USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 550 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 92 THR OG1 : rot 136:sc= 0.183 USER MOD Set 1.2: A 98 THR OG1 : rot 88:sc= 1.22 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0775 K(o=-0.077,f=-1.3!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0802 K(o=-0.08,f=-1.1) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -1.25 K(o=-1.3,f=-0.25) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.056 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.041 X(o=-0.041,f=0) USER MOD Single : A 69 MET CE :methyl 161:sc= -0.33 (180deg=-0.781) USER MOD Single : A 72 THR OG1 : rot 70:sc= 1.24 USER MOD Single : A 74 GLN : amide:sc= 0.197 X(o=0.2,f=-0.051) USER MOD Single : A 75 ASN : amide:sc= 0.91 K(o=0.91,f=-0.084) USER MOD Single : A 79 ASN : amide:sc= -0.522 X(o=-0.52,f=-0.35) USER MOD Single : A 81 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-7.3!) USER MOD Single : A 84 GLN : amide:sc= 0.732 K(o=0.73,f=-5.9!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 66:sc= 0.579 USER MOD Single : A 91 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= -0.013 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0.065 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 41 32.149 23.575 14.011 1.00 11.33 N ATOM 2 CA GLY A 41 32.304 23.132 12.621 1.00 54.32 C ATOM 3 C GLY A 41 31.759 24.197 11.699 1.00 40.31 C ATOM 4 O GLY A 41 31.941 25.378 11.984 1.00 54.21 O ATOM 0 HA2 GLY A 41 33.355 22.946 12.401 1.00 54.32 H new ATOM 0 HA3 GLY A 41 31.774 22.192 12.465 1.00 54.32 H new ATOM 8 N ALA A 42 31.143 23.794 10.588 1.00 22.34 N ATOM 9 CA ALA A 42 30.546 24.670 9.594 1.00 12.02 C ATOM 10 C ALA A 42 29.237 24.020 9.147 1.00 54.00 C ATOM 11 O ALA A 42 29.077 22.802 9.280 1.00 72.31 O ATOM 12 CB ALA A 42 31.506 24.860 8.412 1.00 14.24 C ATOM 0 H ALA A 42 31.045 22.807 10.351 1.00 22.34 H new ATOM 0 HA ALA A 42 30.349 25.659 10.008 1.00 12.02 H new ATOM 0 HB1 ALA A 42 31.048 25.518 7.674 1.00 14.24 H new ATOM 0 HB2 ALA A 42 32.436 25.304 8.767 1.00 14.24 H new ATOM 0 HB3 ALA A 42 31.717 23.893 7.955 1.00 14.24 H new ATOM 18 N MET A 43 28.315 24.827 8.631 1.00 70.43 N ATOM 19 CA MET A 43 27.009 24.394 8.158 1.00 3.42 C ATOM 20 C MET A 43 26.787 24.966 6.764 1.00 51.24 C ATOM 21 O MET A 43 27.434 25.936 6.370 1.00 44.14 O ATOM 22 CB MET A 43 25.907 24.883 9.120 1.00 22.14 C ATOM 23 CG MET A 43 26.011 24.266 10.519 1.00 64.12 C ATOM 24 SD MET A 43 25.759 22.474 10.548 1.00 3.11 S ATOM 25 CE MET A 43 26.307 22.101 12.232 1.00 54.42 C ATOM 0 H MET A 43 28.463 25.831 8.528 1.00 70.43 H new ATOM 0 HA MET A 43 26.968 23.305 8.121 1.00 3.42 H new ATOM 0 HB2 MET A 43 25.962 25.968 9.203 1.00 22.14 H new ATOM 0 HB3 MET A 43 24.931 24.645 8.696 1.00 22.14 H new ATOM 0 HG2 MET A 43 26.993 24.492 10.933 1.00 64.12 H new ATOM 0 HG3 MET A 43 25.274 24.738 11.170 1.00 64.12 H new ATOM 0 HE1 MET A 43 26.216 21.030 12.416 1.00 54.42 H new ATOM 0 HE2 MET A 43 27.348 22.402 12.351 1.00 54.42 H new ATOM 0 HE3 MET A 43 25.688 22.645 12.945 1.00 54.42 H new ATOM 35 N GLY A 44 25.851 24.367 6.038 1.00 60.23 N ATOM 36 CA GLY A 44 25.450 24.731 4.695 1.00 32.32 C ATOM 37 C GLY A 44 23.966 24.404 4.605 1.00 12.31 C ATOM 38 O GLY A 44 23.621 23.296 4.185 1.00 31.22 O ATOM 0 H GLY A 44 25.325 23.570 6.396 1.00 60.23 H new ATOM 0 HA2 GLY A 44 25.630 25.789 4.506 1.00 32.32 H new ATOM 0 HA3 GLY A 44 26.020 24.173 3.952 1.00 32.32 H new ATOM 42 N PRO A 45 23.075 25.283 5.088 1.00 15.22 N ATOM 43 CA PRO A 45 21.645 25.035 5.040 1.00 0.20 C ATOM 44 C PRO A 45 21.102 25.209 3.620 1.00 25.22 C ATOM 45 O PRO A 45 21.747 25.796 2.747 1.00 65.41 O ATOM 46 CB PRO A 45 21.045 26.068 5.991 1.00 31.33 C ATOM 47 CG PRO A 45 21.983 27.259 5.829 1.00 53.20 C ATOM 48 CD PRO A 45 23.349 26.607 5.627 1.00 1.35 C ATOM 0 HA PRO A 45 21.393 24.015 5.329 1.00 0.20 H new ATOM 0 HB2 PRO A 45 20.020 26.320 5.720 1.00 31.33 H new ATOM 0 HB3 PRO A 45 21.023 25.707 7.019 1.00 31.33 H new ATOM 0 HG2 PRO A 45 21.703 27.878 4.977 1.00 53.20 H new ATOM 0 HG3 PRO A 45 21.971 27.903 6.708 1.00 53.20 H new ATOM 0 HD2 PRO A 45 23.964 27.190 4.941 1.00 1.35 H new ATOM 0 HD3 PRO A 45 23.895 26.542 6.568 1.00 1.35 H new ATOM 56 N GLN A 46 19.912 24.664 3.386 1.00 3.22 N ATOM 57 CA GLN A 46 19.224 24.751 2.107 1.00 70.55 C ATOM 58 C GLN A 46 18.414 26.045 2.059 1.00 52.24 C ATOM 59 O GLN A 46 18.181 26.676 3.093 1.00 14.52 O ATOM 60 CB GLN A 46 18.340 23.509 1.893 1.00 1.04 C ATOM 61 CG GLN A 46 17.312 23.218 3.014 1.00 4.50 C ATOM 62 CD GLN A 46 16.803 21.775 2.977 1.00 44.21 C ATOM 63 OE1 GLN A 46 17.530 20.859 2.595 1.00 73.14 O ATOM 64 NE2 GLN A 46 15.588 21.505 3.413 1.00 14.44 N ATOM 0 H GLN A 46 19.393 24.142 4.092 1.00 3.22 H new ATOM 0 HA GLN A 46 19.949 24.773 1.294 1.00 70.55 H new ATOM 0 HB2 GLN A 46 17.802 23.626 0.952 1.00 1.04 H new ATOM 0 HB3 GLN A 46 18.987 22.639 1.784 1.00 1.04 H new ATOM 0 HG2 GLN A 46 17.770 23.414 3.983 1.00 4.50 H new ATOM 0 HG3 GLN A 46 16.468 23.901 2.916 1.00 4.50 H new ATOM 0 HE21 GLN A 46 14.981 22.260 3.731 1.00 14.44 H new ATOM 0 HE22 GLN A 46 15.256 20.541 3.432 1.00 14.44 H new ATOM 73 N GLY A 47 17.993 26.436 0.855 1.00 22.25 N ATOM 74 CA GLY A 47 17.193 27.628 0.639 1.00 14.23 C ATOM 75 C GLY A 47 15.776 27.280 1.072 1.00 13.11 C ATOM 76 O GLY A 47 15.397 27.488 2.220 1.00 51.13 O ATOM 0 H GLY A 47 18.204 25.924 -0.002 1.00 22.25 H new ATOM 0 HA2 GLY A 47 17.581 28.466 1.218 1.00 14.23 H new ATOM 0 HA3 GLY A 47 17.216 27.927 -0.409 1.00 14.23 H new ATOM 80 N SER A 48 14.989 26.730 0.155 1.00 31.11 N ATOM 81 CA SER A 48 13.614 26.299 0.361 1.00 12.41 C ATOM 82 C SER A 48 13.350 25.099 -0.560 1.00 12.34 C ATOM 83 O SER A 48 14.238 24.695 -1.323 1.00 5.24 O ATOM 84 CB SER A 48 12.651 27.474 0.145 1.00 1.23 C ATOM 85 OG SER A 48 12.913 28.504 1.092 1.00 20.11 O ATOM 0 H SER A 48 15.310 26.565 -0.799 1.00 31.11 H new ATOM 0 HA SER A 48 13.445 25.973 1.387 1.00 12.41 H new ATOM 0 HB2 SER A 48 12.762 27.863 -0.867 1.00 1.23 H new ATOM 0 HB3 SER A 48 11.621 27.132 0.244 1.00 1.23 H new ATOM 0 HG SER A 48 12.294 29.249 0.944 1.00 20.11 H new ATOM 91 N THR A 49 12.165 24.487 -0.486 1.00 75.31 N ATOM 92 CA THR A 49 11.821 23.334 -1.312 1.00 33.43 C ATOM 93 C THR A 49 11.955 23.704 -2.793 1.00 34.14 C ATOM 94 O THR A 49 11.488 24.763 -3.231 1.00 51.52 O ATOM 95 CB THR A 49 10.427 22.801 -0.929 1.00 22.20 C ATOM 96 OG1 THR A 49 10.091 21.661 -1.690 1.00 24.23 O ATOM 97 CG2 THR A 49 9.294 23.818 -1.080 1.00 65.35 C ATOM 0 H THR A 49 11.421 24.779 0.148 1.00 75.31 H new ATOM 0 HA THR A 49 12.516 22.514 -1.130 1.00 33.43 H new ATOM 0 HB THR A 49 10.515 22.559 0.130 1.00 22.20 H new ATOM 0 HG1 THR A 49 9.203 21.342 -1.426 1.00 24.23 H new ATOM 0 HG21 THR A 49 8.350 23.357 -0.789 1.00 65.35 H new ATOM 0 HG22 THR A 49 9.490 24.679 -0.441 1.00 65.35 H new ATOM 0 HG23 THR A 49 9.234 24.144 -2.118 1.00 65.35 H new ATOM 105 N GLN A 50 12.626 22.848 -3.558 1.00 53.02 N ATOM 106 CA GLN A 50 12.855 23.018 -4.982 1.00 62.10 C ATOM 107 C GLN A 50 12.453 21.717 -5.672 1.00 42.51 C ATOM 108 O GLN A 50 12.592 20.624 -5.103 1.00 44.22 O ATOM 109 CB GLN A 50 14.338 23.372 -5.219 1.00 53.14 C ATOM 110 CG GLN A 50 14.631 23.734 -6.682 1.00 11.30 C ATOM 111 CD GLN A 50 16.089 24.105 -6.912 1.00 11.21 C ATOM 112 OE1 GLN A 50 16.474 25.268 -6.809 1.00 62.33 O ATOM 113 NE2 GLN A 50 16.942 23.136 -7.199 1.00 45.31 N ATOM 0 H GLN A 50 13.037 21.991 -3.188 1.00 53.02 H new ATOM 0 HA GLN A 50 12.260 23.833 -5.395 1.00 62.10 H new ATOM 0 HB2 GLN A 50 14.615 24.210 -4.579 1.00 53.14 H new ATOM 0 HB3 GLN A 50 14.961 22.527 -4.926 1.00 53.14 H new ATOM 0 HG2 GLN A 50 14.369 22.890 -7.321 1.00 11.30 H new ATOM 0 HG3 GLN A 50 13.996 24.568 -6.980 1.00 11.30 H new ATOM 0 HE21 GLN A 50 16.612 22.174 -7.282 1.00 45.31 H new ATOM 0 HE22 GLN A 50 17.930 23.350 -7.337 1.00 45.31 H new ATOM 122 N ASN A 51 11.938 21.817 -6.894 1.00 63.54 N ATOM 123 CA ASN A 51 11.529 20.681 -7.702 1.00 13.25 C ATOM 124 C ASN A 51 12.763 20.213 -8.475 1.00 71.43 C ATOM 125 O ASN A 51 12.812 20.286 -9.702 1.00 22.20 O ATOM 126 CB ASN A 51 10.358 21.063 -8.616 1.00 52.15 C ATOM 127 CG ASN A 51 9.902 19.862 -9.434 1.00 41.11 C ATOM 128 OD1 ASN A 51 10.021 18.716 -9.006 1.00 64.01 O ATOM 129 ND2 ASN A 51 9.411 20.086 -10.634 1.00 61.21 N ATOM 0 H ASN A 51 11.791 22.714 -7.358 1.00 63.54 H new ATOM 0 HA ASN A 51 11.161 19.861 -7.085 1.00 13.25 H new ATOM 0 HB2 ASN A 51 9.528 21.437 -8.016 1.00 52.15 H new ATOM 0 HB3 ASN A 51 10.659 21.871 -9.283 1.00 52.15 H new ATOM 0 HD21 ASN A 51 9.124 19.303 -11.222 1.00 61.21 H new ATOM 0 HD22 ASN A 51 9.318 21.042 -10.977 1.00 61.21 H new ATOM 136 N ALA A 52 13.817 19.816 -7.754 1.00 23.30 N ATOM 137 CA ALA A 52 15.065 19.350 -8.350 1.00 4.21 C ATOM 138 C ALA A 52 14.828 18.073 -9.168 1.00 70.53 C ATOM 139 O ALA A 52 13.751 17.466 -9.113 1.00 24.52 O ATOM 140 CB ALA A 52 16.113 19.137 -7.248 1.00 62.11 C ATOM 0 H ALA A 52 13.824 19.811 -6.734 1.00 23.30 H new ATOM 0 HA ALA A 52 15.444 20.106 -9.038 1.00 4.21 H new ATOM 0 HB1 ALA A 52 17.045 18.789 -7.694 1.00 62.11 H new ATOM 0 HB2 ALA A 52 16.290 20.078 -6.727 1.00 62.11 H new ATOM 0 HB3 ALA A 52 15.750 18.393 -6.539 1.00 62.11 H new ATOM 146 N LEU A 53 15.846 17.629 -9.901 1.00 1.53 N ATOM 147 CA LEU A 53 15.786 16.437 -10.741 1.00 24.15 C ATOM 148 C LEU A 53 17.150 15.762 -10.809 1.00 22.34 C ATOM 149 O LEU A 53 17.552 15.224 -11.840 1.00 13.41 O ATOM 150 CB LEU A 53 15.248 16.787 -12.133 1.00 75.22 C ATOM 151 CG LEU A 53 16.058 17.813 -12.960 1.00 33.22 C ATOM 152 CD1 LEU A 53 15.784 17.589 -14.449 1.00 14.11 C ATOM 153 CD2 LEU A 53 15.675 19.264 -12.640 1.00 53.42 C ATOM 0 H LEU A 53 16.752 18.097 -9.928 1.00 1.53 H new ATOM 0 HA LEU A 53 15.093 15.724 -10.294 1.00 24.15 H new ATOM 0 HB2 LEU A 53 15.178 15.865 -12.711 1.00 75.22 H new ATOM 0 HB3 LEU A 53 14.234 17.169 -12.018 1.00 75.22 H new ATOM 0 HG LEU A 53 17.108 17.663 -12.707 1.00 33.22 H new ATOM 0 HD11 LEU A 53 16.353 18.310 -15.036 1.00 14.11 H new ATOM 0 HD12 LEU A 53 16.084 16.578 -14.726 1.00 14.11 H new ATOM 0 HD13 LEU A 53 14.720 17.719 -14.647 1.00 14.11 H new ATOM 0 HD21 LEU A 53 16.274 19.941 -13.249 1.00 53.42 H new ATOM 0 HD22 LEU A 53 14.618 19.418 -12.859 1.00 53.42 H new ATOM 0 HD23 LEU A 53 15.860 19.465 -11.585 1.00 53.42 H new ATOM 165 N ARG A 54 17.861 15.759 -9.687 1.00 34.32 N ATOM 166 CA ARG A 54 19.202 15.190 -9.575 1.00 23.42 C ATOM 167 C ARG A 54 19.365 14.262 -8.368 1.00 14.01 C ATOM 168 O ARG A 54 20.487 14.093 -7.890 1.00 51.20 O ATOM 169 CB ARG A 54 20.174 16.382 -9.549 1.00 12.44 C ATOM 170 CG ARG A 54 21.592 16.037 -10.018 1.00 11.44 C ATOM 171 CD ARG A 54 22.596 17.000 -9.384 1.00 60.42 C ATOM 172 NE ARG A 54 23.894 16.897 -10.060 1.00 4.30 N ATOM 173 CZ ARG A 54 25.013 16.305 -9.637 1.00 1.25 C ATOM 174 NH1 ARG A 54 25.102 15.789 -8.415 1.00 33.45 N ATOM 175 NH2 ARG A 54 26.046 16.240 -10.463 1.00 5.14 N ATOM 0 H ARG A 54 17.517 16.158 -8.814 1.00 34.32 H new ATOM 0 HA ARG A 54 19.411 14.539 -10.424 1.00 23.42 H new ATOM 0 HB2 ARG A 54 19.776 17.177 -10.180 1.00 12.44 H new ATOM 0 HB3 ARG A 54 20.223 16.776 -8.534 1.00 12.44 H new ATOM 0 HG2 ARG A 54 21.836 15.011 -9.744 1.00 11.44 H new ATOM 0 HG3 ARG A 54 21.651 16.099 -11.105 1.00 11.44 H new ATOM 0 HD2 ARG A 54 22.223 18.022 -9.451 1.00 60.42 H new ATOM 0 HD3 ARG A 54 22.711 16.772 -8.324 1.00 60.42 H new ATOM 0 HE ARG A 54 23.949 17.338 -10.978 1.00 4.30 H new ATOM 0 HH11 ARG A 54 24.305 15.841 -7.780 1.00 33.45 H new ATOM 0 HH12 ARG A 54 25.967 15.341 -8.112 1.00 33.45 H new ATOM 0 HH21 ARG A 54 25.976 16.637 -11.400 1.00 5.14 H new ATOM 0 HH22 ARG A 54 26.912 15.793 -10.162 1.00 5.14 H new ATOM 189 N ARG A 55 18.304 13.597 -7.897 1.00 52.21 N ATOM 190 CA ARG A 55 18.338 12.699 -6.729 1.00 23.25 C ATOM 191 C ARG A 55 18.775 13.515 -5.500 1.00 72.23 C ATOM 192 O ARG A 55 19.534 13.039 -4.648 1.00 11.14 O ATOM 193 CB ARG A 55 19.224 11.469 -7.022 1.00 4.52 C ATOM 194 CG ARG A 55 19.002 10.283 -6.071 1.00 65.41 C ATOM 195 CD ARG A 55 20.170 9.291 -6.174 1.00 34.30 C ATOM 196 NE ARG A 55 21.405 9.801 -5.541 1.00 14.11 N ATOM 197 CZ ARG A 55 22.615 9.226 -5.597 1.00 22.41 C ATOM 198 NH1 ARG A 55 22.800 8.087 -6.256 1.00 41.30 N ATOM 199 NH2 ARG A 55 23.658 9.791 -5.002 1.00 24.02 N ATOM 0 H ARG A 55 17.379 13.667 -8.322 1.00 52.21 H new ATOM 0 HA ARG A 55 17.350 12.293 -6.512 1.00 23.25 H new ATOM 0 HB2 ARG A 55 19.038 11.139 -8.044 1.00 4.52 H new ATOM 0 HB3 ARG A 55 20.270 11.770 -6.969 1.00 4.52 H new ATOM 0 HG2 ARG A 55 18.910 10.642 -5.046 1.00 65.41 H new ATOM 0 HG3 ARG A 55 18.067 9.781 -6.317 1.00 65.41 H new ATOM 0 HD2 ARG A 55 19.886 8.350 -5.702 1.00 34.30 H new ATOM 0 HD3 ARG A 55 20.367 9.074 -7.224 1.00 34.30 H new ATOM 0 HE ARG A 55 21.330 10.670 -5.013 1.00 14.11 H new ATOM 0 HH11 ARG A 55 22.015 7.638 -6.728 1.00 41.30 H new ATOM 0 HH12 ARG A 55 23.727 7.662 -6.290 1.00 41.30 H new ATOM 0 HH21 ARG A 55 23.543 10.670 -4.497 1.00 24.02 H new ATOM 0 HH22 ARG A 55 24.575 9.347 -5.050 1.00 24.02 H new ATOM 213 N THR A 56 18.266 14.742 -5.408 1.00 42.03 N ATOM 214 CA THR A 56 18.547 15.722 -4.366 1.00 61.05 C ATOM 215 C THR A 56 17.266 16.303 -3.748 1.00 54.24 C ATOM 216 O THR A 56 17.301 17.355 -3.106 1.00 41.31 O ATOM 217 CB THR A 56 19.464 16.803 -4.972 1.00 41.43 C ATOM 218 OG1 THR A 56 18.970 17.211 -6.240 1.00 74.31 O ATOM 219 CG2 THR A 56 20.897 16.287 -5.157 1.00 73.33 C ATOM 0 H THR A 56 17.608 15.098 -6.101 1.00 42.03 H new ATOM 0 HA THR A 56 19.057 15.241 -3.532 1.00 61.05 H new ATOM 0 HB THR A 56 19.474 17.643 -4.278 1.00 41.43 H new ATOM 0 HG1 THR A 56 19.559 17.899 -6.615 1.00 74.31 H new ATOM 0 HG21 THR A 56 21.515 17.076 -5.586 1.00 73.33 H new ATOM 0 HG22 THR A 56 21.305 15.992 -4.190 1.00 73.33 H new ATOM 0 HG23 THR A 56 20.890 15.427 -5.826 1.00 73.33 H new ATOM 227 N GLY A 57 16.111 15.665 -3.964 1.00 32.40 N ATOM 228 CA GLY A 57 14.825 16.095 -3.430 1.00 54.42 C ATOM 229 C GLY A 57 14.070 14.905 -2.854 1.00 51.31 C ATOM 230 O GLY A 57 14.438 13.745 -3.073 1.00 21.23 O ATOM 0 H GLY A 57 16.048 14.817 -4.528 1.00 32.40 H new ATOM 0 HA2 GLY A 57 14.978 16.847 -2.656 1.00 54.42 H new ATOM 0 HA3 GLY A 57 14.234 16.563 -4.217 1.00 54.42 H new ATOM 234 N ARG A 58 12.978 15.182 -2.140 1.00 52.10 N ATOM 235 CA ARG A 58 12.121 14.194 -1.477 1.00 51.21 C ATOM 236 C ARG A 58 11.337 13.269 -2.387 1.00 21.53 C ATOM 237 O ARG A 58 10.630 12.396 -1.886 1.00 23.32 O ATOM 238 CB ARG A 58 11.186 14.895 -0.464 1.00 72.33 C ATOM 239 CG ARG A 58 11.853 15.878 0.508 1.00 20.34 C ATOM 240 CD ARG A 58 12.994 15.194 1.259 1.00 40.13 C ATOM 241 NE ARG A 58 13.559 16.039 2.315 1.00 62.44 N ATOM 242 CZ ARG A 58 14.430 15.612 3.235 1.00 13.55 C ATOM 243 NH1 ARG A 58 14.891 14.366 3.199 1.00 72.45 N ATOM 244 NH2 ARG A 58 14.826 16.456 4.178 1.00 60.30 N ATOM 0 H ARG A 58 12.652 16.139 -2.001 1.00 52.10 H new ATOM 0 HA ARG A 58 12.814 13.527 -0.964 1.00 51.21 H new ATOM 0 HB2 ARG A 58 10.419 15.432 -1.021 1.00 72.33 H new ATOM 0 HB3 ARG A 58 10.677 14.128 0.120 1.00 72.33 H new ATOM 0 HG2 ARG A 58 12.235 16.739 -0.041 1.00 20.34 H new ATOM 0 HG3 ARG A 58 11.116 16.254 1.218 1.00 20.34 H new ATOM 0 HD2 ARG A 58 12.630 14.265 1.698 1.00 40.13 H new ATOM 0 HD3 ARG A 58 13.780 14.927 0.553 1.00 40.13 H new ATOM 0 HE ARG A 58 13.269 17.016 2.350 1.00 62.44 H new ATOM 0 HH11 ARG A 58 14.580 13.728 2.466 1.00 72.45 H new ATOM 0 HH12 ARG A 58 15.555 14.047 3.904 1.00 72.45 H new ATOM 0 HH21 ARG A 58 14.467 17.410 4.192 1.00 60.30 H new ATOM 0 HH22 ARG A 58 15.490 16.151 4.890 1.00 60.30 H new ATOM 258 N VAL A 59 11.484 13.430 -3.691 1.00 13.24 N ATOM 259 CA VAL A 59 10.804 12.631 -4.693 1.00 10.30 C ATOM 260 C VAL A 59 11.431 11.236 -4.794 1.00 71.45 C ATOM 261 O VAL A 59 12.225 10.921 -5.677 1.00 22.52 O ATOM 262 CB VAL A 59 10.697 13.393 -6.033 1.00 21.30 C ATOM 263 CG1 VAL A 59 9.816 14.640 -5.857 1.00 25.43 C ATOM 264 CG2 VAL A 59 12.059 13.844 -6.587 1.00 75.50 C ATOM 0 H VAL A 59 12.097 14.140 -4.092 1.00 13.24 H new ATOM 0 HA VAL A 59 9.773 12.460 -4.384 1.00 10.30 H new ATOM 0 HB VAL A 59 10.260 12.693 -6.745 1.00 21.30 H new ATOM 0 HG11 VAL A 59 9.745 15.172 -6.806 1.00 25.43 H new ATOM 0 HG12 VAL A 59 8.819 14.339 -5.535 1.00 25.43 H new ATOM 0 HG13 VAL A 59 10.258 15.295 -5.106 1.00 25.43 H new ATOM 0 HG21 VAL A 59 11.912 14.373 -7.529 1.00 75.50 H new ATOM 0 HG22 VAL A 59 12.542 14.508 -5.870 1.00 75.50 H new ATOM 0 HG23 VAL A 59 12.690 12.971 -6.755 1.00 75.50 H new ATOM 274 N ASN A 60 11.160 10.410 -3.795 1.00 33.42 N ATOM 275 CA ASN A 60 11.620 9.036 -3.688 1.00 22.00 C ATOM 276 C ASN A 60 10.411 8.216 -4.110 1.00 45.31 C ATOM 277 O ASN A 60 9.329 8.445 -3.568 1.00 71.20 O ATOM 278 CB ASN A 60 12.062 8.754 -2.238 1.00 23.20 C ATOM 279 CG ASN A 60 13.572 8.727 -2.083 1.00 71.52 C ATOM 280 OD1 ASN A 60 14.115 7.861 -1.401 1.00 5.41 O ATOM 281 ND2 ASN A 60 14.280 9.660 -2.700 1.00 64.12 N ATOM 0 H ASN A 60 10.587 10.694 -3.001 1.00 33.42 H new ATOM 0 HA ASN A 60 12.486 8.801 -4.307 1.00 22.00 H new ATOM 0 HB2 ASN A 60 11.647 9.518 -1.580 1.00 23.20 H new ATOM 0 HB3 ASN A 60 11.650 7.798 -1.916 1.00 23.20 H new ATOM 0 HD21 ASN A 60 15.296 9.669 -2.614 1.00 64.12 H new ATOM 0 HD22 ASN A 60 13.809 10.370 -3.261 1.00 64.12 H new ATOM 288 N GLY A 61 10.551 7.304 -5.074 1.00 42.12 N ATOM 289 CA GLY A 61 9.439 6.485 -5.544 1.00 1.05 C ATOM 290 C GLY A 61 9.879 5.081 -5.937 1.00 4.23 C ATOM 291 O GLY A 61 9.714 4.691 -7.095 1.00 72.14 O ATOM 0 H GLY A 61 11.435 7.115 -5.547 1.00 42.12 H new ATOM 0 HA2 GLY A 61 8.683 6.420 -4.762 1.00 1.05 H new ATOM 0 HA3 GLY A 61 8.971 6.970 -6.401 1.00 1.05 H new ATOM 295 N GLY A 62 10.442 4.318 -5.002 1.00 11.34 N ATOM 296 CA GLY A 62 10.907 2.962 -5.229 1.00 11.31 C ATOM 297 C GLY A 62 11.769 2.462 -4.076 1.00 71.12 C ATOM 298 O GLY A 62 12.875 2.967 -3.880 1.00 5.12 O ATOM 0 H GLY A 62 10.588 4.638 -4.045 1.00 11.34 H new ATOM 0 HA2 GLY A 62 10.051 2.300 -5.357 1.00 11.31 H new ATOM 0 HA3 GLY A 62 11.480 2.924 -6.155 1.00 11.31 H new ATOM 302 N HIS A 63 11.236 1.540 -3.276 1.00 12.10 N ATOM 303 CA HIS A 63 11.876 0.898 -2.132 1.00 64.14 C ATOM 304 C HIS A 63 11.680 -0.615 -2.258 1.00 43.35 C ATOM 305 O HIS A 63 10.704 -1.034 -2.881 1.00 51.21 O ATOM 306 CB HIS A 63 11.255 1.392 -0.819 1.00 22.34 C ATOM 307 CG HIS A 63 11.631 2.802 -0.465 1.00 62.13 C ATOM 308 ND1 HIS A 63 12.887 3.266 -0.144 1.00 21.35 N ATOM 309 CD2 HIS A 63 10.771 3.856 -0.395 1.00 2.24 C ATOM 310 CE1 HIS A 63 12.778 4.581 0.105 1.00 31.21 C ATOM 311 NE2 HIS A 63 11.510 4.995 -0.062 1.00 3.51 N ATOM 0 H HIS A 63 10.285 1.201 -3.420 1.00 12.10 H new ATOM 0 HA HIS A 63 12.937 1.146 -2.121 1.00 64.14 H new ATOM 0 HB2 HIS A 63 10.170 1.323 -0.892 1.00 22.34 H new ATOM 0 HB3 HIS A 63 11.563 0.729 -0.010 1.00 22.34 H new ATOM 0 HD2 HIS A 63 9.705 3.818 -0.567 1.00 2.24 H new ATOM 0 HE1 HIS A 63 13.598 5.219 0.399 1.00 31.21 H new ATOM 0 HE2 HIS A 63 11.158 5.948 0.035 1.00 3.51 H new ATOM 319 N PRO A 64 12.534 -1.453 -1.652 1.00 14.01 N ATOM 320 CA PRO A 64 12.372 -2.898 -1.718 1.00 21.12 C ATOM 321 C PRO A 64 11.225 -3.318 -0.786 1.00 21.35 C ATOM 322 O PRO A 64 11.260 -3.043 0.416 1.00 71.03 O ATOM 323 CB PRO A 64 13.717 -3.459 -1.245 1.00 23.44 C ATOM 324 CG PRO A 64 14.243 -2.378 -0.298 1.00 42.00 C ATOM 325 CD PRO A 64 13.726 -1.082 -0.909 1.00 14.02 C ATOM 0 HA PRO A 64 12.121 -3.264 -2.713 1.00 21.12 H new ATOM 0 HB2 PRO A 64 13.596 -4.415 -0.735 1.00 23.44 H new ATOM 0 HB3 PRO A 64 14.398 -3.627 -2.080 1.00 23.44 H new ATOM 0 HG2 PRO A 64 13.871 -2.519 0.717 1.00 42.00 H new ATOM 0 HG3 PRO A 64 15.332 -2.389 -0.243 1.00 42.00 H new ATOM 0 HD2 PRO A 64 13.495 -0.349 -0.137 1.00 14.02 H new ATOM 0 HD3 PRO A 64 14.472 -0.631 -1.563 1.00 14.02 H new ATOM 333 N VAL A 65 10.236 -4.050 -1.301 1.00 4.52 N ATOM 334 CA VAL A 65 9.093 -4.518 -0.509 1.00 43.12 C ATOM 335 C VAL A 65 8.944 -6.025 -0.658 1.00 34.34 C ATOM 336 O VAL A 65 9.467 -6.625 -1.607 1.00 14.32 O ATOM 337 CB VAL A 65 7.807 -3.714 -0.809 1.00 24.30 C ATOM 338 CG1 VAL A 65 8.058 -2.204 -0.694 1.00 11.21 C ATOM 339 CG2 VAL A 65 7.169 -4.008 -2.173 1.00 34.31 C ATOM 0 H VAL A 65 10.203 -4.336 -2.279 1.00 4.52 H new ATOM 0 HA VAL A 65 9.284 -4.326 0.547 1.00 43.12 H new ATOM 0 HB VAL A 65 7.098 -4.047 -0.051 1.00 24.30 H new ATOM 0 HG11 VAL A 65 7.136 -1.664 -0.910 1.00 11.21 H new ATOM 0 HG12 VAL A 65 8.389 -1.966 0.317 1.00 11.21 H new ATOM 0 HG13 VAL A 65 8.828 -1.908 -1.407 1.00 11.21 H new ATOM 0 HG21 VAL A 65 6.274 -3.399 -2.295 1.00 34.31 H new ATOM 0 HG22 VAL A 65 7.879 -3.772 -2.965 1.00 34.31 H new ATOM 0 HG23 VAL A 65 6.900 -5.063 -2.229 1.00 34.31 H new ATOM 349 N THR A 66 8.222 -6.627 0.280 1.00 60.50 N ATOM 350 CA THR A 66 7.937 -8.050 0.386 1.00 41.34 C ATOM 351 C THR A 66 6.426 -8.272 0.457 1.00 12.11 C ATOM 352 O THR A 66 5.689 -7.319 0.726 1.00 34.35 O ATOM 353 CB THR A 66 8.670 -8.543 1.647 1.00 70.44 C ATOM 354 OG1 THR A 66 8.485 -7.634 2.720 1.00 44.32 O ATOM 355 CG2 THR A 66 10.171 -8.632 1.363 1.00 0.22 C ATOM 0 H THR A 66 7.792 -6.096 1.037 1.00 60.50 H new ATOM 0 HA THR A 66 8.283 -8.611 -0.482 1.00 41.34 H new ATOM 0 HB THR A 66 8.265 -9.519 1.915 1.00 70.44 H new ATOM 0 HG1 THR A 66 8.956 -7.964 3.513 1.00 44.32 H new ATOM 0 HG21 THR A 66 10.690 -8.981 2.256 1.00 0.22 H new ATOM 0 HG22 THR A 66 10.346 -9.331 0.545 1.00 0.22 H new ATOM 0 HG23 THR A 66 10.548 -7.648 1.086 1.00 0.22 H new ATOM 363 N THR A 67 5.946 -9.498 0.237 1.00 45.13 N ATOM 364 CA THR A 67 4.521 -9.821 0.295 1.00 61.53 C ATOM 365 C THR A 67 3.945 -9.497 1.684 1.00 54.33 C ATOM 366 O THR A 67 2.847 -8.950 1.772 1.00 13.52 O ATOM 367 CB THR A 67 4.346 -11.308 -0.060 1.00 22.40 C ATOM 368 OG1 THR A 67 4.884 -11.572 -1.347 1.00 22.32 O ATOM 369 CG2 THR A 67 2.885 -11.764 -0.083 1.00 72.51 C ATOM 0 H THR A 67 6.539 -10.297 0.013 1.00 45.13 H new ATOM 0 HA THR A 67 3.969 -9.214 -0.423 1.00 61.53 H new ATOM 0 HB THR A 67 4.870 -11.855 0.724 1.00 22.40 H new ATOM 0 HG1 THR A 67 4.769 -12.521 -1.561 1.00 22.32 H new ATOM 0 HG21 THR A 67 2.838 -12.822 -0.340 1.00 72.51 H new ATOM 0 HG22 THR A 67 2.440 -11.610 0.900 1.00 72.51 H new ATOM 0 HG23 THR A 67 2.335 -11.185 -0.825 1.00 72.51 H new ATOM 377 N GLN A 68 4.697 -9.769 2.759 1.00 51.15 N ATOM 378 CA GLN A 68 4.260 -9.515 4.134 1.00 12.44 C ATOM 379 C GLN A 68 3.894 -8.044 4.357 1.00 32.10 C ATOM 380 O GLN A 68 2.991 -7.732 5.135 1.00 73.21 O ATOM 381 CB GLN A 68 5.338 -9.979 5.122 1.00 41.52 C ATOM 382 CG GLN A 68 6.609 -9.108 5.065 1.00 74.12 C ATOM 383 CD GLN A 68 7.883 -9.916 5.248 1.00 10.52 C ATOM 384 OE1 GLN A 68 8.647 -9.697 6.178 1.00 71.43 O ATOM 385 NE2 GLN A 68 8.156 -10.835 4.339 1.00 41.52 N ATOM 0 H GLN A 68 5.631 -10.174 2.696 1.00 51.15 H new ATOM 0 HA GLN A 68 3.352 -10.092 4.312 1.00 12.44 H new ATOM 0 HB2 GLN A 68 4.932 -9.957 6.133 1.00 41.52 H new ATOM 0 HB3 GLN A 68 5.602 -11.014 4.907 1.00 41.52 H new ATOM 0 HG2 GLN A 68 6.647 -8.590 4.107 1.00 74.12 H new ATOM 0 HG3 GLN A 68 6.555 -8.343 5.839 1.00 74.12 H new ATOM 0 HE21 GLN A 68 7.505 -11.002 3.571 1.00 41.52 H new ATOM 0 HE22 GLN A 68 9.017 -11.377 4.405 1.00 41.52 H new ATOM 394 N MET A 69 4.574 -7.106 3.692 1.00 42.30 N ATOM 395 CA MET A 69 4.225 -5.710 3.873 1.00 12.15 C ATOM 396 C MET A 69 2.810 -5.505 3.308 1.00 43.31 C ATOM 397 O MET A 69 1.971 -4.892 3.982 1.00 34.21 O ATOM 398 CB MET A 69 5.268 -4.814 3.198 1.00 44.32 C ATOM 399 CG MET A 69 6.636 -4.820 3.889 1.00 21.32 C ATOM 400 SD MET A 69 7.943 -3.973 2.952 1.00 51.23 S ATOM 401 CE MET A 69 7.381 -2.242 3.002 1.00 71.02 C ATOM 0 H MET A 69 5.343 -7.286 3.046 1.00 42.30 H new ATOM 0 HA MET A 69 4.224 -5.434 4.927 1.00 12.15 H new ATOM 0 HB2 MET A 69 5.393 -5.135 2.164 1.00 44.32 H new ATOM 0 HB3 MET A 69 4.891 -3.792 3.171 1.00 44.32 H new ATOM 0 HG2 MET A 69 6.540 -4.347 4.866 1.00 21.32 H new ATOM 0 HG3 MET A 69 6.939 -5.853 4.063 1.00 21.32 H new ATOM 0 HE1 MET A 69 8.218 -1.581 2.777 1.00 71.02 H new ATOM 0 HE2 MET A 69 6.593 -2.094 2.263 1.00 71.02 H new ATOM 0 HE3 MET A 69 6.995 -2.013 3.995 1.00 71.02 H new ATOM 411 N VAL A 70 2.542 -6.027 2.095 1.00 21.22 N ATOM 412 CA VAL A 70 1.275 -5.933 1.360 1.00 13.44 C ATOM 413 C VAL A 70 0.129 -6.354 2.255 1.00 72.43 C ATOM 414 O VAL A 70 -0.764 -5.548 2.518 1.00 64.45 O ATOM 415 CB VAL A 70 1.296 -6.719 0.025 1.00 12.04 C ATOM 416 CG1 VAL A 70 0.068 -6.413 -0.832 1.00 15.23 C ATOM 417 CG2 VAL A 70 2.566 -6.446 -0.782 1.00 1.50 C ATOM 0 H VAL A 70 3.246 -6.554 1.577 1.00 21.22 H new ATOM 0 HA VAL A 70 1.128 -4.891 1.077 1.00 13.44 H new ATOM 0 HB VAL A 70 1.280 -7.775 0.295 1.00 12.04 H new ATOM 0 HG11 VAL A 70 0.120 -6.983 -1.759 1.00 15.23 H new ATOM 0 HG12 VAL A 70 -0.834 -6.689 -0.286 1.00 15.23 H new ATOM 0 HG13 VAL A 70 0.041 -5.348 -1.062 1.00 15.23 H new ATOM 0 HG21 VAL A 70 2.538 -7.018 -1.710 1.00 1.50 H new ATOM 0 HG22 VAL A 70 2.629 -5.383 -1.013 1.00 1.50 H new ATOM 0 HG23 VAL A 70 3.438 -6.743 -0.199 1.00 1.50 H new ATOM 427 N GLU A 71 0.189 -7.584 2.755 1.00 2.22 N ATOM 428 CA GLU A 71 -0.859 -8.108 3.615 1.00 73.42 C ATOM 429 C GLU A 71 -1.006 -7.247 4.866 1.00 12.43 C ATOM 430 O GLU A 71 -2.134 -7.023 5.287 1.00 61.23 O ATOM 431 CB GLU A 71 -0.676 -9.591 3.952 1.00 1.30 C ATOM 432 CG GLU A 71 0.737 -9.960 4.363 1.00 43.51 C ATOM 433 CD GLU A 71 0.794 -11.280 5.124 1.00 4.44 C ATOM 434 OE1 GLU A 71 0.350 -11.339 6.291 1.00 40.12 O ATOM 435 OE2 GLU A 71 1.244 -12.285 4.526 1.00 20.22 O ATOM 0 H GLU A 71 0.954 -8.235 2.578 1.00 2.22 H new ATOM 0 HA GLU A 71 -1.792 -8.054 3.053 1.00 73.42 H new ATOM 0 HB2 GLU A 71 -1.359 -9.857 4.759 1.00 1.30 H new ATOM 0 HB3 GLU A 71 -0.959 -10.188 3.085 1.00 1.30 H new ATOM 0 HG2 GLU A 71 1.365 -10.028 3.475 1.00 43.51 H new ATOM 0 HG3 GLU A 71 1.151 -9.167 4.985 1.00 43.51 H new ATOM 442 N THR A 72 0.073 -6.716 5.449 1.00 24.32 N ATOM 443 CA THR A 72 -0.038 -5.862 6.640 1.00 2.14 C ATOM 444 C THR A 72 -1.005 -4.702 6.339 1.00 44.03 C ATOM 445 O THR A 72 -2.053 -4.599 6.989 1.00 54.13 O ATOM 446 CB THR A 72 1.334 -5.382 7.130 1.00 63.05 C ATOM 447 OG1 THR A 72 2.198 -6.484 7.322 1.00 32.11 O ATOM 448 CG2 THR A 72 1.232 -4.634 8.465 1.00 21.31 C ATOM 0 H THR A 72 1.028 -6.860 5.120 1.00 24.32 H new ATOM 0 HA THR A 72 -0.449 -6.445 7.464 1.00 2.14 H new ATOM 0 HB THR A 72 1.723 -4.709 6.366 1.00 63.05 H new ATOM 0 HG1 THR A 72 2.442 -6.864 6.452 1.00 32.11 H new ATOM 0 HG21 THR A 72 2.225 -4.311 8.778 1.00 21.31 H new ATOM 0 HG22 THR A 72 0.588 -3.763 8.346 1.00 21.31 H new ATOM 0 HG23 THR A 72 0.811 -5.296 9.222 1.00 21.31 H new ATOM 456 N VAL A 73 -0.681 -3.864 5.340 1.00 33.44 N ATOM 457 CA VAL A 73 -1.562 -2.752 4.964 1.00 64.22 C ATOM 458 C VAL A 73 -2.942 -3.301 4.663 1.00 12.31 C ATOM 459 O VAL A 73 -3.892 -2.815 5.249 1.00 21.45 O ATOM 460 CB VAL A 73 -1.080 -2.012 3.710 1.00 63.21 C ATOM 461 CG1 VAL A 73 -2.052 -1.003 3.093 1.00 71.21 C ATOM 462 CG2 VAL A 73 0.220 -1.272 3.974 1.00 33.32 C ATOM 0 H VAL A 73 0.173 -3.935 4.787 1.00 33.44 H new ATOM 0 HA VAL A 73 -1.566 -2.052 5.799 1.00 64.22 H new ATOM 0 HB VAL A 73 -0.966 -2.823 2.991 1.00 63.21 H new ATOM 0 HG11 VAL A 73 -1.595 -0.548 2.214 1.00 71.21 H new ATOM 0 HG12 VAL A 73 -2.970 -1.513 2.801 1.00 71.21 H new ATOM 0 HG13 VAL A 73 -2.284 -0.228 3.823 1.00 71.21 H new ATOM 0 HG21 VAL A 73 0.536 -0.757 3.067 1.00 33.32 H new ATOM 0 HG22 VAL A 73 0.069 -0.543 4.771 1.00 33.32 H new ATOM 0 HG23 VAL A 73 0.989 -1.984 4.274 1.00 33.32 H new ATOM 472 N GLN A 74 -3.063 -4.311 3.801 1.00 63.14 N ATOM 473 CA GLN A 74 -4.360 -4.883 3.440 1.00 42.41 C ATOM 474 C GLN A 74 -5.218 -5.244 4.660 1.00 52.23 C ATOM 475 O GLN A 74 -6.417 -4.974 4.646 1.00 1.12 O ATOM 476 CB GLN A 74 -4.170 -6.083 2.502 1.00 11.01 C ATOM 477 CG GLN A 74 -5.486 -6.728 2.028 1.00 74.25 C ATOM 478 CD GLN A 74 -6.254 -5.963 0.950 1.00 10.02 C ATOM 479 OE1 GLN A 74 -6.509 -6.503 -0.122 1.00 10.14 O ATOM 480 NE2 GLN A 74 -6.729 -4.754 1.191 1.00 45.55 N ATOM 0 H GLN A 74 -2.270 -4.753 3.336 1.00 63.14 H new ATOM 0 HA GLN A 74 -4.917 -4.111 2.909 1.00 42.41 H new ATOM 0 HB2 GLN A 74 -3.601 -5.762 1.630 1.00 11.01 H new ATOM 0 HB3 GLN A 74 -3.572 -6.838 3.012 1.00 11.01 H new ATOM 0 HG2 GLN A 74 -5.263 -7.726 1.649 1.00 74.25 H new ATOM 0 HG3 GLN A 74 -6.139 -6.853 2.892 1.00 74.25 H new ATOM 0 HE21 GLN A 74 -6.525 -4.293 2.078 1.00 45.55 H new ATOM 0 HE22 GLN A 74 -7.300 -4.281 0.490 1.00 45.55 H new ATOM 489 N ASN A 75 -4.640 -5.846 5.701 1.00 73.13 N ATOM 490 CA ASN A 75 -5.382 -6.208 6.907 1.00 22.25 C ATOM 491 C ASN A 75 -5.865 -4.938 7.602 1.00 21.13 C ATOM 492 O ASN A 75 -6.968 -4.911 8.147 1.00 1.21 O ATOM 493 CB ASN A 75 -4.510 -6.966 7.920 1.00 34.23 C ATOM 494 CG ASN A 75 -4.318 -8.446 7.647 1.00 34.52 C ATOM 495 OD1 ASN A 75 -5.131 -9.292 8.002 1.00 0.12 O ATOM 496 ND2 ASN A 75 -3.196 -8.784 7.048 1.00 42.40 N ATOM 0 H ASN A 75 -3.651 -6.094 5.731 1.00 73.13 H new ATOM 0 HA ASN A 75 -6.208 -6.846 6.592 1.00 22.25 H new ATOM 0 HB2 ASN A 75 -3.529 -6.492 7.954 1.00 34.23 H new ATOM 0 HB3 ASN A 75 -4.953 -6.853 8.909 1.00 34.23 H new ATOM 0 HD21 ASN A 75 -2.989 -9.767 6.871 1.00 42.40 H new ATOM 0 HD22 ASN A 75 -2.534 -8.063 6.761 1.00 42.40 H new ATOM 503 N LEU A 76 -5.031 -3.893 7.644 1.00 21.43 N ATOM 504 CA LEU A 76 -5.404 -2.635 8.300 1.00 34.31 C ATOM 505 C LEU A 76 -6.243 -1.712 7.401 1.00 10.13 C ATOM 506 O LEU A 76 -6.918 -0.816 7.917 1.00 4.42 O ATOM 507 CB LEU A 76 -4.155 -1.908 8.830 1.00 53.45 C ATOM 508 CG LEU A 76 -3.193 -2.779 9.670 1.00 41.35 C ATOM 509 CD1 LEU A 76 -2.155 -1.915 10.386 1.00 32.21 C ATOM 510 CD2 LEU A 76 -3.886 -3.684 10.688 1.00 20.44 C ATOM 0 H LEU A 76 -4.097 -3.893 7.233 1.00 21.43 H new ATOM 0 HA LEU A 76 -6.042 -2.899 9.144 1.00 34.31 H new ATOM 0 HB2 LEU A 76 -3.604 -1.501 7.982 1.00 53.45 H new ATOM 0 HB3 LEU A 76 -4.477 -1.062 9.437 1.00 53.45 H new ATOM 0 HG LEU A 76 -2.708 -3.435 8.947 1.00 41.35 H new ATOM 0 HD11 LEU A 76 -1.491 -2.553 10.970 1.00 32.21 H new ATOM 0 HD12 LEU A 76 -1.572 -1.362 9.650 1.00 32.21 H new ATOM 0 HD13 LEU A 76 -2.661 -1.214 11.050 1.00 32.21 H new ATOM 0 HD21 LEU A 76 -3.137 -4.259 11.233 1.00 20.44 H new ATOM 0 HD22 LEU A 76 -4.456 -3.074 11.389 1.00 20.44 H new ATOM 0 HD23 LEU A 76 -4.560 -4.366 10.169 1.00 20.44 H new ATOM 522 N ALA A 77 -6.258 -1.962 6.091 1.00 45.14 N ATOM 523 CA ALA A 77 -6.941 -1.248 5.029 1.00 50.43 C ATOM 524 C ALA A 77 -7.617 -2.255 4.085 1.00 21.55 C ATOM 525 O ALA A 77 -7.170 -2.439 2.947 1.00 30.04 O ATOM 526 CB ALA A 77 -5.910 -0.386 4.280 1.00 73.04 C ATOM 0 H ALA A 77 -5.735 -2.754 5.717 1.00 45.14 H new ATOM 0 HA ALA A 77 -7.716 -0.599 5.437 1.00 50.43 H new ATOM 0 HB1 ALA A 77 -6.406 0.159 3.477 1.00 73.04 H new ATOM 0 HB2 ALA A 77 -5.456 0.323 4.973 1.00 73.04 H new ATOM 0 HB3 ALA A 77 -5.136 -1.028 3.859 1.00 73.04 H new ATOM 532 N PRO A 78 -8.710 -2.912 4.506 1.00 43.12 N ATOM 533 CA PRO A 78 -9.401 -3.890 3.670 1.00 32.22 C ATOM 534 C PRO A 78 -10.145 -3.238 2.497 1.00 22.33 C ATOM 535 O PRO A 78 -10.593 -3.935 1.590 1.00 12.24 O ATOM 536 CB PRO A 78 -10.361 -4.607 4.624 1.00 64.40 C ATOM 537 CG PRO A 78 -10.676 -3.539 5.670 1.00 44.21 C ATOM 538 CD PRO A 78 -9.347 -2.801 5.808 1.00 53.50 C ATOM 0 HA PRO A 78 -8.700 -4.578 3.197 1.00 32.22 H new ATOM 0 HB2 PRO A 78 -11.261 -4.945 4.110 1.00 64.40 H new ATOM 0 HB3 PRO A 78 -9.900 -5.487 5.073 1.00 64.40 H new ATOM 0 HG2 PRO A 78 -11.476 -2.875 5.342 1.00 44.21 H new ATOM 0 HG3 PRO A 78 -10.995 -3.979 6.615 1.00 44.21 H new ATOM 0 HD2 PRO A 78 -9.503 -1.758 6.082 1.00 53.50 H new ATOM 0 HD3 PRO A 78 -8.729 -3.246 6.588 1.00 53.50 H new ATOM 546 N ASN A 79 -10.302 -1.910 2.502 1.00 60.31 N ATOM 547 CA ASN A 79 -10.988 -1.135 1.470 1.00 64.12 C ATOM 548 C ASN A 79 -10.073 -0.794 0.279 1.00 41.04 C ATOM 549 O ASN A 79 -10.413 0.073 -0.525 1.00 20.14 O ATOM 550 CB ASN A 79 -11.596 0.117 2.134 1.00 61.23 C ATOM 551 CG ASN A 79 -12.485 0.965 1.226 1.00 74.31 C ATOM 552 OD1 ASN A 79 -12.459 2.194 1.295 1.00 44.30 O ATOM 553 ND2 ASN A 79 -13.331 0.363 0.408 1.00 14.40 N ATOM 0 H ASN A 79 -9.940 -1.326 3.255 1.00 60.31 H new ATOM 0 HA ASN A 79 -11.787 -1.736 1.036 1.00 64.12 H new ATOM 0 HB2 ASN A 79 -12.181 -0.197 2.999 1.00 61.23 H new ATOM 0 HB3 ASN A 79 -10.784 0.741 2.508 1.00 61.23 H new ATOM 0 HD21 ASN A 79 -13.965 0.917 -0.168 1.00 14.40 H new ATOM 0 HD22 ASN A 79 -13.350 -0.655 0.353 1.00 14.40 H new ATOM 560 N LEU A 80 -8.901 -1.429 0.164 1.00 2.44 N ATOM 561 CA LEU A 80 -7.938 -1.205 -0.918 1.00 33.13 C ATOM 562 C LEU A 80 -7.673 -2.497 -1.677 1.00 34.41 C ATOM 563 O LEU A 80 -7.898 -3.590 -1.143 1.00 4.32 O ATOM 564 CB LEU A 80 -6.610 -0.689 -0.341 1.00 14.10 C ATOM 565 CG LEU A 80 -6.640 0.760 0.171 1.00 14.42 C ATOM 566 CD1 LEU A 80 -5.238 1.081 0.699 1.00 42.33 C ATOM 567 CD2 LEU A 80 -7.044 1.755 -0.930 1.00 55.50 C ATOM 0 H LEU A 80 -8.589 -2.129 0.837 1.00 2.44 H new ATOM 0 HA LEU A 80 -8.360 -0.467 -1.599 1.00 33.13 H new ATOM 0 HB2 LEU A 80 -6.310 -1.341 0.479 1.00 14.10 H new ATOM 0 HB3 LEU A 80 -5.842 -0.770 -1.110 1.00 14.10 H new ATOM 0 HG LEU A 80 -7.389 0.856 0.957 1.00 14.42 H new ATOM 0 HD11 LEU A 80 -5.216 2.104 1.073 1.00 42.33 H new ATOM 0 HD12 LEU A 80 -4.987 0.394 1.507 1.00 42.33 H new ATOM 0 HD13 LEU A 80 -4.512 0.974 -0.107 1.00 42.33 H new ATOM 0 HD21 LEU A 80 -7.052 2.766 -0.522 1.00 55.50 H new ATOM 0 HD22 LEU A 80 -6.328 1.700 -1.750 1.00 55.50 H new ATOM 0 HD23 LEU A 80 -8.039 1.505 -1.299 1.00 55.50 H new ATOM 579 N HIS A 81 -7.185 -2.385 -2.915 1.00 60.22 N ATOM 580 CA HIS A 81 -6.860 -3.524 -3.758 1.00 1.41 C ATOM 581 C HIS A 81 -5.470 -4.026 -3.348 1.00 62.22 C ATOM 582 O HIS A 81 -4.594 -3.194 -3.091 1.00 61.41 O ATOM 583 CB HIS A 81 -6.828 -3.074 -5.219 1.00 22.24 C ATOM 584 CG HIS A 81 -6.848 -4.208 -6.190 1.00 53.23 C ATOM 585 ND1 HIS A 81 -5.717 -4.785 -6.750 1.00 34.24 N ATOM 586 CD2 HIS A 81 -7.958 -4.832 -6.669 1.00 22.14 C ATOM 587 CE1 HIS A 81 -6.170 -5.737 -7.580 1.00 75.22 C ATOM 588 NE2 HIS A 81 -7.511 -5.791 -7.544 1.00 23.11 N ATOM 0 H HIS A 81 -7.004 -1.485 -3.360 1.00 60.22 H new ATOM 0 HA HIS A 81 -7.601 -4.315 -3.644 1.00 1.41 H new ATOM 0 HB2 HIS A 81 -7.684 -2.426 -5.411 1.00 22.24 H new ATOM 0 HB3 HIS A 81 -5.932 -2.477 -5.388 1.00 22.24 H new ATOM 0 HD2 HIS A 81 -8.985 -4.616 -6.412 1.00 22.14 H new ATOM 0 HE1 HIS A 81 -5.544 -6.371 -8.191 1.00 75.22 H new ATOM 0 HE2 HIS A 81 -8.097 -6.434 -8.076 1.00 23.11 H new ATOM 596 N PRO A 82 -5.212 -5.342 -3.324 1.00 50.33 N ATOM 597 CA PRO A 82 -3.916 -5.882 -2.935 1.00 10.15 C ATOM 598 C PRO A 82 -2.792 -5.468 -3.885 1.00 73.43 C ATOM 599 O PRO A 82 -1.637 -5.357 -3.475 1.00 60.42 O ATOM 600 CB PRO A 82 -4.107 -7.398 -2.851 1.00 75.34 C ATOM 601 CG PRO A 82 -5.307 -7.675 -3.757 1.00 33.31 C ATOM 602 CD PRO A 82 -6.147 -6.407 -3.625 1.00 63.14 C ATOM 0 HA PRO A 82 -3.594 -5.480 -1.974 1.00 10.15 H new ATOM 0 HB2 PRO A 82 -3.219 -7.931 -3.192 1.00 75.34 H new ATOM 0 HB3 PRO A 82 -4.298 -7.719 -1.827 1.00 75.34 H new ATOM 0 HG2 PRO A 82 -5.001 -7.849 -4.788 1.00 33.31 H new ATOM 0 HG3 PRO A 82 -5.859 -8.558 -3.435 1.00 33.31 H new ATOM 0 HD2 PRO A 82 -6.691 -6.201 -4.547 1.00 63.14 H new ATOM 0 HD3 PRO A 82 -6.889 -6.511 -2.834 1.00 63.14 H new ATOM 610 N GLU A 83 -3.120 -5.180 -5.145 1.00 20.32 N ATOM 611 CA GLU A 83 -2.135 -4.795 -6.136 1.00 51.23 C ATOM 612 C GLU A 83 -1.673 -3.347 -5.951 1.00 22.53 C ATOM 613 O GLU A 83 -0.486 -3.053 -6.101 1.00 34.32 O ATOM 614 CB GLU A 83 -2.769 -5.022 -7.517 1.00 54.13 C ATOM 615 CG GLU A 83 -1.826 -5.426 -8.646 1.00 4.11 C ATOM 616 CD GLU A 83 -1.616 -6.937 -8.697 1.00 33.44 C ATOM 617 OE1 GLU A 83 -0.940 -7.489 -7.794 1.00 22.13 O ATOM 618 OE2 GLU A 83 -2.094 -7.601 -9.645 1.00 23.35 O ATOM 0 H GLU A 83 -4.076 -5.209 -5.499 1.00 20.32 H new ATOM 0 HA GLU A 83 -1.235 -5.401 -6.029 1.00 51.23 H new ATOM 0 HB2 GLU A 83 -3.532 -5.794 -7.418 1.00 54.13 H new ATOM 0 HB3 GLU A 83 -3.280 -4.105 -7.812 1.00 54.13 H new ATOM 0 HG2 GLU A 83 -2.231 -5.083 -9.598 1.00 4.11 H new ATOM 0 HG3 GLU A 83 -0.865 -4.930 -8.512 1.00 4.11 H new ATOM 625 N GLN A 84 -2.596 -2.436 -5.614 1.00 11.32 N ATOM 626 CA GLN A 84 -2.263 -1.027 -5.399 1.00 10.40 C ATOM 627 C GLN A 84 -1.256 -0.902 -4.267 1.00 41.14 C ATOM 628 O GLN A 84 -0.275 -0.169 -4.372 1.00 14.50 O ATOM 629 CB GLN A 84 -3.493 -0.219 -4.965 1.00 12.33 C ATOM 630 CG GLN A 84 -4.564 -0.066 -6.037 1.00 43.11 C ATOM 631 CD GLN A 84 -5.790 0.607 -5.432 1.00 1.45 C ATOM 632 OE1 GLN A 84 -6.678 -0.025 -4.859 1.00 35.21 O ATOM 633 NE2 GLN A 84 -5.833 1.921 -5.491 1.00 60.33 N ATOM 0 H GLN A 84 -3.584 -2.655 -5.485 1.00 11.32 H new ATOM 0 HA GLN A 84 -1.870 -0.648 -6.342 1.00 10.40 H new ATOM 0 HB2 GLN A 84 -3.937 -0.699 -4.093 1.00 12.33 H new ATOM 0 HB3 GLN A 84 -3.167 0.773 -4.652 1.00 12.33 H new ATOM 0 HG2 GLN A 84 -4.182 0.528 -6.867 1.00 43.11 H new ATOM 0 HG3 GLN A 84 -4.833 -1.042 -6.441 1.00 43.11 H new ATOM 0 HE21 GLN A 84 -5.092 2.435 -5.968 1.00 60.33 H new ATOM 0 HE22 GLN A 84 -6.607 2.426 -5.060 1.00 60.33 H new ATOM 642 N ILE A 85 -1.527 -1.627 -3.184 1.00 21.11 N ATOM 643 CA ILE A 85 -0.752 -1.666 -1.966 1.00 1.00 C ATOM 644 C ILE A 85 0.726 -1.842 -2.266 1.00 30.50 C ATOM 645 O ILE A 85 1.522 -1.007 -1.850 1.00 3.32 O ATOM 646 CB ILE A 85 -1.357 -2.727 -1.044 1.00 50.00 C ATOM 647 CG1 ILE A 85 -2.751 -2.306 -0.542 1.00 2.11 C ATOM 648 CG2 ILE A 85 -0.458 -2.920 0.161 1.00 31.03 C ATOM 649 CD1 ILE A 85 -3.472 -3.463 0.141 1.00 12.21 C ATOM 0 H ILE A 85 -2.344 -2.236 -3.140 1.00 21.11 H new ATOM 0 HA ILE A 85 -0.802 -0.716 -1.434 1.00 1.00 H new ATOM 0 HB ILE A 85 -1.449 -3.651 -1.615 1.00 50.00 H new ATOM 0 HG12 ILE A 85 -2.652 -1.475 0.156 1.00 2.11 H new ATOM 0 HG13 ILE A 85 -3.348 -1.948 -1.381 1.00 2.11 H new ATOM 0 HG21 ILE A 85 -0.888 -3.676 0.818 1.00 31.03 H new ATOM 0 HG22 ILE A 85 0.528 -3.245 -0.169 1.00 31.03 H new ATOM 0 HG23 ILE A 85 -0.367 -1.978 0.702 1.00 31.03 H new ATOM 0 HD11 ILE A 85 -4.452 -3.130 0.483 1.00 12.21 H new ATOM 0 HD12 ILE A 85 -3.594 -4.284 -0.566 1.00 12.21 H new ATOM 0 HD13 ILE A 85 -2.886 -3.803 0.995 1.00 12.21 H new ATOM 661 N ARG A 86 1.115 -2.884 -3.003 1.00 14.22 N ATOM 662 CA ARG A 86 2.521 -3.087 -3.343 1.00 41.35 C ATOM 663 C ARG A 86 3.155 -1.800 -3.917 1.00 2.32 C ATOM 664 O ARG A 86 4.255 -1.425 -3.514 1.00 24.01 O ATOM 665 CB ARG A 86 2.634 -4.335 -4.243 1.00 55.13 C ATOM 666 CG ARG A 86 3.945 -4.423 -5.040 1.00 35.03 C ATOM 667 CD ARG A 86 3.762 -3.756 -6.417 1.00 12.41 C ATOM 668 NE ARG A 86 5.025 -3.205 -6.911 1.00 73.51 N ATOM 669 CZ ARG A 86 5.844 -3.808 -7.795 1.00 70.23 C ATOM 670 NH1 ARG A 86 5.512 -4.948 -8.399 1.00 0.43 N ATOM 671 NH2 ARG A 86 7.018 -3.261 -8.083 1.00 13.02 N ATOM 0 H ARG A 86 0.482 -3.593 -3.372 1.00 14.22 H new ATOM 0 HA ARG A 86 3.113 -3.288 -2.450 1.00 41.35 H new ATOM 0 HB2 ARG A 86 2.539 -5.226 -3.622 1.00 55.13 H new ATOM 0 HB3 ARG A 86 1.797 -4.342 -4.941 1.00 55.13 H new ATOM 0 HG2 ARG A 86 4.749 -3.932 -4.491 1.00 35.03 H new ATOM 0 HG3 ARG A 86 4.236 -5.466 -5.166 1.00 35.03 H new ATOM 0 HD2 ARG A 86 3.378 -4.486 -7.129 1.00 12.41 H new ATOM 0 HD3 ARG A 86 3.020 -2.961 -6.343 1.00 12.41 H new ATOM 0 HE ARG A 86 5.308 -2.291 -6.558 1.00 73.51 H new ATOM 0 HH11 ARG A 86 4.615 -5.390 -8.197 1.00 0.43 H new ATOM 0 HH12 ARG A 86 6.155 -5.379 -9.063 1.00 0.43 H new ATOM 0 HH21 ARG A 86 7.297 -2.388 -7.636 1.00 13.02 H new ATOM 0 HH22 ARG A 86 7.641 -3.714 -8.751 1.00 13.02 H new ATOM 685 N TYR A 87 2.492 -1.102 -4.845 1.00 2.23 N ATOM 686 CA TYR A 87 3.022 0.131 -5.433 1.00 53.04 C ATOM 687 C TYR A 87 3.160 1.226 -4.375 1.00 1.22 C ATOM 688 O TYR A 87 4.135 1.984 -4.358 1.00 22.14 O ATOM 689 CB TYR A 87 2.101 0.588 -6.577 1.00 42.10 C ATOM 690 CG TYR A 87 2.633 1.719 -7.440 1.00 34.44 C ATOM 691 CD1 TYR A 87 3.925 1.627 -7.992 1.00 43.22 C ATOM 692 CD2 TYR A 87 1.818 2.828 -7.755 1.00 32.25 C ATOM 693 CE1 TYR A 87 4.397 2.627 -8.857 1.00 72.50 C ATOM 694 CE2 TYR A 87 2.292 3.827 -8.621 1.00 21.33 C ATOM 695 CZ TYR A 87 3.579 3.731 -9.181 1.00 14.00 C ATOM 696 OH TYR A 87 4.013 4.699 -10.031 1.00 53.42 O ATOM 0 H TYR A 87 1.578 -1.374 -5.207 1.00 2.23 H new ATOM 0 HA TYR A 87 4.017 -0.065 -5.833 1.00 53.04 H new ATOM 0 HB2 TYR A 87 1.897 -0.269 -7.219 1.00 42.10 H new ATOM 0 HB3 TYR A 87 1.148 0.900 -6.149 1.00 42.10 H new ATOM 0 HD1 TYR A 87 4.555 0.784 -7.749 1.00 43.22 H new ATOM 0 HD2 TYR A 87 0.829 2.908 -7.329 1.00 32.25 H new ATOM 0 HE1 TYR A 87 5.390 2.551 -9.276 1.00 72.50 H new ATOM 0 HE2 TYR A 87 1.665 4.674 -8.858 1.00 21.33 H new ATOM 0 HH TYR A 87 3.315 5.379 -10.136 1.00 53.42 H new ATOM 706 N SER A 88 2.164 1.288 -3.499 1.00 52.35 N ATOM 707 CA SER A 88 2.070 2.244 -2.409 1.00 74.30 C ATOM 708 C SER A 88 3.305 2.092 -1.534 1.00 40.33 C ATOM 709 O SER A 88 4.054 3.046 -1.370 1.00 41.05 O ATOM 710 CB SER A 88 0.787 2.026 -1.602 1.00 42.10 C ATOM 711 OG SER A 88 -0.356 1.884 -2.420 1.00 22.52 O ATOM 0 H SER A 88 1.371 0.648 -3.532 1.00 52.35 H new ATOM 0 HA SER A 88 2.026 3.258 -2.806 1.00 74.30 H new ATOM 0 HB2 SER A 88 0.899 1.135 -0.984 1.00 42.10 H new ATOM 0 HB3 SER A 88 0.641 2.868 -0.925 1.00 42.10 H new ATOM 0 HG SER A 88 -0.284 1.057 -2.942 1.00 22.52 H new ATOM 717 N LEU A 89 3.554 0.879 -1.040 1.00 21.01 N ATOM 718 CA LEU A 89 4.691 0.546 -0.193 1.00 31.43 C ATOM 719 C LEU A 89 5.996 0.886 -0.871 1.00 64.40 C ATOM 720 O LEU A 89 6.929 1.311 -0.209 1.00 23.25 O ATOM 721 CB LEU A 89 4.768 -0.952 0.025 1.00 4.04 C ATOM 722 CG LEU A 89 3.643 -1.575 0.828 1.00 73.32 C ATOM 723 CD1 LEU A 89 3.964 -3.073 0.693 1.00 53.12 C ATOM 724 CD2 LEU A 89 3.622 -0.998 2.249 1.00 60.43 C ATOM 0 H LEU A 89 2.949 0.079 -1.226 1.00 21.01 H new ATOM 0 HA LEU A 89 4.550 1.104 0.733 1.00 31.43 H new ATOM 0 HB2 LEU A 89 4.801 -1.438 -0.950 1.00 4.04 H new ATOM 0 HB3 LEU A 89 5.710 -1.176 0.525 1.00 4.04 H new ATOM 0 HG LEU A 89 2.626 -1.372 0.493 1.00 73.32 H new ATOM 0 HD11 LEU A 89 3.218 -3.655 1.235 1.00 53.12 H new ATOM 0 HD12 LEU A 89 3.950 -3.355 -0.360 1.00 53.12 H new ATOM 0 HD13 LEU A 89 4.952 -3.272 1.108 1.00 53.12 H new ATOM 0 HD21 LEU A 89 2.809 -1.454 2.815 1.00 60.43 H new ATOM 0 HD22 LEU A 89 4.571 -1.210 2.742 1.00 60.43 H new ATOM 0 HD23 LEU A 89 3.471 0.080 2.202 1.00 60.43 H new ATOM 736 N GLU A 90 6.114 0.637 -2.175 1.00 3.22 N ATOM 737 CA GLU A 90 7.354 0.960 -2.856 1.00 70.14 C ATOM 738 C GLU A 90 7.589 2.467 -2.862 1.00 45.22 C ATOM 739 O GLU A 90 8.726 2.925 -2.794 1.00 14.25 O ATOM 740 CB GLU A 90 7.327 0.406 -4.274 1.00 14.41 C ATOM 741 CG GLU A 90 7.586 -1.108 -4.221 1.00 43.34 C ATOM 742 CD GLU A 90 8.018 -1.707 -5.546 1.00 55.33 C ATOM 743 OE1 GLU A 90 7.812 -1.076 -6.611 1.00 14.12 O ATOM 744 OE2 GLU A 90 8.516 -2.857 -5.563 1.00 60.22 O ATOM 0 H GLU A 90 5.387 0.225 -2.761 1.00 3.22 H new ATOM 0 HA GLU A 90 8.182 0.497 -2.319 1.00 70.14 H new ATOM 0 HB2 GLU A 90 6.362 0.607 -4.739 1.00 14.41 H new ATOM 0 HB3 GLU A 90 8.084 0.897 -4.885 1.00 14.41 H new ATOM 0 HG2 GLU A 90 8.355 -1.309 -3.475 1.00 43.34 H new ATOM 0 HG3 GLU A 90 6.678 -1.610 -3.886 1.00 43.34 H new ATOM 751 N ASN A 91 6.520 3.247 -2.945 1.00 11.11 N ATOM 752 CA ASN A 91 6.596 4.699 -2.950 1.00 62.40 C ATOM 753 C ASN A 91 6.845 5.264 -1.550 1.00 61.41 C ATOM 754 O ASN A 91 7.739 6.103 -1.406 1.00 25.23 O ATOM 755 CB ASN A 91 5.346 5.295 -3.606 1.00 52.52 C ATOM 756 CG ASN A 91 5.541 5.303 -5.111 1.00 73.21 C ATOM 757 OD1 ASN A 91 6.063 6.262 -5.679 1.00 11.20 O ATOM 758 ND2 ASN A 91 5.218 4.209 -5.783 1.00 1.12 N ATOM 0 H ASN A 91 5.568 2.886 -3.011 1.00 11.11 H new ATOM 0 HA ASN A 91 7.458 4.993 -3.549 1.00 62.40 H new ATOM 0 HB2 ASN A 91 4.466 4.709 -3.343 1.00 52.52 H new ATOM 0 HB3 ASN A 91 5.175 6.308 -3.242 1.00 52.52 H new ATOM 0 HD21 ASN A 91 5.401 4.153 -6.785 1.00 1.12 H new ATOM 0 HD22 ASN A 91 4.786 3.422 -5.299 1.00 1.12 H new ATOM 765 N THR A 92 6.093 4.834 -0.535 1.00 3.54 N ATOM 766 CA THR A 92 6.197 5.282 0.848 1.00 43.11 C ATOM 767 C THR A 92 7.448 4.713 1.531 1.00 65.35 C ATOM 768 O THR A 92 8.165 5.429 2.226 1.00 21.42 O ATOM 769 CB THR A 92 4.936 4.786 1.588 1.00 61.50 C ATOM 770 OG1 THR A 92 4.847 3.380 1.514 1.00 73.34 O ATOM 771 CG2 THR A 92 3.625 5.316 1.006 1.00 75.22 C ATOM 0 H THR A 92 5.364 4.133 -0.664 1.00 3.54 H new ATOM 0 HA THR A 92 6.276 6.369 0.875 1.00 43.11 H new ATOM 0 HB THR A 92 5.052 5.153 2.608 1.00 61.50 H new ATOM 0 HG1 THR A 92 4.605 3.021 2.393 1.00 73.34 H new ATOM 0 HG21 THR A 92 2.786 4.922 1.580 1.00 75.22 H new ATOM 0 HG22 THR A 92 3.619 6.405 1.055 1.00 75.22 H new ATOM 0 HG23 THR A 92 3.534 4.999 -0.033 1.00 75.22 H new ATOM 779 N GLY A 93 7.748 3.442 1.273 1.00 62.23 N ATOM 780 CA GLY A 93 8.855 2.667 1.817 1.00 61.52 C ATOM 781 C GLY A 93 8.515 2.070 3.178 1.00 63.02 C ATOM 782 O GLY A 93 9.330 1.313 3.716 1.00 24.04 O ATOM 0 H GLY A 93 7.181 2.889 0.631 1.00 62.23 H new ATOM 0 HA2 GLY A 93 9.113 1.867 1.124 1.00 61.52 H new ATOM 0 HA3 GLY A 93 9.734 3.305 1.909 1.00 61.52 H new ATOM 786 N SER A 94 7.338 2.378 3.733 1.00 35.13 N ATOM 787 CA SER A 94 6.884 1.906 5.030 1.00 61.43 C ATOM 788 C SER A 94 5.373 1.657 5.017 1.00 22.14 C ATOM 789 O SER A 94 4.589 2.394 4.409 1.00 10.04 O ATOM 790 CB SER A 94 7.258 2.950 6.092 1.00 22.52 C ATOM 791 OG SER A 94 8.559 3.474 5.892 1.00 25.35 O ATOM 0 H SER A 94 6.659 2.983 3.271 1.00 35.13 H new ATOM 0 HA SER A 94 7.368 0.958 5.266 1.00 61.43 H new ATOM 0 HB2 SER A 94 6.533 3.764 6.070 1.00 22.52 H new ATOM 0 HB3 SER A 94 7.199 2.497 7.081 1.00 22.52 H new ATOM 0 HG SER A 94 8.756 4.135 6.588 1.00 25.35 H new ATOM 797 N VAL A 95 4.958 0.585 5.680 1.00 34.23 N ATOM 798 CA VAL A 95 3.565 0.178 5.820 1.00 4.42 C ATOM 799 C VAL A 95 2.825 1.253 6.614 1.00 42.05 C ATOM 800 O VAL A 95 1.759 1.686 6.191 1.00 14.32 O ATOM 801 CB VAL A 95 3.503 -1.196 6.512 1.00 11.30 C ATOM 802 CG1 VAL A 95 2.094 -1.546 6.997 1.00 1.34 C ATOM 803 CG2 VAL A 95 4.045 -2.279 5.576 1.00 51.21 C ATOM 0 H VAL A 95 5.605 -0.047 6.152 1.00 34.23 H new ATOM 0 HA VAL A 95 3.085 0.077 4.847 1.00 4.42 H new ATOM 0 HB VAL A 95 4.132 -1.144 7.401 1.00 11.30 H new ATOM 0 HG11 VAL A 95 2.107 -2.524 7.477 1.00 1.34 H new ATOM 0 HG12 VAL A 95 1.758 -0.795 7.712 1.00 1.34 H new ATOM 0 HG13 VAL A 95 1.412 -1.568 6.147 1.00 1.34 H new ATOM 0 HG21 VAL A 95 3.997 -3.247 6.074 1.00 51.21 H new ATOM 0 HG22 VAL A 95 3.444 -2.308 4.667 1.00 51.21 H new ATOM 0 HG23 VAL A 95 5.080 -2.054 5.320 1.00 51.21 H new ATOM 813 N GLU A 96 3.420 1.713 7.712 1.00 32.11 N ATOM 814 CA GLU A 96 2.902 2.732 8.610 1.00 25.21 C ATOM 815 C GLU A 96 2.400 3.951 7.838 1.00 2.55 C ATOM 816 O GLU A 96 1.273 4.382 8.057 1.00 54.45 O ATOM 817 CB GLU A 96 3.995 3.084 9.639 1.00 62.32 C ATOM 818 CG GLU A 96 5.223 3.800 9.047 1.00 51.23 C ATOM 819 CD GLU A 96 6.493 3.620 9.872 1.00 14.32 C ATOM 820 OE1 GLU A 96 6.868 2.452 10.142 1.00 41.12 O ATOM 821 OE2 GLU A 96 7.189 4.614 10.160 1.00 4.20 O ATOM 0 H GLU A 96 4.329 1.362 8.013 1.00 32.11 H new ATOM 0 HA GLU A 96 2.034 2.349 9.147 1.00 25.21 H new ATOM 0 HB2 GLU A 96 3.559 3.717 10.411 1.00 62.32 H new ATOM 0 HB3 GLU A 96 4.325 2.167 10.127 1.00 62.32 H new ATOM 0 HG2 GLU A 96 5.399 3.426 8.038 1.00 51.23 H new ATOM 0 HG3 GLU A 96 5.005 4.864 8.959 1.00 51.23 H new ATOM 828 N GLU A 97 3.208 4.463 6.904 1.00 60.03 N ATOM 829 CA GLU A 97 2.854 5.633 6.110 1.00 42.22 C ATOM 830 C GLU A 97 1.650 5.286 5.244 1.00 54.40 C ATOM 831 O GLU A 97 0.676 6.027 5.196 1.00 43.14 O ATOM 832 CB GLU A 97 4.069 6.085 5.272 1.00 14.43 C ATOM 833 CG GLU A 97 3.798 7.199 4.245 1.00 54.21 C ATOM 834 CD GLU A 97 3.385 8.558 4.822 1.00 3.52 C ATOM 835 OE1 GLU A 97 4.290 9.337 5.204 1.00 71.32 O ATOM 836 OE2 GLU A 97 2.186 8.916 4.777 1.00 34.02 O ATOM 0 H GLU A 97 4.124 4.075 6.681 1.00 60.03 H new ATOM 0 HA GLU A 97 2.582 6.470 6.753 1.00 42.22 H new ATOM 0 HB2 GLU A 97 4.849 6.426 5.953 1.00 14.43 H new ATOM 0 HB3 GLU A 97 4.464 5.218 4.743 1.00 14.43 H new ATOM 0 HG2 GLU A 97 4.697 7.339 3.645 1.00 54.21 H new ATOM 0 HG3 GLU A 97 3.013 6.860 3.569 1.00 54.21 H new ATOM 843 N THR A 98 1.709 4.139 4.573 1.00 73.21 N ATOM 844 CA THR A 98 0.675 3.621 3.692 1.00 54.23 C ATOM 845 C THR A 98 -0.691 3.524 4.398 1.00 41.24 C ATOM 846 O THR A 98 -1.728 3.880 3.831 1.00 71.13 O ATOM 847 CB THR A 98 1.165 2.287 3.107 1.00 12.03 C ATOM 848 OG1 THR A 98 2.502 2.411 2.643 1.00 23.15 O ATOM 849 CG2 THR A 98 0.295 1.881 1.926 1.00 54.32 C ATOM 0 H THR A 98 2.517 3.520 4.634 1.00 73.21 H new ATOM 0 HA THR A 98 0.502 4.314 2.868 1.00 54.23 H new ATOM 0 HB THR A 98 1.110 1.536 3.895 1.00 12.03 H new ATOM 0 HG1 THR A 98 3.122 2.228 3.380 1.00 23.15 H new ATOM 0 HG21 THR A 98 0.652 0.935 1.520 1.00 54.32 H new ATOM 0 HG22 THR A 98 -0.737 1.768 2.257 1.00 54.32 H new ATOM 0 HG23 THR A 98 0.347 2.649 1.155 1.00 54.32 H new ATOM 857 N VAL A 99 -0.703 3.072 5.644 1.00 34.15 N ATOM 858 CA VAL A 99 -1.922 2.931 6.439 1.00 14.20 C ATOM 859 C VAL A 99 -2.386 4.300 6.952 1.00 20.41 C ATOM 860 O VAL A 99 -3.590 4.544 7.030 1.00 24.40 O ATOM 861 CB VAL A 99 -1.685 1.934 7.596 1.00 42.25 C ATOM 862 CG1 VAL A 99 -2.897 1.776 8.523 1.00 1.44 C ATOM 863 CG2 VAL A 99 -1.358 0.539 7.045 1.00 53.04 C ATOM 0 H VAL A 99 0.142 2.789 6.140 1.00 34.15 H new ATOM 0 HA VAL A 99 -2.718 2.531 5.812 1.00 14.20 H new ATOM 0 HB VAL A 99 -0.855 2.350 8.168 1.00 42.25 H new ATOM 0 HG11 VAL A 99 -2.661 1.062 9.312 1.00 1.44 H new ATOM 0 HG12 VAL A 99 -3.143 2.740 8.968 1.00 1.44 H new ATOM 0 HG13 VAL A 99 -3.749 1.413 7.949 1.00 1.44 H new ATOM 0 HG21 VAL A 99 -1.194 -0.150 7.873 1.00 53.04 H new ATOM 0 HG22 VAL A 99 -2.190 0.184 6.437 1.00 53.04 H new ATOM 0 HG23 VAL A 99 -0.458 0.591 6.433 1.00 53.04 H new ATOM 873 N GLU A 100 -1.457 5.201 7.270 1.00 32.13 N ATOM 874 CA GLU A 100 -1.755 6.528 7.800 1.00 62.14 C ATOM 875 C GLU A 100 -2.314 7.437 6.721 1.00 53.34 C ATOM 876 O GLU A 100 -3.161 8.290 6.990 1.00 71.14 O ATOM 877 CB GLU A 100 -0.510 7.098 8.479 1.00 33.21 C ATOM 878 CG GLU A 100 -0.382 6.457 9.871 1.00 15.54 C ATOM 879 CD GLU A 100 0.936 6.759 10.573 1.00 21.51 C ATOM 880 OE1 GLU A 100 1.810 7.458 10.020 1.00 12.44 O ATOM 881 OE2 GLU A 100 1.106 6.291 11.728 1.00 11.22 O ATOM 0 H GLU A 100 -0.458 5.024 7.164 1.00 32.13 H new ATOM 0 HA GLU A 100 -2.536 6.453 8.556 1.00 62.14 H new ATOM 0 HB2 GLU A 100 0.377 6.889 7.882 1.00 33.21 H new ATOM 0 HB3 GLU A 100 -0.588 8.182 8.566 1.00 33.21 H new ATOM 0 HG2 GLU A 100 -1.204 6.805 10.497 1.00 15.54 H new ATOM 0 HG3 GLU A 100 -0.491 5.377 9.774 1.00 15.54 H new ATOM 888 N ARG A 101 -1.884 7.249 5.479 1.00 62.31 N ATOM 889 CA ARG A 101 -2.387 8.028 4.365 1.00 73.21 C ATOM 890 C ARG A 101 -3.700 7.419 3.908 1.00 51.31 C ATOM 891 O ARG A 101 -4.613 8.153 3.543 1.00 41.32 O ATOM 892 CB ARG A 101 -1.335 8.127 3.279 1.00 53.41 C ATOM 893 CG ARG A 101 -0.978 6.778 2.665 1.00 31.10 C ATOM 894 CD ARG A 101 0.364 6.759 1.958 1.00 2.04 C ATOM 895 NE ARG A 101 0.540 7.987 1.196 1.00 3.24 N ATOM 896 CZ ARG A 101 -0.093 8.401 0.096 1.00 62.32 C ATOM 897 NH1 ARG A 101 -0.797 7.564 -0.666 1.00 54.20 N ATOM 898 NH2 ARG A 101 -0.044 9.695 -0.173 1.00 31.33 N ATOM 0 H ARG A 101 -1.181 6.556 5.222 1.00 62.31 H new ATOM 0 HA ARG A 101 -2.595 9.057 4.659 1.00 73.21 H new ATOM 0 HB2 ARG A 101 -1.694 8.793 2.494 1.00 53.41 H new ATOM 0 HB3 ARG A 101 -0.435 8.580 3.694 1.00 53.41 H new ATOM 0 HG2 ARG A 101 -0.974 6.022 3.450 1.00 31.10 H new ATOM 0 HG3 ARG A 101 -1.755 6.496 1.955 1.00 31.10 H new ATOM 0 HD2 ARG A 101 1.168 6.655 2.687 1.00 2.04 H new ATOM 0 HD3 ARG A 101 0.423 5.897 1.294 1.00 2.04 H new ATOM 0 HE ARG A 101 1.251 8.624 1.555 1.00 3.24 H new ATOM 0 HH11 ARG A 101 -0.863 6.578 -0.414 1.00 54.20 H new ATOM 0 HH12 ARG A 101 -1.270 7.910 -1.501 1.00 54.20 H new ATOM 0 HH21 ARG A 101 0.462 10.326 0.449 1.00 31.33 H new ATOM 0 HH22 ARG A 101 -0.512 10.062 -1.002 1.00 31.33 H new ATOM 912 N TYR A 102 -3.816 6.092 3.982 1.00 24.31 N ATOM 913 CA TYR A 102 -5.038 5.371 3.633 1.00 51.43 C ATOM 914 C TYR A 102 -6.180 5.933 4.469 1.00 23.42 C ATOM 915 O TYR A 102 -7.163 6.411 3.912 1.00 3.03 O ATOM 916 CB TYR A 102 -4.853 3.876 3.864 1.00 34.32 C ATOM 917 CG TYR A 102 -6.130 3.135 4.179 1.00 61.42 C ATOM 918 CD1 TYR A 102 -7.085 2.921 3.174 1.00 55.40 C ATOM 919 CD2 TYR A 102 -6.395 2.741 5.503 1.00 5.21 C ATOM 920 CE1 TYR A 102 -8.292 2.270 3.474 1.00 53.44 C ATOM 921 CE2 TYR A 102 -7.602 2.101 5.815 1.00 4.10 C ATOM 922 CZ TYR A 102 -8.551 1.847 4.796 1.00 11.42 C ATOM 923 OH TYR A 102 -9.701 1.184 5.090 1.00 62.12 O ATOM 0 H TYR A 102 -3.057 5.484 4.289 1.00 24.31 H new ATOM 0 HA TYR A 102 -5.272 5.504 2.577 1.00 51.43 H new ATOM 0 HB2 TYR A 102 -4.401 3.436 2.975 1.00 34.32 H new ATOM 0 HB3 TYR A 102 -4.150 3.731 4.684 1.00 34.32 H new ATOM 0 HD1 TYR A 102 -6.891 3.258 2.166 1.00 55.40 H new ATOM 0 HD2 TYR A 102 -5.668 2.932 6.279 1.00 5.21 H new ATOM 0 HE1 TYR A 102 -9.020 2.093 2.696 1.00 53.44 H new ATOM 0 HE2 TYR A 102 -7.808 1.802 6.832 1.00 4.10 H new ATOM 0 HH TYR A 102 -9.718 0.966 6.045 1.00 62.12 H new ATOM 933 N LEU A 103 -6.034 5.946 5.800 1.00 22.40 N ATOM 934 CA LEU A 103 -7.070 6.489 6.672 1.00 51.20 C ATOM 935 C LEU A 103 -7.314 7.977 6.385 1.00 23.53 C ATOM 936 O LEU A 103 -8.404 8.474 6.665 1.00 42.12 O ATOM 937 CB LEU A 103 -6.783 6.184 8.150 1.00 72.22 C ATOM 938 CG LEU A 103 -5.450 6.704 8.718 1.00 64.45 C ATOM 939 CD1 LEU A 103 -5.489 8.167 9.179 1.00 1.24 C ATOM 940 CD2 LEU A 103 -5.033 5.831 9.904 1.00 12.03 C ATOM 0 H LEU A 103 -5.213 5.588 6.289 1.00 22.40 H new ATOM 0 HA LEU A 103 -8.008 5.982 6.446 1.00 51.20 H new ATOM 0 HB2 LEU A 103 -7.593 6.602 8.747 1.00 72.22 H new ATOM 0 HB3 LEU A 103 -6.812 5.103 8.286 1.00 72.22 H new ATOM 0 HG LEU A 103 -4.733 6.651 7.899 1.00 64.45 H new ATOM 0 HD11 LEU A 103 -4.511 8.453 9.565 1.00 1.24 H new ATOM 0 HD12 LEU A 103 -5.748 8.807 8.336 1.00 1.24 H new ATOM 0 HD13 LEU A 103 -6.236 8.281 9.964 1.00 1.24 H new ATOM 0 HD21 LEU A 103 -4.089 6.195 10.310 1.00 12.03 H new ATOM 0 HD22 LEU A 103 -5.801 5.875 10.676 1.00 12.03 H new ATOM 0 HD23 LEU A 103 -4.911 4.800 9.572 1.00 12.03 H new ATOM 952 N ARG A 104 -6.333 8.705 5.836 1.00 12.41 N ATOM 953 CA ARG A 104 -6.501 10.123 5.496 1.00 3.12 C ATOM 954 C ARG A 104 -7.367 10.234 4.233 1.00 52.42 C ATOM 955 O ARG A 104 -7.894 11.315 3.967 1.00 33.40 O ATOM 956 CB ARG A 104 -5.125 10.839 5.350 1.00 60.02 C ATOM 957 CG ARG A 104 -4.758 11.338 3.931 1.00 21.13 C ATOM 958 CD ARG A 104 -3.276 11.647 3.676 1.00 55.11 C ATOM 959 NE ARG A 104 -2.833 12.848 4.364 1.00 30.11 N ATOM 960 CZ ARG A 104 -1.562 13.248 4.529 1.00 50.21 C ATOM 961 NH1 ARG A 104 -0.555 12.629 3.913 1.00 70.12 N ATOM 962 NH2 ARG A 104 -1.312 14.280 5.323 1.00 21.11 N ATOM 0 H ARG A 104 -5.409 8.332 5.617 1.00 12.41 H new ATOM 0 HA ARG A 104 -7.015 10.638 6.308 1.00 3.12 H new ATOM 0 HB2 ARG A 104 -5.110 11.693 6.027 1.00 60.02 H new ATOM 0 HB3 ARG A 104 -4.346 10.154 5.684 1.00 60.02 H new ATOM 0 HG2 ARG A 104 -5.078 10.585 3.211 1.00 21.13 H new ATOM 0 HG3 ARG A 104 -5.335 12.240 3.727 1.00 21.13 H new ATOM 0 HD2 ARG A 104 -2.670 10.801 4.001 1.00 55.11 H new ATOM 0 HD3 ARG A 104 -3.111 11.764 2.605 1.00 55.11 H new ATOM 0 HE ARG A 104 -3.559 13.445 4.760 1.00 30.11 H new ATOM 0 HH11 ARG A 104 -0.742 11.834 3.302 1.00 70.12 H new ATOM 0 HH12 ARG A 104 0.403 12.950 4.053 1.00 70.12 H new ATOM 0 HH21 ARG A 104 -2.079 14.756 5.797 1.00 21.11 H new ATOM 0 HH22 ARG A 104 -0.352 14.597 5.460 1.00 21.11 H new ATOM 976 N GLY A 105 -7.528 9.155 3.463 1.00 0.50 N ATOM 977 CA GLY A 105 -8.299 9.123 2.236 1.00 71.11 C ATOM 978 C GLY A 105 -7.466 9.711 1.101 1.00 3.20 C ATOM 979 O GLY A 105 -8.023 10.426 0.263 1.00 22.40 O ATOM 0 H GLY A 105 -7.108 8.254 3.692 1.00 0.50 H new ATOM 0 HA2 GLY A 105 -8.585 8.098 1.999 1.00 71.11 H new ATOM 0 HA3 GLY A 105 -9.221 9.691 2.358 1.00 71.11 H new ATOM 983 N ASP A 106 -6.141 9.489 1.107 1.00 73.13 N ATOM 984 CA ASP A 106 -5.226 10.004 0.078 1.00 45.41 C ATOM 985 C ASP A 106 -5.456 9.256 -1.260 1.00 50.22 C ATOM 986 O ASP A 106 -6.420 8.497 -1.412 1.00 3.42 O ATOM 987 CB ASP A 106 -3.749 9.869 0.497 1.00 70.03 C ATOM 988 CG ASP A 106 -2.920 10.957 -0.205 1.00 71.12 C ATOM 989 OD1 ASP A 106 -2.902 12.112 0.279 1.00 70.12 O ATOM 990 OD2 ASP A 106 -2.342 10.674 -1.279 1.00 35.41 O ATOM 0 H ASP A 106 -5.673 8.944 1.831 1.00 73.13 H new ATOM 0 HA ASP A 106 -5.442 11.065 -0.047 1.00 45.41 H new ATOM 0 HB2 ASP A 106 -3.656 9.966 1.579 1.00 70.03 H new ATOM 0 HB3 ASP A 106 -3.373 8.881 0.232 1.00 70.03 H new ATOM 995 N GLU A 107 -4.629 9.479 -2.280 1.00 22.32 N ATOM 996 CA GLU A 107 -4.702 8.823 -3.578 1.00 51.31 C ATOM 997 C GLU A 107 -3.862 7.560 -3.528 1.00 73.03 C ATOM 998 O GLU A 107 -2.811 7.499 -2.880 1.00 41.02 O ATOM 999 CB GLU A 107 -4.235 9.764 -4.692 1.00 24.13 C ATOM 1000 CG GLU A 107 -5.296 10.819 -5.032 1.00 75.02 C ATOM 1001 CD GLU A 107 -6.392 10.309 -5.980 1.00 54.01 C ATOM 1002 OE1 GLU A 107 -7.071 9.294 -5.674 1.00 3.53 O ATOM 1003 OE2 GLU A 107 -6.601 10.955 -7.036 1.00 73.34 O ATOM 0 H GLU A 107 -3.861 10.148 -2.219 1.00 22.32 H new ATOM 0 HA GLU A 107 -5.735 8.558 -3.802 1.00 51.31 H new ATOM 0 HB2 GLU A 107 -3.314 10.261 -4.386 1.00 24.13 H new ATOM 0 HB3 GLU A 107 -4.002 9.183 -5.584 1.00 24.13 H new ATOM 0 HG2 GLU A 107 -5.759 11.166 -4.109 1.00 75.02 H new ATOM 0 HG3 GLU A 107 -4.807 11.680 -5.487 1.00 75.02 H new ATOM 1010 N PHE A 108 -4.359 6.543 -4.235 1.00 2.14 N ATOM 1011 CA PHE A 108 -3.735 5.246 -4.322 1.00 52.33 C ATOM 1012 C PHE A 108 -3.783 4.773 -5.764 1.00 63.44 C ATOM 1013 O PHE A 108 -4.824 4.369 -6.282 1.00 50.21 O ATOM 1014 CB PHE A 108 -4.447 4.268 -3.379 1.00 21.23 C ATOM 1015 CG PHE A 108 -4.049 4.461 -1.932 1.00 53.22 C ATOM 1016 CD1 PHE A 108 -2.953 3.741 -1.429 1.00 55.42 C ATOM 1017 CD2 PHE A 108 -4.700 5.403 -1.115 1.00 2.43 C ATOM 1018 CE1 PHE A 108 -2.534 3.924 -0.104 1.00 24.30 C ATOM 1019 CE2 PHE A 108 -4.266 5.603 0.202 1.00 32.23 C ATOM 1020 CZ PHE A 108 -3.231 4.811 0.720 1.00 24.24 C ATOM 0 H PHE A 108 -5.225 6.612 -4.770 1.00 2.14 H new ATOM 0 HA PHE A 108 -2.691 5.302 -4.013 1.00 52.33 H new ATOM 0 HB2 PHE A 108 -5.525 4.396 -3.476 1.00 21.23 H new ATOM 0 HB3 PHE A 108 -4.219 3.246 -3.682 1.00 21.23 H new ATOM 0 HD1 PHE A 108 -2.431 3.043 -2.066 1.00 55.42 H new ATOM 0 HD2 PHE A 108 -5.533 5.971 -1.502 1.00 2.43 H new ATOM 0 HE1 PHE A 108 -1.680 3.384 0.277 1.00 24.30 H new ATOM 0 HE2 PHE A 108 -4.726 6.363 0.815 1.00 32.23 H new ATOM 0 HZ PHE A 108 -2.970 4.888 1.765 1.00 24.24 H new ATOM 1030 N SER A 109 -2.618 4.755 -6.386 1.00 52.54 N ATOM 1031 CA SER A 109 -2.407 4.320 -7.759 1.00 73.22 C ATOM 1032 C SER A 109 -2.088 2.820 -7.816 1.00 54.02 C ATOM 1033 O SER A 109 -1.934 2.169 -6.775 1.00 32.41 O ATOM 1034 CB SER A 109 -1.265 5.150 -8.381 1.00 51.25 C ATOM 1035 OG SER A 109 -0.475 5.844 -7.425 1.00 64.35 O ATOM 0 H SER A 109 -1.756 5.055 -5.931 1.00 52.54 H new ATOM 0 HA SER A 109 -3.321 4.480 -8.331 1.00 73.22 H new ATOM 0 HB2 SER A 109 -0.621 4.488 -8.960 1.00 51.25 H new ATOM 0 HB3 SER A 109 -1.691 5.871 -9.079 1.00 51.25 H new ATOM 0 HG SER A 109 0.229 6.347 -7.885 1.00 64.35 H new ATOM 1041 N PHE A 110 -2.007 2.272 -9.029 1.00 72.31 N ATOM 1042 CA PHE A 110 -1.697 0.877 -9.323 1.00 71.12 C ATOM 1043 C PHE A 110 -0.242 0.778 -9.815 1.00 12.31 C ATOM 1044 O PHE A 110 0.302 1.777 -10.285 1.00 11.14 O ATOM 1045 CB PHE A 110 -2.685 0.351 -10.374 1.00 13.11 C ATOM 1046 CG PHE A 110 -4.022 -0.073 -9.796 1.00 53.25 C ATOM 1047 CD1 PHE A 110 -5.048 0.870 -9.599 1.00 14.14 C ATOM 1048 CD2 PHE A 110 -4.242 -1.421 -9.453 1.00 61.54 C ATOM 1049 CE1 PHE A 110 -6.284 0.463 -9.062 1.00 43.32 C ATOM 1050 CE2 PHE A 110 -5.481 -1.828 -8.927 1.00 21.13 C ATOM 1051 CZ PHE A 110 -6.503 -0.885 -8.727 1.00 1.34 C ATOM 0 H PHE A 110 -2.164 2.820 -9.875 1.00 72.31 H new ATOM 0 HA PHE A 110 -1.797 0.264 -8.427 1.00 71.12 H new ATOM 0 HB2 PHE A 110 -2.852 1.126 -11.123 1.00 13.11 H new ATOM 0 HB3 PHE A 110 -2.236 -0.498 -10.889 1.00 13.11 H new ATOM 0 HD1 PHE A 110 -4.887 1.906 -9.860 1.00 14.14 H new ATOM 0 HD2 PHE A 110 -3.455 -2.146 -9.595 1.00 61.54 H new ATOM 0 HE1 PHE A 110 -7.068 1.190 -8.907 1.00 43.32 H new ATOM 0 HE2 PHE A 110 -5.647 -2.865 -8.677 1.00 21.13 H new ATOM 0 HZ PHE A 110 -7.453 -1.194 -8.317 1.00 1.34 H new ATOM 1061 N PRO A 111 0.399 -0.404 -9.736 1.00 70.51 N ATOM 1062 CA PRO A 111 1.784 -0.577 -10.172 1.00 52.22 C ATOM 1063 C PRO A 111 1.956 -0.419 -11.690 1.00 31.33 C ATOM 1064 O PRO A 111 0.981 -0.548 -12.437 1.00 23.04 O ATOM 1065 CB PRO A 111 2.198 -1.976 -9.705 1.00 15.02 C ATOM 1066 CG PRO A 111 0.883 -2.729 -9.519 1.00 25.41 C ATOM 1067 CD PRO A 111 -0.141 -1.645 -9.200 1.00 3.20 C ATOM 0 HA PRO A 111 2.417 0.198 -9.740 1.00 52.22 H new ATOM 0 HB2 PRO A 111 2.834 -2.467 -10.441 1.00 15.02 H new ATOM 0 HB3 PRO A 111 2.764 -1.931 -8.774 1.00 15.02 H new ATOM 0 HG2 PRO A 111 0.610 -3.279 -10.420 1.00 25.41 H new ATOM 0 HG3 PRO A 111 0.954 -3.457 -8.711 1.00 25.41 H new ATOM 0 HD2 PRO A 111 -1.106 -1.876 -9.651 1.00 3.20 H new ATOM 0 HD3 PRO A 111 -0.303 -1.567 -8.125 1.00 3.20 H new ATOM 1075 N PRO A 112 3.190 -0.186 -12.171 1.00 42.10 N ATOM 1076 CA PRO A 112 3.447 -0.030 -13.592 1.00 3.02 C ATOM 1077 C PRO A 112 3.218 -1.362 -14.306 1.00 52.43 C ATOM 1078 O PRO A 112 3.670 -2.417 -13.853 1.00 13.12 O ATOM 1079 CB PRO A 112 4.885 0.485 -13.702 1.00 40.30 C ATOM 1080 CG PRO A 112 5.550 -0.069 -12.445 1.00 15.43 C ATOM 1081 CD PRO A 112 4.423 -0.015 -11.415 1.00 15.23 C ATOM 0 HA PRO A 112 2.773 0.677 -14.076 1.00 3.02 H new ATOM 0 HB2 PRO A 112 5.373 0.126 -14.608 1.00 40.30 H new ATOM 0 HB3 PRO A 112 4.922 1.574 -13.731 1.00 40.30 H new ATOM 0 HG2 PRO A 112 5.913 -1.086 -12.594 1.00 15.43 H new ATOM 0 HG3 PRO A 112 6.406 0.534 -12.141 1.00 15.43 H new ATOM 0 HD2 PRO A 112 4.537 -0.801 -10.668 1.00 15.23 H new ATOM 0 HD3 PRO A 112 4.426 0.935 -10.881 1.00 15.23 H new ATOM 1089 N GLY A 113 2.543 -1.311 -15.453 1.00 11.21 N ATOM 1090 CA GLY A 113 2.206 -2.473 -16.264 1.00 34.45 C ATOM 1091 C GLY A 113 0.814 -3.013 -15.916 1.00 70.10 C ATOM 1092 O GLY A 113 0.366 -3.992 -16.522 1.00 73.34 O ATOM 0 H GLY A 113 2.207 -0.434 -15.852 1.00 11.21 H new ATOM 0 HA2 GLY A 113 2.240 -2.204 -17.320 1.00 34.45 H new ATOM 0 HA3 GLY A 113 2.950 -3.254 -16.110 1.00 34.45 H new ATOM 1096 N PHE A 114 0.137 -2.417 -14.925 1.00 50.13 N ATOM 1097 CA PHE A 114 -1.203 -2.816 -14.526 1.00 4.24 C ATOM 1098 C PHE A 114 -2.225 -2.309 -15.553 1.00 54.50 C ATOM 1099 O PHE A 114 -3.227 -2.988 -15.798 1.00 43.23 O ATOM 1100 CB PHE A 114 -1.524 -2.275 -13.125 1.00 31.30 C ATOM 1101 CG PHE A 114 -2.907 -2.648 -12.653 1.00 71.53 C ATOM 1102 CD1 PHE A 114 -4.006 -1.856 -13.025 1.00 55.14 C ATOM 1103 CD2 PHE A 114 -3.101 -3.793 -11.866 1.00 44.14 C ATOM 1104 CE1 PHE A 114 -5.304 -2.228 -12.651 1.00 41.04 C ATOM 1105 CE2 PHE A 114 -4.394 -4.136 -11.443 1.00 50.02 C ATOM 1106 CZ PHE A 114 -5.496 -3.374 -11.868 1.00 34.33 C ATOM 0 H PHE A 114 0.513 -1.641 -14.380 1.00 50.13 H new ATOM 0 HA PHE A 114 -1.256 -3.904 -14.491 1.00 4.24 H new ATOM 0 HB2 PHE A 114 -0.789 -2.657 -12.417 1.00 31.30 H new ATOM 0 HB3 PHE A 114 -1.428 -1.189 -13.130 1.00 31.30 H new ATOM 0 HD1 PHE A 114 -3.850 -0.956 -13.602 1.00 55.14 H new ATOM 0 HD2 PHE A 114 -2.258 -4.408 -11.587 1.00 44.14 H new ATOM 0 HE1 PHE A 114 -6.151 -1.635 -12.964 1.00 41.04 H new ATOM 0 HE2 PHE A 114 -4.542 -4.985 -10.792 1.00 50.02 H new ATOM 0 HZ PHE A 114 -6.496 -3.673 -11.590 1.00 34.33 H new ATOM 1116 N GLU A 115 -1.990 -1.116 -16.115 1.00 3.33 N ATOM 1117 CA GLU A 115 -2.840 -0.452 -17.096 1.00 71.54 C ATOM 1118 C GLU A 115 -3.009 -1.307 -18.334 1.00 54.42 C ATOM 1119 O GLU A 115 -2.016 -1.556 -19.048 1.00 3.03 O ATOM 1120 CB GLU A 115 -2.299 0.951 -17.427 1.00 45.01 C ATOM 1121 CG GLU A 115 -2.697 1.933 -16.314 1.00 42.24 C ATOM 1122 CD GLU A 115 -2.252 3.391 -16.511 1.00 23.33 C ATOM 1123 OE1 GLU A 115 -1.371 3.713 -17.344 1.00 33.14 O ATOM 1124 OE2 GLU A 115 -2.816 4.267 -15.814 1.00 15.03 O ATOM 0 H GLU A 115 -1.162 -0.567 -15.883 1.00 3.33 H new ATOM 0 HA GLU A 115 -3.831 -0.321 -16.662 1.00 71.54 H new ATOM 0 HB2 GLU A 115 -1.214 0.919 -17.527 1.00 45.01 H new ATOM 0 HB3 GLU A 115 -2.697 1.289 -18.384 1.00 45.01 H new ATOM 0 HG2 GLU A 115 -3.782 1.916 -16.212 1.00 42.24 H new ATOM 0 HG3 GLU A 115 -2.283 1.572 -15.373 1.00 42.24 H new TER 1131 GLU A 115