USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 610 hydrogens (32 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 NoAdj-H: A 15 HIS HE2 : A 15 HIS NE2 : A 90 HECFE :(H bumps) USER MOD NoAdj-H: A 90 HEC HAC : A 90 HEC CAC : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 90 HEC HAB : A 90 HEC CAB : A 11 CYS SG :(H bumps) USER MOD Set 1.1: A 16 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 17 MET CE :methyl 160:sc=-0.00794 (180deg=-0.281) USER MOD Single : A 1 GLN : amide:sc= -0.0763 K(o=-0.076,f=-4.1!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -31:sc= 0.638 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0797 USER MOD Single : A 26 HIS : no HD1:sc= -0.575 X(o=-0.57,f=-0.95) USER MOD Single : A 27 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.44) USER MOD Single : A 28 THR OG1 : rot -83:sc= 1.26 USER MOD Single : A 37 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.428) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.376 F(o=-3.2,f=-0.38) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 82:sc= 0.00117 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 87:sc= 0.296 USER MOD Single : A 51 ASN :FLIP amide:sc= 0.123 F(o=-0.97,f=0.12) USER MOD Single : A 53 MET CE :methyl -178:sc= -1.98 (180deg=-2.04) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 8:sc= 0.697 USER MOD Single : A 68 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00102) USER MOD Single : A 74 MET CE :methyl -127:sc=-0.00294 (180deg=-0.0959) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -120:sc= 1.91 (180deg=-0.526!) USER MOD Single : A 90 HEC O2A : rot 167:sc= -0.538 USER MOD Single : A 90 HEC O2D : rot 177:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -3 6.148 0.570 -14.401 1.00 10.00 N ATOM 2 CA ALA A -3 5.022 0.265 -15.321 1.00 10.00 C ATOM 3 C ALA A -3 4.934 -1.226 -15.678 1.00 10.00 C ATOM 4 O ALA A -3 4.617 -1.562 -16.814 1.00 10.00 O ATOM 5 CB ALA A -3 5.115 1.144 -16.577 1.00 10.00 C ATOM 0 H1 ALA A -3 6.160 1.589 -14.193 1.00 10.00 H new ATOM 0 H2 ALA A -3 6.027 0.038 -13.516 1.00 10.00 H new ATOM 0 H3 ALA A -3 7.046 0.297 -14.849 1.00 10.00 H new ATOM 0 HA ALA A -3 4.096 0.500 -14.797 1.00 10.00 H new ATOM 0 HB1 ALA A -3 4.285 0.913 -17.245 1.00 10.00 H new ATOM 0 HB2 ALA A -3 5.068 2.195 -16.290 1.00 10.00 H new ATOM 0 HB3 ALA A -3 6.058 0.949 -17.088 1.00 10.00 H new ATOM 13 N ASP A -2 5.226 -2.102 -14.711 1.00 10.00 N ATOM 14 CA ASP A -2 5.363 -3.529 -14.945 1.00 10.00 C ATOM 15 C ASP A -2 5.386 -4.281 -13.603 1.00 10.00 C ATOM 16 O ASP A -2 6.125 -3.887 -12.697 1.00 10.00 O ATOM 17 CB ASP A -2 6.640 -3.785 -15.752 1.00 10.00 C ATOM 18 CG ASP A -2 6.743 -5.243 -16.160 1.00 10.00 C ATOM 19 OD1 ASP A -2 5.678 -5.897 -16.164 1.00 10.00 O ATOM 20 OD2 ASP A -2 7.883 -5.659 -16.451 1.00 10.00 O ATOM 0 H ASP A -2 5.374 -1.831 -13.739 1.00 10.00 H new ATOM 0 HA ASP A -2 4.512 -3.898 -15.517 1.00 10.00 H new ATOM 0 HB2 ASP A -2 6.645 -3.154 -16.641 1.00 10.00 H new ATOM 0 HB3 ASP A -2 7.511 -3.507 -15.159 1.00 10.00 H new ATOM 25 N LEU A -1 4.549 -5.307 -13.435 1.00 10.00 N ATOM 26 CA LEU A -1 4.531 -6.112 -12.219 1.00 10.00 C ATOM 27 C LEU A -1 5.711 -7.092 -12.196 1.00 10.00 C ATOM 28 O LEU A -1 5.531 -8.306 -12.265 1.00 10.00 O ATOM 29 CB LEU A -1 3.194 -6.840 -12.089 1.00 10.00 C ATOM 30 CG LEU A -1 3.133 -7.656 -10.786 1.00 10.00 C ATOM 31 CD1 LEU A -1 2.369 -6.902 -9.710 1.00 10.00 C ATOM 32 CD2 LEU A -1 2.473 -9.007 -11.054 1.00 10.00 C ATOM 0 H LEU A -1 3.869 -5.600 -14.137 1.00 10.00 H new ATOM 0 HA LEU A -1 4.641 -5.452 -11.359 1.00 10.00 H new ATOM 0 HB2 LEU A -1 2.379 -6.116 -12.107 1.00 10.00 H new ATOM 0 HB3 LEU A -1 3.052 -7.502 -12.943 1.00 10.00 H new ATOM 0 HG LEU A -1 4.150 -7.817 -10.429 1.00 10.00 H new ATOM 0 HD11 LEU A -1 2.339 -7.499 -8.799 1.00 10.00 H new ATOM 0 HD12 LEU A -1 2.867 -5.954 -9.507 1.00 10.00 H new ATOM 0 HD13 LEU A -1 1.352 -6.711 -10.052 1.00 10.00 H new ATOM 0 HD21 LEU A -1 2.432 -9.582 -10.129 1.00 10.00 H new ATOM 0 HD22 LEU A -1 1.462 -8.850 -11.429 1.00 10.00 H new ATOM 0 HD23 LEU A -1 3.054 -9.555 -11.796 1.00 10.00 H new ATOM 44 N GLN A 1 6.919 -6.545 -12.072 1.00 10.00 N ATOM 45 CA GLN A 1 8.157 -7.320 -12.018 1.00 10.00 C ATOM 46 C GLN A 1 8.851 -7.284 -10.651 1.00 10.00 C ATOM 47 O GLN A 1 9.708 -8.120 -10.379 1.00 10.00 O ATOM 48 CB GLN A 1 9.077 -6.864 -13.166 1.00 10.00 C ATOM 49 CG GLN A 1 9.489 -8.014 -14.096 1.00 10.00 C ATOM 50 CD GLN A 1 8.342 -8.582 -14.932 1.00 10.00 C ATOM 51 OE1 GLN A 1 7.171 -8.343 -14.684 1.00 10.00 O ATOM 52 NE2 GLN A 1 8.662 -9.396 -15.929 1.00 10.00 N ATOM 0 H GLN A 1 7.067 -5.538 -12.005 1.00 10.00 H new ATOM 0 HA GLN A 1 7.906 -8.372 -12.153 1.00 10.00 H new ATOM 0 HB2 GLN A 1 8.568 -6.097 -13.749 1.00 10.00 H new ATOM 0 HB3 GLN A 1 9.972 -6.404 -12.747 1.00 10.00 H new ATOM 0 HG2 GLN A 1 10.273 -7.662 -14.766 1.00 10.00 H new ATOM 0 HG3 GLN A 1 9.919 -8.816 -13.496 1.00 10.00 H new ATOM 0 HE21 GLN A 1 9.642 -9.593 -16.132 1.00 10.00 H new ATOM 0 HE22 GLN A 1 7.928 -9.825 -16.492 1.00 10.00 H new ATOM 61 N ASP A 2 8.518 -6.285 -9.831 1.00 10.00 N ATOM 62 CA ASP A 2 9.189 -5.998 -8.568 1.00 10.00 C ATOM 63 C ASP A 2 8.153 -5.604 -7.484 1.00 10.00 C ATOM 64 O ASP A 2 7.078 -6.192 -7.382 1.00 10.00 O ATOM 65 CB ASP A 2 10.271 -4.938 -8.889 1.00 10.00 C ATOM 66 CG ASP A 2 11.281 -4.688 -7.775 1.00 10.00 C ATOM 67 OD1 ASP A 2 12.275 -5.436 -7.714 1.00 10.00 O ATOM 68 OD2 ASP A 2 10.995 -3.758 -6.985 1.00 10.00 O ATOM 0 H ASP A 2 7.755 -5.639 -10.035 1.00 10.00 H new ATOM 0 HA ASP A 2 9.689 -6.863 -8.132 1.00 10.00 H new ATOM 0 HB2 ASP A 2 10.810 -5.251 -9.783 1.00 10.00 H new ATOM 0 HB3 ASP A 2 9.776 -3.997 -9.128 1.00 10.00 H new ATOM 73 N ALA A 3 8.479 -4.580 -6.704 1.00 10.00 N ATOM 74 CA ALA A 3 7.802 -4.029 -5.548 1.00 10.00 C ATOM 75 C ALA A 3 8.052 -2.517 -5.487 1.00 10.00 C ATOM 76 O ALA A 3 7.101 -1.736 -5.401 1.00 10.00 O ATOM 77 CB ALA A 3 8.386 -4.711 -4.321 1.00 10.00 C ATOM 0 H ALA A 3 9.332 -4.055 -6.897 1.00 10.00 H new ATOM 0 HA ALA A 3 6.726 -4.195 -5.600 1.00 10.00 H new ATOM 0 HB1 ALA A 3 7.902 -4.324 -3.424 1.00 10.00 H new ATOM 0 HB2 ALA A 3 8.219 -5.786 -4.388 1.00 10.00 H new ATOM 0 HB3 ALA A 3 9.457 -4.513 -4.270 1.00 10.00 H new ATOM 83 N GLU A 4 9.321 -2.093 -5.605 1.00 10.00 N ATOM 84 CA GLU A 4 9.660 -0.685 -5.752 1.00 10.00 C ATOM 85 C GLU A 4 8.899 -0.077 -6.927 1.00 10.00 C ATOM 86 O GLU A 4 8.202 0.923 -6.785 1.00 10.00 O ATOM 87 CB GLU A 4 11.174 -0.513 -5.917 1.00 10.00 C ATOM 88 CG GLU A 4 11.517 0.965 -6.191 1.00 10.00 C ATOM 89 CD GLU A 4 13.005 1.283 -6.116 1.00 10.00 C ATOM 90 OE1 GLU A 4 13.692 0.665 -5.275 1.00 10.00 O ATOM 91 OE2 GLU A 4 13.419 2.164 -6.900 1.00 10.00 O ATOM 0 H GLU A 4 10.128 -2.717 -5.600 1.00 10.00 H new ATOM 0 HA GLU A 4 9.362 -0.154 -4.848 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.686 -0.851 -5.016 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.530 -1.135 -6.738 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.148 1.235 -7.181 1.00 10.00 H new ATOM 0 HG3 GLU A 4 10.986 1.589 -5.472 1.00 10.00 H new ATOM 98 N ALA A 5 8.961 -0.731 -8.088 1.00 10.00 N ATOM 99 CA ALA A 5 8.346 -0.222 -9.309 1.00 10.00 C ATOM 100 C ALA A 5 6.819 -0.238 -9.214 1.00 10.00 C ATOM 101 O ALA A 5 6.143 0.609 -9.799 1.00 10.00 O ATOM 102 CB ALA A 5 8.825 -1.056 -10.496 1.00 10.00 C ATOM 0 H ALA A 5 9.438 -1.625 -8.206 1.00 10.00 H new ATOM 0 HA ALA A 5 8.647 0.816 -9.449 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.369 -0.681 -11.412 1.00 10.00 H new ATOM 0 HB2 ALA A 5 9.910 -0.986 -10.576 1.00 10.00 H new ATOM 0 HB3 ALA A 5 8.539 -2.097 -10.348 1.00 10.00 H new ATOM 108 N ILE A 6 6.274 -1.184 -8.445 1.00 10.00 N ATOM 109 CA ILE A 6 4.844 -1.303 -8.221 1.00 10.00 C ATOM 110 C ILE A 6 4.399 -0.109 -7.382 1.00 10.00 C ATOM 111 O ILE A 6 3.536 0.644 -7.825 1.00 10.00 O ATOM 112 CB ILE A 6 4.533 -2.646 -7.534 1.00 10.00 C ATOM 113 CG1 ILE A 6 4.568 -3.825 -8.519 1.00 10.00 C ATOM 114 CG2 ILE A 6 3.149 -2.655 -6.863 1.00 10.00 C ATOM 115 CD1 ILE A 6 5.867 -3.924 -9.318 1.00 10.00 C ATOM 0 H ILE A 6 6.824 -1.892 -7.959 1.00 10.00 H new ATOM 0 HA ILE A 6 4.295 -1.295 -9.162 1.00 10.00 H new ATOM 0 HB ILE A 6 5.313 -2.760 -6.782 1.00 10.00 H new ATOM 0 HG12 ILE A 6 4.421 -4.753 -7.966 1.00 10.00 H new ATOM 0 HG13 ILE A 6 3.732 -3.732 -9.212 1.00 10.00 H new ATOM 0 HG21 ILE A 6 2.979 -3.624 -6.393 1.00 10.00 H new ATOM 0 HG22 ILE A 6 3.107 -1.872 -6.106 1.00 10.00 H new ATOM 0 HG23 ILE A 6 2.379 -2.475 -7.614 1.00 10.00 H new ATOM 0 HD11 ILE A 6 5.816 -4.780 -9.991 1.00 10.00 H new ATOM 0 HD12 ILE A 6 6.007 -3.013 -9.900 1.00 10.00 H new ATOM 0 HD13 ILE A 6 6.706 -4.050 -8.634 1.00 10.00 H new ATOM 127 N TYR A 7 5.038 0.157 -6.235 1.00 10.00 N ATOM 128 CA TYR A 7 4.590 1.299 -5.444 1.00 10.00 C ATOM 129 C TYR A 7 4.895 2.615 -6.163 1.00 10.00 C ATOM 130 O TYR A 7 4.045 3.497 -6.228 1.00 10.00 O ATOM 131 CB TYR A 7 5.070 1.248 -3.981 1.00 10.00 C ATOM 132 CG TYR A 7 6.324 2.039 -3.677 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.267 3.443 -3.565 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.558 1.381 -3.562 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.455 4.191 -3.501 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.743 2.132 -3.486 1.00 10.00 C ATOM 137 CZ TYR A 7 8.693 3.532 -3.487 1.00 10.00 C ATOM 138 OH TYR A 7 9.847 4.250 -3.469 1.00 10.00 O ATOM 0 H TYR A 7 5.823 -0.372 -5.854 1.00 10.00 H new ATOM 0 HA TYR A 7 3.505 1.240 -5.362 1.00 10.00 H new ATOM 0 HB2 TYR A 7 4.267 1.614 -3.341 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.244 0.207 -3.710 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.311 3.944 -3.528 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.597 0.302 -3.532 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.415 5.270 -3.463 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.696 1.628 -3.427 1.00 10.00 H new ATOM 0 HH TYR A 7 10.613 3.638 -3.460 1.00 10.00 H new ATOM 148 N ASN A 8 6.076 2.712 -6.774 1.00 10.00 N ATOM 149 CA ASN A 8 6.574 3.901 -7.451 1.00 10.00 C ATOM 150 C ASN A 8 5.787 4.223 -8.733 1.00 10.00 C ATOM 151 O ASN A 8 5.776 5.366 -9.172 1.00 10.00 O ATOM 152 CB ASN A 8 8.074 3.703 -7.693 1.00 10.00 C ATOM 153 CG ASN A 8 8.798 4.943 -8.185 1.00 10.00 C ATOM 154 OD1 ASN A 8 8.436 6.072 -7.884 1.00 10.00 O ATOM 155 ND2 ASN A 8 9.866 4.743 -8.941 1.00 10.00 N ATOM 0 H ASN A 8 6.734 1.933 -6.810 1.00 10.00 H new ATOM 0 HA ASN A 8 6.424 4.779 -6.823 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.539 3.370 -6.765 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.210 2.904 -8.422 1.00 10.00 H new ATOM 0 HD21 ASN A 8 10.404 5.539 -9.284 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.151 3.793 -9.180 1.00 10.00 H new ATOM 162 N LYS A 9 5.115 3.238 -9.345 1.00 10.00 N ATOM 163 CA LYS A 9 4.114 3.493 -10.384 1.00 10.00 C ATOM 164 C LYS A 9 2.672 3.635 -9.857 1.00 10.00 C ATOM 165 O LYS A 9 1.875 4.326 -10.489 1.00 10.00 O ATOM 166 CB LYS A 9 4.213 2.420 -11.482 1.00 10.00 C ATOM 167 CG LYS A 9 3.492 2.847 -12.773 1.00 10.00 C ATOM 168 CD LYS A 9 4.262 3.970 -13.503 1.00 10.00 C ATOM 169 CE LYS A 9 3.362 5.155 -13.887 1.00 10.00 C ATOM 170 NZ LYS A 9 2.677 4.941 -15.179 1.00 10.00 N ATOM 0 H LYS A 9 5.250 2.249 -9.134 1.00 10.00 H new ATOM 0 HA LYS A 9 4.349 4.470 -10.807 1.00 10.00 H new ATOM 0 HB2 LYS A 9 5.262 2.222 -11.701 1.00 10.00 H new ATOM 0 HB3 LYS A 9 3.782 1.488 -11.118 1.00 10.00 H new ATOM 0 HG2 LYS A 9 3.386 1.987 -13.434 1.00 10.00 H new ATOM 0 HG3 LYS A 9 2.486 3.190 -12.533 1.00 10.00 H new ATOM 0 HD2 LYS A 9 5.070 4.325 -12.864 1.00 10.00 H new ATOM 0 HD3 LYS A 9 4.723 3.563 -14.403 1.00 10.00 H new ATOM 0 HE2 LYS A 9 2.619 5.312 -13.105 1.00 10.00 H new ATOM 0 HE3 LYS A 9 3.963 6.062 -13.943 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 2.082 5.765 -15.397 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 3.385 4.817 -15.931 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 2.082 4.090 -15.120 1.00 10.00 H new ATOM 184 N ALA A 10 2.315 2.972 -8.750 1.00 10.00 N ATOM 185 CA ALA A 10 0.925 2.808 -8.308 1.00 10.00 C ATOM 186 C ALA A 10 0.618 3.611 -7.041 1.00 10.00 C ATOM 187 O ALA A 10 -0.137 4.583 -7.085 1.00 10.00 O ATOM 188 CB ALA A 10 0.608 1.320 -8.113 1.00 10.00 C ATOM 0 H ALA A 10 2.992 2.529 -8.129 1.00 10.00 H new ATOM 0 HA ALA A 10 0.279 3.208 -9.090 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.425 1.208 -7.785 1.00 10.00 H new ATOM 0 HB2 ALA A 10 0.749 0.791 -9.056 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.275 0.902 -7.359 1.00 10.00 H new ATOM 194 N CYS A 11 1.232 3.258 -5.907 1.00 10.00 N ATOM 195 CA CYS A 11 1.075 3.963 -4.635 1.00 10.00 C ATOM 196 C CYS A 11 1.895 5.285 -4.658 1.00 10.00 C ATOM 197 O CYS A 11 2.572 5.648 -3.699 1.00 10.00 O ATOM 198 CB CYS A 11 1.456 3.055 -3.468 1.00 10.00 C ATOM 199 SG CYS A 11 1.531 1.255 -3.758 1.00 10.00 S ATOM 0 H CYS A 11 1.863 2.459 -5.849 1.00 10.00 H new ATOM 0 HA CYS A 11 0.028 4.232 -4.493 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.433 3.374 -3.105 1.00 10.00 H new ATOM 0 HB3 CYS A 11 0.743 3.232 -2.663 1.00 10.00 H new ATOM 204 N THR A 12 1.846 6.024 -5.773 1.00 10.00 N ATOM 205 CA THR A 12 2.797 7.093 -6.086 1.00 10.00 C ATOM 206 C THR A 12 2.147 8.455 -6.319 1.00 10.00 C ATOM 207 O THR A 12 2.864 9.439 -6.487 1.00 10.00 O ATOM 208 CB THR A 12 3.645 6.710 -7.304 1.00 10.00 C ATOM 209 OG1 THR A 12 4.726 7.603 -7.398 1.00 10.00 O ATOM 210 CG2 THR A 12 2.862 6.769 -8.617 1.00 10.00 C ATOM 0 H THR A 12 1.134 5.893 -6.492 1.00 10.00 H new ATOM 0 HA THR A 12 3.426 7.199 -5.202 1.00 10.00 H new ATOM 0 HB THR A 12 3.974 5.681 -7.159 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.459 8.478 -7.048 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.515 6.488 -9.443 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.019 6.079 -8.569 1.00 10.00 H new ATOM 0 HG23 THR A 12 2.493 7.782 -8.775 1.00 10.00 H new ATOM 218 N VAL A 13 0.812 8.521 -6.359 1.00 10.00 N ATOM 219 CA VAL A 13 0.070 9.756 -6.612 1.00 10.00 C ATOM 220 C VAL A 13 -0.556 10.249 -5.304 1.00 10.00 C ATOM 221 O VAL A 13 -0.497 11.428 -4.968 1.00 10.00 O ATOM 222 CB VAL A 13 -0.961 9.522 -7.734 1.00 10.00 C ATOM 223 CG1 VAL A 13 -0.252 9.108 -9.030 1.00 10.00 C ATOM 224 CG2 VAL A 13 -2.004 8.448 -7.395 1.00 10.00 C ATOM 0 H VAL A 13 0.212 7.709 -6.215 1.00 10.00 H new ATOM 0 HA VAL A 13 0.737 10.544 -6.962 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.485 10.470 -7.854 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -0.992 8.946 -9.814 1.00 10.00 H new ATOM 0 HG12 VAL A 13 0.435 9.897 -9.337 1.00 10.00 H new ATOM 0 HG13 VAL A 13 0.306 8.187 -8.861 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -2.696 8.337 -8.230 1.00 10.00 H new ATOM 0 HG22 VAL A 13 -1.502 7.498 -7.211 1.00 10.00 H new ATOM 0 HG23 VAL A 13 -2.556 8.745 -6.503 1.00 10.00 H new ATOM 234 N CYS A 14 -1.100 9.303 -4.538 1.00 10.00 N ATOM 235 CA CYS A 14 -1.712 9.514 -3.244 1.00 10.00 C ATOM 236 C CYS A 14 -0.648 9.452 -2.140 1.00 10.00 C ATOM 237 O CYS A 14 -0.379 10.445 -1.469 1.00 10.00 O ATOM 238 CB CYS A 14 -2.773 8.448 -3.099 1.00 10.00 C ATOM 239 SG CYS A 14 -4.274 8.838 -4.046 1.00 10.00 S ATOM 0 H CYS A 14 -1.122 8.325 -4.825 1.00 10.00 H new ATOM 0 HA CYS A 14 -2.170 10.499 -3.157 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.372 7.491 -3.435 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -3.030 8.334 -2.046 1.00 10.00 H new ATOM 244 N HIS A 15 -0.015 8.291 -1.962 1.00 10.00 N ATOM 245 CA HIS A 15 0.831 7.985 -0.810 1.00 10.00 C ATOM 246 C HIS A 15 2.199 8.685 -0.827 1.00 10.00 C ATOM 247 O HIS A 15 2.761 8.962 0.230 1.00 10.00 O ATOM 248 CB HIS A 15 0.987 6.465 -0.745 1.00 10.00 C ATOM 249 CG HIS A 15 -0.261 5.763 -0.294 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.670 5.665 1.010 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.149 5.074 -1.075 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.768 4.887 1.015 1.00 10.00 C ATOM 253 NE2 HIS A 15 -2.128 4.534 -0.231 1.00 10.00 N ATOM 0 H HIS A 15 -0.078 7.522 -2.629 1.00 10.00 H new ATOM 0 HA HIS A 15 0.343 8.374 0.084 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.270 6.093 -1.729 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.802 6.218 -0.064 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -0.228 6.098 1.821 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.103 4.966 -2.149 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -2.294 4.584 1.908 1.00 10.00 H new ATOM 261 N SER A 16 2.726 8.986 -2.016 1.00 10.00 N ATOM 262 CA SER A 16 4.031 9.635 -2.184 1.00 10.00 C ATOM 263 C SER A 16 4.069 11.001 -1.493 1.00 10.00 C ATOM 264 O SER A 16 4.963 11.285 -0.698 1.00 10.00 O ATOM 265 CB SER A 16 4.351 9.772 -3.676 1.00 10.00 C ATOM 266 OG SER A 16 5.495 10.581 -3.865 1.00 10.00 O ATOM 0 H SER A 16 2.255 8.785 -2.898 1.00 10.00 H new ATOM 0 HA SER A 16 4.790 9.011 -1.712 1.00 10.00 H new ATOM 0 HB2 SER A 16 4.520 8.786 -4.110 1.00 10.00 H new ATOM 0 HB3 SER A 16 3.499 10.208 -4.198 1.00 10.00 H new ATOM 0 HG SER A 16 5.687 10.657 -4.823 1.00 10.00 H new ATOM 272 N MET A 17 3.072 11.841 -1.789 1.00 10.00 N ATOM 273 CA MET A 17 2.959 13.184 -1.229 1.00 10.00 C ATOM 274 C MET A 17 1.924 13.245 -0.092 1.00 10.00 C ATOM 275 O MET A 17 1.958 14.160 0.728 1.00 10.00 O ATOM 276 CB MET A 17 2.641 14.154 -2.372 1.00 10.00 C ATOM 277 CG MET A 17 3.764 14.279 -3.422 1.00 10.00 C ATOM 278 SD MET A 17 5.215 15.297 -3.020 1.00 10.00 S ATOM 279 CE MET A 17 6.375 14.091 -2.344 1.00 10.00 C ATOM 0 H MET A 17 2.316 11.602 -2.430 1.00 10.00 H new ATOM 0 HA MET A 17 3.903 13.475 -0.769 1.00 10.00 H new ATOM 0 HB2 MET A 17 1.728 13.826 -2.869 1.00 10.00 H new ATOM 0 HB3 MET A 17 2.439 15.140 -1.952 1.00 10.00 H new ATOM 0 HG2 MET A 17 4.117 13.274 -3.651 1.00 10.00 H new ATOM 0 HG3 MET A 17 3.322 14.677 -4.335 1.00 10.00 H new ATOM 0 HE1 MET A 17 7.387 14.493 -2.393 1.00 10.00 H new ATOM 0 HE2 MET A 17 6.118 13.881 -1.306 1.00 10.00 H new ATOM 0 HE3 MET A 17 6.322 13.170 -2.924 1.00 10.00 H new ATOM 289 N GLY A 18 1.008 12.271 -0.014 1.00 10.00 N ATOM 290 CA GLY A 18 -0.049 12.235 0.994 1.00 10.00 C ATOM 291 C GLY A 18 -1.283 13.033 0.560 1.00 10.00 C ATOM 292 O GLY A 18 -1.797 13.859 1.313 1.00 10.00 O ATOM 0 H GLY A 18 0.983 11.480 -0.657 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -0.334 11.200 1.183 1.00 10.00 H new ATOM 0 HA3 GLY A 18 0.331 12.638 1.933 1.00 10.00 H new ATOM 296 N VAL A 19 -1.752 12.777 -0.663 1.00 10.00 N ATOM 297 CA VAL A 19 -2.882 13.440 -1.308 1.00 10.00 C ATOM 298 C VAL A 19 -4.131 12.557 -1.177 1.00 10.00 C ATOM 299 O VAL A 19 -4.047 11.387 -0.808 1.00 10.00 O ATOM 300 CB VAL A 19 -2.513 13.764 -2.772 1.00 10.00 C ATOM 301 CG1 VAL A 19 -3.641 14.458 -3.547 1.00 10.00 C ATOM 302 CG2 VAL A 19 -1.286 14.686 -2.811 1.00 10.00 C ATOM 0 H VAL A 19 -1.331 12.065 -1.259 1.00 10.00 H new ATOM 0 HA VAL A 19 -3.112 14.388 -0.821 1.00 10.00 H new ATOM 0 HB VAL A 19 -2.314 12.804 -3.248 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -3.313 14.656 -4.567 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -4.519 13.813 -3.567 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -3.893 15.399 -3.058 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -1.032 14.910 -3.847 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -1.511 15.613 -2.284 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -0.443 14.190 -2.330 1.00 10.00 H new ATOM 312 N ALA A 20 -5.312 13.140 -1.390 1.00 10.00 N ATOM 313 CA ALA A 20 -6.607 12.471 -1.231 1.00 10.00 C ATOM 314 C ALA A 20 -6.850 11.942 0.194 1.00 10.00 C ATOM 315 O ALA A 20 -7.683 11.064 0.405 1.00 10.00 O ATOM 316 CB ALA A 20 -6.772 11.389 -2.303 1.00 10.00 C ATOM 0 H ALA A 20 -5.398 14.113 -1.685 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.386 13.219 -1.379 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -7.736 10.897 -2.178 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -6.723 11.846 -3.291 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -5.974 10.653 -2.203 1.00 10.00 H new ATOM 322 N GLY A 21 -6.111 12.474 1.174 1.00 10.00 N ATOM 323 CA GLY A 21 -6.130 12.023 2.563 1.00 10.00 C ATOM 324 C GLY A 21 -5.261 10.782 2.806 1.00 10.00 C ATOM 325 O GLY A 21 -5.329 10.187 3.877 1.00 10.00 O ATOM 0 H GLY A 21 -5.468 13.250 1.015 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -5.785 12.832 3.206 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -7.157 11.802 2.853 1.00 10.00 H new ATOM 329 N ALA A 22 -4.439 10.379 1.830 1.00 10.00 N ATOM 330 CA ALA A 22 -3.628 9.177 1.944 1.00 10.00 C ATOM 331 C ALA A 22 -2.504 9.313 2.989 1.00 10.00 C ATOM 332 O ALA A 22 -1.907 10.381 3.135 1.00 10.00 O ATOM 333 CB ALA A 22 -3.055 8.832 0.574 1.00 10.00 C ATOM 0 H ALA A 22 -4.323 10.878 0.948 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.271 8.369 2.295 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.445 7.932 0.651 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.870 8.659 -0.128 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.439 9.658 0.219 1.00 10.00 H new ATOM 339 N PRO A 23 -2.190 8.225 3.702 1.00 10.00 N ATOM 340 CA PRO A 23 -1.152 8.170 4.715 1.00 10.00 C ATOM 341 C PRO A 23 0.218 7.988 4.064 1.00 10.00 C ATOM 342 O PRO A 23 0.337 7.406 2.982 1.00 10.00 O ATOM 343 CB PRO A 23 -1.518 6.951 5.547 1.00 10.00 C ATOM 344 CG PRO A 23 -2.064 6.006 4.501 1.00 10.00 C ATOM 345 CD PRO A 23 -2.875 6.953 3.633 1.00 10.00 C ATOM 0 HA PRO A 23 -1.091 9.081 5.310 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -0.652 6.534 6.061 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -2.259 7.186 6.311 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -1.271 5.512 3.940 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -2.680 5.221 4.939 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -2.931 6.593 2.606 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -3.899 7.039 3.997 1.00 10.00 H new ATOM 353 N LYS A 24 1.257 8.484 4.735 1.00 10.00 N ATOM 354 CA LYS A 24 2.575 8.656 4.136 1.00 10.00 C ATOM 355 C LYS A 24 3.539 7.560 4.595 1.00 10.00 C ATOM 356 O LYS A 24 3.517 7.146 5.755 1.00 10.00 O ATOM 357 CB LYS A 24 3.112 10.050 4.491 1.00 10.00 C ATOM 358 CG LYS A 24 2.157 11.173 4.050 1.00 10.00 C ATOM 359 CD LYS A 24 1.344 11.711 5.239 1.00 10.00 C ATOM 360 CE LYS A 24 0.256 12.671 4.746 1.00 10.00 C ATOM 361 NZ LYS A 24 -0.533 13.226 5.865 1.00 10.00 N ATOM 0 H LYS A 24 1.206 8.778 5.711 1.00 10.00 H new ATOM 0 HA LYS A 24 2.488 8.571 3.053 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.270 10.113 5.568 1.00 10.00 H new ATOM 0 HB3 LYS A 24 4.083 10.195 4.017 1.00 10.00 H new ATOM 0 HG2 LYS A 24 2.729 11.985 3.600 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.480 10.797 3.283 1.00 10.00 H new ATOM 0 HD2 LYS A 24 0.889 10.883 5.782 1.00 10.00 H new ATOM 0 HD3 LYS A 24 2.004 12.226 5.937 1.00 10.00 H new ATOM 0 HE2 LYS A 24 0.716 13.485 4.186 1.00 10.00 H new ATOM 0 HE3 LYS A 24 -0.407 12.147 4.058 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 -1.259 13.871 5.492 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 -0.992 12.451 6.384 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 0.096 13.748 6.508 1.00 10.00 H new ATOM 375 N SER A 25 4.418 7.096 3.709 1.00 10.00 N ATOM 376 CA SER A 25 5.467 6.127 4.022 1.00 10.00 C ATOM 377 C SER A 25 6.654 6.765 4.765 1.00 10.00 C ATOM 378 O SER A 25 7.802 6.655 4.343 1.00 10.00 O ATOM 379 CB SER A 25 5.893 5.483 2.705 1.00 10.00 C ATOM 380 OG SER A 25 6.037 6.483 1.710 1.00 10.00 O ATOM 0 H SER A 25 4.421 7.389 2.732 1.00 10.00 H new ATOM 0 HA SER A 25 5.083 5.371 4.707 1.00 10.00 H new ATOM 0 HB2 SER A 25 6.834 4.950 2.837 1.00 10.00 H new ATOM 0 HB3 SER A 25 5.151 4.748 2.391 1.00 10.00 H new ATOM 0 HG SER A 25 6.312 6.068 0.866 1.00 10.00 H new ATOM 386 N HIS A 26 6.370 7.426 5.891 1.00 10.00 N ATOM 387 CA HIS A 26 7.400 8.016 6.760 1.00 10.00 C ATOM 388 C HIS A 26 7.044 8.000 8.252 1.00 10.00 C ATOM 389 O HIS A 26 7.872 7.689 9.103 1.00 10.00 O ATOM 390 CB HIS A 26 7.782 9.431 6.281 1.00 10.00 C ATOM 391 CG HIS A 26 6.951 10.553 6.863 1.00 10.00 C ATOM 392 ND1 HIS A 26 5.776 11.048 6.347 1.00 10.00 N ATOM 393 CD2 HIS A 26 7.165 11.176 8.065 1.00 10.00 C ATOM 394 CE1 HIS A 26 5.291 11.942 7.225 1.00 10.00 C ATOM 395 NE2 HIS A 26 6.098 12.051 8.292 1.00 10.00 N ATOM 0 H HIS A 26 5.418 7.569 6.229 1.00 10.00 H new ATOM 0 HA HIS A 26 8.273 7.370 6.669 1.00 10.00 H new ATOM 0 HB2 HIS A 26 8.829 9.610 6.526 1.00 10.00 H new ATOM 0 HB3 HIS A 26 7.699 9.464 5.195 1.00 10.00 H new ATOM 0 HD2 HIS A 26 8.009 11.019 8.721 1.00 10.00 H new ATOM 0 HE1 HIS A 26 4.375 12.498 7.090 1.00 10.00 H new ATOM 0 HE2 HIS A 26 5.961 12.651 9.105 1.00 10.00 H new ATOM 403 N ASN A 27 5.809 8.387 8.572 1.00 10.00 N ATOM 404 CA ASN A 27 5.310 8.477 9.937 1.00 10.00 C ATOM 405 C ASN A 27 5.132 7.062 10.478 1.00 10.00 C ATOM 406 O ASN A 27 4.766 6.172 9.718 1.00 10.00 O ATOM 407 CB ASN A 27 3.981 9.265 9.972 1.00 10.00 C ATOM 408 CG ASN A 27 3.082 9.025 8.759 1.00 10.00 C ATOM 409 OD1 ASN A 27 2.589 9.954 8.130 1.00 10.00 O ATOM 410 ND2 ASN A 27 2.927 7.775 8.363 1.00 10.00 N ATOM 0 H ASN A 27 5.116 8.651 7.872 1.00 10.00 H new ATOM 0 HA ASN A 27 6.021 9.015 10.565 1.00 10.00 H new ATOM 0 HB2 ASN A 27 3.434 8.995 10.875 1.00 10.00 H new ATOM 0 HB3 ASN A 27 4.204 10.330 10.041 1.00 10.00 H new ATOM 0 HD21 ASN A 27 2.390 7.570 7.521 1.00 10.00 H new ATOM 0 HD22 ASN A 27 3.345 7.015 8.899 1.00 10.00 H new ATOM 417 N THR A 28 5.296 6.852 11.782 1.00 10.00 N ATOM 418 CA THR A 28 5.093 5.516 12.344 1.00 10.00 C ATOM 419 C THR A 28 3.671 5.386 12.893 1.00 10.00 C ATOM 420 O THR A 28 3.045 4.349 12.723 1.00 10.00 O ATOM 421 CB THR A 28 6.175 5.204 13.387 1.00 10.00 C ATOM 422 OG1 THR A 28 6.000 3.901 13.890 1.00 10.00 O ATOM 423 CG2 THR A 28 6.229 6.193 14.554 1.00 10.00 C ATOM 0 H THR A 28 5.562 7.569 12.457 1.00 10.00 H new ATOM 0 HA THR A 28 5.196 4.767 11.559 1.00 10.00 H new ATOM 0 HB THR A 28 7.125 5.295 12.860 1.00 10.00 H new ATOM 0 HG1 THR A 28 5.322 3.912 14.597 1.00 10.00 H new ATOM 0 HG21 THR A 28 7.020 5.899 15.244 1.00 10.00 H new ATOM 0 HG22 THR A 28 6.433 7.194 14.174 1.00 10.00 H new ATOM 0 HG23 THR A 28 5.273 6.191 15.077 1.00 10.00 H new ATOM 431 N ALA A 29 3.067 6.476 13.373 1.00 10.00 N ATOM 432 CA ALA A 29 1.725 6.452 13.954 1.00 10.00 C ATOM 433 C ALA A 29 0.617 6.004 12.989 1.00 10.00 C ATOM 434 O ALA A 29 -0.385 5.451 13.427 1.00 10.00 O ATOM 435 CB ALA A 29 1.402 7.833 14.509 1.00 10.00 C ATOM 0 H ALA A 29 3.497 7.401 13.369 1.00 10.00 H new ATOM 0 HA ALA A 29 1.744 5.699 14.742 1.00 10.00 H new ATOM 0 HB1 ALA A 29 0.403 7.825 14.945 1.00 10.00 H new ATOM 0 HB2 ALA A 29 2.130 8.096 15.276 1.00 10.00 H new ATOM 0 HB3 ALA A 29 1.441 8.567 13.704 1.00 10.00 H new ATOM 441 N ASP A 30 0.778 6.243 11.684 1.00 10.00 N ATOM 442 CA ASP A 30 -0.175 5.803 10.675 1.00 10.00 C ATOM 443 C ASP A 30 -0.031 4.289 10.397 1.00 10.00 C ATOM 444 O ASP A 30 -0.992 3.580 10.098 1.00 10.00 O ATOM 445 CB ASP A 30 0.084 6.669 9.436 1.00 10.00 C ATOM 446 CG ASP A 30 -1.177 6.914 8.642 1.00 10.00 C ATOM 447 OD1 ASP A 30 -1.875 5.917 8.362 1.00 10.00 O ATOM 448 OD2 ASP A 30 -1.380 8.095 8.288 1.00 10.00 O ATOM 0 H ASP A 30 1.577 6.749 11.302 1.00 10.00 H new ATOM 0 HA ASP A 30 -1.206 5.929 11.006 1.00 10.00 H new ATOM 0 HB2 ASP A 30 0.510 7.624 9.744 1.00 10.00 H new ATOM 0 HB3 ASP A 30 0.823 6.181 8.801 1.00 10.00 H new ATOM 453 N TRP A 31 1.201 3.787 10.535 1.00 10.00 N ATOM 454 CA TRP A 31 1.584 2.404 10.266 1.00 10.00 C ATOM 455 C TRP A 31 1.433 1.497 11.514 1.00 10.00 C ATOM 456 O TRP A 31 1.052 0.333 11.392 1.00 10.00 O ATOM 457 CB TRP A 31 2.987 2.418 9.623 1.00 10.00 C ATOM 458 CG TRP A 31 3.041 2.959 8.215 1.00 10.00 C ATOM 459 CD1 TRP A 31 3.064 4.271 7.905 1.00 10.00 C ATOM 460 CD2 TRP A 31 3.068 2.275 6.922 1.00 10.00 C ATOM 461 NE1 TRP A 31 3.057 4.466 6.550 1.00 10.00 N ATOM 462 CE2 TRP A 31 3.028 3.266 5.889 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.122 0.927 6.504 1.00 10.00 C ATOM 464 CZ2 TRP A 31 2.960 2.950 4.531 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.124 0.603 5.135 1.00 10.00 C ATOM 466 CH2 TRP A 31 2.923 1.601 4.163 1.00 10.00 C ATOM 0 H TRP A 31 1.986 4.358 10.849 1.00 10.00 H new ATOM 0 HA TRP A 31 0.901 1.942 9.553 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.651 3.013 10.250 1.00 10.00 H new ATOM 0 HB3 TRP A 31 3.378 1.401 9.620 1.00 10.00 H new ATOM 0 HD1 TRP A 31 3.085 5.068 8.634 1.00 10.00 H new ATOM 0 HE1 TRP A 31 3.071 5.379 6.095 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.162 0.139 7.241 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 2.937 3.728 3.783 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.281 -0.420 4.827 1.00 10.00 H new ATOM 0 HH2 TRP A 31 2.741 1.326 3.135 1.00 10.00 H new ATOM 477 N GLU A 32 1.632 2.022 12.729 1.00 10.00 N ATOM 478 CA GLU A 32 1.434 1.313 13.999 1.00 10.00 C ATOM 479 C GLU A 32 0.084 0.577 14.120 1.00 10.00 C ATOM 480 O GLU A 32 0.080 -0.641 14.299 1.00 10.00 O ATOM 481 CB GLU A 32 1.657 2.294 15.157 1.00 10.00 C ATOM 482 CG GLU A 32 3.154 2.420 15.470 1.00 10.00 C ATOM 483 CD GLU A 32 3.478 3.650 16.303 1.00 10.00 C ATOM 484 OE1 GLU A 32 2.598 4.077 17.079 1.00 10.00 O ATOM 485 OE2 GLU A 32 4.606 4.155 16.121 1.00 10.00 O ATOM 0 H GLU A 32 1.946 2.984 12.859 1.00 10.00 H new ATOM 0 HA GLU A 32 2.172 0.512 14.038 1.00 10.00 H new ATOM 0 HB2 GLU A 32 1.250 3.271 14.898 1.00 10.00 H new ATOM 0 HB3 GLU A 32 1.122 1.950 16.042 1.00 10.00 H new ATOM 0 HG2 GLU A 32 3.486 1.528 16.002 1.00 10.00 H new ATOM 0 HG3 GLU A 32 3.714 2.461 14.536 1.00 10.00 H new ATOM 492 N PRO A 33 -1.073 1.252 13.987 1.00 10.00 N ATOM 493 CA PRO A 33 -2.378 0.600 14.063 1.00 10.00 C ATOM 494 C PRO A 33 -2.631 -0.386 12.910 1.00 10.00 C ATOM 495 O PRO A 33 -3.676 -1.032 12.881 1.00 10.00 O ATOM 496 CB PRO A 33 -3.400 1.745 14.073 1.00 10.00 C ATOM 497 CG PRO A 33 -2.690 2.851 13.297 1.00 10.00 C ATOM 498 CD PRO A 33 -1.239 2.672 13.732 1.00 10.00 C ATOM 0 HA PRO A 33 -2.449 -0.020 14.957 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.336 1.454 13.595 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -3.644 2.058 15.088 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -2.809 2.733 12.220 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -3.073 3.839 13.554 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -0.554 3.012 12.956 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -1.024 3.257 14.626 1.00 10.00 H new ATOM 506 N ARG A 34 -1.688 -0.528 11.972 1.00 10.00 N ATOM 507 CA ARG A 34 -1.751 -1.464 10.862 1.00 10.00 C ATOM 508 C ARG A 34 -0.870 -2.687 11.201 1.00 10.00 C ATOM 509 O ARG A 34 -1.375 -3.810 11.298 1.00 10.00 O ATOM 510 CB ARG A 34 -1.369 -0.704 9.574 1.00 10.00 C ATOM 511 CG ARG A 34 -2.166 0.608 9.383 1.00 10.00 C ATOM 512 CD ARG A 34 -3.587 0.337 8.876 1.00 10.00 C ATOM 513 NE ARG A 34 -4.581 1.299 9.394 1.00 10.00 N ATOM 514 CZ ARG A 34 -4.958 2.457 8.830 1.00 10.00 C ATOM 515 NH1 ARG A 34 -4.194 3.070 7.938 1.00 10.00 N ATOM 516 NH2 ARG A 34 -6.110 3.015 9.176 1.00 10.00 N ATOM 0 H ARG A 34 -0.833 0.029 11.972 1.00 10.00 H new ATOM 0 HA ARG A 34 -2.750 -1.864 10.689 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -0.304 -0.475 9.597 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.537 -1.352 8.714 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -2.213 1.147 10.330 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -1.643 1.252 8.676 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -3.590 0.372 7.787 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -3.883 -0.672 9.164 1.00 10.00 H new ATOM 0 HE ARG A 34 -5.030 1.057 10.277 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -3.299 2.662 7.667 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -4.501 3.949 7.522 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -6.707 2.564 9.869 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -6.399 3.895 8.749 1.00 10.00 H new ATOM 530 N LEU A 35 0.412 -2.450 11.520 1.00 10.00 N ATOM 531 CA LEU A 35 1.391 -3.461 11.957 1.00 10.00 C ATOM 532 C LEU A 35 1.004 -4.208 13.246 1.00 10.00 C ATOM 533 O LEU A 35 1.622 -5.213 13.588 1.00 10.00 O ATOM 534 CB LEU A 35 2.778 -2.801 12.163 1.00 10.00 C ATOM 535 CG LEU A 35 3.915 -3.321 11.265 1.00 10.00 C ATOM 536 CD1 LEU A 35 5.244 -2.724 11.740 1.00 10.00 C ATOM 537 CD2 LEU A 35 4.043 -4.851 11.237 1.00 10.00 C ATOM 0 H LEU A 35 0.812 -1.513 11.479 1.00 10.00 H new ATOM 0 HA LEU A 35 1.416 -4.203 11.159 1.00 10.00 H new ATOM 0 HB2 LEU A 35 2.675 -1.728 12.000 1.00 10.00 H new ATOM 0 HB3 LEU A 35 3.072 -2.938 13.203 1.00 10.00 H new ATOM 0 HG LEU A 35 3.669 -3.009 10.250 1.00 10.00 H new ATOM 0 HD11 LEU A 35 6.053 -3.089 11.108 1.00 10.00 H new ATOM 0 HD12 LEU A 35 5.197 -1.637 11.678 1.00 10.00 H new ATOM 0 HD13 LEU A 35 5.428 -3.021 12.772 1.00 10.00 H new ATOM 0 HD21 LEU A 35 4.867 -5.135 10.582 1.00 10.00 H new ATOM 0 HD22 LEU A 35 4.237 -5.218 12.245 1.00 10.00 H new ATOM 0 HD23 LEU A 35 3.116 -5.287 10.864 1.00 10.00 H new ATOM 549 N ALA A 36 0.012 -3.706 13.984 1.00 10.00 N ATOM 550 CA ALA A 36 -0.388 -4.224 15.285 1.00 10.00 C ATOM 551 C ALA A 36 -1.384 -5.363 15.093 1.00 10.00 C ATOM 552 O ALA A 36 -1.354 -6.368 15.798 1.00 10.00 O ATOM 553 CB ALA A 36 -1.008 -3.092 16.109 1.00 10.00 C ATOM 0 H ALA A 36 -0.547 -2.908 13.682 1.00 10.00 H new ATOM 0 HA ALA A 36 0.481 -4.610 15.819 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -1.309 -3.475 17.084 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -0.276 -2.296 16.242 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -1.881 -2.699 15.588 1.00 10.00 H new ATOM 559 N LYS A 37 -2.274 -5.191 14.111 1.00 10.00 N ATOM 560 CA LYS A 37 -3.220 -6.212 13.710 1.00 10.00 C ATOM 561 C LYS A 37 -2.528 -7.309 12.891 1.00 10.00 C ATOM 562 O LYS A 37 -2.815 -8.487 13.076 1.00 10.00 O ATOM 563 CB LYS A 37 -4.365 -5.552 12.930 1.00 10.00 C ATOM 564 CG LYS A 37 -5.290 -4.748 13.855 1.00 10.00 C ATOM 565 CD LYS A 37 -6.420 -5.590 14.473 1.00 10.00 C ATOM 566 CE LYS A 37 -7.475 -6.019 13.435 1.00 10.00 C ATOM 567 NZ LYS A 37 -7.334 -7.436 13.030 1.00 10.00 N ATOM 0 H LYS A 37 -2.351 -4.328 13.573 1.00 10.00 H new ATOM 0 HA LYS A 37 -3.634 -6.697 14.594 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -3.953 -4.894 12.165 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -4.943 -6.318 12.413 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -4.696 -4.307 14.656 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -5.728 -3.924 13.292 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -5.993 -6.478 14.940 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -6.905 -5.017 15.263 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -8.471 -5.861 13.849 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -7.391 -5.383 12.554 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -7.566 -7.533 12.021 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -6.355 -7.748 13.192 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -7.982 -8.024 13.592 1.00 10.00 H new ATOM 581 N GLY A 38 -1.687 -6.920 11.926 1.00 10.00 N ATOM 582 CA GLY A 38 -0.972 -7.849 11.049 1.00 10.00 C ATOM 583 C GLY A 38 -0.458 -7.130 9.797 1.00 10.00 C ATOM 584 O GLY A 38 0.053 -6.019 9.906 1.00 10.00 O ATOM 0 H GLY A 38 -1.483 -5.940 11.731 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -0.135 -8.294 11.588 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -1.634 -8.665 10.759 1.00 10.00 H new ATOM 588 N VAL A 39 -0.605 -7.736 8.612 1.00 10.00 N ATOM 589 CA VAL A 39 -0.148 -7.134 7.350 1.00 10.00 C ATOM 590 C VAL A 39 -1.162 -7.374 6.227 1.00 10.00 C ATOM 591 O VAL A 39 -1.705 -6.453 5.618 1.00 10.00 O ATOM 592 CB VAL A 39 1.236 -7.701 6.973 1.00 10.00 C ATOM 593 CG1 VAL A 39 1.724 -7.091 5.653 1.00 10.00 C ATOM 594 CG2 VAL A 39 2.276 -7.432 8.067 1.00 10.00 C ATOM 0 H VAL A 39 -1.041 -8.651 8.499 1.00 10.00 H new ATOM 0 HA VAL A 39 -0.061 -6.056 7.488 1.00 10.00 H new ATOM 0 HB VAL A 39 1.122 -8.779 6.861 1.00 10.00 H new ATOM 0 HG11 VAL A 39 2.702 -7.502 5.402 1.00 10.00 H new ATOM 0 HG12 VAL A 39 1.016 -7.328 4.859 1.00 10.00 H new ATOM 0 HG13 VAL A 39 1.802 -6.009 5.759 1.00 10.00 H new ATOM 0 HG21 VAL A 39 3.238 -7.846 7.765 1.00 10.00 H new ATOM 0 HG22 VAL A 39 2.375 -6.357 8.218 1.00 10.00 H new ATOM 0 HG23 VAL A 39 1.955 -7.901 8.997 1.00 10.00 H new ATOM 604 N ASP A 40 -1.448 -8.648 5.977 1.00 10.00 N ATOM 605 CA ASP A 40 -2.499 -9.137 5.103 1.00 10.00 C ATOM 606 C ASP A 40 -3.830 -8.375 5.276 1.00 10.00 C ATOM 607 O ASP A 40 -4.493 -8.077 4.284 1.00 10.00 O ATOM 608 CB ASP A 40 -2.631 -10.641 5.368 1.00 10.00 C ATOM 609 CG ASP A 40 -2.775 -10.935 6.854 1.00 10.00 C ATOM 610 OD1 ASP A 40 -1.773 -10.671 7.563 1.00 10.00 O ATOM 611 OD2 ASP A 40 -3.882 -11.347 7.242 1.00 10.00 O ATOM 0 H ASP A 40 -0.919 -9.408 6.406 1.00 10.00 H new ATOM 0 HA ASP A 40 -2.235 -8.960 4.060 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -3.497 -11.031 4.833 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -1.755 -11.159 4.977 1.00 10.00 H new ATOM 616 N ASN A 41 -4.184 -7.976 6.507 1.00 10.00 N ATOM 617 CA ASN A 41 -5.355 -7.133 6.797 1.00 10.00 C ATOM 618 C ASN A 41 -5.477 -5.909 5.885 1.00 10.00 C ATOM 619 O ASN A 41 -6.571 -5.383 5.704 1.00 10.00 O ATOM 620 CB ASN A 41 -5.325 -6.557 8.224 1.00 10.00 C ATOM 621 CG ASN A 41 -4.839 -7.474 9.326 1.00 10.00 C ATOM 622 OD1 ASN A 41 -3.793 -7.040 10.007 1.00 10.00 O flip ATOM 623 ND2 ASN A 41 -5.431 -8.499 9.630 1.00 10.00 N flip ATOM 0 H ASN A 41 -3.657 -8.233 7.342 1.00 10.00 H new ATOM 0 HA ASN A 41 -6.191 -7.816 6.644 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -4.692 -5.670 8.218 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -6.333 -6.228 8.477 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -6.235 -8.805 9.082 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -5.121 -9.048 10.432 1.00 10.00 H new ATOM 630 N LEU A 42 -4.345 -5.428 5.376 1.00 10.00 N ATOM 631 CA LEU A 42 -4.247 -4.290 4.489 1.00 10.00 C ATOM 632 C LEU A 42 -4.088 -4.729 3.028 1.00 10.00 C ATOM 633 O LEU A 42 -4.723 -4.140 2.152 1.00 10.00 O ATOM 634 CB LEU A 42 -3.083 -3.430 4.970 1.00 10.00 C ATOM 635 CG LEU A 42 -3.325 -2.691 6.307 1.00 10.00 C ATOM 636 CD1 LEU A 42 -4.792 -2.306 6.553 1.00 10.00 C ATOM 637 CD2 LEU A 42 -2.750 -3.487 7.485 1.00 10.00 C ATOM 0 H LEU A 42 -3.437 -5.844 5.584 1.00 10.00 H new ATOM 0 HA LEU A 42 -5.166 -3.704 4.516 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -2.203 -4.064 5.077 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -2.854 -2.692 4.201 1.00 10.00 H new ATOM 0 HG LEU A 42 -2.789 -1.746 6.226 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -4.878 -1.792 7.510 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -5.134 -1.646 5.755 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -5.407 -3.206 6.568 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -2.933 -2.946 8.413 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -3.231 -4.464 7.533 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -1.677 -3.617 7.347 1.00 10.00 H new ATOM 649 N VAL A 43 -3.324 -5.796 2.751 1.00 10.00 N ATOM 650 CA VAL A 43 -3.284 -6.390 1.407 1.00 10.00 C ATOM 651 C VAL A 43 -4.716 -6.716 0.922 1.00 10.00 C ATOM 652 O VAL A 43 -5.060 -6.492 -0.241 1.00 10.00 O ATOM 653 CB VAL A 43 -2.294 -7.578 1.327 1.00 10.00 C ATOM 654 CG1 VAL A 43 -2.946 -8.966 1.382 1.00 10.00 C ATOM 655 CG2 VAL A 43 -1.491 -7.532 0.017 1.00 10.00 C ATOM 0 H VAL A 43 -2.729 -6.263 3.435 1.00 10.00 H new ATOM 0 HA VAL A 43 -2.884 -5.658 0.706 1.00 10.00 H new ATOM 0 HB VAL A 43 -1.668 -7.454 2.211 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -2.174 -9.733 1.319 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -3.491 -9.075 2.320 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -3.637 -9.077 0.546 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.802 -8.376 -0.017 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.174 -7.587 -0.831 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.927 -6.601 -0.031 1.00 10.00 H new ATOM 665 N LYS A 44 -5.599 -7.162 1.834 1.00 10.00 N ATOM 666 CA LYS A 44 -7.014 -7.318 1.508 1.00 10.00 C ATOM 667 C LYS A 44 -7.730 -5.998 1.159 1.00 10.00 C ATOM 668 O LYS A 44 -8.475 -5.946 0.183 1.00 10.00 O ATOM 669 CB LYS A 44 -7.785 -8.175 2.521 1.00 10.00 C ATOM 670 CG LYS A 44 -7.593 -7.702 3.958 1.00 10.00 C ATOM 671 CD LYS A 44 -8.860 -7.770 4.811 1.00 10.00 C ATOM 672 CE LYS A 44 -9.691 -6.497 4.615 1.00 10.00 C ATOM 673 NZ LYS A 44 -10.966 -6.563 5.358 1.00 10.00 N ATOM 0 H LYS A 44 -5.354 -7.416 2.791 1.00 10.00 H new ATOM 0 HA LYS A 44 -7.017 -7.890 0.580 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -8.847 -8.154 2.275 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -7.458 -9.212 2.437 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -6.818 -8.308 4.428 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -7.231 -6.674 3.946 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -9.448 -8.645 4.534 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -8.595 -7.883 5.862 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -9.118 -5.632 4.950 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -9.894 -6.354 3.554 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -11.504 -5.686 5.204 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -11.523 -7.374 5.021 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -10.771 -6.675 6.373 1.00 10.00 H new ATOM 687 N SER A 45 -7.512 -4.917 1.915 1.00 10.00 N ATOM 688 CA SER A 45 -8.140 -3.629 1.617 1.00 10.00 C ATOM 689 C SER A 45 -7.640 -3.094 0.269 1.00 10.00 C ATOM 690 O SER A 45 -8.384 -2.484 -0.498 1.00 10.00 O ATOM 691 CB SER A 45 -7.870 -2.638 2.758 1.00 10.00 C ATOM 692 OG SER A 45 -8.361 -3.161 3.981 1.00 10.00 O ATOM 0 H SER A 45 -6.906 -4.910 2.736 1.00 10.00 H new ATOM 0 HA SER A 45 -9.219 -3.761 1.538 1.00 10.00 H new ATOM 0 HB2 SER A 45 -6.800 -2.446 2.839 1.00 10.00 H new ATOM 0 HB3 SER A 45 -8.350 -1.683 2.543 1.00 10.00 H new ATOM 0 HG SER A 45 -7.705 -3.785 4.357 1.00 10.00 H new ATOM 698 N VAL A 46 -6.374 -3.377 -0.042 1.00 10.00 N ATOM 699 CA VAL A 46 -5.755 -3.020 -1.306 1.00 10.00 C ATOM 700 C VAL A 46 -6.437 -3.701 -2.492 1.00 10.00 C ATOM 701 O VAL A 46 -6.887 -3.027 -3.420 1.00 10.00 O ATOM 702 CB VAL A 46 -4.256 -3.313 -1.227 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.582 -3.390 -2.591 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.569 -2.242 -0.396 1.00 10.00 C ATOM 0 H VAL A 46 -5.745 -3.869 0.592 1.00 10.00 H new ATOM 0 HA VAL A 46 -5.885 -1.952 -1.483 1.00 10.00 H new ATOM 0 HB VAL A 46 -4.157 -4.294 -0.763 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.520 -3.600 -2.461 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -4.040 -4.185 -3.179 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.702 -2.439 -3.111 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.501 -2.453 -0.341 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.723 -1.267 -0.859 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -3.990 -2.236 0.610 1.00 10.00 H new ATOM 714 N LYS A 47 -6.537 -5.033 -2.453 1.00 10.00 N ATOM 715 CA LYS A 47 -7.222 -5.783 -3.505 1.00 10.00 C ATOM 716 C LYS A 47 -8.658 -5.277 -3.718 1.00 10.00 C ATOM 717 O LYS A 47 -9.115 -5.143 -4.849 1.00 10.00 O ATOM 718 CB LYS A 47 -7.083 -7.288 -3.256 1.00 10.00 C ATOM 719 CG LYS A 47 -8.267 -7.906 -2.503 1.00 10.00 C ATOM 720 CD LYS A 47 -7.811 -9.034 -1.580 1.00 10.00 C ATOM 721 CE LYS A 47 -7.907 -10.433 -2.199 1.00 10.00 C ATOM 722 NZ LYS A 47 -8.115 -11.458 -1.152 1.00 10.00 N ATOM 0 H LYS A 47 -6.153 -5.611 -1.706 1.00 10.00 H new ATOM 0 HA LYS A 47 -6.738 -5.602 -4.465 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -6.970 -7.796 -4.214 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -6.170 -7.470 -2.689 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -8.770 -7.136 -1.918 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -8.995 -8.290 -3.218 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -6.778 -8.850 -1.284 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -8.412 -9.010 -0.671 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -8.730 -10.464 -2.913 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -6.995 -10.653 -2.754 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -8.177 -12.398 -1.593 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -7.317 -11.441 -0.486 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -8.998 -11.257 -0.640 1.00 10.00 H new ATOM 736 N THR A 48 -9.324 -4.899 -2.623 1.00 10.00 N ATOM 737 CA THR A 48 -10.709 -4.437 -2.630 1.00 10.00 C ATOM 738 C THR A 48 -10.843 -3.049 -3.269 1.00 10.00 C ATOM 739 O THR A 48 -11.844 -2.780 -3.926 1.00 10.00 O ATOM 740 CB THR A 48 -11.225 -4.432 -1.178 1.00 10.00 C ATOM 741 OG1 THR A 48 -11.355 -5.767 -0.736 1.00 10.00 O ATOM 742 CG2 THR A 48 -12.579 -3.746 -0.987 1.00 10.00 C ATOM 0 H THR A 48 -8.906 -4.907 -1.693 1.00 10.00 H new ATOM 0 HA THR A 48 -11.311 -5.114 -3.237 1.00 10.00 H new ATOM 0 HB THR A 48 -10.494 -3.863 -0.604 1.00 10.00 H new ATOM 0 HG1 THR A 48 -10.499 -6.076 -0.373 1.00 10.00 H new ATOM 0 HG21 THR A 48 -12.864 -3.790 0.064 1.00 10.00 H new ATOM 0 HG22 THR A 48 -12.507 -2.705 -1.300 1.00 10.00 H new ATOM 0 HG23 THR A 48 -13.333 -4.254 -1.589 1.00 10.00 H new ATOM 750 N GLY A 49 -9.851 -2.168 -3.091 1.00 10.00 N ATOM 751 CA GLY A 49 -9.995 -0.758 -3.433 1.00 10.00 C ATOM 752 C GLY A 49 -10.847 -0.038 -2.393 1.00 10.00 C ATOM 753 O GLY A 49 -12.045 -0.280 -2.262 1.00 10.00 O ATOM 0 H GLY A 49 -8.937 -2.414 -2.710 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -9.012 -0.290 -3.493 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -10.454 -0.662 -4.417 1.00 10.00 H new ATOM 757 N LEU A 50 -10.217 0.859 -1.643 1.00 10.00 N ATOM 758 CA LEU A 50 -10.935 1.811 -0.807 1.00 10.00 C ATOM 759 C LEU A 50 -11.679 2.834 -1.701 1.00 10.00 C ATOM 760 O LEU A 50 -11.796 2.663 -2.908 1.00 10.00 O ATOM 761 CB LEU A 50 -9.914 2.383 0.194 1.00 10.00 C ATOM 762 CG LEU A 50 -10.445 3.060 1.468 1.00 10.00 C ATOM 763 CD1 LEU A 50 -11.526 2.246 2.189 1.00 10.00 C ATOM 764 CD2 LEU A 50 -9.253 3.212 2.413 1.00 10.00 C ATOM 0 H LEU A 50 -9.202 0.946 -1.598 1.00 10.00 H new ATOM 0 HA LEU A 50 -11.733 1.364 -0.215 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -9.256 1.570 0.499 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -9.298 3.109 -0.337 1.00 10.00 H new ATOM 0 HG LEU A 50 -10.902 4.008 1.186 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -11.854 2.784 3.078 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -12.375 2.097 1.522 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -11.119 1.278 2.480 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -9.580 3.690 3.337 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -8.840 2.229 2.639 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -8.488 3.826 1.938 1.00 10.00 H new ATOM 776 N ASN A 51 -12.237 3.899 -1.132 1.00 10.00 N ATOM 777 CA ASN A 51 -13.183 4.763 -1.856 1.00 10.00 C ATOM 778 C ASN A 51 -12.500 5.543 -2.987 1.00 10.00 C ATOM 779 O ASN A 51 -12.829 5.409 -4.161 1.00 10.00 O ATOM 780 CB ASN A 51 -13.887 5.709 -0.872 1.00 10.00 C ATOM 781 CG ASN A 51 -14.267 4.952 0.388 1.00 10.00 C ATOM 782 OD1 ASN A 51 -13.365 4.986 1.361 1.00 10.00 O flip ATOM 783 ND2 ASN A 51 -15.276 4.266 0.459 1.00 10.00 N flip ATOM 0 H ASN A 51 -12.054 4.190 -0.172 1.00 10.00 H new ATOM 0 HA ASN A 51 -13.931 4.125 -2.326 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -13.231 6.543 -0.622 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -14.778 6.133 -1.335 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -15.947 4.265 -0.309 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -15.447 3.694 1.286 1.00 10.00 H new ATOM 790 N ALA A 52 -11.531 6.368 -2.599 1.00 10.00 N ATOM 791 CA ALA A 52 -10.636 7.086 -3.503 1.00 10.00 C ATOM 792 C ALA A 52 -9.679 6.134 -4.246 1.00 10.00 C ATOM 793 O ALA A 52 -9.373 6.318 -5.420 1.00 10.00 O ATOM 794 CB ALA A 52 -9.852 8.097 -2.662 1.00 10.00 C ATOM 0 H ALA A 52 -11.341 6.561 -1.616 1.00 10.00 H new ATOM 0 HA ALA A 52 -11.220 7.590 -4.273 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.171 8.654 -3.305 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -10.546 8.788 -2.183 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.281 7.570 -1.898 1.00 10.00 H new ATOM 800 N MET A 53 -9.162 5.139 -3.522 1.00 10.00 N ATOM 801 CA MET A 53 -8.148 4.188 -3.954 1.00 10.00 C ATOM 802 C MET A 53 -8.705 3.129 -4.926 1.00 10.00 C ATOM 803 O MET A 53 -9.601 2.375 -4.554 1.00 10.00 O ATOM 804 CB MET A 53 -7.643 3.542 -2.669 1.00 10.00 C ATOM 805 CG MET A 53 -6.427 2.637 -2.807 1.00 10.00 C ATOM 806 SD MET A 53 -5.748 2.333 -1.155 1.00 10.00 S ATOM 807 CE MET A 53 -5.554 0.550 -1.227 1.00 10.00 C ATOM 0 H MET A 53 -9.461 4.970 -2.562 1.00 10.00 H new ATOM 0 HA MET A 53 -7.355 4.688 -4.510 1.00 10.00 H new ATOM 0 HB2 MET A 53 -7.403 4.333 -1.959 1.00 10.00 H new ATOM 0 HB3 MET A 53 -8.456 2.960 -2.235 1.00 10.00 H new ATOM 0 HG2 MET A 53 -6.707 1.696 -3.281 1.00 10.00 H new ATOM 0 HG3 MET A 53 -5.677 3.105 -3.445 1.00 10.00 H new ATOM 0 HE1 MET A 53 -5.177 0.186 -0.271 1.00 10.00 H new ATOM 0 HE2 MET A 53 -6.518 0.087 -1.436 1.00 10.00 H new ATOM 0 HE3 MET A 53 -4.849 0.292 -2.017 1.00 10.00 H new ATOM 817 N PRO A 54 -8.180 3.012 -6.154 1.00 10.00 N ATOM 818 CA PRO A 54 -8.698 2.066 -7.135 1.00 10.00 C ATOM 819 C PRO A 54 -8.528 0.608 -6.666 1.00 10.00 C ATOM 820 O PRO A 54 -7.660 0.318 -5.836 1.00 10.00 O ATOM 821 CB PRO A 54 -7.916 2.359 -8.421 1.00 10.00 C ATOM 822 CG PRO A 54 -6.591 2.890 -7.886 1.00 10.00 C ATOM 823 CD PRO A 54 -7.017 3.705 -6.672 1.00 10.00 C ATOM 0 HA PRO A 54 -9.771 2.183 -7.287 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -7.780 1.463 -9.026 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -8.424 3.092 -9.047 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -5.913 2.082 -7.612 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -6.074 3.504 -8.624 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -6.221 3.754 -5.929 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -7.258 4.731 -6.949 1.00 10.00 H new ATOM 831 N PRO A 55 -9.344 -0.320 -7.195 1.00 10.00 N ATOM 832 CA PRO A 55 -9.262 -1.739 -6.867 1.00 10.00 C ATOM 833 C PRO A 55 -7.869 -2.283 -7.189 1.00 10.00 C ATOM 834 O PRO A 55 -7.234 -1.854 -8.155 1.00 10.00 O ATOM 835 CB PRO A 55 -10.379 -2.409 -7.675 1.00 10.00 C ATOM 836 CG PRO A 55 -10.564 -1.471 -8.869 1.00 10.00 C ATOM 837 CD PRO A 55 -10.319 -0.096 -8.253 1.00 10.00 C ATOM 0 HA PRO A 55 -9.401 -1.938 -5.804 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -10.098 -3.413 -7.993 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -11.295 -2.503 -7.092 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -9.856 -1.689 -9.669 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -11.563 -1.551 -9.297 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -9.940 0.606 -8.995 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -11.241 0.327 -7.855 1.00 10.00 H new ATOM 845 N GLY A 56 -7.340 -3.179 -6.347 1.00 10.00 N ATOM 846 CA GLY A 56 -5.984 -3.666 -6.554 1.00 10.00 C ATOM 847 C GLY A 56 -4.912 -2.592 -6.345 1.00 10.00 C ATOM 848 O GLY A 56 -3.802 -2.718 -6.866 1.00 10.00 O ATOM 0 H GLY A 56 -7.821 -3.570 -5.537 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -5.795 -4.494 -5.871 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -5.899 -4.062 -7.566 1.00 10.00 H new ATOM 852 N GLY A 57 -5.224 -1.528 -5.597 1.00 10.00 N ATOM 853 CA GLY A 57 -4.336 -0.388 -5.369 1.00 10.00 C ATOM 854 C GLY A 57 -3.669 0.163 -6.639 1.00 10.00 C ATOM 855 O GLY A 57 -2.566 0.698 -6.557 1.00 10.00 O ATOM 0 H GLY A 57 -6.123 -1.436 -5.123 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -4.906 0.412 -4.897 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.559 -0.684 -4.665 1.00 10.00 H new ATOM 859 N MET A 58 -4.334 0.035 -7.796 1.00 10.00 N ATOM 860 CA MET A 58 -3.858 0.455 -9.117 1.00 10.00 C ATOM 861 C MET A 58 -2.779 -0.468 -9.730 1.00 10.00 C ATOM 862 O MET A 58 -2.007 -0.035 -10.584 1.00 10.00 O ATOM 863 CB MET A 58 -3.412 1.930 -9.085 1.00 10.00 C ATOM 864 CG MET A 58 -3.733 2.623 -10.412 1.00 10.00 C ATOM 865 SD MET A 58 -2.987 4.256 -10.624 1.00 10.00 S ATOM 866 CE MET A 58 -3.781 4.735 -12.167 1.00 10.00 C ATOM 0 H MET A 58 -5.263 -0.385 -7.835 1.00 10.00 H new ATOM 0 HA MET A 58 -4.708 0.360 -9.792 1.00 10.00 H new ATOM 0 HB2 MET A 58 -3.913 2.449 -8.268 1.00 10.00 H new ATOM 0 HB3 MET A 58 -2.341 1.987 -8.889 1.00 10.00 H new ATOM 0 HG2 MET A 58 -3.403 1.981 -11.229 1.00 10.00 H new ATOM 0 HG3 MET A 58 -4.815 2.721 -10.501 1.00 10.00 H new ATOM 0 HE1 MET A 58 -3.439 5.728 -12.459 1.00 10.00 H new ATOM 0 HE2 MET A 58 -3.523 4.018 -12.947 1.00 10.00 H new ATOM 0 HE3 MET A 58 -4.862 4.749 -12.031 1.00 10.00 H new ATOM 876 N CYS A 59 -2.714 -1.739 -9.321 1.00 10.00 N ATOM 877 CA CYS A 59 -1.724 -2.699 -9.815 1.00 10.00 C ATOM 878 C CYS A 59 -2.246 -3.567 -10.977 1.00 10.00 C ATOM 879 O CYS A 59 -3.450 -3.768 -11.108 1.00 10.00 O ATOM 880 CB CYS A 59 -1.296 -3.574 -8.638 1.00 10.00 C ATOM 881 SG CYS A 59 0.092 -4.655 -9.012 1.00 10.00 S ATOM 0 H CYS A 59 -3.354 -2.133 -8.631 1.00 10.00 H new ATOM 0 HA CYS A 59 -0.878 -2.146 -10.223 1.00 10.00 H new ATOM 0 HB2 CYS A 59 -1.030 -2.933 -7.797 1.00 10.00 H new ATOM 0 HB3 CYS A 59 -2.144 -4.181 -8.320 1.00 10.00 H new ATOM 886 N THR A 60 -1.341 -4.100 -11.812 1.00 10.00 N ATOM 887 CA THR A 60 -1.678 -4.970 -12.945 1.00 10.00 C ATOM 888 C THR A 60 -2.191 -6.351 -12.497 1.00 10.00 C ATOM 889 O THR A 60 -3.398 -6.572 -12.471 1.00 10.00 O ATOM 890 CB THR A 60 -0.478 -5.076 -13.907 1.00 10.00 C ATOM 891 OG1 THR A 60 -0.068 -3.779 -14.290 1.00 10.00 O ATOM 892 CG2 THR A 60 -0.825 -5.856 -15.177 1.00 10.00 C ATOM 0 H THR A 60 -0.339 -3.935 -11.716 1.00 10.00 H new ATOM 0 HA THR A 60 -2.507 -4.512 -13.484 1.00 10.00 H new ATOM 0 HB THR A 60 0.315 -5.605 -13.378 1.00 10.00 H new ATOM 0 HG1 THR A 60 0.696 -3.844 -14.900 1.00 10.00 H new ATOM 0 HG21 THR A 60 0.050 -5.905 -15.825 1.00 10.00 H new ATOM 0 HG22 THR A 60 -1.136 -6.866 -14.910 1.00 10.00 H new ATOM 0 HG23 THR A 60 -1.637 -5.353 -15.702 1.00 10.00 H new ATOM 900 N ASP A 61 -1.285 -7.285 -12.171 1.00 10.00 N ATOM 901 CA ASP A 61 -1.614 -8.662 -11.794 1.00 10.00 C ATOM 902 C ASP A 61 -0.990 -9.015 -10.426 1.00 10.00 C ATOM 903 O ASP A 61 -0.392 -10.072 -10.241 1.00 10.00 O ATOM 904 CB ASP A 61 -1.162 -9.575 -12.952 1.00 10.00 C ATOM 905 CG ASP A 61 -1.712 -10.994 -12.874 1.00 10.00 C ATOM 906 OD1 ASP A 61 -2.722 -11.187 -12.164 1.00 10.00 O ATOM 907 OD2 ASP A 61 -1.137 -11.850 -13.578 1.00 10.00 O ATOM 0 H ASP A 61 -0.283 -7.097 -12.163 1.00 10.00 H new ATOM 0 HA ASP A 61 -2.686 -8.801 -11.652 1.00 10.00 H new ATOM 0 HB2 ASP A 61 -1.472 -9.127 -13.896 1.00 10.00 H new ATOM 0 HB3 ASP A 61 -0.073 -9.619 -12.963 1.00 10.00 H new ATOM 912 N CYS A 62 -1.078 -8.089 -9.462 1.00 10.00 N ATOM 913 CA CYS A 62 -0.515 -8.282 -8.122 1.00 10.00 C ATOM 914 C CYS A 62 -1.102 -9.523 -7.434 1.00 10.00 C ATOM 915 O CYS A 62 -2.321 -9.620 -7.297 1.00 10.00 O ATOM 916 CB CYS A 62 -0.789 -7.059 -7.237 1.00 10.00 C ATOM 917 SG CYS A 62 0.410 -5.706 -7.219 1.00 10.00 S ATOM 0 H CYS A 62 -1.540 -7.189 -9.590 1.00 10.00 H new ATOM 0 HA CYS A 62 0.559 -8.419 -8.248 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -1.750 -6.643 -7.538 1.00 10.00 H new ATOM 0 HB3 CYS A 62 -0.902 -7.413 -6.212 1.00 10.00 H new ATOM 922 N THR A 63 -0.246 -10.429 -6.949 1.00 10.00 N ATOM 923 CA THR A 63 -0.683 -11.646 -6.265 1.00 10.00 C ATOM 924 C THR A 63 -0.627 -11.431 -4.746 1.00 10.00 C ATOM 925 O THR A 63 -1.630 -11.082 -4.128 1.00 10.00 O ATOM 926 CB THR A 63 0.157 -12.836 -6.772 1.00 10.00 C ATOM 927 OG1 THR A 63 -0.199 -13.110 -8.111 1.00 10.00 O ATOM 928 CG2 THR A 63 -0.107 -14.137 -6.011 1.00 10.00 C ATOM 0 H THR A 63 0.767 -10.337 -7.021 1.00 10.00 H new ATOM 0 HA THR A 63 -1.722 -11.883 -6.493 1.00 10.00 H new ATOM 0 HB THR A 63 1.199 -12.543 -6.641 1.00 10.00 H new ATOM 0 HG1 THR A 63 0.331 -13.864 -8.443 1.00 10.00 H new ATOM 0 HG21 THR A 63 0.517 -14.931 -6.420 1.00 10.00 H new ATOM 0 HG22 THR A 63 0.130 -13.996 -4.956 1.00 10.00 H new ATOM 0 HG23 THR A 63 -1.157 -14.412 -6.113 1.00 10.00 H new ATOM 936 N ASP A 64 0.554 -11.613 -4.155 1.00 10.00 N ATOM 937 CA ASP A 64 0.862 -11.470 -2.745 1.00 10.00 C ATOM 938 C ASP A 64 2.349 -11.181 -2.558 1.00 10.00 C ATOM 939 O ASP A 64 2.708 -10.190 -1.935 1.00 10.00 O ATOM 940 CB ASP A 64 0.438 -12.730 -1.985 1.00 10.00 C ATOM 941 CG ASP A 64 -0.800 -12.533 -1.120 1.00 10.00 C ATOM 942 OD1 ASP A 64 -0.704 -11.686 -0.202 1.00 10.00 O ATOM 943 OD2 ASP A 64 -1.781 -13.278 -1.327 1.00 10.00 O ATOM 0 H ASP A 64 1.376 -11.884 -4.695 1.00 10.00 H new ATOM 0 HA ASP A 64 0.304 -10.627 -2.338 1.00 10.00 H new ATOM 0 HB2 ASP A 64 0.247 -13.529 -2.701 1.00 10.00 H new ATOM 0 HB3 ASP A 64 1.264 -13.058 -1.354 1.00 10.00 H new ATOM 948 N GLU A 65 3.221 -12.024 -3.118 1.00 10.00 N ATOM 949 CA GLU A 65 4.665 -11.837 -3.049 1.00 10.00 C ATOM 950 C GLU A 65 5.071 -10.426 -3.507 1.00 10.00 C ATOM 951 O GLU A 65 5.836 -9.742 -2.828 1.00 10.00 O ATOM 952 CB GLU A 65 5.359 -12.973 -3.818 1.00 10.00 C ATOM 953 CG GLU A 65 5.018 -13.042 -5.318 1.00 10.00 C ATOM 954 CD GLU A 65 5.608 -14.292 -5.961 1.00 10.00 C ATOM 955 OE1 GLU A 65 6.846 -14.310 -6.129 1.00 10.00 O ATOM 956 OE2 GLU A 65 4.814 -15.217 -6.237 1.00 10.00 O ATOM 0 H GLU A 65 2.939 -12.858 -3.633 1.00 10.00 H new ATOM 0 HA GLU A 65 5.002 -11.898 -2.014 1.00 10.00 H new ATOM 0 HB2 GLU A 65 6.438 -12.859 -3.710 1.00 10.00 H new ATOM 0 HB3 GLU A 65 5.091 -13.923 -3.355 1.00 10.00 H new ATOM 0 HG2 GLU A 65 3.936 -13.039 -5.448 1.00 10.00 H new ATOM 0 HG3 GLU A 65 5.402 -12.155 -5.822 1.00 10.00 H new ATOM 963 N ASP A 66 4.456 -9.946 -4.591 1.00 10.00 N ATOM 964 CA ASP A 66 4.741 -8.647 -5.193 1.00 10.00 C ATOM 965 C ASP A 66 4.147 -7.574 -4.253 1.00 10.00 C ATOM 966 O ASP A 66 4.779 -6.581 -3.892 1.00 10.00 O ATOM 967 CB ASP A 66 4.039 -8.545 -6.575 1.00 10.00 C ATOM 968 CG ASP A 66 3.488 -9.851 -7.125 1.00 10.00 C ATOM 969 OD1 ASP A 66 2.492 -10.316 -6.514 1.00 10.00 O ATOM 970 OD2 ASP A 66 4.043 -10.346 -8.122 1.00 10.00 O ATOM 0 H ASP A 66 3.729 -10.465 -5.084 1.00 10.00 H new ATOM 0 HA ASP A 66 5.814 -8.512 -5.329 1.00 10.00 H new ATOM 0 HB2 ASP A 66 3.220 -7.830 -6.496 1.00 10.00 H new ATOM 0 HB3 ASP A 66 4.749 -8.138 -7.295 1.00 10.00 H new ATOM 975 N TYR A 67 2.894 -7.804 -3.847 1.00 10.00 N ATOM 976 CA TYR A 67 2.067 -6.887 -3.071 1.00 10.00 C ATOM 977 C TYR A 67 2.691 -6.575 -1.703 1.00 10.00 C ATOM 978 O TYR A 67 2.882 -5.422 -1.319 1.00 10.00 O ATOM 979 CB TYR A 67 0.671 -7.528 -2.895 1.00 10.00 C ATOM 980 CG TYR A 67 -0.550 -6.764 -3.369 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.507 -5.390 -3.679 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.717 -7.501 -3.653 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.491 -4.840 -4.516 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.742 -6.922 -4.415 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.570 -5.632 -4.933 1.00 10.00 C ATOM 986 OH TYR A 67 -3.426 -5.175 -5.878 1.00 10.00 O ATOM 0 H TYR A 67 2.411 -8.676 -4.063 1.00 10.00 H new ATOM 0 HA TYR A 67 1.987 -5.940 -3.604 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.681 -8.487 -3.412 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.537 -7.739 -1.834 1.00 10.00 H new ATOM 0 HD1 TYR A 67 0.276 -4.765 -3.276 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.822 -8.511 -3.284 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.417 -3.812 -4.837 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -3.656 -7.466 -4.601 1.00 10.00 H new ATOM 0 HH TYR A 67 -3.083 -4.337 -6.253 1.00 10.00 H new ATOM 996 N LYS A 68 3.022 -7.634 -0.968 1.00 10.00 N ATOM 997 CA LYS A 68 3.646 -7.578 0.340 1.00 10.00 C ATOM 998 C LYS A 68 5.056 -7.016 0.196 1.00 10.00 C ATOM 999 O LYS A 68 5.411 -6.137 0.964 1.00 10.00 O ATOM 1000 CB LYS A 68 3.629 -8.948 1.041 1.00 10.00 C ATOM 1001 CG LYS A 68 2.508 -8.990 2.089 1.00 10.00 C ATOM 1002 CD LYS A 68 2.297 -10.417 2.614 1.00 10.00 C ATOM 1003 CE LYS A 68 1.384 -10.384 3.847 1.00 10.00 C ATOM 1004 NZ LYS A 68 0.945 -11.739 4.241 1.00 10.00 N ATOM 0 H LYS A 68 2.854 -8.589 -1.285 1.00 10.00 H new ATOM 0 HA LYS A 68 3.071 -6.912 0.983 1.00 10.00 H new ATOM 0 HB2 LYS A 68 3.481 -9.739 0.306 1.00 10.00 H new ATOM 0 HB3 LYS A 68 4.591 -9.133 1.519 1.00 10.00 H new ATOM 0 HG2 LYS A 68 2.756 -8.327 2.918 1.00 10.00 H new ATOM 0 HG3 LYS A 68 1.581 -8.620 1.650 1.00 10.00 H new ATOM 0 HD2 LYS A 68 1.853 -11.039 1.837 1.00 10.00 H new ATOM 0 HD3 LYS A 68 3.256 -10.866 2.872 1.00 10.00 H new ATOM 0 HE2 LYS A 68 1.912 -9.917 4.678 1.00 10.00 H new ATOM 0 HE3 LYS A 68 0.511 -9.766 3.637 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 0.344 -11.677 5.087 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 0.404 -12.169 3.463 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 1.777 -12.327 4.450 1.00 10.00 H new ATOM 1018 N ALA A 69 5.827 -7.425 -0.819 1.00 10.00 N ATOM 1019 CA ALA A 69 7.101 -6.771 -1.112 1.00 10.00 C ATOM 1020 C ALA A 69 6.958 -5.244 -1.312 1.00 10.00 C ATOM 1021 O ALA A 69 7.819 -4.462 -0.915 1.00 10.00 O ATOM 1022 CB ALA A 69 7.772 -7.455 -2.301 1.00 10.00 C ATOM 0 H ALA A 69 5.592 -8.197 -1.443 1.00 10.00 H new ATOM 0 HA ALA A 69 7.747 -6.884 -0.241 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.721 -6.964 -2.515 1.00 10.00 H new ATOM 0 HB2 ALA A 69 7.952 -8.504 -2.064 1.00 10.00 H new ATOM 0 HB3 ALA A 69 7.123 -7.387 -3.174 1.00 10.00 H new ATOM 1028 N ALA A 70 5.853 -4.785 -1.905 1.00 10.00 N ATOM 1029 CA ALA A 70 5.590 -3.355 -2.105 1.00 10.00 C ATOM 1030 C ALA A 70 5.228 -2.669 -0.780 1.00 10.00 C ATOM 1031 O ALA A 70 5.766 -1.619 -0.433 1.00 10.00 O ATOM 1032 CB ALA A 70 4.503 -3.164 -3.170 1.00 10.00 C ATOM 0 H ALA A 70 5.115 -5.393 -2.260 1.00 10.00 H new ATOM 0 HA ALA A 70 6.500 -2.876 -2.467 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.315 -2.100 -3.311 1.00 10.00 H new ATOM 0 HB2 ALA A 70 4.835 -3.602 -4.111 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.585 -3.655 -2.845 1.00 10.00 H new ATOM 1038 N ILE A 71 4.327 -3.291 -0.022 1.00 10.00 N ATOM 1039 CA ILE A 71 3.887 -2.840 1.301 1.00 10.00 C ATOM 1040 C ILE A 71 5.037 -2.848 2.337 1.00 10.00 C ATOM 1041 O ILE A 71 5.172 -1.937 3.160 1.00 10.00 O ATOM 1042 CB ILE A 71 2.647 -3.677 1.680 1.00 10.00 C ATOM 1043 CG1 ILE A 71 1.402 -3.104 0.980 1.00 10.00 C ATOM 1044 CG2 ILE A 71 2.504 -3.928 3.187 1.00 10.00 C ATOM 1045 CD1 ILE A 71 0.227 -4.083 0.966 1.00 10.00 C ATOM 0 H ILE A 71 3.867 -4.151 -0.320 1.00 10.00 H new ATOM 0 HA ILE A 71 3.593 -1.791 1.286 1.00 10.00 H new ATOM 0 HB ILE A 71 2.780 -4.690 1.300 1.00 10.00 H new ATOM 0 HG12 ILE A 71 1.098 -2.186 1.483 1.00 10.00 H new ATOM 0 HG13 ILE A 71 1.658 -2.836 -0.045 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.610 -4.522 3.374 1.00 10.00 H new ATOM 0 HG22 ILE A 71 3.380 -4.466 3.551 1.00 10.00 H new ATOM 0 HG23 ILE A 71 2.421 -2.974 3.708 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -0.623 -3.625 0.460 1.00 10.00 H new ATOM 0 HD12 ILE A 71 0.517 -4.992 0.438 1.00 10.00 H new ATOM 0 HD13 ILE A 71 -0.052 -4.331 1.990 1.00 10.00 H new ATOM 1057 N GLU A 72 5.919 -3.848 2.266 1.00 10.00 N ATOM 1058 CA GLU A 72 7.102 -3.971 3.111 1.00 10.00 C ATOM 1059 C GLU A 72 8.155 -2.935 2.737 1.00 10.00 C ATOM 1060 O GLU A 72 8.856 -2.438 3.618 1.00 10.00 O ATOM 1061 CB GLU A 72 7.623 -5.415 3.188 1.00 10.00 C ATOM 1062 CG GLU A 72 8.670 -5.732 2.121 1.00 10.00 C ATOM 1063 CD GLU A 72 9.111 -7.191 2.113 1.00 10.00 C ATOM 1064 OE1 GLU A 72 8.255 -8.053 2.408 1.00 10.00 O ATOM 1065 OE2 GLU A 72 10.302 -7.415 1.812 1.00 10.00 O ATOM 0 H GLU A 72 5.824 -4.614 1.599 1.00 10.00 H new ATOM 0 HA GLU A 72 6.812 -3.739 4.136 1.00 10.00 H new ATOM 0 HB2 GLU A 72 8.054 -5.587 4.174 1.00 10.00 H new ATOM 0 HB3 GLU A 72 6.785 -6.104 3.082 1.00 10.00 H new ATOM 0 HG2 GLU A 72 8.266 -5.478 1.141 1.00 10.00 H new ATOM 0 HG3 GLU A 72 9.542 -5.098 2.280 1.00 10.00 H new ATOM 1072 N PHE A 73 8.203 -2.539 1.458 1.00 10.00 N ATOM 1073 CA PHE A 73 9.047 -1.420 1.050 1.00 10.00 C ATOM 1074 C PHE A 73 8.788 -0.138 1.875 1.00 10.00 C ATOM 1075 O PHE A 73 9.699 0.663 2.069 1.00 10.00 O ATOM 1076 CB PHE A 73 8.885 -1.177 -0.455 1.00 10.00 C ATOM 1077 CG PHE A 73 10.122 -0.592 -1.103 1.00 10.00 C ATOM 1078 CD1 PHE A 73 10.415 0.779 -0.979 1.00 10.00 C ATOM 1079 CD2 PHE A 73 11.035 -1.445 -1.751 1.00 10.00 C ATOM 1080 CE1 PHE A 73 11.586 1.304 -1.554 1.00 10.00 C ATOM 1081 CE2 PHE A 73 12.210 -0.921 -2.317 1.00 10.00 C ATOM 1082 CZ PHE A 73 12.471 0.457 -2.242 1.00 10.00 C ATOM 0 H PHE A 73 7.674 -2.973 0.702 1.00 10.00 H new ATOM 0 HA PHE A 73 10.083 -1.689 1.255 1.00 10.00 H new ATOM 0 HB2 PHE A 73 8.638 -2.119 -0.944 1.00 10.00 H new ATOM 0 HB3 PHE A 73 8.044 -0.503 -0.619 1.00 10.00 H new ATOM 0 HD1 PHE A 73 9.740 1.428 -0.442 1.00 10.00 H new ATOM 0 HD2 PHE A 73 10.832 -2.504 -1.813 1.00 10.00 H new ATOM 0 HE1 PHE A 73 11.805 2.358 -1.467 1.00 10.00 H new ATOM 0 HE2 PHE A 73 12.912 -1.578 -2.809 1.00 10.00 H new ATOM 0 HZ PHE A 73 13.352 0.866 -2.713 1.00 10.00 H new ATOM 1092 N MET A 74 7.555 0.066 2.365 1.00 10.00 N ATOM 1093 CA MET A 74 7.196 1.227 3.183 1.00 10.00 C ATOM 1094 C MET A 74 7.396 0.976 4.686 1.00 10.00 C ATOM 1095 O MET A 74 8.303 1.544 5.289 1.00 10.00 O ATOM 1096 CB MET A 74 5.761 1.660 2.864 1.00 10.00 C ATOM 1097 CG MET A 74 5.693 2.242 1.440 1.00 10.00 C ATOM 1098 SD MET A 74 4.060 2.696 0.797 1.00 10.00 S ATOM 1099 CE MET A 74 3.382 1.079 0.377 1.00 10.00 C ATOM 0 H MET A 74 6.778 -0.575 2.202 1.00 10.00 H new ATOM 0 HA MET A 74 7.874 2.041 2.927 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.087 0.808 2.950 1.00 10.00 H new ATOM 0 HB3 MET A 74 5.427 2.405 3.587 1.00 10.00 H new ATOM 0 HG2 MET A 74 6.325 3.130 1.409 1.00 10.00 H new ATOM 0 HG3 MET A 74 6.132 1.514 0.758 1.00 10.00 H new ATOM 0 HE1 MET A 74 3.039 1.086 -0.658 1.00 10.00 H new ATOM 0 HE2 MET A 74 4.153 0.318 0.498 1.00 10.00 H new ATOM 0 HE3 MET A 74 2.543 0.854 1.036 1.00 10.00 H new ATOM 1109 N SER A 75 6.532 0.166 5.312 1.00 10.00 N ATOM 1110 CA SER A 75 6.691 -0.197 6.729 1.00 10.00 C ATOM 1111 C SER A 75 5.948 -1.492 7.091 1.00 10.00 C ATOM 1112 O SER A 75 5.391 -1.626 8.177 1.00 10.00 O ATOM 1113 CB SER A 75 6.314 0.976 7.652 1.00 10.00 C ATOM 1114 OG SER A 75 7.141 0.972 8.800 1.00 10.00 O ATOM 0 H SER A 75 5.717 -0.250 4.862 1.00 10.00 H new ATOM 0 HA SER A 75 7.748 -0.406 6.891 1.00 10.00 H new ATOM 0 HB2 SER A 75 6.423 1.920 7.118 1.00 10.00 H new ATOM 0 HB3 SER A 75 5.268 0.896 7.947 1.00 10.00 H new ATOM 0 HG SER A 75 6.897 1.722 9.382 1.00 10.00 H new ATOM 1120 N LYS A 76 5.960 -2.459 6.166 1.00 10.00 N ATOM 1121 CA LYS A 76 5.459 -3.826 6.340 1.00 10.00 C ATOM 1122 C LYS A 76 4.148 -3.931 7.123 1.00 10.00 C ATOM 1123 O LYS A 76 4.050 -4.670 8.100 1.00 10.00 O ATOM 1124 CB LYS A 76 6.578 -4.750 6.848 1.00 10.00 C ATOM 1125 CG LYS A 76 7.280 -4.256 8.119 1.00 10.00 C ATOM 1126 CD LYS A 76 8.284 -5.304 8.618 1.00 10.00 C ATOM 1127 CE LYS A 76 7.582 -6.368 9.470 1.00 10.00 C ATOM 1128 NZ LYS A 76 8.484 -7.498 9.773 1.00 10.00 N ATOM 0 H LYS A 76 6.337 -2.301 5.232 1.00 10.00 H new ATOM 0 HA LYS A 76 5.168 -4.185 5.353 1.00 10.00 H new ATOM 0 HB2 LYS A 76 6.158 -5.737 7.040 1.00 10.00 H new ATOM 0 HB3 LYS A 76 7.321 -4.868 6.059 1.00 10.00 H new ATOM 0 HG2 LYS A 76 7.795 -3.317 7.916 1.00 10.00 H new ATOM 0 HG3 LYS A 76 6.541 -4.053 8.894 1.00 10.00 H new ATOM 0 HD2 LYS A 76 8.775 -5.778 7.768 1.00 10.00 H new ATOM 0 HD3 LYS A 76 9.063 -4.817 9.205 1.00 10.00 H new ATOM 0 HE2 LYS A 76 7.233 -5.919 10.400 1.00 10.00 H new ATOM 0 HE3 LYS A 76 6.701 -6.735 8.943 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 7.979 -8.200 10.351 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 8.797 -7.940 8.885 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 9.312 -7.150 10.297 1.00 10.00 H new ATOM 1142 N ALA A 77 3.129 -3.227 6.626 1.00 10.00 N ATOM 1143 CA ALA A 77 1.750 -3.339 7.085 1.00 10.00 C ATOM 1144 C ALA A 77 0.771 -2.813 6.038 1.00 10.00 C ATOM 1145 O ALA A 77 0.133 -3.600 5.349 1.00 10.00 O ATOM 1146 CB ALA A 77 1.569 -2.653 8.435 1.00 10.00 C ATOM 0 H ALA A 77 3.247 -2.547 5.875 1.00 10.00 H new ATOM 0 HA ALA A 77 1.524 -4.396 7.225 1.00 10.00 H new ATOM 0 HB1 ALA A 77 0.532 -2.750 8.756 1.00 10.00 H new ATOM 0 HB2 ALA A 77 2.222 -3.121 9.171 1.00 10.00 H new ATOM 0 HB3 ALA A 77 1.823 -1.597 8.343 1.00 10.00 H new ATOM 1152 N LYS A 78 0.644 -1.488 5.955 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.300 -0.826 5.059 1.00 10.00 C ATOM 1154 C LYS A 78 0.325 -0.441 3.703 1.00 10.00 C ATOM 1155 O LYS A 78 1.416 -0.940 3.383 1.00 10.00 O ATOM 1156 CB LYS A 78 -0.999 0.309 5.838 1.00 10.00 C ATOM 1157 CG LYS A 78 -0.177 1.591 6.028 1.00 10.00 C ATOM 1158 CD LYS A 78 -0.920 2.859 5.587 1.00 10.00 C ATOM 1159 CE LYS A 78 -1.229 2.838 4.084 1.00 10.00 C ATOM 1160 NZ LYS A 78 -0.013 2.876 3.246 1.00 10.00 N ATOM 1161 OXT LYS A 78 -0.271 0.376 2.974 1.00 10.00 O ATOM 0 H LYS A 78 1.199 -0.840 6.514 1.00 10.00 H new ATOM 0 HA LYS A 78 -1.081 -1.519 4.748 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -1.923 0.565 5.319 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -1.280 -0.069 6.821 1.00 10.00 H new ATOM 0 HG2 LYS A 78 0.098 1.686 7.079 1.00 10.00 H new ATOM 0 HG3 LYS A 78 0.751 1.507 5.462 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -1.849 2.951 6.149 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -0.317 3.736 5.823 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -1.799 1.939 3.848 1.00 10.00 H new ATOM 0 HE3 LYS A 78 -1.861 3.691 3.836 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 -0.035 3.721 2.640 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 0.828 2.910 3.856 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 0.025 2.024 2.651 1.00 10.00 H new TER 1175 LYS A 78 HETATM 1176 FE HEC A 90 -3.690 3.418 -0.722 1.00 10.00 FE HETATM 1177 CHA HEC A 90 -5.391 3.867 2.320 1.00 10.00 C HETATM 1178 CHB HEC A 90 -2.079 0.628 0.541 1.00 10.00 C HETATM 1179 CHC HEC A 90 -2.385 2.885 -3.850 1.00 10.00 C HETATM 1180 CHD HEC A 90 -5.146 6.387 -1.826 1.00 10.00 C HETATM 1181 NA HEC A 90 -3.756 2.415 1.079 1.00 10.00 N HETATM 1182 C1A HEC A 90 -4.567 2.748 2.139 1.00 10.00 C HETATM 1183 C2A HEC A 90 -4.410 1.714 3.126 1.00 10.00 C HETATM 1184 C3A HEC A 90 -3.562 0.769 2.591 1.00 10.00 C HETATM 1185 C4A HEC A 90 -3.050 1.273 1.341 1.00 10.00 C HETATM 1186 CMA HEC A 90 -3.345 -0.614 3.120 1.00 10.00 C HETATM 1187 CAA HEC A 90 -5.063 1.676 4.491 1.00 10.00 C HETATM 1188 CBA HEC A 90 -6.541 1.276 4.436 1.00 10.00 C HETATM 1189 CGA HEC A 90 -7.044 0.704 5.754 1.00 10.00 C HETATM 1190 O1A HEC A 90 -7.959 -0.145 5.671 1.00 10.00 O HETATM 1191 O2A HEC A 90 -6.493 1.095 6.807 1.00 10.00 O HETATM 1192 NB HEC A 90 -2.449 2.013 -1.509 1.00 10.00 N HETATM 1193 C1B HEC A 90 -1.846 1.011 -0.790 1.00 10.00 C HETATM 1194 C2B HEC A 90 -0.898 0.371 -1.668 1.00 10.00 C HETATM 1195 C3B HEC A 90 -1.032 0.957 -2.914 1.00 10.00 C HETATM 1196 C4B HEC A 90 -2.015 2.013 -2.804 1.00 10.00 C HETATM 1197 CMB HEC A 90 0.087 -0.710 -1.257 1.00 10.00 C HETATM 1198 CAB HEC A 90 -0.153 0.701 -4.120 1.00 10.00 C HETATM 1199 CBB HEC A 90 -0.155 -0.760 -4.598 1.00 10.00 C HETATM 1200 NC HEC A 90 -3.771 4.441 -2.509 1.00 10.00 N HETATM 1201 C1C HEC A 90 -3.198 4.015 -3.670 1.00 10.00 C HETATM 1202 C2C HEC A 90 -3.580 4.960 -4.701 1.00 10.00 C HETATM 1203 C3C HEC A 90 -4.315 5.956 -4.088 1.00 10.00 C HETATM 1204 C4C HEC A 90 -4.442 5.602 -2.709 1.00 10.00 C HETATM 1205 CMC HEC A 90 -3.276 4.869 -6.182 1.00 10.00 C HETATM 1206 CAC HEC A 90 -4.860 7.229 -4.704 1.00 10.00 C HETATM 1207 CBC HEC A 90 -6.357 7.261 -4.997 1.00 10.00 C HETATM 1208 ND HEC A 90 -4.953 4.948 0.153 1.00 10.00 N HETATM 1209 C1D HEC A 90 -5.371 6.049 -0.505 1.00 10.00 C HETATM 1210 C2D HEC A 90 -6.161 6.834 0.403 1.00 10.00 C HETATM 1211 C3D HEC A 90 -6.302 6.107 1.565 1.00 10.00 C HETATM 1212 C4D HEC A 90 -5.506 4.905 1.399 1.00 10.00 C HETATM 1213 CMD HEC A 90 -6.753 8.186 0.094 1.00 10.00 C HETATM 1214 CAD HEC A 90 -7.285 6.436 2.680 1.00 10.00 C HETATM 1215 CBD HEC A 90 -6.718 6.834 4.053 1.00 10.00 C HETATM 1216 CGD HEC A 90 -6.406 5.639 4.952 1.00 10.00 C HETATM 1217 O1D HEC A 90 -5.211 5.382 5.212 1.00 10.00 O HETATM 1218 O2D HEC A 90 -7.382 4.961 5.332 1.00 10.00 O HETATM 0 HMD3 HEC A 90 -5.954 8.886 -0.149 1.00 10.00 H new HETATM 0 HMD2 HEC A 90 -7.431 8.101 -0.755 1.00 10.00 H new HETATM 0 HMD1 HEC A 90 -7.303 8.550 0.962 1.00 10.00 H new HETATM 0 HMC3 HEC A 90 -2.196 4.851 -6.331 1.00 10.00 H new HETATM 0 HMC2 HEC A 90 -3.714 3.957 -6.588 1.00 10.00 H new HETATM 0 HMC1 HEC A 90 -3.698 5.734 -6.694 1.00 10.00 H new HETATM 0 HMB3 HEC A 90 0.748 -0.324 -0.481 1.00 10.00 H new HETATM 0 HMB2 HEC A 90 -0.458 -1.572 -0.873 1.00 10.00 H new HETATM 0 HMB1 HEC A 90 0.679 -1.010 -2.121 1.00 10.00 H new HETATM 0 HMA3 HEC A 90 -2.968 -0.558 4.141 1.00 10.00 H new HETATM 0 HMA2 HEC A 90 -4.289 -1.159 3.111 1.00 10.00 H new HETATM 0 HMA1 HEC A 90 -2.620 -1.133 2.494 1.00 10.00 H new HETATM 0 HBD2 HEC A 90 -5.808 7.416 3.907 1.00 10.00 H new HETATM 0 HBD1 HEC A 90 -7.433 7.482 4.559 1.00 10.00 H new HETATM 0 HBC3 HEC A 90 -6.608 6.463 -5.696 1.00 10.00 H new HETATM 0 HBC2 HEC A 90 -6.912 7.120 -4.070 1.00 10.00 H new HETATM 0 HBC1 HEC A 90 -6.622 8.223 -5.435 1.00 10.00 H new HETATM 0 HBB3 HEC A 90 0.204 -1.406 -3.796 1.00 10.00 H new HETATM 0 HBB2 HEC A 90 -1.169 -1.052 -4.872 1.00 10.00 H new HETATM 0 HBB1 HEC A 90 0.498 -0.860 -5.465 1.00 10.00 H new HETATM 0 HBA2 HEC A 90 -7.139 2.148 4.171 1.00 10.00 H new HETATM 0 HBA1 HEC A 90 -6.685 0.539 3.646 1.00 10.00 H new HETATM 0 HAD2 HEC A 90 -7.921 7.250 2.334 1.00 10.00 H new HETATM 0 HAD1 HEC A 90 -7.928 5.568 2.824 1.00 10.00 H new HETATM 0 HAA2 HEC A 90 -4.525 0.972 5.126 1.00 10.00 H new HETATM 0 HAA1 HEC A 90 -4.975 2.657 4.957 1.00 10.00 H new HETATM 0 HHD HEC A 90 -5.550 7.332 -2.190 1.00 10.00 H new HETATM 0 HHC HEC A 90 -2.019 2.669 -4.854 1.00 10.00 H new HETATM 0 HHB HEC A 90 -1.496 -0.188 0.968 1.00 10.00 H new HETATM 0 HHA HEC A 90 -5.977 3.929 3.237 1.00 10.00 H new HETATM 0 H2D HEC A 90 -7.065 4.200 5.862 1.00 10.00 H new HETATM 0 H2A HEC A 90 -7.034 0.826 7.579 1.00 10.00 H new