USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 856 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 TYR OH : rot 26:sc= 1.19 USER MOD Set 1.2: A 46 THR OG1 : rot -75:sc= 2.3 USER MOD Set 2.1: A 32 THR OG1 : rot -76:sc= 1.02 USER MOD Set 2.2: A 50 THR OG1 : rot 180:sc= 0.873 USER MOD Single : A 26 GLN : amide:sc= -0.003 X(o=-0.003,f=0) USER MOD Single : A 33 TYR OH : rot -50:sc= -0.211 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 1.51 K(o=1.5,f=-8!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 MET CE :methyl -167:sc= -0.0726 (180deg=-0.362) USER MOD Single : A 52 ASN : amide:sc= -0.693 X(o=-0.69,f=-0.29) USER MOD Single : A 53 THR OG1 : rot -163:sc= 1.27 USER MOD Single : A 56 SER OG : rot 167:sc= 0.201 USER MOD Single : A 58 GLN : amide:sc= -0.241 K(o=-0.24,f=-2.4!) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -162:sc= 1.22 USER MOD Single : A 68 GLN : amide:sc= -1.41 X(o=-1.4,f=-0.96) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 172:sc= -0.269 (180deg=-0.382) USER MOD Single : A 75 ASN : amide:sc= -0.997 K(o=-1,f=-7.6!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -179:sc= 0.991 USER MOD Single : A 82 MET CE :methyl 157:sc= -1.97 (180deg=-3.66!) USER MOD Single : A 83 ASN : amide:sc= -0.541 K(o=-0.54,f=0.0018) USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 51:sc= 1.18 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 96 MET CE :methyl 163:sc= -0.131 (180deg=-0.742) USER MOD Single : A 98 GLN : amide:sc= 0.0109 X(o=0.011,f=-0.0021) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HE2:sc= -0.286 K(o=-0.29,f=-2.2) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 ASN : amide:sc= -0.35 X(o=-0.35,f=-0.04) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= 0.706 K(o=0.71,f=0) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 120:sc= 0.448 USER MOD Single : A 122 ASN : amide:sc= 0.0322 K(o=0.032,f=-0.71) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.0063) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 -8.561 -19.033 9.627 1.00 0.00 N ATOM 2 CA GLY A 25 -8.263 -18.345 8.364 1.00 0.00 C ATOM 3 C GLY A 25 -7.005 -18.922 7.742 1.00 0.00 C ATOM 4 O GLY A 25 -6.729 -20.113 7.900 1.00 0.00 O ATOM 0 HA2 GLY A 25 -9.101 -18.453 7.675 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.133 -17.278 8.544 1.00 0.00 H new ATOM 8 N GLN A 26 -6.226 -18.076 7.066 1.00 0.00 N ATOM 9 CA GLN A 26 -4.823 -18.318 6.745 1.00 0.00 C ATOM 10 C GLN A 26 -4.036 -17.176 7.414 1.00 0.00 C ATOM 11 O GLN A 26 -4.648 -16.161 7.743 1.00 0.00 O ATOM 12 CB GLN A 26 -4.648 -18.357 5.215 1.00 0.00 C ATOM 13 CG GLN A 26 -3.327 -18.981 4.735 1.00 0.00 C ATOM 14 CD GLN A 26 -3.437 -20.480 4.469 1.00 0.00 C ATOM 15 OE1 GLN A 26 -3.565 -20.901 3.321 1.00 0.00 O ATOM 16 NE2 GLN A 26 -3.387 -21.315 5.496 1.00 0.00 N ATOM 0 H GLN A 26 -6.565 -17.179 6.718 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.457 -19.277 7.113 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.477 -18.917 4.782 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.715 -17.340 4.829 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.005 -18.479 3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.556 -18.806 5.485 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.281 -20.952 6.443 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -3.455 -22.321 5.339 1.00 0.00 H new ATOM 25 N GLU A 27 -2.717 -17.297 7.605 1.00 0.00 N ATOM 26 CA GLU A 27 -1.855 -16.224 8.111 1.00 0.00 C ATOM 27 C GLU A 27 -0.393 -16.622 7.940 1.00 0.00 C ATOM 28 O GLU A 27 -0.002 -17.700 8.398 1.00 0.00 O ATOM 29 CB GLU A 27 -2.176 -15.950 9.590 1.00 0.00 C ATOM 30 CG GLU A 27 -1.174 -15.037 10.320 1.00 0.00 C ATOM 31 CD GLU A 27 -1.529 -14.836 11.798 1.00 0.00 C ATOM 32 OE1 GLU A 27 -2.277 -15.663 12.377 1.00 0.00 O ATOM 33 OE2 GLU A 27 -1.023 -13.861 12.401 1.00 0.00 O ATOM 0 H GLU A 27 -2.210 -18.160 7.408 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.037 -15.310 7.545 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.166 -15.499 9.653 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.226 -16.903 10.117 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.175 -15.467 10.245 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.142 -14.068 9.823 1.00 0.00 H new ATOM 41 N LEU A 28 0.418 -15.783 7.276 1.00 0.00 N ATOM 42 CA LEU A 28 1.844 -16.089 7.093 1.00 0.00 C ATOM 43 C LEU A 28 2.826 -14.903 6.920 1.00 0.00 C ATOM 44 O LEU A 28 3.601 -14.883 5.963 1.00 0.00 O ATOM 45 CB LEU A 28 2.030 -17.196 6.024 1.00 0.00 C ATOM 46 CG LEU A 28 1.372 -17.084 4.629 1.00 0.00 C ATOM 47 CD1 LEU A 28 -0.142 -17.298 4.717 1.00 0.00 C ATOM 48 CD2 LEU A 28 1.657 -15.797 3.849 1.00 0.00 C ATOM 0 H LEU A 28 0.116 -14.901 6.863 1.00 0.00 H new ATOM 0 HA LEU A 28 2.156 -16.463 8.068 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.102 -17.304 5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.679 -18.128 6.467 1.00 0.00 H new ATOM 0 HG LEU A 28 1.850 -17.880 4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.580 -17.214 3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.346 -18.290 5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.579 -16.543 5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.144 -15.833 2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.300 -14.939 4.419 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.730 -15.702 3.684 1.00 0.00 H new ATOM 60 N PRO A 29 2.874 -13.926 7.844 1.00 0.00 N ATOM 61 CA PRO A 29 3.789 -12.788 7.770 1.00 0.00 C ATOM 62 C PRO A 29 5.207 -13.101 8.278 1.00 0.00 C ATOM 63 O PRO A 29 5.366 -13.405 9.460 1.00 0.00 O ATOM 64 CB PRO A 29 3.158 -11.696 8.623 1.00 0.00 C ATOM 65 CG PRO A 29 2.375 -12.495 9.676 1.00 0.00 C ATOM 66 CD PRO A 29 2.048 -13.833 9.029 1.00 0.00 C ATOM 0 HA PRO A 29 3.920 -12.495 6.728 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.911 -11.054 9.080 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.504 -11.051 8.036 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.967 -12.633 10.581 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.465 -11.970 9.968 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.255 -14.656 9.713 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.991 -13.892 8.771 1.00 0.00 H new ATOM 74 N PRO A 30 6.241 -12.946 7.432 1.00 0.00 N ATOM 75 CA PRO A 30 7.644 -12.867 7.800 1.00 0.00 C ATOM 76 C PRO A 30 8.119 -11.401 7.943 1.00 0.00 C ATOM 77 O PRO A 30 9.321 -11.127 7.837 1.00 0.00 O ATOM 78 CB PRO A 30 8.313 -13.530 6.603 1.00 0.00 C ATOM 79 CG PRO A 30 7.580 -12.855 5.443 1.00 0.00 C ATOM 80 CD PRO A 30 6.160 -12.748 5.999 1.00 0.00 C ATOM 0 HA PRO A 30 7.867 -13.331 8.761 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.387 -13.344 6.576 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.177 -14.612 6.602 1.00 0.00 H new ATOM 0 HG2 PRO A 30 8.002 -11.879 5.204 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.619 -13.451 4.531 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.730 -11.773 5.770 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.512 -13.497 5.544 1.00 0.00 H new ATOM 88 N GLY A 31 7.198 -10.430 8.033 1.00 0.00 N ATOM 89 CA GLY A 31 7.525 -9.024 8.168 1.00 0.00 C ATOM 90 C GLY A 31 7.634 -8.400 6.790 1.00 0.00 C ATOM 91 O GLY A 31 6.676 -7.795 6.325 1.00 0.00 O ATOM 0 H GLY A 31 6.195 -10.614 8.013 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.757 -8.515 8.751 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.465 -8.908 8.708 1.00 0.00 H new ATOM 95 N THR A 32 8.764 -8.562 6.108 1.00 0.00 N ATOM 96 CA THR A 32 9.075 -7.868 4.859 1.00 0.00 C ATOM 97 C THR A 32 9.259 -8.903 3.764 1.00 0.00 C ATOM 98 O THR A 32 9.680 -10.038 4.018 1.00 0.00 O ATOM 99 CB THR A 32 10.297 -6.932 5.028 1.00 0.00 C ATOM 100 OG1 THR A 32 10.157 -6.168 6.214 1.00 0.00 O ATOM 101 CG2 THR A 32 10.541 -5.953 3.863 1.00 0.00 C ATOM 0 H THR A 32 9.506 -9.192 6.413 1.00 0.00 H new ATOM 0 HA THR A 32 8.250 -7.215 4.573 1.00 0.00 H new ATOM 0 HB THR A 32 11.156 -7.603 5.062 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.508 -5.449 6.065 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.418 -5.343 4.078 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.706 -6.515 2.944 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.671 -5.308 3.742 1.00 0.00 H new ATOM 109 N TYR A 33 8.893 -8.514 2.549 1.00 0.00 N ATOM 110 CA TYR A 33 9.131 -9.250 1.327 1.00 0.00 C ATOM 111 C TYR A 33 9.276 -8.252 0.178 1.00 0.00 C ATOM 112 O TYR A 33 9.058 -7.053 0.375 1.00 0.00 O ATOM 113 CB TYR A 33 8.021 -10.284 1.114 1.00 0.00 C ATOM 114 CG TYR A 33 6.724 -9.842 0.469 1.00 0.00 C ATOM 115 CD1 TYR A 33 6.110 -8.602 0.751 1.00 0.00 C ATOM 116 CD2 TYR A 33 6.090 -10.749 -0.389 1.00 0.00 C ATOM 117 CE1 TYR A 33 4.860 -8.281 0.199 1.00 0.00 C ATOM 118 CE2 TYR A 33 4.863 -10.417 -0.972 1.00 0.00 C ATOM 119 CZ TYR A 33 4.243 -9.183 -0.686 1.00 0.00 C ATOM 120 OH TYR A 33 3.062 -8.851 -1.268 1.00 0.00 O ATOM 0 H TYR A 33 8.400 -7.636 2.388 1.00 0.00 H new ATOM 0 HA TYR A 33 10.059 -9.819 1.380 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.433 -11.090 0.507 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.777 -10.711 2.087 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.607 -7.894 1.398 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.548 -11.704 -0.600 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.376 -7.349 0.452 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.386 -11.112 -1.647 1.00 0.00 H new ATOM 0 HH TYR A 33 2.434 -8.544 -0.581 1.00 0.00 H new ATOM 130 N ARG A 34 9.593 -8.708 -1.036 1.00 0.00 N ATOM 131 CA ARG A 34 9.634 -7.832 -2.204 1.00 0.00 C ATOM 132 C ARG A 34 8.878 -8.442 -3.365 1.00 0.00 C ATOM 133 O ARG A 34 8.847 -9.668 -3.506 1.00 0.00 O ATOM 134 CB ARG A 34 11.081 -7.500 -2.582 1.00 0.00 C ATOM 135 CG ARG A 34 11.163 -6.116 -3.238 1.00 0.00 C ATOM 136 CD ARG A 34 11.792 -6.040 -4.610 1.00 0.00 C ATOM 137 NE ARG A 34 13.175 -6.508 -4.606 1.00 0.00 N ATOM 138 CZ ARG A 34 14.255 -5.728 -4.498 1.00 0.00 C ATOM 139 NH1 ARG A 34 14.263 -4.687 -3.679 1.00 0.00 N ATOM 140 NH2 ARG A 34 15.320 -5.965 -5.250 1.00 0.00 N ATOM 0 H ARG A 34 9.825 -9.681 -1.234 1.00 0.00 H new ATOM 0 HA ARG A 34 9.137 -6.896 -1.949 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.710 -7.525 -1.692 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.467 -8.256 -3.266 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.152 -5.714 -3.307 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.723 -5.459 -2.572 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.209 -6.639 -5.309 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.759 -5.011 -4.967 1.00 0.00 H new ATOM 0 HE ARG A 34 13.330 -7.512 -4.693 1.00 0.00 H new ATOM 0 HH11 ARG A 34 13.437 -4.472 -3.120 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.095 -4.101 -3.607 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.315 -6.742 -5.911 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.145 -5.370 -5.168 1.00 0.00 H new ATOM 154 N VAL A 35 8.237 -7.578 -4.149 1.00 0.00 N ATOM 155 CA VAL A 35 7.183 -7.927 -5.085 1.00 0.00 C ATOM 156 C VAL A 35 7.040 -6.829 -6.130 1.00 0.00 C ATOM 157 O VAL A 35 7.522 -5.714 -5.912 1.00 0.00 O ATOM 158 CB VAL A 35 5.848 -8.046 -4.327 1.00 0.00 C ATOM 159 CG1 VAL A 35 5.803 -9.358 -3.574 1.00 0.00 C ATOM 160 CG2 VAL A 35 5.561 -6.921 -3.310 1.00 0.00 C ATOM 0 H VAL A 35 8.449 -6.580 -4.146 1.00 0.00 H new ATOM 0 HA VAL A 35 7.434 -8.872 -5.566 1.00 0.00 H new ATOM 0 HB VAL A 35 5.086 -7.975 -5.104 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.857 -9.438 -3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.893 -10.185 -4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.627 -9.397 -2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.598 -7.100 -2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.345 -6.906 -2.553 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.537 -5.961 -3.826 1.00 0.00 H new ATOM 170 N ASP A 36 6.289 -7.122 -7.192 1.00 0.00 N ATOM 171 CA ASP A 36 5.643 -6.131 -8.034 1.00 0.00 C ATOM 172 C ASP A 36 4.391 -5.728 -7.248 1.00 0.00 C ATOM 173 O ASP A 36 3.622 -6.575 -6.777 1.00 0.00 O ATOM 174 CB ASP A 36 5.316 -6.726 -9.425 1.00 0.00 C ATOM 175 CG ASP A 36 6.045 -6.051 -10.598 1.00 0.00 C ATOM 176 OD1 ASP A 36 7.164 -5.516 -10.417 1.00 0.00 O ATOM 177 OD2 ASP A 36 5.479 -6.004 -11.718 1.00 0.00 O ATOM 0 H ASP A 36 6.113 -8.081 -7.493 1.00 0.00 H new ATOM 0 HA ASP A 36 6.271 -5.265 -8.243 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.568 -7.787 -9.420 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.241 -6.654 -9.593 1.00 0.00 H new ATOM 183 N ILE A 37 4.238 -4.432 -7.008 1.00 0.00 N ATOM 184 CA ILE A 37 3.215 -3.832 -6.169 1.00 0.00 C ATOM 185 C ILE A 37 2.140 -3.372 -7.152 1.00 0.00 C ATOM 186 O ILE A 37 2.399 -2.538 -8.034 1.00 0.00 O ATOM 187 CB ILE A 37 3.816 -2.663 -5.347 1.00 0.00 C ATOM 188 CG1 ILE A 37 5.128 -3.034 -4.610 1.00 0.00 C ATOM 189 CG2 ILE A 37 2.780 -2.198 -4.311 1.00 0.00 C ATOM 190 CD1 ILE A 37 5.957 -1.814 -4.193 1.00 0.00 C ATOM 0 H ILE A 37 4.860 -3.735 -7.417 1.00 0.00 H new ATOM 0 HA ILE A 37 2.800 -4.518 -5.431 1.00 0.00 H new ATOM 0 HB ILE A 37 4.062 -1.872 -6.056 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.885 -3.619 -3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.732 -3.671 -5.257 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.193 -1.375 -3.727 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.878 -1.862 -4.823 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.533 -3.026 -3.647 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.861 -2.146 -3.683 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.230 -1.240 -5.078 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.370 -1.188 -3.521 1.00 0.00 H new ATOM 202 N TYR A 38 0.942 -3.934 -7.038 1.00 0.00 N ATOM 203 CA TYR A 38 -0.058 -3.963 -8.100 1.00 0.00 C ATOM 204 C TYR A 38 -1.358 -3.391 -7.546 1.00 0.00 C ATOM 205 O TYR A 38 -1.988 -4.012 -6.697 1.00 0.00 O ATOM 206 CB TYR A 38 -0.214 -5.403 -8.626 1.00 0.00 C ATOM 207 CG TYR A 38 0.188 -5.583 -10.075 1.00 0.00 C ATOM 208 CD1 TYR A 38 -0.753 -5.394 -11.098 1.00 0.00 C ATOM 209 CD2 TYR A 38 1.497 -5.979 -10.395 1.00 0.00 C ATOM 210 CE1 TYR A 38 -0.403 -5.624 -12.442 1.00 0.00 C ATOM 211 CE2 TYR A 38 1.863 -6.208 -11.735 1.00 0.00 C ATOM 212 CZ TYR A 38 0.905 -6.050 -12.762 1.00 0.00 C ATOM 213 OH TYR A 38 1.240 -6.311 -14.057 1.00 0.00 O ATOM 0 H TYR A 38 0.631 -4.394 -6.182 1.00 0.00 H new ATOM 0 HA TYR A 38 0.246 -3.352 -8.950 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.387 -6.070 -8.009 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.253 -5.710 -8.508 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.753 -5.070 -10.853 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.226 -6.108 -9.609 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.132 -5.475 -13.225 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.873 -6.504 -11.978 1.00 0.00 H new ATOM 0 HH TYR A 38 2.178 -6.592 -14.102 1.00 0.00 H new ATOM 223 N LEU A 39 -1.735 -2.178 -7.959 1.00 0.00 N ATOM 224 CA LEU A 39 -2.962 -1.520 -7.517 1.00 0.00 C ATOM 225 C LEU A 39 -3.909 -1.511 -8.679 1.00 0.00 C ATOM 226 O LEU A 39 -3.509 -1.227 -9.800 1.00 0.00 O ATOM 227 CB LEU A 39 -2.720 -0.075 -7.075 1.00 0.00 C ATOM 228 CG LEU A 39 -4.026 0.693 -6.769 1.00 0.00 C ATOM 229 CD1 LEU A 39 -4.680 1.464 -7.913 1.00 0.00 C ATOM 230 CD2 LEU A 39 -4.931 0.032 -5.743 1.00 0.00 C ATOM 0 H LEU A 39 -1.189 -1.621 -8.617 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.360 -2.063 -6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.089 -0.074 -6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.171 0.451 -7.857 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.663 1.560 -6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.585 1.952 -7.552 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.987 2.217 -8.288 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.936 0.774 -8.717 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.821 0.644 -5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.225 -0.955 -6.099 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.398 -0.067 -4.798 1.00 0.00 H new ATOM 242 N ASN A 40 -5.171 -1.753 -8.373 1.00 0.00 N ATOM 243 CA ASN A 40 -6.270 -1.880 -9.286 1.00 0.00 C ATOM 244 C ASN A 40 -5.890 -2.757 -10.464 1.00 0.00 C ATOM 245 O ASN A 40 -6.148 -2.418 -11.617 1.00 0.00 O ATOM 246 CB ASN A 40 -6.943 -0.562 -9.695 1.00 0.00 C ATOM 247 CG ASN A 40 -7.759 0.085 -8.594 1.00 0.00 C ATOM 248 OD1 ASN A 40 -8.068 -0.537 -7.583 1.00 0.00 O ATOM 249 ND2 ASN A 40 -8.100 1.345 -8.763 1.00 0.00 N ATOM 0 H ASN A 40 -5.466 -1.873 -7.404 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.061 -2.384 -8.730 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.175 0.139 -10.023 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.591 -0.748 -10.551 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.635 1.830 -8.043 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.829 1.837 -9.614 1.00 0.00 H new ATOM 256 N ASN A 41 -5.201 -3.862 -10.163 1.00 0.00 N ATOM 257 CA ASN A 41 -4.667 -4.797 -11.137 1.00 0.00 C ATOM 258 C ASN A 41 -3.811 -4.123 -12.225 1.00 0.00 C ATOM 259 O ASN A 41 -3.691 -4.662 -13.325 1.00 0.00 O ATOM 260 CB ASN A 41 -5.813 -5.671 -11.666 1.00 0.00 C ATOM 261 CG ASN A 41 -6.061 -6.843 -10.739 1.00 0.00 C ATOM 262 OD1 ASN A 41 -5.342 -7.833 -10.758 1.00 0.00 O ATOM 263 ND2 ASN A 41 -7.030 -6.718 -9.858 1.00 0.00 N ATOM 0 H ASN A 41 -4.997 -4.132 -9.201 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.949 -5.456 -10.648 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.720 -5.074 -11.757 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.569 -6.035 -12.664 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.194 -7.455 -9.172 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.617 -5.884 -9.861 1.00 0.00 H new ATOM 270 N GLY A 42 -3.187 -2.982 -11.928 1.00 0.00 N ATOM 271 CA GLY A 42 -2.176 -2.316 -12.739 1.00 0.00 C ATOM 272 C GLY A 42 -0.875 -2.211 -11.943 1.00 0.00 C ATOM 273 O GLY A 42 -0.891 -2.160 -10.708 1.00 0.00 O ATOM 0 H GLY A 42 -3.387 -2.473 -11.067 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.008 -2.874 -13.660 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.521 -1.323 -13.026 1.00 0.00 H new ATOM 277 N TYR A 43 0.263 -2.205 -12.632 1.00 0.00 N ATOM 278 CA TYR A 43 1.572 -2.139 -11.994 1.00 0.00 C ATOM 279 C TYR A 43 1.846 -0.722 -11.503 1.00 0.00 C ATOM 280 O TYR A 43 1.488 0.243 -12.180 1.00 0.00 O ATOM 281 CB TYR A 43 2.640 -2.583 -12.999 1.00 0.00 C ATOM 282 CG TYR A 43 4.065 -2.306 -12.566 1.00 0.00 C ATOM 283 CD1 TYR A 43 4.596 -2.977 -11.452 1.00 0.00 C ATOM 284 CD2 TYR A 43 4.853 -1.368 -13.260 1.00 0.00 C ATOM 285 CE1 TYR A 43 5.912 -2.720 -11.040 1.00 0.00 C ATOM 286 CE2 TYR A 43 6.173 -1.105 -12.851 1.00 0.00 C ATOM 287 CZ TYR A 43 6.712 -1.790 -11.739 1.00 0.00 C ATOM 288 OH TYR A 43 7.998 -1.560 -11.357 1.00 0.00 O ATOM 0 H TYR A 43 0.302 -2.246 -13.650 1.00 0.00 H new ATOM 0 HA TYR A 43 1.596 -2.804 -11.131 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.530 -3.652 -13.178 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.458 -2.080 -13.949 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.991 -3.691 -10.913 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.441 -0.847 -14.112 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.316 -3.237 -10.182 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.772 -0.382 -13.385 1.00 0.00 H new ATOM 0 HH TYR A 43 8.349 -2.351 -10.897 1.00 0.00 H new ATOM 298 N MET A 44 2.541 -0.593 -10.368 1.00 0.00 N ATOM 299 CA MET A 44 3.009 0.695 -9.867 1.00 0.00 C ATOM 300 C MET A 44 4.518 0.673 -9.721 1.00 0.00 C ATOM 301 O MET A 44 5.211 1.434 -10.396 1.00 0.00 O ATOM 302 CB MET A 44 2.311 1.083 -8.554 1.00 0.00 C ATOM 303 CG MET A 44 0.804 1.217 -8.770 1.00 0.00 C ATOM 304 SD MET A 44 0.367 2.483 -9.991 1.00 0.00 S ATOM 305 CE MET A 44 -1.273 1.848 -10.346 1.00 0.00 C ATOM 0 H MET A 44 2.793 -1.382 -9.773 1.00 0.00 H new ATOM 0 HA MET A 44 2.746 1.465 -10.592 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.510 0.329 -7.793 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.717 2.024 -8.184 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.403 0.256 -9.093 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.327 1.458 -7.820 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.663 2.328 -11.243 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.220 0.771 -10.505 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.934 2.058 -9.506 1.00 0.00 H new ATOM 315 N ALA A 45 5.038 -0.159 -8.820 1.00 0.00 N ATOM 316 CA ALA A 45 6.472 -0.225 -8.544 1.00 0.00 C ATOM 317 C ALA A 45 6.891 -1.609 -8.066 1.00 0.00 C ATOM 318 O ALA A 45 6.048 -2.456 -7.788 1.00 0.00 O ATOM 319 CB ALA A 45 6.848 0.836 -7.502 1.00 0.00 C ATOM 0 H ALA A 45 4.479 -0.805 -8.262 1.00 0.00 H new ATOM 0 HA ALA A 45 7.005 -0.026 -9.474 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.918 0.784 -7.299 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.599 1.826 -7.885 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.295 0.654 -6.581 1.00 0.00 H new ATOM 325 N THR A 46 8.198 -1.814 -7.930 1.00 0.00 N ATOM 326 CA THR A 46 8.809 -3.034 -7.421 1.00 0.00 C ATOM 327 C THR A 46 9.767 -2.561 -6.329 1.00 0.00 C ATOM 328 O THR A 46 10.791 -1.958 -6.659 1.00 0.00 O ATOM 329 CB THR A 46 9.535 -3.789 -8.559 1.00 0.00 C ATOM 330 OG1 THR A 46 8.873 -3.640 -9.802 1.00 0.00 O ATOM 331 CG2 THR A 46 9.743 -5.275 -8.275 1.00 0.00 C ATOM 0 H THR A 46 8.887 -1.105 -8.182 1.00 0.00 H new ATOM 0 HA THR A 46 8.082 -3.742 -7.023 1.00 0.00 H new ATOM 0 HB THR A 46 10.519 -3.323 -8.613 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.064 -4.193 -9.810 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.258 -5.738 -9.117 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.344 -5.392 -7.373 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.776 -5.757 -8.132 1.00 0.00 H new ATOM 339 N ARG A 47 9.406 -2.679 -5.050 1.00 0.00 N ATOM 340 CA ARG A 47 10.193 -2.222 -3.895 1.00 0.00 C ATOM 341 C ARG A 47 9.867 -3.144 -2.717 1.00 0.00 C ATOM 342 O ARG A 47 8.838 -3.817 -2.763 1.00 0.00 O ATOM 343 CB ARG A 47 9.839 -0.761 -3.542 1.00 0.00 C ATOM 344 CG ARG A 47 10.256 0.310 -4.562 1.00 0.00 C ATOM 345 CD ARG A 47 11.782 0.434 -4.750 1.00 0.00 C ATOM 346 NE ARG A 47 12.140 1.557 -5.640 1.00 0.00 N ATOM 347 CZ ARG A 47 11.866 1.664 -6.946 1.00 0.00 C ATOM 348 NH1 ARG A 47 11.317 0.657 -7.611 1.00 0.00 N ATOM 349 NH2 ARG A 47 12.124 2.800 -7.579 1.00 0.00 N ATOM 0 H ARG A 47 8.524 -3.112 -4.776 1.00 0.00 H new ATOM 0 HA ARG A 47 11.258 -2.258 -4.126 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.760 -0.696 -3.400 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.301 -0.519 -2.585 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.799 0.079 -5.524 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.859 1.274 -4.244 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.257 0.575 -3.779 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.173 -0.495 -5.164 1.00 0.00 H new ATOM 0 HE ARG A 47 12.649 2.332 -5.215 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.098 -0.214 -7.128 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.114 0.753 -8.606 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.529 3.586 -7.071 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.917 2.888 -8.574 1.00 0.00 H new ATOM 363 N ASP A 48 10.729 -3.216 -1.698 1.00 0.00 N ATOM 364 CA ASP A 48 10.552 -4.040 -0.492 1.00 0.00 C ATOM 365 C ASP A 48 9.354 -3.469 0.258 1.00 0.00 C ATOM 366 O ASP A 48 9.219 -2.243 0.323 1.00 0.00 O ATOM 367 CB ASP A 48 11.814 -4.086 0.391 1.00 0.00 C ATOM 368 CG ASP A 48 13.010 -4.599 -0.414 1.00 0.00 C ATOM 369 OD1 ASP A 48 13.237 -5.828 -0.482 1.00 0.00 O ATOM 370 OD2 ASP A 48 13.590 -3.755 -1.139 1.00 0.00 O ATOM 0 H ASP A 48 11.600 -2.685 -1.687 1.00 0.00 H new ATOM 0 HA ASP A 48 10.376 -5.078 -0.774 1.00 0.00 H new ATOM 0 HB2 ASP A 48 12.030 -3.091 0.780 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.641 -4.734 1.250 1.00 0.00 H new ATOM 376 N VAL A 49 8.479 -4.319 0.794 1.00 0.00 N ATOM 377 CA VAL A 49 7.243 -3.922 1.460 1.00 0.00 C ATOM 378 C VAL A 49 7.066 -4.803 2.698 1.00 0.00 C ATOM 379 O VAL A 49 7.409 -5.986 2.674 1.00 0.00 O ATOM 380 CB VAL A 49 6.026 -4.051 0.510 1.00 0.00 C ATOM 381 CG1 VAL A 49 4.949 -3.021 0.887 1.00 0.00 C ATOM 382 CG2 VAL A 49 6.334 -3.861 -0.983 1.00 0.00 C ATOM 0 H VAL A 49 8.616 -5.330 0.776 1.00 0.00 H new ATOM 0 HA VAL A 49 7.304 -2.874 1.753 1.00 0.00 H new ATOM 0 HB VAL A 49 5.691 -5.080 0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.098 -3.121 0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.622 -3.195 1.912 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.362 -2.016 0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.416 -3.971 -1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.748 -2.866 -1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.057 -4.611 -1.304 1.00 0.00 H new ATOM 392 N THR A 50 6.514 -4.245 3.769 1.00 0.00 N ATOM 393 CA THR A 50 6.287 -4.934 5.033 1.00 0.00 C ATOM 394 C THR A 50 4.788 -5.178 5.187 1.00 0.00 C ATOM 395 O THR A 50 3.980 -4.401 4.674 1.00 0.00 O ATOM 396 CB THR A 50 6.911 -4.082 6.150 1.00 0.00 C ATOM 397 OG1 THR A 50 8.307 -4.056 5.929 1.00 0.00 O ATOM 398 CG2 THR A 50 6.635 -4.584 7.568 1.00 0.00 C ATOM 0 H THR A 50 6.203 -3.274 3.782 1.00 0.00 H new ATOM 0 HA THR A 50 6.762 -5.914 5.078 1.00 0.00 H new ATOM 0 HB THR A 50 6.453 -3.094 6.099 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.738 -3.518 6.625 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.114 -3.921 8.288 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.560 -4.597 7.746 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.034 -5.592 7.681 1.00 0.00 H new ATOM 406 N PHE A 51 4.384 -6.272 5.828 1.00 0.00 N ATOM 407 CA PHE A 51 3.017 -6.609 6.174 1.00 0.00 C ATOM 408 C PHE A 51 2.969 -7.469 7.436 1.00 0.00 C ATOM 409 O PHE A 51 3.896 -8.227 7.721 1.00 0.00 O ATOM 410 CB PHE A 51 2.379 -7.388 5.023 1.00 0.00 C ATOM 411 CG PHE A 51 3.180 -8.591 4.592 1.00 0.00 C ATOM 412 CD1 PHE A 51 4.399 -8.461 3.897 1.00 0.00 C ATOM 413 CD2 PHE A 51 2.700 -9.852 4.944 1.00 0.00 C ATOM 414 CE1 PHE A 51 5.161 -9.600 3.604 1.00 0.00 C ATOM 415 CE2 PHE A 51 3.414 -11.000 4.561 1.00 0.00 C ATOM 416 CZ PHE A 51 4.646 -10.866 3.904 1.00 0.00 C ATOM 0 H PHE A 51 5.046 -6.985 6.135 1.00 0.00 H new ATOM 0 HA PHE A 51 2.472 -5.683 6.356 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.383 -7.714 5.324 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.253 -6.721 4.170 1.00 0.00 H new ATOM 0 HD1 PHE A 51 4.745 -7.485 3.591 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.784 -9.946 5.508 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.136 -9.502 3.151 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.016 -11.982 4.772 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.203 -11.749 3.627 1.00 0.00 H new ATOM 426 N ASN A 52 1.867 -7.361 8.177 1.00 0.00 N ATOM 427 CA ASN A 52 1.658 -7.965 9.493 1.00 0.00 C ATOM 428 C ASN A 52 0.168 -8.178 9.672 1.00 0.00 C ATOM 429 O ASN A 52 -0.611 -7.616 8.904 1.00 0.00 O ATOM 430 CB ASN A 52 2.103 -7.034 10.627 1.00 0.00 C ATOM 431 CG ASN A 52 3.490 -6.469 10.409 1.00 0.00 C ATOM 432 OD1 ASN A 52 4.477 -7.014 10.882 1.00 0.00 O ATOM 433 ND2 ASN A 52 3.573 -5.388 9.649 1.00 0.00 N ATOM 0 H ASN A 52 1.058 -6.825 7.862 1.00 0.00 H new ATOM 0 HA ASN A 52 2.235 -8.888 9.537 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.391 -6.214 10.718 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.082 -7.581 11.570 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.484 -4.981 9.439 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.726 -4.963 9.273 1.00 0.00 H new ATOM 440 N THR A 53 -0.248 -8.948 10.670 1.00 0.00 N ATOM 441 CA THR A 53 -1.644 -9.311 10.828 1.00 0.00 C ATOM 442 C THR A 53 -2.487 -8.065 11.177 1.00 0.00 C ATOM 443 O THR A 53 -1.979 -7.086 11.732 1.00 0.00 O ATOM 444 CB THR A 53 -1.731 -10.529 11.767 1.00 0.00 C ATOM 445 OG1 THR A 53 -0.644 -11.406 11.496 1.00 0.00 O ATOM 446 CG2 THR A 53 -3.010 -11.309 11.485 1.00 0.00 C ATOM 0 H THR A 53 0.369 -9.334 11.385 1.00 0.00 H new ATOM 0 HA THR A 53 -2.103 -9.651 9.900 1.00 0.00 H new ATOM 0 HB THR A 53 -1.712 -10.176 12.798 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.830 -12.287 11.883 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.066 -12.169 12.152 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.873 -10.664 11.651 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.006 -11.652 10.450 1.00 0.00 H new ATOM 454 N GLY A 54 -3.751 -8.045 10.758 1.00 0.00 N ATOM 455 CA GLY A 54 -4.672 -6.920 10.828 1.00 0.00 C ATOM 456 C GLY A 54 -6.027 -7.406 10.352 1.00 0.00 C ATOM 457 O GLY A 54 -6.733 -8.081 11.103 1.00 0.00 O ATOM 0 H GLY A 54 -4.183 -8.867 10.335 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.738 -6.542 11.848 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.320 -6.098 10.205 1.00 0.00 H new ATOM 461 N ASP A 55 -6.389 -7.104 9.109 1.00 0.00 N ATOM 462 CA ASP A 55 -7.573 -7.674 8.493 1.00 0.00 C ATOM 463 C ASP A 55 -7.408 -7.751 6.980 1.00 0.00 C ATOM 464 O ASP A 55 -7.319 -6.725 6.299 1.00 0.00 O ATOM 465 CB ASP A 55 -8.820 -6.876 8.857 1.00 0.00 C ATOM 466 CG ASP A 55 -10.040 -7.758 8.579 1.00 0.00 C ATOM 467 OD1 ASP A 55 -10.332 -8.085 7.406 1.00 0.00 O ATOM 468 OD2 ASP A 55 -10.619 -8.254 9.574 1.00 0.00 O ATOM 0 H ASP A 55 -5.872 -6.462 8.508 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.697 -8.686 8.878 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.792 -6.582 9.906 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.871 -5.959 8.271 1.00 0.00 H new ATOM 474 N SER A 56 -7.314 -8.979 6.480 1.00 0.00 N ATOM 475 CA SER A 56 -7.574 -9.385 5.110 1.00 0.00 C ATOM 476 C SER A 56 -7.792 -10.906 5.157 1.00 0.00 C ATOM 477 O SER A 56 -7.893 -11.482 6.249 1.00 0.00 O ATOM 478 CB SER A 56 -6.431 -8.941 4.177 1.00 0.00 C ATOM 479 OG SER A 56 -6.967 -8.425 2.972 1.00 0.00 O ATOM 0 H SER A 56 -7.035 -9.768 7.064 1.00 0.00 H new ATOM 0 HA SER A 56 -8.459 -8.906 4.692 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.822 -8.182 4.669 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.776 -9.785 3.962 1.00 0.00 H new ATOM 0 HG SER A 56 -6.262 -7.963 2.472 1.00 0.00 H new ATOM 485 N GLU A 57 -7.843 -11.577 4.004 1.00 0.00 N ATOM 486 CA GLU A 57 -8.019 -13.024 3.883 1.00 0.00 C ATOM 487 C GLU A 57 -7.022 -13.790 4.761 1.00 0.00 C ATOM 488 O GLU A 57 -7.405 -14.550 5.649 1.00 0.00 O ATOM 489 CB GLU A 57 -7.883 -13.374 2.390 1.00 0.00 C ATOM 490 CG GLU A 57 -8.018 -14.867 2.079 1.00 0.00 C ATOM 491 CD GLU A 57 -9.324 -15.483 2.574 1.00 0.00 C ATOM 492 OE1 GLU A 57 -10.350 -14.769 2.668 1.00 0.00 O ATOM 493 OE2 GLU A 57 -9.312 -16.689 2.906 1.00 0.00 O ATOM 0 H GLU A 57 -7.760 -11.112 3.100 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.003 -13.325 4.243 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.642 -12.828 1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.913 -13.027 2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.944 -15.012 1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.181 -15.400 2.531 1.00 0.00 H new ATOM 501 N GLN A 58 -5.732 -13.533 4.541 1.00 0.00 N ATOM 502 CA GLN A 58 -4.623 -14.114 5.290 1.00 0.00 C ATOM 503 C GLN A 58 -4.413 -13.408 6.638 1.00 0.00 C ATOM 504 O GLN A 58 -3.328 -13.493 7.208 1.00 0.00 O ATOM 505 CB GLN A 58 -3.359 -14.050 4.420 1.00 0.00 C ATOM 506 CG GLN A 58 -3.480 -14.857 3.121 1.00 0.00 C ATOM 507 CD GLN A 58 -2.211 -14.730 2.292 1.00 0.00 C ATOM 508 OE1 GLN A 58 -1.426 -15.659 2.198 1.00 0.00 O ATOM 509 NE2 GLN A 58 -1.955 -13.580 1.691 1.00 0.00 N ATOM 0 H GLN A 58 -5.423 -12.892 3.810 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.854 -15.153 5.524 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.146 -13.009 4.175 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.511 -14.423 4.994 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.665 -15.906 3.354 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.335 -14.503 2.545 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.613 -12.805 1.771 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.099 -13.468 1.147 1.00 0.00 H new ATOM 518 N GLY A 59 -5.373 -12.609 7.105 1.00 0.00 N ATOM 519 CA GLY A 59 -5.249 -11.750 8.276 1.00 0.00 C ATOM 520 C GLY A 59 -4.332 -10.556 8.018 1.00 0.00 C ATOM 521 O GLY A 59 -4.581 -9.470 8.525 1.00 0.00 O ATOM 0 H GLY A 59 -6.289 -12.542 6.661 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.236 -11.392 8.569 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.860 -12.331 9.112 1.00 0.00 H new ATOM 525 N ILE A 60 -3.273 -10.734 7.234 1.00 0.00 N ATOM 526 CA ILE A 60 -2.189 -9.794 7.056 1.00 0.00 C ATOM 527 C ILE A 60 -2.514 -8.663 6.099 1.00 0.00 C ATOM 528 O ILE A 60 -3.262 -8.824 5.131 1.00 0.00 O ATOM 529 CB ILE A 60 -0.918 -10.522 6.606 1.00 0.00 C ATOM 530 CG1 ILE A 60 -1.168 -11.520 5.463 1.00 0.00 C ATOM 531 CG2 ILE A 60 -0.268 -11.249 7.783 1.00 0.00 C ATOM 532 CD1 ILE A 60 0.082 -11.781 4.639 1.00 0.00 C ATOM 0 H ILE A 60 -3.149 -11.582 6.681 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.025 -9.333 8.030 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.246 -9.752 6.226 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.529 -12.461 5.878 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.954 -11.135 4.814 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.633 -11.760 7.443 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.006 -10.527 8.556 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.967 -11.979 8.190 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.147 -12.492 3.845 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.430 -10.846 4.199 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.861 -12.192 5.280 1.00 0.00 H new ATOM 544 N VAL A 61 -1.863 -7.535 6.378 1.00 0.00 N ATOM 545 CA VAL A 61 -2.019 -6.274 5.695 1.00 0.00 C ATOM 546 C VAL A 61 -0.666 -5.595 5.537 1.00 0.00 C ATOM 547 O VAL A 61 0.176 -5.715 6.429 1.00 0.00 O ATOM 548 CB VAL A 61 -2.969 -5.368 6.514 1.00 0.00 C ATOM 549 CG1 VAL A 61 -4.347 -6.017 6.640 1.00 0.00 C ATOM 550 CG2 VAL A 61 -2.463 -5.034 7.941 1.00 0.00 C ATOM 0 H VAL A 61 -1.177 -7.485 7.131 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.441 -6.447 4.705 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.015 -4.432 5.957 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.004 -5.367 7.219 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.770 -6.169 5.647 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.252 -6.979 7.144 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.189 -4.395 8.444 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.337 -5.957 8.508 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.507 -4.515 7.876 1.00 0.00 H new ATOM 560 N PRO A 62 -0.433 -4.844 4.451 1.00 0.00 N ATOM 561 CA PRO A 62 0.810 -4.129 4.259 1.00 0.00 C ATOM 562 C PRO A 62 0.873 -2.870 5.125 1.00 0.00 C ATOM 563 O PRO A 62 -0.139 -2.186 5.330 1.00 0.00 O ATOM 564 CB PRO A 62 0.845 -3.808 2.767 1.00 0.00 C ATOM 565 CG PRO A 62 -0.630 -3.603 2.436 1.00 0.00 C ATOM 566 CD PRO A 62 -1.288 -4.681 3.290 1.00 0.00 C ATOM 0 HA PRO A 62 1.676 -4.717 4.562 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.435 -2.916 2.558 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.281 -4.622 2.187 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -0.974 -2.603 2.701 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -0.835 -3.740 1.374 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.295 -4.386 3.585 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.379 -5.616 2.737 1.00 0.00 H new ATOM 574 N CYS A 63 2.092 -2.529 5.545 1.00 0.00 N ATOM 575 CA CYS A 63 2.485 -1.169 5.853 1.00 0.00 C ATOM 576 C CYS A 63 2.499 -0.422 4.519 1.00 0.00 C ATOM 577 O CYS A 63 3.304 -0.735 3.643 1.00 0.00 O ATOM 578 CB CYS A 63 3.853 -1.107 6.538 1.00 0.00 C ATOM 579 SG CYS A 63 4.264 0.552 7.144 1.00 0.00 S ATOM 0 H CYS A 63 2.841 -3.208 5.680 1.00 0.00 H new ATOM 0 HA CYS A 63 1.787 -0.716 6.558 1.00 0.00 H new ATOM 0 HB2 CYS A 63 3.868 -1.807 7.373 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.620 -1.432 5.836 1.00 0.00 H new ATOM 0 HG CYS A 63 5.433 0.529 7.713 1.00 0.00 H new ATOM 585 N LEU A 64 1.583 0.527 4.337 1.00 0.00 N ATOM 586 CA LEU A 64 1.516 1.458 3.223 1.00 0.00 C ATOM 587 C LEU A 64 1.309 2.826 3.847 1.00 0.00 C ATOM 588 O LEU A 64 0.620 2.947 4.862 1.00 0.00 O ATOM 589 CB LEU A 64 0.343 1.150 2.271 1.00 0.00 C ATOM 590 CG LEU A 64 0.414 -0.219 1.576 1.00 0.00 C ATOM 591 CD1 LEU A 64 -0.861 -0.480 0.764 1.00 0.00 C ATOM 592 CD2 LEU A 64 1.621 -0.348 0.643 1.00 0.00 C ATOM 0 H LEU A 64 0.826 0.671 5.005 1.00 0.00 H new ATOM 0 HA LEU A 64 2.425 1.393 2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.588 1.207 2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.301 1.927 1.507 1.00 0.00 H new ATOM 0 HG LEU A 64 0.517 -0.957 2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.791 -1.454 0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.725 -0.466 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.974 0.295 0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.619 -1.335 0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.565 0.416 -0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.539 -0.217 1.216 1.00 0.00 H new ATOM 604 N THR A 65 1.877 3.857 3.235 1.00 0.00 N ATOM 605 CA THR A 65 1.839 5.204 3.774 1.00 0.00 C ATOM 606 C THR A 65 1.259 6.145 2.722 1.00 0.00 C ATOM 607 O THR A 65 1.128 5.762 1.556 1.00 0.00 O ATOM 608 CB THR A 65 3.239 5.586 4.279 1.00 0.00 C ATOM 609 OG1 THR A 65 4.143 5.692 3.198 1.00 0.00 O ATOM 610 CG2 THR A 65 3.795 4.538 5.253 1.00 0.00 C ATOM 0 H THR A 65 2.377 3.779 2.349 1.00 0.00 H new ATOM 0 HA THR A 65 1.180 5.278 4.639 1.00 0.00 H new ATOM 0 HB THR A 65 3.138 6.543 4.792 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.062 5.644 3.534 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.786 4.843 5.588 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.131 4.452 6.113 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.863 3.573 4.750 1.00 0.00 H new ATOM 618 N ARG A 66 0.920 7.384 3.090 1.00 0.00 N ATOM 619 CA ARG A 66 0.449 8.418 2.164 1.00 0.00 C ATOM 620 C ARG A 66 1.362 8.503 0.948 1.00 0.00 C ATOM 621 O ARG A 66 0.864 8.586 -0.174 1.00 0.00 O ATOM 622 CB ARG A 66 0.440 9.779 2.891 1.00 0.00 C ATOM 623 CG ARG A 66 -0.786 10.003 3.787 1.00 0.00 C ATOM 624 CD ARG A 66 -0.597 11.039 4.913 1.00 0.00 C ATOM 625 NE ARG A 66 0.283 12.173 4.571 1.00 0.00 N ATOM 626 CZ ARG A 66 -0.006 13.192 3.756 1.00 0.00 C ATOM 627 NH1 ARG A 66 -1.218 13.254 3.205 1.00 0.00 N ATOM 628 NH2 ARG A 66 0.899 14.125 3.482 1.00 0.00 N ATOM 0 H ARG A 66 0.966 7.702 4.058 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.556 8.163 1.829 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.341 9.860 3.499 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.484 10.576 2.148 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.620 10.319 3.161 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.067 9.050 4.236 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.575 11.429 5.196 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.190 10.533 5.788 1.00 0.00 H new ATOM 0 HE ARG A 66 1.208 12.180 5.001 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.908 12.531 3.408 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.456 14.025 2.581 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.830 14.070 3.896 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.663 14.897 2.858 1.00 0.00 H new ATOM 642 N ALA A 67 2.674 8.451 1.185 1.00 0.00 N ATOM 643 CA ALA A 67 3.706 8.393 0.168 1.00 0.00 C ATOM 644 C ALA A 67 3.396 7.300 -0.854 1.00 0.00 C ATOM 645 O ALA A 67 3.231 7.573 -2.044 1.00 0.00 O ATOM 646 CB ALA A 67 5.052 8.131 0.849 1.00 0.00 C ATOM 0 H ALA A 67 3.054 8.448 2.132 1.00 0.00 H new ATOM 0 HA ALA A 67 3.746 9.342 -0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.838 8.085 0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.268 8.937 1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.009 7.184 1.387 1.00 0.00 H new ATOM 652 N GLN A 68 3.338 6.052 -0.396 1.00 0.00 N ATOM 653 CA GLN A 68 3.166 4.896 -1.258 1.00 0.00 C ATOM 654 C GLN A 68 1.807 4.932 -1.947 1.00 0.00 C ATOM 655 O GLN A 68 1.726 4.796 -3.167 1.00 0.00 O ATOM 656 CB GLN A 68 3.385 3.613 -0.429 1.00 0.00 C ATOM 657 CG GLN A 68 4.473 2.721 -1.039 1.00 0.00 C ATOM 658 CD GLN A 68 5.760 3.483 -1.339 1.00 0.00 C ATOM 659 OE1 GLN A 68 6.204 3.525 -2.484 1.00 0.00 O ATOM 660 NE2 GLN A 68 6.353 4.130 -0.351 1.00 0.00 N ATOM 0 H GLN A 68 3.410 5.817 0.594 1.00 0.00 H new ATOM 0 HA GLN A 68 3.908 4.910 -2.056 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.664 3.882 0.590 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.450 3.056 -0.367 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.692 1.902 -0.354 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.097 2.275 -1.960 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.969 4.083 0.593 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.195 4.677 -0.532 1.00 0.00 H new ATOM 669 N LEU A 69 0.740 5.158 -1.181 1.00 0.00 N ATOM 670 CA LEU A 69 -0.627 5.123 -1.672 1.00 0.00 C ATOM 671 C LEU A 69 -0.812 6.109 -2.827 1.00 0.00 C ATOM 672 O LEU A 69 -1.348 5.754 -3.877 1.00 0.00 O ATOM 673 CB LEU A 69 -1.604 5.396 -0.514 1.00 0.00 C ATOM 674 CG LEU A 69 -1.649 4.294 0.574 1.00 0.00 C ATOM 675 CD1 LEU A 69 -2.647 4.646 1.682 1.00 0.00 C ATOM 676 CD2 LEU A 69 -2.056 2.925 0.020 1.00 0.00 C ATOM 0 H LEU A 69 0.808 5.374 -0.186 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.845 4.130 -2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.332 6.340 -0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.606 5.522 -0.925 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.633 4.240 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.655 3.853 2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.353 5.585 2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.644 4.751 1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.070 2.195 0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.049 2.993 -0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.339 2.612 -0.739 1.00 0.00 H new ATOM 688 N ALA A 70 -0.336 7.342 -2.667 1.00 0.00 N ATOM 689 CA ALA A 70 -0.374 8.350 -3.714 1.00 0.00 C ATOM 690 C ALA A 70 0.409 7.950 -4.970 1.00 0.00 C ATOM 691 O ALA A 70 0.026 8.350 -6.072 1.00 0.00 O ATOM 692 CB ALA A 70 0.201 9.641 -3.154 1.00 0.00 C ATOM 0 H ALA A 70 0.089 7.668 -1.799 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.413 8.469 -4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.182 10.412 -3.924 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.395 9.965 -2.301 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.229 9.473 -2.834 1.00 0.00 H new ATOM 698 N SER A 71 1.465 7.142 -4.839 1.00 0.00 N ATOM 699 CA SER A 71 2.221 6.617 -5.972 1.00 0.00 C ATOM 700 C SER A 71 1.346 5.667 -6.801 1.00 0.00 C ATOM 701 O SER A 71 1.481 5.609 -8.028 1.00 0.00 O ATOM 702 CB SER A 71 3.491 5.917 -5.462 1.00 0.00 C ATOM 703 OG SER A 71 4.551 6.021 -6.396 1.00 0.00 O ATOM 0 H SER A 71 1.820 6.833 -3.934 1.00 0.00 H new ATOM 0 HA SER A 71 2.522 7.437 -6.624 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.796 6.359 -4.513 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.276 4.866 -5.269 1.00 0.00 H new ATOM 0 HG SER A 71 5.345 5.568 -6.042 1.00 0.00 H new ATOM 709 N MET A 72 0.409 4.971 -6.149 1.00 0.00 N ATOM 710 CA MET A 72 -0.602 4.120 -6.767 1.00 0.00 C ATOM 711 C MET A 72 -1.816 4.935 -7.229 1.00 0.00 C ATOM 712 O MET A 72 -2.704 4.400 -7.885 1.00 0.00 O ATOM 713 CB MET A 72 -1.048 3.032 -5.781 1.00 0.00 C ATOM 714 CG MET A 72 0.106 2.259 -5.142 1.00 0.00 C ATOM 715 SD MET A 72 -0.035 1.883 -3.385 1.00 0.00 S ATOM 716 CE MET A 72 1.710 1.486 -3.154 1.00 0.00 C ATOM 0 H MET A 72 0.335 4.989 -5.132 1.00 0.00 H new ATOM 0 HA MET A 72 -0.155 3.654 -7.645 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.643 3.493 -4.993 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.698 2.329 -6.302 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.224 1.319 -5.681 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.022 2.830 -5.294 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.915 1.351 -2.092 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.948 0.567 -3.689 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.323 2.300 -3.541 1.00 0.00 H new ATOM 726 N GLY A 73 -1.863 6.226 -6.897 1.00 0.00 N ATOM 727 CA GLY A 73 -2.844 7.168 -7.422 1.00 0.00 C ATOM 728 C GLY A 73 -3.993 7.449 -6.461 1.00 0.00 C ATOM 729 O GLY A 73 -4.992 8.028 -6.884 1.00 0.00 O ATOM 0 H GLY A 73 -1.206 6.651 -6.243 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.343 8.106 -7.661 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.249 6.776 -8.355 1.00 0.00 H new ATOM 733 N LEU A 74 -3.893 7.033 -5.196 1.00 0.00 N ATOM 734 CA LEU A 74 -4.888 7.241 -4.142 1.00 0.00 C ATOM 735 C LEU A 74 -4.867 8.678 -3.639 1.00 0.00 C ATOM 736 O LEU A 74 -3.797 9.204 -3.329 1.00 0.00 O ATOM 737 CB LEU A 74 -4.544 6.275 -3.020 1.00 0.00 C ATOM 738 CG LEU A 74 -5.189 6.409 -1.631 1.00 0.00 C ATOM 739 CD1 LEU A 74 -4.442 7.389 -0.722 1.00 0.00 C ATOM 740 CD2 LEU A 74 -6.687 6.634 -1.465 1.00 0.00 C ATOM 0 H LEU A 74 -3.078 6.518 -4.864 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.893 7.059 -4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.772 5.272 -3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.465 6.325 -2.876 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.077 5.367 -1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.943 7.443 0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.417 7.046 -0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.434 8.377 -1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.930 6.700 -0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.973 7.562 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.232 5.802 -1.911 1.00 0.00 H new ATOM 752 N ASN A 75 -6.039 9.306 -3.506 1.00 0.00 N ATOM 753 CA ASN A 75 -6.177 10.656 -2.971 1.00 0.00 C ATOM 754 C ASN A 75 -6.180 10.618 -1.447 1.00 0.00 C ATOM 755 O ASN A 75 -7.223 10.427 -0.816 1.00 0.00 O ATOM 756 CB ASN A 75 -7.444 11.381 -3.434 1.00 0.00 C ATOM 757 CG ASN A 75 -7.346 12.871 -3.119 1.00 0.00 C ATOM 758 OD1 ASN A 75 -6.515 13.321 -2.334 1.00 0.00 O ATOM 759 ND2 ASN A 75 -8.146 13.681 -3.775 1.00 0.00 N ATOM 0 H ASN A 75 -6.928 8.882 -3.772 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.322 11.211 -3.356 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.583 11.237 -4.506 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.317 10.954 -2.940 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.079 14.689 -3.634 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.834 13.302 -4.426 1.00 0.00 H new ATOM 766 N THR A 76 -5.026 10.856 -0.844 1.00 0.00 N ATOM 767 CA THR A 76 -4.863 10.876 0.603 1.00 0.00 C ATOM 768 C THR A 76 -5.700 11.971 1.280 1.00 0.00 C ATOM 769 O THR A 76 -5.994 11.866 2.469 1.00 0.00 O ATOM 770 CB THR A 76 -3.368 11.044 0.896 1.00 0.00 C ATOM 771 OG1 THR A 76 -2.909 12.281 0.369 1.00 0.00 O ATOM 772 CG2 THR A 76 -2.445 9.998 0.267 1.00 0.00 C ATOM 0 H THR A 76 -4.162 11.044 -1.353 1.00 0.00 H new ATOM 0 HA THR A 76 -5.232 9.939 1.022 1.00 0.00 H new ATOM 0 HB THR A 76 -3.313 10.958 1.981 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.953 12.384 0.561 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.412 10.214 0.539 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.717 9.007 0.631 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.548 10.027 -0.818 1.00 0.00 H new ATOM 780 N ALA A 77 -6.117 13.007 0.540 1.00 0.00 N ATOM 781 CA ALA A 77 -6.979 14.056 1.061 1.00 0.00 C ATOM 782 C ALA A 77 -8.464 13.711 0.958 1.00 0.00 C ATOM 783 O ALA A 77 -9.288 14.233 1.717 1.00 0.00 O ATOM 784 CB ALA A 77 -6.609 15.392 0.411 1.00 0.00 C ATOM 0 H ALA A 77 -5.861 13.134 -0.439 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.806 14.150 2.133 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.255 16.178 0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.570 15.631 0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.738 15.319 -0.669 1.00 0.00 H new ATOM 790 N SER A 78 -8.817 12.768 0.085 1.00 0.00 N ATOM 791 CA SER A 78 -10.181 12.275 0.009 1.00 0.00 C ATOM 792 C SER A 78 -10.499 11.451 1.257 1.00 0.00 C ATOM 793 O SER A 78 -11.588 11.579 1.814 1.00 0.00 O ATOM 794 CB SER A 78 -10.354 11.487 -1.281 1.00 0.00 C ATOM 795 OG SER A 78 -11.726 11.297 -1.565 1.00 0.00 O ATOM 0 H SER A 78 -8.174 12.334 -0.577 1.00 0.00 H new ATOM 0 HA SER A 78 -10.892 13.101 -0.015 1.00 0.00 H new ATOM 0 HB2 SER A 78 -9.876 12.017 -2.105 1.00 0.00 H new ATOM 0 HB3 SER A 78 -9.858 10.521 -1.193 1.00 0.00 H new ATOM 0 HG SER A 78 -11.820 10.780 -2.392 1.00 0.00 H new ATOM 801 N VAL A 79 -9.535 10.668 1.746 1.00 0.00 N ATOM 802 CA VAL A 79 -9.719 9.832 2.919 1.00 0.00 C ATOM 803 C VAL A 79 -9.577 10.761 4.131 1.00 0.00 C ATOM 804 O VAL A 79 -8.481 11.231 4.464 1.00 0.00 O ATOM 805 CB VAL A 79 -8.714 8.667 2.895 1.00 0.00 C ATOM 806 CG1 VAL A 79 -8.975 7.690 4.039 1.00 0.00 C ATOM 807 CG2 VAL A 79 -8.776 7.868 1.579 1.00 0.00 C ATOM 0 H VAL A 79 -8.605 10.601 1.334 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.699 9.356 2.956 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.730 9.124 2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.250 6.878 3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.880 8.211 4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.982 7.283 3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.048 7.057 1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.776 7.453 1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.548 8.528 0.742 1.00 0.00 H new ATOM 817 N ALA A 80 -10.723 11.108 4.712 1.00 0.00 N ATOM 818 CA ALA A 80 -10.881 12.057 5.797 1.00 0.00 C ATOM 819 C ALA A 80 -10.211 11.537 7.055 1.00 0.00 C ATOM 820 O ALA A 80 -10.791 10.727 7.775 1.00 0.00 O ATOM 821 CB ALA A 80 -12.365 12.252 6.053 1.00 0.00 C ATOM 0 H ALA A 80 -11.614 10.708 4.417 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.416 13.004 5.525 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.503 12.964 6.867 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -12.843 12.635 5.151 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.816 11.298 6.325 1.00 0.00 H new ATOM 827 N GLY A 81 -8.982 11.971 7.309 1.00 0.00 N ATOM 828 CA GLY A 81 -8.201 11.495 8.435 1.00 0.00 C ATOM 829 C GLY A 81 -6.869 10.931 7.983 1.00 0.00 C ATOM 830 O GLY A 81 -5.897 11.111 8.711 1.00 0.00 O ATOM 0 H GLY A 81 -8.501 12.665 6.736 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.033 12.313 9.135 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.761 10.728 8.970 1.00 0.00 H new ATOM 834 N MET A 82 -6.752 10.365 6.769 1.00 0.00 N ATOM 835 CA MET A 82 -5.440 9.988 6.274 1.00 0.00 C ATOM 836 C MET A 82 -4.580 11.234 6.191 1.00 0.00 C ATOM 837 O MET A 82 -3.428 11.220 6.596 1.00 0.00 O ATOM 838 CB MET A 82 -5.527 9.348 4.895 1.00 0.00 C ATOM 839 CG MET A 82 -4.110 9.034 4.410 1.00 0.00 C ATOM 840 SD MET A 82 -3.987 8.256 2.802 1.00 0.00 S ATOM 841 CE MET A 82 -4.849 6.716 3.100 1.00 0.00 C ATOM 0 H MET A 82 -7.529 10.168 6.139 1.00 0.00 H new ATOM 0 HA MET A 82 -5.006 9.258 6.958 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.122 8.436 4.939 1.00 0.00 H new ATOM 0 HB3 MET A 82 -6.025 10.021 4.197 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.541 9.963 4.387 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.631 8.385 5.143 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.215 6.315 2.155 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.167 6.000 3.558 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.691 6.894 3.769 1.00 0.00 H new ATOM 851 N ASN A 83 -5.143 12.318 5.669 1.00 0.00 N ATOM 852 CA ASN A 83 -4.469 13.600 5.552 1.00 0.00 C ATOM 853 C ASN A 83 -4.090 14.234 6.891 1.00 0.00 C ATOM 854 O ASN A 83 -3.449 15.283 6.880 1.00 0.00 O ATOM 855 CB ASN A 83 -5.319 14.560 4.719 1.00 0.00 C ATOM 856 CG ASN A 83 -6.657 14.899 5.371 1.00 0.00 C ATOM 857 OD1 ASN A 83 -6.767 15.855 6.139 1.00 0.00 O ATOM 858 ND2 ASN A 83 -7.692 14.111 5.099 1.00 0.00 N ATOM 0 H ASN A 83 -6.098 12.328 5.310 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.523 13.404 5.048 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.759 15.481 4.554 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.501 14.117 3.740 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.599 14.293 5.529 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.580 13.324 4.460 1.00 0.00 H new ATOM 865 N LEU A 84 -4.457 13.636 8.027 1.00 0.00 N ATOM 866 CA LEU A 84 -3.998 14.075 9.338 1.00 0.00 C ATOM 867 C LEU A 84 -2.796 13.234 9.780 1.00 0.00 C ATOM 868 O LEU A 84 -2.117 13.617 10.728 1.00 0.00 O ATOM 869 CB LEU A 84 -5.142 13.964 10.367 1.00 0.00 C ATOM 870 CG LEU A 84 -6.480 14.600 9.932 1.00 0.00 C ATOM 871 CD1 LEU A 84 -7.541 14.372 11.015 1.00 0.00 C ATOM 872 CD2 LEU A 84 -6.375 16.097 9.640 1.00 0.00 C ATOM 0 H LEU A 84 -5.083 12.831 8.059 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.690 15.119 9.275 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.313 12.910 10.585 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.820 14.433 11.297 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.764 14.111 9.000 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.483 14.823 10.702 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.683 13.302 11.165 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.212 14.829 11.948 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.351 16.479 9.340 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.041 16.620 10.536 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.658 16.261 8.835 1.00 0.00 H new ATOM 884 N LEU A 85 -2.558 12.072 9.155 1.00 0.00 N ATOM 885 CA LEU A 85 -1.462 11.167 9.484 1.00 0.00 C ATOM 886 C LEU A 85 -0.187 11.716 8.854 1.00 0.00 C ATOM 887 O LEU A 85 -0.247 12.452 7.863 1.00 0.00 O ATOM 888 CB LEU A 85 -1.713 9.741 8.954 1.00 0.00 C ATOM 889 CG LEU A 85 -2.960 8.980 9.467 1.00 0.00 C ATOM 890 CD1 LEU A 85 -2.557 7.574 9.911 1.00 0.00 C ATOM 891 CD2 LEU A 85 -3.707 9.614 10.644 1.00 0.00 C ATOM 0 H LEU A 85 -3.140 11.733 8.389 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.376 11.106 10.569 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.780 9.796 7.867 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.835 9.139 9.189 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.640 8.997 8.615 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.436 7.040 10.272 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.126 7.035 9.067 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.820 7.642 10.712 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.560 8.990 10.912 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.036 9.698 11.499 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.058 10.606 10.360 1.00 0.00 H new ATOM 903 N ALA A 86 0.963 11.318 9.402 1.00 0.00 N ATOM 904 CA ALA A 86 2.235 11.831 8.936 1.00 0.00 C ATOM 905 C ALA A 86 2.522 11.388 7.505 1.00 0.00 C ATOM 906 O ALA A 86 1.954 10.419 6.994 1.00 0.00 O ATOM 907 CB ALA A 86 3.377 11.473 9.893 1.00 0.00 C ATOM 0 H ALA A 86 1.031 10.645 10.165 1.00 0.00 H new ATOM 0 HA ALA A 86 2.167 12.919 8.926 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.314 11.876 9.508 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.175 11.899 10.876 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.455 10.389 9.977 1.00 0.00 H new ATOM 913 N ASP A 87 3.428 12.126 6.876 1.00 0.00 N ATOM 914 CA ASP A 87 3.813 12.046 5.473 1.00 0.00 C ATOM 915 C ASP A 87 4.200 10.636 5.066 1.00 0.00 C ATOM 916 O ASP A 87 3.849 10.187 3.972 1.00 0.00 O ATOM 917 CB ASP A 87 4.909 13.082 5.207 1.00 0.00 C ATOM 918 CG ASP A 87 4.305 14.485 5.219 1.00 0.00 C ATOM 919 OD1 ASP A 87 3.431 14.758 4.362 1.00 0.00 O ATOM 920 OD2 ASP A 87 4.646 15.328 6.080 1.00 0.00 O ATOM 0 H ASP A 87 3.951 12.849 7.370 1.00 0.00 H new ATOM 0 HA ASP A 87 2.957 12.285 4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.688 13.004 5.965 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.381 12.887 4.244 1.00 0.00 H new ATOM 926 N ASP A 88 4.824 9.915 5.983 1.00 0.00 N ATOM 927 CA ASP A 88 5.195 8.527 5.829 1.00 0.00 C ATOM 928 C ASP A 88 4.898 7.794 7.135 1.00 0.00 C ATOM 929 O ASP A 88 5.776 7.346 7.865 1.00 0.00 O ATOM 930 CB ASP A 88 6.650 8.458 5.399 1.00 0.00 C ATOM 931 CG ASP A 88 7.070 7.008 5.171 1.00 0.00 C ATOM 932 OD1 ASP A 88 6.366 6.321 4.398 1.00 0.00 O ATOM 933 OD2 ASP A 88 8.097 6.584 5.754 1.00 0.00 O ATOM 0 H ASP A 88 5.094 10.300 6.888 1.00 0.00 H new ATOM 0 HA ASP A 88 4.615 8.029 5.052 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.793 9.033 4.484 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.283 8.911 6.162 1.00 0.00 H new ATOM 939 N ALA A 89 3.615 7.762 7.486 1.00 0.00 N ATOM 940 CA ALA A 89 3.061 6.975 8.583 1.00 0.00 C ATOM 941 C ALA A 89 2.279 5.808 8.001 1.00 0.00 C ATOM 942 O ALA A 89 1.620 5.998 6.982 1.00 0.00 O ATOM 943 CB ALA A 89 2.090 7.843 9.379 1.00 0.00 C ATOM 0 H ALA A 89 2.905 8.305 6.994 1.00 0.00 H new ATOM 0 HA ALA A 89 3.867 6.619 9.224 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.672 7.262 10.201 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.619 8.708 9.779 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.285 8.180 8.727 1.00 0.00 H new ATOM 949 N CYS A 90 2.272 4.658 8.673 1.00 0.00 N ATOM 950 CA CYS A 90 1.431 3.509 8.349 1.00 0.00 C ATOM 951 C CYS A 90 -0.043 3.945 8.320 1.00 0.00 C ATOM 952 O CYS A 90 -0.459 4.705 9.201 1.00 0.00 O ATOM 953 CB CYS A 90 1.682 2.463 9.441 1.00 0.00 C ATOM 954 SG CYS A 90 0.718 0.947 9.319 1.00 0.00 S ATOM 0 H CYS A 90 2.870 4.496 9.483 1.00 0.00 H new ATOM 0 HA CYS A 90 1.666 3.094 7.369 1.00 0.00 H new ATOM 0 HB2 CYS A 90 2.740 2.200 9.428 1.00 0.00 H new ATOM 0 HB3 CYS A 90 1.480 2.922 10.409 1.00 0.00 H new ATOM 0 HG CYS A 90 1.031 0.154 10.300 1.00 0.00 H new ATOM 960 N VAL A 91 -0.838 3.478 7.351 1.00 0.00 N ATOM 961 CA VAL A 91 -2.264 3.791 7.244 1.00 0.00 C ATOM 962 C VAL A 91 -3.026 2.490 6.927 1.00 0.00 C ATOM 963 O VAL A 91 -2.456 1.645 6.229 1.00 0.00 O ATOM 964 CB VAL A 91 -2.474 4.872 6.145 1.00 0.00 C ATOM 965 CG1 VAL A 91 -3.808 5.557 6.371 1.00 0.00 C ATOM 966 CG2 VAL A 91 -1.418 5.984 6.097 1.00 0.00 C ATOM 0 H VAL A 91 -0.502 2.863 6.609 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.648 4.196 8.180 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.410 4.323 5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.962 6.316 5.604 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.609 4.820 6.318 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.813 6.028 7.354 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.661 6.682 5.296 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.405 6.515 7.049 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.437 5.546 5.912 1.00 0.00 H new ATOM 976 N PRO A 92 -4.295 2.264 7.339 1.00 0.00 N ATOM 977 CA PRO A 92 -5.013 1.125 6.779 1.00 0.00 C ATOM 978 C PRO A 92 -5.137 1.232 5.262 1.00 0.00 C ATOM 979 O PRO A 92 -4.889 2.297 4.685 1.00 0.00 O ATOM 980 CB PRO A 92 -6.408 1.137 7.383 1.00 0.00 C ATOM 981 CG PRO A 92 -6.429 2.194 8.459 1.00 0.00 C ATOM 982 CD PRO A 92 -5.212 3.074 8.140 1.00 0.00 C ATOM 0 HA PRO A 92 -4.472 0.207 7.007 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.154 1.353 6.619 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -6.653 0.160 7.800 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.355 2.769 8.435 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.353 1.753 9.453 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.515 3.967 7.594 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.728 3.410 9.057 1.00 0.00 H new ATOM 990 N LEU A 93 -5.653 0.177 4.632 1.00 0.00 N ATOM 991 CA LEU A 93 -6.284 0.271 3.326 1.00 0.00 C ATOM 992 C LEU A 93 -7.738 -0.176 3.320 1.00 0.00 C ATOM 993 O LEU A 93 -8.516 0.483 2.641 1.00 0.00 O ATOM 994 CB LEU A 93 -5.442 -0.421 2.257 1.00 0.00 C ATOM 995 CG LEU A 93 -5.819 -0.015 0.811 1.00 0.00 C ATOM 996 CD1 LEU A 93 -5.978 1.501 0.642 1.00 0.00 C ATOM 997 CD2 LEU A 93 -4.723 -0.427 -0.171 1.00 0.00 C ATOM 0 H LEU A 93 -5.643 -0.767 5.018 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.323 1.330 3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.391 -0.189 2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.552 -1.500 2.363 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.765 -0.519 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.242 1.726 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.765 1.860 1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.039 1.995 0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.009 -0.132 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.789 0.065 0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.588 -1.508 -0.133 1.00 0.00 H new ATOM 1009 N THR A 94 -8.161 -1.113 4.166 1.00 0.00 N ATOM 1010 CA THR A 94 -9.544 -1.600 4.128 1.00 0.00 C ATOM 1011 C THR A 94 -10.431 -0.965 5.210 1.00 0.00 C ATOM 1012 O THR A 94 -11.610 -1.300 5.340 1.00 0.00 O ATOM 1013 CB THR A 94 -9.510 -3.141 4.094 1.00 0.00 C ATOM 1014 OG1 THR A 94 -10.633 -3.675 3.428 1.00 0.00 O ATOM 1015 CG2 THR A 94 -9.365 -3.780 5.483 1.00 0.00 C ATOM 0 H THR A 94 -7.576 -1.548 4.880 1.00 0.00 H new ATOM 0 HA THR A 94 -10.043 -1.273 3.216 1.00 0.00 H new ATOM 0 HB THR A 94 -8.612 -3.395 3.530 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.733 -3.240 2.556 1.00 0.00 H new ATOM 0 HG21 THR A 94 -9.348 -4.865 5.384 1.00 0.00 H new ATOM 0 HG22 THR A 94 -8.436 -3.443 5.943 1.00 0.00 H new ATOM 0 HG23 THR A 94 -10.208 -3.486 6.109 1.00 0.00 H new ATOM 1023 N THR A 95 -9.864 -0.044 5.991 1.00 0.00 N ATOM 1024 CA THR A 95 -10.461 0.350 7.267 1.00 0.00 C ATOM 1025 C THR A 95 -10.971 1.786 7.240 1.00 0.00 C ATOM 1026 O THR A 95 -12.097 2.061 7.653 1.00 0.00 O ATOM 1027 CB THR A 95 -9.449 0.153 8.382 1.00 0.00 C ATOM 1028 OG1 THR A 95 -8.744 -1.054 8.186 1.00 0.00 O ATOM 1029 CG2 THR A 95 -10.095 0.108 9.768 1.00 0.00 C ATOM 0 H THR A 95 -8.996 0.441 5.763 1.00 0.00 H new ATOM 0 HA THR A 95 -11.327 -0.286 7.449 1.00 0.00 H new ATOM 0 HB THR A 95 -8.779 1.012 8.345 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.092 -1.173 8.908 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.323 -0.035 10.525 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.619 1.045 9.956 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.804 -0.719 9.812 1.00 0.00 H new ATOM 1037 N MET A 96 -10.112 2.719 6.840 1.00 0.00 N ATOM 1038 CA MET A 96 -10.417 4.123 6.802 1.00 0.00 C ATOM 1039 C MET A 96 -11.059 4.496 5.462 1.00 0.00 C ATOM 1040 O MET A 96 -11.964 5.324 5.425 1.00 0.00 O ATOM 1041 CB MET A 96 -9.168 4.892 7.141 1.00 0.00 C ATOM 1042 CG MET A 96 -8.004 4.881 6.182 1.00 0.00 C ATOM 1043 SD MET A 96 -6.885 6.284 6.412 1.00 0.00 S ATOM 1044 CE MET A 96 -6.988 6.602 8.197 1.00 0.00 C ATOM 0 H MET A 96 -9.165 2.502 6.528 1.00 0.00 H new ATOM 0 HA MET A 96 -11.164 4.390 7.549 1.00 0.00 H new ATOM 0 HB2 MET A 96 -9.456 5.932 7.292 1.00 0.00 H new ATOM 0 HB3 MET A 96 -8.805 4.519 8.099 1.00 0.00 H new ATOM 0 HG2 MET A 96 -7.445 3.953 6.308 1.00 0.00 H new ATOM 0 HG3 MET A 96 -8.382 4.889 5.160 1.00 0.00 H new ATOM 0 HE1 MET A 96 -6.144 7.218 8.506 1.00 0.00 H new ATOM 0 HE2 MET A 96 -7.919 7.123 8.421 1.00 0.00 H new ATOM 0 HE3 MET A 96 -6.963 5.656 8.737 1.00 0.00 H new ATOM 1054 N VAL A 97 -10.625 3.863 4.368 1.00 0.00 N ATOM 1055 CA VAL A 97 -11.372 3.801 3.123 1.00 0.00 C ATOM 1056 C VAL A 97 -12.432 2.704 3.273 1.00 0.00 C ATOM 1057 O VAL A 97 -12.133 1.607 3.744 1.00 0.00 O ATOM 1058 CB VAL A 97 -10.475 3.450 1.911 1.00 0.00 C ATOM 1059 CG1 VAL A 97 -10.981 4.053 0.596 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -9.011 3.876 2.026 1.00 0.00 C ATOM 0 H VAL A 97 -9.731 3.374 4.329 1.00 0.00 H new ATOM 0 HA VAL A 97 -11.810 4.781 2.936 1.00 0.00 H new ATOM 0 HB VAL A 97 -10.533 2.362 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -10.310 3.771 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -11.983 3.678 0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -11.011 5.139 0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.474 3.582 1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -8.955 4.958 2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.558 3.392 2.892 1.00 0.00 H new ATOM 1070 N GLN A 98 -13.635 2.984 2.793 1.00 0.00 N ATOM 1071 CA GLN A 98 -14.602 2.017 2.305 1.00 0.00 C ATOM 1072 C GLN A 98 -14.030 1.271 1.109 1.00 0.00 C ATOM 1073 O GLN A 98 -13.352 1.881 0.282 1.00 0.00 O ATOM 1074 CB GLN A 98 -15.829 2.843 1.896 1.00 0.00 C ATOM 1075 CG GLN A 98 -16.831 2.283 0.874 1.00 0.00 C ATOM 1076 CD GLN A 98 -16.730 2.971 -0.492 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -17.714 3.473 -1.022 1.00 0.00 O ATOM 1078 NE2 GLN A 98 -15.565 3.057 -1.110 1.00 0.00 N ATOM 0 H GLN A 98 -13.979 3.942 2.731 1.00 0.00 H new ATOM 0 HA GLN A 98 -14.856 1.269 3.056 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -16.386 3.067 2.806 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -15.464 3.792 1.504 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -16.659 1.214 0.751 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -17.843 2.401 1.262 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -14.732 2.647 -0.688 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -15.499 3.534 -2.009 1.00 0.00 H new ATOM 1087 N ASP A 99 -14.433 0.011 0.943 1.00 0.00 N ATOM 1088 CA ASP A 99 -14.318 -0.833 -0.260 1.00 0.00 C ATOM 1089 C ASP A 99 -12.891 -1.291 -0.525 1.00 0.00 C ATOM 1090 O ASP A 99 -12.701 -2.439 -0.912 1.00 0.00 O ATOM 1091 CB ASP A 99 -14.890 -0.117 -1.503 1.00 0.00 C ATOM 1092 CG ASP A 99 -14.781 -0.854 -2.842 1.00 0.00 C ATOM 1093 OD1 ASP A 99 -15.828 -1.009 -3.513 1.00 0.00 O ATOM 1094 OD2 ASP A 99 -13.658 -1.076 -3.343 1.00 0.00 O ATOM 0 H ASP A 99 -14.886 -0.492 1.706 1.00 0.00 H new ATOM 0 HA ASP A 99 -14.912 -1.725 -0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -15.943 0.094 -1.317 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -14.385 0.844 -1.603 1.00 0.00 H new ATOM 1100 N ALA A 100 -11.906 -0.412 -0.341 1.00 0.00 N ATOM 1101 CA ALA A 100 -10.527 -0.676 -0.731 1.00 0.00 C ATOM 1102 C ALA A 100 -9.938 -1.857 0.042 1.00 0.00 C ATOM 1103 O ALA A 100 -10.392 -2.190 1.138 1.00 0.00 O ATOM 1104 CB ALA A 100 -9.686 0.582 -0.524 1.00 0.00 C ATOM 0 H ALA A 100 -12.046 0.505 0.084 1.00 0.00 H new ATOM 0 HA ALA A 100 -10.515 -0.946 -1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -8.655 0.383 -0.816 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -10.086 1.392 -1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.716 0.871 0.527 1.00 0.00 H new ATOM 1110 N THR A 101 -8.912 -2.491 -0.522 1.00 0.00 N ATOM 1111 CA THR A 101 -8.375 -3.755 -0.010 1.00 0.00 C ATOM 1112 C THR A 101 -6.873 -3.878 -0.252 1.00 0.00 C ATOM 1113 O THR A 101 -6.309 -3.138 -1.066 1.00 0.00 O ATOM 1114 CB THR A 101 -9.124 -4.965 -0.607 1.00 0.00 C ATOM 1115 OG1 THR A 101 -8.790 -5.229 -1.957 1.00 0.00 O ATOM 1116 CG2 THR A 101 -10.641 -4.850 -0.568 1.00 0.00 C ATOM 0 H THR A 101 -8.427 -2.144 -1.349 1.00 0.00 H new ATOM 0 HA THR A 101 -8.534 -3.752 1.068 1.00 0.00 H new ATOM 0 HB THR A 101 -8.793 -5.774 0.044 1.00 0.00 H new ATOM 0 HG1 THR A 101 -9.296 -6.006 -2.273 1.00 0.00 H new ATOM 0 HG21 THR A 101 -11.085 -5.743 -1.008 1.00 0.00 H new ATOM 0 HG22 THR A 101 -10.972 -4.751 0.466 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.954 -3.973 -1.134 1.00 0.00 H new ATOM 1124 N ALA A 102 -6.226 -4.830 0.432 1.00 0.00 N ATOM 1125 CA ALA A 102 -4.810 -5.120 0.303 1.00 0.00 C ATOM 1126 C ALA A 102 -4.511 -6.601 0.535 1.00 0.00 C ATOM 1127 O ALA A 102 -4.472 -7.056 1.676 1.00 0.00 O ATOM 1128 CB ALA A 102 -4.027 -4.271 1.303 1.00 0.00 C ATOM 0 H ALA A 102 -6.696 -5.432 1.108 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.506 -4.877 -0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -2.963 -4.487 1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.203 -3.215 1.100 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.356 -4.505 2.315 1.00 0.00 H new ATOM 1134 N HIS A 103 -4.220 -7.326 -0.539 1.00 0.00 N ATOM 1135 CA HIS A 103 -3.885 -8.749 -0.532 1.00 0.00 C ATOM 1136 C HIS A 103 -2.422 -8.932 -0.938 1.00 0.00 C ATOM 1137 O HIS A 103 -1.798 -8.051 -1.531 1.00 0.00 O ATOM 1138 CB HIS A 103 -4.873 -9.485 -1.462 1.00 0.00 C ATOM 1139 CG HIS A 103 -4.509 -10.915 -1.783 1.00 0.00 C ATOM 1140 ND1 HIS A 103 -4.436 -11.957 -0.886 1.00 0.00 N ATOM 1141 CD2 HIS A 103 -4.151 -11.399 -3.013 1.00 0.00 C ATOM 1142 CE1 HIS A 103 -4.006 -13.039 -1.559 1.00 0.00 C ATOM 1143 NE2 HIS A 103 -3.830 -12.749 -2.859 1.00 0.00 N ATOM 0 H HIS A 103 -4.210 -6.925 -1.477 1.00 0.00 H new ATOM 0 HA HIS A 103 -3.985 -9.179 0.464 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.860 -9.473 -1.000 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -4.952 -8.928 -2.396 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -4.666 -11.916 0.107 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.122 -10.838 -3.935 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.827 -14.007 -1.116 1.00 0.00 H new ATOM 1152 N LEU A 104 -1.876 -10.102 -0.623 1.00 0.00 N ATOM 1153 CA LEU A 104 -0.522 -10.559 -0.866 1.00 0.00 C ATOM 1154 C LEU A 104 -0.672 -11.926 -1.507 1.00 0.00 C ATOM 1155 O LEU A 104 -0.995 -12.891 -0.810 1.00 0.00 O ATOM 1156 CB LEU A 104 0.215 -10.634 0.486 1.00 0.00 C ATOM 1157 CG LEU A 104 1.645 -11.225 0.538 1.00 0.00 C ATOM 1158 CD1 LEU A 104 1.764 -12.280 1.625 1.00 0.00 C ATOM 1159 CD2 LEU A 104 2.176 -11.902 -0.708 1.00 0.00 C ATOM 0 H LEU A 104 -2.426 -10.817 -0.147 1.00 0.00 H new ATOM 0 HA LEU A 104 0.055 -9.899 -1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.264 -9.622 0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.406 -11.218 1.165 1.00 0.00 H new ATOM 0 HG LEU A 104 2.233 -10.322 0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.779 -12.677 1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.537 -11.832 2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.061 -13.089 1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.187 -12.266 -0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.531 -12.741 -0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.193 -11.188 -1.531 1.00 0.00 H new ATOM 1171 N ASP A 105 -0.408 -12.035 -2.806 1.00 0.00 N ATOM 1172 CA ASP A 105 -0.290 -13.343 -3.438 1.00 0.00 C ATOM 1173 C ASP A 105 1.166 -13.776 -3.334 1.00 0.00 C ATOM 1174 O ASP A 105 2.019 -13.221 -4.021 1.00 0.00 O ATOM 1175 CB ASP A 105 -0.765 -13.329 -4.900 1.00 0.00 C ATOM 1176 CG ASP A 105 -1.924 -14.304 -5.113 1.00 0.00 C ATOM 1177 OD1 ASP A 105 -2.788 -14.026 -5.973 1.00 0.00 O ATOM 1178 OD2 ASP A 105 -1.976 -15.360 -4.443 1.00 0.00 O ATOM 0 H ASP A 105 -0.273 -11.243 -3.434 1.00 0.00 H new ATOM 0 HA ASP A 105 -0.937 -14.054 -2.925 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -1.078 -12.322 -5.174 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.063 -13.595 -5.557 1.00 0.00 H new ATOM 1184 N VAL A 106 1.498 -14.688 -2.421 1.00 0.00 N ATOM 1185 CA VAL A 106 2.889 -15.073 -2.167 1.00 0.00 C ATOM 1186 C VAL A 106 3.307 -16.155 -3.140 1.00 0.00 C ATOM 1187 O VAL A 106 4.481 -16.243 -3.502 1.00 0.00 O ATOM 1188 CB VAL A 106 3.050 -15.503 -0.702 1.00 0.00 C ATOM 1189 CG1 VAL A 106 2.454 -16.866 -0.364 1.00 0.00 C ATOM 1190 CG2 VAL A 106 4.509 -15.424 -0.237 1.00 0.00 C ATOM 0 H VAL A 106 0.818 -15.178 -1.840 1.00 0.00 H new ATOM 0 HA VAL A 106 3.550 -14.221 -2.328 1.00 0.00 H new ATOM 0 HB VAL A 106 2.459 -14.775 -0.146 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.617 -17.083 0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.384 -16.857 -0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.935 -17.634 -0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.576 -15.737 0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.123 -16.080 -0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.866 -14.398 -0.331 1.00 0.00 H new ATOM 1200 N GLY A 107 2.348 -16.935 -3.639 1.00 0.00 N ATOM 1201 CA GLY A 107 2.639 -17.952 -4.614 1.00 0.00 C ATOM 1202 C GLY A 107 2.891 -17.341 -5.991 1.00 0.00 C ATOM 1203 O GLY A 107 3.407 -18.024 -6.869 1.00 0.00 O ATOM 0 H GLY A 107 1.365 -16.871 -3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.514 -18.521 -4.300 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.807 -18.653 -4.671 1.00 0.00 H new ATOM 1207 N GLN A 108 2.559 -16.059 -6.183 1.00 0.00 N ATOM 1208 CA GLN A 108 2.857 -15.271 -7.374 1.00 0.00 C ATOM 1209 C GLN A 108 3.617 -13.986 -7.011 1.00 0.00 C ATOM 1210 O GLN A 108 3.683 -13.076 -7.828 1.00 0.00 O ATOM 1211 CB GLN A 108 1.565 -15.001 -8.168 1.00 0.00 C ATOM 1212 CG GLN A 108 0.952 -16.283 -8.770 1.00 0.00 C ATOM 1213 CD GLN A 108 0.652 -16.148 -10.263 1.00 0.00 C ATOM 1214 OE1 GLN A 108 1.485 -15.710 -11.048 1.00 0.00 O ATOM 1215 NE2 GLN A 108 -0.522 -16.556 -10.717 1.00 0.00 N ATOM 0 H GLN A 108 2.053 -15.523 -5.478 1.00 0.00 H new ATOM 0 HA GLN A 108 3.521 -15.841 -8.024 1.00 0.00 H new ATOM 0 HB2 GLN A 108 0.834 -14.528 -7.513 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.778 -14.295 -8.970 1.00 0.00 H new ATOM 0 HG2 GLN A 108 1.638 -17.116 -8.615 1.00 0.00 H new ATOM 0 HG3 GLN A 108 0.031 -16.525 -8.239 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -1.220 -16.922 -10.069 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -0.729 -16.505 -11.714 1.00 0.00 H new ATOM 1224 N GLN A 109 4.174 -13.903 -5.795 1.00 0.00 N ATOM 1225 CA GLN A 109 4.907 -12.775 -5.217 1.00 0.00 C ATOM 1226 C GLN A 109 4.429 -11.412 -5.742 1.00 0.00 C ATOM 1227 O GLN A 109 5.164 -10.724 -6.459 1.00 0.00 O ATOM 1228 CB GLN A 109 6.419 -13.012 -5.404 1.00 0.00 C ATOM 1229 CG GLN A 109 6.893 -14.154 -4.505 1.00 0.00 C ATOM 1230 CD GLN A 109 8.345 -14.536 -4.744 1.00 0.00 C ATOM 1231 OE1 GLN A 109 8.672 -15.190 -5.729 1.00 0.00 O ATOM 1232 NE2 GLN A 109 9.235 -14.175 -3.842 1.00 0.00 N ATOM 0 H GLN A 109 4.118 -14.685 -5.142 1.00 0.00 H new ATOM 0 HA GLN A 109 4.696 -12.729 -4.149 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.630 -13.249 -6.447 1.00 0.00 H new ATOM 0 HB3 GLN A 109 6.969 -12.101 -5.167 1.00 0.00 H new ATOM 0 HG2 GLN A 109 6.767 -13.864 -3.462 1.00 0.00 H new ATOM 0 HG3 GLN A 109 6.261 -15.027 -4.672 1.00 0.00 H new ATOM 0 HE21 GLN A 109 8.946 -13.631 -3.029 1.00 0.00 H new ATOM 0 HE22 GLN A 109 10.213 -14.439 -3.957 1.00 0.00 H new ATOM 1241 N ARG A 110 3.212 -10.999 -5.369 1.00 0.00 N ATOM 1242 CA ARG A 110 2.602 -9.768 -5.874 1.00 0.00 C ATOM 1243 C ARG A 110 1.747 -9.147 -4.781 1.00 0.00 C ATOM 1244 O ARG A 110 0.941 -9.846 -4.160 1.00 0.00 O ATOM 1245 CB ARG A 110 1.824 -10.093 -7.160 1.00 0.00 C ATOM 1246 CG ARG A 110 1.213 -8.869 -7.859 1.00 0.00 C ATOM 1247 CD ARG A 110 0.485 -9.244 -9.159 1.00 0.00 C ATOM 1248 NE ARG A 110 1.406 -9.719 -10.211 1.00 0.00 N ATOM 1249 CZ ARG A 110 1.195 -9.656 -11.532 1.00 0.00 C ATOM 1250 NH1 ARG A 110 0.056 -9.183 -12.024 1.00 0.00 N ATOM 1251 NH2 ARG A 110 2.118 -10.076 -12.388 1.00 0.00 N ATOM 0 H ARG A 110 2.625 -11.509 -4.709 1.00 0.00 H new ATOM 0 HA ARG A 110 3.354 -9.024 -6.137 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.493 -10.598 -7.857 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.026 -10.795 -6.919 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.514 -8.378 -7.182 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.001 -8.149 -8.081 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -0.250 -10.020 -8.948 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -0.064 -8.377 -9.527 1.00 0.00 H new ATOM 0 HE ARG A 110 2.285 -10.134 -9.903 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -0.677 -8.860 -11.393 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -0.086 -9.143 -13.033 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.001 -10.452 -12.042 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.945 -10.023 -13.392 1.00 0.00 H new ATOM 1265 N LEU A 111 1.935 -7.850 -4.521 1.00 0.00 N ATOM 1266 CA LEU A 111 1.010 -7.097 -3.679 1.00 0.00 C ATOM 1267 C LEU A 111 -0.181 -6.739 -4.554 1.00 0.00 C ATOM 1268 O LEU A 111 0.032 -6.167 -5.613 1.00 0.00 O ATOM 1269 CB LEU A 111 1.652 -5.819 -3.097 1.00 0.00 C ATOM 1270 CG LEU A 111 1.867 -5.793 -1.579 1.00 0.00 C ATOM 1271 CD1 LEU A 111 2.134 -4.362 -1.118 1.00 0.00 C ATOM 1272 CD2 LEU A 111 0.710 -6.366 -0.751 1.00 0.00 C ATOM 0 H LEU A 111 2.717 -7.304 -4.881 1.00 0.00 H new ATOM 0 HA LEU A 111 0.716 -7.702 -2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.617 -5.671 -3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.026 -4.969 -3.368 1.00 0.00 H new ATOM 0 HG LEU A 111 2.724 -6.444 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.286 -4.350 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.026 -3.980 -1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.281 -3.733 -1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.956 -6.304 0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.197 -5.794 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.548 -7.408 -1.025 1.00 0.00 H new ATOM 1284 N ASN A 112 -1.400 -7.052 -4.129 1.00 0.00 N ATOM 1285 CA ASN A 112 -2.627 -6.935 -4.907 1.00 0.00 C ATOM 1286 C ASN A 112 -3.599 -6.042 -4.146 1.00 0.00 C ATOM 1287 O ASN A 112 -4.305 -6.512 -3.249 1.00 0.00 O ATOM 1288 CB ASN A 112 -3.252 -8.325 -5.098 1.00 0.00 C ATOM 1289 CG ASN A 112 -2.770 -9.047 -6.343 1.00 0.00 C ATOM 1290 OD1 ASN A 112 -2.915 -8.543 -7.451 1.00 0.00 O ATOM 1291 ND2 ASN A 112 -2.255 -10.255 -6.202 1.00 0.00 N ATOM 0 H ASN A 112 -1.567 -7.411 -3.189 1.00 0.00 H new ATOM 0 HA ASN A 112 -2.409 -6.506 -5.885 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -3.028 -8.937 -4.224 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -4.336 -8.222 -5.146 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.969 -10.787 -7.024 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -2.143 -10.656 -5.271 1.00 0.00 H new ATOM 1298 N LEU A 113 -3.617 -4.748 -4.444 1.00 0.00 N ATOM 1299 CA LEU A 113 -4.453 -3.778 -3.750 1.00 0.00 C ATOM 1300 C LEU A 113 -5.607 -3.347 -4.661 1.00 0.00 C ATOM 1301 O LEU A 113 -5.486 -3.401 -5.891 1.00 0.00 O ATOM 1302 CB LEU A 113 -3.638 -2.541 -3.333 1.00 0.00 C ATOM 1303 CG LEU A 113 -2.210 -2.681 -2.765 1.00 0.00 C ATOM 1304 CD1 LEU A 113 -2.012 -3.782 -1.728 1.00 0.00 C ATOM 1305 CD2 LEU A 113 -1.159 -2.738 -3.874 1.00 0.00 C ATOM 0 H LEU A 113 -3.045 -4.339 -5.183 1.00 0.00 H new ATOM 0 HA LEU A 113 -4.847 -4.250 -2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.571 -1.894 -4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.227 -2.008 -2.587 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.061 -1.763 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.973 -3.789 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.662 -3.598 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.259 -4.747 -2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.168 -2.837 -3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.356 -3.595 -4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.203 -1.823 -4.465 1.00 0.00 H new ATOM 1317 N THR A 114 -6.675 -2.814 -4.073 1.00 0.00 N ATOM 1318 CA THR A 114 -7.820 -2.247 -4.783 1.00 0.00 C ATOM 1319 C THR A 114 -8.209 -0.937 -4.099 1.00 0.00 C ATOM 1320 O THR A 114 -8.215 -0.895 -2.869 1.00 0.00 O ATOM 1321 CB THR A 114 -8.992 -3.238 -4.733 1.00 0.00 C ATOM 1322 OG1 THR A 114 -8.603 -4.508 -5.236 1.00 0.00 O ATOM 1323 CG2 THR A 114 -10.177 -2.734 -5.555 1.00 0.00 C ATOM 0 H THR A 114 -6.771 -2.763 -3.059 1.00 0.00 H new ATOM 0 HA THR A 114 -7.567 -2.057 -5.826 1.00 0.00 H new ATOM 0 HB THR A 114 -9.287 -3.330 -3.688 1.00 0.00 H new ATOM 0 HG1 THR A 114 -9.364 -5.124 -5.193 1.00 0.00 H new ATOM 0 HG21 THR A 114 -10.991 -3.457 -5.501 1.00 0.00 H new ATOM 0 HG22 THR A 114 -10.514 -1.777 -5.158 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.872 -2.609 -6.594 1.00 0.00 H new ATOM 1331 N ILE A 115 -8.525 0.118 -4.858 1.00 0.00 N ATOM 1332 CA ILE A 115 -8.982 1.422 -4.369 1.00 0.00 C ATOM 1333 C ILE A 115 -9.969 2.013 -5.378 1.00 0.00 C ATOM 1334 O ILE A 115 -9.619 2.116 -6.553 1.00 0.00 O ATOM 1335 CB ILE A 115 -7.784 2.383 -4.181 1.00 0.00 C ATOM 1336 CG1 ILE A 115 -6.780 1.818 -3.155 1.00 0.00 C ATOM 1337 CG2 ILE A 115 -8.237 3.792 -3.743 1.00 0.00 C ATOM 1338 CD1 ILE A 115 -5.552 2.699 -2.953 1.00 0.00 C ATOM 0 H ILE A 115 -8.466 0.084 -5.876 1.00 0.00 H new ATOM 0 HA ILE A 115 -9.471 1.292 -3.403 1.00 0.00 H new ATOM 0 HB ILE A 115 -7.295 2.470 -5.151 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.285 1.689 -2.198 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.458 0.829 -3.481 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.364 4.434 -3.623 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -8.896 4.214 -4.501 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -8.771 3.724 -2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -4.891 2.239 -2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.023 2.808 -3.900 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -5.863 3.681 -2.596 1.00 0.00 H new ATOM 1350 N PRO A 116 -11.161 2.461 -4.950 1.00 0.00 N ATOM 1351 CA PRO A 116 -12.110 3.071 -5.863 1.00 0.00 C ATOM 1352 C PRO A 116 -11.760 4.527 -6.193 1.00 0.00 C ATOM 1353 O PRO A 116 -11.232 5.266 -5.357 1.00 0.00 O ATOM 1354 CB PRO A 116 -13.459 2.984 -5.155 1.00 0.00 C ATOM 1355 CG PRO A 116 -13.130 2.890 -3.668 1.00 0.00 C ATOM 1356 CD PRO A 116 -11.710 2.334 -3.607 1.00 0.00 C ATOM 0 HA PRO A 116 -12.108 2.555 -6.823 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -14.072 3.860 -5.367 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -14.023 2.113 -5.489 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -13.191 3.867 -3.189 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -13.832 2.236 -3.150 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -11.107 2.887 -2.887 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -11.714 1.292 -3.286 1.00 0.00 H new ATOM 1364 N GLN A 117 -12.223 4.981 -7.359 1.00 0.00 N ATOM 1365 CA GLN A 117 -12.120 6.330 -7.912 1.00 0.00 C ATOM 1366 C GLN A 117 -12.681 7.433 -7.000 1.00 0.00 C ATOM 1367 O GLN A 117 -12.496 8.613 -7.294 1.00 0.00 O ATOM 1368 CB GLN A 117 -12.869 6.353 -9.262 1.00 0.00 C ATOM 1369 CG GLN A 117 -12.150 5.617 -10.402 1.00 0.00 C ATOM 1370 CD GLN A 117 -11.048 6.469 -11.020 1.00 0.00 C ATOM 1371 OE1 GLN A 117 -11.266 7.196 -11.991 1.00 0.00 O ATOM 1372 NE2 GLN A 117 -9.845 6.406 -10.484 1.00 0.00 N ATOM 0 H GLN A 117 -12.723 4.359 -7.995 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.058 6.550 -8.024 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -13.854 5.908 -9.124 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -13.026 7.390 -9.558 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -11.722 4.689 -10.023 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -12.873 5.344 -11.171 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.676 5.801 -9.680 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -9.084 6.962 -10.873 1.00 0.00 H new ATOM 1381 N ALA A 118 -13.400 7.093 -5.927 1.00 0.00 N ATOM 1382 CA ALA A 118 -13.838 8.037 -4.898 1.00 0.00 C ATOM 1383 C ALA A 118 -12.650 8.618 -4.121 1.00 0.00 C ATOM 1384 O ALA A 118 -12.724 9.735 -3.602 1.00 0.00 O ATOM 1385 CB ALA A 118 -14.795 7.326 -3.935 1.00 0.00 C ATOM 0 H ALA A 118 -13.699 6.135 -5.747 1.00 0.00 H new ATOM 0 HA ALA A 118 -14.348 8.866 -5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -15.124 8.025 -3.166 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -15.661 6.960 -4.487 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -14.282 6.487 -3.466 1.00 0.00 H new ATOM 1391 N PHE A 119 -11.540 7.879 -4.046 1.00 0.00 N ATOM 1392 CA PHE A 119 -10.375 8.265 -3.275 1.00 0.00 C ATOM 1393 C PHE A 119 -9.146 8.101 -4.155 1.00 0.00 C ATOM 1394 O PHE A 119 -8.200 7.424 -3.784 1.00 0.00 O ATOM 1395 CB PHE A 119 -10.295 7.475 -1.951 1.00 0.00 C ATOM 1396 CG PHE A 119 -11.600 7.363 -1.182 1.00 0.00 C ATOM 1397 CD1 PHE A 119 -12.451 6.280 -1.452 1.00 0.00 C ATOM 1398 CD2 PHE A 119 -11.986 8.321 -0.224 1.00 0.00 C ATOM 1399 CE1 PHE A 119 -13.683 6.163 -0.789 1.00 0.00 C ATOM 1400 CE2 PHE A 119 -13.229 8.213 0.429 1.00 0.00 C ATOM 1401 CZ PHE A 119 -14.089 7.139 0.135 1.00 0.00 C ATOM 0 H PHE A 119 -11.433 6.987 -4.528 1.00 0.00 H new ATOM 0 HA PHE A 119 -10.442 9.311 -2.976 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -9.933 6.470 -2.168 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -9.553 7.949 -1.308 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -12.156 5.533 -2.174 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -11.325 9.142 0.011 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -14.323 5.317 -0.991 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -13.522 8.955 1.156 1.00 0.00 H new ATOM 0 HZ PHE A 119 -15.053 7.066 0.616 1.00 0.00 H new ATOM 1411 N MET A 120 -9.095 8.725 -5.329 1.00 0.00 N ATOM 1412 CA MET A 120 -7.942 8.627 -6.208 1.00 0.00 C ATOM 1413 C MET A 120 -7.610 10.020 -6.761 1.00 0.00 C ATOM 1414 O MET A 120 -8.481 10.706 -7.304 1.00 0.00 O ATOM 1415 CB MET A 120 -8.257 7.613 -7.311 1.00 0.00 C ATOM 1416 CG MET A 120 -8.148 6.170 -6.804 1.00 0.00 C ATOM 1417 SD MET A 120 -8.164 4.906 -8.101 1.00 0.00 S ATOM 1418 CE MET A 120 -6.383 4.749 -8.417 1.00 0.00 C ATOM 0 H MET A 120 -9.849 9.308 -5.693 1.00 0.00 H new ATOM 0 HA MET A 120 -7.060 8.275 -5.672 1.00 0.00 H new ATOM 0 HB2 MET A 120 -9.263 7.790 -7.691 1.00 0.00 H new ATOM 0 HB3 MET A 120 -7.571 7.758 -8.145 1.00 0.00 H new ATOM 0 HG2 MET A 120 -7.227 6.070 -6.230 1.00 0.00 H new ATOM 0 HG3 MET A 120 -8.973 5.977 -6.118 1.00 0.00 H new ATOM 0 HE1 MET A 120 -6.216 4.005 -9.196 1.00 0.00 H new ATOM 0 HE2 MET A 120 -5.985 5.710 -8.742 1.00 0.00 H new ATOM 0 HE3 MET A 120 -5.877 4.437 -7.503 1.00 0.00 H new ATOM 1428 N SER A 121 -6.377 10.479 -6.537 1.00 0.00 N ATOM 1429 CA SER A 121 -5.755 11.698 -7.043 1.00 0.00 C ATOM 1430 C SER A 121 -4.253 11.558 -6.762 1.00 0.00 C ATOM 1431 O SER A 121 -3.871 10.830 -5.844 1.00 0.00 O ATOM 1432 CB SER A 121 -6.319 12.954 -6.369 1.00 0.00 C ATOM 1433 OG SER A 121 -5.936 14.158 -7.019 1.00 0.00 O ATOM 0 H SER A 121 -5.733 9.957 -5.943 1.00 0.00 H new ATOM 0 HA SER A 121 -5.958 11.816 -8.107 1.00 0.00 H new ATOM 0 HB2 SER A 121 -7.407 12.890 -6.348 1.00 0.00 H new ATOM 0 HB3 SER A 121 -5.982 12.985 -5.333 1.00 0.00 H new ATOM 0 HG SER A 121 -6.737 14.635 -7.322 1.00 0.00 H new ATOM 1439 N ASN A 122 -3.402 12.281 -7.495 1.00 0.00 N ATOM 1440 CA ASN A 122 -1.946 12.251 -7.325 1.00 0.00 C ATOM 1441 C ASN A 122 -1.574 12.832 -5.958 1.00 0.00 C ATOM 1442 O ASN A 122 -1.205 12.102 -5.042 1.00 0.00 O ATOM 1443 CB ASN A 122 -1.236 13.015 -8.465 1.00 0.00 C ATOM 1444 CG ASN A 122 -1.731 12.617 -9.841 1.00 0.00 C ATOM 1445 OD1 ASN A 122 -2.755 13.132 -10.278 1.00 0.00 O ATOM 1446 ND2 ASN A 122 -1.090 11.672 -10.499 1.00 0.00 N ATOM 0 H ASN A 122 -3.709 12.913 -8.234 1.00 0.00 H new ATOM 0 HA ASN A 122 -1.609 11.215 -7.370 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -1.386 14.086 -8.326 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -0.163 12.833 -8.404 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -1.443 11.348 -11.400 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -0.241 11.264 -10.108 1.00 0.00 H new ATOM 1453 N ARG A 123 -1.753 14.148 -5.803 1.00 0.00 N ATOM 1454 CA ARG A 123 -1.394 15.037 -4.692 1.00 0.00 C ATOM 1455 C ARG A 123 -1.257 14.346 -3.331 1.00 0.00 C ATOM 1456 O ARG A 123 -2.190 14.375 -2.530 1.00 0.00 O ATOM 1457 CB ARG A 123 -2.431 16.187 -4.628 1.00 0.00 C ATOM 1458 CG ARG A 123 -3.881 15.708 -4.864 1.00 0.00 C ATOM 1459 CD ARG A 123 -4.921 16.771 -4.525 1.00 0.00 C ATOM 1460 NE ARG A 123 -6.261 16.368 -4.989 1.00 0.00 N ATOM 1461 CZ ARG A 123 -7.418 16.916 -4.598 1.00 0.00 C ATOM 1462 NH1 ARG A 123 -7.465 17.819 -3.627 1.00 0.00 N ATOM 1463 NH2 ARG A 123 -8.553 16.500 -5.140 1.00 0.00 N ATOM 0 H ARG A 123 -2.209 14.680 -6.544 1.00 0.00 H new ATOM 0 HA ARG A 123 -0.395 15.419 -4.901 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -2.368 16.671 -3.653 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -2.177 16.940 -5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -3.996 15.415 -5.907 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -4.067 14.819 -4.261 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -4.940 16.936 -3.448 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -4.642 17.718 -4.987 1.00 0.00 H new ATOM 0 HE ARG A 123 -6.311 15.607 -5.666 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -6.606 18.111 -3.160 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -8.360 18.221 -3.348 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -8.541 15.767 -5.850 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -9.439 16.912 -4.848 1.00 0.00 H new ATOM 1477 N ALA A 124 -0.080 13.797 -3.013 1.00 0.00 N ATOM 1478 CA ALA A 124 0.172 13.174 -1.715 1.00 0.00 C ATOM 1479 C ALA A 124 0.289 14.195 -0.574 1.00 0.00 C ATOM 1480 O ALA A 124 0.536 13.787 0.560 1.00 0.00 O ATOM 1481 CB ALA A 124 1.439 12.312 -1.762 1.00 0.00 C ATOM 0 H ALA A 124 0.719 13.773 -3.646 1.00 0.00 H new ATOM 0 HA ALA A 124 -0.694 12.546 -1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 124 1.607 11.858 -0.785 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.318 11.529 -2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.294 12.936 -2.024 1.00 0.00 H new ATOM 1487 N ARG A 125 0.146 15.502 -0.836 1.00 0.00 N ATOM 1488 CA ARG A 125 0.475 16.588 0.091 1.00 0.00 C ATOM 1489 C ARG A 125 1.962 16.559 0.417 1.00 0.00 C ATOM 1490 O ARG A 125 2.360 16.455 1.574 1.00 0.00 O ATOM 1491 CB ARG A 125 -0.459 16.597 1.320 1.00 0.00 C ATOM 1492 CG ARG A 125 -1.552 17.658 1.212 1.00 0.00 C ATOM 1493 CD ARG A 125 -1.035 19.057 1.574 1.00 0.00 C ATOM 1494 NE ARG A 125 -1.747 19.590 2.740 1.00 0.00 N ATOM 1495 CZ ARG A 125 -1.444 19.449 4.034 1.00 0.00 C ATOM 1496 NH1 ARG A 125 -0.381 18.762 4.444 1.00 0.00 N ATOM 1497 NH2 ARG A 125 -2.240 20.007 4.931 1.00 0.00 N ATOM 0 H ARG A 125 -0.214 15.841 -1.728 1.00 0.00 H new ATOM 0 HA ARG A 125 0.288 17.548 -0.390 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -0.919 15.615 1.431 1.00 0.00 H new ATOM 0 HB3 ARG A 125 0.130 16.776 2.219 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.947 17.669 0.196 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.379 17.395 1.872 1.00 0.00 H new ATOM 0 HD2 ARG A 125 0.034 19.011 1.784 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -1.164 19.728 0.725 1.00 0.00 H new ATOM 0 HE ARG A 125 -2.582 20.140 2.537 1.00 0.00 H new ATOM 0 HH11 ARG A 125 0.235 18.321 3.762 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -0.182 18.677 5.441 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -3.062 20.530 4.628 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -2.032 19.915 5.925 1.00 0.00 H new ATOM 1511 N GLY A 126 2.779 16.694 -0.620 1.00 0.00 N ATOM 1512 CA GLY A 126 4.224 16.654 -0.535 1.00 0.00 C ATOM 1513 C GLY A 126 4.755 15.438 -1.281 1.00 0.00 C ATOM 1514 O GLY A 126 4.050 14.916 -2.150 1.00 0.00 O ATOM 0 H GLY A 126 2.439 16.839 -1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.647 17.565 -0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 126 4.534 16.615 0.509 1.00 0.00 H new ATOM 1518 N TYR A 127 5.996 15.029 -1.008 1.00 0.00 N ATOM 1519 CA TYR A 127 6.643 13.913 -1.680 1.00 0.00 C ATOM 1520 C TYR A 127 7.685 13.279 -0.757 1.00 0.00 C ATOM 1521 O TYR A 127 8.529 13.985 -0.205 1.00 0.00 O ATOM 1522 CB TYR A 127 7.261 14.415 -3.005 1.00 0.00 C ATOM 1523 CG TYR A 127 8.507 13.690 -3.482 1.00 0.00 C ATOM 1524 CD1 TYR A 127 8.552 12.287 -3.492 1.00 0.00 C ATOM 1525 CD2 TYR A 127 9.655 14.419 -3.852 1.00 0.00 C ATOM 1526 CE1 TYR A 127 9.726 11.616 -3.824 1.00 0.00 C ATOM 1527 CE2 TYR A 127 10.841 13.750 -4.199 1.00 0.00 C ATOM 1528 CZ TYR A 127 10.876 12.339 -4.185 1.00 0.00 C ATOM 1529 OH TYR A 127 12.012 11.664 -4.483 1.00 0.00 O ATOM 0 H TYR A 127 6.583 15.474 -0.303 1.00 0.00 H new ATOM 0 HA TYR A 127 5.915 13.138 -1.918 1.00 0.00 H new ATOM 0 HB2 TYR A 127 6.503 14.343 -3.785 1.00 0.00 H new ATOM 0 HB3 TYR A 127 7.502 15.472 -2.892 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.667 11.722 -3.240 1.00 0.00 H new ATOM 0 HD2 TYR A 127 9.623 15.498 -3.869 1.00 0.00 H new ATOM 0 HE1 TYR A 127 9.753 10.537 -3.804 1.00 0.00 H new ATOM 0 HE2 TYR A 127 11.721 14.312 -4.475 1.00 0.00 H new ATOM 0 HH TYR A 127 12.720 12.301 -4.714 1.00 0.00 H new ATOM 1539 N ILE A 128 7.653 11.946 -0.649 1.00 0.00 N ATOM 1540 CA ILE A 128 8.589 11.118 0.102 1.00 0.00 C ATOM 1541 C ILE A 128 9.220 10.136 -0.896 1.00 0.00 C ATOM 1542 O ILE A 128 8.478 9.434 -1.598 1.00 0.00 O ATOM 1543 CB ILE A 128 7.877 10.361 1.236 1.00 0.00 C ATOM 1544 CG1 ILE A 128 7.060 11.298 2.148 1.00 0.00 C ATOM 1545 CG2 ILE A 128 8.847 9.508 2.078 1.00 0.00 C ATOM 1546 CD1 ILE A 128 5.721 11.747 1.544 1.00 0.00 C ATOM 0 H ILE A 128 6.932 11.391 -1.110 1.00 0.00 H new ATOM 0 HA ILE A 128 9.352 11.738 0.572 1.00 0.00 H new ATOM 0 HB ILE A 128 7.181 9.684 0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 128 6.868 10.791 3.094 1.00 0.00 H new ATOM 0 HG13 ILE A 128 7.659 12.180 2.375 1.00 0.00 H new ATOM 0 HG21 ILE A 128 8.292 8.995 2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 128 9.334 8.772 1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 128 9.602 10.153 2.528 1.00 0.00 H new ATOM 0 HD11 ILE A 128 5.207 12.403 2.246 1.00 0.00 H new ATOM 0 HD12 ILE A 128 5.904 12.284 0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 128 5.101 10.873 1.343 1.00 0.00 H new ATOM 1558 N PRO A 129 10.554 10.089 -1.026 1.00 0.00 N ATOM 1559 CA PRO A 129 11.242 9.068 -1.795 1.00 0.00 C ATOM 1560 C PRO A 129 11.173 7.706 -1.093 1.00 0.00 C ATOM 1561 O PRO A 129 11.126 7.627 0.136 1.00 0.00 O ATOM 1562 CB PRO A 129 12.701 9.520 -1.903 1.00 0.00 C ATOM 1563 CG PRO A 129 12.847 10.720 -0.960 1.00 0.00 C ATOM 1564 CD PRO A 129 11.495 10.876 -0.269 1.00 0.00 C ATOM 0 HA PRO A 129 10.779 8.950 -2.774 1.00 0.00 H new ATOM 0 HB2 PRO A 129 13.380 8.716 -1.618 1.00 0.00 H new ATOM 0 HB3 PRO A 129 12.948 9.798 -2.928 1.00 0.00 H new ATOM 0 HG2 PRO A 129 13.640 10.550 -0.232 1.00 0.00 H new ATOM 0 HG3 PRO A 129 13.109 11.622 -1.513 1.00 0.00 H new ATOM 0 HD2 PRO A 129 11.546 10.532 0.764 1.00 0.00 H new ATOM 0 HD3 PRO A 129 11.192 11.923 -0.242 1.00 0.00 H new ATOM 1572 N PRO A 130 11.332 6.607 -1.845 1.00 0.00 N ATOM 1573 CA PRO A 130 11.387 5.276 -1.264 1.00 0.00 C ATOM 1574 C PRO A 130 12.695 5.063 -0.483 1.00 0.00 C ATOM 1575 O PRO A 130 12.814 4.115 0.282 1.00 0.00 O ATOM 1576 CB PRO A 130 11.254 4.326 -2.453 1.00 0.00 C ATOM 1577 CG PRO A 130 11.913 5.103 -3.588 1.00 0.00 C ATOM 1578 CD PRO A 130 11.577 6.559 -3.274 1.00 0.00 C ATOM 0 HA PRO A 130 10.596 5.106 -0.533 1.00 0.00 H new ATOM 0 HB2 PRO A 130 11.756 3.376 -2.269 1.00 0.00 H new ATOM 0 HB3 PRO A 130 10.211 4.098 -2.672 1.00 0.00 H new ATOM 0 HG2 PRO A 130 12.990 4.937 -3.614 1.00 0.00 H new ATOM 0 HG3 PRO A 130 11.521 4.802 -4.560 1.00 0.00 H new ATOM 0 HD2 PRO A 130 12.398 7.219 -3.553 1.00 0.00 H new ATOM 0 HD3 PRO A 130 10.701 6.888 -3.833 1.00 0.00 H new ATOM 1586 N GLU A 131 13.661 5.957 -0.668 1.00 0.00 N ATOM 1587 CA GLU A 131 14.930 6.025 0.032 1.00 0.00 C ATOM 1588 C GLU A 131 14.791 6.643 1.433 1.00 0.00 C ATOM 1589 O GLU A 131 15.773 6.668 2.166 1.00 0.00 O ATOM 1590 CB GLU A 131 15.839 6.831 -0.900 1.00 0.00 C ATOM 1591 CG GLU A 131 17.307 6.966 -0.495 1.00 0.00 C ATOM 1592 CD GLU A 131 18.128 7.390 -1.717 1.00 0.00 C ATOM 1593 OE1 GLU A 131 19.066 6.662 -2.117 1.00 0.00 O ATOM 1594 OE2 GLU A 131 17.730 8.341 -2.431 1.00 0.00 O ATOM 0 H GLU A 131 13.567 6.702 -1.359 1.00 0.00 H new ATOM 0 HA GLU A 131 15.346 5.038 0.234 1.00 0.00 H new ATOM 0 HB2 GLU A 131 15.801 6.373 -1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 131 15.421 7.833 -0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 131 17.411 7.703 0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 131 17.678 6.019 -0.103 1.00 0.00 H new ATOM 1602 N LEU A 132 13.599 7.122 1.820 1.00 0.00 N ATOM 1603 CA LEU A 132 13.296 7.559 3.187 1.00 0.00 C ATOM 1604 C LEU A 132 12.154 6.752 3.797 1.00 0.00 C ATOM 1605 O LEU A 132 12.084 6.617 5.019 1.00 0.00 O ATOM 1606 CB LEU A 132 12.938 9.052 3.214 1.00 0.00 C ATOM 1607 CG LEU A 132 14.145 9.995 3.080 1.00 0.00 C ATOM 1608 CD1 LEU A 132 13.658 11.447 3.001 1.00 0.00 C ATOM 1609 CD2 LEU A 132 15.091 9.842 4.275 1.00 0.00 C ATOM 0 H LEU A 132 12.809 7.217 1.182 1.00 0.00 H new ATOM 0 HA LEU A 132 14.193 7.391 3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 132 12.238 9.260 2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 132 12.421 9.273 4.148 1.00 0.00 H new ATOM 0 HG LEU A 132 14.686 9.734 2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 132 14.515 12.114 2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 132 13.008 11.566 2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 132 13.104 11.695 3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 132 15.937 10.519 4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 132 14.558 10.083 5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 132 15.452 8.815 4.324 1.00 0.00 H new ATOM 1621 N TRP A 133 11.272 6.191 2.965 1.00 0.00 N ATOM 1622 CA TRP A 133 10.296 5.192 3.388 1.00 0.00 C ATOM 1623 C TRP A 133 10.954 3.850 3.725 1.00 0.00 C ATOM 1624 O TRP A 133 10.276 3.000 4.297 1.00 0.00 O ATOM 1625 CB TRP A 133 9.174 5.094 2.333 1.00 0.00 C ATOM 1626 CG TRP A 133 8.877 3.747 1.746 1.00 0.00 C ATOM 1627 CD1 TRP A 133 9.681 3.069 0.905 1.00 0.00 C ATOM 1628 CD2 TRP A 133 7.720 2.888 1.958 1.00 0.00 C ATOM 1629 NE1 TRP A 133 9.098 1.873 0.540 1.00 0.00 N ATOM 1630 CE2 TRP A 133 7.880 1.714 1.162 1.00 0.00 C ATOM 1631 CE3 TRP A 133 6.527 3.017 2.694 1.00 0.00 C ATOM 1632 CZ2 TRP A 133 6.907 0.709 1.105 1.00 0.00 C ATOM 1633 CZ3 TRP A 133 5.538 2.016 2.639 1.00 0.00 C ATOM 1634 CH2 TRP A 133 5.728 0.869 1.851 1.00 0.00 C ATOM 0 H TRP A 133 11.218 6.421 1.973 1.00 0.00 H new ATOM 0 HA TRP A 133 9.835 5.508 4.324 1.00 0.00 H new ATOM 0 HB2 TRP A 133 8.257 5.471 2.785 1.00 0.00 H new ATOM 0 HB3 TRP A 133 9.426 5.767 1.514 1.00 0.00 H new ATOM 0 HD1 TRP A 133 10.646 3.413 0.564 1.00 0.00 H new ATOM 0 HE1 TRP A 133 9.513 1.199 -0.103 1.00 0.00 H new ATOM 0 HE3 TRP A 133 6.369 3.892 3.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 7.060 -0.172 0.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 4.627 2.131 3.207 1.00 0.00 H new ATOM 0 HH2 TRP A 133 4.964 0.107 1.819 1.00 0.00 H new ATOM 1645 N ASP A 134 12.233 3.677 3.372 1.00 0.00 N ATOM 1646 CA ASP A 134 12.993 2.436 3.264 1.00 0.00 C ATOM 1647 C ASP A 134 12.620 1.380 4.321 1.00 0.00 C ATOM 1648 O ASP A 134 13.153 1.395 5.430 1.00 0.00 O ATOM 1649 CB ASP A 134 14.504 2.726 3.162 1.00 0.00 C ATOM 1650 CG ASP A 134 15.200 3.226 4.426 1.00 0.00 C ATOM 1651 OD1 ASP A 134 15.976 2.433 5.015 1.00 0.00 O ATOM 1652 OD2 ASP A 134 15.093 4.425 4.751 1.00 0.00 O ATOM 0 H ASP A 134 12.813 4.482 3.133 1.00 0.00 H new ATOM 0 HA ASP A 134 12.701 1.960 2.328 1.00 0.00 H new ATOM 0 HB2 ASP A 134 15.003 1.813 2.839 1.00 0.00 H new ATOM 0 HB3 ASP A 134 14.655 3.467 2.377 1.00 0.00 H new ATOM 1658 N PRO A 135 11.687 0.450 4.023 1.00 0.00 N ATOM 1659 CA PRO A 135 11.075 -0.389 5.037 1.00 0.00 C ATOM 1660 C PRO A 135 12.020 -1.534 5.421 1.00 0.00 C ATOM 1661 O PRO A 135 12.322 -1.684 6.609 1.00 0.00 O ATOM 1662 CB PRO A 135 9.751 -0.873 4.445 1.00 0.00 C ATOM 1663 CG PRO A 135 10.007 -0.855 2.945 1.00 0.00 C ATOM 1664 CD PRO A 135 10.985 0.303 2.770 1.00 0.00 C ATOM 0 HA PRO A 135 10.884 0.150 5.965 1.00 0.00 H new ATOM 0 HB2 PRO A 135 9.495 -1.872 4.797 1.00 0.00 H new ATOM 0 HB3 PRO A 135 8.925 -0.217 4.719 1.00 0.00 H new ATOM 0 HG2 PRO A 135 10.432 -1.797 2.598 1.00 0.00 H new ATOM 0 HG3 PRO A 135 9.088 -0.694 2.382 1.00 0.00 H new ATOM 0 HD2 PRO A 135 11.683 0.100 1.958 1.00 0.00 H new ATOM 0 HD3 PRO A 135 10.456 1.221 2.514 1.00 0.00 H new ATOM 1672 N GLY A 136 12.514 -2.317 4.442 1.00 0.00 N ATOM 1673 CA GLY A 136 13.662 -3.188 4.655 1.00 0.00 C ATOM 1674 C GLY A 136 14.410 -3.368 3.343 1.00 0.00 C ATOM 1675 O GLY A 136 14.311 -4.431 2.735 1.00 0.00 O ATOM 0 H GLY A 136 12.128 -2.356 3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 136 14.323 -2.759 5.407 1.00 0.00 H new ATOM 0 HA3 GLY A 136 13.333 -4.155 5.034 1.00 0.00 H new ATOM 1679 N ILE A 137 15.089 -2.324 2.857 1.00 0.00 N ATOM 1680 CA ILE A 137 15.776 -2.369 1.563 1.00 0.00 C ATOM 1681 C ILE A 137 17.093 -3.124 1.737 1.00 0.00 C ATOM 1682 O ILE A 137 18.135 -2.507 1.960 1.00 0.00 O ATOM 1683 CB ILE A 137 15.998 -0.965 0.956 1.00 0.00 C ATOM 1684 CG1 ILE A 137 14.664 -0.206 0.831 1.00 0.00 C ATOM 1685 CG2 ILE A 137 16.654 -1.102 -0.437 1.00 0.00 C ATOM 1686 CD1 ILE A 137 14.856 1.187 0.226 1.00 0.00 C ATOM 0 H ILE A 137 15.177 -1.432 3.344 1.00 0.00 H new ATOM 0 HA ILE A 137 15.142 -2.895 0.849 1.00 0.00 H new ATOM 0 HB ILE A 137 16.655 -0.400 1.617 1.00 0.00 H new ATOM 0 HG12 ILE A 137 13.976 -0.780 0.210 1.00 0.00 H new ATOM 0 HG13 ILE A 137 14.204 -0.114 1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 137 16.810 -0.112 -0.865 1.00 0.00 H new ATOM 0 HG22 ILE A 137 17.613 -1.610 -0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 137 16.002 -1.681 -1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 137 13.891 1.689 0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 137 15.523 1.771 0.861 1.00 0.00 H new ATOM 0 HD13 ILE A 137 15.291 1.095 -0.769 1.00 0.00 H new ATOM 1698 N ASN A 138 17.028 -4.455 1.612 1.00 0.00 N ATOM 1699 CA ASN A 138 18.162 -5.384 1.657 1.00 0.00 C ATOM 1700 C ASN A 138 19.196 -4.993 2.718 1.00 0.00 C ATOM 1701 O ASN A 138 20.406 -5.041 2.485 1.00 0.00 O ATOM 1702 CB ASN A 138 18.762 -5.568 0.246 1.00 0.00 C ATOM 1703 CG ASN A 138 17.995 -6.597 -0.564 1.00 0.00 C ATOM 1704 OD1 ASN A 138 17.492 -6.323 -1.652 1.00 0.00 O ATOM 1705 ND2 ASN A 138 17.938 -7.822 -0.080 1.00 0.00 N ATOM 0 H ASN A 138 16.140 -4.936 1.470 1.00 0.00 H new ATOM 0 HA ASN A 138 17.794 -6.359 1.976 1.00 0.00 H new ATOM 0 HB2 ASN A 138 18.754 -4.613 -0.279 1.00 0.00 H new ATOM 0 HB3 ASN A 138 19.804 -5.876 0.332 1.00 0.00 H new ATOM 0 HD21 ASN A 138 17.472 -8.558 -0.610 1.00 0.00 H new ATOM 0 HD22 ASN A 138 18.360 -8.033 0.824 1.00 0.00 H new ATOM 1712 N ALA A 139 18.697 -4.567 3.876 1.00 0.00 N ATOM 1713 CA ALA A 139 19.476 -4.097 4.994 1.00 0.00 C ATOM 1714 C ALA A 139 19.419 -5.241 5.990 1.00 0.00 C ATOM 1715 O ALA A 139 18.671 -5.141 6.985 1.00 0.00 O ATOM 1716 CB ALA A 139 18.884 -2.757 5.474 1.00 0.00 C ATOM 0 H ALA A 139 17.694 -4.543 4.058 1.00 0.00 H new ATOM 0 HA ALA A 139 20.521 -3.868 4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 139 19.462 -2.386 6.321 1.00 0.00 H new ATOM 0 HB2 ALA A 139 18.923 -2.031 4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 139 17.848 -2.905 5.779 1.00 0.00 H new TER 1722 ALA A 139