATOM 731 C ALA A 49 -3.166 -0.907 13.278 1.00 0.00 C ATOM 732 O ALA A 49 -3.009 0.311 13.265 1.00 0.00 O ATOM 733 CB ALA A 49 -2.210 -2.430 11.505 1.00 0.00 C ATOM 0 H ALA A 49 -1.979 -3.817 13.500 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.094 -1.211 12.873 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.326 -1.633 10.770 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.348 -3.043 11.243 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.107 -3.050 11.513 1.00 0.00 H new ATOM 739 N ILE A 50 -4.308 -1.484 13.672 1.00 0.00 N ATOM 740 CA ILE A 50 -5.462 -0.725 14.147 1.00 0.00 C ATOM 741 C ILE A 50 -5.042 0.116 15.356 1.00 0.00 C ATOM 742 O ILE A 50 -5.349 1.303 15.379 1.00 0.00 O ATOM 743 CB ILE A 50 -6.645 -1.666 14.482 1.00 0.00 C ATOM 744 CG1 ILE A 50 -7.190 -2.369 13.214 1.00 0.00 C ATOM 745 CG2 ILE A 50 -7.801 -0.910 15.171 1.00 0.00 C ATOM 746 CD1 ILE A 50 -8.122 -3.551 13.516 1.00 0.00 C ATOM 0 H ILE A 50 -4.454 -2.494 13.669 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.809 -0.056 13.360 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.252 -2.416 15.168 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.727 -1.640 12.608 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.350 -2.723 12.616 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.611 -1.605 15.389 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.443 -0.466 16.100 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.166 -0.123 14.511 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.464 -3.993 12.580 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.583 -4.300 14.096 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.982 -3.200 14.087 1.00 0.00 H new ATOM 758 N SER A 51 -4.341 -0.456 16.341 1.00 0.00 N ATOM 759 CA SER A 51 -3.969 0.271 17.553 1.00 0.00 C ATOM 760 C SER A 51 -3.081 1.474 17.221 1.00 0.00 C ATOM 761 O SER A 51 -3.352 2.587 17.677 1.00 0.00 O ATOM 762 CB SER A 51 -3.268 -0.670 18.541 1.00 0.00 C ATOM 763 OG SER A 51 -4.108 -1.752 18.906 1.00 0.00 O ATOM 0 H SER A 51 -4.020 -1.424 16.319 1.00 0.00 H new ATOM 0 HA SER A 51 -4.878 0.649 18.020 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.351 -1.054 18.093 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.979 -0.114 19.433 1.00 0.00 H new ATOM 0 HG SER A 51 -4.177 -2.380 18.157 1.00 0.00 H new ATOM 769 N VAL A 52 -2.050 1.278 16.393 1.00 0.00 N ATOM 770 CA VAL A 52 -1.158 2.362 15.997 1.00 0.00 C ATOM 771 C VAL A 52 -1.936 3.400 15.177 1.00 0.00 C ATOM 772 O VAL A 52 -1.762 4.596 15.403 1.00 0.00 O ATOM 773 CB VAL A 52 0.078 1.780 15.276 1.00 0.00 C ATOM 774 CG1 VAL A 52 0.997 2.857 14.686 1.00 0.00 C ATOM 775 CG2 VAL A 52 0.916 0.954 16.270 1.00 0.00 C ATOM 0 H VAL A 52 -1.815 0.373 15.985 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.777 2.893 16.870 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.307 1.170 14.459 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.845 2.382 14.194 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.442 3.451 13.960 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.357 3.505 15.485 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.787 0.544 15.759 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.243 1.594 17.089 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.311 0.138 16.666 1.00 0.00 H new ATOM 785 N ALA A 53 -2.837 2.990 14.278 1.00 0.00 N ATOM 786 CA ALA A 53 -3.599 3.938 13.475 1.00 0.00 C ATOM 787 C ALA A 53 -4.615 4.707 14.329 1.00 0.00 C ATOM 788 O ALA A 53 -4.844 5.892 14.088 1.00 0.00 O ATOM 789 CB ALA A 53 -4.279 3.196 12.326 1.00 0.00 C ATOM 0 H ALA A 53 -3.052 2.010 14.092 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.916 4.679 13.060 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.850 3.903 11.724 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.523 2.717 11.704 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.950 2.438 12.729 1.00 0.00 H new ATOM 795 N ALA A 54 -5.189 4.074 15.357 1.00 0.00 N ATOM 796 CA ALA A 54 -6.094 4.726 16.294 1.00 0.00 C ATOM 797 C ALA A 54 -5.358 5.766 17.142 1.00 0.00 C ATOM 798 O ALA A 54 -5.950 6.788 17.490 1.00 0.00 O ATOM 799 CB ALA A 54 -6.763 3.680 17.191 1.00 0.00 C ATOM 0 H ALA A 54 -5.034 3.086 15.559 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.862 5.246 15.721 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.438 4.177 17.888 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.328 2.980 16.575 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.000 3.137 17.749 1.00 0.00 H new ATOM 805 N GLU A 55 -4.064 5.569 17.420 1.00 0.00 N ATOM 806 CA GLU A 55 -3.229 6.585 18.066 1.00 0.00 C ATOM 807 C GLU A 55 -3.097 7.854 17.196 1.00 0.00 C ATOM 808 O GLU A 55 -2.827 8.935 17.723 1.00 0.00 O ATOM 809 CB GLU A 55 -1.864 5.976 18.433 1.00 0.00 C ATOM 810 CG GLU A 55 -1.108 6.808 19.480 1.00 0.00 C ATOM 811 CD GLU A 55 0.172 6.097 19.953 1.00 0.00 C ATOM 812 OE1 GLU A 55 0.113 5.311 20.926 1.00 0.00 O ATOM 813 OE2 GLU A 55 1.258 6.339 19.380 1.00 0.00 O ATOM 0 H GLU A 55 -3.569 4.704 17.204 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.713 6.907 18.988 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.012 4.966 18.815 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.255 5.891 17.533 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.850 7.779 19.057 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.758 6.995 20.335 1.00 0.00 H new ATOM 820 N HIS A 56 -3.389 7.753 15.892 1.00 0.00 N ATOM 821 CA HIS A 56 -3.465 8.863 14.941 1.00 0.00 C ATOM 822 C HIS A 56 -4.908 9.078 14.438 1.00 0.00 C ATOM 823 O HIS A 56 -5.123 9.798 13.461 1.00 0.00 O ATOM 824 CB HIS A 56 -2.475 8.606 13.794 1.00 0.00 C ATOM 825 CG HIS A 56 -1.043 8.490 14.258 1.00 0.00 C ATOM 826 ND1 HIS A 56 -0.238 9.517 14.702 1.00 0.00 N ATOM 827 CD2 HIS A 56 -0.308 7.339 14.344 1.00 0.00 C ATOM 828 CE1 HIS A 56 0.951 8.994 15.044 1.00 0.00 C ATOM 829 NE2 HIS A 56 0.961 7.663 14.844 1.00 0.00 N ATOM 0 H HIS A 56 -3.587 6.853 15.455 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.183 9.790 15.439 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -2.758 7.689 13.277 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.551 9.417 13.069 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.647 6.350 14.073 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.785 9.564 15.427 1.00 0.00 H new ATOM 0 HE2 HIS A 56 1.734 7.021 15.020 1.00 0.00 H new ATOM 837 N GLN A 57 -5.888 8.480 15.131 1.00 0.00 N ATOM 838 CA GLN A 57 -7.318 8.601 14.846 1.00 0.00 C ATOM 839 C GLN A 57 -7.656 8.357 13.365 1.00 0.00 C ATOM 840 O GLN A 57 -8.395 9.130 12.749 1.00 0.00 O ATOM 841 CB GLN A 57 -7.895 9.917 15.420 1.00 0.00 C ATOM 842 CG GLN A 57 -7.761 10.068 16.947 1.00 0.00 C ATOM 843 CD GLN A 57 -6.352 10.458 17.401 1.00 0.00 C ATOM 844 OE1 GLN A 57 -5.878 11.564 17.151 1.00 0.00 O ATOM 845 NE2 GLN A 57 -5.643 9.563 18.069 1.00 0.00 N ATOM 0 H GLN A 57 -5.696 7.879 15.932 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.828 7.794 15.372 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.393 10.757 14.940 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -8.950 9.982 15.154 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -8.467 10.823 17.293 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.040 9.128 17.423 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.041 8.647 18.274 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.698 9.789 18.379 1.00 0.00 H new ATOM 854 N LEU A 58 -7.122 7.268 12.800 1.00 0.00 N ATOM 855 CA LEU A 58 -7.414 6.853 11.431 1.00 0.00 C ATOM 856 C LEU A 58 -7.915 5.416 11.470 1.00 0.00 C ATOM 857 O LEU A 58 -7.158 4.493 11.769 1.00 0.00 O ATOM 858 CB LEU A 58 -6.154 7.011 10.570 1.00 0.00 C ATOM 859 CG LEU A 58 -6.337 6.648 9.091 1.00 0.00 C ATOM 860 CD1 LEU A 58 -7.500 7.412 8.441 1.00 0.00 C ATOM 861 CD2 LEU A 58 -5.022 6.961 8.372 1.00 0.00 C ATOM 0 H LEU A 58 -6.472 6.649 13.286 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.188 7.475 10.982 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.812 8.044 10.637 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.364 6.387 10.988 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.586 5.590 9.010 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.588 7.120 7.395 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.427 7.176 8.963 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.311 8.484 8.504 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.118 6.714 7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.793 8.021 8.477 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.218 6.371 8.811 1.00 0.00 H new ATOM 873 N SER A 59 -9.207 5.226 11.224 1.00 0.00 N ATOM 874 CA SER A 59 -9.856 3.937 11.378 1.00 0.00 C ATOM 875 C SER A 59 -9.513 3.031 10.190 1.00 0.00 C ATOM 876 O SER A 59 -9.963 3.280 9.068 1.00 0.00 O ATOM 877 CB SER A 59 -11.371 4.153 11.502 1.00 0.00 C ATOM 878 OG SER A 59 -11.658 5.137 12.488 1.00 0.00 O ATOM 0 H SER A 59 -9.833 5.968 10.911 1.00 0.00 H new ATOM 0 HA SER A 59 -9.499 3.443 12.282 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.779 4.464 10.540 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.857 3.214 11.766 1.00 0.00 H new ATOM 0 HG SER A 59 -12.628 5.263 12.552 1.00 0.00 H new ATOM 884 N LEU A 60 -8.766 1.947 10.430 1.00 0.00 N ATOM 885 CA LEU A 60 -8.514 0.898 9.424 1.00 0.00 C ATOM 886 C LEU A 60 -9.724 -0.049 9.275 1.00 0.00 C ATOM 887 O LEU A 60 -9.570 -1.210 8.889 1.00 0.00 O ATOM 888 CB LEU A 60 -7.241 0.094 9.765 1.00 0.00 C ATOM 889 CG LEU A 60 -5.960 0.898 10.052 1.00 0.00 C ATOM 890 CD1 LEU A 60 -4.770 -0.063 10.135 1.00 0.00 C ATOM 891 CD2 LEU A 60 -5.667 1.985 9.012 1.00 0.00 C ATOM 0 H LEU A 60 -8.316 1.768 11.328 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.360 1.399 8.469 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.455 -0.524 10.637 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.037 -0.584 8.936 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.119 1.413 11.000 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.860 0.501 10.338 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.938 -0.782 10.937 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.664 -0.594 9.189 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.750 2.509 9.281 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.548 1.527 8.030 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.494 2.694 8.984 1.00 0.00 H new ATOM 903 N GLU A 61 -10.920 0.414 9.646 1.00 0.00 N ATOM 904 CA GLU A 61 -12.103 -0.435 9.763 1.00 0.00 C ATOM 905 C GLU A 61 -12.536 -1.004 8.406 1.00 0.00 C ATOM 906 O GLU A 61 -12.335 -0.374 7.363 1.00 0.00 O ATOM 907 CB GLU A 61 -13.246 0.338 10.447 1.00 0.00 C ATOM 908 CG GLU A 61 -13.723 1.584 9.681 1.00 0.00 C ATOM 909 CD GLU A 61 -14.924 2.248 10.378 1.00 0.00 C ATOM 910 OE1 GLU A 61 -14.723 3.120 11.254 1.00 0.00 O ATOM 911 OE2 GLU A 61 -16.085 1.916 10.046 1.00 0.00 O ATOM 0 H GLU A 61 -11.094 1.393 9.874 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.845 -1.290 10.388 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -14.092 -0.335 10.583 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.918 0.642 11.441 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.905 2.300 9.603 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -14.000 1.304 8.665 1.00 0.00 H new ATOM 918 N GLY A 62 -13.158 -2.185 8.423 1.00 0.00 N ATOM 919 CA GLY A 62 -13.816 -2.756 7.253 1.00 0.00 C ATOM 920 C GLY A 62 -12.868 -3.331 6.199 1.00 0.00 C ATOM 921 O GLY A 62 -13.341 -3.919 5.224 1.00 0.00 O ATOM 0 H GLY A 62 -13.218 -2.773 9.255 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.491 -3.545 7.583 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -14.430 -1.985 6.787 1.00 0.00 H new ATOM 925 N HIS A 63 -11.549 -3.195 6.374 1.00 0.00 N ATOM 926 CA HIS A 63 -10.568 -3.860 5.533 1.00 0.00 C ATOM 927 C HIS A 63 -10.780 -5.370 5.627 1.00 0.00 C ATOM 928 O HIS A 63 -10.922 -5.909 6.728 1.00 0.00 O ATOM 929 CB HIS A 63 -9.150 -3.493 5.984 1.00 0.00 C ATOM 930 CG HIS A 63 -8.098 -4.363 5.341 1.00 0.00 C ATOM 931 ND1 HIS A 63 -7.624 -4.261 4.054 1.00 0.00 N ATOM 932 CD2 HIS A 63 -7.526 -5.484 5.886 1.00 0.00 C ATOM 933 CE1 HIS A 63 -6.794 -5.288 3.837 1.00 0.00 C ATOM 934 NE2 HIS A 63 -6.684 -6.061 4.930 1.00 0.00 N ATOM 0 H HIS A 63 -11.138 -2.617 7.107 1.00 0.00 H new ATOM 0 HA HIS A 63 -10.691 -3.538 4.499 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -8.953 -2.449 5.740 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -9.081 -3.585 7.068 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.863 -3.531 3.383 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.697 -5.858 6.885 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -6.280 -5.471 2.905 1.00 0.00 H new ATOM 942 N CYS A 64 -10.734 -6.037 4.475 1.00 0.00 N ATOM 943 CA CYS A 64 -10.771 -7.486 4.382 1.00 0.00 C ATOM 944 C CYS A 64 -9.656 -7.880 3.416 1.00 0.00 C ATOM 945 O CYS A 64 -9.697 -7.506 2.240 1.00 0.00 O ATOM 946 CB CYS A 64 -12.146 -7.941 3.873 1.00 0.00 C ATOM 947 SG CYS A 64 -13.463 -7.509 5.050 1.00 0.00 S ATOM 0 H CYS A 64 -10.669 -5.574 3.569 1.00 0.00 H new ATOM 0 HA CYS A 64 -10.620 -7.963 5.351 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -12.351 -7.477 2.908 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -12.138 -9.019 3.713 1.00 0.00 H new ATOM 0 HG CYS A 64 -13.510 -6.218 5.194 1.00 0.00 H new ATOM 953 N ALA A 65 -8.644 -8.584 3.923 1.00 0.00 N ATOM 954 CA ALA A 65 -7.507 -9.016 3.126 1.00 0.00 C ATOM 955 C ALA A 65 -7.944 -10.016 2.050 1.00 0.00 C ATOM 956 O ALA A 65 -8.946 -10.720 2.204 1.00 0.00 O ATOM 957 CB ALA A 65 -6.433 -9.593 4.052 1.00 0.00 C ATOM 0 H ALA A 65 -8.594 -8.869 4.901 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.081 -8.162 2.600 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.578 -9.918 3.459 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.114 -8.828 4.760 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.842 -10.444 4.597 1.00 0.00 H new ATOM 963 N ARG A 66 -7.184 -10.069 0.954 1.00 0.00 N ATOM 964 CA ARG A 66 -7.551 -10.798 -0.261 1.00 0.00 C ATOM 965 C ARG A 66 -6.308 -10.919 -1.132 1.00 0.00 C ATOM 966 O ARG A 66 -5.480 -10.005 -1.145 1.00 0.00 O ATOM 967 CB ARG A 66 -8.683 -10.065 -1.015 1.00 0.00 C ATOM 968 CG ARG A 66 -8.369 -8.596 -1.342 1.00 0.00 C ATOM 969 CD ARG A 66 -9.550 -7.908 -2.028 1.00 0.00 C ATOM 970 NE ARG A 66 -9.268 -6.476 -2.191 1.00 0.00 N ATOM 971 CZ ARG A 66 -10.005 -5.586 -2.856 1.00 0.00 C ATOM 972 NH1 ARG A 66 -11.111 -5.933 -3.508 1.00 0.00 N ATOM 973 NH2 ARG A 66 -9.606 -4.326 -2.843 1.00 0.00 N ATOM 0 H ARG A 66 -6.282 -9.599 0.885 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.923 -11.790 -0.005 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.890 -10.597 -1.944 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.592 -10.106 -0.414 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.120 -8.063 -0.424 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.492 -8.546 -1.988 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.733 -8.365 -3.001 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.455 -8.044 -1.436 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.418 -6.125 -1.749 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.418 -6.906 -3.509 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.652 -5.227 -4.007 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.761 -4.064 -2.336 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.143 -3.616 -3.340 1.00 0.00 H new ATOM 987 N GLN A 67 -6.162 -12.030 -1.852 1.00 0.00 N ATOM 988 CA GLN A 67 -4.991 -12.238 -2.683 1.00 0.00 C ATOM 989 C GLN A 67 -5.166 -11.494 -3.997 1.00 0.00 C ATOM 990 O GLN A 67 -6.249 -11.485 -4.587 1.00 0.00 O ATOM 991 CB GLN A 67 -4.708 -13.736 -2.883 1.00 0.00 C ATOM 992 CG GLN A 67 -3.237 -13.931 -3.283 1.00 0.00 C ATOM 993 CD GLN A 67 -2.815 -15.384 -3.490 1.00 0.00 C ATOM 994 OE1 GLN A 67 -3.622 -16.290 -3.692 1.00 0.00 O ATOM 995 NE2 GLN A 67 -1.517 -15.628 -3.448 1.00 0.00 N ATOM 0 H GLN A 67 -6.839 -12.793 -1.873 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.113 -11.832 -2.181 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.922 -14.283 -1.965 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.363 -14.141 -3.655 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.050 -13.379 -4.204 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.604 -13.490 -2.512 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.860 -14.866 -3.280 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.172 -16.578 -3.584 1.00 0.00 H new ATOM 1004 N ILE A 68 -4.072 -10.881 -4.441 1.00 0.00 N ATOM 1005 CA ILE A 68 -3.992 -10.315 -5.769 1.00 0.00 C ATOM 1006 C ILE A 68 -4.181 -11.452 -6.785 1.00 0.00 C ATOM 1007 O ILE A 68 -3.812 -12.606 -6.549 1.00 0.00 O ATOM 1008 CB ILE A 68 -2.680 -9.518 -5.940 1.00 0.00 C ATOM 1009 CG1 ILE A 68 -2.906 -8.437 -7.023 1.00 0.00 C ATOM 1010 CG2 ILE A 68 -1.461 -10.419 -6.205 1.00 0.00 C ATOM 1011 CD1 ILE A 68 -1.643 -7.712 -7.481 1.00 0.00 C ATOM 0 H ILE A 68 -3.223 -10.767 -3.887 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.785 -9.588 -5.942 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.430 -9.022 -5.002 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.374 -8.904 -7.890 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.611 -7.700 -6.639 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.570 -9.802 -6.316 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.326 -11.104 -5.368 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.623 -10.991 -7.119 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.902 -6.974 -8.240 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.182 -7.211 -6.630 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.941 -8.433 -7.900 1.00 0.00 H new ATOM 1023 N SER A 69 -4.779 -11.117 -7.914 1.00 0.00 N ATOM 1024 CA SER A 69 -4.959 -12.015 -9.048 1.00 0.00 C ATOM 1025 C SER A 69 -5.032 -11.136 -10.304 1.00 0.00 C ATOM 1026 O SER A 69 -5.198 -9.918 -10.187 1.00 0.00 O ATOM 1027 CB SER A 69 -6.217 -12.859 -8.778 1.00 0.00 C ATOM 1028 OG SER A 69 -5.896 -13.899 -7.871 1.00 0.00 O ATOM 0 H SER A 69 -5.165 -10.187 -8.075 1.00 0.00 H new ATOM 0 HA SER A 69 -4.142 -12.721 -9.197 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.008 -12.232 -8.366 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.595 -13.278 -9.711 1.00 0.00 H new ATOM 0 HG SER A 69 -5.102 -13.649 -7.354 1.00 0.00 H new ATOM 1034 N ARG A 70 -4.868 -11.690 -11.511 1.00 0.00 N ATOM 1035 CA ARG A 70 -4.713 -10.866 -12.722 1.00 0.00 C ATOM 1036 C ARG A 70 -5.934 -9.981 -12.987 1.00 0.00 C ATOM 1037 O ARG A 70 -5.768 -8.841 -13.422 1.00 0.00 O ATOM 1038 CB ARG A 70 -4.346 -11.752 -13.927 1.00 0.00 C ATOM 1039 CG ARG A 70 -3.957 -10.927 -15.167 1.00 0.00 C ATOM 1040 CD ARG A 70 -3.377 -11.832 -16.260 1.00 0.00 C ATOM 1041 NE ARG A 70 -3.096 -11.082 -17.497 1.00 0.00 N ATOM 1042 CZ ARG A 70 -2.516 -11.571 -18.599 1.00 0.00 C ATOM 1043 NH1 ARG A 70 -2.037 -12.812 -18.637 1.00 0.00 N ATOM 1044 NH2 ARG A 70 -2.433 -10.784 -19.662 1.00 0.00 N ATOM 0 H ARG A 70 -4.839 -12.696 -11.678 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.887 -10.174 -12.556 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.517 -12.406 -13.655 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.191 -12.395 -14.172 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.832 -10.402 -15.549 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.225 -10.168 -14.890 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.459 -12.296 -15.899 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.078 -12.638 -16.475 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.369 -10.099 -17.515 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.108 -13.412 -17.815 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.599 -13.164 -19.488 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.806 -9.835 -19.624 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.996 -11.127 -20.518 1.00 0.00 H new ATOM 1058 N ARG A 71 -7.145 -10.455 -12.667 1.00 0.00 N ATOM 1059 CA ARG A 71 -8.354 -9.630 -12.736 1.00 0.00 C ATOM 1060 C ARG A 71 -8.204 -8.393 -11.856 1.00 0.00 C ATOM 1061 O ARG A 71 -8.471 -7.288 -12.326 1.00 0.00 O ATOM 1062 CB ARG A 71 -9.583 -10.480 -12.357 1.00 0.00 C ATOM 1063 CG ARG A 71 -10.916 -9.714 -12.274 1.00 0.00 C ATOM 1064 CD ARG A 71 -11.305 -9.006 -13.578 1.00 0.00 C ATOM 1065 NE ARG A 71 -11.565 -9.952 -14.679 1.00 0.00 N ATOM 1066 CZ ARG A 71 -11.877 -9.616 -15.938 1.00 0.00 C ATOM 1067 NH1 ARG A 71 -11.971 -8.337 -16.296 1.00 0.00 N ATOM 1068 NH2 ARG A 71 -12.072 -10.567 -16.845 1.00 0.00 N ATOM 0 H ARG A 71 -7.312 -11.412 -12.356 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.502 -9.274 -13.756 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -9.689 -11.281 -13.088 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.394 -10.952 -11.393 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -11.708 -10.411 -11.999 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -10.851 -8.975 -11.476 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -12.194 -8.400 -13.407 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.506 -8.325 -13.870 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.502 -10.947 -14.464 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.805 -7.602 -15.609 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.209 -8.093 -17.257 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.984 -11.549 -16.582 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.310 -10.316 -17.805 1.00 0.00 H new ATOM 1082 N LEU A 72 -7.741 -8.556 -10.611 1.00 0.00 N ATOM 1083 CA LEU A 72 -7.466 -7.420 -9.737 1.00 0.00 C ATOM 1084 C LEU A 72 -6.404 -6.539 -10.374 1.00 0.00 C ATOM 1085 O LEU A 72 -6.598 -5.332 -10.422 1.00 0.00 O ATOM 1086 CB LEU A 72 -7.022 -7.850 -8.323 1.00 0.00 C ATOM 1087 CG LEU A 72 -8.191 -7.907 -7.331 1.00 0.00 C ATOM 1088 CD1 LEU A 72 -9.170 -9.045 -7.644 1.00 0.00 C ATOM 1089 CD2 LEU A 72 -7.669 -8.062 -5.898 1.00 0.00 C ATOM 0 H LEU A 72 -7.550 -9.465 -10.190 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.396 -6.864 -9.618 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.548 -8.830 -8.377 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.270 -7.152 -7.954 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.733 -6.966 -7.429 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.978 -9.041 -6.913 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.584 -8.905 -8.643 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.645 -9.999 -7.599 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.511 -8.101 -5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.091 -8.983 -5.819 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.033 -7.212 -5.648 1.00 0.00 H new ATOM 1101 N CYS A 73 -5.321 -7.112 -10.904 1.00 0.00 N ATOM 1102 CA CYS A 73 -4.227 -6.310 -11.439 1.00 0.00 C ATOM 1103 C CYS A 73 -4.702 -5.326 -12.519 1.00 0.00 C ATOM 1104 O CYS A 73 -4.227 -4.192 -12.550 1.00 0.00 O ATOM 1105 CB CYS A 73 -3.113 -7.197 -12.013 1.00 0.00 C ATOM 1106 SG CYS A 73 -2.448 -8.338 -10.767 1.00 0.00 S ATOM 0 H CYS A 73 -5.182 -8.120 -10.972 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.833 -5.735 -10.601 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.501 -7.767 -12.857 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.309 -6.568 -12.396 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.401 -9.108 -10.331 1.00 0.00 H new ATOM 1112 N ARG A 74 -5.642 -5.728 -13.388 1.00 0.00 N ATOM 1113 CA ARG A 74 -6.165 -4.836 -14.428 1.00 0.00 C ATOM 1114 C ARG A 74 -7.327 -3.956 -13.950 1.00 0.00 C ATOM 1115 O ARG A 74 -7.648 -2.977 -14.623 1.00 0.00 O ATOM 1116 CB ARG A 74 -6.521 -5.623 -15.700 1.00 0.00 C ATOM 1117 CG ARG A 74 -7.722 -6.577 -15.569 1.00 0.00 C ATOM 1118 CD ARG A 74 -8.146 -7.135 -16.934 1.00 0.00 C ATOM 1119 NE ARG A 74 -7.103 -7.982 -17.544 1.00 0.00 N ATOM 1120 CZ ARG A 74 -7.170 -9.298 -17.779 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -8.236 -10.013 -17.427 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -6.149 -9.899 -18.374 1.00 0.00 N ATOM 0 H ARG A 74 -6.053 -6.662 -13.390 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.361 -4.142 -14.674 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.728 -4.913 -16.501 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.649 -6.202 -16.005 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.464 -7.400 -14.902 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.560 -6.049 -15.114 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.060 -7.717 -16.818 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -8.377 -6.308 -17.605 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.238 -7.514 -17.816 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.025 -9.559 -16.967 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.264 -11.015 -17.617 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.327 -9.359 -18.646 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.185 -10.901 -18.560 1.00 0.00 H new ATOM 1136 N ASN A 75 -7.979 -4.291 -12.831 1.00 0.00 N ATOM 1137 CA ASN A 75 -9.158 -3.572 -12.343 1.00 0.00 C ATOM 1138 C ASN A 75 -8.835 -2.150 -11.863 1.00 0.00 C ATOM 1139 O ASN A 75 -9.715 -1.289 -11.878 1.00 0.00 O ATOM 1140 CB ASN A 75 -9.832 -4.365 -11.213 1.00 0.00 C ATOM 1141 CG ASN A 75 -11.090 -3.661 -10.711 1.00 0.00 C ATOM 1142 OD1 ASN A 75 -12.118 -3.656 -11.383 1.00 0.00 O ATOM 1143 ND2 ASN A 75 -11.050 -3.066 -9.529 1.00 0.00 N ATOM 0 H ASN A 75 -7.701 -5.072 -12.237 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.840 -3.476 -13.188 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -10.089 -5.362 -11.570 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.131 -4.493 -10.388 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.879 -2.596 -9.166 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.190 -3.078 -8.981 1.00 0.00 H new ATOM 1150 N TYR A 76 -7.589 -1.894 -11.453 1.00 0.00 N ATOM 1151 CA TYR A 76 -7.169 -0.602 -10.907 1.00 0.00 C ATOM 1152 C TYR A 76 -6.096 -0.018 -11.827 1.00 0.00 C ATOM 1153 O TYR A 76 -5.450 -0.754 -12.578 1.00 0.00 O ATOM 1154 CB TYR A 76 -6.665 -0.761 -9.462 1.00 0.00 C ATOM 1155 CG TYR A 76 -7.616 -1.490 -8.524 1.00 0.00 C ATOM 1156 CD1 TYR A 76 -7.671 -2.891 -8.551 1.00 0.00 C ATOM 1157 CD2 TYR A 76 -8.362 -0.799 -7.555 1.00 0.00 C ATOM 1158 CE1 TYR A 76 -8.509 -3.602 -7.680 1.00 0.00 C ATOM 1159 CE2 TYR A 76 -9.216 -1.493 -6.680 1.00 0.00 C ATOM 1160 CZ TYR A 76 -9.299 -2.904 -6.740 1.00 0.00 C ATOM 1161 OH TYR A 76 -10.123 -3.598 -5.914 1.00 0.00 O ATOM 0 H TYR A 76 -6.838 -2.584 -11.491 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.014 0.085 -10.867 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.716 -1.297 -9.481 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.463 0.229 -9.053 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.057 -3.432 -9.255 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -8.279 0.275 -7.481 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.550 -4.680 -7.728 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -9.810 -0.948 -5.961 1.00 0.00 H new ATOM 0 HH TYR A 76 -10.744 -2.979 -5.476 1.00 0.00 H new ATOM 1171 N ASP A 77 -5.912 1.303 -11.802 1.00 0.00 N ATOM 1172 CA ASP A 77 -5.073 1.985 -12.790 1.00 0.00 C ATOM 1173 C ASP A 77 -3.591 1.924 -12.412 1.00 0.00 C ATOM 1174 O ASP A 77 -2.725 2.044 -13.279 1.00 0.00 O ATOM 1175 CB ASP A 77 -5.520 3.441 -12.955 1.00 0.00 C ATOM 1176 CG ASP A 77 -4.837 4.083 -14.174 1.00 0.00 C ATOM 1177 OD1 ASP A 77 -5.146 3.682 -15.321 1.00 0.00 O ATOM 1178 OD2 ASP A 77 -4.025 5.015 -13.998 1.00 0.00 O ATOM 0 H ASP A 77 -6.332 1.922 -11.109 1.00 0.00 H new ATOM 0 HA ASP A 77 -5.194 1.465 -13.740 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.603 3.483 -13.074 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.276 4.006 -12.055 1.00 0.00 H new ATOM 1183 N LEU A 78 -3.294 1.710 -11.125 1.00 0.00 N ATOM 1184 CA LEU A 78 -1.946 1.690 -10.571 1.00 0.00 C ATOM 1185 C LEU A 78 -1.950 0.705 -9.405 1.00 0.00 C ATOM 1186 O LEU A 78 -2.769 0.833 -8.489 1.00 0.00 O ATOM 1187 CB LEU A 78 -1.586 3.134 -10.162 1.00 0.00 C ATOM 1188 CG LEU A 78 -0.180 3.427 -9.594 1.00 0.00 C ATOM 1189 CD1 LEU A 78 -0.064 3.105 -8.103 1.00 0.00 C ATOM 1190 CD2 LEU A 78 0.939 2.729 -10.371 1.00 0.00 C ATOM 0 H LEU A 78 -4.013 1.541 -10.422 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.188 1.358 -11.280 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.725 3.768 -11.038 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.314 3.456 -9.418 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.050 4.502 -9.719 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.946 3.331 -7.759 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.781 3.707 -7.544 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.274 2.048 -7.942 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.902 2.975 -9.922 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.788 1.650 -10.337 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.926 3.064 -11.408 1.00 0.00 H new ATOM 1202 N ILE A 79 -1.048 -0.279 -9.451 1.00 0.00 N ATOM 1203 CA ILE A 79 -0.821 -1.198 -8.338 1.00 0.00 C ATOM 1204 C ILE A 79 0.424 -0.655 -7.630 1.00 0.00 C ATOM 1205 O ILE A 79 1.400 -0.270 -8.283 1.00 0.00 O ATOM 1206 CB ILE A 79 -0.718 -2.662 -8.848 1.00 0.00 C ATOM 1207 CG1 ILE A 79 -2.087 -3.382 -8.859 1.00 0.00 C ATOM 1208 CG2 ILE A 79 0.207 -3.533 -7.980 1.00 0.00 C ATOM 1209 CD1 ILE A 79 -3.199 -2.716 -9.674 1.00 0.00 C ATOM 0 H ILE A 79 -0.456 -0.459 -10.262 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.644 -1.245 -7.624 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.319 -2.560 -9.857 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.939 -4.391 -9.243 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.430 -3.480 -7.829 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.240 -4.545 -8.385 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.211 -3.110 -7.980 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.174 -3.563 -6.959 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.108 -3.313 -9.605 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.390 -1.717 -9.281 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.892 -2.643 -10.717 1.00 0.00 H new ATOM 1221 N LEU A 80 0.387 -0.625 -6.300 1.00 0.00 N ATOM 1222 CA LEU A 80 1.365 0.057 -5.459 1.00 0.00 C ATOM 1223 C LEU A 80 1.872 -0.906 -4.390 1.00 0.00 C ATOM 1224 O LEU A 80 1.077 -1.666 -3.845 1.00 0.00 O ATOM 1225 CB LEU A 80 0.635 1.272 -4.857 1.00 0.00 C ATOM 1226 CG LEU A 80 1.453 2.192 -3.940 1.00 0.00 C ATOM 1227 CD1 LEU A 80 2.793 2.613 -4.545 1.00 0.00 C ATOM 1228 CD2 LEU A 80 0.631 3.456 -3.655 1.00 0.00 C ATOM 0 H LEU A 80 -0.346 -1.088 -5.763 1.00 0.00 H new ATOM 0 HA LEU A 80 2.241 0.391 -6.015 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.244 1.873 -5.678 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.223 0.906 -4.292 1.00 0.00 H new ATOM 0 HG LEU A 80 1.669 1.630 -3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.320 3.262 -3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.397 1.727 -4.744 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.619 3.150 -5.477 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.199 4.120 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.412 3.967 -4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.303 3.180 -3.166 1.00 0.00 H new ATOM 1240 N THR A 81 3.166 -0.897 -4.075 1.00 0.00 N ATOM 1241 CA THR A 81 3.752 -1.839 -3.122 1.00 0.00 C ATOM 1242 C THR A 81 4.872 -1.153 -2.318 1.00 0.00 C ATOM 1243 O THR A 81 4.968 0.077 -2.330 1.00 0.00 O ATOM 1244 CB THR A 81 4.152 -3.118 -3.885 1.00 0.00 C ATOM 1245 OG1 THR A 81 4.463 -4.143 -2.968 1.00 0.00 O ATOM 1246 CG2 THR A 81 5.317 -2.930 -4.867 1.00 0.00 C ATOM 0 H THR A 81 3.836 -0.239 -4.472 1.00 0.00 H new ATOM 0 HA THR A 81 3.038 -2.156 -2.362 1.00 0.00 H new ATOM 0 HB THR A 81 3.288 -3.388 -4.492 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.654 -4.401 -2.479 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.533 -3.877 -5.361 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.046 -2.185 -5.615 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.200 -2.594 -4.324 1.00 0.00 H new ATOM 1254 N MET A 82 5.692 -1.911 -1.577 1.00 0.00 N ATOM 1255 CA MET A 82 6.640 -1.351 -0.606 1.00 0.00 C ATOM 1256 C MET A 82 8.081 -1.839 -0.800 1.00 0.00 C ATOM 1257 O MET A 82 8.987 -1.273 -0.185 1.00 0.00 O ATOM 1258 CB MET A 82 6.164 -1.712 0.815 1.00 0.00 C ATOM 1259 CG MET A 82 5.058 -0.791 1.342 1.00 0.00 C ATOM 1260 SD MET A 82 3.428 -1.040 0.593 1.00 0.00 S ATOM 1261 CE MET A 82 2.494 0.226 1.474 1.00 0.00 C ATOM 0 H MET A 82 5.716 -2.929 -1.634 1.00 0.00 H new ATOM 0 HA MET A 82 6.657 -0.272 -0.761 1.00 0.00 H new ATOM 0 HB2 MET A 82 5.802 -2.740 0.818 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.014 -1.672 1.496 1.00 0.00 H new ATOM 0 HG2 MET A 82 4.971 -0.933 2.419 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.361 0.244 1.180 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.547 0.401 0.963 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.300 -0.108 2.493 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.069 1.151 1.499 1.00 0.00 H new ATOM 1271 N GLU A 83 8.322 -2.866 -1.624 1.00 0.00 N ATOM 1272 CA GLU A 83 9.660 -3.421 -1.817 1.00 0.00 C ATOM 1273 C GLU A 83 9.869 -3.755 -3.289 1.00 0.00 C ATOM 1274 O GLU A 83 8.936 -4.172 -3.977 1.00 0.00 O ATOM 1275 CB GLU A 83 9.858 -4.683 -0.964 1.00 0.00 C ATOM 1276 CG GLU A 83 9.805 -4.430 0.550 1.00 0.00 C ATOM 1277 CD GLU A 83 10.202 -5.685 1.338 1.00 0.00 C ATOM 1278 OE1 GLU A 83 11.332 -6.192 1.172 1.00 0.00 O ATOM 1279 OE2 GLU A 83 9.376 -6.201 2.125 1.00 0.00 O ATOM 0 H GLU A 83 7.597 -3.331 -2.171 1.00 0.00 H new ATOM 0 HA GLU A 83 10.392 -2.676 -1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.090 -5.411 -1.227 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.820 -5.130 -1.214 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.474 -3.609 0.808 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.799 -4.122 0.835 1.00 0.00 H new ATOM 1286 N LYS A 84 11.106 -3.634 -3.772 1.00 0.00 N ATOM 1287 CA LYS A 84 11.442 -3.904 -5.169 1.00 0.00 C ATOM 1288 C LYS A 84 11.235 -5.380 -5.495 1.00 0.00 C ATOM 1289 O LYS A 84 10.761 -5.694 -6.584 1.00 0.00 O ATOM 1290 CB LYS A 84 12.888 -3.474 -5.463 1.00 0.00 C ATOM 1291 CG LYS A 84 13.096 -1.962 -5.272 1.00 0.00 C ATOM 1292 CD LYS A 84 14.555 -1.565 -5.529 1.00 0.00 C ATOM 1293 CE LYS A 84 14.740 -0.067 -5.253 1.00 0.00 C ATOM 1294 NZ LYS A 84 16.145 0.374 -5.439 1.00 0.00 N ATOM 0 H LYS A 84 11.903 -3.346 -3.205 1.00 0.00 H new ATOM 0 HA LYS A 84 10.776 -3.322 -5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 84 13.567 -4.018 -4.807 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.146 -3.748 -6.486 1.00 0.00 H new ATOM 0 HG2 LYS A 84 12.442 -1.414 -5.951 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.813 -1.679 -4.258 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.218 -2.147 -4.889 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.827 -1.791 -6.560 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.092 0.505 -5.917 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.425 0.153 -4.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 16.218 1.392 -5.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.763 -0.151 -4.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.440 0.190 -6.419 1.00 0.00 H new ATOM 1308 N ARG A 85 11.498 -6.291 -4.549 1.00 0.00 N ATOM 1309 CA ARG A 85 11.162 -7.705 -4.727 1.00 0.00 C ATOM 1310 C ARG A 85 9.673 -7.887 -5.020 1.00 0.00 C ATOM 1311 O ARG A 85 9.331 -8.733 -5.840 1.00 0.00 O ATOM 1312 CB ARG A 85 11.636 -8.569 -3.537 1.00 0.00 C ATOM 1313 CG ARG A 85 11.065 -8.168 -2.164 1.00 0.00 C ATOM 1314 CD ARG A 85 11.434 -9.183 -1.075 1.00 0.00 C ATOM 1315 NE ARG A 85 10.861 -8.779 0.221 1.00 0.00 N ATOM 1316 CZ ARG A 85 10.198 -9.539 1.099 1.00 0.00 C ATOM 1317 NH1 ARG A 85 10.085 -10.854 0.923 1.00 0.00 N ATOM 1318 NH2 ARG A 85 9.633 -8.961 2.151 1.00 0.00 N ATOM 0 H ARG A 85 11.941 -6.073 -3.656 1.00 0.00 H new ATOM 0 HA ARG A 85 11.708 -8.063 -5.600 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.369 -9.607 -3.734 1.00 0.00 H new ATOM 0 HB3 ARG A 85 12.724 -8.524 -3.487 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.443 -7.184 -1.887 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.980 -8.086 -2.232 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.065 -10.171 -1.350 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.518 -9.259 -0.992 1.00 0.00 H new ATOM 0 HE ARG A 85 10.985 -7.800 0.480 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.508 -11.298 0.108 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.575 -11.418 1.603 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.708 -7.952 2.280 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.123 -9.526 2.831 1.00 0.00 H new ATOM 1332 N HIS A 86 8.786 -7.096 -4.413 1.00 0.00 N ATOM 1333 CA HIS A 86 7.358 -7.220 -4.677 1.00 0.00 C ATOM 1334 C HIS A 86 7.064 -6.719 -6.088 1.00 0.00 C ATOM 1335 O HIS A 86 6.300 -7.373 -6.792 1.00 0.00 O ATOM 1336 CB HIS A 86 6.518 -6.464 -3.639 1.00 0.00 C ATOM 1337 CG HIS A 86 6.713 -6.879 -2.198 1.00 0.00 C ATOM 1338 ND1 HIS A 86 7.169 -8.090 -1.722 1.00 0.00 N ATOM 1339 CD2 HIS A 86 6.421 -6.109 -1.104 1.00 0.00 C ATOM 1340 CE1 HIS A 86 7.172 -8.035 -0.379 1.00 0.00 C ATOM 1341 NE2 HIS A 86 6.721 -6.842 0.050 1.00 0.00 N ATOM 0 H HIS A 86 9.032 -6.369 -3.741 1.00 0.00 H new ATOM 0 HA HIS A 86 7.080 -8.271 -4.599 1.00 0.00 H new ATOM 0 HB2 HIS A 86 6.743 -5.401 -3.724 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.465 -6.588 -3.893 1.00 0.00 H new ATOM 0 HD1 HIS A 86 7.454 -8.888 -2.290 1.00 0.00 H new ATOM 0 HD2 HIS A 86 6.025 -5.104 -1.128 1.00 0.00 H new ATOM 0 HE1 HIS A 86 7.493 -8.839 0.267 1.00 0.00 H new ATOM 1349 N ILE A 87 7.699 -5.626 -6.539 1.00 0.00 N ATOM 1350 CA ILE A 87 7.556 -5.152 -7.918 1.00 0.00 C ATOM 1351 C ILE A 87 7.910 -6.305 -8.861 1.00 0.00 C ATOM 1352 O ILE A 87 7.118 -6.618 -9.748 1.00 0.00 O ATOM 1353 CB ILE A 87 8.419 -3.892 -8.203 1.00 0.00 C ATOM 1354 CG1 ILE A 87 8.155 -2.756 -7.188 1.00 0.00 C ATOM 1355 CG2 ILE A 87 8.184 -3.379 -9.639 1.00 0.00 C ATOM 1356 CD1 ILE A 87 9.032 -1.517 -7.398 1.00 0.00 C ATOM 0 H ILE A 87 8.318 -5.054 -5.964 1.00 0.00 H new ATOM 0 HA ILE A 87 6.524 -4.842 -8.083 1.00 0.00 H new ATOM 0 HB ILE A 87 9.460 -4.196 -8.095 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.107 -2.462 -7.252 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.318 -3.138 -6.180 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.799 -2.496 -9.815 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.454 -4.158 -10.352 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.133 -3.120 -9.765 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.787 -0.766 -6.647 1.00 0.00 H new ATOM 0 HD12 ILE A 87 10.082 -1.794 -7.304 1.00 0.00 H new ATOM 0 HD13 ILE A 87 8.852 -1.108 -8.392 1.00 0.00 H new ATOM 1368 N GLU A 88 9.050 -6.969 -8.645 1.00 0.00 N ATOM 1369 CA GLU A 88 9.500 -8.036 -9.534 1.00 0.00 C ATOM 1370 C GLU A 88 8.479 -9.175 -9.582 1.00 0.00 C ATOM 1371 O GLU A 88 8.059 -9.593 -10.663 1.00 0.00 O ATOM 1372 CB GLU A 88 10.837 -8.629 -9.078 1.00 0.00 C ATOM 1373 CG GLU A 88 12.080 -7.741 -9.192 1.00 0.00 C ATOM 1374 CD GLU A 88 13.359 -8.473 -8.725 1.00 0.00 C ATOM 1375 OE1 GLU A 88 13.319 -9.690 -8.419 1.00 0.00 O ATOM 1376 OE2 GLU A 88 14.431 -7.824 -8.675 1.00 0.00 O ATOM 0 H GLU A 88 9.676 -6.784 -7.861 1.00 0.00 H new ATOM 0 HA GLU A 88 9.616 -7.585 -10.520 1.00 0.00 H new ATOM 0 HB2 GLU A 88 10.733 -8.930 -8.036 1.00 0.00 H new ATOM 0 HB3 GLU A 88 11.017 -9.536 -9.655 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.203 -7.420 -10.227 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.939 -6.841 -8.594 1.00 0.00 H new ATOM 1383 N ARG A 89 8.067 -9.689 -8.417 1.00 0.00 N ATOM 1384 CA ARG A 89 7.192 -10.859 -8.364 1.00 0.00 C ATOM 1385 C ARG A 89 5.820 -10.523 -8.950 1.00 0.00 C ATOM 1386 O ARG A 89 5.218 -11.365 -9.612 1.00 0.00 O ATOM 1387 CB ARG A 89 7.065 -11.413 -6.941 1.00 0.00 C ATOM 1388 CG ARG A 89 8.386 -11.883 -6.316 1.00 0.00 C ATOM 1389 CD ARG A 89 9.098 -13.094 -6.943 1.00 0.00 C ATOM 1390 NE ARG A 89 9.914 -12.772 -8.132 1.00 0.00 N ATOM 1391 CZ ARG A 89 11.052 -12.065 -8.173 1.00 0.00 C ATOM 1392 NH1 ARG A 89 11.562 -11.468 -7.101 1.00 0.00 N ATOM 1393 NH2 ARG A 89 11.715 -11.924 -9.309 1.00 0.00 N ATOM 0 H ARG A 89 8.325 -9.313 -7.505 1.00 0.00 H new ATOM 0 HA ARG A 89 7.646 -11.643 -8.970 1.00 0.00 H new ATOM 0 HB2 ARG A 89 6.631 -10.643 -6.303 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.366 -12.249 -6.952 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.080 -11.043 -6.334 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.194 -12.115 -5.268 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.739 -13.553 -6.191 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.350 -13.837 -7.221 1.00 0.00 H new ATOM 0 HE ARG A 89 9.572 -13.129 -9.024 1.00 0.00 H new ATOM 0 HH11 ARG A 89 11.084 -11.538 -6.202 1.00 0.00 H new ATOM 0 HH12 ARG A 89 12.431 -10.939 -7.177 1.00 0.00 H new ATOM 0 HH21 ARG A 89 11.361 -12.355 -10.163 1.00 0.00 H new ATOM 0 HH22 ARG A 89 12.580 -11.384 -9.331 1.00 0.00 H new ATOM 1407 N LEU A 90 5.323 -9.299 -8.751 1.00 0.00 N ATOM 1408 CA LEU A 90 4.039 -8.876 -9.302 1.00 0.00 C ATOM 1409 C LEU A 90 4.127 -8.706 -10.818 1.00 0.00 C ATOM 1410 O LEU A 90 3.186 -9.084 -11.516 1.00 0.00 O ATOM 1411 CB LEU A 90 3.556 -7.581 -8.628 1.00 0.00 C ATOM 1412 CG LEU A 90 3.175 -7.765 -7.143 1.00 0.00 C ATOM 1413 CD1 LEU A 90 2.883 -6.404 -6.502 1.00 0.00 C ATOM 1414 CD2 LEU A 90 1.973 -8.695 -6.961 1.00 0.00 C ATOM 0 H LEU A 90 5.798 -8.580 -8.206 1.00 0.00 H new ATOM 0 HA LEU A 90 3.307 -9.656 -9.095 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.340 -6.827 -8.703 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.692 -7.198 -9.172 1.00 0.00 H new ATOM 0 HG LEU A 90 4.026 -8.232 -6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.615 -6.545 -5.455 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.769 -5.773 -6.568 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.056 -5.925 -7.026 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.745 -8.792 -5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.110 -8.280 -7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.207 -9.677 -7.373 1.00 0.00 H new ATOM 1426 N CYS A 91 5.249 -8.204 -11.346 1.00 0.00 N ATOM 1427 CA CYS A 91 5.467 -8.151 -12.788 1.00 0.00 C ATOM 1428 C CYS A 91 5.473 -9.565 -13.385 1.00 0.00 C ATOM 1429 O CYS A 91 4.956 -9.765 -14.482 1.00 0.00 O ATOM 1430 CB CYS A 91 6.784 -7.431 -13.113 1.00 0.00 C ATOM 1431 SG CYS A 91 6.696 -5.673 -12.653 1.00 0.00 S ATOM 0 H CYS A 91 6.019 -7.829 -10.792 1.00 0.00 H new ATOM 0 HA CYS A 91 4.647 -7.588 -13.234 1.00 0.00 H new ATOM 0 HB2 CYS A 91 7.605 -7.910 -12.580 1.00 0.00 H new ATOM 0 HB3 CYS A 91 6.999 -7.522 -14.178 1.00 0.00 H new ATOM 0 HG CYS A 91 6.837 -5.554 -11.366 1.00 0.00 H new ATOM 1437 N GLU A 92 6.033 -10.549 -12.675 1.00 0.00 N ATOM 1438 CA GLU A 92 6.035 -11.940 -13.111 1.00 0.00 C ATOM 1439 C GLU A 92 4.623 -12.542 -13.058 1.00 0.00 C ATOM 1440 O GLU A 92 4.242 -13.276 -13.974 1.00 0.00 O ATOM 1441 CB GLU A 92 7.014 -12.756 -12.253 1.00 0.00 C ATOM 1442 CG GLU A 92 8.478 -12.433 -12.595 1.00 0.00 C ATOM 1443 CD GLU A 92 9.495 -13.022 -11.600 1.00 0.00 C ATOM 1444 OE1 GLU A 92 9.124 -13.728 -10.637 1.00 0.00 O ATOM 1445 OE2 GLU A 92 10.707 -12.750 -11.752 1.00 0.00 O ATOM 0 H GLU A 92 6.498 -10.398 -11.780 1.00 0.00 H new ATOM 0 HA GLU A 92 6.365 -11.976 -14.149 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.833 -12.549 -11.198 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.831 -13.820 -12.405 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.700 -12.811 -13.593 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.603 -11.351 -12.629 1.00 0.00 H new ATOM 1452 N MET A 93 3.829 -12.225 -12.024 1.00 0.00 N ATOM 1453 CA MET A 93 2.446 -12.696 -11.919 1.00 0.00 C ATOM 1454 C MET A 93 1.569 -12.120 -13.033 1.00 0.00 C ATOM 1455 O MET A 93 0.712 -12.831 -13.562 1.00 0.00 O ATOM 1456 CB MET A 93 1.828 -12.308 -10.565 1.00 0.00 C ATOM 1457 CG MET A 93 2.289 -13.208 -9.416 1.00 0.00 C ATOM 1458 SD MET A 93 1.520 -12.835 -7.812 1.00 0.00 S ATOM 1459 CE MET A 93 -0.226 -13.212 -8.152 1.00 0.00 C ATOM 0 H MET A 93 4.128 -11.639 -11.244 1.00 0.00 H new ATOM 0 HA MET A 93 2.481 -13.782 -12.011 1.00 0.00 H new ATOM 0 HB2 MET A 93 2.088 -11.275 -10.336 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.742 -12.354 -10.641 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.075 -14.245 -9.675 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.371 -13.122 -9.315 1.00 0.00 H new ATOM 0 HE1 MET A 93 -0.771 -13.289 -7.211 1.00 0.00 H new ATOM 0 HE2 MET A 93 -0.659 -12.416 -8.758 1.00 0.00 H new ATOM 0 HE3 MET A 93 -0.296 -14.157 -8.691 1.00 0.00 H new ATOM 1469 N ALA A 94 1.772 -10.846 -13.380 1.00 0.00 N ATOM 1470 CA ALA A 94 0.926 -10.129 -14.321 1.00 0.00 C ATOM 1471 C ALA A 94 1.827 -9.318 -15.257 1.00 0.00 C ATOM 1472 O ALA A 94 2.072 -8.139 -14.986 1.00 0.00 O ATOM 1473 CB ALA A 94 -0.076 -9.250 -13.554 1.00 0.00 C ATOM 0 H ALA A 94 2.537 -10.283 -13.009 1.00 0.00 H new ATOM 0 HA ALA A 94 0.338 -10.818 -14.927 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.708 -8.715 -14.263 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.698 -9.879 -12.917 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.466 -8.533 -12.938 1.00 0.00 H new ATOM 1479 N PRO A 95 2.319 -9.905 -16.366 1.00 0.00 N ATOM 1480 CA PRO A 95 3.158 -9.185 -17.319 1.00 0.00 C ATOM 1481 C PRO A 95 2.403 -8.014 -17.964 1.00 0.00 C ATOM 1482 O PRO A 95 3.019 -7.024 -18.349 1.00 0.00 O ATOM 1483 CB PRO A 95 3.639 -10.225 -18.334 1.00 0.00 C ATOM 1484 CG PRO A 95 2.587 -11.331 -18.252 1.00 0.00 C ATOM 1485 CD PRO A 95 2.132 -11.286 -16.794 1.00 0.00 C ATOM 0 HA PRO A 95 4.013 -8.719 -16.830 1.00 0.00 H new ATOM 0 HB2 PRO A 95 3.700 -9.805 -19.338 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.632 -10.598 -18.084 1.00 0.00 H new ATOM 0 HG2 PRO A 95 1.759 -11.148 -18.936 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.006 -12.303 -18.511 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.089 -11.587 -16.700 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.718 -11.969 -16.179 1.00 0.00 H new ATOM 1493 N GLU A 96 1.068 -8.078 -18.004 1.00 0.00 N ATOM 1494 CA GLU A 96 0.201 -6.966 -18.389 1.00 0.00 C ATOM 1495 C GLU A 96 0.456 -5.698 -17.554 1.00 0.00 C ATOM 1496 O GLU A 96 0.290 -4.583 -18.052 1.00 0.00 O ATOM 1497 CB GLU A 96 -1.230 -7.501 -18.219 1.00 0.00 C ATOM 1498 CG GLU A 96 -2.364 -6.605 -18.732 1.00 0.00 C ATOM 1499 CD GLU A 96 -3.730 -7.316 -18.649 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -3.783 -8.568 -18.717 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -4.776 -6.643 -18.524 1.00 0.00 O ATOM 0 H GLU A 96 0.552 -8.924 -17.764 1.00 0.00 H new ATOM 0 HA GLU A 96 0.393 -6.647 -19.413 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.297 -8.462 -18.730 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -1.399 -7.691 -17.159 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -2.395 -5.686 -18.147 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -2.164 -6.319 -19.765 1.00 0.00 H new ATOM 1508 N MET A 97 0.917 -5.855 -16.308 1.00 0.00 N ATOM 1509 CA MET A 97 1.203 -4.781 -15.369 1.00 0.00 C ATOM 1510 C MET A 97 2.719 -4.564 -15.206 1.00 0.00 C ATOM 1511 O MET A 97 3.138 -3.763 -14.368 1.00 0.00 O ATOM 1512 CB MET A 97 0.507 -5.127 -14.038 1.00 0.00 C ATOM 1513 CG MET A 97 0.142 -3.885 -13.224 1.00 0.00 C ATOM 1514 SD MET A 97 -1.088 -2.814 -14.025 1.00 0.00 S ATOM 1515 CE MET A 97 -1.061 -1.374 -12.926 1.00 0.00 C ATOM 0 H MET A 97 1.107 -6.777 -15.916 1.00 0.00 H new ATOM 0 HA MET A 97 0.815 -3.833 -15.743 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.397 -5.701 -14.243 1.00 0.00 H new ATOM 0 HB3 MET A 97 1.162 -5.766 -13.445 1.00 0.00 H new ATOM 0 HG2 MET A 97 -0.241 -4.199 -12.253 1.00 0.00 H new ATOM 0 HG3 MET A 97 1.047 -3.306 -13.037 1.00 0.00 H new ATOM 0 HE1 MET A 97 -2.028 -1.275 -12.433 1.00 0.00 H new ATOM 0 HE2 MET A 97 -0.282 -1.504 -12.175 1.00 0.00 H new ATOM 0 HE3 MET A 97 -0.857 -0.476 -13.508 1.00 0.00 H new ATOM 1525 N ARG A 98 3.564 -5.255 -15.984 1.00 0.00 N ATOM 1526 CA ARG A 98 5.019 -5.138 -15.880 1.00 0.00 C ATOM 1527 C ARG A 98 5.435 -3.683 -16.077 1.00 0.00 C ATOM 1528 O ARG A 98 5.006 -3.038 -17.035 1.00 0.00 O ATOM 1529 CB ARG A 98 5.696 -6.089 -16.879 1.00 0.00 C ATOM 1530 CG ARG A 98 7.234 -6.019 -16.869 1.00 0.00 C ATOM 1531 CD ARG A 98 7.855 -7.233 -17.575 1.00 0.00 C ATOM 1532 NE ARG A 98 7.399 -7.360 -18.974 1.00 0.00 N ATOM 1533 CZ ARG A 98 7.161 -8.503 -19.633 1.00 0.00 C ATOM 1534 NH1 ARG A 98 7.373 -9.683 -19.054 1.00 0.00 N ATOM 1535 NH2 ARG A 98 6.706 -8.459 -20.881 1.00 0.00 N ATOM 0 H ARG A 98 3.255 -5.910 -16.702 1.00 0.00 H new ATOM 0 HA ARG A 98 5.348 -5.436 -14.884 1.00 0.00 H new ATOM 0 HB2 ARG A 98 5.388 -7.111 -16.658 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.339 -5.859 -17.883 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.561 -5.103 -17.361 1.00 0.00 H new ATOM 0 HG3 ARG A 98 7.591 -5.973 -15.840 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.941 -7.146 -17.556 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.598 -8.140 -17.027 1.00 0.00 H new ATOM 0 HE ARG A 98 7.251 -6.493 -19.490 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.721 -9.726 -18.096 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.187 -10.544 -19.568 1.00 0.00 H new ATOM 0 HH21 ARG A 98 6.540 -7.559 -21.332 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.523 -9.325 -21.388 1.00 0.00 H new ATOM 1549 N GLY A 99 6.241 -3.161 -15.150 1.00 0.00 N ATOM 1550 CA GLY A 99 6.720 -1.782 -15.165 1.00 0.00 C ATOM 1551 C GLY A 99 5.673 -0.759 -14.703 1.00 0.00 C ATOM 1552 O GLY A 99 6.042 0.368 -14.371 1.00 0.00 O ATOM 0 H GLY A 99 6.584 -3.698 -14.353 1.00 0.00 H new ATOM 0 HA2 GLY A 99 7.598 -1.705 -14.524 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.041 -1.529 -16.176 1.00 0.00 H new ATOM 1556 N LYS A 100 4.384 -1.125 -14.641 1.00 0.00 N ATOM 1557 CA LYS A 100 3.323 -0.253 -14.132 1.00 0.00 C ATOM 1558 C LYS A 100 3.205 -0.367 -12.609 1.00 0.00 C ATOM 1559 O LYS A 100 2.616 0.514 -11.988 1.00 0.00 O ATOM 1560 CB LYS A 100 1.973 -0.599 -14.784 1.00 0.00 C ATOM 1561 CG LYS A 100 1.977 -0.583 -16.321 1.00 0.00 C ATOM 1562 CD LYS A 100 0.556 -0.836 -16.853 1.00 0.00 C ATOM 1563 CE LYS A 100 0.476 -0.855 -18.385 1.00 0.00 C ATOM 1564 NZ LYS A 100 1.143 -2.037 -18.991 1.00 0.00 N ATOM 0 H LYS A 100 4.050 -2.040 -14.945 1.00 0.00 H new ATOM 0 HA LYS A 100 3.587 0.773 -14.388 1.00 0.00 H new ATOM 0 HB2 LYS A 100 1.665 -1.588 -14.446 1.00 0.00 H new ATOM 0 HB3 LYS A 100 1.222 0.107 -14.429 1.00 0.00 H new ATOM 0 HG2 LYS A 100 2.344 0.378 -16.682 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.657 -1.346 -16.699 1.00 0.00 H new ATOM 0 HD2 LYS A 100 0.195 -1.789 -16.465 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.111 -0.063 -16.471 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.571 -0.842 -18.688 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.933 0.053 -18.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.968 -2.047 -20.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.167 -1.986 -18.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.761 -2.906 -18.567 1.00 0.00 H new ATOM 1578 N VAL A 101 3.744 -1.428 -12.003 1.00 0.00 N ATOM 1579 CA VAL A 101 3.822 -1.532 -10.550 1.00 0.00 C ATOM 1580 C VAL A 101 4.918 -0.561 -10.083 1.00 0.00 C ATOM 1581 O VAL A 101 5.964 -0.463 -10.731 1.00 0.00 O ATOM 1582 CB VAL A 101 4.112 -2.997 -10.150 1.00 0.00 C ATOM 1583 CG1 VAL A 101 4.234 -3.152 -8.627 1.00 0.00 C ATOM 1584 CG2 VAL A 101 3.015 -3.948 -10.659 1.00 0.00 C ATOM 0 H VAL A 101 4.133 -2.228 -12.501 1.00 0.00 H new ATOM 0 HA VAL A 101 2.882 -1.261 -10.069 1.00 0.00 H new ATOM 0 HB VAL A 101 5.062 -3.261 -10.615 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.438 -4.194 -8.383 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.049 -2.528 -8.262 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.301 -2.844 -8.154 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.251 -4.969 -10.360 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.055 -3.658 -10.232 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.961 -3.892 -11.746 1.00 0.00 H new ATOM 1594 N MET A 102 4.693 0.136 -8.965 1.00 0.00 N ATOM 1595 CA MET A 102 5.664 1.066 -8.373 1.00 0.00 C ATOM 1596 C MET A 102 5.548 0.995 -6.847 1.00 0.00 C ATOM 1597 O MET A 102 4.639 0.336 -6.336 1.00 0.00 O ATOM 1598 CB MET A 102 5.426 2.501 -8.888 1.00 0.00 C ATOM 1599 CG MET A 102 5.820 2.643 -10.363 1.00 0.00 C ATOM 1600 SD MET A 102 5.896 4.342 -10.997 1.00 0.00 S ATOM 1601 CE MET A 102 4.130 4.716 -11.155 1.00 0.00 C ATOM 0 H MET A 102 3.822 0.071 -8.438 1.00 0.00 H new ATOM 0 HA MET A 102 6.674 0.782 -8.667 1.00 0.00 H new ATOM 0 HB2 MET A 102 4.375 2.763 -8.764 1.00 0.00 H new ATOM 0 HB3 MET A 102 6.003 3.204 -8.287 1.00 0.00 H new ATOM 0 HG2 MET A 102 6.795 2.177 -10.506 1.00 0.00 H new ATOM 0 HG3 MET A 102 5.107 2.081 -10.966 1.00 0.00 H new ATOM 0 HE1 MET A 102 4.005 5.730 -11.535 1.00 0.00 H new ATOM 0 HE2 MET A 102 3.669 4.010 -11.846 1.00 0.00 H new ATOM 0 HE3 MET A 102 3.652 4.633 -10.179 1.00 0.00 H new ATOM 1611 N LEU A 103 6.462 1.649 -6.114 1.00 0.00 N ATOM 1612 CA LEU A 103 6.523 1.548 -4.653 1.00 0.00 C ATOM 1613 C LEU A 103 6.266 2.863 -3.921 1.00 0.00 C ATOM 1614 O LEU A 103 6.476 3.950 -4.459 1.00 0.00 O ATOM 1615 CB LEU A 103 7.822 0.874 -4.161 1.00 0.00 C ATOM 1616 CG LEU A 103 9.154 1.649 -4.221 1.00 0.00 C ATOM 1617 CD1 LEU A 103 10.268 0.739 -3.691 1.00 0.00 C ATOM 1618 CD2 LEU A 103 9.545 2.142 -5.616 1.00 0.00 C ATOM 0 H LEU A 103 7.174 2.258 -6.517 1.00 0.00 H new ATOM 0 HA LEU A 103 5.690 0.896 -4.391 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.663 0.579 -3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.952 -0.042 -4.737 1.00 0.00 H new ATOM 0 HG LEU A 103 9.017 2.543 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 103 11.219 1.270 -3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 103 10.048 0.456 -2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 103 10.330 -0.157 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 103 10.494 2.675 -5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 103 9.646 1.290 -6.288 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.774 2.813 -5.994 1.00 0.00 H new ATOM 1630 N PHE A 104 5.869 2.738 -2.653 1.00 0.00 N ATOM 1631 CA PHE A 104 5.655 3.862 -1.744 1.00 0.00 C ATOM 1632 C PHE A 104 6.854 4.809 -1.723 1.00 0.00 C ATOM 1633 O PHE A 104 6.688 6.020 -1.862 1.00 0.00 O ATOM 1634 CB PHE A 104 5.364 3.330 -0.328 1.00 0.00 C ATOM 1635 CG PHE A 104 3.943 3.557 0.137 1.00 0.00 C ATOM 1636 CD1 PHE A 104 2.867 3.073 -0.626 1.00 0.00 C ATOM 1637 CD2 PHE A 104 3.690 4.258 1.330 1.00 0.00 C ATOM 1638 CE1 PHE A 104 1.547 3.349 -0.236 1.00 0.00 C ATOM 1639 CE2 PHE A 104 2.371 4.536 1.718 1.00 0.00 C ATOM 1640 CZ PHE A 104 1.300 4.116 0.916 1.00 0.00 C ATOM 0 H PHE A 104 5.684 1.832 -2.222 1.00 0.00 H new ATOM 0 HA PHE A 104 4.799 4.433 -2.103 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.577 2.261 -0.302 1.00 0.00 H new ATOM 0 HB3 PHE A 104 6.046 3.808 0.375 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.056 2.488 -1.514 1.00 0.00 H new ATOM 0 HD2 PHE A 104 4.513 4.583 1.949 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.721 2.972 -0.821 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.180 5.074 2.635 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.288 4.381 1.183 1.00 0.00 H new ATOM 1650 N GLY A 105 8.062 4.252 -1.601 1.00 0.00 N ATOM 1651 CA GLY A 105 9.275 5.036 -1.441 1.00 0.00 C ATOM 1652 C GLY A 105 9.870 5.524 -2.758 1.00 0.00 C ATOM 1653 O GLY A 105 10.989 6.036 -2.739 1.00 0.00 O ATOM 0 H GLY A 105 8.219 3.244 -1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.059 5.898 -0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.019 4.435 -0.917 1.00 0.00 H new ATOM 1657 N HIS A 106 9.163 5.388 -3.893 1.00 0.00 N ATOM 1658 CA HIS A 106 9.580 5.935 -5.191 1.00 0.00 C ATOM 1659 C HIS A 106 10.159 7.356 -5.069 1.00 0.00 C ATOM 1660 O HIS A 106 11.247 7.631 -5.575 1.00 0.00 O ATOM 1661 CB HIS A 106 8.393 5.921 -6.167 1.00 0.00 C ATOM 1662 CG HIS A 106 8.721 6.467 -7.536 1.00 0.00 C ATOM 1663 ND1 HIS A 106 9.581 5.918 -8.464 1.00 0.00 N ATOM 1664 CD2 HIS A 106 8.213 7.614 -8.090 1.00 0.00 C ATOM 1665 CE1 HIS A 106 9.591 6.716 -9.544 1.00 0.00 C ATOM 1666 NE2 HIS A 106 8.771 7.768 -9.366 1.00 0.00 N ATOM 0 H HIS A 106 8.275 4.888 -3.933 1.00 0.00 H new ATOM 0 HA HIS A 106 10.378 5.300 -5.576 1.00 0.00 H new ATOM 0 HB2 HIS A 106 8.033 4.897 -6.271 1.00 0.00 H new ATOM 0 HB3 HIS A 106 7.577 6.504 -5.740 1.00 0.00 H new ATOM 0 HD1 HIS A 106 10.116 5.057 -8.350 1.00 0.00 H new ATOM 0 HD2 HIS A 106 7.505 8.283 -7.623 1.00 0.00 H new ATOM 0 HE1 HIS A 106 10.177 6.538 -10.434 1.00 0.00 H new ATOM 1674 N TRP A 107 9.453 8.232 -4.346 1.00 0.00 N ATOM 1675 CA TRP A 107 9.783 9.657 -4.241 1.00 0.00 C ATOM 1676 C TRP A 107 10.965 9.951 -3.301 1.00 0.00 C ATOM 1677 O TRP A 107 11.286 11.114 -3.052 1.00 0.00 O ATOM 1678 CB TRP A 107 8.529 10.400 -3.762 1.00 0.00 C ATOM 1679 CG TRP A 107 7.242 9.959 -4.389 1.00 0.00 C ATOM 1680 CD1 TRP A 107 6.372 9.095 -3.821 1.00 0.00 C ATOM 1681 CD2 TRP A 107 6.683 10.282 -5.702 1.00 0.00 C ATOM 1682 NE1 TRP A 107 5.339 8.851 -4.692 1.00 0.00 N ATOM 1683 CE2 TRP A 107 5.469 9.551 -5.865 1.00 0.00 C ATOM 1684 CE3 TRP A 107 7.080 11.099 -6.783 1.00 0.00 C ATOM 1685 CZ2 TRP A 107 4.686 9.624 -7.025 1.00 0.00 C ATOM 1686 CZ3 TRP A 107 6.297 11.191 -7.952 1.00 0.00 C ATOM 1687 CH2 TRP A 107 5.102 10.459 -8.072 1.00 0.00 C ATOM 0 H TRP A 107 8.626 7.968 -3.811 1.00 0.00 H new ATOM 0 HA TRP A 107 10.100 10.000 -5.226 1.00 0.00 H new ATOM 0 HB2 TRP A 107 8.447 10.280 -2.682 1.00 0.00 H new ATOM 0 HB3 TRP A 107 8.662 11.464 -3.956 1.00 0.00 H new ATOM 0 HD1 TRP A 107 6.473 8.664 -2.836 1.00 0.00 H new ATOM 0 HE1 TRP A 107 4.563 8.221 -4.490 1.00 0.00 H new ATOM 0 HE3 TRP A 107 7.999 11.663 -6.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 3.777 9.047 -7.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 6.618 11.829 -8.762 1.00 0.00 H new ATOM 0 HH2 TRP A 107 4.506 10.540 -8.969 1.00 0.00 H new ATOM 1698 N ASP A 108 11.602 8.914 -2.760 1.00 0.00 N ATOM 1699 CA ASP A 108 12.790 9.036 -1.926 1.00 0.00 C ATOM 1700 C ASP A 108 13.758 7.956 -2.372 1.00 0.00 C ATOM 1701 O ASP A 108 13.964 6.950 -1.693 1.00 0.00 O ATOM 1702 CB ASP A 108 12.443 8.988 -0.434 1.00 0.00 C ATOM 1703 CG ASP A 108 13.703 9.024 0.452 1.00 0.00 C ATOM 1704 OD1 ASP A 108 14.681 9.729 0.113 1.00 0.00 O ATOM 1705 OD2 ASP A 108 13.680 8.410 1.542 1.00 0.00 O ATOM 0 H ASP A 108 11.299 7.949 -2.893 1.00 0.00 H new ATOM 0 HA ASP A 108 13.265 10.009 -2.052 1.00 0.00 H new ATOM 0 HB2 ASP A 108 11.800 9.832 -0.184 1.00 0.00 H new ATOM 0 HB3 ASP A 108 11.876 8.081 -0.222 1.00 0.00 H new ATOM 1710 N ASN A 109 14.297 8.180 -3.577 1.00 0.00 N ATOM 1711 CA ASN A 109 15.341 7.347 -4.175 1.00 0.00 C ATOM 1712 C ASN A 109 14.950 5.859 -4.201 1.00 0.00 C ATOM 1713 O ASN A 109 15.779 4.973 -3.980 1.00 0.00 O ATOM 1714 CB ASN A 109 16.671 7.649 -3.467 1.00 0.00 C ATOM 1715 CG ASN A 109 17.871 6.966 -4.113 1.00 0.00 C ATOM 1716 OD1 ASN A 109 17.964 6.819 -5.330 1.00 0.00 O ATOM 1717 ND2 ASN A 109 18.830 6.568 -3.297 1.00 0.00 N ATOM 0 H ASN A 109 14.013 8.959 -4.171 1.00 0.00 H new ATOM 0 HA ASN A 109 15.467 7.596 -5.229 1.00 0.00 H new ATOM 0 HB2 ASN A 109 16.835 8.727 -3.463 1.00 0.00 H new ATOM 0 HB3 ASN A 109 16.600 7.333 -2.426 1.00 0.00 H new ATOM 0 HD21 ASN A 109 19.670 6.128 -3.673 1.00 0.00 H new ATOM 0 HD22 ASN A 109 18.731 6.700 -2.291 1.00 0.00 H new ATOM 1724 N GLU A 110 13.662 5.607 -4.465 1.00 0.00 N ATOM 1725 CA GLU A 110 13.076 4.265 -4.521 1.00 0.00 C ATOM 1726 C GLU A 110 13.422 3.411 -3.300 1.00 0.00 C ATOM 1727 O GLU A 110 13.735 2.224 -3.419 1.00 0.00 O ATOM 1728 CB GLU A 110 13.362 3.598 -5.880 1.00 0.00 C ATOM 1729 CG GLU A 110 12.997 4.540 -7.037 1.00 0.00 C ATOM 1730 CD GLU A 110 12.590 3.787 -8.311 1.00 0.00 C ATOM 1731 OE1 GLU A 110 13.469 3.251 -9.023 1.00 0.00 O ATOM 1732 OE2 GLU A 110 11.375 3.760 -8.614 1.00 0.00 O ATOM 0 H GLU A 110 12.985 6.347 -4.649 1.00 0.00 H new ATOM 0 HA GLU A 110 11.992 4.366 -4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 110 14.416 3.328 -5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 110 12.791 2.673 -5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 110 12.178 5.189 -6.727 1.00 0.00 H new ATOM 0 HG3 GLU A 110 13.848 5.184 -7.257 1.00 0.00 H new ATOM 1739 N CYS A 111 13.391 4.035 -2.122 1.00 0.00 N ATOM 1740 CA CYS A 111 13.623 3.342 -0.871 1.00 0.00 C ATOM 1741 C CYS A 111 12.546 2.276 -0.624 1.00 0.00 C ATOM 1742 O CYS A 111 11.380 2.431 -0.997 1.00 0.00 O ATOM 1743 CB CYS A 111 13.735 4.355 0.274 1.00 0.00 C ATOM 1744 SG CYS A 111 12.237 5.361 0.484 1.00 0.00 S ATOM 0 H CYS A 111 13.204 5.032 -2.017 1.00 0.00 H new ATOM 0 HA CYS A 111 14.571 2.807 -0.924 1.00 0.00 H new ATOM 0 HB2 CYS A 111 13.942 3.823 1.203 1.00 0.00 H new ATOM 0 HB3 CYS A 111 14.584 5.013 0.088 1.00 0.00 H new ATOM 0 HG CYS A 111 11.783 5.712 -0.682 1.00 0.00 H new ATOM 1750 N GLU A 112 12.959 1.193 0.025 1.00 0.00 N ATOM 1751 CA GLU A 112 12.066 0.114 0.434 1.00 0.00 C ATOM 1752 C GLU A 112 11.602 0.358 1.879 1.00 0.00 C ATOM 1753 O GLU A 112 12.190 1.177 2.594 1.00 0.00 O ATOM 1754 CB GLU A 112 12.797 -1.231 0.292 1.00 0.00 C ATOM 1755 CG GLU A 112 13.236 -1.497 -1.158 1.00 0.00 C ATOM 1756 CD GLU A 112 13.847 -2.895 -1.321 1.00 0.00 C ATOM 1757 OE1 GLU A 112 15.009 -3.115 -0.906 1.00 0.00 O ATOM 1758 OE2 GLU A 112 13.163 -3.768 -1.897 1.00 0.00 O ATOM 0 H GLU A 112 13.933 1.037 0.285 1.00 0.00 H new ATOM 0 HA GLU A 112 11.183 0.088 -0.204 1.00 0.00 H new ATOM 0 HB2 GLU A 112 13.671 -1.239 0.943 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.143 -2.036 0.627 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.378 -1.396 -1.822 1.00 0.00 H new ATOM 0 HG3 GLU A 112 13.964 -0.745 -1.461 1.00 0.00 H new ATOM 1765 N ILE A 113 10.565 -0.363 2.320 1.00 0.00 N ATOM 1766 CA ILE A 113 9.939 -0.151 3.632 1.00 0.00 C ATOM 1767 C ILE A 113 9.935 -1.497 4.384 1.00 0.00 C ATOM 1768 O ILE A 113 9.705 -2.528 3.745 1.00 0.00 O ATOM 1769 CB ILE A 113 8.529 0.467 3.430 1.00 0.00 C ATOM 1770 CG1 ILE A 113 8.666 1.831 2.706 1.00 0.00 C ATOM 1771 CG2 ILE A 113 7.729 0.589 4.743 1.00 0.00 C ATOM 1772 CD1 ILE A 113 7.388 2.666 2.593 1.00 0.00 C ATOM 0 H ILE A 113 10.135 -1.112 1.777 1.00 0.00 H new ATOM 0 HA ILE A 113 10.494 0.559 4.245 1.00 0.00 H new ATOM 0 HB ILE A 113 7.949 -0.213 2.806 1.00 0.00 H new ATOM 0 HG12 ILE A 113 9.417 2.423 3.229 1.00 0.00 H new ATOM 0 HG13 ILE A 113 9.047 1.649 1.701 1.00 0.00 H new ATOM 0 HG21 ILE A 113 6.753 1.028 4.535 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.596 -0.400 5.181 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.272 1.226 5.442 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.606 3.596 2.069 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.635 2.106 2.039 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.011 2.891 3.591 1.00 0.00 H new ATOM 1784 N PRO A 114 10.194 -1.528 5.710 1.00 0.00 N ATOM 1785 CA PRO A 114 10.142 -2.747 6.520 1.00 0.00 C ATOM 1786 C PRO A 114 8.786 -3.461 6.474 1.00 0.00 C ATOM 1787 O PRO A 114 7.796 -2.945 5.947 1.00 0.00 O ATOM 1788 CB PRO A 114 10.492 -2.330 7.956 1.00 0.00 C ATOM 1789 CG PRO A 114 11.244 -1.015 7.787 1.00 0.00 C ATOM 1790 CD PRO A 114 10.608 -0.405 6.542 1.00 0.00 C ATOM 0 HA PRO A 114 10.849 -3.473 6.119 1.00 0.00 H new ATOM 0 HB2 PRO A 114 9.596 -2.202 8.564 1.00 0.00 H new ATOM 0 HB3 PRO A 114 11.108 -3.081 8.451 1.00 0.00 H new ATOM 0 HG2 PRO A 114 11.125 -0.369 8.657 1.00 0.00 H new ATOM 0 HG3 PRO A 114 12.314 -1.177 7.654 1.00 0.00 H new ATOM 0 HD2 PRO A 114 9.755 0.220 6.806 1.00 0.00 H new ATOM 0 HD3 PRO A 114 11.318 0.231 6.013 1.00 0.00 H new ATOM 1798 N ASP A 115 8.728 -4.657 7.057 1.00 0.00 N ATOM 1799 CA ASP A 115 7.533 -5.493 7.131 1.00 0.00 C ATOM 1800 C ASP A 115 7.155 -5.655 8.607 1.00 0.00 C ATOM 1801 O ASP A 115 7.869 -6.354 9.328 1.00 0.00 O ATOM 1802 CB ASP A 115 7.794 -6.861 6.488 1.00 0.00 C ATOM 1803 CG ASP A 115 6.764 -7.896 6.971 1.00 0.00 C ATOM 1804 OD1 ASP A 115 5.558 -7.565 7.006 1.00 0.00 O ATOM 1805 OD2 ASP A 115 7.183 -9.009 7.361 1.00 0.00 O ATOM 0 H ASP A 115 9.539 -5.084 7.505 1.00 0.00 H new ATOM 0 HA ASP A 115 6.714 -5.024 6.586 1.00 0.00 H new ATOM 0 HB2 ASP A 115 7.746 -6.773 5.403 1.00 0.00 H new ATOM 0 HB3 ASP A 115 8.800 -7.199 6.737 1.00 0.00 H new ATOM 1810 N PRO A 116 6.074 -5.018 9.089 1.00 0.00 N ATOM 1811 CA PRO A 116 5.716 -5.033 10.500 1.00 0.00 C ATOM 1812 C PRO A 116 5.012 -6.328 10.934 1.00 0.00 C ATOM 1813 O PRO A 116 4.810 -6.511 12.134 1.00 0.00 O ATOM 1814 CB PRO A 116 4.802 -3.818 10.679 1.00 0.00 C ATOM 1815 CG PRO A 116 4.070 -3.753 9.341 1.00 0.00 C ATOM 1816 CD PRO A 116 5.139 -4.192 8.340 1.00 0.00 C ATOM 0 HA PRO A 116 6.607 -4.990 11.127 1.00 0.00 H new ATOM 0 HB2 PRO A 116 4.112 -3.949 11.513 1.00 0.00 H new ATOM 0 HB3 PRO A 116 5.370 -2.909 10.875 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.204 -4.415 9.322 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.707 -2.747 9.128 1.00 0.00 H new ATOM 0 HD2 PRO A 116 4.696 -4.752 7.517 1.00 0.00 H new ATOM 0 HD3 PRO A 116 5.643 -3.330 7.904 1.00 0.00 H new ATOM 1824 N TYR A 117 4.634 -7.231 10.018 1.00 0.00 N ATOM 1825 CA TYR A 117 3.892 -8.440 10.350 1.00 0.00 C ATOM 1826 C TYR A 117 4.634 -9.242 11.427 1.00 0.00 C ATOM 1827 O TYR A 117 5.806 -9.586 11.244 1.00 0.00 O ATOM 1828 CB TYR A 117 3.690 -9.252 9.067 1.00 0.00 C ATOM 1829 CG TYR A 117 2.831 -10.484 9.232 1.00 0.00 C ATOM 1830 CD1 TYR A 117 1.434 -10.383 9.119 1.00 0.00 C ATOM 1831 CD2 TYR A 117 3.432 -11.732 9.471 1.00 0.00 C ATOM 1832 CE1 TYR A 117 0.633 -11.533 9.238 1.00 0.00 C ATOM 1833 CE2 TYR A 117 2.639 -12.888 9.592 1.00 0.00 C ATOM 1834 CZ TYR A 117 1.233 -12.792 9.474 1.00 0.00 C ATOM 1835 OH TYR A 117 0.447 -13.898 9.601 1.00 0.00 O ATOM 0 H TYR A 117 4.839 -7.136 9.023 1.00 0.00 H new ATOM 0 HA TYR A 117 2.915 -8.187 10.762 1.00 0.00 H new ATOM 0 HB2 TYR A 117 3.238 -8.608 8.312 1.00 0.00 H new ATOM 0 HB3 TYR A 117 4.666 -9.554 8.686 1.00 0.00 H new ATOM 0 HD1 TYR A 117 0.975 -9.422 8.941 1.00 0.00 H new ATOM 0 HD2 TYR A 117 4.506 -11.804 9.562 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -0.440 -11.455 9.149 1.00 0.00 H new ATOM 0 HE2 TYR A 117 3.103 -13.846 9.775 1.00 0.00 H new ATOM 0 HH TYR A 117 1.011 -14.684 9.759 1.00 0.00 H new ATOM 1845 N ARG A 118 3.950 -9.526 12.546 1.00 0.00 N ATOM 1846 CA ARG A 118 4.504 -10.269 13.692 1.00 0.00 C ATOM 1847 C ARG A 118 5.727 -9.599 14.345 1.00 0.00 C ATOM 1848 O ARG A 118 6.373 -10.221 15.192 1.00 0.00 O ATOM 1849 CB ARG A 118 4.723 -11.761 13.319 1.00 0.00 C ATOM 1850 CG ARG A 118 3.536 -12.703 13.588 1.00 0.00 C ATOM 1851 CD ARG A 118 2.189 -12.258 13.000 1.00 0.00 C ATOM 1852 NE ARG A 118 1.460 -11.354 13.909 1.00 0.00 N ATOM 1853 CZ ARG A 118 0.586 -10.408 13.547 1.00 0.00 C ATOM 1854 NH1 ARG A 118 0.279 -10.194 12.274 1.00 0.00 N ATOM 1855 NH2 ARG A 118 0.008 -9.639 14.458 1.00 0.00 N ATOM 0 H ARG A 118 2.980 -9.242 12.684 1.00 0.00 H new ATOM 0 HA ARG A 118 3.757 -10.241 14.485 1.00 0.00 H new ATOM 0 HB2 ARG A 118 4.974 -11.817 12.260 1.00 0.00 H new ATOM 0 HB3 ARG A 118 5.587 -12.130 13.871 1.00 0.00 H new ATOM 0 HG2 ARG A 118 3.779 -13.688 13.188 1.00 0.00 H new ATOM 0 HG3 ARG A 118 3.422 -12.816 14.666 1.00 0.00 H new ATOM 0 HD2 ARG A 118 2.358 -11.755 12.048 1.00 0.00 H new ATOM 0 HD3 ARG A 118 1.576 -13.135 12.793 1.00 0.00 H new ATOM 0 HE ARG A 118 1.639 -11.460 14.908 1.00 0.00 H new ATOM 0 HH11 ARG A 118 0.713 -10.758 11.543 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -0.391 -9.466 12.026 1.00 0.00 H new ATOM 0 HH21 ARG A 118 0.228 -9.765 15.446 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -0.657 -8.921 14.171 1.00 0.00 H new ATOM 1869 N LYS A 119 6.038 -8.341 14.018 1.00 0.00 N ATOM 1870 CA LYS A 119 7.084 -7.586 14.716 1.00 0.00 C ATOM 1871 C LYS A 119 6.458 -6.828 15.893 1.00 0.00 C ATOM 1872 O LYS A 119 5.232 -6.769 16.021 1.00 0.00 O ATOM 1873 CB LYS A 119 7.806 -6.621 13.755 1.00 0.00 C ATOM 1874 CG LYS A 119 8.240 -7.203 12.398 1.00 0.00 C ATOM 1875 CD LYS A 119 9.002 -8.539 12.445 1.00 0.00 C ATOM 1876 CE LYS A 119 9.434 -9.017 11.046 1.00 0.00 C ATOM 1877 NZ LYS A 119 8.311 -9.053 10.079 1.00 0.00 N ATOM 0 H LYS A 119 5.578 -7.822 13.270 1.00 0.00 H new ATOM 0 HA LYS A 119 7.833 -8.281 15.097 1.00 0.00 H new ATOM 0 HB2 LYS A 119 7.150 -5.771 13.568 1.00 0.00 H new ATOM 0 HB3 LYS A 119 8.692 -6.235 14.260 1.00 0.00 H new ATOM 0 HG2 LYS A 119 7.351 -7.337 11.782 1.00 0.00 H new ATOM 0 HG3 LYS A 119 8.868 -6.468 11.895 1.00 0.00 H new ATOM 0 HD2 LYS A 119 9.883 -8.430 13.077 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.371 -9.298 12.907 1.00 0.00 H new ATOM 0 HE2 LYS A 119 10.214 -8.357 10.666 1.00 0.00 H new ATOM 0 HE3 LYS A 119 9.871 -10.013 11.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 8.535 -9.718 9.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 7.445 -9.363 10.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 8.164 -8.103 9.682 1.00 0.00 H new ATOM 1891 N SER A 120 7.299 -6.253 16.754 1.00 0.00 N ATOM 1892 CA SER A 120 6.855 -5.464 17.901 1.00 0.00 C ATOM 1893 C SER A 120 6.055 -4.225 17.470 1.00 0.00 C ATOM 1894 O SER A 120 6.218 -3.723 16.354 1.00 0.00 O ATOM 1895 CB SER A 120 8.094 -5.054 18.711 1.00 0.00 C ATOM 1896 OG SER A 120 8.941 -6.173 18.941 1.00 0.00 O ATOM 0 H SER A 120 8.313 -6.323 16.673 1.00 0.00 H new ATOM 0 HA SER A 120 6.185 -6.069 18.512 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.644 -4.280 18.176 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.785 -4.624 19.664 1.00 0.00 H new ATOM 0 HG SER A 120 9.725 -5.890 19.457 1.00 0.00 H new ATOM 1902 N ARG A 121 5.234 -3.672 18.375 1.00 0.00 N ATOM 1903 CA ARG A 121 4.447 -2.463 18.095 1.00 0.00 C ATOM 1904 C ARG A 121 5.338 -1.268 17.744 1.00 0.00 C ATOM 1905 O ARG A 121 4.933 -0.432 16.941 1.00 0.00 O ATOM 1906 CB ARG A 121 3.513 -2.161 19.283 1.00 0.00 C ATOM 1907 CG ARG A 121 2.526 -1.017 18.979 1.00 0.00 C ATOM 1908 CD ARG A 121 1.496 -0.793 20.094 1.00 0.00 C ATOM 1909 NE ARG A 121 0.547 -1.918 20.222 1.00 0.00 N ATOM 1910 CZ ARG A 121 -0.657 -1.864 20.810 1.00 0.00 C ATOM 1911 NH1 ARG A 121 -1.086 -0.736 21.375 1.00 0.00 N ATOM 1912 NH2 ARG A 121 -1.434 -2.941 20.825 1.00 0.00 N ATOM 0 H ARG A 121 5.098 -4.047 19.314 1.00 0.00 H new ATOM 0 HA ARG A 121 3.832 -2.648 17.214 1.00 0.00 H new ATOM 0 HB2 ARG A 121 2.954 -3.061 19.540 1.00 0.00 H new ATOM 0 HB3 ARG A 121 4.112 -1.898 20.155 1.00 0.00 H new ATOM 0 HG2 ARG A 121 3.086 -0.095 18.821 1.00 0.00 H new ATOM 0 HG3 ARG A 121 2.002 -1.236 18.048 1.00 0.00 H new ATOM 0 HD2 ARG A 121 2.016 -0.651 21.041 1.00 0.00 H new ATOM 0 HD3 ARG A 121 0.942 0.124 19.894 1.00 0.00 H new ATOM 0 HE ARG A 121 0.833 -2.815 19.829 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -0.497 0.097 21.363 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -2.003 -0.705 21.820 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.114 -3.806 20.390 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.350 -2.903 21.272 1.00 0.00 H new ATOM 1926 N GLU A 122 6.560 -1.200 18.278 1.00 0.00 N ATOM 1927 CA GLU A 122 7.513 -0.156 17.909 1.00 0.00 C ATOM 1928 C GLU A 122 7.833 -0.222 16.407 1.00 0.00 C ATOM 1929 O GLU A 122 7.957 0.814 15.753 1.00 0.00 O ATOM 1930 CB GLU A 122 8.775 -0.297 18.774 1.00 0.00 C ATOM 1931 CG GLU A 122 9.770 0.852 18.556 1.00 0.00 C ATOM 1932 CD GLU A 122 10.961 0.759 19.526 1.00 0.00 C ATOM 1933 OE1 GLU A 122 11.959 0.070 19.213 1.00 0.00 O ATOM 1934 OE2 GLU A 122 10.924 1.391 20.608 1.00 0.00 O ATOM 0 H GLU A 122 6.912 -1.861 18.971 1.00 0.00 H new ATOM 0 HA GLU A 122 7.077 0.825 18.096 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.489 -0.331 19.825 1.00 0.00 H new ATOM 0 HB3 GLU A 122 9.264 -1.244 18.546 1.00 0.00 H new ATOM 0 HG2 GLU A 122 10.134 0.830 17.529 1.00 0.00 H new ATOM 0 HG3 GLU A 122 9.261 1.806 18.693 1.00 0.00 H new ATOM 1941 N THR A 123 7.905 -1.425 15.833 1.00 0.00 N ATOM 1942 CA THR A 123 8.136 -1.596 14.407 1.00 0.00 C ATOM 1943 C THR A 123 6.884 -1.190 13.621 1.00 0.00 C ATOM 1944 O THR A 123 7.019 -0.552 12.577 1.00 0.00 O ATOM 1945 CB THR A 123 8.557 -3.048 14.123 1.00 0.00 C ATOM 1946 OG1 THR A 123 9.545 -3.452 15.060 1.00 0.00 O ATOM 1947 CG2 THR A 123 9.127 -3.202 12.709 1.00 0.00 C ATOM 0 H THR A 123 7.805 -2.301 16.346 1.00 0.00 H new ATOM 0 HA THR A 123 8.948 -0.946 14.080 1.00 0.00 H new ATOM 0 HB THR A 123 7.669 -3.673 14.211 1.00 0.00 H new ATOM 0 HG1 THR A 123 9.810 -4.378 14.878 1.00 0.00 H new ATOM 0 HG21 THR A 123 9.414 -4.240 12.543 1.00 0.00 H new ATOM 0 HG22 THR A 123 8.371 -2.913 11.979 1.00 0.00 H new ATOM 0 HG23 THR A 123 10.002 -2.562 12.598 1.00 0.00 H new ATOM 1955 N PHE A 124 5.669 -1.466 14.120 1.00 0.00 N ATOM 1956 CA PHE A 124 4.452 -0.935 13.505 1.00 0.00 C ATOM 1957 C PHE A 124 4.479 0.596 13.506 1.00 0.00 C ATOM 1958 O PHE A 124 4.109 1.191 12.500 1.00 0.00 O ATOM 1959 CB PHE A 124 3.175 -1.447 14.193 1.00 0.00 C ATOM 1960 CG PHE A 124 2.712 -2.827 13.767 1.00 0.00 C ATOM 1961 CD1 PHE A 124 3.237 -3.982 14.376 1.00 0.00 C ATOM 1962 CD2 PHE A 124 1.721 -2.957 12.772 1.00 0.00 C ATOM 1963 CE1 PHE A 124 2.768 -5.253 14.002 1.00 0.00 C ATOM 1964 CE2 PHE A 124 1.262 -4.231 12.394 1.00 0.00 C ATOM 1965 CZ PHE A 124 1.784 -5.381 13.008 1.00 0.00 C ATOM 0 H PHE A 124 5.508 -2.049 14.941 1.00 0.00 H new ATOM 0 HA PHE A 124 4.429 -1.295 12.477 1.00 0.00 H new ATOM 0 HB2 PHE A 124 3.342 -1.455 15.270 1.00 0.00 H new ATOM 0 HB3 PHE A 124 2.370 -0.737 14.001 1.00 0.00 H new ATOM 0 HD1 PHE A 124 4.002 -3.891 15.133 1.00 0.00 H new ATOM 0 HD2 PHE A 124 1.314 -2.076 12.299 1.00 0.00 H new ATOM 0 HE1 PHE A 124 3.166 -6.135 14.481 1.00 0.00 H new ATOM 0 HE2 PHE A 124 0.506 -4.326 11.629 1.00 0.00 H new ATOM 0 HZ PHE A 124 1.430 -6.359 12.717 1.00 0.00 H new ATOM 1975 N ALA A 125 4.937 1.248 14.581 1.00 0.00 N ATOM 1976 CA ALA A 125 5.029 2.706 14.639 1.00 0.00 C ATOM 1977 C ALA A 125 6.078 3.249 13.658 1.00 0.00 C ATOM 1978 O ALA A 125 5.827 4.251 12.982 1.00 0.00 O ATOM 1979 CB ALA A 125 5.335 3.152 16.073 1.00 0.00 C ATOM 0 H ALA A 125 5.252 0.779 15.430 1.00 0.00 H new ATOM 0 HA ALA A 125 4.067 3.120 14.337 1.00 0.00 H new ATOM 0 HB1 ALA A 125 5.402 4.239 16.109 1.00 0.00 H new ATOM 0 HB2 ALA A 125 4.538 2.815 16.737 1.00 0.00 H new ATOM 0 HB3 ALA A 125 6.282 2.719 16.394 1.00 0.00 H new ATOM 1985 N ALA A 126 7.234 2.587 13.544 1.00 0.00 N ATOM 1986 CA ALA A 126 8.265 2.955 12.579 1.00 0.00 C ATOM 1987 C ALA A 126 7.717 2.852 11.154 1.00 0.00 C ATOM 1988 O ALA A 126 7.845 3.797 10.373 1.00 0.00 O ATOM 1989 CB ALA A 126 9.497 2.062 12.764 1.00 0.00 C ATOM 0 H ALA A 126 7.477 1.781 14.120 1.00 0.00 H new ATOM 0 HA ALA A 126 8.564 3.989 12.750 1.00 0.00 H new ATOM 0 HB1 ALA A 126 10.262 2.343 12.040 1.00 0.00 H new ATOM 0 HB2 ALA A 126 9.889 2.187 13.773 1.00 0.00 H new ATOM 0 HB3 ALA A 126 9.217 1.020 12.610 1.00 0.00 H new ATOM 1995 N VAL A 127 7.059 1.737 10.826 1.00 0.00 N ATOM 1996 CA VAL A 127 6.438 1.556 9.523 1.00 0.00 C ATOM 1997 C VAL A 127 5.323 2.588 9.333 1.00 0.00 C ATOM 1998 O VAL A 127 5.254 3.164 8.256 1.00 0.00 O ATOM 1999 CB VAL A 127 5.986 0.092 9.339 1.00 0.00 C ATOM 2000 CG1 VAL A 127 5.169 -0.108 8.054 1.00 0.00 C ATOM 2001 CG2 VAL A 127 7.219 -0.824 9.250 1.00 0.00 C ATOM 0 H VAL A 127 6.945 0.943 11.456 1.00 0.00 H new ATOM 0 HA VAL A 127 7.162 1.739 8.729 1.00 0.00 H new ATOM 0 HB VAL A 127 5.363 -0.155 10.198 1.00 0.00 H new ATOM 0 HG11 VAL A 127 4.874 -1.154 7.969 1.00 0.00 H new ATOM 0 HG12 VAL A 127 4.278 0.519 8.088 1.00 0.00 H new ATOM 0 HG13 VAL A 127 5.774 0.169 7.191 1.00 0.00 H new ATOM 0 HG21 VAL A 127 6.896 -1.857 9.120 1.00 0.00 H new ATOM 0 HG22 VAL A 127 7.833 -0.526 8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 127 7.803 -0.739 10.167 1.00 0.00 H new ATOM 2011 N TYR A 128 4.502 2.900 10.342 1.00 0.00 N ATOM 2012 CA TYR A 128 3.449 3.904 10.205 1.00 0.00 C ATOM 2013 C TYR A 128 4.049 5.267 9.850 1.00 0.00 C ATOM 2014 O TYR A 128 3.538 5.932 8.958 1.00 0.00 O ATOM 2015 CB TYR A 128 2.594 3.985 11.480 1.00 0.00 C ATOM 2016 CG TYR A 128 1.316 4.790 11.308 1.00 0.00 C ATOM 2017 CD1 TYR A 128 1.351 6.199 11.295 1.00 0.00 C ATOM 2018 CD2 TYR A 128 0.088 4.125 11.127 1.00 0.00 C ATOM 2019 CE1 TYR A 128 0.177 6.940 11.074 1.00 0.00 C ATOM 2020 CE2 TYR A 128 -1.093 4.859 10.920 1.00 0.00 C ATOM 2021 CZ TYR A 128 -1.055 6.270 10.895 1.00 0.00 C ATOM 2022 OH TYR A 128 -2.210 6.965 10.695 1.00 0.00 O ATOM 0 H TYR A 128 4.550 2.468 11.265 1.00 0.00 H new ATOM 0 HA TYR A 128 2.792 3.602 9.389 1.00 0.00 H new ATOM 0 HB2 TYR A 128 2.337 2.975 11.799 1.00 0.00 H new ATOM 0 HB3 TYR A 128 3.189 4.430 12.278 1.00 0.00 H new ATOM 0 HD1 TYR A 128 2.287 6.713 11.456 1.00 0.00 H new ATOM 0 HD2 TYR A 128 0.053 3.046 11.147 1.00 0.00 H new ATOM 0 HE1 TYR A 128 0.216 8.019 11.041 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -2.031 4.342 10.780 1.00 0.00 H new ATOM 0 HH TYR A 128 -2.956 6.337 10.591 1.00 0.00 H new ATOM 2032 N THR A 129 5.150 5.662 10.497 1.00 0.00 N ATOM 2033 CA THR A 129 5.883 6.882 10.155 1.00 0.00 C ATOM 2034 C THR A 129 6.346 6.815 8.703 1.00 0.00 C ATOM 2035 O THR A 129 6.027 7.718 7.935 1.00 0.00 O ATOM 2036 CB THR A 129 7.044 7.062 11.156 1.00 0.00 C ATOM 2037 OG1 THR A 129 6.579 6.956 12.493 1.00 0.00 O ATOM 2038 CG2 THR A 129 7.724 8.426 11.004 1.00 0.00 C ATOM 0 H THR A 129 5.558 5.142 11.274 1.00 0.00 H new ATOM 0 HA THR A 129 5.242 7.760 10.235 1.00 0.00 H new ATOM 0 HB THR A 129 7.762 6.272 10.937 1.00 0.00 H new ATOM 0 HG1 THR A 129 6.466 6.011 12.726 1.00 0.00 H new ATOM 0 HG21 THR A 129 8.535 8.511 11.727 1.00 0.00 H new ATOM 0 HG22 THR A 129 8.126 8.522 9.995 1.00 0.00 H new ATOM 0 HG23 THR A 129 6.996 9.217 11.181 1.00 0.00 H new ATOM 2046 N LEU A 130 7.039 5.753 8.291 1.00 0.00 N ATOM 2047 CA LEU A 130 7.603 5.672 6.947 1.00 0.00 C ATOM 2048 C LEU A 130 6.512 5.595 5.867 1.00 0.00 C ATOM 2049 O LEU A 130 6.678 6.157 4.780 1.00 0.00 O ATOM 2050 CB LEU A 130 8.579 4.487 6.919 1.00 0.00 C ATOM 2051 CG LEU A 130 9.383 4.320 5.618 1.00 0.00 C ATOM 2052 CD1 LEU A 130 10.053 5.612 5.128 1.00 0.00 C ATOM 2053 CD2 LEU A 130 10.479 3.278 5.864 1.00 0.00 C ATOM 0 H LEU A 130 7.223 4.935 8.872 1.00 0.00 H new ATOM 0 HA LEU A 130 8.151 6.584 6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 130 9.280 4.597 7.747 1.00 0.00 H new ATOM 0 HB3 LEU A 130 8.016 3.571 7.097 1.00 0.00 H new ATOM 0 HG LEU A 130 8.676 4.017 4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.600 5.411 4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.291 6.368 4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 130 10.744 5.975 5.889 1.00 0.00 H new ATOM 0 HD21 LEU A 130 11.063 3.143 4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 130 11.132 3.620 6.667 1.00 0.00 H new ATOM 0 HD23 LEU A 130 10.022 2.329 6.147 1.00 0.00 H new ATOM 2065 N LEU A 131 5.377 4.959 6.167 1.00 0.00 N ATOM 2066 CA LEU A 131 4.215 4.913 5.291 1.00 0.00 C ATOM 2067 C LEU A 131 3.550 6.281 5.232 1.00 0.00 C ATOM 2068 O LEU A 131 3.278 6.745 4.136 1.00 0.00 O ATOM 2069 CB LEU A 131 3.182 3.864 5.750 1.00 0.00 C ATOM 2070 CG LEU A 131 3.583 2.391 5.542 1.00 0.00 C ATOM 2071 CD1 LEU A 131 2.448 1.480 6.033 1.00 0.00 C ATOM 2072 CD2 LEU A 131 3.886 2.055 4.080 1.00 0.00 C ATOM 0 H LEU A 131 5.242 4.454 7.043 1.00 0.00 H new ATOM 0 HA LEU A 131 4.570 4.625 4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 131 2.981 4.020 6.810 1.00 0.00 H new ATOM 0 HB3 LEU A 131 2.248 4.045 5.218 1.00 0.00 H new ATOM 0 HG LEU A 131 4.497 2.227 6.113 1.00 0.00 H new ATOM 0 HD11 LEU A 131 2.729 0.437 5.887 1.00 0.00 H new ATOM 0 HD12 LEU A 131 2.268 1.662 7.092 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.540 1.693 5.469 1.00 0.00 H new ATOM 0 HD21 LEU A 131 4.162 1.004 3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 131 3.002 2.246 3.472 1.00 0.00 H new ATOM 0 HD23 LEU A 131 4.710 2.675 3.727 1.00 0.00 H new ATOM 2084 N GLU A 132 3.298 6.945 6.362 1.00 0.00 N ATOM 2085 CA GLU A 132 2.643 8.255 6.385 1.00 0.00 C ATOM 2086 C GLU A 132 3.482 9.269 5.613 1.00 0.00 C ATOM 2087 O GLU A 132 2.959 10.035 4.804 1.00 0.00 O ATOM 2088 CB GLU A 132 2.428 8.681 7.850 1.00 0.00 C ATOM 2089 CG GLU A 132 1.858 10.097 7.987 1.00 0.00 C ATOM 2090 CD GLU A 132 1.429 10.409 9.430 1.00 0.00 C ATOM 2091 OE1 GLU A 132 2.301 10.568 10.314 1.00 0.00 O ATOM 2092 OE2 GLU A 132 0.206 10.555 9.658 1.00 0.00 O ATOM 0 H GLU A 132 3.542 6.590 7.287 1.00 0.00 H new ATOM 0 HA GLU A 132 1.669 8.202 5.898 1.00 0.00 H new ATOM 0 HB2 GLU A 132 1.751 7.975 8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 132 3.378 8.625 8.381 1.00 0.00 H new ATOM 0 HG2 GLU A 132 2.607 10.822 7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 132 1.002 10.209 7.322 1.00 0.00 H new ATOM 2099 N ARG A 133 4.794 9.215 5.838 1.00 0.00 N ATOM 2100 CA ARG A 133 5.767 10.054 5.162 1.00 0.00 C ATOM 2101 C ARG A 133 5.675 9.878 3.646 1.00 0.00 C ATOM 2102 O ARG A 133 5.513 10.851 2.912 1.00 0.00 O ATOM 2103 CB ARG A 133 7.145 9.643 5.714 1.00 0.00 C ATOM 2104 CG ARG A 133 8.256 10.643 5.406 1.00 0.00 C ATOM 2105 CD ARG A 133 9.593 9.983 5.033 1.00 0.00 C ATOM 2106 NE ARG A 133 9.509 9.128 3.826 1.00 0.00 N ATOM 2107 CZ ARG A 133 10.554 8.635 3.147 1.00 0.00 C ATOM 2108 NH1 ARG A 133 11.796 9.000 3.445 1.00 0.00 N ATOM 2109 NH2 ARG A 133 10.351 7.761 2.169 1.00 0.00 N ATOM 0 H ARG A 133 5.213 8.572 6.510 1.00 0.00 H new ATOM 0 HA ARG A 133 5.586 11.113 5.347 1.00 0.00 H new ATOM 0 HB2 ARG A 133 7.071 9.518 6.794 1.00 0.00 H new ATOM 0 HB3 ARG A 133 7.417 8.673 5.299 1.00 0.00 H new ATOM 0 HG2 ARG A 133 7.937 11.286 4.586 1.00 0.00 H new ATOM 0 HG3 ARG A 133 8.407 11.284 6.274 1.00 0.00 H new ATOM 0 HD2 ARG A 133 10.340 10.760 4.868 1.00 0.00 H new ATOM 0 HD3 ARG A 133 9.939 9.381 5.873 1.00 0.00 H new ATOM 0 HE ARG A 133 8.577 8.895 3.483 1.00 0.00 H new ATOM 0 HH11 ARG A 133 11.965 9.665 4.200 1.00 0.00 H new ATOM 0 HH12 ARG A 133 12.581 8.616 2.919 1.00 0.00 H new ATOM 0 HH21 ARG A 133 9.402 7.467 1.937 1.00 0.00 H new ATOM 0 HH22 ARG A 133 11.144 7.383 1.650 1.00 0.00 H new ATOM 2123 N SER A 134 5.760 8.639 3.165 1.00 0.00 N ATOM 2124 CA SER A 134 5.824 8.375 1.734 1.00 0.00 C ATOM 2125 C SER A 134 4.436 8.497 1.087 1.00 0.00 C ATOM 2126 O SER A 134 4.340 8.913 -0.066 1.00 0.00 O ATOM 2127 CB SER A 134 6.482 7.015 1.498 1.00 0.00 C ATOM 2128 OG SER A 134 7.642 6.878 2.311 1.00 0.00 O ATOM 0 H SER A 134 5.786 7.803 3.749 1.00 0.00 H new ATOM 0 HA SER A 134 6.443 9.128 1.247 1.00 0.00 H new ATOM 0 HB2 SER A 134 5.775 6.217 1.725 1.00 0.00 H new ATOM 0 HB3 SER A 134 6.752 6.912 0.447 1.00 0.00 H new ATOM 0 HG SER A 134 7.390 6.499 3.179 1.00 0.00 H new ATOM 2134 N ALA A 135 3.355 8.230 1.831 1.00 0.00 N ATOM 2135 CA ALA A 135 1.994 8.516 1.394 1.00 0.00 C ATOM 2136 C ALA A 135 1.805 10.016 1.185 1.00 0.00 C ATOM 2137 O ALA A 135 1.091 10.403 0.265 1.00 0.00 O ATOM 2138 CB ALA A 135 0.964 8.015 2.416 1.00 0.00 C ATOM 0 H ALA A 135 3.407 7.807 2.758 1.00 0.00 H new ATOM 0 HA ALA A 135 1.836 7.992 0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.041 8.243 2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 135 1.069 6.937 2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.132 8.508 3.373 1.00 0.00 H new ATOM 2144 N ARG A 136 2.445 10.867 1.997 1.00 0.00 N ATOM 2145 CA ARG A 136 2.397 12.315 1.804 1.00 0.00 C ATOM 2146 C ARG A 136 3.060 12.684 0.481 1.00 0.00 C ATOM 2147 O ARG A 136 2.512 13.488 -0.269 1.00 0.00 O ATOM 2148 CB ARG A 136 3.075 13.015 2.994 1.00 0.00 C ATOM 2149 CG ARG A 136 2.578 14.447 3.219 1.00 0.00 C ATOM 2150 CD ARG A 136 3.244 15.007 4.482 1.00 0.00 C ATOM 2151 NE ARG A 136 2.640 16.279 4.912 1.00 0.00 N ATOM 2152 CZ ARG A 136 1.783 16.446 5.929 1.00 0.00 C ATOM 2153 NH1 ARG A 136 1.282 15.401 6.588 1.00 0.00 N ATOM 2154 NH2 ARG A 136 1.426 17.675 6.287 1.00 0.00 N ATOM 0 H ARG A 136 3.004 10.572 2.797 1.00 0.00 H new ATOM 0 HA ARG A 136 1.361 12.650 1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.900 12.431 3.898 1.00 0.00 H new ATOM 0 HB3 ARG A 136 4.152 13.033 2.830 1.00 0.00 H new ATOM 0 HG2 ARG A 136 2.818 15.070 2.357 1.00 0.00 H new ATOM 0 HG3 ARG A 136 1.493 14.458 3.327 1.00 0.00 H new ATOM 0 HD2 ARG A 136 3.162 14.277 5.288 1.00 0.00 H new ATOM 0 HD3 ARG A 136 4.307 15.157 4.294 1.00 0.00 H new ATOM 0 HE ARG A 136 2.899 17.113 4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 136 1.550 14.454 6.321 1.00 0.00 H new ATOM 0 HH12 ARG A 136 0.631 15.549 7.359 1.00 0.00 H new ATOM 0 HH21 ARG A 136 1.804 18.481 5.789 1.00 0.00 H new ATOM 0 HH22 ARG A 136 0.774 17.812 7.060 1.00 0.00 H new ATOM 2168 N GLN A 137 4.206 12.074 0.164 1.00 0.00 N ATOM 2169 CA GLN A 137 4.881 12.303 -1.109 1.00 0.00 C ATOM 2170 C GLN A 137 4.023 11.807 -2.281 1.00 0.00 C ATOM 2171 O GLN A 137 3.871 12.524 -3.271 1.00 0.00 O ATOM 2172 CB GLN A 137 6.266 11.645 -1.126 1.00 0.00 C ATOM 2173 CG GLN A 137 7.214 12.185 -0.044 1.00 0.00 C ATOM 2174 CD GLN A 137 8.618 11.612 -0.230 1.00 0.00 C ATOM 2175 OE1 GLN A 137 8.942 10.538 0.271 1.00 0.00 O ATOM 2176 NE2 GLN A 137 9.462 12.295 -0.987 1.00 0.00 N ATOM 0 H GLN A 137 4.685 11.415 0.778 1.00 0.00 H new ATOM 0 HA GLN A 137 5.021 13.378 -1.225 1.00 0.00 H new ATOM 0 HB2 GLN A 137 6.150 10.569 -0.993 1.00 0.00 H new ATOM 0 HB3 GLN A 137 6.720 11.798 -2.105 1.00 0.00 H new ATOM 0 HG2 GLN A 137 7.249 13.273 -0.093 1.00 0.00 H new ATOM 0 HG3 GLN A 137 6.835 11.923 0.944 1.00 0.00 H new ATOM 0 HE21 GLN A 137 9.176 13.185 -1.395 1.00 0.00 H new ATOM 0 HE22 GLN A 137 10.399 11.931 -1.163 1.00 0.00 H new ATOM 2185 N TRP A 138 3.408 10.623 -2.163 1.00 0.00 N ATOM 2186 CA TRP A 138 2.462 10.134 -3.164 1.00 0.00 C ATOM 2187 C TRP A 138 1.305 11.120 -3.330 1.00 0.00 C ATOM 2188 O TRP A 138 0.981 11.484 -4.457 1.00 0.00 O ATOM 2189 CB TRP A 138 1.961 8.721 -2.814 1.00 0.00 C ATOM 2190 CG TRP A 138 2.686 7.614 -3.517 1.00 0.00 C ATOM 2191 CD1 TRP A 138 3.737 6.908 -3.043 1.00 0.00 C ATOM 2192 CD2 TRP A 138 2.449 7.111 -4.868 1.00 0.00 C ATOM 2193 NE1 TRP A 138 4.209 6.061 -4.030 1.00 0.00 N ATOM 2194 CE2 TRP A 138 3.447 6.137 -5.175 1.00 0.00 C ATOM 2195 CE3 TRP A 138 1.510 7.407 -5.879 1.00 0.00 C ATOM 2196 CZ2 TRP A 138 3.520 5.504 -6.424 1.00 0.00 C ATOM 2197 CZ3 TRP A 138 1.557 6.759 -7.128 1.00 0.00 C ATOM 2198 CH2 TRP A 138 2.560 5.813 -7.402 1.00 0.00 C ATOM 0 H TRP A 138 3.552 9.987 -1.379 1.00 0.00 H new ATOM 0 HA TRP A 138 2.979 10.061 -4.121 1.00 0.00 H new ATOM 0 HB2 TRP A 138 2.053 8.573 -1.738 1.00 0.00 H new ATOM 0 HB3 TRP A 138 0.900 8.655 -3.056 1.00 0.00 H new ATOM 0 HD1 TRP A 138 4.145 6.992 -2.047 1.00 0.00 H new ATOM 0 HE1 TRP A 138 5.022 5.454 -3.923 1.00 0.00 H new ATOM 0 HE3 TRP A 138 0.742 8.143 -5.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 4.303 4.789 -6.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 0.818 6.990 -7.881 1.00 0.00 H new ATOM 0 HH2 TRP A 138 2.593 5.324 -8.364 1.00 0.00 H new ATOM 2209 N ALA A 139 0.717 11.601 -2.233 1.00 0.00 N ATOM 2210 CA ALA A 139 -0.386 12.546 -2.289 1.00 0.00 C ATOM 2211 C ALA A 139 0.027 13.857 -2.955 1.00 0.00 C ATOM 2212 O ALA A 139 -0.753 14.403 -3.728 1.00 0.00 O ATOM 2213 CB ALA A 139 -0.929 12.804 -0.884 1.00 0.00 C ATOM 0 H ALA A 139 0.995 11.344 -1.286 1.00 0.00 H new ATOM 0 HA ALA A 139 -1.174 12.105 -2.899 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.755 13.513 -0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -1.283 11.867 -0.453 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -0.137 13.216 -0.258 1.00 0.00 H new ATOM 2219 N GLN A 140 1.243 14.352 -2.709 1.00 0.00 N ATOM 2220 CA GLN A 140 1.757 15.555 -3.356 1.00 0.00 C ATOM 2221 C GLN A 140 1.782 15.379 -4.881 1.00 0.00 C ATOM 2222 O GLN A 140 1.457 16.323 -5.605 1.00 0.00 O ATOM 2223 CB GLN A 140 3.144 15.886 -2.769 1.00 0.00 C ATOM 2224 CG GLN A 140 3.889 17.058 -3.430 1.00 0.00 C ATOM 2225 CD GLN A 140 3.160 18.397 -3.287 1.00 0.00 C ATOM 2226 OE1 GLN A 140 3.407 19.163 -2.359 1.00 0.00 O ATOM 2227 NE2 GLN A 140 2.251 18.715 -4.196 1.00 0.00 N ATOM 0 H GLN A 140 1.898 13.926 -2.053 1.00 0.00 H new ATOM 0 HA GLN A 140 1.099 16.401 -3.158 1.00 0.00 H new ATOM 0 HB2 GLN A 140 3.025 16.108 -1.708 1.00 0.00 H new ATOM 0 HB3 GLN A 140 3.769 14.996 -2.840 1.00 0.00 H new ATOM 0 HG2 GLN A 140 4.882 17.144 -2.988 1.00 0.00 H new ATOM 0 HG3 GLN A 140 4.029 16.840 -4.489 1.00 0.00 H new ATOM 0 HE21 GLN A 140 2.051 18.074 -4.964 1.00 0.00 H new ATOM 0 HE22 GLN A 140 1.750 19.601 -4.128 1.00 0.00 H new ATOM 2236 N ALA A 141 2.143 14.192 -5.376 1.00 0.00 N ATOM 2237 CA ALA A 141 2.168 13.918 -6.806 1.00 0.00 C ATOM 2238 C ALA A 141 0.755 13.717 -7.363 1.00 0.00 C ATOM 2239 O ALA A 141 0.421 14.266 -8.413 1.00 0.00 O ATOM 2240 CB ALA A 141 3.022 12.678 -7.054 1.00 0.00 C ATOM 0 H ALA A 141 2.424 13.401 -4.796 1.00 0.00 H new ATOM 0 HA ALA A 141 2.599 14.775 -7.323 1.00 0.00 H new ATOM 0 HB1 ALA A 141 3.049 12.462 -8.122 1.00 0.00 H new ATOM 0 HB2 ALA A 141 4.035 12.856 -6.694 1.00 0.00 H new ATOM 0 HB3 ALA A 141 2.593 11.828 -6.523 1.00 0.00 H new ATOM 2246 N LEU A 142 -0.090 12.961 -6.658 1.00 0.00 N ATOM 2247 CA LEU A 142 -1.493 12.746 -7.027 1.00 0.00 C ATOM 2248 C LEU A 142 -2.238 14.082 -7.109 1.00 0.00 C ATOM 2249 O LEU A 142 -3.012 14.294 -8.041 1.00 0.00 O ATOM 2250 CB LEU A 142 -2.189 11.812 -6.018 1.00 0.00 C ATOM 2251 CG LEU A 142 -1.711 10.344 -6.041 1.00 0.00 C ATOM 2252 CD1 LEU A 142 -2.273 9.591 -4.828 1.00 0.00 C ATOM 2253 CD2 LEU A 142 -2.126 9.606 -7.318 1.00 0.00 C ATOM 0 H LEU A 142 0.183 12.475 -5.804 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.514 12.271 -8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -2.038 12.211 -5.015 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -3.262 11.831 -6.210 1.00 0.00 H new ATOM 0 HG LEU A 142 -0.622 10.369 -6.009 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -1.931 8.556 -4.852 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -1.925 10.067 -3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -3.362 9.614 -4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -1.763 8.579 -7.279 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -3.213 9.604 -7.400 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -1.698 10.109 -8.185 1.00 0.00 H new