USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 768 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 SER OG : rot 108:sc= 0.31 USER MOD Set 1.2: A 104 THR OG1 : rot 180:sc= 0.937 USER MOD Set 2.1: A 75 ASN : amide:sc= -0.0845 K(o=2.1,f=-3.2!) USER MOD Set 2.2: A 77 LYS NZ :NH3+ -140:sc= 2.19 (180deg=1.86) USER MOD Set 3.1: A 20 GLN : amide:sc= 0.918 K(o=1,f=-0.19) USER MOD Set 3.2: A 53 SER OG : rot -156:sc= 0.0879 USER MOD Set 4.1: A 11 GLN : amide:sc= 0.247 K(o=0.82,f=-5.3!) USER MOD Set 4.2: A 14 LYS NZ :NH3+ -138:sc= 0.577 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.0118 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.5 K(o=-0.5,f=-1.5) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0.34) USER MOD Single : A 5 LYS NZ :NH3+ 159:sc= 0.352 (180deg=0.0647) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.845 X(o=-0.85,f=-1.3) USER MOD Single : A 28 SER OG : rot 170:sc= -0.391 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0.0455 K(o=0.046,f=-1.1) USER MOD Single : A 37 ASN : amide:sc= -0.235 K(o=-0.23,f=-2.4!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 46:sc= 0.495 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -177:sc= 0.117 (180deg=0.112) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -170:sc= 0.836 (180deg=0.792) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 150:sc= 0 USER MOD Single : A 57 MET CE :methyl -166:sc= -0.412 (180deg=-0.452) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 98:sc= 1.29 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 150:sc= -0.0069 USER MOD Single : A 85 LYS NZ :NH3+ 147:sc= 0.66 (180deg=0.0611) USER MOD Single : A 87 SER OG : rot -37:sc= 0.071 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 168:sc= -0.0133 (180deg=-0.174) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc=-0.000402 X(o=-0.0004,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc=-0.000253 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.908 -16.093 12.688 1.00 0.00 N ATOM 2 CA MET A 1 7.853 -16.470 11.273 1.00 0.00 C ATOM 3 C MET A 1 7.060 -15.391 10.560 1.00 0.00 C ATOM 4 O MET A 1 5.930 -15.130 10.968 1.00 0.00 O ATOM 5 CB MET A 1 7.198 -17.852 11.147 1.00 0.00 C ATOM 6 CG MET A 1 7.152 -18.365 9.709 1.00 0.00 C ATOM 7 SD MET A 1 6.302 -19.962 9.571 1.00 0.00 S ATOM 8 CE MET A 1 6.726 -20.394 7.871 1.00 0.00 C ATOM 0 H1 MET A 1 7.774 -16.939 13.278 1.00 0.00 H new ATOM 0 H2 MET A 1 8.833 -15.667 12.898 1.00 0.00 H new ATOM 0 H3 MET A 1 7.156 -15.405 12.893 1.00 0.00 H new ATOM 0 HA MET A 1 8.843 -16.544 10.824 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.746 -18.565 11.763 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.183 -17.804 11.542 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.646 -17.632 9.081 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.169 -18.464 9.329 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.281 -21.356 7.618 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.344 -19.629 7.195 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.810 -20.458 7.771 1.00 0.00 H new ATOM 16 N ASN A 2 7.629 -14.711 9.561 1.00 0.00 N ATOM 17 CA ASN A 2 6.867 -13.688 8.844 1.00 0.00 C ATOM 18 C ASN A 2 5.738 -14.329 8.032 1.00 0.00 C ATOM 19 O ASN A 2 5.806 -15.511 7.679 1.00 0.00 O ATOM 20 CB ASN A 2 7.770 -12.840 7.937 1.00 0.00 C ATOM 21 CG ASN A 2 6.984 -11.671 7.352 1.00 0.00 C ATOM 22 OD1 ASN A 2 6.793 -11.564 6.146 1.00 0.00 O ATOM 23 ND2 ASN A 2 6.435 -10.838 8.219 1.00 0.00 N ATOM 0 H ASN A 2 8.587 -14.845 9.238 1.00 0.00 H new ATOM 0 HA ASN A 2 6.429 -13.022 9.587 1.00 0.00 H new ATOM 0 HB2 ASN A 2 8.621 -12.466 8.506 1.00 0.00 H new ATOM 0 HB3 ASN A 2 8.171 -13.457 7.132 1.00 0.00 H new ATOM 0 HD21 ASN A 2 5.835 -10.082 7.890 1.00 0.00 H new ATOM 0 HD22 ASN A 2 6.612 -10.951 9.217 1.00 0.00 H new ATOM 29 N ASN A 3 4.696 -13.558 7.737 1.00 0.00 N ATOM 30 CA ASN A 3 3.554 -13.946 6.928 1.00 0.00 C ATOM 31 C ASN A 3 3.113 -12.710 6.157 1.00 0.00 C ATOM 32 O ASN A 3 2.248 -11.948 6.600 1.00 0.00 O ATOM 33 CB ASN A 3 2.423 -14.588 7.759 1.00 0.00 C ATOM 34 CG ASN A 3 2.216 -14.028 9.167 1.00 0.00 C ATOM 35 OD1 ASN A 3 2.230 -12.824 9.403 1.00 0.00 O ATOM 36 ND2 ASN A 3 1.965 -14.890 10.140 1.00 0.00 N ATOM 0 H ASN A 3 4.625 -12.598 8.075 1.00 0.00 H new ATOM 0 HA ASN A 3 3.835 -14.734 6.229 1.00 0.00 H new ATOM 0 HB2 ASN A 3 1.489 -14.480 7.207 1.00 0.00 H new ATOM 0 HB3 ASN A 3 2.623 -15.656 7.842 1.00 0.00 H new ATOM 0 HD21 ASN A 3 1.783 -14.553 11.085 1.00 0.00 H new ATOM 0 HD22 ASN A 3 1.953 -15.891 9.944 1.00 0.00 H new ATOM 42 N LEU A 4 3.751 -12.489 5.003 1.00 0.00 N ATOM 43 CA LEU A 4 3.363 -11.436 4.079 1.00 0.00 C ATOM 44 C LEU A 4 1.925 -11.684 3.649 1.00 0.00 C ATOM 45 O LEU A 4 1.613 -12.708 3.039 1.00 0.00 O ATOM 46 CB LEU A 4 4.304 -11.353 2.870 1.00 0.00 C ATOM 47 CG LEU A 4 3.806 -10.398 1.753 1.00 0.00 C ATOM 48 CD1 LEU A 4 4.701 -9.168 1.601 1.00 0.00 C ATOM 49 CD2 LEU A 4 3.716 -11.147 0.422 1.00 0.00 C ATOM 0 H LEU A 4 4.551 -13.039 4.690 1.00 0.00 H new ATOM 0 HA LEU A 4 3.438 -10.472 4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.286 -11.021 3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.431 -12.351 2.451 1.00 0.00 H new ATOM 0 HG LEU A 4 2.816 -10.047 2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.311 -8.530 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.717 -8.612 2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.713 -9.484 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.366 -10.468 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 4 4.700 -11.530 0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 4 3.018 -11.978 0.519 1.00 0.00 H new ATOM 60 N LYS A 5 1.067 -10.735 3.996 1.00 0.00 N ATOM 61 CA LYS A 5 -0.341 -10.640 3.653 1.00 0.00 C ATOM 62 C LYS A 5 -0.815 -9.282 4.125 1.00 0.00 C ATOM 63 O LYS A 5 -0.033 -8.485 4.655 1.00 0.00 O ATOM 64 CB LYS A 5 -1.137 -11.787 4.315 1.00 0.00 C ATOM 65 CG LYS A 5 -1.543 -12.829 3.261 1.00 0.00 C ATOM 66 CD LYS A 5 -1.201 -14.255 3.695 1.00 0.00 C ATOM 67 CE LYS A 5 -1.484 -15.292 2.602 1.00 0.00 C ATOM 68 NZ LYS A 5 -0.861 -14.996 1.294 1.00 0.00 N ATOM 0 H LYS A 5 1.365 -9.948 4.572 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.496 -10.738 2.579 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.533 -12.259 5.090 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.026 -11.388 4.803 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.614 -12.755 3.074 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.039 -12.607 2.320 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.148 -14.303 3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.776 -14.507 4.586 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.133 -16.266 2.944 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.563 -15.371 2.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.791 -15.871 0.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.444 -14.304 0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.091 -14.604 1.443 1.00 0.00 H new ATOM 78 N LEU A 6 -2.090 -8.994 3.901 1.00 0.00 N ATOM 79 CA LEU A 6 -2.710 -7.793 4.391 1.00 0.00 C ATOM 80 C LEU A 6 -3.825 -8.212 5.334 1.00 0.00 C ATOM 81 O LEU A 6 -4.632 -9.084 5.010 1.00 0.00 O ATOM 82 CB LEU A 6 -3.150 -6.836 3.285 1.00 0.00 C ATOM 83 CG LEU A 6 -2.809 -7.111 1.812 1.00 0.00 C ATOM 84 CD1 LEU A 6 -3.235 -5.913 0.980 1.00 0.00 C ATOM 85 CD2 LEU A 6 -1.351 -7.456 1.445 1.00 0.00 C ATOM 0 H LEU A 6 -2.718 -9.597 3.370 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.981 -7.195 4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.235 -6.752 3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.739 -5.857 3.529 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.356 -8.029 1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.998 -6.095 -0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.309 -5.758 1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.704 -5.025 1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.276 -7.622 0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.699 -6.631 1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.047 -8.359 1.974 1.00 0.00 H new ATOM 96 N ASP A 7 -3.803 -7.591 6.507 1.00 0.00 N ATOM 97 CA ASP A 7 -4.532 -7.937 7.720 1.00 0.00 C ATOM 98 C ASP A 7 -5.977 -7.477 7.582 1.00 0.00 C ATOM 99 O ASP A 7 -6.906 -8.228 7.873 1.00 0.00 O ATOM 100 CB ASP A 7 -3.878 -7.215 8.916 1.00 0.00 C ATOM 101 CG ASP A 7 -3.325 -8.170 9.974 1.00 0.00 C ATOM 102 OD1 ASP A 7 -2.269 -8.793 9.749 1.00 0.00 O ATOM 103 OD2 ASP A 7 -3.885 -8.229 11.097 1.00 0.00 O ATOM 0 H ASP A 7 -3.225 -6.762 6.645 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.506 -9.015 7.878 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.069 -6.582 8.551 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.613 -6.557 9.380 1.00 0.00 H new ATOM 107 N ILE A 8 -6.110 -6.249 7.065 1.00 0.00 N ATOM 108 CA ILE A 8 -7.310 -5.567 6.607 1.00 0.00 C ATOM 109 C ILE A 8 -8.354 -5.375 7.717 1.00 0.00 C ATOM 110 O ILE A 8 -8.884 -6.317 8.306 1.00 0.00 O ATOM 111 CB ILE A 8 -7.831 -6.245 5.330 1.00 0.00 C ATOM 112 CG1 ILE A 8 -6.858 -6.056 4.151 1.00 0.00 C ATOM 113 CG2 ILE A 8 -9.183 -5.654 4.897 1.00 0.00 C ATOM 114 CD1 ILE A 8 -7.096 -7.114 3.079 1.00 0.00 C ATOM 0 H ILE A 8 -5.290 -5.654 6.949 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.057 -4.542 6.337 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.933 -7.303 5.571 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.987 -5.062 3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.830 -6.118 4.508 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.525 -6.154 3.991 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.915 -5.801 5.691 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.068 -4.588 4.702 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.398 -6.961 2.256 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.943 -8.105 3.506 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.118 -7.033 2.708 1.00 0.00 H new ATOM 125 N VAL A 9 -8.671 -4.102 7.939 1.00 0.00 N ATOM 126 CA VAL A 9 -9.544 -3.561 8.970 1.00 0.00 C ATOM 127 C VAL A 9 -10.470 -2.546 8.312 1.00 0.00 C ATOM 128 O VAL A 9 -10.122 -1.386 8.133 1.00 0.00 O ATOM 129 CB VAL A 9 -8.715 -3.028 10.168 1.00 0.00 C ATOM 130 CG1 VAL A 9 -9.616 -2.480 11.286 1.00 0.00 C ATOM 131 CG2 VAL A 9 -7.792 -4.100 10.776 1.00 0.00 C ATOM 0 H VAL A 9 -8.289 -3.362 7.350 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.178 -4.329 9.413 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.103 -2.225 9.757 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.997 -2.117 12.107 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.221 -1.661 10.897 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.270 -3.273 11.648 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.236 -3.671 11.610 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.392 -4.937 11.132 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.093 -4.451 10.017 1.00 0.00 H new ATOM 141 N GLU A 10 -11.632 -3.001 7.848 1.00 0.00 N ATOM 142 CA GLU A 10 -12.633 -2.100 7.293 1.00 0.00 C ATOM 143 C GLU A 10 -13.119 -1.161 8.396 1.00 0.00 C ATOM 144 O GLU A 10 -13.607 -1.610 9.432 1.00 0.00 O ATOM 145 CB GLU A 10 -13.778 -2.883 6.643 1.00 0.00 C ATOM 146 CG GLU A 10 -13.465 -3.209 5.172 1.00 0.00 C ATOM 147 CD GLU A 10 -14.701 -3.609 4.359 1.00 0.00 C ATOM 148 OE1 GLU A 10 -15.731 -4.023 4.945 1.00 0.00 O ATOM 149 OE2 GLU A 10 -14.659 -3.467 3.116 1.00 0.00 O ATOM 0 H GLU A 10 -11.901 -3.985 7.846 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.191 -1.498 6.500 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.949 -3.807 7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.698 -2.302 6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.999 -2.340 4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.737 -4.019 5.134 1.00 0.00 H new ATOM 154 N GLN A 11 -12.935 0.143 8.186 1.00 0.00 N ATOM 155 CA GLN A 11 -13.382 1.188 9.081 1.00 0.00 C ATOM 156 C GLN A 11 -14.758 1.707 8.633 1.00 0.00 C ATOM 157 O GLN A 11 -15.582 0.944 8.124 1.00 0.00 O ATOM 158 CB GLN A 11 -12.333 2.295 9.220 1.00 0.00 C ATOM 159 CG GLN A 11 -12.397 2.960 10.615 1.00 0.00 C ATOM 160 CD GLN A 11 -12.387 4.491 10.584 1.00 0.00 C ATOM 161 OE1 GLN A 11 -12.780 5.114 9.603 1.00 0.00 O ATOM 162 NE2 GLN A 11 -11.992 5.134 11.663 1.00 0.00 N ATOM 0 H GLN A 11 -12.455 0.502 7.361 1.00 0.00 H new ATOM 0 HA GLN A 11 -13.503 0.775 10.082 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.339 1.879 9.059 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.492 3.048 8.448 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.301 2.624 11.123 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -11.550 2.615 11.208 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -11.666 4.613 12.477 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -12.012 6.154 11.685 1.00 0.00 H new ATOM 169 N ASP A 12 -15.023 2.993 8.867 1.00 0.00 N ATOM 170 CA ASP A 12 -16.344 3.616 8.736 1.00 0.00 C ATOM 171 C ASP A 12 -16.668 3.855 7.262 1.00 0.00 C ATOM 172 O ASP A 12 -17.747 3.511 6.783 1.00 0.00 O ATOM 173 CB ASP A 12 -16.313 4.956 9.470 1.00 0.00 C ATOM 174 CG ASP A 12 -17.676 5.593 9.763 1.00 0.00 C ATOM 175 OD1 ASP A 12 -18.740 5.024 9.436 1.00 0.00 O ATOM 176 OD2 ASP A 12 -17.672 6.723 10.307 1.00 0.00 O ATOM 0 H ASP A 12 -14.302 3.652 9.162 1.00 0.00 H new ATOM 0 HA ASP A 12 -17.106 2.962 9.160 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -15.788 4.818 10.415 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -15.726 5.658 8.879 1.00 0.00 H new ATOM 180 N ASP A 13 -15.706 4.426 6.526 1.00 0.00 N ATOM 181 CA ASP A 13 -15.788 4.576 5.065 1.00 0.00 C ATOM 182 C ASP A 13 -14.433 4.361 4.378 1.00 0.00 C ATOM 183 O ASP A 13 -14.308 4.400 3.147 1.00 0.00 O ATOM 184 CB ASP A 13 -16.393 5.923 4.656 1.00 0.00 C ATOM 185 CG ASP A 13 -16.723 5.978 3.161 1.00 0.00 C ATOM 186 OD1 ASP A 13 -17.609 5.214 2.710 1.00 0.00 O ATOM 187 OD2 ASP A 13 -16.125 6.825 2.448 1.00 0.00 O ATOM 0 H ASP A 13 -14.845 4.799 6.927 1.00 0.00 H new ATOM 0 HA ASP A 13 -16.460 3.789 4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -17.300 6.103 5.234 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.695 6.723 4.902 1.00 0.00 H new ATOM 191 N LYS A 14 -13.403 4.075 5.177 1.00 0.00 N ATOM 192 CA LYS A 14 -12.064 3.766 4.723 1.00 0.00 C ATOM 193 C LYS A 14 -11.822 2.296 4.993 1.00 0.00 C ATOM 194 O LYS A 14 -12.221 1.768 6.028 1.00 0.00 O ATOM 195 CB LYS A 14 -11.046 4.686 5.416 1.00 0.00 C ATOM 196 CG LYS A 14 -10.945 4.472 6.928 1.00 0.00 C ATOM 197 CD LYS A 14 -9.876 5.286 7.645 1.00 0.00 C ATOM 198 CE LYS A 14 -10.107 6.783 7.486 1.00 0.00 C ATOM 199 NZ LYS A 14 -11.097 7.335 8.432 1.00 0.00 N ATOM 0 H LYS A 14 -13.492 4.054 6.193 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.947 3.946 3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.064 4.526 4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.319 5.724 5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.912 4.705 7.374 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.755 3.415 7.114 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.872 5.029 8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.894 5.025 7.250 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.159 7.304 7.621 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.439 6.984 6.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.715 8.007 7.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.671 6.562 8.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.603 7.825 9.205 1.00 0.00 H new ATOM 209 N ALA A 15 -11.196 1.624 4.050 1.00 0.00 N ATOM 210 CA ALA A 15 -10.661 0.299 4.237 1.00 0.00 C ATOM 211 C ALA A 15 -9.273 0.516 4.825 1.00 0.00 C ATOM 212 O ALA A 15 -8.408 1.026 4.106 1.00 0.00 O ATOM 213 CB ALA A 15 -10.610 -0.430 2.890 1.00 0.00 C ATOM 0 H ALA A 15 -11.043 1.995 3.112 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.268 -0.322 4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.205 -1.432 3.034 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.616 -0.501 2.476 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.973 0.124 2.201 1.00 0.00 H new ATOM 219 N ILE A 16 -9.033 0.214 6.108 1.00 0.00 N ATOM 220 CA ILE A 16 -7.641 0.214 6.556 1.00 0.00 C ATOM 221 C ILE A 16 -7.067 -1.106 6.043 1.00 0.00 C ATOM 222 O ILE A 16 -7.663 -2.168 6.238 1.00 0.00 O ATOM 223 CB ILE A 16 -7.525 0.414 8.081 1.00 0.00 C ATOM 224 CG1 ILE A 16 -8.217 1.733 8.503 1.00 0.00 C ATOM 225 CG2 ILE A 16 -6.051 0.403 8.512 1.00 0.00 C ATOM 226 CD1 ILE A 16 -8.561 1.767 9.993 1.00 0.00 C ATOM 0 H ILE A 16 -9.735 -0.019 6.811 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.069 1.053 6.160 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.030 -0.411 8.583 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.565 2.573 8.265 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.129 1.863 7.920 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -5.986 0.545 9.591 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.601 -0.553 8.244 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.518 1.209 8.007 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.044 2.714 10.233 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.237 0.945 10.229 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.648 1.666 10.580 1.00 0.00 H new ATOM 237 N VAL A 17 -5.927 -1.073 5.368 1.00 0.00 N ATOM 238 CA VAL A 17 -5.248 -2.256 4.860 1.00 0.00 C ATOM 239 C VAL A 17 -3.909 -2.299 5.581 1.00 0.00 C ATOM 240 O VAL A 17 -2.898 -1.813 5.082 1.00 0.00 O ATOM 241 CB VAL A 17 -5.167 -2.188 3.320 1.00 0.00 C ATOM 242 CG1 VAL A 17 -4.498 -3.439 2.727 1.00 0.00 C ATOM 243 CG2 VAL A 17 -6.564 -2.058 2.690 1.00 0.00 C ATOM 0 H VAL A 17 -5.438 -0.204 5.154 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.774 -3.190 5.057 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.568 -1.307 3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.461 -3.352 1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.485 -3.530 3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.074 -4.323 3.000 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.471 -2.013 1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.170 -2.921 2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.043 -1.148 3.051 1.00 0.00 H new ATOM 253 N ARG A 18 -3.893 -2.850 6.798 1.00 0.00 N ATOM 254 CA ARG A 18 -2.595 -3.055 7.438 1.00 0.00 C ATOM 255 C ARG A 18 -1.870 -4.100 6.612 1.00 0.00 C ATOM 256 O ARG A 18 -2.479 -5.119 6.275 1.00 0.00 O ATOM 257 CB ARG A 18 -2.634 -3.415 8.932 1.00 0.00 C ATOM 258 CG ARG A 18 -3.589 -2.503 9.724 1.00 0.00 C ATOM 259 CD ARG A 18 -3.427 -2.592 11.247 1.00 0.00 C ATOM 260 NE ARG A 18 -2.515 -1.556 11.768 1.00 0.00 N ATOM 261 CZ ARG A 18 -2.430 -1.097 13.023 1.00 0.00 C ATOM 262 NH1 ARG A 18 -3.024 -1.734 14.025 1.00 0.00 N ATOM 263 NH2 ARG A 18 -1.745 0.014 13.274 1.00 0.00 N ATOM 0 H ARG A 18 -4.710 -3.146 7.332 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.065 -2.102 7.451 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.947 -4.453 9.046 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.630 -3.337 9.349 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.429 -1.471 9.413 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.616 -2.759 9.464 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.403 -2.488 11.722 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.046 -3.578 11.514 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.874 -1.140 11.093 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.555 -2.586 13.844 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.950 -1.371 14.975 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.287 0.514 12.512 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.678 0.367 14.229 1.00 0.00 H new ATOM 274 N VAL A 19 -0.625 -3.846 6.240 1.00 0.00 N ATOM 275 CA VAL A 19 0.157 -4.734 5.399 1.00 0.00 C ATOM 276 C VAL A 19 1.242 -5.320 6.283 1.00 0.00 C ATOM 277 O VAL A 19 1.710 -4.665 7.215 1.00 0.00 O ATOM 278 CB VAL A 19 0.648 -3.931 4.175 1.00 0.00 C ATOM 279 CG1 VAL A 19 1.922 -4.449 3.495 1.00 0.00 C ATOM 280 CG2 VAL A 19 -0.465 -3.961 3.126 1.00 0.00 C ATOM 0 H VAL A 19 -0.123 -3.003 6.519 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.400 -5.574 4.983 1.00 0.00 H new ATOM 0 HB VAL A 19 0.891 -2.939 4.555 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.170 -3.807 2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.745 -4.442 4.210 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.758 -5.467 3.141 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.150 -3.401 2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.672 -4.994 2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.367 -3.510 3.539 1.00 0.00 H new ATOM 290 N GLN A 20 1.620 -6.562 5.999 1.00 0.00 N ATOM 291 CA GLN A 20 2.616 -7.314 6.734 1.00 0.00 C ATOM 292 C GLN A 20 3.617 -7.862 5.722 1.00 0.00 C ATOM 293 O GLN A 20 3.211 -8.214 4.613 1.00 0.00 O ATOM 294 CB GLN A 20 1.936 -8.435 7.530 1.00 0.00 C ATOM 295 CG GLN A 20 1.023 -7.820 8.606 1.00 0.00 C ATOM 296 CD GLN A 20 1.404 -8.193 10.026 1.00 0.00 C ATOM 297 OE1 GLN A 20 2.544 -8.006 10.454 1.00 0.00 O ATOM 298 NE2 GLN A 20 0.440 -8.634 10.805 1.00 0.00 N ATOM 0 H GLN A 20 1.223 -7.087 5.220 1.00 0.00 H new ATOM 0 HA GLN A 20 3.140 -6.684 7.453 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.353 -9.068 6.861 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.688 -9.072 7.996 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.044 -6.735 8.508 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.003 -8.137 8.421 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.495 -8.780 10.426 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.628 -8.829 11.788 1.00 0.00 H new ATOM 305 N GLY A 21 4.898 -7.909 6.088 1.00 0.00 N ATOM 306 CA GLY A 21 5.978 -8.438 5.274 1.00 0.00 C ATOM 307 C GLY A 21 6.727 -7.306 4.582 1.00 0.00 C ATOM 308 O GLY A 21 6.147 -6.296 4.180 1.00 0.00 O ATOM 0 H GLY A 21 5.217 -7.566 6.994 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.666 -9.009 5.898 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.577 -9.126 4.529 1.00 0.00 H new ATOM 312 N ASP A 22 8.036 -7.473 4.457 1.00 0.00 N ATOM 313 CA ASP A 22 8.900 -6.793 3.510 1.00 0.00 C ATOM 314 C ASP A 22 8.456 -7.132 2.087 1.00 0.00 C ATOM 315 O ASP A 22 7.882 -8.190 1.816 1.00 0.00 O ATOM 316 CB ASP A 22 10.379 -7.118 3.787 1.00 0.00 C ATOM 317 CG ASP A 22 10.772 -8.594 3.970 1.00 0.00 C ATOM 318 OD1 ASP A 22 9.973 -9.408 4.492 1.00 0.00 O ATOM 319 OD2 ASP A 22 11.968 -8.922 3.800 1.00 0.00 O ATOM 0 H ASP A 22 8.550 -8.125 5.049 1.00 0.00 H new ATOM 0 HA ASP A 22 8.810 -5.713 3.628 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.969 -6.715 2.964 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.676 -6.579 4.687 1.00 0.00 H new ATOM 323 N ILE A 23 8.644 -6.175 1.182 1.00 0.00 N ATOM 324 CA ILE A 23 8.070 -6.187 -0.144 1.00 0.00 C ATOM 325 C ILE A 23 9.205 -6.432 -1.136 1.00 0.00 C ATOM 326 O ILE A 23 10.185 -5.687 -1.173 1.00 0.00 O ATOM 327 CB ILE A 23 7.270 -4.876 -0.350 1.00 0.00 C ATOM 328 CG1 ILE A 23 6.527 -4.867 -1.691 1.00 0.00 C ATOM 329 CG2 ILE A 23 8.088 -3.583 -0.319 1.00 0.00 C ATOM 330 CD1 ILE A 23 5.263 -5.726 -1.599 1.00 0.00 C ATOM 0 H ILE A 23 9.217 -5.351 1.364 1.00 0.00 H new ATOM 0 HA ILE A 23 7.349 -6.989 -0.300 1.00 0.00 H new ATOM 0 HB ILE A 23 6.597 -4.882 0.507 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.262 -3.845 -1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.178 -5.247 -2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.427 -2.730 -0.474 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.582 -3.488 0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.838 -3.608 -1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.743 -5.712 -2.557 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.537 -6.751 -1.349 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.607 -5.327 -0.825 1.00 0.00 H new ATOM 341 N ASP A 24 9.058 -7.423 -2.011 1.00 0.00 N ATOM 342 CA ASP A 24 10.086 -7.849 -2.957 1.00 0.00 C ATOM 343 C ASP A 24 9.466 -8.367 -4.260 1.00 0.00 C ATOM 344 O ASP A 24 8.254 -8.271 -4.463 1.00 0.00 O ATOM 345 CB ASP A 24 10.995 -8.896 -2.324 1.00 0.00 C ATOM 346 CG ASP A 24 10.262 -10.165 -1.904 1.00 0.00 C ATOM 347 OD1 ASP A 24 9.508 -10.691 -2.742 1.00 0.00 O ATOM 348 OD2 ASP A 24 10.415 -10.595 -0.735 1.00 0.00 O ATOM 0 H ASP A 24 8.198 -7.967 -2.084 1.00 0.00 H new ATOM 0 HA ASP A 24 10.693 -6.980 -3.210 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.782 -9.158 -3.031 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.483 -8.462 -1.451 1.00 0.00 H new ATOM 352 N ALA A 25 10.317 -8.873 -5.156 1.00 0.00 N ATOM 353 CA ALA A 25 9.989 -9.392 -6.473 1.00 0.00 C ATOM 354 C ALA A 25 9.188 -10.706 -6.473 1.00 0.00 C ATOM 355 O ALA A 25 8.621 -11.060 -7.507 1.00 0.00 O ATOM 356 CB ALA A 25 11.296 -9.591 -7.238 1.00 0.00 C ATOM 0 H ALA A 25 11.317 -8.932 -4.962 1.00 0.00 H new ATOM 0 HA ALA A 25 9.334 -8.660 -6.946 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.080 -9.981 -8.233 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.814 -8.636 -7.327 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.928 -10.298 -6.701 1.00 0.00 H new ATOM 362 N TYR A 26 9.117 -11.450 -5.371 1.00 0.00 N ATOM 363 CA TYR A 26 8.163 -12.543 -5.213 1.00 0.00 C ATOM 364 C TYR A 26 6.809 -11.980 -4.798 1.00 0.00 C ATOM 365 O TYR A 26 5.758 -12.452 -5.236 1.00 0.00 O ATOM 366 CB TYR A 26 8.651 -13.510 -4.122 1.00 0.00 C ATOM 367 CG TYR A 26 10.062 -14.046 -4.293 1.00 0.00 C ATOM 368 CD1 TYR A 26 10.296 -15.111 -5.178 1.00 0.00 C ATOM 369 CD2 TYR A 26 11.135 -13.526 -3.542 1.00 0.00 C ATOM 370 CE1 TYR A 26 11.590 -15.634 -5.336 1.00 0.00 C ATOM 371 CE2 TYR A 26 12.427 -14.075 -3.662 1.00 0.00 C ATOM 372 CZ TYR A 26 12.662 -15.139 -4.564 1.00 0.00 C ATOM 373 OH TYR A 26 13.900 -15.679 -4.721 1.00 0.00 O ATOM 0 H TYR A 26 9.721 -11.311 -4.561 1.00 0.00 H new ATOM 0 HA TYR A 26 8.073 -13.074 -6.161 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.590 -13.002 -3.160 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.965 -14.356 -4.080 1.00 0.00 H new ATOM 0 HD1 TYR A 26 9.475 -15.531 -5.741 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.965 -12.699 -2.868 1.00 0.00 H new ATOM 0 HE1 TYR A 26 11.766 -16.421 -6.054 1.00 0.00 H new ATOM 0 HE2 TYR A 26 13.238 -13.684 -3.065 1.00 0.00 H new ATOM 0 HH TYR A 26 14.531 -15.231 -4.120 1.00 0.00 H new ATOM 382 N ASN A 27 6.820 -10.925 -3.988 1.00 0.00 N ATOM 383 CA ASN A 27 5.656 -10.464 -3.273 1.00 0.00 C ATOM 384 C ASN A 27 4.956 -9.474 -4.164 1.00 0.00 C ATOM 385 O ASN A 27 3.797 -9.207 -3.893 1.00 0.00 O ATOM 386 CB ASN A 27 6.052 -9.867 -1.911 1.00 0.00 C ATOM 387 CG ASN A 27 6.885 -10.831 -1.052 1.00 0.00 C ATOM 388 OD1 ASN A 27 6.853 -12.043 -1.248 1.00 0.00 O ATOM 389 ND2 ASN A 27 7.658 -10.345 -0.094 1.00 0.00 N ATOM 0 H ASN A 27 7.655 -10.365 -3.814 1.00 0.00 H new ATOM 0 HA ASN A 27 4.978 -11.286 -3.043 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.620 -8.951 -2.073 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.150 -9.590 -1.366 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.222 -10.976 0.476 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.690 -9.340 0.075 1.00 0.00 H new ATOM 395 N SER A 28 5.604 -9.002 -5.244 1.00 0.00 N ATOM 396 CA SER A 28 5.147 -8.154 -6.314 1.00 0.00 C ATOM 397 C SER A 28 4.033 -8.771 -7.177 1.00 0.00 C ATOM 398 O SER A 28 3.618 -8.179 -8.177 1.00 0.00 O ATOM 399 CB SER A 28 6.308 -7.631 -7.172 1.00 0.00 C ATOM 400 OG SER A 28 7.109 -8.644 -7.732 1.00 0.00 O ATOM 0 H SER A 28 6.583 -9.249 -5.386 1.00 0.00 H new ATOM 0 HA SER A 28 4.687 -7.299 -5.818 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.904 -7.016 -7.976 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.935 -6.983 -6.560 1.00 0.00 H new ATOM 0 HG SER A 28 7.722 -8.251 -8.388 1.00 0.00 H new ATOM 405 N SER A 29 3.586 -9.986 -6.861 1.00 0.00 N ATOM 406 CA SER A 29 2.295 -10.465 -7.316 1.00 0.00 C ATOM 407 C SER A 29 1.376 -10.825 -6.147 1.00 0.00 C ATOM 408 O SER A 29 0.166 -10.684 -6.320 1.00 0.00 O ATOM 409 CB SER A 29 2.450 -11.536 -8.402 1.00 0.00 C ATOM 410 OG SER A 29 3.618 -12.339 -8.269 1.00 0.00 O ATOM 0 H SER A 29 4.105 -10.653 -6.290 1.00 0.00 H new ATOM 0 HA SER A 29 1.768 -9.651 -7.814 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.574 -12.184 -8.385 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.467 -11.049 -9.377 1.00 0.00 H new ATOM 0 HG SER A 29 3.646 -12.998 -8.994 1.00 0.00 H new ATOM 415 N GLU A 30 1.910 -11.172 -4.966 1.00 0.00 N ATOM 416 CA GLU A 30 1.094 -11.481 -3.789 1.00 0.00 C ATOM 417 C GLU A 30 0.323 -10.247 -3.291 1.00 0.00 C ATOM 418 O GLU A 30 -0.899 -10.223 -3.420 1.00 0.00 O ATOM 419 CB GLU A 30 1.920 -12.158 -2.674 1.00 0.00 C ATOM 420 CG GLU A 30 1.139 -13.375 -2.146 1.00 0.00 C ATOM 421 CD GLU A 30 1.864 -14.143 -1.036 1.00 0.00 C ATOM 422 OE1 GLU A 30 2.860 -14.831 -1.317 1.00 0.00 O ATOM 423 OE2 GLU A 30 1.392 -14.102 0.129 1.00 0.00 O ATOM 0 H GLU A 30 2.914 -11.245 -4.804 1.00 0.00 H new ATOM 0 HA GLU A 30 0.345 -12.210 -4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.890 -12.471 -3.060 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.111 -11.453 -1.865 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.172 -13.039 -1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.940 -14.055 -2.975 1.00 0.00 H new ATOM 428 N LEU A 31 0.991 -9.198 -2.776 1.00 0.00 N ATOM 429 CA LEU A 31 0.351 -7.945 -2.352 1.00 0.00 C ATOM 430 C LEU A 31 -0.565 -7.427 -3.445 1.00 0.00 C ATOM 431 O LEU A 31 -1.698 -7.023 -3.186 1.00 0.00 O ATOM 432 CB LEU A 31 1.422 -6.945 -1.855 1.00 0.00 C ATOM 433 CG LEU A 31 0.813 -5.582 -1.507 1.00 0.00 C ATOM 434 CD1 LEU A 31 1.706 -4.848 -0.517 1.00 0.00 C ATOM 435 CD2 LEU A 31 0.712 -4.728 -2.762 1.00 0.00 C ATOM 0 H LEU A 31 2.002 -9.200 -2.642 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.302 -8.113 -1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.921 -7.354 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.184 -6.817 -2.624 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.174 -5.748 -1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.264 -3.881 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.803 -5.439 0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.691 -4.697 -0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.279 -3.760 -2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.707 -4.581 -3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.078 -5.230 -3.493 1.00 0.00 H new ATOM 446 N LYS A 32 -0.063 -7.446 -4.669 1.00 0.00 N ATOM 447 CA LYS A 32 -0.736 -6.926 -5.839 1.00 0.00 C ATOM 448 C LYS A 32 -2.092 -7.613 -5.934 1.00 0.00 C ATOM 449 O LYS A 32 -3.095 -6.911 -6.008 1.00 0.00 O ATOM 450 CB LYS A 32 0.160 -7.192 -7.075 1.00 0.00 C ATOM 451 CG LYS A 32 -0.252 -6.165 -8.144 1.00 0.00 C ATOM 452 CD LYS A 32 0.558 -6.217 -9.442 1.00 0.00 C ATOM 453 CE LYS A 32 0.126 -7.391 -10.308 1.00 0.00 C ATOM 454 NZ LYS A 32 0.684 -7.289 -11.666 1.00 0.00 N ATOM 0 H LYS A 32 0.855 -7.838 -4.878 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.904 -5.850 -5.783 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.214 -7.084 -6.820 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.023 -8.209 -7.442 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.304 -6.317 -8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.163 -5.165 -7.718 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.427 -5.286 -9.994 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.619 -6.303 -9.209 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.452 -8.324 -9.848 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.962 -7.425 -10.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.371 -8.104 -12.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.353 -6.410 -12.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.723 -7.281 -11.615 1.00 0.00 H new ATOM 464 N GLU A 33 -2.132 -8.950 -5.865 1.00 0.00 N ATOM 465 CA GLU A 33 -3.341 -9.756 -5.977 1.00 0.00 C ATOM 466 C GLU A 33 -4.341 -9.354 -4.918 1.00 0.00 C ATOM 467 O GLU A 33 -5.499 -9.090 -5.255 1.00 0.00 O ATOM 468 CB GLU A 33 -3.042 -11.253 -5.803 1.00 0.00 C ATOM 469 CG GLU A 33 -3.126 -11.988 -7.132 1.00 0.00 C ATOM 470 CD GLU A 33 -2.885 -13.484 -6.929 1.00 0.00 C ATOM 471 OE1 GLU A 33 -3.597 -14.111 -6.109 1.00 0.00 O ATOM 472 OE2 GLU A 33 -1.989 -14.044 -7.602 1.00 0.00 O ATOM 0 H GLU A 33 -1.293 -9.513 -5.725 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.746 -9.582 -6.974 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.047 -11.381 -5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.750 -11.689 -5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.106 -11.829 -7.582 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.388 -11.585 -7.825 1.00 0.00 H new ATOM 477 N GLN A 34 -3.874 -9.303 -3.665 1.00 0.00 N ATOM 478 CA GLN A 34 -4.688 -8.984 -2.500 1.00 0.00 C ATOM 479 C GLN A 34 -5.497 -7.742 -2.802 1.00 0.00 C ATOM 480 O GLN A 34 -6.681 -7.700 -2.494 1.00 0.00 O ATOM 481 CB GLN A 34 -3.821 -8.714 -1.257 1.00 0.00 C ATOM 482 CG GLN A 34 -2.860 -9.833 -0.867 1.00 0.00 C ATOM 483 CD GLN A 34 -3.443 -10.766 0.187 1.00 0.00 C ATOM 484 OE1 GLN A 34 -3.180 -10.617 1.381 1.00 0.00 O ATOM 485 NE2 GLN A 34 -4.264 -11.719 -0.222 1.00 0.00 N ATOM 0 H GLN A 34 -2.898 -9.487 -3.434 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.333 -9.837 -2.289 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.242 -7.807 -1.430 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.481 -8.515 -0.412 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.601 -10.410 -1.755 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.935 -9.397 -0.489 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.468 -11.825 -1.216 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.693 -12.348 0.456 1.00 0.00 H new ATOM 492 N LEU A 35 -4.867 -6.742 -3.417 1.00 0.00 N ATOM 493 CA LEU A 35 -5.446 -5.424 -3.546 1.00 0.00 C ATOM 494 C LEU A 35 -6.317 -5.367 -4.768 1.00 0.00 C ATOM 495 O LEU A 35 -7.413 -4.875 -4.641 1.00 0.00 O ATOM 496 CB LEU A 35 -4.371 -4.373 -3.716 1.00 0.00 C ATOM 497 CG LEU A 35 -3.536 -4.131 -2.457 1.00 0.00 C ATOM 498 CD1 LEU A 35 -2.341 -3.256 -2.811 1.00 0.00 C ATOM 499 CD2 LEU A 35 -4.354 -3.436 -1.355 1.00 0.00 C ATOM 0 H LEU A 35 -3.942 -6.832 -3.837 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.021 -5.230 -2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.708 -4.673 -4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.838 -3.435 -4.016 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.209 -5.100 -2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.742 -3.080 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.732 -3.758 -3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.692 -2.303 -3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.726 -3.282 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.711 -2.473 -1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.206 -4.060 -1.086 1.00 0.00 H new ATOM 510 N ARG A 36 -5.899 -5.815 -5.954 1.00 0.00 N ATOM 511 CA ARG A 36 -6.791 -5.735 -7.113 1.00 0.00 C ATOM 512 C ARG A 36 -8.051 -6.569 -6.903 1.00 0.00 C ATOM 513 O ARG A 36 -9.123 -6.187 -7.368 1.00 0.00 O ATOM 514 CB ARG A 36 -6.067 -6.109 -8.407 1.00 0.00 C ATOM 515 CG ARG A 36 -5.329 -7.456 -8.393 1.00 0.00 C ATOM 516 CD ARG A 36 -4.498 -7.701 -9.662 1.00 0.00 C ATOM 517 NE ARG A 36 -5.312 -7.801 -10.885 1.00 0.00 N ATOM 518 CZ ARG A 36 -5.661 -6.818 -11.725 1.00 0.00 C ATOM 519 NH1 ARG A 36 -5.305 -5.551 -11.522 1.00 0.00 N ATOM 520 NH2 ARG A 36 -6.387 -7.116 -12.793 1.00 0.00 N ATOM 0 H ARG A 36 -4.982 -6.223 -6.135 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.106 -4.696 -7.215 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.795 -6.123 -9.218 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.347 -5.324 -8.639 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.673 -7.495 -7.523 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.056 -8.261 -8.281 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.779 -6.890 -9.779 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.925 -8.620 -9.540 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.652 -8.733 -11.121 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.748 -5.303 -10.705 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.589 -4.829 -12.184 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.670 -8.081 -12.964 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.662 -6.381 -13.444 1.00 0.00 H new ATOM 531 N ASN A 37 -7.933 -7.678 -6.172 1.00 0.00 N ATOM 532 CA ASN A 37 -9.071 -8.483 -5.776 1.00 0.00 C ATOM 533 C ASN A 37 -9.916 -7.679 -4.784 1.00 0.00 C ATOM 534 O ASN A 37 -11.124 -7.533 -4.957 1.00 0.00 O ATOM 535 CB ASN A 37 -8.585 -9.826 -5.194 1.00 0.00 C ATOM 536 CG ASN A 37 -9.739 -10.794 -4.944 1.00 0.00 C ATOM 537 OD1 ASN A 37 -10.725 -10.456 -4.303 1.00 0.00 O ATOM 538 ND2 ASN A 37 -9.648 -12.019 -5.433 1.00 0.00 N ATOM 0 H ASN A 37 -7.038 -8.038 -5.840 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.698 -8.723 -6.635 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.872 -10.282 -5.881 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.055 -9.645 -4.259 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.402 -12.688 -5.277 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.824 -12.295 -5.967 1.00 0.00 H new ATOM 544 N PHE A 38 -9.271 -7.102 -3.769 1.00 0.00 N ATOM 545 CA PHE A 38 -9.958 -6.454 -2.668 1.00 0.00 C ATOM 546 C PHE A 38 -10.565 -5.122 -3.057 1.00 0.00 C ATOM 547 O PHE A 38 -11.656 -4.816 -2.610 1.00 0.00 O ATOM 548 CB PHE A 38 -8.994 -6.251 -1.515 1.00 0.00 C ATOM 549 CG PHE A 38 -9.457 -5.360 -0.393 1.00 0.00 C ATOM 550 CD1 PHE A 38 -10.361 -5.834 0.573 1.00 0.00 C ATOM 551 CD2 PHE A 38 -8.935 -4.059 -0.303 1.00 0.00 C ATOM 552 CE1 PHE A 38 -10.724 -5.007 1.646 1.00 0.00 C ATOM 553 CE2 PHE A 38 -9.304 -3.228 0.760 1.00 0.00 C ATOM 554 CZ PHE A 38 -10.193 -3.711 1.742 1.00 0.00 C ATOM 0 H PHE A 38 -8.254 -7.075 -3.694 1.00 0.00 H new ATOM 0 HA PHE A 38 -10.777 -7.109 -2.372 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.754 -7.228 -1.096 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.067 -5.840 -1.915 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.774 -6.829 0.490 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.248 -3.700 -1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.411 -5.367 2.397 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.911 -2.224 0.828 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.467 -3.079 2.574 1.00 0.00 H new ATOM 563 N ILE A 39 -9.910 -4.313 -3.879 1.00 0.00 N ATOM 564 CA ILE A 39 -10.513 -3.128 -4.482 1.00 0.00 C ATOM 565 C ILE A 39 -11.834 -3.464 -5.177 1.00 0.00 C ATOM 566 O ILE A 39 -12.764 -2.657 -5.119 1.00 0.00 O ATOM 567 CB ILE A 39 -9.456 -2.504 -5.404 1.00 0.00 C ATOM 568 CG1 ILE A 39 -8.617 -1.537 -4.537 1.00 0.00 C ATOM 569 CG2 ILE A 39 -9.993 -1.816 -6.667 1.00 0.00 C ATOM 570 CD1 ILE A 39 -7.154 -1.429 -4.954 1.00 0.00 C ATOM 0 H ILE A 39 -8.938 -4.460 -4.149 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.793 -2.393 -3.727 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.854 -3.314 -5.815 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.069 -0.546 -4.578 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.663 -1.865 -3.499 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.161 -1.412 -7.243 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.536 -2.541 -7.274 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.665 -1.006 -6.382 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.638 -0.731 -4.295 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.683 -2.409 -4.885 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.094 -1.069 -5.981 1.00 0.00 H new ATOM 581 N SER A 40 -11.921 -4.635 -5.810 1.00 0.00 N ATOM 582 CA SER A 40 -13.153 -5.126 -6.391 1.00 0.00 C ATOM 583 C SER A 40 -14.191 -5.322 -5.276 1.00 0.00 C ATOM 584 O SER A 40 -15.265 -4.727 -5.354 1.00 0.00 O ATOM 585 CB SER A 40 -12.825 -6.403 -7.174 1.00 0.00 C ATOM 586 OG SER A 40 -13.412 -6.408 -8.459 1.00 0.00 O ATOM 0 H SER A 40 -11.129 -5.267 -5.930 1.00 0.00 H new ATOM 0 HA SER A 40 -13.596 -4.419 -7.093 1.00 0.00 H new ATOM 0 HB2 SER A 40 -11.744 -6.500 -7.270 1.00 0.00 H new ATOM 0 HB3 SER A 40 -13.174 -7.270 -6.614 1.00 0.00 H new ATOM 0 HG SER A 40 -13.176 -7.238 -8.923 1.00 0.00 H new ATOM 591 N THR A 41 -13.854 -6.069 -4.214 1.00 0.00 N ATOM 592 CA THR A 41 -14.694 -6.272 -3.052 1.00 0.00 C ATOM 593 C THR A 41 -15.152 -4.946 -2.444 1.00 0.00 C ATOM 594 O THR A 41 -16.331 -4.793 -2.121 1.00 0.00 O ATOM 595 CB THR A 41 -13.907 -7.076 -2.009 1.00 0.00 C ATOM 596 OG1 THR A 41 -13.437 -8.307 -2.522 1.00 0.00 O ATOM 597 CG2 THR A 41 -14.726 -7.312 -0.748 1.00 0.00 C ATOM 0 H THR A 41 -12.961 -6.557 -4.150 1.00 0.00 H new ATOM 0 HA THR A 41 -15.587 -6.816 -3.361 1.00 0.00 H new ATOM 0 HB THR A 41 -13.039 -6.470 -1.750 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.941 -8.784 -1.824 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.136 -7.885 -0.033 1.00 0.00 H new ATOM 0 HG22 THR A 41 -15.000 -6.353 -0.308 1.00 0.00 H new ATOM 0 HG23 THR A 41 -15.630 -7.867 -1.000 1.00 0.00 H new ATOM 605 N THR A 42 -14.204 -4.067 -2.114 1.00 0.00 N ATOM 606 CA THR A 42 -14.322 -3.354 -0.859 1.00 0.00 C ATOM 607 C THR A 42 -15.430 -2.320 -0.949 1.00 0.00 C ATOM 608 O THR A 42 -15.455 -1.453 -1.820 1.00 0.00 O ATOM 609 CB THR A 42 -12.972 -2.815 -0.356 1.00 0.00 C ATOM 610 OG1 THR A 42 -13.141 -2.214 0.920 1.00 0.00 O ATOM 611 CG2 THR A 42 -12.317 -1.793 -1.287 1.00 0.00 C ATOM 0 H THR A 42 -13.383 -3.844 -2.676 1.00 0.00 H new ATOM 0 HA THR A 42 -14.620 -4.055 -0.080 1.00 0.00 H new ATOM 0 HB THR A 42 -12.309 -3.679 -0.312 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.679 -2.803 1.490 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.370 -1.464 -0.858 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.135 -2.251 -2.259 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.978 -0.935 -1.408 1.00 0.00 H new ATOM 619 N SER A 43 -16.331 -2.419 0.014 1.00 0.00 N ATOM 620 CA SER A 43 -17.383 -1.475 0.295 1.00 0.00 C ATOM 621 C SER A 43 -16.871 -0.068 0.624 1.00 0.00 C ATOM 622 O SER A 43 -17.675 0.859 0.723 1.00 0.00 O ATOM 623 CB SER A 43 -18.081 -2.057 1.511 1.00 0.00 C ATOM 624 OG SER A 43 -18.976 -3.075 1.128 1.00 0.00 O ATOM 0 H SER A 43 -16.342 -3.212 0.656 1.00 0.00 H new ATOM 0 HA SER A 43 -18.025 -1.347 -0.577 1.00 0.00 H new ATOM 0 HB2 SER A 43 -17.342 -2.457 2.205 1.00 0.00 H new ATOM 0 HB3 SER A 43 -18.620 -1.270 2.039 1.00 0.00 H new ATOM 0 HG SER A 43 -19.416 -3.440 1.924 1.00 0.00 H new ATOM 629 N LYS A 44 -15.569 0.125 0.852 1.00 0.00 N ATOM 630 CA LYS A 44 -15.011 1.413 1.233 1.00 0.00 C ATOM 631 C LYS A 44 -14.246 1.997 0.078 1.00 0.00 C ATOM 632 O LYS A 44 -13.940 1.328 -0.906 1.00 0.00 O ATOM 633 CB LYS A 44 -14.113 1.236 2.465 1.00 0.00 C ATOM 634 CG LYS A 44 -14.908 1.163 3.776 1.00 0.00 C ATOM 635 CD LYS A 44 -15.699 -0.126 3.935 1.00 0.00 C ATOM 636 CE LYS A 44 -16.119 -0.293 5.394 1.00 0.00 C ATOM 637 NZ LYS A 44 -16.936 -1.504 5.575 1.00 0.00 N ATOM 0 H LYS A 44 -14.873 -0.617 0.775 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.813 2.105 1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.524 0.326 2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.409 2.067 2.518 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.220 1.263 4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.594 2.009 3.823 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.579 -0.106 3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.094 -0.977 3.620 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.233 -0.350 6.026 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.684 0.582 5.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.250 -1.566 6.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.766 -1.459 4.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.370 -2.343 5.338 1.00 0.00 H new ATOM 647 N LYS A 45 -13.943 3.282 0.210 1.00 0.00 N ATOM 648 CA LYS A 45 -13.254 4.006 -0.829 1.00 0.00 C ATOM 649 C LYS A 45 -11.855 4.352 -0.408 1.00 0.00 C ATOM 650 O LYS A 45 -10.975 4.222 -1.247 1.00 0.00 O ATOM 651 CB LYS A 45 -14.061 5.221 -1.249 1.00 0.00 C ATOM 652 CG LYS A 45 -15.385 4.787 -1.898 1.00 0.00 C ATOM 653 CD LYS A 45 -15.870 5.819 -2.930 1.00 0.00 C ATOM 654 CE LYS A 45 -15.873 7.257 -2.385 1.00 0.00 C ATOM 655 NZ LYS A 45 -16.946 7.493 -1.397 1.00 0.00 N ATOM 0 H LYS A 45 -14.169 3.839 1.034 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.160 3.366 -1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.263 5.849 -0.381 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.485 5.823 -1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.254 3.820 -2.383 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.144 4.657 -1.127 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.230 5.772 -3.811 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.877 5.556 -3.253 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.908 7.468 -1.924 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.989 7.955 -3.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.901 8.477 -1.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.871 7.320 -1.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.823 6.848 -0.590 1.00 0.00 H new ATOM 665 N LYS A 46 -11.598 4.779 0.835 1.00 0.00 N ATOM 666 CA LYS A 46 -10.208 4.942 1.256 1.00 0.00 C ATOM 667 C LYS A 46 -9.544 3.613 1.409 1.00 0.00 C ATOM 668 O LYS A 46 -10.214 2.666 1.778 1.00 0.00 O ATOM 669 CB LYS A 46 -10.053 5.816 2.509 1.00 0.00 C ATOM 670 CG LYS A 46 -9.565 7.221 2.177 1.00 0.00 C ATOM 671 CD LYS A 46 -9.745 8.224 3.324 1.00 0.00 C ATOM 672 CE LYS A 46 -10.976 9.120 3.144 1.00 0.00 C ATOM 673 NZ LYS A 46 -10.866 9.995 1.951 1.00 0.00 N ATOM 0 H LYS A 46 -12.302 5.008 1.537 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.697 5.486 0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.010 5.879 3.026 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.351 5.342 3.195 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.510 7.175 1.908 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.101 7.585 1.301 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.832 7.681 4.265 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.855 8.849 3.397 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.866 8.497 3.054 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.107 9.737 4.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.634 10.696 1.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.949 10.485 1.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.938 9.418 1.089 1.00 0.00 H new ATOM 683 N ILE A 47 -8.254 3.527 1.093 1.00 0.00 N ATOM 684 CA ILE A 47 -7.527 2.275 1.137 1.00 0.00 C ATOM 685 C ILE A 47 -6.212 2.686 1.768 1.00 0.00 C ATOM 686 O ILE A 47 -5.353 3.274 1.109 1.00 0.00 O ATOM 687 CB ILE A 47 -7.474 1.635 -0.273 1.00 0.00 C ATOM 688 CG1 ILE A 47 -8.912 1.517 -0.835 1.00 0.00 C ATOM 689 CG2 ILE A 47 -6.852 0.236 -0.178 1.00 0.00 C ATOM 690 CD1 ILE A 47 -9.071 1.224 -2.306 1.00 0.00 C ATOM 0 H ILE A 47 -7.690 4.325 0.801 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.973 1.470 1.721 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.870 2.258 -0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.425 0.732 -0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -9.433 2.451 -0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.815 -0.214 -1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.842 0.314 0.223 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.457 -0.387 0.481 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.131 1.170 -2.554 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.602 2.018 -2.888 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.595 0.272 -2.541 1.00 0.00 H new ATOM 701 N VAL A 48 -6.158 2.549 3.089 1.00 0.00 N ATOM 702 CA VAL A 48 -5.188 3.222 3.930 1.00 0.00 C ATOM 703 C VAL A 48 -4.223 2.182 4.423 1.00 0.00 C ATOM 704 O VAL A 48 -4.558 1.339 5.255 1.00 0.00 O ATOM 705 CB VAL A 48 -5.849 3.950 5.105 1.00 0.00 C ATOM 706 CG1 VAL A 48 -4.789 4.846 5.738 1.00 0.00 C ATOM 707 CG2 VAL A 48 -7.064 4.766 4.658 1.00 0.00 C ATOM 0 H VAL A 48 -6.802 1.954 3.610 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.673 3.988 3.351 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.222 3.225 5.828 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.223 5.383 6.581 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.957 4.235 6.087 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.429 5.562 4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.504 5.266 5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.753 5.511 3.926 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.803 4.102 4.208 1.00 0.00 H new ATOM 717 N LEU A 49 -3.047 2.206 3.833 1.00 0.00 N ATOM 718 CA LEU A 49 -2.051 1.200 4.054 1.00 0.00 C ATOM 719 C LEU A 49 -1.277 1.523 5.321 1.00 0.00 C ATOM 720 O LEU A 49 -1.159 2.679 5.714 1.00 0.00 O ATOM 721 CB LEU A 49 -1.165 1.134 2.813 1.00 0.00 C ATOM 722 CG LEU A 49 -1.728 0.322 1.643 1.00 0.00 C ATOM 723 CD1 LEU A 49 -1.738 -1.161 1.994 1.00 0.00 C ATOM 724 CD2 LEU A 49 -3.114 0.753 1.154 1.00 0.00 C ATOM 0 H LEU A 49 -2.760 2.936 3.181 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.496 0.217 4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.975 2.151 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.202 0.709 3.097 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.056 0.522 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.140 -1.731 1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.721 -1.492 2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.360 -1.322 2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.422 0.116 0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.832 0.660 1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.076 1.790 0.820 1.00 0.00 H new ATOM 735 N ASP A 50 -0.706 0.495 5.928 1.00 0.00 N ATOM 736 CA ASP A 50 0.109 0.561 7.141 1.00 0.00 C ATOM 737 C ASP A 50 1.353 -0.278 6.896 1.00 0.00 C ATOM 738 O ASP A 50 1.247 -1.498 6.758 1.00 0.00 O ATOM 739 CB ASP A 50 -0.669 -0.011 8.325 1.00 0.00 C ATOM 740 CG ASP A 50 -0.069 0.311 9.686 1.00 0.00 C ATOM 741 OD1 ASP A 50 0.434 1.432 9.918 1.00 0.00 O ATOM 742 OD2 ASP A 50 -0.249 -0.524 10.596 1.00 0.00 O ATOM 0 H ASP A 50 -0.800 -0.457 5.574 1.00 0.00 H new ATOM 0 HA ASP A 50 0.373 1.594 7.370 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.690 0.371 8.292 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.730 -1.094 8.215 1.00 0.00 H new ATOM 746 N LEU A 51 2.507 0.363 6.726 1.00 0.00 N ATOM 747 CA LEU A 51 3.734 -0.230 6.226 1.00 0.00 C ATOM 748 C LEU A 51 4.756 -0.405 7.343 1.00 0.00 C ATOM 749 O LEU A 51 5.938 -0.624 7.081 1.00 0.00 O ATOM 750 CB LEU A 51 4.260 0.582 5.031 1.00 0.00 C ATOM 751 CG LEU A 51 3.315 0.691 3.815 1.00 0.00 C ATOM 752 CD1 LEU A 51 2.546 -0.598 3.489 1.00 0.00 C ATOM 753 CD2 LEU A 51 2.309 1.833 3.921 1.00 0.00 C ATOM 0 H LEU A 51 2.612 1.354 6.944 1.00 0.00 H new ATOM 0 HA LEU A 51 3.529 -1.236 5.859 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.492 1.589 5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.197 0.135 4.698 1.00 0.00 H new ATOM 0 HG LEU A 51 4.008 0.895 2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.907 -0.431 2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.253 -1.398 3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.931 -0.881 4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.680 1.847 3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.686 1.688 4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.842 2.780 4.004 1.00 0.00 H new ATOM 764 N SER A 52 4.278 -0.396 8.587 1.00 0.00 N ATOM 765 CA SER A 52 5.044 -0.631 9.797 1.00 0.00 C ATOM 766 C SER A 52 5.858 -1.927 9.708 1.00 0.00 C ATOM 767 O SER A 52 6.933 -2.036 10.301 1.00 0.00 O ATOM 768 CB SER A 52 4.050 -0.706 10.959 1.00 0.00 C ATOM 769 OG SER A 52 4.720 -0.796 12.192 1.00 0.00 O ATOM 0 H SER A 52 3.293 -0.214 8.781 1.00 0.00 H new ATOM 0 HA SER A 52 5.758 0.179 9.944 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.411 0.177 10.952 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.400 -1.571 10.831 1.00 0.00 H new ATOM 0 HG SER A 52 4.064 -0.841 12.918 1.00 0.00 H new ATOM 774 N SER A 53 5.355 -2.916 8.975 1.00 0.00 N ATOM 775 CA SER A 53 5.922 -4.237 8.828 1.00 0.00 C ATOM 776 C SER A 53 6.748 -4.377 7.536 1.00 0.00 C ATOM 777 O SER A 53 7.379 -5.419 7.330 1.00 0.00 O ATOM 778 CB SER A 53 4.716 -5.176 8.858 1.00 0.00 C ATOM 779 OG SER A 53 4.123 -5.219 10.146 1.00 0.00 O ATOM 0 H SER A 53 4.493 -2.803 8.441 1.00 0.00 H new ATOM 0 HA SER A 53 6.634 -4.468 9.620 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.978 -4.845 8.127 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.027 -6.179 8.566 1.00 0.00 H new ATOM 0 HG SER A 53 3.637 -6.063 10.254 1.00 0.00 H new ATOM 784 N VAL A 54 6.774 -3.363 6.657 1.00 0.00 N ATOM 785 CA VAL A 54 7.576 -3.400 5.444 1.00 0.00 C ATOM 786 C VAL A 54 8.988 -2.970 5.874 1.00 0.00 C ATOM 787 O VAL A 54 9.307 -1.779 5.902 1.00 0.00 O ATOM 788 CB VAL A 54 6.986 -2.500 4.320 1.00 0.00 C ATOM 789 CG1 VAL A 54 7.906 -2.471 3.090 1.00 0.00 C ATOM 790 CG2 VAL A 54 5.618 -2.939 3.766 1.00 0.00 C ATOM 0 H VAL A 54 6.239 -2.502 6.774 1.00 0.00 H new ATOM 0 HA VAL A 54 7.590 -4.397 5.003 1.00 0.00 H new ATOM 0 HB VAL A 54 6.884 -1.537 4.820 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.467 -1.834 2.322 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.881 -2.076 3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.023 -3.482 2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.300 -2.244 2.989 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.701 -3.941 3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.884 -2.944 4.572 1.00 0.00 H new ATOM 800 N SER A 55 9.835 -3.917 6.273 1.00 0.00 N ATOM 801 CA SER A 55 11.185 -3.654 6.729 1.00 0.00 C ATOM 802 C SER A 55 12.177 -3.458 5.580 1.00 0.00 C ATOM 803 O SER A 55 13.184 -2.776 5.761 1.00 0.00 O ATOM 804 CB SER A 55 11.583 -4.845 7.583 1.00 0.00 C ATOM 805 OG SER A 55 11.168 -4.651 8.925 1.00 0.00 O ATOM 0 H SER A 55 9.590 -4.907 6.286 1.00 0.00 H new ATOM 0 HA SER A 55 11.209 -2.720 7.290 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.132 -5.754 7.184 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.664 -4.982 7.546 1.00 0.00 H new ATOM 0 HG SER A 55 11.429 -5.427 9.464 1.00 0.00 H new ATOM 810 N TYR A 56 11.900 -4.014 4.404 1.00 0.00 N ATOM 811 CA TYR A 56 12.697 -3.845 3.204 1.00 0.00 C ATOM 812 C TYR A 56 11.732 -3.603 2.049 1.00 0.00 C ATOM 813 O TYR A 56 10.559 -3.974 2.134 1.00 0.00 O ATOM 814 CB TYR A 56 13.586 -5.082 2.992 1.00 0.00 C ATOM 815 CG TYR A 56 14.228 -5.120 1.623 1.00 0.00 C ATOM 816 CD1 TYR A 56 15.378 -4.353 1.369 1.00 0.00 C ATOM 817 CD2 TYR A 56 13.587 -5.802 0.570 1.00 0.00 C ATOM 818 CE1 TYR A 56 15.890 -4.267 0.064 1.00 0.00 C ATOM 819 CE2 TYR A 56 14.114 -5.745 -0.734 1.00 0.00 C ATOM 820 CZ TYR A 56 15.273 -4.975 -0.989 1.00 0.00 C ATOM 821 OH TYR A 56 15.838 -4.922 -2.225 1.00 0.00 O ATOM 0 H TYR A 56 11.087 -4.613 4.261 1.00 0.00 H new ATOM 0 HA TYR A 56 13.373 -2.993 3.280 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.366 -5.097 3.754 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.987 -5.982 3.131 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.868 -3.830 2.177 1.00 0.00 H new ATOM 0 HD2 TYR A 56 12.689 -6.370 0.764 1.00 0.00 H new ATOM 0 HE1 TYR A 56 16.759 -3.657 -0.134 1.00 0.00 H new ATOM 0 HE2 TYR A 56 13.636 -6.287 -1.536 1.00 0.00 H new ATOM 0 HH TYR A 56 15.651 -5.755 -2.706 1.00 0.00 H new ATOM 830 N MET A 57 12.228 -2.968 0.989 1.00 0.00 N ATOM 831 CA MET A 57 11.518 -2.716 -0.247 1.00 0.00 C ATOM 832 C MET A 57 12.537 -2.752 -1.377 1.00 0.00 C ATOM 833 O MET A 57 13.613 -2.161 -1.228 1.00 0.00 O ATOM 834 CB MET A 57 10.844 -1.341 -0.159 1.00 0.00 C ATOM 835 CG MET A 57 9.987 -1.003 -1.372 1.00 0.00 C ATOM 836 SD MET A 57 9.581 0.734 -1.611 1.00 0.00 S ATOM 837 CE MET A 57 8.380 0.380 -2.906 1.00 0.00 C ATOM 0 H MET A 57 13.180 -2.602 0.976 1.00 0.00 H new ATOM 0 HA MET A 57 10.746 -3.464 -0.428 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.222 -1.307 0.736 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.612 -0.576 -0.043 1.00 0.00 H new ATOM 0 HG2 MET A 57 10.503 -1.358 -2.264 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.055 -1.564 -1.298 1.00 0.00 H new ATOM 0 HE1 MET A 57 8.129 1.302 -3.431 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.805 -0.335 -3.611 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.479 -0.041 -2.461 1.00 0.00 H new ATOM 845 N ASP A 58 12.178 -3.371 -2.503 1.00 0.00 N ATOM 846 CA ASP A 58 12.910 -3.253 -3.760 1.00 0.00 C ATOM 847 C ASP A 58 12.112 -2.378 -4.735 1.00 0.00 C ATOM 848 O ASP A 58 10.957 -2.024 -4.485 1.00 0.00 O ATOM 849 CB ASP A 58 13.135 -4.660 -4.332 1.00 0.00 C ATOM 850 CG ASP A 58 14.043 -4.707 -5.559 1.00 0.00 C ATOM 851 OD1 ASP A 58 14.902 -3.813 -5.738 1.00 0.00 O ATOM 852 OD2 ASP A 58 13.891 -5.674 -6.336 1.00 0.00 O ATOM 0 H ASP A 58 11.359 -3.976 -2.566 1.00 0.00 H new ATOM 0 HA ASP A 58 13.879 -2.781 -3.597 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.564 -5.291 -3.554 1.00 0.00 H new ATOM 0 HB3 ASP A 58 12.169 -5.091 -4.594 1.00 0.00 H new ATOM 856 N SER A 59 12.687 -2.074 -5.896 1.00 0.00 N ATOM 857 CA SER A 59 12.016 -1.388 -6.999 1.00 0.00 C ATOM 858 C SER A 59 10.689 -2.061 -7.384 1.00 0.00 C ATOM 859 O SER A 59 9.761 -1.379 -7.825 1.00 0.00 O ATOM 860 CB SER A 59 12.961 -1.371 -8.208 1.00 0.00 C ATOM 861 OG SER A 59 14.232 -0.837 -7.861 1.00 0.00 O ATOM 0 H SER A 59 13.659 -2.304 -6.102 1.00 0.00 H new ATOM 0 HA SER A 59 11.777 -0.374 -6.678 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.082 -2.384 -8.592 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.520 -0.777 -9.009 1.00 0.00 H new ATOM 0 HG SER A 59 14.814 -0.840 -8.649 1.00 0.00 H new ATOM 866 N ALA A 60 10.578 -3.382 -7.177 1.00 0.00 N ATOM 867 CA ALA A 60 9.418 -4.166 -7.557 1.00 0.00 C ATOM 868 C ALA A 60 8.187 -3.640 -6.825 1.00 0.00 C ATOM 869 O ALA A 60 7.142 -3.402 -7.430 1.00 0.00 O ATOM 870 CB ALA A 60 9.677 -5.636 -7.215 1.00 0.00 C ATOM 0 H ALA A 60 11.311 -3.935 -6.732 1.00 0.00 H new ATOM 0 HA ALA A 60 9.238 -4.083 -8.629 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.810 -6.233 -7.497 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.553 -5.988 -7.760 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.853 -5.735 -6.144 1.00 0.00 H new ATOM 876 N GLY A 61 8.313 -3.426 -5.515 1.00 0.00 N ATOM 877 CA GLY A 61 7.251 -2.987 -4.632 1.00 0.00 C ATOM 878 C GLY A 61 6.590 -1.726 -5.173 1.00 0.00 C ATOM 879 O GLY A 61 5.372 -1.582 -5.167 1.00 0.00 O ATOM 0 H GLY A 61 9.198 -3.562 -5.027 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.508 -3.777 -4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.654 -2.795 -3.638 1.00 0.00 H new ATOM 883 N LEU A 62 7.414 -0.806 -5.666 1.00 0.00 N ATOM 884 CA LEU A 62 7.025 0.527 -6.089 1.00 0.00 C ATOM 885 C LEU A 62 6.107 0.413 -7.303 1.00 0.00 C ATOM 886 O LEU A 62 4.983 0.926 -7.278 1.00 0.00 O ATOM 887 CB LEU A 62 8.293 1.404 -6.261 1.00 0.00 C ATOM 888 CG LEU A 62 8.712 1.849 -7.679 1.00 0.00 C ATOM 889 CD1 LEU A 62 7.673 2.790 -8.289 1.00 0.00 C ATOM 890 CD2 LEU A 62 10.053 2.583 -7.591 1.00 0.00 C ATOM 0 H LEU A 62 8.412 -0.981 -5.785 1.00 0.00 H new ATOM 0 HA LEU A 62 6.433 1.050 -5.337 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.154 2.304 -5.662 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.131 0.859 -5.827 1.00 0.00 H new ATOM 0 HG LEU A 62 8.794 0.965 -8.311 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.993 3.088 -9.287 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.713 2.279 -8.354 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.571 3.675 -7.662 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.359 2.902 -8.587 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.948 3.456 -6.946 1.00 0.00 H new ATOM 0 HD23 LEU A 62 10.807 1.914 -7.177 1.00 0.00 H new ATOM 901 N GLY A 63 6.556 -0.308 -8.331 1.00 0.00 N ATOM 902 CA GLY A 63 5.788 -0.562 -9.540 1.00 0.00 C ATOM 903 C GLY A 63 4.490 -1.309 -9.232 1.00 0.00 C ATOM 904 O GLY A 63 3.499 -1.182 -9.954 1.00 0.00 O ATOM 0 H GLY A 63 7.481 -0.738 -8.342 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.557 0.383 -10.031 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.388 -1.146 -10.238 1.00 0.00 H new ATOM 908 N THR A 64 4.468 -2.034 -8.115 1.00 0.00 N ATOM 909 CA THR A 64 3.378 -2.887 -7.684 1.00 0.00 C ATOM 910 C THR A 64 2.338 -2.102 -6.895 1.00 0.00 C ATOM 911 O THR A 64 1.295 -2.626 -6.523 1.00 0.00 O ATOM 912 CB THR A 64 3.929 -4.081 -6.889 1.00 0.00 C ATOM 913 OG1 THR A 64 4.942 -4.710 -7.644 1.00 0.00 O ATOM 914 CG2 THR A 64 2.828 -5.097 -6.739 1.00 0.00 C ATOM 0 H THR A 64 5.250 -2.038 -7.460 1.00 0.00 H new ATOM 0 HA THR A 64 2.868 -3.277 -8.565 1.00 0.00 H new ATOM 0 HB THR A 64 4.305 -3.734 -5.926 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.819 -4.392 -7.343 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.198 -5.954 -6.177 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.989 -4.649 -6.207 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.498 -5.425 -7.725 1.00 0.00 H new ATOM 922 N LEU A 65 2.582 -0.817 -6.683 1.00 0.00 N ATOM 923 CA LEU A 65 1.715 0.060 -5.938 1.00 0.00 C ATOM 924 C LEU A 65 1.235 1.152 -6.869 1.00 0.00 C ATOM 925 O LEU A 65 0.043 1.444 -6.897 1.00 0.00 O ATOM 926 CB LEU A 65 2.509 0.571 -4.730 1.00 0.00 C ATOM 927 CG LEU A 65 2.469 -0.492 -3.619 1.00 0.00 C ATOM 928 CD1 LEU A 65 3.610 -0.328 -2.619 1.00 0.00 C ATOM 929 CD2 LEU A 65 1.148 -0.386 -2.864 1.00 0.00 C ATOM 0 H LEU A 65 3.416 -0.350 -7.039 1.00 0.00 H new ATOM 0 HA LEU A 65 0.823 -0.436 -5.555 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.540 0.777 -5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.085 1.508 -4.370 1.00 0.00 H new ATOM 0 HG LEU A 65 2.573 -1.465 -4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.538 -1.102 -1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.564 -0.418 -3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.544 0.653 -2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.118 -1.139 -2.076 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.060 0.606 -2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.320 -0.550 -3.554 1.00 0.00 H new ATOM 940 N VAL A 66 2.111 1.697 -7.711 1.00 0.00 N ATOM 941 CA VAL A 66 1.741 2.689 -8.719 1.00 0.00 C ATOM 942 C VAL A 66 0.799 2.099 -9.789 1.00 0.00 C ATOM 943 O VAL A 66 0.062 2.822 -10.467 1.00 0.00 O ATOM 944 CB VAL A 66 3.048 3.273 -9.272 1.00 0.00 C ATOM 945 CG1 VAL A 66 3.748 2.316 -10.207 1.00 0.00 C ATOM 946 CG2 VAL A 66 2.805 4.628 -9.946 1.00 0.00 C ATOM 0 H VAL A 66 3.103 1.461 -7.713 1.00 0.00 H new ATOM 0 HA VAL A 66 1.153 3.498 -8.286 1.00 0.00 H new ATOM 0 HB VAL A 66 3.713 3.431 -8.423 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.668 2.772 -10.573 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.987 1.396 -9.674 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.095 2.088 -11.050 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.748 5.018 -10.329 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.103 4.504 -10.770 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.391 5.327 -9.219 1.00 0.00 H new ATOM 956 N VAL A 67 0.783 0.771 -9.921 1.00 0.00 N ATOM 957 CA VAL A 67 -0.235 0.062 -10.682 1.00 0.00 C ATOM 958 C VAL A 67 -1.591 0.129 -9.965 1.00 0.00 C ATOM 959 O VAL A 67 -2.618 0.374 -10.601 1.00 0.00 O ATOM 960 CB VAL A 67 0.257 -1.358 -10.989 1.00 0.00 C ATOM 961 CG1 VAL A 67 0.288 -2.243 -9.752 1.00 0.00 C ATOM 962 CG2 VAL A 67 -0.594 -2.005 -12.079 1.00 0.00 C ATOM 0 H VAL A 67 1.481 0.159 -9.499 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.402 0.544 -11.645 1.00 0.00 H new ATOM 0 HB VAL A 67 1.282 -1.263 -11.347 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.643 -3.237 -10.024 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.958 -1.808 -9.010 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.716 -2.319 -9.334 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.226 -3.011 -12.279 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.631 -2.058 -11.748 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.534 -1.409 -12.990 1.00 0.00 H new ATOM 972 N ILE A 68 -1.596 -0.011 -8.636 1.00 0.00 N ATOM 973 CA ILE A 68 -2.800 -0.005 -7.815 1.00 0.00 C ATOM 974 C ILE A 68 -3.400 1.409 -7.816 1.00 0.00 C ATOM 975 O ILE A 68 -4.618 1.555 -7.823 1.00 0.00 O ATOM 976 CB ILE A 68 -2.517 -0.529 -6.384 1.00 0.00 C ATOM 977 CG1 ILE A 68 -1.900 -1.952 -6.310 1.00 0.00 C ATOM 978 CG2 ILE A 68 -3.806 -0.476 -5.548 1.00 0.00 C ATOM 979 CD1 ILE A 68 -2.814 -3.109 -6.710 1.00 0.00 C ATOM 0 H ILE A 68 -0.741 -0.134 -8.093 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.533 -0.691 -8.241 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.754 0.136 -5.978 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.018 -1.976 -6.950 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.558 -2.124 -5.289 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.603 -0.845 -4.543 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.161 0.553 -5.492 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.569 -1.098 -6.016 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.272 -4.050 -6.617 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.686 -3.127 -6.056 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.138 -2.977 -7.742 1.00 0.00 H new ATOM 990 N LEU A 69 -2.580 2.464 -7.923 1.00 0.00 N ATOM 991 CA LEU A 69 -3.059 3.834 -8.135 1.00 0.00 C ATOM 992 C LEU A 69 -3.972 3.921 -9.361 1.00 0.00 C ATOM 993 O LEU A 69 -4.859 4.773 -9.390 1.00 0.00 O ATOM 994 CB LEU A 69 -1.860 4.792 -8.255 1.00 0.00 C ATOM 995 CG LEU A 69 -2.156 6.234 -8.705 1.00 0.00 C ATOM 996 CD1 LEU A 69 -2.943 7.016 -7.649 1.00 0.00 C ATOM 997 CD2 LEU A 69 -0.837 6.954 -8.998 1.00 0.00 C ATOM 0 H LEU A 69 -1.564 2.389 -7.865 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.656 4.133 -7.274 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.364 4.835 -7.286 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.149 4.358 -8.958 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.770 6.184 -9.604 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.129 8.028 -8.009 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.894 6.517 -7.460 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.367 7.060 -6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.043 7.976 -9.317 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.224 6.972 -8.097 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.303 6.428 -9.789 1.00 0.00 H new ATOM 1008 N LYS A 70 -3.783 3.072 -10.380 1.00 0.00 N ATOM 1009 CA LYS A 70 -4.798 2.891 -11.407 1.00 0.00 C ATOM 1010 C LYS A 70 -5.841 1.895 -10.915 1.00 0.00 C ATOM 1011 O LYS A 70 -6.973 2.326 -10.801 1.00 0.00 O ATOM 1012 CB LYS A 70 -4.185 2.620 -12.784 1.00 0.00 C ATOM 1013 CG LYS A 70 -5.307 2.470 -13.810 1.00 0.00 C ATOM 1014 CD LYS A 70 -4.809 2.314 -15.251 1.00 0.00 C ATOM 1015 CE LYS A 70 -6.002 2.262 -16.219 1.00 0.00 C ATOM 1016 NZ LYS A 70 -6.295 3.573 -16.831 1.00 0.00 N ATOM 0 H LYS A 70 -2.943 2.508 -10.508 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.342 3.820 -11.577 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.522 3.438 -13.068 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.579 1.714 -12.754 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.912 1.602 -13.549 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.958 3.342 -13.753 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.156 3.147 -15.511 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.216 1.404 -15.343 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.795 1.536 -17.006 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.884 1.910 -15.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.107 3.482 -17.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.520 4.262 -16.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.465 3.900 -17.366 1.00 0.00 H new ATOM 1026 N ASP A 71 -5.534 0.628 -10.624 1.00 0.00 N ATOM 1027 CA ASP A 71 -6.514 -0.423 -10.314 1.00 0.00 C ATOM 1028 C ASP A 71 -7.621 0.027 -9.331 1.00 0.00 C ATOM 1029 O ASP A 71 -8.795 -0.283 -9.552 1.00 0.00 O ATOM 1030 CB ASP A 71 -5.837 -1.679 -9.732 1.00 0.00 C ATOM 1031 CG ASP A 71 -4.942 -2.546 -10.635 1.00 0.00 C ATOM 1032 OD1 ASP A 71 -4.975 -2.469 -11.882 1.00 0.00 O ATOM 1033 OD2 ASP A 71 -4.220 -3.405 -10.066 1.00 0.00 O ATOM 0 H ASP A 71 -4.571 0.293 -10.596 1.00 0.00 H new ATOM 0 HA ASP A 71 -6.981 -0.651 -11.272 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.233 -1.360 -8.883 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.625 -2.322 -9.339 1.00 0.00 H new ATOM 1037 N ALA A 72 -7.274 0.773 -8.271 1.00 0.00 N ATOM 1038 CA ALA A 72 -8.176 1.398 -7.309 1.00 0.00 C ATOM 1039 C ALA A 72 -9.072 2.402 -8.026 1.00 0.00 C ATOM 1040 O ALA A 72 -10.291 2.274 -7.997 1.00 0.00 O ATOM 1041 CB ALA A 72 -7.364 2.081 -6.197 1.00 0.00 C ATOM 0 H ALA A 72 -6.295 0.964 -8.055 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.807 0.636 -6.851 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.044 2.545 -5.483 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.752 1.339 -5.685 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.720 2.844 -6.633 1.00 0.00 H new ATOM 1047 N LYS A 73 -8.472 3.388 -8.689 1.00 0.00 N ATOM 1048 CA LYS A 73 -9.132 4.385 -9.523 1.00 0.00 C ATOM 1049 C LYS A 73 -9.988 3.771 -10.644 1.00 0.00 C ATOM 1050 O LYS A 73 -11.004 4.372 -10.982 1.00 0.00 O ATOM 1051 CB LYS A 73 -8.070 5.382 -9.985 1.00 0.00 C ATOM 1052 CG LYS A 73 -8.625 6.411 -10.971 1.00 0.00 C ATOM 1053 CD LYS A 73 -8.364 5.980 -12.429 1.00 0.00 C ATOM 1054 CE LYS A 73 -7.454 7.031 -13.038 1.00 0.00 C ATOM 1055 NZ LYS A 73 -8.191 8.244 -13.436 1.00 0.00 N ATOM 0 H LYS A 73 -7.461 3.518 -8.656 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.878 4.929 -8.944 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.659 5.899 -9.118 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.247 4.841 -10.453 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.696 6.532 -10.811 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.164 7.381 -10.787 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.896 4.996 -12.464 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.299 5.909 -12.985 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.679 7.298 -12.320 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.950 6.612 -13.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.529 8.933 -13.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.914 7.995 -14.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.651 8.660 -12.601 1.00 0.00 H new ATOM 1065 N ILE A 74 -9.685 2.581 -11.175 1.00 0.00 N ATOM 1066 CA ILE A 74 -10.563 1.890 -12.119 1.00 0.00 C ATOM 1067 C ILE A 74 -11.901 1.608 -11.422 1.00 0.00 C ATOM 1068 O ILE A 74 -12.949 1.804 -12.031 1.00 0.00 O ATOM 1069 CB ILE A 74 -9.902 0.603 -12.682 1.00 0.00 C ATOM 1070 CG1 ILE A 74 -8.587 0.914 -13.428 1.00 0.00 C ATOM 1071 CG2 ILE A 74 -10.843 -0.153 -13.630 1.00 0.00 C ATOM 1072 CD1 ILE A 74 -7.870 -0.319 -13.984 1.00 0.00 C ATOM 0 H ILE A 74 -8.826 2.073 -10.962 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.744 2.526 -12.986 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.683 -0.026 -11.819 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.802 1.596 -14.251 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.913 1.436 -12.749 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.343 -1.047 -14.002 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.747 -0.440 -13.093 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -11.108 0.490 -14.469 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.957 -0.010 -14.492 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.619 -0.994 -13.166 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.523 -0.832 -14.690 1.00 0.00 H new ATOM 1083 N ASN A 75 -11.887 1.191 -10.150 1.00 0.00 N ATOM 1084 CA ASN A 75 -13.104 1.016 -9.353 1.00 0.00 C ATOM 1085 C ASN A 75 -13.494 2.294 -8.606 1.00 0.00 C ATOM 1086 O ASN A 75 -14.326 2.248 -7.701 1.00 0.00 O ATOM 1087 CB ASN A 75 -12.966 -0.193 -8.406 1.00 0.00 C ATOM 1088 CG ASN A 75 -14.218 -1.053 -8.355 1.00 0.00 C ATOM 1089 OD1 ASN A 75 -14.742 -1.345 -7.286 1.00 0.00 O ATOM 1090 ND2 ASN A 75 -14.711 -1.514 -9.492 1.00 0.00 N ATOM 0 H ASN A 75 -11.030 0.966 -9.645 1.00 0.00 H new ATOM 0 HA ASN A 75 -13.923 0.806 -10.041 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.124 -0.806 -8.728 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -12.735 0.163 -7.402 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -15.533 -2.117 -9.484 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -14.269 -1.266 -10.377 1.00 0.00 H new ATOM 1096 N GLY A 76 -12.876 3.425 -8.957 1.00 0.00 N ATOM 1097 CA GLY A 76 -13.101 4.725 -8.358 1.00 0.00 C ATOM 1098 C GLY A 76 -12.825 4.742 -6.861 1.00 0.00 C ATOM 1099 O GLY A 76 -13.678 5.220 -6.108 1.00 0.00 O ATOM 0 H GLY A 76 -12.177 3.451 -9.699 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.464 5.461 -8.848 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.133 5.028 -8.536 1.00 0.00 H new ATOM 1103 N LYS A 77 -11.676 4.197 -6.430 1.00 0.00 N ATOM 1104 CA LYS A 77 -11.289 4.142 -5.013 1.00 0.00 C ATOM 1105 C LYS A 77 -9.965 4.880 -4.775 1.00 0.00 C ATOM 1106 O LYS A 77 -9.266 5.254 -5.727 1.00 0.00 O ATOM 1107 CB LYS A 77 -11.258 2.685 -4.498 1.00 0.00 C ATOM 1108 CG LYS A 77 -12.320 1.763 -5.116 1.00 0.00 C ATOM 1109 CD LYS A 77 -12.908 0.657 -4.225 1.00 0.00 C ATOM 1110 CE LYS A 77 -14.387 0.472 -4.617 1.00 0.00 C ATOM 1111 NZ LYS A 77 -14.901 -0.901 -4.442 1.00 0.00 N ATOM 0 H LYS A 77 -10.988 3.781 -7.057 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.049 4.662 -4.430 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.272 2.265 -4.696 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.389 2.694 -3.416 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.143 2.386 -5.466 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.883 1.289 -5.995 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.358 -0.274 -4.359 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.823 0.929 -3.173 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.995 1.153 -4.021 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.512 0.763 -5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.521 -1.144 -5.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.104 -1.568 -4.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.441 -0.959 -3.555 1.00 0.00 H new ATOM 1121 N GLU A 78 -9.634 5.118 -3.508 1.00 0.00 N ATOM 1122 CA GLU A 78 -8.471 5.850 -3.002 1.00 0.00 C ATOM 1123 C GLU A 78 -7.280 4.911 -2.782 1.00 0.00 C ATOM 1124 O GLU A 78 -7.348 3.727 -3.106 1.00 0.00 O ATOM 1125 CB GLU A 78 -8.839 6.542 -1.671 1.00 0.00 C ATOM 1126 CG GLU A 78 -8.507 8.029 -1.545 1.00 0.00 C ATOM 1127 CD GLU A 78 -9.776 8.876 -1.639 1.00 0.00 C ATOM 1128 OE1 GLU A 78 -10.533 8.953 -0.638 1.00 0.00 O ATOM 1129 OE2 GLU A 78 -10.026 9.443 -2.728 1.00 0.00 O ATOM 0 H GLU A 78 -10.219 4.777 -2.745 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.184 6.596 -3.743 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.910 6.420 -1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.333 6.013 -0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.009 8.216 -0.594 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.811 8.319 -2.332 1.00 0.00 H new ATOM 1134 N PHE A 79 -6.184 5.437 -2.231 1.00 0.00 N ATOM 1135 CA PHE A 79 -4.969 4.728 -1.860 1.00 0.00 C ATOM 1136 C PHE A 79 -4.043 5.718 -1.130 1.00 0.00 C ATOM 1137 O PHE A 79 -3.772 6.784 -1.671 1.00 0.00 O ATOM 1138 CB PHE A 79 -4.366 4.203 -3.163 1.00 0.00 C ATOM 1139 CG PHE A 79 -2.871 4.036 -3.166 1.00 0.00 C ATOM 1140 CD1 PHE A 79 -2.281 2.939 -2.521 1.00 0.00 C ATOM 1141 CD2 PHE A 79 -2.070 5.040 -3.730 1.00 0.00 C ATOM 1142 CE1 PHE A 79 -0.886 2.851 -2.433 1.00 0.00 C ATOM 1143 CE2 PHE A 79 -0.679 4.985 -3.585 1.00 0.00 C ATOM 1144 CZ PHE A 79 -0.088 3.887 -2.949 1.00 0.00 C ATOM 0 H PHE A 79 -6.123 6.433 -2.021 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.140 3.889 -1.185 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.822 3.240 -3.391 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.639 4.884 -3.969 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.901 2.165 -2.094 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.526 5.854 -4.275 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.425 1.991 -1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -0.063 5.788 -3.963 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.987 3.835 -2.854 1.00 0.00 H new ATOM 1153 N ILE A 80 -3.599 5.428 0.097 1.00 0.00 N ATOM 1154 CA ILE A 80 -2.737 6.282 0.937 1.00 0.00 C ATOM 1155 C ILE A 80 -1.818 5.327 1.702 1.00 0.00 C ATOM 1156 O ILE A 80 -2.267 4.239 2.067 1.00 0.00 O ATOM 1157 CB ILE A 80 -3.587 7.138 1.919 1.00 0.00 C ATOM 1158 CG1 ILE A 80 -4.697 7.930 1.190 1.00 0.00 C ATOM 1159 CG2 ILE A 80 -2.679 8.117 2.693 1.00 0.00 C ATOM 1160 CD1 ILE A 80 -5.728 8.607 2.095 1.00 0.00 C ATOM 0 H ILE A 80 -3.839 4.551 0.558 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.166 6.985 0.331 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.068 6.449 2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.227 8.694 0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.221 7.251 0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.285 8.711 3.377 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.937 7.554 3.260 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.173 8.778 1.989 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.460 9.134 1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.235 7.853 2.697 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.225 9.317 2.751 1.00 0.00 H new ATOM 1171 N LEU A 81 -0.560 5.699 1.946 1.00 0.00 N ATOM 1172 CA LEU A 81 0.418 4.900 2.681 1.00 0.00 C ATOM 1173 C LEU A 81 0.634 5.502 4.056 1.00 0.00 C ATOM 1174 O LEU A 81 0.826 6.708 4.159 1.00 0.00 O ATOM 1175 CB LEU A 81 1.783 4.929 1.973 1.00 0.00 C ATOM 1176 CG LEU A 81 1.858 4.485 0.510 1.00 0.00 C ATOM 1177 CD1 LEU A 81 1.057 3.214 0.218 1.00 0.00 C ATOM 1178 CD2 LEU A 81 1.485 5.600 -0.445 1.00 0.00 C ATOM 0 H LEU A 81 -0.184 6.592 1.627 1.00 0.00 H new ATOM 0 HA LEU A 81 0.036 3.881 2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.164 5.949 2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.466 4.301 2.545 1.00 0.00 H new ATOM 0 HG LEU A 81 2.905 4.235 0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.154 2.957 -0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.439 2.395 0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.007 3.384 0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.553 5.238 -1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.465 5.927 -0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.168 6.438 -0.310 1.00 0.00 H new ATOM 1189 N SER A 82 0.732 4.672 5.090 1.00 0.00 N ATOM 1190 CA SER A 82 0.994 5.128 6.443 1.00 0.00 C ATOM 1191 C SER A 82 2.010 4.229 7.131 1.00 0.00 C ATOM 1192 O SER A 82 2.298 3.137 6.652 1.00 0.00 O ATOM 1193 CB SER A 82 -0.351 5.214 7.178 1.00 0.00 C ATOM 1194 OG SER A 82 -0.445 6.468 7.780 1.00 0.00 O ATOM 0 H SER A 82 0.631 3.660 5.008 1.00 0.00 H new ATOM 0 HA SER A 82 1.448 6.119 6.444 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.175 5.066 6.480 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.424 4.427 7.928 1.00 0.00 H new ATOM 0 HG SER A 82 -1.099 7.015 7.296 1.00 0.00 H new ATOM 1199 N SER A 83 2.568 4.700 8.243 1.00 0.00 N ATOM 1200 CA SER A 83 3.697 4.098 8.940 1.00 0.00 C ATOM 1201 C SER A 83 4.809 3.684 7.959 1.00 0.00 C ATOM 1202 O SER A 83 5.344 2.575 8.009 1.00 0.00 O ATOM 1203 CB SER A 83 3.187 2.947 9.823 1.00 0.00 C ATOM 1204 OG SER A 83 4.095 2.629 10.865 1.00 0.00 O ATOM 0 H SER A 83 2.231 5.547 8.701 1.00 0.00 H new ATOM 0 HA SER A 83 4.164 4.832 9.597 1.00 0.00 H new ATOM 0 HB2 SER A 83 2.224 3.221 10.254 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.021 2.064 9.206 1.00 0.00 H new ATOM 0 HG SER A 83 3.599 2.288 11.639 1.00 0.00 H new ATOM 1209 N LEU A 84 5.143 4.562 7.007 1.00 0.00 N ATOM 1210 CA LEU A 84 6.262 4.307 6.118 1.00 0.00 C ATOM 1211 C LEU A 84 7.537 4.458 6.930 1.00 0.00 C ATOM 1212 O LEU A 84 7.781 5.496 7.555 1.00 0.00 O ATOM 1213 CB LEU A 84 6.239 5.245 4.903 1.00 0.00 C ATOM 1214 CG LEU A 84 5.279 4.742 3.809 1.00 0.00 C ATOM 1215 CD1 LEU A 84 4.974 5.879 2.837 1.00 0.00 C ATOM 1216 CD2 LEU A 84 5.852 3.545 3.034 1.00 0.00 C ATOM 0 H LEU A 84 4.656 5.443 6.840 1.00 0.00 H new ATOM 0 HA LEU A 84 6.201 3.297 5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.937 6.243 5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.245 5.332 4.492 1.00 0.00 H new ATOM 0 HG LEU A 84 4.367 4.407 4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.295 5.523 2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.509 6.704 3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.900 6.223 2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.138 3.228 2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.787 3.836 2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.039 2.721 3.723 1.00 0.00 H new ATOM 1227 N LYS A 85 8.349 3.402 6.921 1.00 0.00 N ATOM 1228 CA LYS A 85 9.639 3.394 7.578 1.00 0.00 C ATOM 1229 C LYS A 85 10.519 4.440 6.976 1.00 0.00 C ATOM 1230 O LYS A 85 10.456 4.766 5.789 1.00 0.00 O ATOM 1231 CB LYS A 85 10.330 2.044 7.467 1.00 0.00 C ATOM 1232 CG LYS A 85 9.564 1.002 8.255 1.00 0.00 C ATOM 1233 CD LYS A 85 10.514 -0.125 8.660 1.00 0.00 C ATOM 1234 CE LYS A 85 9.622 -1.185 9.274 1.00 0.00 C ATOM 1235 NZ LYS A 85 9.575 -1.154 10.748 1.00 0.00 N ATOM 0 H LYS A 85 8.121 2.525 6.452 1.00 0.00 H new ATOM 0 HA LYS A 85 9.466 3.601 8.634 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.395 1.745 6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.351 2.117 7.842 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.119 1.454 9.141 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.745 0.605 7.655 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.055 -0.515 7.798 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.261 0.225 9.373 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.611 -1.062 8.886 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.969 -2.167 8.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.631 -1.448 11.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.291 -1.804 11.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.770 -0.188 11.081 1.00 0.00 H new ATOM 1245 N GLU A 86 11.454 4.855 7.797 1.00 0.00 N ATOM 1246 CA GLU A 86 12.331 5.957 7.450 1.00 0.00 C ATOM 1247 C GLU A 86 13.282 5.531 6.323 1.00 0.00 C ATOM 1248 O GLU A 86 13.649 6.341 5.465 1.00 0.00 O ATOM 1249 CB GLU A 86 13.079 6.396 8.719 1.00 0.00 C ATOM 1250 CG GLU A 86 13.607 7.833 8.643 1.00 0.00 C ATOM 1251 CD GLU A 86 12.786 8.861 9.431 1.00 0.00 C ATOM 1252 OE1 GLU A 86 12.343 8.575 10.564 1.00 0.00 O ATOM 1253 OE2 GLU A 86 12.659 10.006 8.941 1.00 0.00 O ATOM 0 H GLU A 86 11.631 4.447 8.715 1.00 0.00 H new ATOM 0 HA GLU A 86 11.763 6.808 7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.411 6.306 9.576 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.914 5.718 8.893 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.633 7.848 9.011 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.639 8.139 7.597 1.00 0.00 H new ATOM 1258 N SER A 87 13.608 4.234 6.275 1.00 0.00 N ATOM 1259 CA SER A 87 14.474 3.632 5.264 1.00 0.00 C ATOM 1260 C SER A 87 13.730 3.381 3.938 1.00 0.00 C ATOM 1261 O SER A 87 14.349 2.950 2.964 1.00 0.00 O ATOM 1262 CB SER A 87 15.071 2.338 5.849 1.00 0.00 C ATOM 1263 OG SER A 87 16.195 1.896 5.111 1.00 0.00 O ATOM 0 H SER A 87 13.265 3.559 6.959 1.00 0.00 H new ATOM 0 HA SER A 87 15.279 4.324 5.017 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.361 2.508 6.886 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.310 1.557 5.855 1.00 0.00 H new ATOM 0 HG SER A 87 16.050 2.072 4.158 1.00 0.00 H new ATOM 1268 N ILE A 88 12.418 3.629 3.872 1.00 0.00 N ATOM 1269 CA ILE A 88 11.560 3.294 2.738 1.00 0.00 C ATOM 1270 C ILE A 88 10.946 4.581 2.196 1.00 0.00 C ATOM 1271 O ILE A 88 10.872 4.795 0.989 1.00 0.00 O ATOM 1272 CB ILE A 88 10.472 2.296 3.169 1.00 0.00 C ATOM 1273 CG1 ILE A 88 11.025 1.030 3.876 1.00 0.00 C ATOM 1274 CG2 ILE A 88 9.613 1.952 1.949 1.00 0.00 C ATOM 1275 CD1 ILE A 88 11.937 0.128 3.047 1.00 0.00 C ATOM 0 H ILE A 88 11.911 4.083 4.632 1.00 0.00 H new ATOM 0 HA ILE A 88 12.146 2.818 1.952 1.00 0.00 H new ATOM 0 HB ILE A 88 9.856 2.775 3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.574 1.347 4.763 1.00 0.00 H new ATOM 0 HG13 ILE A 88 10.179 0.435 4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.836 1.244 2.239 1.00 0.00 H new ATOM 0 HG22 ILE A 88 9.151 2.860 1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.240 1.506 1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 88 12.257 -0.721 3.652 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.395 -0.233 2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.811 0.693 2.724 1.00 0.00 H new ATOM 1286 N SER A 89 10.571 5.479 3.097 1.00 0.00 N ATOM 1287 CA SER A 89 10.055 6.788 2.774 1.00 0.00 C ATOM 1288 C SER A 89 11.079 7.515 1.887 1.00 0.00 C ATOM 1289 O SER A 89 10.764 8.015 0.805 1.00 0.00 O ATOM 1290 CB SER A 89 9.762 7.531 4.093 1.00 0.00 C ATOM 1291 OG SER A 89 9.302 8.851 3.884 1.00 0.00 O ATOM 0 H SER A 89 10.622 5.304 4.101 1.00 0.00 H new ATOM 0 HA SER A 89 9.123 6.734 2.212 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.015 6.976 4.660 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.667 7.558 4.699 1.00 0.00 H new ATOM 0 HG SER A 89 9.129 9.278 4.749 1.00 0.00 H new ATOM 1296 N ARG A 90 12.360 7.492 2.283 1.00 0.00 N ATOM 1297 CA ARG A 90 13.413 8.022 1.416 1.00 0.00 C ATOM 1298 C ARG A 90 13.507 7.307 0.083 1.00 0.00 C ATOM 1299 O ARG A 90 13.837 7.926 -0.914 1.00 0.00 O ATOM 1300 CB ARG A 90 14.768 7.985 2.095 1.00 0.00 C ATOM 1301 CG ARG A 90 15.479 6.627 2.014 1.00 0.00 C ATOM 1302 CD ARG A 90 16.712 6.659 2.889 1.00 0.00 C ATOM 1303 NE ARG A 90 17.764 7.528 2.339 1.00 0.00 N ATOM 1304 CZ ARG A 90 17.889 8.845 2.538 1.00 0.00 C ATOM 1305 NH1 ARG A 90 17.242 9.485 3.509 1.00 0.00 N ATOM 1306 NH2 ARG A 90 18.646 9.512 1.688 1.00 0.00 N ATOM 0 H ARG A 90 12.683 7.121 3.176 1.00 0.00 H new ATOM 0 HA ARG A 90 13.128 9.056 1.222 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.408 8.744 1.645 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.643 8.254 3.144 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.808 5.832 2.339 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.756 6.409 0.983 1.00 0.00 H new ATOM 0 HD2 ARG A 90 16.439 7.008 3.885 1.00 0.00 H new ATOM 0 HD3 ARG A 90 17.101 5.647 3.001 1.00 0.00 H new ATOM 0 HE ARG A 90 18.467 7.083 1.748 1.00 0.00 H new ATOM 0 HH11 ARG A 90 16.623 8.970 4.135 1.00 0.00 H new ATOM 0 HH12 ARG A 90 17.365 10.491 3.627 1.00 0.00 H new ATOM 0 HH21 ARG A 90 19.105 9.022 0.921 1.00 0.00 H new ATOM 0 HH22 ARG A 90 18.772 10.518 1.798 1.00 0.00 H new ATOM 1317 N ILE A 91 13.303 5.997 0.051 1.00 0.00 N ATOM 1318 CA ILE A 91 13.491 5.187 -1.138 1.00 0.00 C ATOM 1319 C ILE A 91 12.496 5.678 -2.187 1.00 0.00 C ATOM 1320 O ILE A 91 12.865 5.967 -3.325 1.00 0.00 O ATOM 1321 CB ILE A 91 13.338 3.707 -0.731 1.00 0.00 C ATOM 1322 CG1 ILE A 91 14.736 3.124 -0.511 1.00 0.00 C ATOM 1323 CG2 ILE A 91 12.502 2.865 -1.708 1.00 0.00 C ATOM 1324 CD1 ILE A 91 14.663 1.684 -0.016 1.00 0.00 C ATOM 0 H ILE A 91 12.998 5.462 0.864 1.00 0.00 H new ATOM 0 HA ILE A 91 14.482 5.277 -1.584 1.00 0.00 H new ATOM 0 HB ILE A 91 12.764 3.669 0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 91 15.299 3.162 -1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 91 15.277 3.733 0.213 1.00 0.00 H new ATOM 0 HG21 ILE A 91 12.445 1.838 -1.347 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.497 3.281 -1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 91 12.970 2.878 -2.692 1.00 0.00 H new ATOM 0 HD11 ILE A 91 15.672 1.298 0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 91 14.121 1.651 0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 91 14.144 1.072 -0.753 1.00 0.00 H new ATOM 1335 N LEU A 92 11.248 5.879 -1.765 1.00 0.00 N ATOM 1336 CA LEU A 92 10.235 6.508 -2.578 1.00 0.00 C ATOM 1337 C LEU A 92 10.707 7.898 -3.012 1.00 0.00 C ATOM 1338 O LEU A 92 10.395 8.300 -4.120 1.00 0.00 O ATOM 1339 CB LEU A 92 8.910 6.532 -1.800 1.00 0.00 C ATOM 1340 CG LEU A 92 8.364 5.123 -1.497 1.00 0.00 C ATOM 1341 CD1 LEU A 92 7.345 5.194 -0.358 1.00 0.00 C ATOM 1342 CD2 LEU A 92 7.728 4.472 -2.734 1.00 0.00 C ATOM 0 H LEU A 92 10.920 5.604 -0.839 1.00 0.00 H new ATOM 0 HA LEU A 92 10.063 5.940 -3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.055 7.069 -0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.168 7.088 -2.374 1.00 0.00 H new ATOM 0 HG LEU A 92 9.207 4.500 -1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.963 4.195 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.825 5.593 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.520 5.845 -0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.357 3.481 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.900 5.089 -3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.475 4.384 -3.523 1.00 0.00 H new ATOM 1353 N LYS A 93 11.493 8.659 -2.251 1.00 0.00 N ATOM 1354 CA LYS A 93 12.026 9.913 -2.719 1.00 0.00 C ATOM 1355 C LYS A 93 13.075 9.715 -3.806 1.00 0.00 C ATOM 1356 O LYS A 93 13.004 10.371 -4.844 1.00 0.00 O ATOM 1357 CB LYS A 93 12.620 10.688 -1.537 1.00 0.00 C ATOM 1358 CG LYS A 93 12.508 12.127 -1.992 1.00 0.00 C ATOM 1359 CD LYS A 93 13.401 13.126 -1.259 1.00 0.00 C ATOM 1360 CE LYS A 93 14.888 12.959 -1.592 1.00 0.00 C ATOM 1361 NZ LYS A 93 15.179 13.246 -3.012 1.00 0.00 N ATOM 0 H LYS A 93 11.770 8.415 -1.300 1.00 0.00 H new ATOM 0 HA LYS A 93 11.210 10.485 -3.161 1.00 0.00 H new ATOM 0 HB2 LYS A 93 12.065 10.510 -0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.655 10.403 -1.345 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.742 12.171 -3.056 1.00 0.00 H new ATOM 0 HG3 LYS A 93 11.471 12.444 -1.880 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.089 14.139 -1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.260 13.010 -0.184 1.00 0.00 H new ATOM 0 HE2 LYS A 93 15.477 13.625 -0.961 1.00 0.00 H new ATOM 0 HE3 LYS A 93 15.199 11.941 -1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 16.207 13.320 -3.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.806 12.477 -3.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.728 14.143 -3.284 1.00 0.00 H new ATOM 1371 N LEU A 94 14.047 8.838 -3.571 1.00 0.00 N ATOM 1372 CA LEU A 94 15.142 8.515 -4.470 1.00 0.00 C ATOM 1373 C LEU A 94 14.640 8.133 -5.871 1.00 0.00 C ATOM 1374 O LEU A 94 15.378 8.325 -6.843 1.00 0.00 O ATOM 1375 CB LEU A 94 15.946 7.376 -3.819 1.00 0.00 C ATOM 1376 CG LEU A 94 17.036 7.783 -2.800 1.00 0.00 C ATOM 1377 CD1 LEU A 94 18.341 8.091 -3.537 1.00 0.00 C ATOM 1378 CD2 LEU A 94 16.774 8.962 -1.847 1.00 0.00 C ATOM 0 H LEU A 94 14.091 8.307 -2.701 1.00 0.00 H new ATOM 0 HA LEU A 94 15.777 9.388 -4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 94 15.245 6.709 -3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 94 16.422 6.800 -4.613 1.00 0.00 H new ATOM 0 HG LEU A 94 17.064 6.907 -2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 94 19.107 8.377 -2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 94 18.669 7.206 -4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 94 18.178 8.909 -4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 94 17.641 9.109 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 94 16.597 9.867 -2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 94 15.899 8.747 -1.234 1.00 0.00 H new ATOM 1389 N THR A 95 13.391 7.676 -5.991 1.00 0.00 N ATOM 1390 CA THR A 95 12.744 7.286 -7.241 1.00 0.00 C ATOM 1391 C THR A 95 11.480 8.131 -7.517 1.00 0.00 C ATOM 1392 O THR A 95 10.561 7.691 -8.196 1.00 0.00 O ATOM 1393 CB THR A 95 12.521 5.754 -7.224 1.00 0.00 C ATOM 1394 OG1 THR A 95 13.556 5.086 -6.512 1.00 0.00 O ATOM 1395 CG2 THR A 95 12.521 5.148 -8.628 1.00 0.00 C ATOM 0 H THR A 95 12.779 7.564 -5.183 1.00 0.00 H new ATOM 0 HA THR A 95 13.387 7.504 -8.094 1.00 0.00 H new ATOM 0 HB THR A 95 11.551 5.616 -6.747 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.386 4.121 -6.517 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.361 4.072 -8.560 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.722 5.597 -9.218 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.480 5.342 -9.108 1.00 0.00 H new ATOM 1403 N HIS A 96 11.427 9.374 -7.018 1.00 0.00 N ATOM 1404 CA HIS A 96 10.382 10.390 -7.238 1.00 0.00 C ATOM 1405 C HIS A 96 8.952 9.871 -7.094 1.00 0.00 C ATOM 1406 O HIS A 96 8.069 10.198 -7.887 1.00 0.00 O ATOM 1407 CB HIS A 96 10.502 11.058 -8.618 1.00 0.00 C ATOM 1408 CG HIS A 96 11.917 11.221 -9.104 1.00 0.00 C ATOM 1409 ND1 HIS A 96 12.893 12.040 -8.563 1.00 0.00 N ATOM 1410 CD2 HIS A 96 12.495 10.445 -10.070 1.00 0.00 C ATOM 1411 CE1 HIS A 96 14.040 11.780 -9.212 1.00 0.00 C ATOM 1412 NE2 HIS A 96 13.822 10.819 -10.129 1.00 0.00 N ATOM 0 H HIS A 96 12.165 9.723 -6.406 1.00 0.00 H new ATOM 0 HA HIS A 96 10.563 11.113 -6.443 1.00 0.00 H new ATOM 0 HB2 HIS A 96 9.946 10.466 -9.345 1.00 0.00 H new ATOM 0 HB3 HIS A 96 10.029 12.039 -8.577 1.00 0.00 H new ATOM 0 HD2 HIS A 96 12.009 9.689 -10.669 1.00 0.00 H new ATOM 0 HE1 HIS A 96 14.987 12.265 -9.027 1.00 0.00 H new ATOM 0 HE2 HIS A 96 14.521 10.432 -10.762 1.00 0.00 H new ATOM 1420 N LEU A 97 8.727 9.092 -6.058 1.00 0.00 N ATOM 1421 CA LEU A 97 7.549 8.307 -5.769 1.00 0.00 C ATOM 1422 C LEU A 97 6.864 8.902 -4.552 1.00 0.00 C ATOM 1423 O LEU A 97 5.662 9.121 -4.550 1.00 0.00 O ATOM 1424 CB LEU A 97 8.018 6.857 -5.514 1.00 0.00 C ATOM 1425 CG LEU A 97 7.453 5.827 -6.484 1.00 0.00 C ATOM 1426 CD1 LEU A 97 5.946 5.747 -6.344 1.00 0.00 C ATOM 1427 CD2 LEU A 97 7.841 6.091 -7.939 1.00 0.00 C ATOM 0 H LEU A 97 9.432 8.983 -5.329 1.00 0.00 H new ATOM 0 HA LEU A 97 6.833 8.310 -6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 97 9.106 6.827 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.739 6.572 -4.499 1.00 0.00 H new ATOM 0 HG LEU A 97 7.898 4.869 -6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.554 5.008 -7.043 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.690 5.455 -5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.508 6.721 -6.563 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.406 5.321 -8.577 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.467 7.068 -8.244 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.927 6.072 -8.035 1.00 0.00 H new ATOM 1438 N ASP A 98 7.643 9.274 -3.545 1.00 0.00 N ATOM 1439 CA ASP A 98 7.183 10.000 -2.364 1.00 0.00 C ATOM 1440 C ASP A 98 6.495 11.305 -2.776 1.00 0.00 C ATOM 1441 O ASP A 98 5.475 11.687 -2.206 1.00 0.00 O ATOM 1442 CB ASP A 98 8.412 10.250 -1.489 1.00 0.00 C ATOM 1443 CG ASP A 98 8.292 11.432 -0.537 1.00 0.00 C ATOM 1444 OD1 ASP A 98 8.645 12.558 -0.944 1.00 0.00 O ATOM 1445 OD2 ASP A 98 8.026 11.206 0.665 1.00 0.00 O ATOM 0 H ASP A 98 8.643 9.074 -3.525 1.00 0.00 H new ATOM 0 HA ASP A 98 6.443 9.427 -1.805 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.613 9.351 -0.906 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.274 10.410 -2.136 1.00 0.00 H new ATOM 1449 N LYS A 99 6.995 11.944 -3.841 1.00 0.00 N ATOM 1450 CA LYS A 99 6.459 13.196 -4.361 1.00 0.00 C ATOM 1451 C LYS A 99 5.095 13.082 -5.048 1.00 0.00 C ATOM 1452 O LYS A 99 4.507 14.105 -5.406 1.00 0.00 O ATOM 1453 CB LYS A 99 7.516 13.921 -5.179 1.00 0.00 C ATOM 1454 CG LYS A 99 7.769 13.332 -6.536 1.00 0.00 C ATOM 1455 CD LYS A 99 9.050 13.999 -7.079 1.00 0.00 C ATOM 1456 CE LYS A 99 8.998 14.403 -8.560 1.00 0.00 C ATOM 1457 NZ LYS A 99 8.407 15.741 -8.779 1.00 0.00 N ATOM 0 H LYS A 99 7.795 11.596 -4.369 1.00 0.00 H new ATOM 0 HA LYS A 99 6.223 13.821 -3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.213 14.961 -5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.451 13.924 -4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.894 12.251 -6.471 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.925 13.516 -7.201 1.00 0.00 H new ATOM 0 HD2 LYS A 99 9.258 14.888 -6.483 1.00 0.00 H new ATOM 0 HD3 LYS A 99 9.886 13.315 -6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 99 10.008 14.388 -8.970 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.419 13.662 -9.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.400 15.955 -9.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.432 15.754 -8.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.972 16.456 -8.278 1.00 0.00 H new ATOM 1467 N ILE A 100 4.585 11.870 -5.258 1.00 0.00 N ATOM 1468 CA ILE A 100 3.420 11.598 -6.090 1.00 0.00 C ATOM 1469 C ILE A 100 2.431 10.640 -5.408 1.00 0.00 C ATOM 1470 O ILE A 100 1.240 10.690 -5.708 1.00 0.00 O ATOM 1471 CB ILE A 100 3.876 11.068 -7.472 1.00 0.00 C ATOM 1472 CG1 ILE A 100 4.955 9.986 -7.400 1.00 0.00 C ATOM 1473 CG2 ILE A 100 4.384 12.186 -8.408 1.00 0.00 C ATOM 1474 CD1 ILE A 100 5.228 9.302 -8.745 1.00 0.00 C ATOM 0 H ILE A 100 4.984 11.028 -4.842 1.00 0.00 H new ATOM 0 HA ILE A 100 2.880 12.533 -6.237 1.00 0.00 H new ATOM 0 HB ILE A 100 2.967 10.627 -7.881 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.880 10.431 -7.034 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.654 9.232 -6.673 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.689 11.752 -9.360 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.586 12.909 -8.577 1.00 0.00 H new ATOM 0 HG23 ILE A 100 5.236 12.687 -7.948 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.004 8.547 -8.618 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.315 8.827 -9.104 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.560 10.045 -9.470 1.00 0.00 H new ATOM 1485 N PHE A 101 2.893 9.781 -4.499 1.00 0.00 N ATOM 1486 CA PHE A 101 2.085 8.950 -3.609 1.00 0.00 C ATOM 1487 C PHE A 101 1.490 9.813 -2.486 1.00 0.00 C ATOM 1488 O PHE A 101 1.550 11.045 -2.569 1.00 0.00 O ATOM 1489 CB PHE A 101 3.007 7.841 -3.077 1.00 0.00 C ATOM 1490 CG PHE A 101 3.115 6.591 -3.931 1.00 0.00 C ATOM 1491 CD1 PHE A 101 2.875 6.611 -5.317 1.00 0.00 C ATOM 1492 CD2 PHE A 101 3.422 5.367 -3.315 1.00 0.00 C ATOM 1493 CE1 PHE A 101 2.952 5.446 -6.071 1.00 0.00 C ATOM 1494 CE2 PHE A 101 3.472 4.186 -4.062 1.00 0.00 C ATOM 1495 CZ PHE A 101 3.268 4.247 -5.442 1.00 0.00 C ATOM 0 H PHE A 101 3.893 9.640 -4.357 1.00 0.00 H new ATOM 0 HA PHE A 101 1.239 8.498 -4.126 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.006 8.257 -2.952 1.00 0.00 H new ATOM 0 HB3 PHE A 101 2.656 7.550 -2.087 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.628 7.544 -5.802 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.621 5.337 -2.254 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.768 5.472 -7.135 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.666 3.240 -3.578 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.357 3.346 -6.031 1.00 0.00 H new ATOM 1504 N LYS A 102 0.898 9.211 -1.446 1.00 0.00 N ATOM 1505 CA LYS A 102 0.417 9.982 -0.295 1.00 0.00 C ATOM 1506 C LYS A 102 0.861 9.310 0.971 1.00 0.00 C ATOM 1507 O LYS A 102 0.737 8.094 1.081 1.00 0.00 O ATOM 1508 CB LYS A 102 -1.106 10.192 -0.315 1.00 0.00 C ATOM 1509 CG LYS A 102 -1.489 11.248 0.743 1.00 0.00 C ATOM 1510 CD LYS A 102 -2.747 12.083 0.479 1.00 0.00 C ATOM 1511 CE LYS A 102 -3.982 11.446 1.122 1.00 0.00 C ATOM 1512 NZ LYS A 102 -5.046 12.437 1.373 1.00 0.00 N ATOM 0 H LYS A 102 0.743 8.205 -1.379 1.00 0.00 H new ATOM 0 HA LYS A 102 0.854 10.979 -0.350 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.427 10.519 -1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -1.617 9.252 -0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.617 10.738 1.698 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.648 11.932 0.857 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.607 13.090 0.873 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -2.903 12.180 -0.595 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.365 10.660 0.472 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.698 10.972 2.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.864 11.965 1.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.690 13.174 2.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.335 12.871 0.473 1.00 0.00 H new ATOM 1522 N ILE A 103 1.375 10.103 1.900 1.00 0.00 N ATOM 1523 CA ILE A 103 2.050 9.610 3.077 1.00 0.00 C ATOM 1524 C ILE A 103 1.361 10.195 4.303 1.00 0.00 C ATOM 1525 O ILE A 103 1.210 11.417 4.423 1.00 0.00 O ATOM 1526 CB ILE A 103 3.567 9.893 3.004 1.00 0.00 C ATOM 1527 CG1 ILE A 103 4.216 9.231 1.760 1.00 0.00 C ATOM 1528 CG2 ILE A 103 4.243 9.353 4.278 1.00 0.00 C ATOM 1529 CD1 ILE A 103 4.431 10.198 0.586 1.00 0.00 C ATOM 0 H ILE A 103 1.331 11.121 1.850 1.00 0.00 H new ATOM 0 HA ILE A 103 1.976 8.525 3.146 1.00 0.00 H new ATOM 0 HB ILE A 103 3.707 10.971 2.922 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.177 8.803 2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.586 8.406 1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 103 5.314 9.550 4.233 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.820 9.848 5.152 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.074 8.279 4.352 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.888 9.663 -0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.471 10.607 0.271 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.087 11.011 0.899 1.00 0.00 H new ATOM 1540 N THR A 104 0.986 9.313 5.217 1.00 0.00 N ATOM 1541 CA THR A 104 0.444 9.594 6.527 1.00 0.00 C ATOM 1542 C THR A 104 1.308 8.916 7.578 1.00 0.00 C ATOM 1543 O THR A 104 2.273 8.201 7.292 1.00 0.00 O ATOM 1544 CB THR A 104 -1.058 9.242 6.550 1.00 0.00 C ATOM 1545 OG1 THR A 104 -1.379 8.049 5.872 1.00 0.00 O ATOM 1546 CG2 THR A 104 -1.856 10.331 5.840 1.00 0.00 C ATOM 0 H THR A 104 1.060 8.310 5.044 1.00 0.00 H new ATOM 0 HA THR A 104 0.481 10.656 6.772 1.00 0.00 H new ATOM 0 HB THR A 104 -1.303 9.137 7.607 1.00 0.00 H new ATOM 0 HG1 THR A 104 -2.344 7.890 5.929 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.916 10.077 5.860 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.702 11.284 6.347 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.521 10.412 4.806 1.00 0.00 H new ATOM 1554 N ASP A 105 0.991 9.210 8.827 1.00 0.00 N ATOM 1555 CA ASP A 105 1.639 8.655 9.992 1.00 0.00 C ATOM 1556 C ASP A 105 0.756 7.488 10.350 1.00 0.00 C ATOM 1557 O ASP A 105 1.057 6.336 10.046 1.00 0.00 O ATOM 1558 CB ASP A 105 1.667 9.674 11.148 1.00 0.00 C ATOM 1559 CG ASP A 105 2.981 10.415 11.330 1.00 0.00 C ATOM 1560 OD1 ASP A 105 4.022 9.986 10.765 1.00 0.00 O ATOM 1561 OD2 ASP A 105 2.970 11.416 12.071 1.00 0.00 O ATOM 0 H ASP A 105 0.247 9.867 9.061 1.00 0.00 H new ATOM 0 HA ASP A 105 2.677 8.378 9.807 1.00 0.00 H new ATOM 0 HB2 ASP A 105 0.876 10.406 10.984 1.00 0.00 H new ATOM 0 HB3 ASP A 105 1.432 9.152 12.076 1.00 0.00 H new ATOM 1565 N THR A 106 -0.419 7.821 10.853 1.00 0.00 N ATOM 1566 CA THR A 106 -1.442 6.900 11.259 1.00 0.00 C ATOM 1567 C THR A 106 -2.389 6.694 10.093 1.00 0.00 C ATOM 1568 O THR A 106 -2.638 7.585 9.278 1.00 0.00 O ATOM 1569 CB THR A 106 -2.190 7.508 12.452 1.00 0.00 C ATOM 1570 OG1 THR A 106 -2.460 8.875 12.224 1.00 0.00 O ATOM 1571 CG2 THR A 106 -1.371 7.394 13.725 1.00 0.00 C ATOM 0 H THR A 106 -0.690 8.794 10.993 1.00 0.00 H new ATOM 0 HA THR A 106 -1.017 5.940 11.551 1.00 0.00 H new ATOM 0 HB THR A 106 -3.122 6.954 12.564 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.939 9.247 12.994 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.925 7.833 14.555 1.00 0.00 H new ATOM 0 HG22 THR A 106 -1.172 6.343 13.937 1.00 0.00 H new ATOM 0 HG23 THR A 106 -0.427 7.924 13.599 1.00 0.00 H new ATOM 1579 N VAL A 107 -3.022 5.533 10.085 1.00 0.00 N ATOM 1580 CA VAL A 107 -4.143 5.241 9.218 1.00 0.00 C ATOM 1581 C VAL A 107 -5.355 6.106 9.609 1.00 0.00 C ATOM 1582 O VAL A 107 -6.333 6.195 8.874 1.00 0.00 O ATOM 1583 CB VAL A 107 -4.421 3.727 9.300 1.00 0.00 C ATOM 1584 CG1 VAL A 107 -3.223 2.929 8.755 1.00 0.00 C ATOM 1585 CG2 VAL A 107 -4.680 3.247 10.740 1.00 0.00 C ATOM 0 H VAL A 107 -2.764 4.756 10.693 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.922 5.491 8.180 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.316 3.555 8.702 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.436 1.862 8.820 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.048 3.201 7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.335 3.158 9.344 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.870 2.174 10.737 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.807 3.460 11.357 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.547 3.768 11.147 1.00 0.00 H new ATOM 1595 N GLU A 108 -5.302 6.723 10.791 1.00 0.00 N ATOM 1596 CA GLU A 108 -6.229 7.744 11.285 1.00 0.00 C ATOM 1597 C GLU A 108 -5.996 9.111 10.622 1.00 0.00 C ATOM 1598 O GLU A 108 -6.913 9.927 10.588 1.00 0.00 O ATOM 1599 CB GLU A 108 -6.102 7.857 12.803 1.00 0.00 C ATOM 1600 CG GLU A 108 -6.806 6.672 13.476 1.00 0.00 C ATOM 1601 CD GLU A 108 -8.300 6.869 13.732 1.00 0.00 C ATOM 1602 OE1 GLU A 108 -8.711 7.879 14.361 1.00 0.00 O ATOM 1603 OE2 GLU A 108 -9.084 5.989 13.321 1.00 0.00 O ATOM 0 H GLU A 108 -4.569 6.512 11.468 1.00 0.00 H new ATOM 0 HA GLU A 108 -7.240 7.434 11.022 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.050 7.876 13.088 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -6.542 8.794 13.145 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -6.673 5.788 12.852 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.313 6.468 14.427 1.00 0.00 H new ATOM 1608 N GLU A 109 -4.803 9.378 10.076 1.00 0.00 N ATOM 1609 CA GLU A 109 -4.468 10.640 9.410 1.00 0.00 C ATOM 1610 C GLU A 109 -4.990 10.680 7.959 1.00 0.00 C ATOM 1611 O GLU A 109 -4.752 11.666 7.254 1.00 0.00 O ATOM 1612 CB GLU A 109 -2.933 10.846 9.430 1.00 0.00 C ATOM 1613 CG GLU A 109 -2.474 12.201 9.977 1.00 0.00 C ATOM 1614 CD GLU A 109 -2.393 12.195 11.503 1.00 0.00 C ATOM 1615 OE1 GLU A 109 -3.456 12.125 12.164 1.00 0.00 O ATOM 1616 OE2 GLU A 109 -1.269 12.288 12.056 1.00 0.00 O ATOM 0 H GLU A 109 -4.031 8.711 10.086 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.956 11.448 9.955 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.482 10.056 10.031 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.552 10.732 8.415 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -1.497 12.450 9.561 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.166 12.978 9.652 1.00 0.00 H new ATOM 1621 N ALA A 110 -5.618 9.598 7.484 1.00 0.00 N ATOM 1622 CA ALA A 110 -5.908 9.351 6.073 1.00 0.00 C ATOM 1623 C ALA A 110 -7.358 9.638 5.695 1.00 0.00 C ATOM 1624 O ALA A 110 -7.553 10.488 4.792 1.00 0.00 O ATOM 1625 CB ALA A 110 -5.574 7.897 5.802 1.00 0.00 C ATOM 0 H ALA A 110 -5.947 8.849 8.093 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.309 10.029 5.466 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.776 7.666 4.756 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.520 7.720 6.016 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -6.186 7.258 6.439 1.00 0.00 H new TER 1631 ALA A 110