USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 714 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 82 MET CE :methyl -165:sc= -0.614 (180deg=-1.14) USER MOD Set 1.2: A 96 MET CE :methyl -156:sc= -1.26 (180deg=-2.81) USER MOD Set 2.1: A 75 ASN : amide:sc= 0.0354 K(o=0.035,f=-8.7!) USER MOD Set 2.2: A 78 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 52 ASN : amide:sc= -0.913 K(o=1.5,f=3.1) USER MOD Set 3.2: A 63 CYS SG : rot 180:sc= 1.08 USER MOD Set 3.3: A 90 CYS SG : rot -43:sc= 1.38 USER MOD Set 4.1: A 32 THR OG1 : rot 120:sc= 0.878 USER MOD Set 4.2: A 50 THR OG1 : rot 180:sc= 0.765 USER MOD Set 5.1: A 40 ASN : amide:sc= 0.0536 K(o=-0.41,f=-5.1!) USER MOD Set 5.2: A 117 GLN : amide:sc= -0.462 K(o=-0.41,f=0.5) USER MOD Single : A 26 GLN : amide:sc= -0.845 K(o=-0.85,f=0.069) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 158:sc= -0.201 (180deg=-1.33!) USER MOD Single : A 46 THR OG1 : rot -116:sc= 1.27 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0614 USER MOD Single : A 56 SER OG : rot -7:sc= 0.274 USER MOD Single : A 58 GLN : amide:sc= 0.275 K(o=0.28,f=-5.4!) USER MOD Single : A 65 THR OG1 : rot 145:sc= 1.23 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 71 SER OG : rot 70:sc= 0.00365 USER MOD Single : A 72 MET CE :methyl 174:sc= -0.295 (180deg=-0.338) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.0109 X(o=-0.011,f=-0.19) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0117 USER MOD Single : A 103 HIS : no HD1:sc= -0.717 X(o=-0.72,f=-0.67) USER MOD Single : A 108 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.41) USER MOD Single : A 109 GLN : amide:sc= 0.561 K(o=0.56,f=-0.017) USER MOD Single : A 112 ASN : amide:sc= 0.906 K(o=0.91,f=-4.2!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl -175:sc= -0.571 (180deg=-0.652) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N GLN A 26 -8.653 -12.391 -10.841 1.00 0.00 N ATOM 9 CA GLN A 26 -9.042 -12.670 -9.467 1.00 0.00 C ATOM 10 C GLN A 26 -8.951 -14.166 -9.235 1.00 0.00 C ATOM 11 O GLN A 26 -9.678 -14.935 -9.868 1.00 0.00 O ATOM 12 CB GLN A 26 -10.436 -12.100 -9.137 1.00 0.00 C ATOM 13 CG GLN A 26 -10.474 -11.257 -7.854 1.00 0.00 C ATOM 14 CD GLN A 26 -10.192 -12.051 -6.574 1.00 0.00 C ATOM 15 OE1 GLN A 26 -11.111 -12.449 -5.863 1.00 0.00 O ATOM 16 NE2 GLN A 26 -8.954 -12.361 -6.230 1.00 0.00 N ATOM 0 HA GLN A 26 -8.359 -12.167 -8.783 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.775 -11.488 -9.973 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.142 -12.925 -9.039 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.743 -10.453 -7.939 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.454 -10.788 -7.769 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.171 -12.044 -6.802 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.781 -12.917 -5.393 1.00 0.00 H new ATOM 25 N GLU A 27 -8.019 -14.559 -8.373 1.00 0.00 N ATOM 26 CA GLU A 27 -7.656 -15.942 -8.125 1.00 0.00 C ATOM 27 C GLU A 27 -7.185 -16.155 -6.682 1.00 0.00 C ATOM 28 O GLU A 27 -6.474 -17.115 -6.377 1.00 0.00 O ATOM 29 CB GLU A 27 -6.613 -16.357 -9.170 1.00 0.00 C ATOM 30 CG GLU A 27 -5.341 -15.483 -9.241 1.00 0.00 C ATOM 31 CD GLU A 27 -4.342 -16.091 -10.243 1.00 0.00 C ATOM 32 OE1 GLU A 27 -4.299 -17.332 -10.412 1.00 0.00 O ATOM 33 OE2 GLU A 27 -3.522 -15.361 -10.845 1.00 0.00 O ATOM 0 H GLU A 27 -7.481 -13.899 -7.812 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.529 -16.586 -8.231 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.313 -17.385 -8.966 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.088 -16.352 -10.151 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.602 -14.469 -9.545 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.882 -15.412 -8.255 1.00 0.00 H new ATOM 41 N LEU A 28 -7.543 -15.235 -5.782 1.00 0.00 N ATOM 42 CA LEU A 28 -7.108 -15.252 -4.389 1.00 0.00 C ATOM 43 C LEU A 28 -8.123 -14.485 -3.522 1.00 0.00 C ATOM 44 O LEU A 28 -8.260 -13.282 -3.710 1.00 0.00 O ATOM 45 CB LEU A 28 -5.693 -14.642 -4.313 1.00 0.00 C ATOM 46 CG LEU A 28 -4.971 -14.882 -2.978 1.00 0.00 C ATOM 47 CD1 LEU A 28 -4.689 -16.368 -2.728 1.00 0.00 C ATOM 48 CD2 LEU A 28 -3.618 -14.167 -3.005 1.00 0.00 C ATOM 0 H LEU A 28 -8.152 -14.448 -6.007 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.063 -16.271 -4.004 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.088 -15.056 -5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.763 -13.568 -4.487 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.623 -14.505 -2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.178 -16.486 -1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.630 -16.918 -2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.059 -16.758 -3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.100 -14.333 -2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.015 -14.560 -3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.774 -13.098 -3.150 1.00 0.00 H new ATOM 60 N PRO A 29 -8.900 -15.138 -2.645 1.00 0.00 N ATOM 61 CA PRO A 29 -10.062 -14.545 -1.971 1.00 0.00 C ATOM 62 C PRO A 29 -9.654 -13.607 -0.823 1.00 0.00 C ATOM 63 O PRO A 29 -8.591 -13.838 -0.240 1.00 0.00 O ATOM 64 CB PRO A 29 -10.848 -15.752 -1.451 1.00 0.00 C ATOM 65 CG PRO A 29 -9.755 -16.778 -1.181 1.00 0.00 C ATOM 66 CD PRO A 29 -8.784 -16.540 -2.320 1.00 0.00 C ATOM 0 HA PRO A 29 -10.646 -13.919 -2.645 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.408 -15.511 -0.547 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -11.568 -16.112 -2.186 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.285 -16.623 -0.210 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -10.145 -17.796 -1.188 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.765 -16.791 -2.025 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -9.029 -17.163 -3.180 1.00 0.00 H new ATOM 74 N PRO A 30 -10.477 -12.594 -0.466 1.00 0.00 N ATOM 75 CA PRO A 30 -10.128 -11.555 0.498 1.00 0.00 C ATOM 76 C PRO A 30 -10.022 -12.070 1.951 1.00 0.00 C ATOM 77 O PRO A 30 -10.484 -13.172 2.262 1.00 0.00 O ATOM 78 CB PRO A 30 -11.151 -10.443 0.302 1.00 0.00 C ATOM 79 CG PRO A 30 -12.388 -11.180 -0.186 1.00 0.00 C ATOM 80 CD PRO A 30 -11.793 -12.315 -1.017 1.00 0.00 C ATOM 0 HA PRO A 30 -9.121 -11.178 0.317 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.344 -9.907 1.231 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.809 -9.707 -0.426 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -12.989 -11.556 0.642 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -13.034 -10.536 -0.783 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.427 -13.201 -0.972 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -11.720 -12.029 -2.066 1.00 0.00 H new ATOM 88 N GLY A 31 -9.433 -11.275 2.855 1.00 0.00 N ATOM 89 CA GLY A 31 -8.965 -11.722 4.173 1.00 0.00 C ATOM 90 C GLY A 31 -8.036 -10.696 4.847 1.00 0.00 C ATOM 91 O GLY A 31 -8.196 -9.489 4.631 1.00 0.00 O ATOM 0 H GLY A 31 -9.265 -10.283 2.686 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.825 -11.907 4.817 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.437 -12.670 4.066 1.00 0.00 H new ATOM 95 N THR A 32 -7.079 -11.146 5.673 1.00 0.00 N ATOM 96 CA THR A 32 -5.970 -10.330 6.191 1.00 0.00 C ATOM 97 C THR A 32 -4.670 -11.147 6.194 1.00 0.00 C ATOM 98 O THR A 32 -4.694 -12.316 6.584 1.00 0.00 O ATOM 99 CB THR A 32 -6.330 -9.759 7.577 1.00 0.00 C ATOM 100 OG1 THR A 32 -5.432 -8.733 7.938 1.00 0.00 O ATOM 101 CG2 THR A 32 -6.338 -10.798 8.701 1.00 0.00 C ATOM 0 H THR A 32 -7.054 -12.109 6.007 1.00 0.00 H new ATOM 0 HA THR A 32 -5.802 -9.475 5.536 1.00 0.00 H new ATOM 0 HB THR A 32 -7.347 -9.381 7.470 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.926 -7.897 8.071 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.601 -10.314 9.642 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.070 -11.573 8.475 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.349 -11.248 8.788 1.00 0.00 H new ATOM 109 N TYR A 33 -3.542 -10.565 5.757 1.00 0.00 N ATOM 110 CA TYR A 33 -2.265 -11.272 5.625 1.00 0.00 C ATOM 111 C TYR A 33 -1.158 -10.537 6.386 1.00 0.00 C ATOM 112 O TYR A 33 -0.999 -9.324 6.245 1.00 0.00 O ATOM 113 CB TYR A 33 -1.913 -11.571 4.148 1.00 0.00 C ATOM 114 CG TYR A 33 -2.143 -10.520 3.053 1.00 0.00 C ATOM 115 CD1 TYR A 33 -1.500 -9.271 3.069 1.00 0.00 C ATOM 116 CD2 TYR A 33 -2.854 -10.867 1.886 1.00 0.00 C ATOM 117 CE1 TYR A 33 -1.655 -8.357 2.012 1.00 0.00 C ATOM 118 CE2 TYR A 33 -3.047 -9.938 0.844 1.00 0.00 C ATOM 119 CZ TYR A 33 -2.467 -8.661 0.910 1.00 0.00 C ATOM 120 OH TYR A 33 -2.590 -7.752 -0.098 1.00 0.00 O ATOM 0 H TYR A 33 -3.494 -9.583 5.484 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.366 -12.251 6.093 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.856 -11.837 4.119 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.473 -12.460 3.860 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.875 -9.008 3.909 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.258 -11.864 1.789 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.142 -7.408 2.049 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.646 -10.211 -0.012 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.185 -8.109 -0.790 1.00 0.00 H new ATOM 130 N ARG A 34 -0.414 -11.244 7.242 1.00 0.00 N ATOM 131 CA ARG A 34 0.735 -10.724 7.986 1.00 0.00 C ATOM 132 C ARG A 34 1.871 -10.549 6.995 1.00 0.00 C ATOM 133 O ARG A 34 2.351 -11.551 6.470 1.00 0.00 O ATOM 134 CB ARG A 34 1.114 -11.705 9.111 1.00 0.00 C ATOM 135 CG ARG A 34 2.053 -11.160 10.201 1.00 0.00 C ATOM 136 CD ARG A 34 3.382 -10.572 9.721 1.00 0.00 C ATOM 137 NE ARG A 34 4.461 -10.543 10.733 1.00 0.00 N ATOM 138 CZ ARG A 34 4.466 -10.188 12.031 1.00 0.00 C ATOM 139 NH1 ARG A 34 3.352 -10.018 12.740 1.00 0.00 N ATOM 140 NH2 ARG A 34 5.637 -9.982 12.620 1.00 0.00 N ATOM 0 H ARG A 34 -0.602 -12.226 7.442 1.00 0.00 H new ATOM 0 HA ARG A 34 0.506 -9.767 8.456 1.00 0.00 H new ATOM 0 HB2 ARG A 34 0.197 -12.048 9.590 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.584 -12.579 8.660 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.520 -10.390 10.758 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.269 -11.967 10.901 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.727 -11.148 8.862 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.206 -9.555 9.372 1.00 0.00 H new ATOM 0 HE ARG A 34 5.369 -10.849 10.382 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.442 -10.158 12.301 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.409 -9.748 13.722 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.501 -10.094 12.090 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.673 -9.712 13.603 1.00 0.00 H new ATOM 154 N VAL A 35 2.306 -9.320 6.733 1.00 0.00 N ATOM 155 CA VAL A 35 3.410 -9.048 5.820 1.00 0.00 C ATOM 156 C VAL A 35 4.121 -7.758 6.197 1.00 0.00 C ATOM 157 O VAL A 35 3.577 -6.936 6.942 1.00 0.00 O ATOM 158 CB VAL A 35 2.900 -8.986 4.368 1.00 0.00 C ATOM 159 CG1 VAL A 35 2.429 -10.315 3.792 1.00 0.00 C ATOM 160 CG2 VAL A 35 1.753 -7.978 4.213 1.00 0.00 C ATOM 0 H VAL A 35 1.901 -8.482 7.150 1.00 0.00 H new ATOM 0 HA VAL A 35 4.130 -9.863 5.900 1.00 0.00 H new ATOM 0 HB VAL A 35 3.780 -8.675 3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.090 -10.167 2.767 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.253 -11.028 3.802 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.607 -10.702 4.394 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.420 -7.963 3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.923 -8.270 4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.101 -6.985 4.497 1.00 0.00 H new ATOM 170 N ASP A 36 5.315 -7.578 5.633 1.00 0.00 N ATOM 171 CA ASP A 36 6.133 -6.387 5.799 1.00 0.00 C ATOM 172 C ASP A 36 5.881 -5.511 4.586 1.00 0.00 C ATOM 173 O ASP A 36 6.019 -5.950 3.444 1.00 0.00 O ATOM 174 CB ASP A 36 7.643 -6.645 5.937 1.00 0.00 C ATOM 175 CG ASP A 36 8.058 -7.952 6.591 1.00 0.00 C ATOM 176 OD1 ASP A 36 8.756 -8.763 5.947 1.00 0.00 O ATOM 177 OD2 ASP A 36 7.663 -8.189 7.754 1.00 0.00 O ATOM 0 H ASP A 36 5.748 -8.279 5.032 1.00 0.00 H new ATOM 0 HA ASP A 36 5.844 -5.919 6.740 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.086 -6.607 4.942 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.077 -5.826 6.510 1.00 0.00 H new ATOM 183 N ILE A 37 5.473 -4.276 4.826 1.00 0.00 N ATOM 184 CA ILE A 37 5.155 -3.278 3.829 1.00 0.00 C ATOM 185 C ILE A 37 6.486 -2.703 3.352 1.00 0.00 C ATOM 186 O ILE A 37 7.051 -1.802 3.976 1.00 0.00 O ATOM 187 CB ILE A 37 4.163 -2.264 4.449 1.00 0.00 C ATOM 188 CG1 ILE A 37 2.841 -2.976 4.841 1.00 0.00 C ATOM 189 CG2 ILE A 37 3.823 -1.130 3.471 1.00 0.00 C ATOM 190 CD1 ILE A 37 2.751 -3.409 6.307 1.00 0.00 C ATOM 0 H ILE A 37 5.349 -3.928 5.777 1.00 0.00 H new ATOM 0 HA ILE A 37 4.644 -3.665 2.948 1.00 0.00 H new ATOM 0 HB ILE A 37 4.648 -1.843 5.330 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.007 -2.308 4.623 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.718 -3.856 4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.124 -0.439 3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.734 -0.596 3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.369 -1.548 2.573 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.792 -3.897 6.484 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.559 -4.105 6.531 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.837 -2.534 6.951 1.00 0.00 H new ATOM 202 N TYR A 38 7.021 -3.258 2.269 1.00 0.00 N ATOM 203 CA TYR A 38 8.322 -2.899 1.725 1.00 0.00 C ATOM 204 C TYR A 38 8.101 -1.879 0.619 1.00 0.00 C ATOM 205 O TYR A 38 7.908 -2.256 -0.532 1.00 0.00 O ATOM 206 CB TYR A 38 9.068 -4.146 1.228 1.00 0.00 C ATOM 207 CG TYR A 38 10.149 -4.631 2.172 1.00 0.00 C ATOM 208 CD1 TYR A 38 11.455 -4.107 2.118 1.00 0.00 C ATOM 209 CD2 TYR A 38 9.845 -5.640 3.096 1.00 0.00 C ATOM 210 CE1 TYR A 38 12.452 -4.600 2.982 1.00 0.00 C ATOM 211 CE2 TYR A 38 10.829 -6.132 3.971 1.00 0.00 C ATOM 212 CZ TYR A 38 12.139 -5.607 3.922 1.00 0.00 C ATOM 213 OH TYR A 38 13.085 -6.091 4.773 1.00 0.00 O ATOM 0 H TYR A 38 6.549 -3.987 1.734 1.00 0.00 H new ATOM 0 HA TYR A 38 8.953 -2.457 2.496 1.00 0.00 H new ATOM 0 HB2 TYR A 38 8.348 -4.950 1.072 1.00 0.00 H new ATOM 0 HB3 TYR A 38 9.517 -3.927 0.259 1.00 0.00 H new ATOM 0 HD1 TYR A 38 11.693 -3.325 1.412 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.844 -6.044 3.136 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.457 -4.208 2.926 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.584 -6.910 4.679 1.00 0.00 H new ATOM 0 HH TYR A 38 12.687 -6.777 5.348 1.00 0.00 H new ATOM 223 N LEU A 39 8.106 -0.592 0.972 1.00 0.00 N ATOM 224 CA LEU A 39 7.936 0.496 0.017 1.00 0.00 C ATOM 225 C LEU A 39 9.275 0.847 -0.610 1.00 0.00 C ATOM 226 O LEU A 39 10.208 1.178 0.122 1.00 0.00 O ATOM 227 CB LEU A 39 7.324 1.712 0.708 1.00 0.00 C ATOM 228 CG LEU A 39 6.959 2.845 -0.264 1.00 0.00 C ATOM 229 CD1 LEU A 39 5.539 2.655 -0.788 1.00 0.00 C ATOM 230 CD2 LEU A 39 6.979 4.204 0.420 1.00 0.00 C ATOM 0 H LEU A 39 8.229 -0.277 1.934 1.00 0.00 H new ATOM 0 HA LEU A 39 7.257 0.176 -0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.428 1.402 1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.027 2.092 1.450 1.00 0.00 H new ATOM 0 HG LEU A 39 7.697 2.811 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.293 3.465 -1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.469 1.701 -1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.839 2.663 0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.716 4.978 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.259 4.210 1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.977 4.399 0.813 1.00 0.00 H new ATOM 242 N ASN A 40 9.354 0.796 -1.942 1.00 0.00 N ATOM 243 CA ASN A 40 10.524 1.125 -2.765 1.00 0.00 C ATOM 244 C ASN A 40 11.804 0.543 -2.185 1.00 0.00 C ATOM 245 O ASN A 40 12.840 1.214 -2.156 1.00 0.00 O ATOM 246 CB ASN A 40 10.672 2.639 -3.022 1.00 0.00 C ATOM 247 CG ASN A 40 9.422 3.325 -3.539 1.00 0.00 C ATOM 248 OD1 ASN A 40 8.841 2.884 -4.525 1.00 0.00 O ATOM 249 ND2 ASN A 40 8.990 4.407 -2.910 1.00 0.00 N ATOM 0 H ASN A 40 8.557 0.507 -2.510 1.00 0.00 H new ATOM 0 HA ASN A 40 10.349 0.657 -3.734 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.976 3.122 -2.093 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.477 2.794 -3.740 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.157 4.892 -3.244 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.490 4.755 -2.092 1.00 0.00 H new ATOM 256 N ASN A 41 11.741 -0.717 -1.756 1.00 0.00 N ATOM 257 CA ASN A 41 12.840 -1.444 -1.137 1.00 0.00 C ATOM 258 C ASN A 41 13.302 -0.717 0.140 1.00 0.00 C ATOM 259 O ASN A 41 14.457 -0.295 0.219 1.00 0.00 O ATOM 260 CB ASN A 41 13.984 -1.657 -2.154 1.00 0.00 C ATOM 261 CG ASN A 41 13.536 -2.119 -3.529 1.00 0.00 C ATOM 262 OD1 ASN A 41 13.062 -3.240 -3.695 1.00 0.00 O ATOM 263 ND2 ASN A 41 13.688 -1.269 -4.532 1.00 0.00 N ATOM 0 H ASN A 41 10.892 -1.276 -1.834 1.00 0.00 H new ATOM 0 HA ASN A 41 12.501 -2.435 -0.835 1.00 0.00 H new ATOM 0 HB2 ASN A 41 14.534 -0.722 -2.262 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.680 -2.391 -1.748 1.00 0.00 H new ATOM 0 HD21 ASN A 41 13.408 -1.538 -5.475 1.00 0.00 H new ATOM 0 HD22 ASN A 41 14.085 -0.345 -4.362 1.00 0.00 H new ATOM 270 N GLY A 42 12.398 -0.512 1.117 1.00 0.00 N ATOM 271 CA GLY A 42 12.708 0.296 2.302 1.00 0.00 C ATOM 272 C GLY A 42 12.132 -0.122 3.661 1.00 0.00 C ATOM 273 O GLY A 42 12.621 0.422 4.649 1.00 0.00 O ATOM 0 H GLY A 42 11.453 -0.895 1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.793 0.331 2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.374 1.314 2.102 1.00 0.00 H new ATOM 277 N TYR A 43 11.178 -1.069 3.744 1.00 0.00 N ATOM 278 CA TYR A 43 10.504 -1.540 4.977 1.00 0.00 C ATOM 279 C TYR A 43 9.852 -0.417 5.823 1.00 0.00 C ATOM 280 O TYR A 43 10.535 0.353 6.494 1.00 0.00 O ATOM 281 CB TYR A 43 11.465 -2.384 5.831 1.00 0.00 C ATOM 282 CG TYR A 43 10.938 -2.698 7.216 1.00 0.00 C ATOM 283 CD1 TYR A 43 9.637 -3.214 7.369 1.00 0.00 C ATOM 284 CD2 TYR A 43 11.718 -2.405 8.353 1.00 0.00 C ATOM 285 CE1 TYR A 43 9.108 -3.386 8.654 1.00 0.00 C ATOM 286 CE2 TYR A 43 11.200 -2.615 9.642 1.00 0.00 C ATOM 287 CZ TYR A 43 9.881 -3.096 9.793 1.00 0.00 C ATOM 288 OH TYR A 43 9.335 -3.268 11.026 1.00 0.00 O ATOM 0 H TYR A 43 10.837 -1.553 2.913 1.00 0.00 H new ATOM 0 HA TYR A 43 9.675 -2.161 4.638 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.672 -3.319 5.311 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.413 -1.854 5.925 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.051 -3.476 6.501 1.00 0.00 H new ATOM 0 HD2 TYR A 43 12.719 -2.017 8.233 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.096 -3.745 8.772 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.807 -2.410 10.512 1.00 0.00 H new ATOM 0 HH TYR A 43 9.993 -3.027 11.711 1.00 0.00 H new ATOM 298 N MET A 44 8.517 -0.333 5.840 1.00 0.00 N ATOM 299 CA MET A 44 7.771 0.767 6.469 1.00 0.00 C ATOM 300 C MET A 44 6.912 0.332 7.667 1.00 0.00 C ATOM 301 O MET A 44 6.565 1.198 8.474 1.00 0.00 O ATOM 302 CB MET A 44 6.876 1.453 5.418 1.00 0.00 C ATOM 303 CG MET A 44 7.597 1.957 4.163 1.00 0.00 C ATOM 304 SD MET A 44 8.401 3.586 4.231 1.00 0.00 S ATOM 305 CE MET A 44 9.879 3.292 5.233 1.00 0.00 C ATOM 0 H MET A 44 7.915 -1.036 5.412 1.00 0.00 H new ATOM 0 HA MET A 44 8.517 1.459 6.859 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.101 0.750 5.113 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.373 2.297 5.890 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.356 1.222 3.897 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.873 1.977 3.348 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.619 4.064 5.024 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.614 3.320 6.290 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.295 2.315 4.989 1.00 0.00 H new ATOM 315 N ALA A 45 6.517 -0.942 7.769 1.00 0.00 N ATOM 316 CA ALA A 45 5.585 -1.511 8.755 1.00 0.00 C ATOM 317 C ALA A 45 5.540 -3.030 8.546 1.00 0.00 C ATOM 318 O ALA A 45 5.891 -3.484 7.457 1.00 0.00 O ATOM 319 CB ALA A 45 4.195 -0.887 8.577 1.00 0.00 C ATOM 0 H ALA A 45 6.862 -1.652 7.123 1.00 0.00 H new ATOM 0 HA ALA A 45 5.917 -1.294 9.770 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.509 -1.312 9.310 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.259 0.191 8.722 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.828 -1.096 7.572 1.00 0.00 H new ATOM 325 N THR A 46 5.063 -3.790 9.533 1.00 0.00 N ATOM 326 CA THR A 46 4.826 -5.231 9.471 1.00 0.00 C ATOM 327 C THR A 46 3.574 -5.524 10.290 1.00 0.00 C ATOM 328 O THR A 46 3.599 -5.469 11.525 1.00 0.00 O ATOM 329 CB THR A 46 6.028 -6.053 9.978 1.00 0.00 C ATOM 330 OG1 THR A 46 7.119 -5.922 9.105 1.00 0.00 O ATOM 331 CG2 THR A 46 5.692 -7.542 10.069 1.00 0.00 C ATOM 0 H THR A 46 4.820 -3.396 10.442 1.00 0.00 H new ATOM 0 HA THR A 46 4.688 -5.529 8.432 1.00 0.00 H new ATOM 0 HB THR A 46 6.274 -5.668 10.967 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.322 -6.792 8.703 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.562 -8.090 10.430 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.861 -7.686 10.759 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.413 -7.913 9.083 1.00 0.00 H new ATOM 339 N ARG A 47 2.458 -5.813 9.629 1.00 0.00 N ATOM 340 CA ARG A 47 1.171 -6.031 10.282 1.00 0.00 C ATOM 341 C ARG A 47 0.330 -7.005 9.468 1.00 0.00 C ATOM 342 O ARG A 47 0.734 -7.390 8.372 1.00 0.00 O ATOM 343 CB ARG A 47 0.453 -4.694 10.575 1.00 0.00 C ATOM 344 CG ARG A 47 0.702 -3.528 9.594 1.00 0.00 C ATOM 345 CD ARG A 47 -0.559 -2.671 9.416 1.00 0.00 C ATOM 346 NE ARG A 47 -0.479 -1.819 8.219 1.00 0.00 N ATOM 347 CZ ARG A 47 0.247 -0.703 8.072 1.00 0.00 C ATOM 348 NH1 ARG A 47 0.938 -0.187 9.080 1.00 0.00 N ATOM 349 NH2 ARG A 47 0.285 -0.114 6.885 1.00 0.00 N ATOM 0 H ARG A 47 2.421 -5.904 8.614 1.00 0.00 H new ATOM 0 HA ARG A 47 1.337 -6.492 11.256 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.619 -4.886 10.605 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.746 -4.365 11.572 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.518 -2.907 9.964 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.015 -3.923 8.628 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.432 -3.320 9.342 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.701 -2.046 10.298 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.036 -2.109 7.415 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.924 -0.641 9.993 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.483 0.664 8.942 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.234 -0.511 6.102 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.833 0.737 6.755 1.00 0.00 H new ATOM 363 N ASP A 48 -0.810 -7.428 10.014 1.00 0.00 N ATOM 364 CA ASP A 48 -1.820 -8.202 9.308 1.00 0.00 C ATOM 365 C ASP A 48 -2.614 -7.184 8.501 1.00 0.00 C ATOM 366 O ASP A 48 -3.503 -6.504 9.018 1.00 0.00 O ATOM 367 CB ASP A 48 -2.698 -9.037 10.256 1.00 0.00 C ATOM 368 CG ASP A 48 -2.054 -10.364 10.663 1.00 0.00 C ATOM 369 OD1 ASP A 48 -2.627 -11.432 10.330 1.00 0.00 O ATOM 370 OD2 ASP A 48 -1.015 -10.346 11.364 1.00 0.00 O ATOM 0 H ASP A 48 -1.059 -7.235 10.984 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.367 -8.950 8.658 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.910 -8.454 11.152 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.654 -9.238 9.773 1.00 0.00 H new ATOM 376 N VAL A 49 -2.209 -6.996 7.250 1.00 0.00 N ATOM 377 CA VAL A 49 -2.744 -6.009 6.332 1.00 0.00 C ATOM 378 C VAL A 49 -4.041 -6.593 5.792 1.00 0.00 C ATOM 379 O VAL A 49 -4.036 -7.536 4.999 1.00 0.00 O ATOM 380 CB VAL A 49 -1.697 -5.651 5.256 1.00 0.00 C ATOM 381 CG1 VAL A 49 -2.081 -4.360 4.529 1.00 0.00 C ATOM 382 CG2 VAL A 49 -0.326 -5.371 5.877 1.00 0.00 C ATOM 0 H VAL A 49 -1.465 -7.555 6.834 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.967 -5.056 6.812 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.661 -6.506 4.581 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.328 -4.129 3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.050 -4.489 4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.139 -3.542 5.247 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.386 -5.122 5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.405 -4.535 6.572 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.019 -6.256 6.412 1.00 0.00 H new ATOM 392 N THR A 50 -5.164 -6.078 6.285 1.00 0.00 N ATOM 393 CA THR A 50 -6.484 -6.501 5.861 1.00 0.00 C ATOM 394 C THR A 50 -6.720 -5.976 4.453 1.00 0.00 C ATOM 395 O THR A 50 -6.882 -4.777 4.255 1.00 0.00 O ATOM 396 CB THR A 50 -7.521 -6.023 6.882 1.00 0.00 C ATOM 397 OG1 THR A 50 -7.097 -6.425 8.170 1.00 0.00 O ATOM 398 CG2 THR A 50 -8.890 -6.630 6.599 1.00 0.00 C ATOM 0 H THR A 50 -5.177 -5.348 6.997 1.00 0.00 H new ATOM 0 HA THR A 50 -6.574 -7.587 5.823 1.00 0.00 H new ATOM 0 HB THR A 50 -7.607 -4.938 6.818 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.749 -6.126 8.837 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.606 -6.273 7.339 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.220 -6.335 5.603 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.824 -7.717 6.652 1.00 0.00 H new ATOM 406 N PHE A 51 -6.664 -6.852 3.457 1.00 0.00 N ATOM 407 CA PHE A 51 -6.949 -6.534 2.080 1.00 0.00 C ATOM 408 C PHE A 51 -8.453 -6.481 1.817 1.00 0.00 C ATOM 409 O PHE A 51 -9.277 -6.721 2.704 1.00 0.00 O ATOM 410 CB PHE A 51 -6.203 -7.557 1.212 1.00 0.00 C ATOM 411 CG PHE A 51 -6.310 -9.020 1.612 1.00 0.00 C ATOM 412 CD1 PHE A 51 -5.547 -9.549 2.670 1.00 0.00 C ATOM 413 CD2 PHE A 51 -7.049 -9.897 0.812 1.00 0.00 C ATOM 414 CE1 PHE A 51 -5.545 -10.933 2.928 1.00 0.00 C ATOM 415 CE2 PHE A 51 -6.937 -11.285 1.012 1.00 0.00 C ATOM 416 CZ PHE A 51 -6.215 -11.812 2.080 1.00 0.00 C ATOM 0 H PHE A 51 -6.411 -7.830 3.599 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.596 -5.535 1.825 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -6.566 -7.460 0.189 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.147 -7.286 1.203 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -4.958 -8.888 3.289 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.703 -9.511 0.044 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.020 -11.316 3.790 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.423 -11.958 0.321 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.175 -12.878 2.247 1.00 0.00 H new ATOM 426 N ASN A 52 -8.811 -6.082 0.602 1.00 0.00 N ATOM 427 CA ASN A 52 -10.121 -6.185 -0.014 1.00 0.00 C ATOM 428 C ASN A 52 -9.914 -6.971 -1.302 1.00 0.00 C ATOM 429 O ASN A 52 -8.774 -7.234 -1.708 1.00 0.00 O ATOM 430 CB ASN A 52 -10.677 -4.813 -0.430 1.00 0.00 C ATOM 431 CG ASN A 52 -10.836 -3.733 0.635 1.00 0.00 C ATOM 432 OD1 ASN A 52 -11.275 -2.631 0.317 1.00 0.00 O ATOM 433 ND2 ASN A 52 -10.571 -4.007 1.900 1.00 0.00 N ATOM 0 H ASN A 52 -8.136 -5.644 -0.025 1.00 0.00 H new ATOM 0 HA ASN A 52 -10.813 -6.642 0.693 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.027 -4.415 -1.209 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -11.655 -4.976 -0.883 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.731 -3.301 2.619 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.207 -4.924 2.158 1.00 0.00 H new ATOM 440 N THR A 53 -11.002 -7.265 -1.999 1.00 0.00 N ATOM 441 CA THR A 53 -10.935 -7.691 -3.385 1.00 0.00 C ATOM 442 C THR A 53 -10.429 -6.530 -4.261 1.00 0.00 C ATOM 443 O THR A 53 -10.468 -5.362 -3.861 1.00 0.00 O ATOM 444 CB THR A 53 -12.302 -8.240 -3.837 1.00 0.00 C ATOM 445 OG1 THR A 53 -13.133 -8.630 -2.759 1.00 0.00 O ATOM 446 CG2 THR A 53 -12.060 -9.496 -4.661 1.00 0.00 C ATOM 0 H THR A 53 -11.948 -7.215 -1.621 1.00 0.00 H new ATOM 0 HA THR A 53 -10.221 -8.507 -3.494 1.00 0.00 H new ATOM 0 HB THR A 53 -12.796 -7.440 -4.388 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.984 -8.967 -3.108 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.015 -9.903 -4.993 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.450 -9.249 -5.530 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.542 -10.237 -4.052 1.00 0.00 H new ATOM 454 N GLY A 54 -9.951 -6.835 -5.460 1.00 0.00 N ATOM 455 CA GLY A 54 -9.326 -5.912 -6.390 1.00 0.00 C ATOM 456 C GLY A 54 -9.189 -6.604 -7.736 1.00 0.00 C ATOM 457 O GLY A 54 -9.943 -7.534 -8.028 1.00 0.00 O ATOM 0 H GLY A 54 -9.993 -7.786 -5.827 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.927 -5.008 -6.488 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.348 -5.606 -6.020 1.00 0.00 H new ATOM 461 N ASP A 55 -8.254 -6.135 -8.556 1.00 0.00 N ATOM 462 CA ASP A 55 -7.869 -6.787 -9.796 1.00 0.00 C ATOM 463 C ASP A 55 -6.397 -6.468 -10.027 1.00 0.00 C ATOM 464 O ASP A 55 -6.038 -5.309 -10.244 1.00 0.00 O ATOM 465 CB ASP A 55 -8.719 -6.284 -10.956 1.00 0.00 C ATOM 466 CG ASP A 55 -8.948 -7.398 -11.972 1.00 0.00 C ATOM 467 OD1 ASP A 55 -10.087 -7.895 -12.081 1.00 0.00 O ATOM 468 OD2 ASP A 55 -8.024 -7.717 -12.755 1.00 0.00 O ATOM 0 H ASP A 55 -7.736 -5.276 -8.371 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.025 -7.864 -9.731 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.677 -5.922 -10.583 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.225 -5.440 -11.438 1.00 0.00 H new ATOM 474 N SER A 56 -5.537 -7.467 -9.872 1.00 0.00 N ATOM 475 CA SER A 56 -4.103 -7.380 -10.096 1.00 0.00 C ATOM 476 C SER A 56 -3.613 -8.806 -10.357 1.00 0.00 C ATOM 477 O SER A 56 -4.427 -9.685 -10.653 1.00 0.00 O ATOM 478 CB SER A 56 -3.356 -6.805 -8.869 1.00 0.00 C ATOM 479 OG SER A 56 -3.846 -5.575 -8.385 1.00 0.00 O ATOM 0 H SER A 56 -5.834 -8.397 -9.575 1.00 0.00 H new ATOM 0 HA SER A 56 -3.905 -6.711 -10.934 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.400 -7.537 -8.062 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.305 -6.681 -9.130 1.00 0.00 H new ATOM 0 HG SER A 56 -4.531 -5.232 -8.996 1.00 0.00 H new ATOM 485 N GLU A 57 -2.314 -9.033 -10.141 1.00 0.00 N ATOM 486 CA GLU A 57 -1.639 -10.314 -10.020 1.00 0.00 C ATOM 487 C GLU A 57 -2.550 -11.393 -9.433 1.00 0.00 C ATOM 488 O GLU A 57 -2.802 -12.393 -10.092 1.00 0.00 O ATOM 489 CB GLU A 57 -0.391 -10.155 -9.129 1.00 0.00 C ATOM 490 CG GLU A 57 0.585 -9.055 -9.560 1.00 0.00 C ATOM 491 CD GLU A 57 1.038 -9.217 -11.004 1.00 0.00 C ATOM 492 OE1 GLU A 57 0.569 -8.418 -11.848 1.00 0.00 O ATOM 493 OE2 GLU A 57 1.872 -10.106 -11.294 1.00 0.00 O ATOM 0 H GLU A 57 -1.660 -8.257 -10.039 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.353 -10.633 -11.022 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.717 -9.950 -8.109 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.144 -11.105 -9.108 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.109 -8.082 -9.438 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.456 -9.068 -8.905 1.00 0.00 H new ATOM 501 N GLN A 58 -3.050 -11.208 -8.207 1.00 0.00 N ATOM 502 CA GLN A 58 -3.865 -12.202 -7.504 1.00 0.00 C ATOM 503 C GLN A 58 -5.321 -11.750 -7.356 1.00 0.00 C ATOM 504 O GLN A 58 -6.216 -12.574 -7.149 1.00 0.00 O ATOM 505 CB GLN A 58 -3.255 -12.588 -6.143 1.00 0.00 C ATOM 506 CG GLN A 58 -1.886 -11.997 -5.765 1.00 0.00 C ATOM 507 CD GLN A 58 -2.035 -10.565 -5.253 1.00 0.00 C ATOM 508 OE1 GLN A 58 -2.413 -9.647 -5.975 1.00 0.00 O ATOM 509 NE2 GLN A 58 -1.788 -10.360 -3.975 1.00 0.00 N ATOM 0 H GLN A 58 -2.898 -10.354 -7.670 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.867 -13.098 -8.124 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.966 -12.304 -5.367 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.168 -13.674 -6.113 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.417 -12.615 -4.999 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.227 -12.011 -6.633 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.474 -11.131 -3.386 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.910 -9.430 -3.575 1.00 0.00 H new ATOM 518 N GLY A 59 -5.589 -10.450 -7.478 1.00 0.00 N ATOM 519 CA GLY A 59 -6.946 -9.929 -7.493 1.00 0.00 C ATOM 520 C GLY A 59 -7.448 -9.405 -6.148 1.00 0.00 C ATOM 521 O GLY A 59 -8.654 -9.303 -5.930 1.00 0.00 O ATOM 0 H GLY A 59 -4.869 -9.733 -7.569 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.002 -9.123 -8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.618 -10.716 -7.834 1.00 0.00 H new ATOM 525 N ILE A 60 -6.546 -9.131 -5.216 1.00 0.00 N ATOM 526 CA ILE A 60 -6.831 -8.515 -3.928 1.00 0.00 C ATOM 527 C ILE A 60 -5.835 -7.378 -3.749 1.00 0.00 C ATOM 528 O ILE A 60 -4.718 -7.446 -4.281 1.00 0.00 O ATOM 529 CB ILE A 60 -6.733 -9.559 -2.797 1.00 0.00 C ATOM 530 CG1 ILE A 60 -5.520 -10.501 -2.993 1.00 0.00 C ATOM 531 CG2 ILE A 60 -8.052 -10.349 -2.716 1.00 0.00 C ATOM 532 CD1 ILE A 60 -5.290 -11.385 -1.777 1.00 0.00 C ATOM 0 H ILE A 60 -5.556 -9.340 -5.342 1.00 0.00 H new ATOM 0 HA ILE A 60 -7.847 -8.122 -3.890 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.573 -9.039 -1.853 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.683 -11.126 -3.871 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.626 -9.908 -3.185 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.985 -11.088 -1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.874 -9.664 -2.509 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.232 -10.855 -3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.430 -12.031 -1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.101 -10.761 -0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.174 -11.998 -1.600 1.00 0.00 H new ATOM 544 N VAL A 61 -6.205 -6.344 -2.995 1.00 0.00 N ATOM 545 CA VAL A 61 -5.296 -5.248 -2.679 1.00 0.00 C ATOM 546 C VAL A 61 -5.399 -4.923 -1.183 1.00 0.00 C ATOM 547 O VAL A 61 -6.491 -5.013 -0.618 1.00 0.00 O ATOM 548 CB VAL A 61 -5.525 -4.021 -3.597 1.00 0.00 C ATOM 549 CG1 VAL A 61 -5.510 -4.360 -5.092 1.00 0.00 C ATOM 550 CG2 VAL A 61 -6.810 -3.232 -3.307 1.00 0.00 C ATOM 0 H VAL A 61 -7.136 -6.244 -2.590 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.271 -5.557 -2.882 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.669 -3.392 -3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.677 -3.453 -5.673 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.544 -4.789 -5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.299 -5.080 -5.310 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.885 -2.392 -3.998 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.674 -3.885 -3.433 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.784 -2.858 -2.283 1.00 0.00 H new ATOM 560 N PRO A 62 -4.298 -4.556 -0.506 1.00 0.00 N ATOM 561 CA PRO A 62 -4.302 -4.219 0.918 1.00 0.00 C ATOM 562 C PRO A 62 -5.149 -2.973 1.192 1.00 0.00 C ATOM 563 O PRO A 62 -5.216 -2.063 0.361 1.00 0.00 O ATOM 564 CB PRO A 62 -2.837 -4.010 1.276 1.00 0.00 C ATOM 565 CG PRO A 62 -2.148 -3.676 -0.040 1.00 0.00 C ATOM 566 CD PRO A 62 -2.966 -4.426 -1.077 1.00 0.00 C ATOM 0 HA PRO A 62 -4.751 -5.004 1.527 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -2.720 -3.202 1.998 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.410 -4.906 1.728 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.148 -2.603 -0.230 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.107 -4.000 -0.040 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.996 -3.882 -2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.532 -5.404 -1.286 1.00 0.00 H new ATOM 574 N CYS A 63 -5.759 -2.893 2.380 1.00 0.00 N ATOM 575 CA CYS A 63 -6.195 -1.626 2.954 1.00 0.00 C ATOM 576 C CYS A 63 -4.947 -0.871 3.384 1.00 0.00 C ATOM 577 O CYS A 63 -3.941 -1.438 3.824 1.00 0.00 O ATOM 578 CB CYS A 63 -7.126 -1.840 4.149 1.00 0.00 C ATOM 579 SG CYS A 63 -7.796 -0.314 4.861 1.00 0.00 S ATOM 0 H CYS A 63 -5.961 -3.704 2.964 1.00 0.00 H new ATOM 0 HA CYS A 63 -6.760 -1.060 2.214 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -7.955 -2.476 3.838 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.583 -2.380 4.925 1.00 0.00 H new ATOM 0 HG CYS A 63 -8.571 -0.606 5.863 1.00 0.00 H new ATOM 585 N LEU A 64 -5.015 0.434 3.199 1.00 0.00 N ATOM 586 CA LEU A 64 -3.968 1.398 3.429 1.00 0.00 C ATOM 587 C LEU A 64 -4.730 2.702 3.510 1.00 0.00 C ATOM 588 O LEU A 64 -5.471 3.011 2.579 1.00 0.00 O ATOM 589 CB LEU A 64 -2.944 1.463 2.278 1.00 0.00 C ATOM 590 CG LEU A 64 -3.121 0.593 1.014 1.00 0.00 C ATOM 591 CD1 LEU A 64 -4.253 1.166 0.151 1.00 0.00 C ATOM 592 CD2 LEU A 64 -1.835 0.520 0.179 1.00 0.00 C ATOM 0 H LEU A 64 -5.869 0.875 2.859 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.380 1.153 4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.897 2.501 1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.970 1.219 2.701 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.365 -0.418 1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.377 0.552 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.181 1.168 0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.006 2.186 -0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.006 -0.102 -0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.549 1.523 -0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.035 0.087 0.780 1.00 0.00 H new ATOM 604 N THR A 65 -4.607 3.426 4.609 1.00 0.00 N ATOM 605 CA THR A 65 -5.489 4.544 4.888 1.00 0.00 C ATOM 606 C THR A 65 -4.730 5.860 4.756 1.00 0.00 C ATOM 607 O THR A 65 -3.509 5.862 4.555 1.00 0.00 O ATOM 608 CB THR A 65 -6.153 4.322 6.254 1.00 0.00 C ATOM 609 OG1 THR A 65 -5.202 4.596 7.260 1.00 0.00 O ATOM 610 CG2 THR A 65 -6.677 2.881 6.424 1.00 0.00 C ATOM 0 H THR A 65 -3.901 3.258 5.326 1.00 0.00 H new ATOM 0 HA THR A 65 -6.295 4.606 4.156 1.00 0.00 H new ATOM 0 HB THR A 65 -7.012 4.989 6.329 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.649 5.003 8.031 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.138 2.775 7.406 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.416 2.669 5.652 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.848 2.179 6.335 1.00 0.00 H new ATOM 618 N ARG A 66 -5.413 7.003 4.883 1.00 0.00 N ATOM 619 CA ARG A 66 -4.711 8.288 4.851 1.00 0.00 C ATOM 620 C ARG A 66 -3.639 8.374 5.920 1.00 0.00 C ATOM 621 O ARG A 66 -2.601 8.989 5.671 1.00 0.00 O ATOM 622 CB ARG A 66 -5.692 9.452 4.985 1.00 0.00 C ATOM 623 CG ARG A 66 -6.255 9.883 3.628 1.00 0.00 C ATOM 624 CD ARG A 66 -5.806 11.314 3.293 1.00 0.00 C ATOM 625 NE ARG A 66 -6.784 12.309 3.766 1.00 0.00 N ATOM 626 CZ ARG A 66 -6.607 13.273 4.676 1.00 0.00 C ATOM 627 NH1 ARG A 66 -5.437 13.485 5.273 1.00 0.00 N ATOM 628 NH2 ARG A 66 -7.632 14.044 5.006 1.00 0.00 N ATOM 0 H ARG A 66 -6.424 7.065 5.006 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.218 8.358 3.881 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.512 9.162 5.643 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.190 10.298 5.455 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.916 9.197 2.852 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.344 9.831 3.645 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.836 11.509 3.750 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.676 11.413 2.215 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.712 12.256 3.347 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.633 12.901 5.042 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.344 14.231 5.962 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.541 13.899 4.568 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.512 14.783 5.698 1.00 0.00 H new ATOM 642 N ALA A 67 -3.871 7.761 7.076 1.00 0.00 N ATOM 643 CA ALA A 67 -2.844 7.660 8.092 1.00 0.00 C ATOM 644 C ALA A 67 -1.767 6.669 7.660 1.00 0.00 C ATOM 645 O ALA A 67 -0.610 7.055 7.578 1.00 0.00 O ATOM 646 CB ALA A 67 -3.435 7.248 9.433 1.00 0.00 C ATOM 0 H ALA A 67 -4.760 7.329 7.327 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.391 8.644 8.212 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.640 7.180 10.176 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.167 7.990 9.751 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.922 6.278 9.333 1.00 0.00 H new ATOM 652 N GLN A 68 -2.118 5.411 7.357 1.00 0.00 N ATOM 653 CA GLN A 68 -1.141 4.347 7.093 1.00 0.00 C ATOM 654 C GLN A 68 -0.194 4.710 5.942 1.00 0.00 C ATOM 655 O GLN A 68 0.943 4.243 5.872 1.00 0.00 O ATOM 656 CB GLN A 68 -1.867 3.049 6.715 1.00 0.00 C ATOM 657 CG GLN A 68 -2.897 2.513 7.723 1.00 0.00 C ATOM 658 CD GLN A 68 -2.302 1.557 8.744 1.00 0.00 C ATOM 659 OE1 GLN A 68 -1.317 1.870 9.404 1.00 0.00 O ATOM 660 NE2 GLN A 68 -2.853 0.360 8.866 1.00 0.00 N ATOM 0 H GLN A 68 -3.088 5.103 7.288 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.559 4.218 8.005 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.374 3.208 5.763 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -1.117 2.275 6.552 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -3.354 3.353 8.246 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.694 2.004 7.181 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.672 0.116 8.309 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.459 -0.319 9.517 1.00 0.00 H new ATOM 669 N LEU A 69 -0.662 5.532 5.008 1.00 0.00 N ATOM 670 CA LEU A 69 0.109 5.969 3.861 1.00 0.00 C ATOM 671 C LEU A 69 0.974 7.160 4.219 1.00 0.00 C ATOM 672 O LEU A 69 2.156 7.171 3.899 1.00 0.00 O ATOM 673 CB LEU A 69 -0.840 6.279 2.710 1.00 0.00 C ATOM 674 CG LEU A 69 -1.525 5.001 2.214 1.00 0.00 C ATOM 675 CD1 LEU A 69 -2.590 5.384 1.194 1.00 0.00 C ATOM 676 CD2 LEU A 69 -0.516 4.012 1.627 1.00 0.00 C ATOM 0 H LEU A 69 -1.606 5.917 5.032 1.00 0.00 H new ATOM 0 HA LEU A 69 0.784 5.173 3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.592 6.998 3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.289 6.743 1.892 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.996 4.494 3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.087 4.484 0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.324 6.040 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.122 5.903 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.039 3.118 1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.001 4.475 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.211 3.738 2.391 1.00 0.00 H new ATOM 688 N ALA A 70 0.436 8.146 4.925 1.00 0.00 N ATOM 689 CA ALA A 70 1.279 9.215 5.429 1.00 0.00 C ATOM 690 C ALA A 70 2.277 8.687 6.484 1.00 0.00 C ATOM 691 O ALA A 70 3.272 9.360 6.745 1.00 0.00 O ATOM 692 CB ALA A 70 0.399 10.328 5.988 1.00 0.00 C ATOM 0 H ALA A 70 -0.554 8.226 5.156 1.00 0.00 H new ATOM 0 HA ALA A 70 1.875 9.620 4.611 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.028 11.133 6.368 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.246 10.713 5.198 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.215 9.934 6.798 1.00 0.00 H new ATOM 698 N SER A 71 2.069 7.484 7.043 1.00 0.00 N ATOM 699 CA SER A 71 3.039 6.813 7.900 1.00 0.00 C ATOM 700 C SER A 71 4.302 6.463 7.099 1.00 0.00 C ATOM 701 O SER A 71 5.383 6.928 7.443 1.00 0.00 O ATOM 702 CB SER A 71 2.459 5.553 8.539 1.00 0.00 C ATOM 703 OG SER A 71 1.626 5.861 9.635 1.00 0.00 O ATOM 0 H SER A 71 1.211 6.950 6.906 1.00 0.00 H new ATOM 0 HA SER A 71 3.298 7.502 8.704 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.890 4.996 7.795 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.271 4.905 8.870 1.00 0.00 H new ATOM 0 HG SER A 71 0.805 6.287 9.312 1.00 0.00 H new ATOM 709 N MET A 72 4.170 5.708 5.994 1.00 0.00 N ATOM 710 CA MET A 72 5.261 5.467 5.030 1.00 0.00 C ATOM 711 C MET A 72 5.688 6.763 4.304 1.00 0.00 C ATOM 712 O MET A 72 6.606 6.736 3.492 1.00 0.00 O ATOM 713 CB MET A 72 4.893 4.372 3.995 1.00 0.00 C ATOM 714 CG MET A 72 3.597 4.687 3.267 1.00 0.00 C ATOM 715 SD MET A 72 3.044 3.515 2.006 1.00 0.00 S ATOM 716 CE MET A 72 2.379 2.226 3.088 1.00 0.00 C ATOM 0 H MET A 72 3.297 5.244 5.742 1.00 0.00 H new ATOM 0 HA MET A 72 6.108 5.109 5.615 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.701 4.273 3.270 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.800 3.411 4.502 1.00 0.00 H new ATOM 0 HG2 MET A 72 2.806 4.778 4.012 1.00 0.00 H new ATOM 0 HG3 MET A 72 3.705 5.664 2.795 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.892 1.460 2.485 1.00 0.00 H new ATOM 0 HE2 MET A 72 3.191 1.776 3.660 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.653 2.664 3.772 1.00 0.00 H new ATOM 726 N GLY A 73 5.031 7.900 4.553 1.00 0.00 N ATOM 727 CA GLY A 73 5.426 9.197 4.022 1.00 0.00 C ATOM 728 C GLY A 73 4.816 9.515 2.656 1.00 0.00 C ATOM 729 O GLY A 73 5.275 10.457 2.010 1.00 0.00 O ATOM 0 H GLY A 73 4.197 7.940 5.139 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.134 9.973 4.730 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.512 9.231 3.941 1.00 0.00 H new ATOM 733 N LEU A 74 3.809 8.772 2.181 1.00 0.00 N ATOM 734 CA LEU A 74 3.073 9.134 0.965 1.00 0.00 C ATOM 735 C LEU A 74 2.479 10.537 1.141 1.00 0.00 C ATOM 736 O LEU A 74 2.056 10.934 2.232 1.00 0.00 O ATOM 737 CB LEU A 74 2.055 8.026 0.602 1.00 0.00 C ATOM 738 CG LEU A 74 0.729 8.366 -0.120 1.00 0.00 C ATOM 739 CD1 LEU A 74 -0.213 9.238 0.709 1.00 0.00 C ATOM 740 CD2 LEU A 74 0.850 8.845 -1.565 1.00 0.00 C ATOM 0 H LEU A 74 3.484 7.912 2.623 1.00 0.00 H new ATOM 0 HA LEU A 74 3.735 9.192 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.580 7.301 -0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.792 7.518 1.530 1.00 0.00 H new ATOM 0 HG LEU A 74 0.258 7.387 -0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.121 9.436 0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.470 8.720 1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.279 10.181 0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.143 9.052 -1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.451 9.754 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.329 8.072 -2.166 1.00 0.00 H new ATOM 752 N ASN A 75 2.467 11.291 0.046 1.00 0.00 N ATOM 753 CA ASN A 75 1.977 12.657 -0.077 1.00 0.00 C ATOM 754 C ASN A 75 0.573 12.688 -0.683 1.00 0.00 C ATOM 755 O ASN A 75 0.412 12.574 -1.898 1.00 0.00 O ATOM 756 CB ASN A 75 2.914 13.489 -0.967 1.00 0.00 C ATOM 757 CG ASN A 75 2.609 14.975 -0.817 1.00 0.00 C ATOM 758 OD1 ASN A 75 1.539 15.351 -0.347 1.00 0.00 O ATOM 759 ND2 ASN A 75 3.540 15.843 -1.156 1.00 0.00 N ATOM 0 H ASN A 75 2.825 10.937 -0.841 1.00 0.00 H new ATOM 0 HA ASN A 75 1.945 13.081 0.927 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.952 13.295 -0.695 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.796 13.190 -2.009 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.377 16.842 -1.029 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.424 15.516 -1.545 1.00 0.00 H new ATOM 766 N THR A 76 -0.465 12.848 0.137 1.00 0.00 N ATOM 767 CA THR A 76 -1.831 12.912 -0.359 1.00 0.00 C ATOM 768 C THR A 76 -2.108 14.228 -1.110 1.00 0.00 C ATOM 769 O THR A 76 -3.153 14.334 -1.747 1.00 0.00 O ATOM 770 CB THR A 76 -2.815 12.778 0.832 1.00 0.00 C ATOM 771 OG1 THR A 76 -2.931 13.975 1.587 1.00 0.00 O ATOM 772 CG2 THR A 76 -2.407 11.697 1.841 1.00 0.00 C ATOM 0 H THR A 76 -0.381 12.935 1.150 1.00 0.00 H new ATOM 0 HA THR A 76 -1.972 12.092 -1.063 1.00 0.00 H new ATOM 0 HB THR A 76 -3.757 12.520 0.347 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.563 13.837 2.323 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.139 11.657 2.648 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.365 10.729 1.341 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.426 11.935 2.253 1.00 0.00 H new ATOM 780 N ALA A 77 -1.272 15.268 -0.967 1.00 0.00 N ATOM 781 CA ALA A 77 -1.485 16.539 -1.653 1.00 0.00 C ATOM 782 C ALA A 77 -1.112 16.409 -3.121 1.00 0.00 C ATOM 783 O ALA A 77 -1.764 17.016 -3.968 1.00 0.00 O ATOM 784 CB ALA A 77 -0.641 17.653 -1.031 1.00 0.00 C ATOM 0 H ALA A 77 -0.440 15.247 -0.378 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.540 16.794 -1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.822 18.587 -1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.914 17.774 0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.415 17.393 -1.103 1.00 0.00 H new ATOM 790 N SER A 78 -0.080 15.614 -3.422 1.00 0.00 N ATOM 791 CA SER A 78 0.379 15.386 -4.781 1.00 0.00 C ATOM 792 C SER A 78 -0.729 14.805 -5.663 1.00 0.00 C ATOM 793 O SER A 78 -0.696 15.036 -6.868 1.00 0.00 O ATOM 794 CB SER A 78 1.597 14.458 -4.756 1.00 0.00 C ATOM 795 OG SER A 78 2.621 14.996 -3.947 1.00 0.00 O ATOM 0 H SER A 78 0.459 15.110 -2.718 1.00 0.00 H new ATOM 0 HA SER A 78 0.662 16.345 -5.216 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.306 13.478 -4.378 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.968 14.311 -5.770 1.00 0.00 H new ATOM 0 HG SER A 78 3.389 14.387 -3.943 1.00 0.00 H new ATOM 801 N VAL A 79 -1.709 14.099 -5.086 1.00 0.00 N ATOM 802 CA VAL A 79 -2.732 13.384 -5.804 1.00 0.00 C ATOM 803 C VAL A 79 -4.079 13.997 -5.439 1.00 0.00 C ATOM 804 O VAL A 79 -4.609 13.790 -4.338 1.00 0.00 O ATOM 805 CB VAL A 79 -2.545 11.878 -5.549 1.00 0.00 C ATOM 806 CG1 VAL A 79 -1.896 11.477 -4.216 1.00 0.00 C ATOM 807 CG2 VAL A 79 -3.776 11.024 -5.875 1.00 0.00 C ATOM 0 H VAL A 79 -1.801 14.017 -4.073 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.670 13.480 -6.888 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.785 11.635 -6.291 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.822 10.391 -4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.899 11.913 -4.151 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.506 11.842 -3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.558 9.977 -5.667 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.617 11.348 -5.262 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.030 11.139 -6.929 1.00 0.00 H new ATOM 817 N ALA A 80 -4.622 14.786 -6.369 1.00 0.00 N ATOM 818 CA ALA A 80 -5.999 15.246 -6.300 1.00 0.00 C ATOM 819 C ALA A 80 -6.893 14.022 -6.101 1.00 0.00 C ATOM 820 O ALA A 80 -6.741 13.008 -6.791 1.00 0.00 O ATOM 821 CB ALA A 80 -6.365 16.007 -7.574 1.00 0.00 C ATOM 0 H ALA A 80 -4.115 15.120 -7.188 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.136 15.934 -5.466 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.399 16.347 -7.511 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.706 16.868 -7.685 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.251 15.350 -8.436 1.00 0.00 H new ATOM 827 N GLY A 81 -7.788 14.089 -5.123 1.00 0.00 N ATOM 828 CA GLY A 81 -8.630 12.969 -4.753 1.00 0.00 C ATOM 829 C GLY A 81 -8.101 12.139 -3.597 1.00 0.00 C ATOM 830 O GLY A 81 -8.819 11.264 -3.126 1.00 0.00 O ATOM 0 H GLY A 81 -7.947 14.928 -4.565 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.619 13.345 -4.491 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.755 12.322 -5.621 1.00 0.00 H new ATOM 834 N MET A 82 -6.889 12.385 -3.088 1.00 0.00 N ATOM 835 CA MET A 82 -6.427 11.667 -1.900 1.00 0.00 C ATOM 836 C MET A 82 -6.649 12.471 -0.633 1.00 0.00 C ATOM 837 O MET A 82 -7.042 11.925 0.391 1.00 0.00 O ATOM 838 CB MET A 82 -4.975 11.236 -2.073 1.00 0.00 C ATOM 839 CG MET A 82 -4.622 10.139 -1.069 1.00 0.00 C ATOM 840 SD MET A 82 -3.141 9.187 -1.500 1.00 0.00 S ATOM 841 CE MET A 82 -3.744 8.294 -2.958 1.00 0.00 C ATOM 0 H MET A 82 -6.226 13.059 -3.470 1.00 0.00 H new ATOM 0 HA MET A 82 -7.027 10.764 -1.790 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.815 10.874 -3.088 1.00 0.00 H new ATOM 0 HB3 MET A 82 -4.316 12.092 -1.933 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.476 10.592 -0.089 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.467 9.456 -0.982 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.064 7.475 -3.190 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.738 7.894 -2.755 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.794 8.975 -3.807 1.00 0.00 H new ATOM 851 N ASN A 83 -6.444 13.782 -0.696 1.00 0.00 N ATOM 852 CA ASN A 83 -6.470 14.700 0.446 1.00 0.00 C ATOM 853 C ASN A 83 -7.843 14.888 1.110 1.00 0.00 C ATOM 854 O ASN A 83 -7.963 15.684 2.042 1.00 0.00 O ATOM 855 CB ASN A 83 -5.888 16.042 0.001 1.00 0.00 C ATOM 856 CG ASN A 83 -6.761 16.798 -0.995 1.00 0.00 C ATOM 857 OD1 ASN A 83 -7.762 17.423 -0.658 1.00 0.00 O ATOM 858 ND2 ASN A 83 -6.408 16.715 -2.267 1.00 0.00 N ATOM 0 H ASN A 83 -6.247 14.257 -1.577 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.864 14.242 1.228 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.732 16.668 0.880 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.909 15.871 -0.446 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.970 17.174 -2.983 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.573 16.192 -2.532 1.00 0.00 H new ATOM 865 N LEU A 84 -8.859 14.158 0.654 1.00 0.00 N ATOM 866 CA LEU A 84 -10.258 14.210 1.059 1.00 0.00 C ATOM 867 C LEU A 84 -10.753 12.853 1.589 1.00 0.00 C ATOM 868 O LEU A 84 -11.915 12.729 1.983 1.00 0.00 O ATOM 869 CB LEU A 84 -11.173 14.756 -0.057 1.00 0.00 C ATOM 870 CG LEU A 84 -10.900 14.318 -1.503 1.00 0.00 C ATOM 871 CD1 LEU A 84 -9.632 14.979 -2.038 1.00 0.00 C ATOM 872 CD2 LEU A 84 -10.828 12.802 -1.625 1.00 0.00 C ATOM 0 H LEU A 84 -8.709 13.456 -0.070 1.00 0.00 H new ATOM 0 HA LEU A 84 -10.315 14.919 1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -12.198 14.476 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.123 15.844 -0.025 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.738 14.650 -2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.458 14.655 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.749 16.062 -2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.783 14.693 -1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.634 12.529 -2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.024 12.424 -0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -11.775 12.366 -1.307 1.00 0.00 H new ATOM 884 N LEU A 85 -9.896 11.823 1.560 1.00 0.00 N ATOM 885 CA LEU A 85 -10.187 10.497 2.099 1.00 0.00 C ATOM 886 C LEU A 85 -10.001 10.508 3.610 1.00 0.00 C ATOM 887 O LEU A 85 -9.445 11.465 4.155 1.00 0.00 O ATOM 888 CB LEU A 85 -9.246 9.471 1.444 1.00 0.00 C ATOM 889 CG LEU A 85 -9.784 9.050 0.069 1.00 0.00 C ATOM 890 CD1 LEU A 85 -8.677 8.473 -0.805 1.00 0.00 C ATOM 891 CD2 LEU A 85 -10.860 7.973 0.220 1.00 0.00 C ATOM 0 H LEU A 85 -8.964 11.895 1.152 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.219 10.222 1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.250 9.900 1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.148 8.596 2.087 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.197 9.945 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.090 8.184 -1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.901 9.224 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.248 7.598 -0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.229 7.687 -0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.434 7.100 0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.684 8.363 0.817 1.00 0.00 H new ATOM 903 N ALA A 86 -10.421 9.429 4.276 1.00 0.00 N ATOM 904 CA ALA A 86 -10.335 9.313 5.721 1.00 0.00 C ATOM 905 C ALA A 86 -9.101 8.543 6.164 1.00 0.00 C ATOM 906 O ALA A 86 -8.532 7.730 5.426 1.00 0.00 O ATOM 907 CB ALA A 86 -11.579 8.626 6.271 1.00 0.00 C ATOM 0 H ALA A 86 -10.830 8.613 3.820 1.00 0.00 H new ATOM 0 HA ALA A 86 -10.261 10.326 6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.501 8.546 7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.462 9.211 6.013 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.665 7.629 5.839 1.00 0.00 H new ATOM 913 N ASP A 87 -8.754 8.749 7.430 1.00 0.00 N ATOM 914 CA ASP A 87 -7.643 8.113 8.121 1.00 0.00 C ATOM 915 C ASP A 87 -7.883 6.636 8.423 1.00 0.00 C ATOM 916 O ASP A 87 -6.933 5.943 8.781 1.00 0.00 O ATOM 917 CB ASP A 87 -7.253 8.944 9.342 1.00 0.00 C ATOM 918 CG ASP A 87 -7.977 8.620 10.641 1.00 0.00 C ATOM 919 OD1 ASP A 87 -7.322 8.747 11.702 1.00 0.00 O ATOM 920 OD2 ASP A 87 -9.208 8.397 10.634 1.00 0.00 O ATOM 0 H ASP A 87 -9.266 9.396 8.029 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.785 8.095 7.448 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.182 8.824 9.509 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.424 9.995 9.109 1.00 0.00 H new ATOM 926 N ASP A 88 -9.081 6.122 8.131 1.00 0.00 N ATOM 927 CA ASP A 88 -9.366 4.691 8.025 1.00 0.00 C ATOM 928 C ASP A 88 -10.293 4.373 6.840 1.00 0.00 C ATOM 929 O ASP A 88 -11.111 3.444 6.873 1.00 0.00 O ATOM 930 CB ASP A 88 -9.861 4.151 9.370 1.00 0.00 C ATOM 931 CG ASP A 88 -8.736 3.385 10.075 1.00 0.00 C ATOM 932 OD1 ASP A 88 -8.095 3.944 10.990 1.00 0.00 O ATOM 933 OD2 ASP A 88 -8.453 2.225 9.685 1.00 0.00 O ATOM 0 H ASP A 88 -9.899 6.706 7.958 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.441 4.161 7.797 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.201 4.974 9.999 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -10.717 3.494 9.215 1.00 0.00 H new ATOM 939 N ALA A 89 -10.091 5.074 5.723 1.00 0.00 N ATOM 940 CA ALA A 89 -10.648 4.672 4.439 1.00 0.00 C ATOM 941 C ALA A 89 -9.628 3.793 3.711 1.00 0.00 C ATOM 942 O ALA A 89 -8.442 4.102 3.768 1.00 0.00 O ATOM 943 CB ALA A 89 -10.979 5.905 3.593 1.00 0.00 C ATOM 0 H ALA A 89 -9.539 5.931 5.687 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.569 4.112 4.601 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.394 5.589 2.636 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -11.708 6.522 4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.071 6.483 3.421 1.00 0.00 H new ATOM 949 N CYS A 90 -10.047 2.747 2.993 1.00 0.00 N ATOM 950 CA CYS A 90 -9.211 2.005 2.056 1.00 0.00 C ATOM 951 C CYS A 90 -8.812 2.919 0.889 1.00 0.00 C ATOM 952 O CYS A 90 -9.527 2.991 -0.115 1.00 0.00 O ATOM 953 CB CYS A 90 -9.991 0.791 1.537 1.00 0.00 C ATOM 954 SG CYS A 90 -10.542 -0.400 2.780 1.00 0.00 S ATOM 0 H CYS A 90 -11.000 2.387 3.051 1.00 0.00 H new ATOM 0 HA CYS A 90 -8.307 1.661 2.558 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -10.867 1.152 0.998 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -9.366 0.266 0.814 1.00 0.00 H new ATOM 0 HG CYS A 90 -9.585 -0.608 3.635 1.00 0.00 H new ATOM 960 N VAL A 91 -7.694 3.642 0.999 1.00 0.00 N ATOM 961 CA VAL A 91 -7.325 4.643 0.003 1.00 0.00 C ATOM 962 C VAL A 91 -7.037 3.892 -1.300 1.00 0.00 C ATOM 963 O VAL A 91 -6.373 2.851 -1.256 1.00 0.00 O ATOM 964 CB VAL A 91 -6.114 5.463 0.495 1.00 0.00 C ATOM 965 CG1 VAL A 91 -5.489 6.364 -0.581 1.00 0.00 C ATOM 966 CG2 VAL A 91 -6.496 6.348 1.692 1.00 0.00 C ATOM 0 H VAL A 91 -7.031 3.550 1.769 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.127 5.362 -0.165 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.373 4.716 0.779 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.645 6.906 -0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.144 5.751 -1.414 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.234 7.075 -0.938 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.624 6.915 2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.287 7.037 1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.848 5.720 2.511 1.00 0.00 H new ATOM 976 N PRO A 92 -7.479 4.378 -2.472 1.00 0.00 N ATOM 977 CA PRO A 92 -7.235 3.719 -3.743 1.00 0.00 C ATOM 978 C PRO A 92 -5.829 4.076 -4.238 1.00 0.00 C ATOM 979 O PRO A 92 -5.635 4.640 -5.318 1.00 0.00 O ATOM 980 CB PRO A 92 -8.377 4.193 -4.639 1.00 0.00 C ATOM 981 CG PRO A 92 -8.533 5.635 -4.190 1.00 0.00 C ATOM 982 CD PRO A 92 -8.280 5.568 -2.689 1.00 0.00 C ATOM 0 HA PRO A 92 -7.237 2.630 -3.705 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -8.127 4.117 -5.697 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.288 3.614 -4.484 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.819 6.290 -4.689 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.528 6.020 -4.413 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.757 6.459 -2.341 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.218 5.513 -2.137 1.00 0.00 H new ATOM 990 N LEU A 93 -4.833 3.751 -3.414 1.00 0.00 N ATOM 991 CA LEU A 93 -3.419 4.081 -3.551 1.00 0.00 C ATOM 992 C LEU A 93 -2.817 3.486 -4.817 1.00 0.00 C ATOM 993 O LEU A 93 -1.722 3.861 -5.176 1.00 0.00 O ATOM 994 CB LEU A 93 -2.713 3.598 -2.272 1.00 0.00 C ATOM 995 CG LEU A 93 -1.204 3.860 -2.065 1.00 0.00 C ATOM 996 CD1 LEU A 93 -0.301 2.730 -2.560 1.00 0.00 C ATOM 997 CD2 LEU A 93 -0.680 5.216 -2.542 1.00 0.00 C ATOM 0 H LEU A 93 -5.010 3.208 -2.569 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.286 5.157 -3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.236 4.045 -1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.865 2.521 -2.208 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.143 3.892 -0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.742 2.991 -2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.543 1.811 -2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.457 2.581 -3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.390 5.283 -2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.858 5.319 -3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.198 6.014 -2.010 1.00 0.00 H new ATOM 1009 N THR A 94 -3.510 2.604 -5.527 1.00 0.00 N ATOM 1010 CA THR A 94 -3.036 2.029 -6.779 1.00 0.00 C ATOM 1011 C THR A 94 -4.089 2.153 -7.893 1.00 0.00 C ATOM 1012 O THR A 94 -3.912 1.612 -8.982 1.00 0.00 O ATOM 1013 CB THR A 94 -2.542 0.599 -6.491 1.00 0.00 C ATOM 1014 OG1 THR A 94 -3.267 -0.039 -5.443 1.00 0.00 O ATOM 1015 CG2 THR A 94 -1.110 0.665 -5.966 1.00 0.00 C ATOM 0 H THR A 94 -4.429 2.264 -5.245 1.00 0.00 H new ATOM 0 HA THR A 94 -2.188 2.587 -7.175 1.00 0.00 H new ATOM 0 HB THR A 94 -2.656 0.050 -7.426 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.914 -0.942 -5.304 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.751 -0.343 -5.759 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.469 1.132 -6.714 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.085 1.254 -5.049 1.00 0.00 H new ATOM 1023 N THR A 95 -5.171 2.904 -7.651 1.00 0.00 N ATOM 1024 CA THR A 95 -6.012 3.431 -8.723 1.00 0.00 C ATOM 1025 C THR A 95 -5.571 4.874 -8.984 1.00 0.00 C ATOM 1026 O THR A 95 -5.099 5.187 -10.075 1.00 0.00 O ATOM 1027 CB THR A 95 -7.508 3.337 -8.375 1.00 0.00 C ATOM 1028 OG1 THR A 95 -7.846 2.097 -7.781 1.00 0.00 O ATOM 1029 CG2 THR A 95 -8.388 3.496 -9.612 1.00 0.00 C ATOM 0 H THR A 95 -5.483 3.159 -6.714 1.00 0.00 H new ATOM 0 HA THR A 95 -5.888 2.835 -9.627 1.00 0.00 H new ATOM 0 HB THR A 95 -7.687 4.149 -7.670 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.804 2.083 -7.576 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.437 3.424 -9.324 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.203 4.469 -10.067 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.153 2.709 -10.329 1.00 0.00 H new ATOM 1037 N MET A 96 -5.696 5.751 -7.981 1.00 0.00 N ATOM 1038 CA MET A 96 -5.440 7.186 -8.104 1.00 0.00 C ATOM 1039 C MET A 96 -3.959 7.528 -8.283 1.00 0.00 C ATOM 1040 O MET A 96 -3.627 8.682 -8.544 1.00 0.00 O ATOM 1041 CB MET A 96 -5.965 7.908 -6.859 1.00 0.00 C ATOM 1042 CG MET A 96 -7.489 8.009 -6.833 1.00 0.00 C ATOM 1043 SD MET A 96 -8.171 9.081 -5.530 1.00 0.00 S ATOM 1044 CE MET A 96 -6.899 9.009 -4.237 1.00 0.00 C ATOM 0 H MET A 96 -5.984 5.474 -7.042 1.00 0.00 H new ATOM 0 HA MET A 96 -5.959 7.516 -9.004 1.00 0.00 H new ATOM 0 HB2 MET A 96 -5.625 7.380 -5.968 1.00 0.00 H new ATOM 0 HB3 MET A 96 -5.538 8.910 -6.818 1.00 0.00 H new ATOM 0 HG2 MET A 96 -7.829 8.378 -7.800 1.00 0.00 H new ATOM 0 HG3 MET A 96 -7.902 7.008 -6.711 1.00 0.00 H new ATOM 0 HE1 MET A 96 -7.348 9.241 -3.271 1.00 0.00 H new ATOM 0 HE2 MET A 96 -6.468 8.008 -4.206 1.00 0.00 H new ATOM 0 HE3 MET A 96 -6.116 9.735 -4.456 1.00 0.00 H new ATOM 1054 N VAL A 97 -3.056 6.566 -8.116 1.00 0.00 N ATOM 1055 CA VAL A 97 -1.656 6.713 -8.372 1.00 0.00 C ATOM 1056 C VAL A 97 -1.312 5.654 -9.404 1.00 0.00 C ATOM 1057 O VAL A 97 -1.552 4.464 -9.189 1.00 0.00 O ATOM 1058 CB VAL A 97 -0.872 6.653 -7.048 1.00 0.00 C ATOM 1059 CG1 VAL A 97 -1.658 7.053 -5.775 1.00 0.00 C ATOM 1060 CG2 VAL A 97 0.114 5.530 -6.833 1.00 0.00 C ATOM 0 H VAL A 97 -3.305 5.634 -7.786 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.376 7.682 -8.786 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.195 7.485 -7.243 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.006 6.973 -4.905 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.009 8.080 -5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.512 6.388 -5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.578 5.636 -5.853 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.406 4.574 -6.886 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.883 5.568 -7.605 1.00 0.00 H new ATOM 1070 N GLN A 98 -0.814 6.091 -10.550 1.00 0.00 N ATOM 1071 CA GLN A 98 -0.161 5.232 -11.521 1.00 0.00 C ATOM 1072 C GLN A 98 1.268 4.933 -11.052 1.00 0.00 C ATOM 1073 O GLN A 98 1.749 5.546 -10.099 1.00 0.00 O ATOM 1074 CB GLN A 98 -0.210 5.959 -12.874 1.00 0.00 C ATOM 1075 CG GLN A 98 -0.351 4.957 -14.025 1.00 0.00 C ATOM 1076 CD GLN A 98 -0.533 5.640 -15.376 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -1.081 6.737 -15.479 1.00 0.00 O ATOM 1078 NE2 GLN A 98 -0.075 5.006 -16.437 1.00 0.00 N ATOM 0 H GLN A 98 -0.854 7.070 -10.835 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.660 4.268 -11.625 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.048 6.656 -12.888 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.697 6.549 -13.008 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.534 4.321 -14.059 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.204 4.306 -13.833 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.377 4.097 -16.333 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.172 5.424 -17.362 1.00 0.00 H new ATOM 1087 N ASP A 99 1.958 4.012 -11.722 1.00 0.00 N ATOM 1088 CA ASP A 99 3.336 3.542 -11.497 1.00 0.00 C ATOM 1089 C ASP A 99 3.556 2.766 -10.195 1.00 0.00 C ATOM 1090 O ASP A 99 4.408 1.885 -10.130 1.00 0.00 O ATOM 1091 CB ASP A 99 4.344 4.687 -11.621 1.00 0.00 C ATOM 1092 CG ASP A 99 5.782 4.178 -11.714 1.00 0.00 C ATOM 1093 OD1 ASP A 99 6.678 4.843 -11.148 1.00 0.00 O ATOM 1094 OD2 ASP A 99 6.053 3.260 -12.519 1.00 0.00 O ATOM 0 H ASP A 99 1.532 3.526 -12.512 1.00 0.00 H new ATOM 0 HA ASP A 99 3.508 2.818 -12.293 1.00 0.00 H new ATOM 0 HB2 ASP A 99 4.112 5.280 -12.506 1.00 0.00 H new ATOM 0 HB3 ASP A 99 4.249 5.348 -10.760 1.00 0.00 H new ATOM 1100 N ALA A 100 2.758 3.034 -9.162 1.00 0.00 N ATOM 1101 CA ALA A 100 2.728 2.230 -7.950 1.00 0.00 C ATOM 1102 C ALA A 100 2.187 0.820 -8.197 1.00 0.00 C ATOM 1103 O ALA A 100 1.774 0.486 -9.309 1.00 0.00 O ATOM 1104 CB ALA A 100 1.821 2.937 -6.964 1.00 0.00 C ATOM 0 H ALA A 100 2.111 3.822 -9.147 1.00 0.00 H new ATOM 0 HA ALA A 100 3.746 2.123 -7.575 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.772 2.363 -6.039 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.216 3.931 -6.754 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.821 3.026 -7.389 1.00 0.00 H new ATOM 1110 N THR A 101 2.140 0.015 -7.133 1.00 0.00 N ATOM 1111 CA THR A 101 1.506 -1.306 -7.055 1.00 0.00 C ATOM 1112 C THR A 101 1.601 -1.816 -5.605 1.00 0.00 C ATOM 1113 O THR A 101 2.494 -1.381 -4.865 1.00 0.00 O ATOM 1114 CB THR A 101 2.176 -2.330 -8.005 1.00 0.00 C ATOM 1115 OG1 THR A 101 3.478 -1.938 -8.421 1.00 0.00 O ATOM 1116 CG2 THR A 101 1.309 -2.602 -9.238 1.00 0.00 C ATOM 0 H THR A 101 2.570 0.283 -6.248 1.00 0.00 H new ATOM 0 HA THR A 101 0.466 -1.203 -7.364 1.00 0.00 H new ATOM 0 HB THR A 101 2.276 -3.245 -7.421 1.00 0.00 H new ATOM 0 HG1 THR A 101 3.851 -2.622 -9.016 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.810 -3.325 -9.882 1.00 0.00 H new ATOM 0 HG22 THR A 101 0.345 -3.002 -8.924 1.00 0.00 H new ATOM 0 HG23 THR A 101 1.155 -1.673 -9.786 1.00 0.00 H new ATOM 1124 N ALA A 102 0.706 -2.724 -5.189 1.00 0.00 N ATOM 1125 CA ALA A 102 0.767 -3.416 -3.905 1.00 0.00 C ATOM 1126 C ALA A 102 0.449 -4.910 -4.080 1.00 0.00 C ATOM 1127 O ALA A 102 -0.715 -5.323 -4.005 1.00 0.00 O ATOM 1128 CB ALA A 102 -0.162 -2.723 -2.902 1.00 0.00 C ATOM 0 H ALA A 102 -0.097 -3.000 -5.754 1.00 0.00 H new ATOM 0 HA ALA A 102 1.779 -3.362 -3.504 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.115 -3.241 -1.944 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.152 -1.688 -2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.185 -2.747 -3.277 1.00 0.00 H new ATOM 1134 N HIS A 103 1.479 -5.723 -4.321 1.00 0.00 N ATOM 1135 CA HIS A 103 1.365 -7.163 -4.549 1.00 0.00 C ATOM 1136 C HIS A 103 1.819 -7.882 -3.274 1.00 0.00 C ATOM 1137 O HIS A 103 2.841 -7.537 -2.683 1.00 0.00 O ATOM 1138 CB HIS A 103 2.136 -7.555 -5.831 1.00 0.00 C ATOM 1139 CG HIS A 103 3.334 -8.468 -5.695 1.00 0.00 C ATOM 1140 ND1 HIS A 103 4.622 -8.173 -6.086 1.00 0.00 N ATOM 1141 CD2 HIS A 103 3.344 -9.752 -5.218 1.00 0.00 C ATOM 1142 CE1 HIS A 103 5.395 -9.228 -5.788 1.00 0.00 C ATOM 1143 NE2 HIS A 103 4.657 -10.222 -5.271 1.00 0.00 N ATOM 0 H HIS A 103 2.441 -5.388 -4.364 1.00 0.00 H new ATOM 0 HA HIS A 103 0.337 -7.472 -4.736 1.00 0.00 H new ATOM 0 HB2 HIS A 103 1.430 -8.032 -6.511 1.00 0.00 H new ATOM 0 HB3 HIS A 103 2.471 -6.636 -6.312 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.486 -10.304 -4.863 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.463 -9.271 -5.943 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.990 -11.140 -4.975 1.00 0.00 H new ATOM 1152 N LEU A 104 1.043 -8.868 -2.817 1.00 0.00 N ATOM 1153 CA LEU A 104 1.382 -9.683 -1.654 1.00 0.00 C ATOM 1154 C LEU A 104 2.233 -10.863 -2.120 1.00 0.00 C ATOM 1155 O LEU A 104 1.753 -11.695 -2.889 1.00 0.00 O ATOM 1156 CB LEU A 104 0.094 -10.124 -0.926 1.00 0.00 C ATOM 1157 CG LEU A 104 0.147 -11.458 -0.151 1.00 0.00 C ATOM 1158 CD1 LEU A 104 0.465 -11.287 1.328 1.00 0.00 C ATOM 1159 CD2 LEU A 104 -1.059 -12.349 -0.491 1.00 0.00 C ATOM 0 H LEU A 104 0.155 -9.123 -3.249 1.00 0.00 H new ATOM 0 HA LEU A 104 1.965 -9.111 -0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.185 -9.337 -0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.705 -10.193 -1.664 1.00 0.00 H new ATOM 0 HG LEU A 104 1.012 -12.021 -0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.486 -12.264 1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.437 -10.807 1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.301 -10.668 1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.993 -13.281 0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.981 -11.831 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.060 -12.568 -1.559 1.00 0.00 H new ATOM 1171 N ASP A 105 3.438 -10.972 -1.573 1.00 0.00 N ATOM 1172 CA ASP A 105 4.262 -12.172 -1.521 1.00 0.00 C ATOM 1173 C ASP A 105 3.981 -12.893 -0.197 1.00 0.00 C ATOM 1174 O ASP A 105 4.529 -12.514 0.840 1.00 0.00 O ATOM 1175 CB ASP A 105 5.747 -11.770 -1.550 1.00 0.00 C ATOM 1176 CG ASP A 105 6.693 -12.966 -1.656 1.00 0.00 C ATOM 1177 OD1 ASP A 105 6.239 -14.127 -1.568 1.00 0.00 O ATOM 1178 OD2 ASP A 105 7.918 -12.740 -1.753 1.00 0.00 O ATOM 0 H ASP A 105 3.893 -10.176 -1.127 1.00 0.00 H new ATOM 0 HA ASP A 105 4.035 -12.817 -2.370 1.00 0.00 H new ATOM 0 HB2 ASP A 105 5.920 -11.103 -2.394 1.00 0.00 H new ATOM 0 HB3 ASP A 105 5.982 -11.208 -0.646 1.00 0.00 H new ATOM 1184 N VAL A 106 3.107 -13.900 -0.155 1.00 0.00 N ATOM 1185 CA VAL A 106 3.002 -14.747 1.044 1.00 0.00 C ATOM 1186 C VAL A 106 4.284 -15.566 1.277 1.00 0.00 C ATOM 1187 O VAL A 106 4.605 -15.875 2.428 1.00 0.00 O ATOM 1188 CB VAL A 106 1.712 -15.604 0.991 1.00 0.00 C ATOM 1189 CG1 VAL A 106 1.811 -17.009 1.587 1.00 0.00 C ATOM 1190 CG2 VAL A 106 0.615 -14.878 1.769 1.00 0.00 C ATOM 0 H VAL A 106 2.474 -14.149 -0.915 1.00 0.00 H new ATOM 0 HA VAL A 106 2.912 -14.106 1.921 1.00 0.00 H new ATOM 0 HB VAL A 106 1.508 -15.729 -0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.849 -17.513 1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.572 -17.578 1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.083 -16.939 2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.301 -15.468 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.930 -14.745 2.804 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.432 -13.903 1.317 1.00 0.00 H new ATOM 1200 N GLY A 107 5.052 -15.884 0.235 1.00 0.00 N ATOM 1201 CA GLY A 107 6.224 -16.740 0.343 1.00 0.00 C ATOM 1202 C GLY A 107 7.361 -16.087 1.123 1.00 0.00 C ATOM 1203 O GLY A 107 8.097 -16.801 1.806 1.00 0.00 O ATOM 0 H GLY A 107 4.874 -15.551 -0.712 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.943 -17.673 0.831 1.00 0.00 H new ATOM 0 HA3 GLY A 107 6.575 -16.996 -0.657 1.00 0.00 H new ATOM 1207 N GLN A 108 7.477 -14.758 1.098 1.00 0.00 N ATOM 1208 CA GLN A 108 8.411 -14.010 1.946 1.00 0.00 C ATOM 1209 C GLN A 108 7.696 -13.140 2.978 1.00 0.00 C ATOM 1210 O GLN A 108 8.345 -12.486 3.799 1.00 0.00 O ATOM 1211 CB GLN A 108 9.400 -13.205 1.082 1.00 0.00 C ATOM 1212 CG GLN A 108 10.772 -13.061 1.761 1.00 0.00 C ATOM 1213 CD GLN A 108 11.422 -14.427 1.951 1.00 0.00 C ATOM 1214 OE1 GLN A 108 11.530 -14.941 3.060 1.00 0.00 O ATOM 1215 NE2 GLN A 108 11.793 -15.082 0.864 1.00 0.00 N ATOM 0 H GLN A 108 6.921 -14.164 0.483 1.00 0.00 H new ATOM 0 HA GLN A 108 8.987 -14.734 2.522 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.523 -13.697 0.117 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.987 -12.216 0.885 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.419 -12.426 1.156 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.656 -12.570 2.727 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.698 -14.644 -0.052 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.174 -16.025 0.942 1.00 0.00 H new ATOM 1224 N GLN A 109 6.361 -13.162 2.979 1.00 0.00 N ATOM 1225 CA GLN A 109 5.510 -12.304 3.771 1.00 0.00 C ATOM 1226 C GLN A 109 5.876 -10.842 3.538 1.00 0.00 C ATOM 1227 O GLN A 109 6.176 -10.088 4.464 1.00 0.00 O ATOM 1228 CB GLN A 109 5.512 -12.729 5.237 1.00 0.00 C ATOM 1229 CG GLN A 109 4.878 -14.114 5.408 1.00 0.00 C ATOM 1230 CD GLN A 109 4.553 -14.411 6.865 1.00 0.00 C ATOM 1231 OE1 GLN A 109 5.320 -15.038 7.593 1.00 0.00 O ATOM 1232 NE2 GLN A 109 3.420 -13.945 7.341 1.00 0.00 N ATOM 0 H GLN A 109 5.831 -13.811 2.398 1.00 0.00 H new ATOM 0 HA GLN A 109 4.475 -12.412 3.447 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.535 -12.744 5.614 1.00 0.00 H new ATOM 0 HB3 GLN A 109 4.964 -11.998 5.832 1.00 0.00 H new ATOM 0 HG2 GLN A 109 3.967 -14.172 4.813 1.00 0.00 H new ATOM 0 HG3 GLN A 109 5.558 -14.875 5.025 1.00 0.00 H new ATOM 0 HE21 GLN A 109 2.787 -13.425 6.733 1.00 0.00 H new ATOM 0 HE22 GLN A 109 3.174 -14.103 8.318 1.00 0.00 H new ATOM 1241 N ARG A 110 5.841 -10.450 2.268 1.00 0.00 N ATOM 1242 CA ARG A 110 6.335 -9.179 1.784 1.00 0.00 C ATOM 1243 C ARG A 110 5.254 -8.527 0.960 1.00 0.00 C ATOM 1244 O ARG A 110 4.855 -9.039 -0.081 1.00 0.00 O ATOM 1245 CB ARG A 110 7.642 -9.402 1.035 1.00 0.00 C ATOM 1246 CG ARG A 110 8.371 -8.070 0.808 1.00 0.00 C ATOM 1247 CD ARG A 110 9.418 -8.187 -0.306 1.00 0.00 C ATOM 1248 NE ARG A 110 10.575 -7.319 -0.061 1.00 0.00 N ATOM 1249 CZ ARG A 110 11.043 -6.316 -0.813 1.00 0.00 C ATOM 1250 NH1 ARG A 110 10.407 -5.872 -1.890 1.00 0.00 N ATOM 1251 NH2 ARG A 110 12.184 -5.731 -0.470 1.00 0.00 N ATOM 0 H ARG A 110 5.453 -11.034 1.527 1.00 0.00 H new ATOM 0 HA ARG A 110 6.567 -8.493 2.599 1.00 0.00 H new ATOM 0 HB2 ARG A 110 8.281 -10.080 1.601 1.00 0.00 H new ATOM 0 HB3 ARG A 110 7.441 -9.880 0.076 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.647 -7.297 0.549 1.00 0.00 H new ATOM 0 HG3 ARG A 110 8.855 -7.756 1.733 1.00 0.00 H new ATOM 0 HD2 ARG A 110 9.751 -9.222 -0.385 1.00 0.00 H new ATOM 0 HD3 ARG A 110 8.963 -7.925 -1.261 1.00 0.00 H new ATOM 0 HE ARG A 110 11.092 -7.505 0.798 1.00 0.00 H new ATOM 0 HH11 ARG A 110 9.525 -6.298 -2.173 1.00 0.00 H new ATOM 0 HH12 ARG A 110 10.800 -5.104 -2.434 1.00 0.00 H new ATOM 0 HH21 ARG A 110 12.691 -6.047 0.357 1.00 0.00 H new ATOM 0 HH22 ARG A 110 12.554 -4.965 -1.033 1.00 0.00 H new ATOM 1265 N LEU A 111 4.728 -7.416 1.458 1.00 0.00 N ATOM 1266 CA LEU A 111 3.846 -6.579 0.683 1.00 0.00 C ATOM 1267 C LEU A 111 4.760 -5.714 -0.164 1.00 0.00 C ATOM 1268 O LEU A 111 5.314 -4.720 0.314 1.00 0.00 O ATOM 1269 CB LEU A 111 2.911 -5.798 1.605 1.00 0.00 C ATOM 1270 CG LEU A 111 1.548 -5.403 1.020 1.00 0.00 C ATOM 1271 CD1 LEU A 111 0.909 -6.420 0.088 1.00 0.00 C ATOM 1272 CD2 LEU A 111 0.636 -5.040 2.187 1.00 0.00 C ATOM 0 H LEU A 111 4.904 -7.078 2.404 1.00 0.00 H new ATOM 0 HA LEU A 111 3.174 -7.138 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.738 -6.394 2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.423 -4.889 1.921 1.00 0.00 H new ATOM 0 HG LEU A 111 1.709 -4.551 0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.049 -6.038 -0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.566 -6.597 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.751 -7.356 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.345 -4.753 1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.532 -5.900 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.068 -4.207 2.741 1.00 0.00 H new ATOM 1284 N ASN A 112 4.994 -6.180 -1.383 1.00 0.00 N ATOM 1285 CA ASN A 112 5.784 -5.497 -2.386 1.00 0.00 C ATOM 1286 C ASN A 112 5.028 -4.235 -2.753 1.00 0.00 C ATOM 1287 O ASN A 112 3.949 -4.303 -3.347 1.00 0.00 O ATOM 1288 CB ASN A 112 5.999 -6.405 -3.595 1.00 0.00 C ATOM 1289 CG ASN A 112 7.202 -7.303 -3.371 1.00 0.00 C ATOM 1290 OD1 ASN A 112 8.332 -6.838 -3.411 1.00 0.00 O ATOM 1291 ND2 ASN A 112 7.002 -8.564 -3.031 1.00 0.00 N ATOM 0 H ASN A 112 4.625 -7.074 -1.707 1.00 0.00 H new ATOM 0 HA ASN A 112 6.775 -5.240 -2.012 1.00 0.00 H new ATOM 0 HB2 ASN A 112 5.110 -7.012 -3.765 1.00 0.00 H new ATOM 0 HB3 ASN A 112 6.149 -5.801 -4.490 1.00 0.00 H new ATOM 0 HD21 ASN A 112 7.795 -9.161 -2.798 1.00 0.00 H new ATOM 0 HD22 ASN A 112 6.054 -8.940 -3.001 1.00 0.00 H new ATOM 1298 N LEU A 113 5.559 -3.101 -2.309 1.00 0.00 N ATOM 1299 CA LEU A 113 4.970 -1.782 -2.404 1.00 0.00 C ATOM 1300 C LEU A 113 5.943 -0.932 -3.207 1.00 0.00 C ATOM 1301 O LEU A 113 7.106 -0.790 -2.828 1.00 0.00 O ATOM 1302 CB LEU A 113 4.774 -1.210 -0.978 1.00 0.00 C ATOM 1303 CG LEU A 113 3.338 -1.098 -0.460 1.00 0.00 C ATOM 1304 CD1 LEU A 113 2.474 -0.145 -1.268 1.00 0.00 C ATOM 1305 CD2 LEU A 113 2.667 -2.450 -0.387 1.00 0.00 C ATOM 0 H LEU A 113 6.468 -3.084 -1.846 1.00 0.00 H new ATOM 0 HA LEU A 113 3.995 -1.800 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 113 5.336 -1.835 -0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 113 5.222 -0.217 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 113 3.429 -0.682 0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 113 1.470 -0.116 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.909 0.854 -1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.422 -0.488 -2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.649 -2.331 -0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.640 -2.897 -1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.227 -3.098 0.288 1.00 0.00 H new ATOM 1317 N THR A 114 5.479 -0.296 -4.272 1.00 0.00 N ATOM 1318 CA THR A 114 6.257 0.721 -4.960 1.00 0.00 C ATOM 1319 C THR A 114 5.361 1.948 -5.086 1.00 0.00 C ATOM 1320 O THR A 114 4.142 1.799 -5.187 1.00 0.00 O ATOM 1321 CB THR A 114 6.731 0.137 -6.314 1.00 0.00 C ATOM 1322 OG1 THR A 114 7.617 -0.951 -6.094 1.00 0.00 O ATOM 1323 CG2 THR A 114 7.458 1.157 -7.189 1.00 0.00 C ATOM 0 H THR A 114 4.560 -0.469 -4.680 1.00 0.00 H new ATOM 0 HA THR A 114 7.159 1.021 -4.426 1.00 0.00 H new ATOM 0 HB THR A 114 5.827 -0.180 -6.834 1.00 0.00 H new ATOM 0 HG1 THR A 114 7.910 -1.314 -6.956 1.00 0.00 H new ATOM 0 HG21 THR A 114 7.763 0.684 -8.122 1.00 0.00 H new ATOM 0 HG22 THR A 114 6.791 1.991 -7.406 1.00 0.00 H new ATOM 0 HG23 THR A 114 8.339 1.525 -6.663 1.00 0.00 H new ATOM 1331 N ILE A 115 5.938 3.151 -5.056 1.00 0.00 N ATOM 1332 CA ILE A 115 5.269 4.413 -5.356 1.00 0.00 C ATOM 1333 C ILE A 115 6.284 5.262 -6.144 1.00 0.00 C ATOM 1334 O ILE A 115 7.440 5.301 -5.723 1.00 0.00 O ATOM 1335 CB ILE A 115 4.790 5.112 -4.052 1.00 0.00 C ATOM 1336 CG1 ILE A 115 3.547 4.400 -3.463 1.00 0.00 C ATOM 1337 CG2 ILE A 115 4.459 6.599 -4.278 1.00 0.00 C ATOM 1338 CD1 ILE A 115 3.020 5.034 -2.170 1.00 0.00 C ATOM 0 H ILE A 115 6.921 3.275 -4.813 1.00 0.00 H new ATOM 0 HA ILE A 115 4.367 4.261 -5.949 1.00 0.00 H new ATOM 0 HB ILE A 115 5.618 5.046 -3.346 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.751 4.404 -4.208 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.796 3.357 -3.269 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.129 7.045 -3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 115 5.348 7.120 -4.634 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.665 6.686 -5.020 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.150 4.479 -1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.798 5.006 -1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 115 2.737 6.069 -2.361 1.00 0.00 H new ATOM 1350 N PRO A 116 5.853 6.002 -7.191 1.00 0.00 N ATOM 1351 CA PRO A 116 6.690 6.771 -8.128 1.00 0.00 C ATOM 1352 C PRO A 116 7.643 7.847 -7.590 1.00 0.00 C ATOM 1353 O PRO A 116 8.128 8.662 -8.376 1.00 0.00 O ATOM 1354 CB PRO A 116 5.711 7.416 -9.135 1.00 0.00 C ATOM 1355 CG PRO A 116 4.322 7.150 -8.593 1.00 0.00 C ATOM 1356 CD PRO A 116 4.505 5.912 -7.741 1.00 0.00 C ATOM 0 HA PRO A 116 7.395 6.047 -8.535 1.00 0.00 H new ATOM 0 HB2 PRO A 116 5.895 8.486 -9.228 1.00 0.00 H new ATOM 0 HB3 PRO A 116 5.832 6.984 -10.128 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.953 7.991 -8.005 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.604 6.982 -9.395 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.760 5.871 -6.946 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.385 5.007 -8.336 1.00 0.00 H new ATOM 1364 N GLN A 117 7.889 7.933 -6.284 1.00 0.00 N ATOM 1365 CA GLN A 117 8.645 8.900 -5.539 1.00 0.00 C ATOM 1366 C GLN A 117 8.025 10.290 -5.565 1.00 0.00 C ATOM 1367 O GLN A 117 8.144 11.012 -4.581 1.00 0.00 O ATOM 1368 CB GLN A 117 10.091 8.908 -5.996 1.00 0.00 C ATOM 1369 CG GLN A 117 10.839 7.565 -5.992 1.00 0.00 C ATOM 1370 CD GLN A 117 11.619 7.364 -4.697 1.00 0.00 C ATOM 1371 OE1 GLN A 117 12.645 8.006 -4.494 1.00 0.00 O ATOM 1372 NE2 GLN A 117 11.152 6.512 -3.801 1.00 0.00 N ATOM 0 H GLN A 117 7.506 7.227 -5.656 1.00 0.00 H new ATOM 0 HA GLN A 117 8.620 8.594 -4.493 1.00 0.00 H new ATOM 0 HB2 GLN A 117 10.122 9.309 -7.009 1.00 0.00 H new ATOM 0 HB3 GLN A 117 10.641 9.603 -5.362 1.00 0.00 H new ATOM 0 HG2 GLN A 117 10.126 6.750 -6.119 1.00 0.00 H new ATOM 0 HG3 GLN A 117 11.523 7.526 -6.840 1.00 0.00 H new ATOM 0 HE21 GLN A 117 10.297 5.989 -3.991 1.00 0.00 H new ATOM 0 HE22 GLN A 117 11.646 6.377 -2.919 1.00 0.00 H new ATOM 1381 N ALA A 118 7.301 10.656 -6.623 1.00 0.00 N ATOM 1382 CA ALA A 118 6.664 11.948 -6.701 1.00 0.00 C ATOM 1383 C ALA A 118 5.660 12.120 -5.562 1.00 0.00 C ATOM 1384 O ALA A 118 5.708 13.120 -4.837 1.00 0.00 O ATOM 1385 CB ALA A 118 6.024 12.145 -8.067 1.00 0.00 C ATOM 0 H ALA A 118 7.147 10.063 -7.438 1.00 0.00 H new ATOM 0 HA ALA A 118 7.420 12.725 -6.584 1.00 0.00 H new ATOM 0 HB1 ALA A 118 5.548 13.125 -8.108 1.00 0.00 H new ATOM 0 HB2 ALA A 118 6.790 12.081 -8.840 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.275 11.371 -8.233 1.00 0.00 H new ATOM 1391 N PHE A 119 4.827 11.093 -5.351 1.00 0.00 N ATOM 1392 CA PHE A 119 3.801 11.039 -4.316 1.00 0.00 C ATOM 1393 C PHE A 119 4.433 10.679 -2.956 1.00 0.00 C ATOM 1394 O PHE A 119 3.806 10.002 -2.143 1.00 0.00 O ATOM 1395 CB PHE A 119 2.777 9.935 -4.678 1.00 0.00 C ATOM 1396 CG PHE A 119 1.969 10.016 -5.963 1.00 0.00 C ATOM 1397 CD1 PHE A 119 2.583 10.042 -7.224 1.00 0.00 C ATOM 1398 CD2 PHE A 119 0.568 9.900 -5.906 1.00 0.00 C ATOM 1399 CE1 PHE A 119 1.808 10.018 -8.387 1.00 0.00 C ATOM 1400 CE2 PHE A 119 -0.199 9.829 -7.084 1.00 0.00 C ATOM 1401 CZ PHE A 119 0.425 9.844 -8.334 1.00 0.00 C ATOM 0 H PHE A 119 4.855 10.248 -5.921 1.00 0.00 H new ATOM 0 HA PHE A 119 3.317 12.013 -4.250 1.00 0.00 H new ATOM 0 HB2 PHE A 119 3.319 8.990 -4.699 1.00 0.00 H new ATOM 0 HB3 PHE A 119 2.065 9.876 -3.855 1.00 0.00 H new ATOM 0 HD1 PHE A 119 3.660 10.081 -7.297 1.00 0.00 H new ATOM 0 HD2 PHE A 119 0.075 9.865 -4.946 1.00 0.00 H new ATOM 0 HE1 PHE A 119 2.290 10.137 -9.346 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -1.275 9.763 -7.021 1.00 0.00 H new ATOM 0 HZ PHE A 119 -0.151 9.723 -9.240 1.00 0.00 H new ATOM 1411 N MET A 120 5.629 11.176 -2.641 1.00 0.00 N ATOM 1412 CA MET A 120 6.335 10.912 -1.391 1.00 0.00 C ATOM 1413 C MET A 120 6.673 12.281 -0.824 1.00 0.00 C ATOM 1414 O MET A 120 7.346 13.085 -1.467 1.00 0.00 O ATOM 1415 CB MET A 120 7.564 10.003 -1.601 1.00 0.00 C ATOM 1416 CG MET A 120 7.201 8.630 -2.184 1.00 0.00 C ATOM 1417 SD MET A 120 6.010 7.636 -1.238 1.00 0.00 S ATOM 1418 CE MET A 120 6.815 7.540 0.380 1.00 0.00 C ATOM 0 H MET A 120 6.147 11.791 -3.268 1.00 0.00 H new ATOM 0 HA MET A 120 5.724 10.350 -0.684 1.00 0.00 H new ATOM 0 HB2 MET A 120 8.267 10.501 -2.268 1.00 0.00 H new ATOM 0 HB3 MET A 120 8.073 9.864 -0.647 1.00 0.00 H new ATOM 0 HG2 MET A 120 6.800 8.780 -3.186 1.00 0.00 H new ATOM 0 HG3 MET A 120 8.119 8.052 -2.291 1.00 0.00 H new ATOM 0 HE1 MET A 120 6.240 6.885 1.034 1.00 0.00 H new ATOM 0 HE2 MET A 120 7.822 7.141 0.262 1.00 0.00 H new ATOM 0 HE3 MET A 120 6.869 8.536 0.819 1.00 0.00 H new ATOM 1428 N SER A 121 6.098 12.594 0.336 1.00 0.00 N ATOM 1429 CA SER A 121 6.322 13.837 1.041 1.00 0.00 C ATOM 1430 C SER A 121 7.740 13.747 1.582 1.00 0.00 C ATOM 1431 O SER A 121 7.983 13.031 2.547 1.00 0.00 O ATOM 1432 CB SER A 121 5.254 14.005 2.139 1.00 0.00 C ATOM 1433 OG SER A 121 5.492 15.106 3.000 1.00 0.00 O ATOM 0 H SER A 121 5.450 11.970 0.816 1.00 0.00 H new ATOM 0 HA SER A 121 6.230 14.719 0.408 1.00 0.00 H new ATOM 0 HB2 SER A 121 4.278 14.127 1.669 1.00 0.00 H new ATOM 0 HB3 SER A 121 5.210 13.093 2.734 1.00 0.00 H new ATOM 0 HG SER A 121 4.779 15.157 3.671 1.00 0.00 H new