USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 731 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 79 THR OG1 : rot 173:sc= 0.555 USER MOD Set 1.2: A 82 GLN : amide:sc= 1.4 K(o=2,f=-0.7) USER MOD Set 2.1: A 18 THR OG1 : rot -140:sc= 1.51 USER MOD Set 2.2: A 38 HIS : no HE2:sc= 0.472 K(o=2,f=-8!) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.14 (180deg=-0.636) USER MOD Single : A 1 MET N :NH3+ -159:sc= 0.81 (180deg=0.472) USER MOD Single : A 5 SER OG : rot 180:sc= 0.156 USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS :FLIP no HD1:sc= -0.0901 F(o=-0.74,f=-0.09) USER MOD Single : A 34 SER OG : rot 32:sc= 0.261 USER MOD Single : A 35 SER OG : rot 148:sc= 0.426 USER MOD Single : A 37 MET CE :methyl -177:sc= -0.887 (180deg=-0.935) USER MOD Single : A 44 ASN : amide:sc= 0.668 K(o=0.67,f=-1.2!) USER MOD Single : A 46 SER OG : rot -90:sc= 0.316 USER MOD Single : A 47 SER OG : rot 92:sc= 0.929 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -141:sc= 1.27 (180deg=0.804) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.156 F(o=-1.8!,f=-0.16) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -89:sc= 1.68 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 76 GLN : amide:sc= 0.031 X(o=0.031,f=-0.0033) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0.976 K(o=0.98,f=-0.55) USER MOD Single : A 83 ASN : amide:sc= 1.2 K(o=1.2,f=-8.7!) USER MOD Single : A 92 SER OG : rot -87:sc= 1.11 USER MOD Single : A 97 ASN : amide:sc= 1.19 K(o=1.2,f=-0.059) USER MOD Single : A 100 LYS NZ :NH3+ -129:sc= 1.2 (180deg=0.0254) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.515 -3.090 -2.050 1.00 0.00 N ATOM 2 CA MET A 1 -13.701 -4.322 -2.031 1.00 0.00 C ATOM 3 C MET A 1 -12.658 -4.286 -3.139 1.00 0.00 C ATOM 4 O MET A 1 -12.972 -3.986 -4.288 1.00 0.00 O ATOM 5 CB MET A 1 -14.599 -5.552 -2.201 1.00 0.00 C ATOM 6 CG MET A 1 -13.844 -6.872 -2.151 1.00 0.00 C ATOM 7 SD MET A 1 -14.914 -8.306 -2.391 1.00 0.00 S ATOM 8 CE MET A 1 -16.021 -8.145 -0.989 1.00 0.00 C ATOM 0 H1 MET A 1 -14.960 -2.954 -1.120 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.906 -2.275 -2.265 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.253 -3.173 -2.778 1.00 0.00 H new ATOM 0 HA MET A 1 -13.191 -4.384 -1.070 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.358 -5.548 -1.419 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.123 -5.479 -3.154 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.070 -6.871 -2.918 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.339 -6.959 -1.189 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.508 -9.101 -0.798 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.452 -7.846 -0.109 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.776 -7.390 -1.207 1.00 0.00 H new ATOM 20 N LEU A 2 -11.421 -4.598 -2.789 1.00 0.00 N ATOM 21 CA LEU A 2 -10.344 -4.650 -3.756 1.00 0.00 C ATOM 22 C LEU A 2 -10.308 -6.028 -4.397 1.00 0.00 C ATOM 23 O LEU A 2 -9.783 -6.987 -3.825 1.00 0.00 O ATOM 24 CB LEU A 2 -9.002 -4.334 -3.087 1.00 0.00 C ATOM 25 CG LEU A 2 -7.793 -4.303 -4.028 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.951 -3.204 -5.069 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.510 -4.110 -3.232 1.00 0.00 C ATOM 0 H LEU A 2 -11.139 -4.820 -1.834 1.00 0.00 H new ATOM 0 HA LEU A 2 -10.520 -3.900 -4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -9.081 -3.366 -2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.818 -5.076 -2.310 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.735 -5.258 -4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -7.082 -3.199 -5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.851 -3.386 -5.657 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.034 -2.239 -4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.659 -4.090 -3.913 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.559 -3.169 -2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.392 -4.933 -2.527 1.00 0.00 H new ATOM 39 N VAL A 3 -10.929 -6.133 -5.552 1.00 0.00 N ATOM 40 CA VAL A 3 -10.926 -7.373 -6.308 1.00 0.00 C ATOM 41 C VAL A 3 -9.590 -7.538 -7.021 1.00 0.00 C ATOM 42 O VAL A 3 -9.268 -6.780 -7.940 1.00 0.00 O ATOM 43 CB VAL A 3 -12.073 -7.409 -7.340 1.00 0.00 C ATOM 44 CG1 VAL A 3 -12.074 -8.727 -8.103 1.00 0.00 C ATOM 45 CG2 VAL A 3 -13.414 -7.185 -6.655 1.00 0.00 C ATOM 0 H VAL A 3 -11.446 -5.372 -5.992 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.076 -8.194 -5.607 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.913 -6.603 -8.056 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -12.891 -8.729 -8.824 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.126 -8.844 -8.628 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -12.206 -9.552 -7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -14.211 -7.214 -7.398 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -13.580 -7.968 -5.915 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -13.413 -6.213 -6.161 1.00 0.00 H new ATOM 55 N ILE A 4 -8.803 -8.508 -6.574 1.00 0.00 N ATOM 56 CA ILE A 4 -7.491 -8.745 -7.156 1.00 0.00 C ATOM 57 C ILE A 4 -7.553 -9.893 -8.153 1.00 0.00 C ATOM 58 O ILE A 4 -6.964 -9.825 -9.232 1.00 0.00 O ATOM 59 CB ILE A 4 -6.441 -9.066 -6.071 1.00 0.00 C ATOM 60 CG1 ILE A 4 -6.399 -7.945 -5.033 1.00 0.00 C ATOM 61 CG2 ILE A 4 -5.066 -9.264 -6.697 1.00 0.00 C ATOM 62 CD1 ILE A 4 -5.448 -8.214 -3.889 1.00 0.00 C ATOM 0 H ILE A 4 -9.050 -9.141 -5.813 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.191 -7.831 -7.668 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.726 -9.993 -5.574 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -6.109 -7.017 -5.525 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.402 -7.794 -4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.340 -9.489 -5.916 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.105 -10.091 -7.406 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.769 -8.354 -7.217 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.471 -7.376 -3.192 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.750 -9.125 -3.372 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.437 -8.335 -4.277 1.00 0.00 H new ATOM 74 N SER A 5 -8.281 -10.939 -7.793 1.00 0.00 N ATOM 75 CA SER A 5 -8.389 -12.110 -8.641 1.00 0.00 C ATOM 76 C SER A 5 -9.708 -12.825 -8.372 1.00 0.00 C ATOM 77 O SER A 5 -10.531 -12.347 -7.590 1.00 0.00 O ATOM 78 CB SER A 5 -7.202 -13.050 -8.388 1.00 0.00 C ATOM 79 OG SER A 5 -7.099 -14.039 -9.402 1.00 0.00 O ATOM 0 H SER A 5 -8.804 -10.998 -6.920 1.00 0.00 H new ATOM 0 HA SER A 5 -8.369 -11.801 -9.686 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.279 -12.471 -8.347 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.318 -13.532 -7.418 1.00 0.00 H new ATOM 0 HG SER A 5 -6.333 -14.621 -9.215 1.00 0.00 H new ATOM 85 N ASN A 6 -9.895 -13.970 -9.010 1.00 0.00 N ATOM 86 CA ASN A 6 -11.136 -14.728 -8.901 1.00 0.00 C ATOM 87 C ASN A 6 -11.354 -15.215 -7.469 1.00 0.00 C ATOM 88 O ASN A 6 -12.455 -15.111 -6.927 1.00 0.00 O ATOM 89 CB ASN A 6 -11.108 -15.914 -9.869 1.00 0.00 C ATOM 90 CG ASN A 6 -12.432 -16.658 -9.946 1.00 0.00 C ATOM 91 OD1 ASN A 6 -13.499 -16.081 -9.740 1.00 0.00 O ATOM 92 ND2 ASN A 6 -12.374 -17.943 -10.263 1.00 0.00 N ATOM 0 H ASN A 6 -9.196 -14.400 -9.616 1.00 0.00 H new ATOM 0 HA ASN A 6 -11.966 -14.073 -9.164 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -10.842 -15.556 -10.864 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -10.326 -16.608 -9.560 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -13.233 -18.488 -10.343 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -11.471 -18.388 -10.427 1.00 0.00 H new ATOM 99 N ASN A 7 -10.298 -15.737 -6.851 1.00 0.00 N ATOM 100 CA ASN A 7 -10.388 -16.229 -5.480 1.00 0.00 C ATOM 101 C ASN A 7 -9.666 -15.305 -4.510 1.00 0.00 C ATOM 102 O ASN A 7 -9.450 -15.657 -3.352 1.00 0.00 O ATOM 103 CB ASN A 7 -9.799 -17.637 -5.363 1.00 0.00 C ATOM 104 CG ASN A 7 -10.625 -18.686 -6.078 1.00 0.00 C ATOM 105 OD1 ASN A 7 -10.385 -18.988 -7.249 1.00 0.00 O ATOM 106 ND2 ASN A 7 -11.600 -19.250 -5.382 1.00 0.00 N ATOM 0 H ASN A 7 -9.375 -15.830 -7.275 1.00 0.00 H new ATOM 0 HA ASN A 7 -11.446 -16.257 -5.221 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.789 -17.637 -5.772 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -9.716 -17.904 -4.309 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -12.187 -19.964 -5.813 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -11.764 -18.970 -4.415 1.00 0.00 H new ATOM 113 N VAL A 8 -9.305 -14.116 -4.973 1.00 0.00 N ATOM 114 CA VAL A 8 -8.596 -13.168 -4.130 1.00 0.00 C ATOM 115 C VAL A 8 -9.341 -11.842 -4.082 1.00 0.00 C ATOM 116 O VAL A 8 -9.498 -11.160 -5.098 1.00 0.00 O ATOM 117 CB VAL A 8 -7.149 -12.926 -4.624 1.00 0.00 C ATOM 118 CG1 VAL A 8 -6.404 -11.993 -3.681 1.00 0.00 C ATOM 119 CG2 VAL A 8 -6.400 -14.243 -4.773 1.00 0.00 C ATOM 0 H VAL A 8 -9.490 -13.788 -5.921 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.547 -13.600 -3.131 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.204 -12.451 -5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.390 -11.838 -4.049 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.923 -11.035 -3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.365 -12.436 -2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.386 -14.047 -5.121 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.361 -14.751 -3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.916 -14.875 -5.496 1.00 0.00 H new ATOM 129 N HIS A 9 -9.785 -11.483 -2.891 1.00 0.00 N ATOM 130 CA HIS A 9 -10.507 -10.237 -2.665 1.00 0.00 C ATOM 131 C HIS A 9 -10.070 -9.632 -1.338 1.00 0.00 C ATOM 132 O HIS A 9 -9.886 -10.351 -0.360 1.00 0.00 O ATOM 133 CB HIS A 9 -12.024 -10.475 -2.626 1.00 0.00 C ATOM 134 CG HIS A 9 -12.582 -11.166 -3.836 1.00 0.00 C ATOM 135 ND1 HIS A 9 -12.816 -10.717 -5.090 1.00 0.00 N flip ATOM 136 CD2 HIS A 9 -12.982 -12.484 -3.824 1.00 0.00 C flip ATOM 137 CE1 HIS A 9 -13.344 -11.763 -5.807 1.00 0.00 C flip ATOM 138 NE2 HIS A 9 -13.434 -12.816 -5.018 1.00 0.00 N flip ATOM 0 H HIS A 9 -9.657 -12.046 -2.050 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.280 -9.558 -3.487 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -12.262 -11.068 -1.743 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.526 -9.514 -2.509 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -12.933 -13.143 -2.970 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -13.637 -11.729 -6.846 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -13.793 -13.733 -5.286 1.00 0.00 H new ATOM 147 N LEU A 10 -9.893 -8.321 -1.306 1.00 0.00 N ATOM 148 CA LEU A 10 -9.528 -7.641 -0.075 1.00 0.00 C ATOM 149 C LEU A 10 -10.603 -6.645 0.329 1.00 0.00 C ATOM 150 O LEU A 10 -10.970 -5.768 -0.453 1.00 0.00 O ATOM 151 CB LEU A 10 -8.188 -6.925 -0.231 1.00 0.00 C ATOM 152 CG LEU A 10 -6.965 -7.835 -0.310 1.00 0.00 C ATOM 153 CD1 LEU A 10 -5.707 -7.006 -0.494 1.00 0.00 C ATOM 154 CD2 LEU A 10 -6.858 -8.688 0.941 1.00 0.00 C ATOM 0 H LEU A 10 -9.996 -7.709 -2.115 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.435 -8.393 0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.224 -6.314 -1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.059 -6.244 0.610 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.077 -8.496 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.841 -7.666 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.783 -6.429 -1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.592 -6.327 0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.981 -9.331 0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.764 -8.043 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.752 -9.304 1.039 1.00 0.00 H new ATOM 166 N PRO A 11 -11.144 -6.788 1.542 1.00 0.00 N ATOM 167 CA PRO A 11 -12.082 -5.820 2.102 1.00 0.00 C ATOM 168 C PRO A 11 -11.436 -4.449 2.261 1.00 0.00 C ATOM 169 O PRO A 11 -10.269 -4.343 2.638 1.00 0.00 O ATOM 170 CB PRO A 11 -12.444 -6.405 3.472 1.00 0.00 C ATOM 171 CG PRO A 11 -12.069 -7.843 3.392 1.00 0.00 C ATOM 172 CD PRO A 11 -10.893 -7.904 2.459 1.00 0.00 C ATOM 0 HA PRO A 11 -12.950 -5.668 1.460 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.902 -5.900 4.272 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.507 -6.286 3.683 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.810 -8.235 4.375 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.898 -8.444 3.017 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.949 -7.785 2.991 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.844 -8.857 1.932 1.00 0.00 H new ATOM 180 N ASP A 12 -12.211 -3.414 1.974 1.00 0.00 N ATOM 181 CA ASP A 12 -11.742 -2.038 2.023 1.00 0.00 C ATOM 182 C ASP A 12 -11.171 -1.707 3.393 1.00 0.00 C ATOM 183 O ASP A 12 -10.162 -1.015 3.519 1.00 0.00 O ATOM 184 CB ASP A 12 -12.906 -1.097 1.729 1.00 0.00 C ATOM 185 CG ASP A 12 -13.622 -1.417 0.427 1.00 0.00 C ATOM 186 OD1 ASP A 12 -13.095 -1.093 -0.657 1.00 0.00 O ATOM 187 OD2 ASP A 12 -14.724 -2.004 0.486 1.00 0.00 O ATOM 0 H ASP A 12 -13.189 -3.506 1.699 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.957 -1.915 1.277 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.621 -1.146 2.551 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.535 -0.073 1.690 1.00 0.00 H new ATOM 192 N ALA A 13 -11.846 -2.212 4.413 1.00 0.00 N ATOM 193 CA ALA A 13 -11.488 -1.966 5.805 1.00 0.00 C ATOM 194 C ALA A 13 -10.090 -2.481 6.163 1.00 0.00 C ATOM 195 O ALA A 13 -9.498 -2.032 7.144 1.00 0.00 O ATOM 196 CB ALA A 13 -12.518 -2.603 6.723 1.00 0.00 C ATOM 0 H ALA A 13 -12.665 -2.809 4.300 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.475 -0.885 5.942 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.245 -2.416 7.762 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.499 -2.173 6.523 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.549 -3.678 6.544 1.00 0.00 H new ATOM 202 N GLU A 14 -9.553 -3.410 5.377 1.00 0.00 N ATOM 203 CA GLU A 14 -8.249 -3.991 5.689 1.00 0.00 C ATOM 204 C GLU A 14 -7.120 -3.114 5.162 1.00 0.00 C ATOM 205 O GLU A 14 -5.939 -3.442 5.299 1.00 0.00 O ATOM 206 CB GLU A 14 -8.127 -5.411 5.138 1.00 0.00 C ATOM 207 CG GLU A 14 -9.208 -6.345 5.653 1.00 0.00 C ATOM 208 CD GLU A 14 -8.837 -7.806 5.524 1.00 0.00 C ATOM 209 OE1 GLU A 14 -8.502 -8.252 4.407 1.00 0.00 O ATOM 210 OE2 GLU A 14 -8.905 -8.524 6.541 1.00 0.00 O ATOM 0 H GLU A 14 -9.992 -3.773 4.531 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.165 -4.043 6.774 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.173 -5.377 4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.150 -5.815 5.403 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.408 -6.118 6.700 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.132 -6.160 5.104 1.00 0.00 H new ATOM 217 N ILE A 15 -7.495 -1.995 4.574 1.00 0.00 N ATOM 218 CA ILE A 15 -6.532 -1.021 4.097 1.00 0.00 C ATOM 219 C ILE A 15 -6.733 0.297 4.838 1.00 0.00 C ATOM 220 O ILE A 15 -7.781 0.935 4.714 1.00 0.00 O ATOM 221 CB ILE A 15 -6.666 -0.782 2.576 1.00 0.00 C ATOM 222 CG1 ILE A 15 -6.567 -2.112 1.818 1.00 0.00 C ATOM 223 CG2 ILE A 15 -5.596 0.190 2.093 1.00 0.00 C ATOM 224 CD1 ILE A 15 -6.764 -1.980 0.323 1.00 0.00 C ATOM 0 H ILE A 15 -8.469 -1.736 4.414 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.533 -1.414 4.289 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.643 -0.342 2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.590 -2.556 2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.313 -2.801 2.214 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.705 0.347 1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.708 1.142 2.612 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.609 -0.223 2.301 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.680 -2.962 -0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.752 -1.566 0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.002 -1.317 -0.087 1.00 0.00 H new ATOM 236 N GLU A 16 -5.747 0.689 5.635 1.00 0.00 N ATOM 237 CA GLU A 16 -5.834 1.935 6.375 1.00 0.00 C ATOM 238 C GLU A 16 -5.491 3.105 5.467 1.00 0.00 C ATOM 239 O GLU A 16 -4.333 3.295 5.090 1.00 0.00 O ATOM 240 CB GLU A 16 -4.886 1.933 7.578 1.00 0.00 C ATOM 241 CG GLU A 16 -5.022 3.167 8.461 1.00 0.00 C ATOM 242 CD GLU A 16 -3.917 3.287 9.496 1.00 0.00 C ATOM 243 OE1 GLU A 16 -3.898 2.485 10.454 1.00 0.00 O ATOM 244 OE2 GLU A 16 -3.067 4.198 9.361 1.00 0.00 O ATOM 0 H GLU A 16 -4.885 0.164 5.783 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.857 2.037 6.739 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.076 1.043 8.179 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.859 1.863 7.221 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.020 4.058 7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.986 3.137 8.970 1.00 0.00 H new ATOM 251 N LEU A 17 -6.504 3.861 5.092 1.00 0.00 N ATOM 252 CA LEU A 17 -6.294 5.060 4.314 1.00 0.00 C ATOM 253 C LEU A 17 -6.225 6.258 5.247 1.00 0.00 C ATOM 254 O LEU A 17 -7.233 6.659 5.831 1.00 0.00 O ATOM 255 CB LEU A 17 -7.430 5.244 3.304 1.00 0.00 C ATOM 256 CG LEU A 17 -7.600 4.100 2.301 1.00 0.00 C ATOM 257 CD1 LEU A 17 -8.837 4.324 1.448 1.00 0.00 C ATOM 258 CD2 LEU A 17 -6.366 3.973 1.418 1.00 0.00 C ATOM 0 H LEU A 17 -7.480 3.664 5.315 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.356 4.973 3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.365 5.369 3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.258 6.168 2.752 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.723 3.171 2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.944 3.502 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.718 4.368 2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.738 5.262 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.506 3.154 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.214 4.903 0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.493 3.771 2.039 1.00 0.00 H new ATOM 270 N THR A 18 -5.039 6.811 5.402 1.00 0.00 N ATOM 271 CA THR A 18 -4.848 7.962 6.265 1.00 0.00 C ATOM 272 C THR A 18 -4.141 9.087 5.523 1.00 0.00 C ATOM 273 O THR A 18 -3.620 8.884 4.429 1.00 0.00 O ATOM 274 CB THR A 18 -4.045 7.584 7.522 1.00 0.00 C ATOM 275 OG1 THR A 18 -3.447 6.288 7.359 1.00 0.00 O ATOM 276 CG2 THR A 18 -4.930 7.582 8.757 1.00 0.00 C ATOM 0 H THR A 18 -4.191 6.482 4.941 1.00 0.00 H new ATOM 0 HA THR A 18 -5.835 8.308 6.571 1.00 0.00 H new ATOM 0 HB THR A 18 -3.263 8.332 7.656 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.505 5.793 8.203 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.336 7.311 9.630 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.356 8.575 8.901 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.734 6.858 8.627 1.00 0.00 H new ATOM 284 N ALA A 19 -4.135 10.272 6.112 1.00 0.00 N ATOM 285 CA ALA A 19 -3.470 11.412 5.505 1.00 0.00 C ATOM 286 C ALA A 19 -2.396 11.961 6.434 1.00 0.00 C ATOM 287 O ALA A 19 -2.532 11.902 7.657 1.00 0.00 O ATOM 288 CB ALA A 19 -4.484 12.494 5.161 1.00 0.00 C ATOM 0 H ALA A 19 -4.582 10.469 7.007 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.989 11.083 4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.971 13.342 4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.217 12.096 4.460 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.990 12.820 6.069 1.00 0.00 H new ATOM 294 N ILE A 20 -1.322 12.468 5.851 1.00 0.00 N ATOM 295 CA ILE A 20 -0.245 13.073 6.618 1.00 0.00 C ATOM 296 C ILE A 20 -0.317 14.588 6.485 1.00 0.00 C ATOM 297 O ILE A 20 -0.097 15.141 5.408 1.00 0.00 O ATOM 298 CB ILE A 20 1.140 12.578 6.142 1.00 0.00 C ATOM 299 CG1 ILE A 20 1.209 11.050 6.206 1.00 0.00 C ATOM 300 CG2 ILE A 20 2.247 13.197 6.988 1.00 0.00 C ATOM 301 CD1 ILE A 20 2.488 10.477 5.638 1.00 0.00 C ATOM 0 H ILE A 20 -1.172 12.472 4.842 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.367 12.781 7.661 1.00 0.00 H new ATOM 0 HB ILE A 20 1.283 12.889 5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.109 10.733 7.244 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.361 10.633 5.662 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.215 12.838 6.639 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.209 14.283 6.899 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.109 12.914 8.031 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.466 9.390 5.717 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.581 10.763 4.590 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.340 10.864 6.197 1.00 0.00 H new ATOM 313 N ARG A 21 -0.642 15.254 7.578 1.00 0.00 N ATOM 314 CA ARG A 21 -0.817 16.697 7.561 1.00 0.00 C ATOM 315 C ARG A 21 0.452 17.380 8.046 1.00 0.00 C ATOM 316 O ARG A 21 0.983 17.051 9.113 1.00 0.00 O ATOM 317 CB ARG A 21 -2.035 17.073 8.414 1.00 0.00 C ATOM 318 CG ARG A 21 -2.501 18.517 8.283 1.00 0.00 C ATOM 319 CD ARG A 21 -1.735 19.444 9.205 1.00 0.00 C ATOM 320 NE ARG A 21 -2.411 20.726 9.362 1.00 0.00 N ATOM 321 CZ ARG A 21 -3.008 21.113 10.488 1.00 0.00 C ATOM 322 NH1 ARG A 21 -2.933 20.359 11.582 1.00 0.00 N ATOM 323 NH2 ARG A 21 -3.654 22.267 10.533 1.00 0.00 N ATOM 0 H ARG A 21 -0.790 14.820 8.489 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.002 17.040 6.543 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.862 16.416 8.146 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.799 16.878 9.460 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.376 18.847 7.252 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.565 18.577 8.510 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.618 18.972 10.181 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.733 19.607 8.807 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.428 21.362 8.565 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.416 19.480 11.561 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.392 20.660 12.442 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.695 22.861 9.705 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.111 22.562 11.396 1.00 0.00 H new ATOM 494 N SER A 34 -2.084 18.617 3.178 1.00 0.00 N ATOM 495 CA SER A 34 -0.960 18.086 2.445 1.00 0.00 C ATOM 496 C SER A 34 -1.388 16.905 1.581 1.00 0.00 C ATOM 497 O SER A 34 -2.361 16.216 1.896 1.00 0.00 O ATOM 498 CB SER A 34 0.106 17.668 3.445 1.00 0.00 C ATOM 499 OG SER A 34 0.377 18.729 4.346 1.00 0.00 O ATOM 0 HA SER A 34 -0.560 18.848 1.776 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.228 16.789 3.997 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.018 17.387 2.919 1.00 0.00 H new ATOM 0 HG SER A 34 -0.440 19.249 4.494 1.00 0.00 H new ATOM 505 N SER A 35 -0.662 16.671 0.499 1.00 0.00 N ATOM 506 CA SER A 35 -0.999 15.605 -0.429 1.00 0.00 C ATOM 507 C SER A 35 -0.417 14.279 0.034 1.00 0.00 C ATOM 508 O SER A 35 -0.753 13.221 -0.502 1.00 0.00 O ATOM 509 CB SER A 35 -0.485 15.942 -1.830 1.00 0.00 C ATOM 510 OG SER A 35 0.911 16.199 -1.821 1.00 0.00 O ATOM 0 H SER A 35 0.167 17.207 0.242 1.00 0.00 H new ATOM 0 HA SER A 35 -2.085 15.512 -0.460 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.700 15.115 -2.507 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.015 16.814 -2.214 1.00 0.00 H new ATOM 0 HG SER A 35 1.303 15.907 -2.671 1.00 0.00 H new ATOM 516 N ALA A 36 0.464 14.350 1.027 1.00 0.00 N ATOM 517 CA ALA A 36 1.091 13.166 1.588 1.00 0.00 C ATOM 518 C ALA A 36 0.054 12.254 2.232 1.00 0.00 C ATOM 519 O ALA A 36 -0.496 12.560 3.287 1.00 0.00 O ATOM 520 CB ALA A 36 2.156 13.557 2.602 1.00 0.00 C ATOM 0 H ALA A 36 0.759 15.225 1.460 1.00 0.00 H new ATOM 0 HA ALA A 36 1.568 12.618 0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.615 12.658 3.012 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.919 14.163 2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.698 14.130 3.408 1.00 0.00 H new ATOM 526 N MET A 37 -0.217 11.143 1.576 1.00 0.00 N ATOM 527 CA MET A 37 -1.149 10.157 2.088 1.00 0.00 C ATOM 528 C MET A 37 -0.397 9.060 2.818 1.00 0.00 C ATOM 529 O MET A 37 0.731 8.718 2.462 1.00 0.00 O ATOM 530 CB MET A 37 -1.968 9.552 0.945 1.00 0.00 C ATOM 531 CG MET A 37 -2.823 10.561 0.198 1.00 0.00 C ATOM 532 SD MET A 37 -4.106 11.298 1.230 1.00 0.00 S ATOM 533 CE MET A 37 -5.075 9.853 1.657 1.00 0.00 C ATOM 0 H MET A 37 0.200 10.899 0.678 1.00 0.00 H new ATOM 0 HA MET A 37 -1.828 10.650 2.784 1.00 0.00 H new ATOM 0 HB2 MET A 37 -1.290 9.073 0.239 1.00 0.00 H new ATOM 0 HB3 MET A 37 -2.613 8.771 1.347 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.183 11.351 -0.196 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.289 10.072 -0.657 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.938 10.156 2.250 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.416 9.361 0.746 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.462 9.161 2.235 1.00 0.00 H new ATOM 543 N HIS A 38 -1.026 8.518 3.836 1.00 0.00 N ATOM 544 CA HIS A 38 -0.436 7.467 4.638 1.00 0.00 C ATOM 545 C HIS A 38 -1.147 6.160 4.362 1.00 0.00 C ATOM 546 O HIS A 38 -2.365 6.052 4.506 1.00 0.00 O ATOM 547 CB HIS A 38 -0.519 7.824 6.122 1.00 0.00 C ATOM 548 CG HIS A 38 0.001 6.769 7.052 1.00 0.00 C ATOM 549 ND1 HIS A 38 -0.812 5.854 7.676 1.00 0.00 N ATOM 550 CD2 HIS A 38 1.255 6.513 7.486 1.00 0.00 C ATOM 551 CE1 HIS A 38 -0.085 5.080 8.453 1.00 0.00 C ATOM 552 NE2 HIS A 38 1.178 5.456 8.360 1.00 0.00 N ATOM 0 H HIS A 38 -1.962 8.793 4.133 1.00 0.00 H new ATOM 0 HA HIS A 38 0.616 7.359 4.373 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.039 8.745 6.292 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.559 8.030 6.374 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -1.823 5.785 7.556 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.152 7.042 7.199 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.459 4.272 9.065 1.00 0.00 H new ATOM 561 N LEU A 39 -0.381 5.186 3.948 1.00 0.00 N ATOM 562 CA LEU A 39 -0.913 3.879 3.636 1.00 0.00 C ATOM 563 C LEU A 39 -0.419 2.873 4.657 1.00 0.00 C ATOM 564 O LEU A 39 0.776 2.820 4.951 1.00 0.00 O ATOM 565 CB LEU A 39 -0.493 3.438 2.228 1.00 0.00 C ATOM 566 CG LEU A 39 -1.197 4.135 1.053 1.00 0.00 C ATOM 567 CD1 LEU A 39 -2.708 4.078 1.220 1.00 0.00 C ATOM 568 CD2 LEU A 39 -0.721 5.577 0.899 1.00 0.00 C ATOM 0 H LEU A 39 0.627 5.272 3.817 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.001 3.931 3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.580 3.598 2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.665 2.365 2.141 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.934 3.600 0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.186 4.577 0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.031 3.038 1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.991 4.578 2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.237 6.043 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.939 6.131 1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.353 5.588 0.715 1.00 0.00 H new ATOM 580 N ARG A 40 -1.328 2.100 5.216 1.00 0.00 N ATOM 581 CA ARG A 40 -0.966 1.099 6.198 1.00 0.00 C ATOM 582 C ARG A 40 -1.743 -0.179 5.929 1.00 0.00 C ATOM 583 O ARG A 40 -2.949 -0.245 6.157 1.00 0.00 O ATOM 584 CB ARG A 40 -1.267 1.626 7.594 1.00 0.00 C ATOM 585 CG ARG A 40 -0.436 1.016 8.703 1.00 0.00 C ATOM 586 CD ARG A 40 -0.880 1.571 10.040 1.00 0.00 C ATOM 587 NE ARG A 40 0.034 1.250 11.128 1.00 0.00 N ATOM 588 CZ ARG A 40 -0.168 1.635 12.385 1.00 0.00 C ATOM 589 NH1 ARG A 40 -1.271 2.307 12.703 1.00 0.00 N ATOM 590 NH2 ARG A 40 0.722 1.344 13.321 1.00 0.00 N ATOM 0 H ARG A 40 -2.325 2.146 5.006 1.00 0.00 H new ATOM 0 HA ARG A 40 0.100 0.881 6.129 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.115 2.705 7.599 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.321 1.451 7.812 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.543 -0.069 8.695 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.620 1.234 8.541 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.976 2.654 9.963 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.869 1.180 10.278 1.00 0.00 H new ATOM 0 HE ARG A 40 0.869 0.704 10.916 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.960 2.526 11.983 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.428 2.603 13.666 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.565 0.823 13.079 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.565 1.640 14.284 1.00 0.00 H new ATOM 604 N PHE A 41 -1.055 -1.182 5.418 1.00 0.00 N ATOM 605 CA PHE A 41 -1.695 -2.438 5.073 1.00 0.00 C ATOM 606 C PHE A 41 -1.144 -3.564 5.937 1.00 0.00 C ATOM 607 O PHE A 41 0.065 -3.789 5.987 1.00 0.00 O ATOM 608 CB PHE A 41 -1.486 -2.751 3.586 1.00 0.00 C ATOM 609 CG PHE A 41 -2.144 -4.024 3.134 1.00 0.00 C ATOM 610 CD1 PHE A 41 -3.508 -4.067 2.894 1.00 0.00 C ATOM 611 CD2 PHE A 41 -1.397 -5.177 2.950 1.00 0.00 C ATOM 612 CE1 PHE A 41 -4.114 -5.239 2.479 1.00 0.00 C ATOM 613 CE2 PHE A 41 -1.998 -6.348 2.536 1.00 0.00 C ATOM 614 CZ PHE A 41 -3.359 -6.381 2.301 1.00 0.00 C ATOM 0 H PHE A 41 -0.052 -1.152 5.232 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.765 -2.349 5.260 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.873 -1.923 2.992 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.417 -2.815 3.385 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.104 -3.177 3.032 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.333 -5.159 3.133 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.178 -5.261 2.294 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.404 -7.239 2.396 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.831 -7.298 1.979 1.00 0.00 H new ATOM 624 N ASP A 42 -2.033 -4.258 6.627 1.00 0.00 N ATOM 625 CA ASP A 42 -1.625 -5.352 7.494 1.00 0.00 C ATOM 626 C ASP A 42 -1.624 -6.660 6.714 1.00 0.00 C ATOM 627 O ASP A 42 -2.675 -7.196 6.373 1.00 0.00 O ATOM 628 CB ASP A 42 -2.556 -5.458 8.703 1.00 0.00 C ATOM 629 CG ASP A 42 -2.020 -6.394 9.767 1.00 0.00 C ATOM 630 OD1 ASP A 42 -2.250 -7.615 9.667 1.00 0.00 O ATOM 631 OD2 ASP A 42 -1.377 -5.908 10.719 1.00 0.00 O ATOM 0 H ASP A 42 -3.038 -4.085 6.605 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.616 -5.152 7.855 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.701 -4.467 9.134 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.534 -5.809 8.375 1.00 0.00 H new ATOM 636 N ILE A 43 -0.437 -7.153 6.420 1.00 0.00 N ATOM 637 CA ILE A 43 -0.276 -8.373 5.641 1.00 0.00 C ATOM 638 C ILE A 43 -0.535 -9.591 6.519 1.00 0.00 C ATOM 639 O ILE A 43 -0.908 -10.659 6.039 1.00 0.00 O ATOM 640 CB ILE A 43 1.151 -8.461 5.057 1.00 0.00 C ATOM 641 CG1 ILE A 43 1.522 -7.148 4.363 1.00 0.00 C ATOM 642 CG2 ILE A 43 1.263 -9.627 4.082 1.00 0.00 C ATOM 643 CD1 ILE A 43 2.971 -7.075 3.930 1.00 0.00 C ATOM 0 H ILE A 43 0.442 -6.724 6.711 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.995 -8.352 4.822 1.00 0.00 H new ATOM 0 HB ILE A 43 1.848 -8.633 5.877 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.884 -7.017 3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.312 -6.319 5.038 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.276 -9.671 3.682 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.037 -10.558 4.601 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.556 -9.487 3.264 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.158 -6.116 3.446 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.617 -7.174 4.802 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.182 -7.882 3.229 1.00 0.00 H new ATOM 655 N ASN A 44 -0.351 -9.400 7.815 1.00 0.00 N ATOM 656 CA ASN A 44 -0.455 -10.473 8.785 1.00 0.00 C ATOM 657 C ASN A 44 -1.874 -11.027 8.871 1.00 0.00 C ATOM 658 O ASN A 44 -2.080 -12.234 8.760 1.00 0.00 O ATOM 659 CB ASN A 44 -0.022 -9.938 10.147 1.00 0.00 C ATOM 660 CG ASN A 44 0.353 -11.018 11.138 1.00 0.00 C ATOM 661 OD1 ASN A 44 -0.165 -12.138 11.107 1.00 0.00 O ATOM 662 ND2 ASN A 44 1.265 -10.680 12.028 1.00 0.00 N ATOM 0 H ASN A 44 -0.125 -8.493 8.223 1.00 0.00 H new ATOM 0 HA ASN A 44 0.192 -11.292 8.470 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.830 -9.272 10.011 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.831 -9.339 10.565 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.569 -11.356 12.728 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.666 -9.742 12.016 1.00 0.00 H new ATOM 669 N ALA A 45 -2.849 -10.153 9.063 1.00 0.00 N ATOM 670 CA ALA A 45 -4.209 -10.598 9.331 1.00 0.00 C ATOM 671 C ALA A 45 -5.192 -10.249 8.215 1.00 0.00 C ATOM 672 O ALA A 45 -6.400 -10.373 8.407 1.00 0.00 O ATOM 673 CB ALA A 45 -4.687 -10.012 10.646 1.00 0.00 C ATOM 0 H ALA A 45 -2.727 -9.141 9.039 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.180 -11.686 9.387 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.705 -10.346 10.845 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.032 -10.344 11.452 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.667 -8.924 10.588 1.00 0.00 H new ATOM 679 N SER A 46 -4.694 -9.839 7.056 1.00 0.00 N ATOM 680 CA SER A 46 -5.572 -9.502 5.937 1.00 0.00 C ATOM 681 C SER A 46 -6.144 -10.762 5.284 1.00 0.00 C ATOM 682 O SER A 46 -5.744 -11.880 5.616 1.00 0.00 O ATOM 683 CB SER A 46 -4.821 -8.667 4.901 1.00 0.00 C ATOM 684 OG SER A 46 -3.543 -9.213 4.632 1.00 0.00 O ATOM 0 H SER A 46 -3.698 -9.732 6.864 1.00 0.00 H new ATOM 0 HA SER A 46 -6.403 -8.915 6.329 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.400 -8.620 3.979 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.714 -7.644 5.263 1.00 0.00 H new ATOM 0 HG SER A 46 -2.884 -8.820 5.242 1.00 0.00 H new ATOM 690 N SER A 47 -7.075 -10.575 4.354 1.00 0.00 N ATOM 691 CA SER A 47 -7.734 -11.692 3.680 1.00 0.00 C ATOM 692 C SER A 47 -6.865 -12.277 2.560 1.00 0.00 C ATOM 693 O SER A 47 -7.356 -13.017 1.704 1.00 0.00 O ATOM 694 CB SER A 47 -9.079 -11.223 3.117 1.00 0.00 C ATOM 695 OG SER A 47 -9.833 -10.548 4.113 1.00 0.00 O ATOM 0 H SER A 47 -7.393 -9.655 4.047 1.00 0.00 H new ATOM 0 HA SER A 47 -7.894 -12.484 4.412 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.912 -10.559 2.268 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.642 -12.079 2.746 1.00 0.00 H new ATOM 0 HG SER A 47 -9.648 -9.587 4.068 1.00 0.00 H new ATOM 701 N LEU A 48 -5.578 -11.952 2.571 1.00 0.00 N ATOM 702 CA LEU A 48 -4.643 -12.498 1.601 1.00 0.00 C ATOM 703 C LEU A 48 -4.289 -13.938 1.944 1.00 0.00 C ATOM 704 O LEU A 48 -4.029 -14.259 3.104 1.00 0.00 O ATOM 705 CB LEU A 48 -3.366 -11.657 1.548 1.00 0.00 C ATOM 706 CG LEU A 48 -3.495 -10.304 0.849 1.00 0.00 C ATOM 707 CD1 LEU A 48 -2.170 -9.560 0.895 1.00 0.00 C ATOM 708 CD2 LEU A 48 -3.953 -10.492 -0.590 1.00 0.00 C ATOM 0 H LEU A 48 -5.159 -11.311 3.244 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.126 -12.474 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.021 -11.487 2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.592 -12.235 1.042 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.244 -9.710 1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.275 -8.598 0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.879 -9.398 1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.404 -10.150 0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.040 -9.519 -1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.225 -11.101 -1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.922 -10.991 -0.601 1.00 0.00 H new ATOM 720 N PRO A 49 -4.284 -14.821 0.939 1.00 0.00 N ATOM 721 CA PRO A 49 -3.882 -16.219 1.115 1.00 0.00 C ATOM 722 C PRO A 49 -2.440 -16.331 1.602 1.00 0.00 C ATOM 723 O PRO A 49 -1.597 -15.499 1.253 1.00 0.00 O ATOM 724 CB PRO A 49 -4.020 -16.817 -0.289 1.00 0.00 C ATOM 725 CG PRO A 49 -4.946 -15.899 -1.011 1.00 0.00 C ATOM 726 CD PRO A 49 -4.688 -14.534 -0.447 1.00 0.00 C ATOM 0 HA PRO A 49 -4.487 -16.731 1.863 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.053 -16.876 -0.789 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.421 -17.830 -0.249 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.760 -15.920 -2.085 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.985 -16.194 -0.862 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.905 -14.012 -0.996 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.578 -13.906 -0.486 1.00 0.00 H new ATOM 734 N PRO A 50 -2.139 -17.363 2.412 1.00 0.00 N ATOM 735 CA PRO A 50 -0.808 -17.576 2.991 1.00 0.00 C ATOM 736 C PRO A 50 0.312 -17.510 1.955 1.00 0.00 C ATOM 737 O PRO A 50 1.417 -17.061 2.260 1.00 0.00 O ATOM 738 CB PRO A 50 -0.882 -18.983 3.605 1.00 0.00 C ATOM 739 CG PRO A 50 -2.184 -19.561 3.150 1.00 0.00 C ATOM 740 CD PRO A 50 -3.083 -18.396 2.850 1.00 0.00 C ATOM 0 HA PRO A 50 -0.570 -16.796 3.714 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.045 -19.598 3.274 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.834 -18.937 4.693 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.045 -20.182 2.265 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.617 -20.197 3.922 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.810 -18.635 2.074 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.647 -18.083 3.729 1.00 0.00 H new ATOM 748 N PHE A 51 0.018 -17.949 0.733 1.00 0.00 N ATOM 749 CA PHE A 51 0.981 -17.887 -0.364 1.00 0.00 C ATOM 750 C PHE A 51 1.490 -16.462 -0.557 1.00 0.00 C ATOM 751 O PHE A 51 2.696 -16.218 -0.556 1.00 0.00 O ATOM 752 CB PHE A 51 0.341 -18.392 -1.661 1.00 0.00 C ATOM 753 CG PHE A 51 1.243 -18.275 -2.860 1.00 0.00 C ATOM 754 CD1 PHE A 51 2.353 -19.096 -2.998 1.00 0.00 C ATOM 755 CD2 PHE A 51 0.983 -17.336 -3.847 1.00 0.00 C ATOM 756 CE1 PHE A 51 3.183 -18.982 -4.096 1.00 0.00 C ATOM 757 CE2 PHE A 51 1.812 -17.216 -4.946 1.00 0.00 C ATOM 758 CZ PHE A 51 2.910 -18.042 -5.071 1.00 0.00 C ATOM 0 H PHE A 51 -0.883 -18.353 0.477 1.00 0.00 H new ATOM 0 HA PHE A 51 1.827 -18.527 -0.111 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.054 -19.436 -1.533 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.574 -17.830 -1.848 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.570 -19.832 -2.238 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.122 -16.691 -3.756 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.044 -19.627 -4.192 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.601 -16.477 -5.705 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.557 -17.954 -5.932 1.00 0.00 H new ATOM 768 N TYR A 52 0.559 -15.530 -0.705 1.00 0.00 N ATOM 769 CA TYR A 52 0.893 -14.133 -0.908 1.00 0.00 C ATOM 770 C TYR A 52 1.527 -13.538 0.341 1.00 0.00 C ATOM 771 O TYR A 52 2.437 -12.713 0.252 1.00 0.00 O ATOM 772 CB TYR A 52 -0.361 -13.351 -1.288 1.00 0.00 C ATOM 773 CG TYR A 52 -0.890 -13.676 -2.670 1.00 0.00 C ATOM 774 CD1 TYR A 52 -0.360 -13.058 -3.797 1.00 0.00 C ATOM 775 CD2 TYR A 52 -1.918 -14.595 -2.846 1.00 0.00 C ATOM 776 CE1 TYR A 52 -0.844 -13.343 -5.060 1.00 0.00 C ATOM 777 CE2 TYR A 52 -2.404 -14.887 -4.107 1.00 0.00 C ATOM 778 CZ TYR A 52 -1.864 -14.258 -5.209 1.00 0.00 C ATOM 779 OH TYR A 52 -2.349 -14.543 -6.467 1.00 0.00 O ATOM 0 H TYR A 52 -0.443 -15.722 -0.687 1.00 0.00 H new ATOM 0 HA TYR A 52 1.618 -14.065 -1.719 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.141 -13.554 -0.554 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.143 -12.284 -1.234 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.442 -12.344 -3.684 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.344 -15.088 -1.985 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.425 -12.851 -5.926 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.202 -15.604 -4.228 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.065 -15.209 -6.399 1.00 0.00 H new ATOM 789 N LYS A 53 1.049 -13.968 1.509 1.00 0.00 N ATOM 790 CA LYS A 53 1.596 -13.500 2.777 1.00 0.00 C ATOM 791 C LYS A 53 3.083 -13.817 2.879 1.00 0.00 C ATOM 792 O LYS A 53 3.888 -12.931 3.153 1.00 0.00 O ATOM 793 CB LYS A 53 0.856 -14.123 3.960 1.00 0.00 C ATOM 794 CG LYS A 53 -0.554 -13.589 4.154 1.00 0.00 C ATOM 795 CD LYS A 53 -1.170 -14.121 5.438 1.00 0.00 C ATOM 796 CE LYS A 53 -2.536 -13.507 5.700 1.00 0.00 C ATOM 797 NZ LYS A 53 -3.139 -14.007 6.965 1.00 0.00 N ATOM 0 H LYS A 53 0.286 -14.638 1.601 1.00 0.00 H new ATOM 0 HA LYS A 53 1.462 -12.419 2.810 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.809 -15.203 3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.430 -13.945 4.870 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.533 -12.500 4.182 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.174 -13.874 3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.264 -15.205 5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.507 -13.906 6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.443 -12.422 5.747 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.201 -13.734 4.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.160 -14.150 6.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.695 -14.910 7.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.984 -13.311 7.722 1.00 0.00 H new ATOM 811 N GLU A 54 3.437 -15.079 2.640 1.00 0.00 N ATOM 812 CA GLU A 54 4.825 -15.524 2.742 1.00 0.00 C ATOM 813 C GLU A 54 5.758 -14.679 1.884 1.00 0.00 C ATOM 814 O GLU A 54 6.852 -14.332 2.310 1.00 0.00 O ATOM 815 CB GLU A 54 4.961 -16.992 2.339 1.00 0.00 C ATOM 816 CG GLU A 54 4.426 -17.970 3.370 1.00 0.00 C ATOM 817 CD GLU A 54 4.868 -19.394 3.095 1.00 0.00 C ATOM 818 OE1 GLU A 54 6.022 -19.737 3.444 1.00 0.00 O ATOM 819 OE2 GLU A 54 4.079 -20.176 2.531 1.00 0.00 O ATOM 0 H GLU A 54 2.780 -15.812 2.374 1.00 0.00 H new ATOM 0 HA GLU A 54 5.114 -15.406 3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.435 -17.149 1.397 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.013 -17.212 2.157 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.766 -17.671 4.362 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.337 -17.925 3.379 1.00 0.00 H new ATOM 826 N ARG A 55 5.317 -14.351 0.679 1.00 0.00 N ATOM 827 CA ARG A 55 6.131 -13.575 -0.254 1.00 0.00 C ATOM 828 C ARG A 55 6.531 -12.230 0.353 1.00 0.00 C ATOM 829 O ARG A 55 7.702 -11.864 0.363 1.00 0.00 O ATOM 830 CB ARG A 55 5.361 -13.336 -1.557 1.00 0.00 C ATOM 831 CG ARG A 55 4.692 -14.583 -2.114 1.00 0.00 C ATOM 832 CD ARG A 55 5.700 -15.609 -2.602 1.00 0.00 C ATOM 833 NE ARG A 55 6.106 -15.371 -3.989 1.00 0.00 N ATOM 834 CZ ARG A 55 6.370 -16.344 -4.861 1.00 0.00 C ATOM 835 NH1 ARG A 55 6.321 -17.614 -4.480 1.00 0.00 N ATOM 836 NH2 ARG A 55 6.696 -16.046 -6.112 1.00 0.00 N ATOM 0 H ARG A 55 4.398 -14.609 0.320 1.00 0.00 H new ATOM 0 HA ARG A 55 7.035 -14.147 -0.464 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.601 -12.574 -1.384 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.047 -12.938 -2.305 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.065 -15.031 -1.343 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.034 -14.303 -2.937 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.580 -15.586 -1.959 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.270 -16.607 -2.518 1.00 0.00 H new ATOM 0 HE ARG A 55 6.192 -14.405 -4.306 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.081 -17.849 -3.517 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.524 -18.356 -5.150 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.745 -15.071 -6.408 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.898 -16.792 -6.778 1.00 0.00 H new ATOM 850 N LEU A 56 5.542 -11.507 0.857 1.00 0.00 N ATOM 851 CA LEU A 56 5.759 -10.184 1.430 1.00 0.00 C ATOM 852 C LEU A 56 6.436 -10.261 2.797 1.00 0.00 C ATOM 853 O LEU A 56 7.328 -9.477 3.102 1.00 0.00 O ATOM 854 CB LEU A 56 4.425 -9.450 1.549 1.00 0.00 C ATOM 855 CG LEU A 56 3.777 -9.054 0.220 1.00 0.00 C ATOM 856 CD1 LEU A 56 2.419 -8.409 0.458 1.00 0.00 C ATOM 857 CD2 LEU A 56 4.684 -8.117 -0.560 1.00 0.00 C ATOM 0 H LEU A 56 4.571 -11.817 0.881 1.00 0.00 H new ATOM 0 HA LEU A 56 6.425 -9.635 0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.729 -10.082 2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.576 -8.549 2.144 1.00 0.00 H new ATOM 0 HG LEU A 56 3.629 -9.958 -0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.974 -8.134 -0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.766 -9.114 0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.543 -7.516 1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.205 -7.847 -1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.866 -7.216 0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.632 -8.615 -0.765 1.00 0.00 H new ATOM 869 N LEU A 57 5.993 -11.199 3.615 1.00 0.00 N ATOM 870 CA LEU A 57 6.522 -11.373 4.953 1.00 0.00 C ATOM 871 C LEU A 57 7.970 -11.861 4.939 1.00 0.00 C ATOM 872 O LEU A 57 8.699 -11.695 5.916 1.00 0.00 O ATOM 873 CB LEU A 57 5.640 -12.358 5.709 1.00 0.00 C ATOM 874 CG LEU A 57 4.261 -11.829 6.105 1.00 0.00 C ATOM 875 CD1 LEU A 57 3.469 -12.898 6.839 1.00 0.00 C ATOM 876 CD2 LEU A 57 4.396 -10.581 6.965 1.00 0.00 C ATOM 0 H LEU A 57 5.257 -11.861 3.369 1.00 0.00 H new ATOM 0 HA LEU A 57 6.518 -10.404 5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.507 -13.248 5.093 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.164 -12.671 6.612 1.00 0.00 H new ATOM 0 HG LEU A 57 3.721 -11.565 5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.491 -12.503 7.113 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.342 -13.765 6.191 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.006 -13.194 7.740 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.405 -10.218 7.238 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.956 -10.821 7.869 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.924 -9.809 6.405 1.00 0.00 H new ATOM 888 N ALA A 58 8.380 -12.480 3.843 1.00 0.00 N ATOM 889 CA ALA A 58 9.759 -12.922 3.697 1.00 0.00 C ATOM 890 C ALA A 58 10.552 -11.937 2.844 1.00 0.00 C ATOM 891 O ALA A 58 11.666 -12.231 2.401 1.00 0.00 O ATOM 892 CB ALA A 58 9.816 -14.313 3.091 1.00 0.00 C ATOM 0 H ALA A 58 7.781 -12.687 3.044 1.00 0.00 H new ATOM 0 HA ALA A 58 10.210 -12.961 4.689 1.00 0.00 H new ATOM 0 HB1 ALA A 58 10.856 -14.624 2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.289 -15.014 3.738 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.344 -14.301 2.108 1.00 0.00 H new ATOM 898 N LEU A 59 9.986 -10.756 2.635 1.00 0.00 N ATOM 899 CA LEU A 59 10.629 -9.751 1.830 1.00 0.00 C ATOM 900 C LEU A 59 11.559 -8.934 2.701 1.00 0.00 C ATOM 901 O LEU A 59 11.276 -8.674 3.871 1.00 0.00 O ATOM 902 CB LEU A 59 9.588 -8.850 1.162 1.00 0.00 C ATOM 903 CG LEU A 59 10.116 -7.872 0.113 1.00 0.00 C ATOM 904 CD1 LEU A 59 10.934 -8.604 -0.941 1.00 0.00 C ATOM 905 CD2 LEU A 59 8.957 -7.132 -0.538 1.00 0.00 C ATOM 0 H LEU A 59 9.081 -10.479 3.017 1.00 0.00 H new ATOM 0 HA LEU A 59 11.207 -10.236 1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.837 -9.485 0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 59 9.081 -8.278 1.939 1.00 0.00 H new ATOM 0 HG LEU A 59 10.765 -7.149 0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 59 11.300 -7.890 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 59 11.780 -9.100 -0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 59 10.309 -9.347 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.342 -6.437 -1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.292 -7.849 -1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.405 -6.579 0.222 1.00 0.00 H new ATOM 917 N ASN A 60 12.663 -8.533 2.124 1.00 0.00 N ATOM 918 CA ASN A 60 13.665 -7.778 2.849 1.00 0.00 C ATOM 919 C ASN A 60 13.401 -6.294 2.686 1.00 0.00 C ATOM 920 O ASN A 60 14.255 -5.455 2.978 1.00 0.00 O ATOM 921 CB ASN A 60 15.047 -8.140 2.325 1.00 0.00 C ATOM 922 CG ASN A 60 16.162 -7.833 3.307 1.00 0.00 C ATOM 923 OD1 ASN A 60 15.870 -7.914 4.600 1.00 0.00 O flip ATOM 924 ND2 ASN A 60 17.287 -7.543 2.908 1.00 0.00 N flip ATOM 0 H ASN A 60 12.896 -8.716 1.148 1.00 0.00 H new ATOM 0 HA ASN A 60 13.618 -8.023 3.910 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.069 -9.202 2.082 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.230 -7.597 1.398 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.475 -7.490 1.907 1.00 0.00 H new ATOM 0 HD22 ASN A 60 18.033 -7.355 3.578 1.00 0.00 H new ATOM 931 N ASP A 61 12.200 -5.978 2.223 1.00 0.00 N ATOM 932 CA ASP A 61 11.831 -4.596 1.954 1.00 0.00 C ATOM 933 C ASP A 61 11.683 -3.822 3.258 1.00 0.00 C ATOM 934 O ASP A 61 11.031 -4.277 4.196 1.00 0.00 O ATOM 935 CB ASP A 61 10.534 -4.520 1.151 1.00 0.00 C ATOM 936 CG ASP A 61 10.300 -3.147 0.552 1.00 0.00 C ATOM 937 OD1 ASP A 61 9.920 -2.222 1.297 1.00 0.00 O ATOM 938 OD2 ASP A 61 10.495 -2.987 -0.674 1.00 0.00 O ATOM 0 H ASP A 61 11.466 -6.658 2.026 1.00 0.00 H new ATOM 0 HA ASP A 61 12.628 -4.146 1.362 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.561 -5.261 0.352 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.695 -4.778 1.797 1.00 0.00 H new ATOM 943 N SER A 62 12.295 -2.655 3.294 1.00 0.00 N ATOM 944 CA SER A 62 12.326 -1.817 4.490 1.00 0.00 C ATOM 945 C SER A 62 10.930 -1.354 4.915 1.00 0.00 C ATOM 946 O SER A 62 10.729 -0.951 6.065 1.00 0.00 O ATOM 947 CB SER A 62 13.219 -0.600 4.243 1.00 0.00 C ATOM 948 OG SER A 62 14.519 -0.996 3.841 1.00 0.00 O ATOM 0 H SER A 62 12.788 -2.255 2.496 1.00 0.00 H new ATOM 0 HA SER A 62 12.729 -2.423 5.302 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.774 0.032 3.475 1.00 0.00 H new ATOM 0 HB3 SER A 62 13.282 -0.001 5.151 1.00 0.00 H new ATOM 0 HG SER A 62 15.070 -0.201 3.687 1.00 0.00 H new ATOM 954 N ARG A 63 9.973 -1.410 3.995 1.00 0.00 N ATOM 955 CA ARG A 63 8.604 -1.002 4.289 1.00 0.00 C ATOM 956 C ARG A 63 7.833 -2.133 4.960 1.00 0.00 C ATOM 957 O ARG A 63 6.715 -1.939 5.441 1.00 0.00 O ATOM 958 CB ARG A 63 7.901 -0.564 3.001 1.00 0.00 C ATOM 959 CG ARG A 63 8.409 0.765 2.465 1.00 0.00 C ATOM 960 CD ARG A 63 8.127 0.917 0.980 1.00 0.00 C ATOM 961 NE ARG A 63 8.963 0.028 0.176 1.00 0.00 N ATOM 962 CZ ARG A 63 9.446 0.336 -1.026 1.00 0.00 C ATOM 963 NH1 ARG A 63 9.153 1.506 -1.582 1.00 0.00 N ATOM 964 NH2 ARG A 63 10.209 -0.534 -1.675 1.00 0.00 N ATOM 0 H ARG A 63 10.120 -1.734 3.039 1.00 0.00 H new ATOM 0 HA ARG A 63 8.634 -0.159 4.979 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.039 -1.332 2.240 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.830 -0.488 3.187 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.937 1.582 3.011 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.482 0.842 2.641 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.076 0.702 0.786 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.302 1.950 0.680 1.00 0.00 H new ATOM 0 HE ARG A 63 9.191 -0.889 0.561 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.557 2.170 -1.088 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.524 1.740 -2.503 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.425 -1.437 -1.253 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.580 -0.300 -2.596 1.00 0.00 H new ATOM 978 N ILE A 64 8.446 -3.310 5.000 1.00 0.00 N ATOM 979 CA ILE A 64 7.848 -4.463 5.651 1.00 0.00 C ATOM 980 C ILE A 64 8.333 -4.555 7.093 1.00 0.00 C ATOM 981 O ILE A 64 9.535 -4.643 7.348 1.00 0.00 O ATOM 982 CB ILE A 64 8.194 -5.779 4.914 1.00 0.00 C ATOM 983 CG1 ILE A 64 7.761 -5.710 3.446 1.00 0.00 C ATOM 984 CG2 ILE A 64 7.543 -6.971 5.606 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.277 -5.486 3.252 1.00 0.00 C ATOM 0 H ILE A 64 9.361 -3.489 4.586 1.00 0.00 H new ATOM 0 HA ILE A 64 6.766 -4.330 5.626 1.00 0.00 H new ATOM 0 HB ILE A 64 9.276 -5.910 4.946 1.00 0.00 H new ATOM 0 HG12 ILE A 64 8.307 -4.905 2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.046 -6.638 2.950 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.799 -7.886 5.072 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.903 -7.037 6.633 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.461 -6.843 5.609 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.051 -5.449 2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 64 5.722 -6.303 3.713 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.987 -4.544 3.717 1.00 0.00 H new ATOM 997 N THR A 65 7.404 -4.511 8.029 1.00 0.00 N ATOM 998 CA THR A 65 7.743 -4.602 9.439 1.00 0.00 C ATOM 999 C THR A 65 7.642 -6.044 9.924 1.00 0.00 C ATOM 1000 O THR A 65 6.963 -6.868 9.308 1.00 0.00 O ATOM 1001 CB THR A 65 6.815 -3.720 10.296 1.00 0.00 C ATOM 1002 OG1 THR A 65 5.450 -4.092 10.076 1.00 0.00 O ATOM 1003 CG2 THR A 65 7.001 -2.249 9.964 1.00 0.00 C ATOM 0 H THR A 65 6.407 -4.413 7.839 1.00 0.00 H new ATOM 0 HA THR A 65 8.768 -4.249 9.548 1.00 0.00 H new ATOM 0 HB THR A 65 7.073 -3.873 11.344 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.085 -3.572 9.330 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.334 -1.649 10.583 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.034 -1.960 10.158 1.00 0.00 H new ATOM 0 HG23 THR A 65 6.769 -2.081 8.912 1.00 0.00 H new ATOM 1011 N SER A 66 8.290 -6.344 11.046 1.00 0.00 N ATOM 1012 CA SER A 66 8.271 -7.688 11.609 1.00 0.00 C ATOM 1013 C SER A 66 6.887 -8.015 12.163 1.00 0.00 C ATOM 1014 O SER A 66 6.567 -9.174 12.435 1.00 0.00 O ATOM 1015 CB SER A 66 9.322 -7.809 12.713 1.00 0.00 C ATOM 1016 OG SER A 66 10.601 -7.412 12.245 1.00 0.00 O ATOM 0 H SER A 66 8.836 -5.671 11.584 1.00 0.00 H new ATOM 0 HA SER A 66 8.505 -8.400 10.818 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.034 -7.190 13.563 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.364 -8.839 13.068 1.00 0.00 H new ATOM 0 HG SER A 66 11.255 -7.497 12.970 1.00 0.00 H new ATOM 1022 N ASP A 67 6.069 -6.979 12.321 1.00 0.00 N ATOM 1023 CA ASP A 67 4.711 -7.132 12.826 1.00 0.00 C ATOM 1024 C ASP A 67 3.797 -7.641 11.720 1.00 0.00 C ATOM 1025 O ASP A 67 2.679 -8.088 11.976 1.00 0.00 O ATOM 1026 CB ASP A 67 4.177 -5.798 13.357 1.00 0.00 C ATOM 1027 CG ASP A 67 5.144 -5.123 14.305 1.00 0.00 C ATOM 1028 OD1 ASP A 67 5.253 -5.560 15.469 1.00 0.00 O ATOM 1029 OD2 ASP A 67 5.810 -4.153 13.886 1.00 0.00 O ATOM 0 H ASP A 67 6.327 -6.016 12.104 1.00 0.00 H new ATOM 0 HA ASP A 67 4.730 -7.853 13.643 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.971 -5.133 12.518 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.230 -5.967 13.869 1.00 0.00 H new ATOM 1034 N GLY A 68 4.291 -7.571 10.489 1.00 0.00 N ATOM 1035 CA GLY A 68 3.513 -8.004 9.346 1.00 0.00 C ATOM 1036 C GLY A 68 2.702 -6.874 8.749 1.00 0.00 C ATOM 1037 O GLY A 68 1.643 -7.099 8.170 1.00 0.00 O ATOM 0 H GLY A 68 5.222 -7.220 10.263 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.181 -8.411 8.587 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.844 -8.810 9.648 1.00 0.00 H new ATOM 1041 N VAL A 69 3.199 -5.655 8.897 1.00 0.00 N ATOM 1042 CA VAL A 69 2.504 -4.480 8.389 1.00 0.00 C ATOM 1043 C VAL A 69 3.397 -3.721 7.411 1.00 0.00 C ATOM 1044 O VAL A 69 4.589 -3.548 7.663 1.00 0.00 O ATOM 1045 CB VAL A 69 2.091 -3.526 9.535 1.00 0.00 C ATOM 1046 CG1 VAL A 69 1.204 -2.401 9.018 1.00 0.00 C ATOM 1047 CG2 VAL A 69 1.401 -4.293 10.652 1.00 0.00 C ATOM 0 H VAL A 69 4.082 -5.453 9.365 1.00 0.00 H new ATOM 0 HA VAL A 69 1.604 -4.828 7.881 1.00 0.00 H new ATOM 0 HB VAL A 69 2.997 -3.076 9.942 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.929 -1.746 9.844 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.745 -1.828 8.265 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.303 -2.823 8.574 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.119 -3.603 11.447 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.508 -4.780 10.261 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.081 -5.047 11.050 1.00 0.00 H new ATOM 1057 N ILE A 70 2.829 -3.286 6.300 1.00 0.00 N ATOM 1058 CA ILE A 70 3.557 -2.445 5.365 1.00 0.00 C ATOM 1059 C ILE A 70 3.023 -1.017 5.430 1.00 0.00 C ATOM 1060 O ILE A 70 1.812 -0.786 5.354 1.00 0.00 O ATOM 1061 CB ILE A 70 3.496 -2.990 3.915 1.00 0.00 C ATOM 1062 CG1 ILE A 70 4.280 -2.076 2.966 1.00 0.00 C ATOM 1063 CG2 ILE A 70 2.058 -3.155 3.444 1.00 0.00 C ATOM 1064 CD1 ILE A 70 4.351 -2.584 1.540 1.00 0.00 C ATOM 0 H ILE A 70 1.871 -3.500 6.024 1.00 0.00 H new ATOM 0 HA ILE A 70 4.607 -2.451 5.659 1.00 0.00 H new ATOM 0 HB ILE A 70 3.959 -3.977 3.907 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.819 -1.088 2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.293 -1.955 3.349 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.051 -3.539 2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.539 -3.855 4.099 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.553 -2.189 3.472 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.922 -1.882 0.932 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.840 -3.558 1.525 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.343 -2.677 1.136 1.00 0.00 H new ATOM 1076 N VAL A 71 3.923 -0.069 5.614 1.00 0.00 N ATOM 1077 CA VAL A 71 3.543 1.329 5.735 1.00 0.00 C ATOM 1078 C VAL A 71 4.174 2.152 4.618 1.00 0.00 C ATOM 1079 O VAL A 71 5.364 2.012 4.324 1.00 0.00 O ATOM 1080 CB VAL A 71 3.940 1.906 7.117 1.00 0.00 C ATOM 1081 CG1 VAL A 71 5.426 1.703 7.395 1.00 0.00 C ATOM 1082 CG2 VAL A 71 3.570 3.378 7.219 1.00 0.00 C ATOM 0 H VAL A 71 4.926 -0.241 5.683 1.00 0.00 H new ATOM 0 HA VAL A 71 2.458 1.386 5.647 1.00 0.00 H new ATOM 0 HB VAL A 71 3.379 1.360 7.876 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.673 2.118 8.372 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.656 0.638 7.385 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.012 2.208 6.627 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.859 3.759 8.199 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.091 3.939 6.443 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.494 3.493 7.088 1.00 0.00 H new ATOM 1092 N LEU A 72 3.372 2.999 3.990 1.00 0.00 N ATOM 1093 CA LEU A 72 3.844 3.809 2.882 1.00 0.00 C ATOM 1094 C LEU A 72 3.411 5.254 3.060 1.00 0.00 C ATOM 1095 O LEU A 72 2.459 5.549 3.789 1.00 0.00 O ATOM 1096 CB LEU A 72 3.315 3.295 1.534 1.00 0.00 C ATOM 1097 CG LEU A 72 3.567 1.814 1.227 1.00 0.00 C ATOM 1098 CD1 LEU A 72 2.498 0.933 1.865 1.00 0.00 C ATOM 1099 CD2 LEU A 72 3.614 1.584 -0.275 1.00 0.00 C ATOM 0 H LEU A 72 2.391 3.142 4.231 1.00 0.00 H new ATOM 0 HA LEU A 72 4.932 3.742 2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.240 3.474 1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.765 3.891 0.740 1.00 0.00 H new ATOM 0 HG LEU A 72 4.532 1.540 1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.701 -0.112 1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.509 1.072 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.519 1.209 1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.794 0.528 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.664 1.881 -0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.418 2.178 -0.709 1.00 0.00 H new ATOM 1111 N LYS A 73 4.110 6.140 2.377 1.00 0.00 N ATOM 1112 CA LYS A 73 3.800 7.558 2.393 1.00 0.00 C ATOM 1113 C LYS A 73 3.778 8.074 0.970 1.00 0.00 C ATOM 1114 O LYS A 73 4.818 8.170 0.313 1.00 0.00 O ATOM 1115 CB LYS A 73 4.826 8.341 3.208 1.00 0.00 C ATOM 1116 CG LYS A 73 4.967 7.870 4.647 1.00 0.00 C ATOM 1117 CD LYS A 73 6.032 8.661 5.384 1.00 0.00 C ATOM 1118 CE LYS A 73 6.127 8.249 6.845 1.00 0.00 C ATOM 1119 NZ LYS A 73 7.189 9.007 7.560 1.00 0.00 N ATOM 0 H LYS A 73 4.911 5.897 1.794 1.00 0.00 H new ATOM 0 HA LYS A 73 2.825 7.696 2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.796 8.268 2.717 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.547 9.395 3.208 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.012 7.975 5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.222 6.810 4.662 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.997 8.511 4.900 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.805 9.725 5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.167 8.417 7.334 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.335 7.181 6.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.226 8.700 8.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.108 8.827 7.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.977 10.024 7.519 1.00 0.00 H new ATOM 1133 N ALA A 74 2.593 8.372 0.494 1.00 0.00 N ATOM 1134 CA ALA A 74 2.405 8.818 -0.876 1.00 0.00 C ATOM 1135 C ALA A 74 2.376 10.337 -0.951 1.00 0.00 C ATOM 1136 O ALA A 74 1.372 10.965 -0.621 1.00 0.00 O ATOM 1137 CB ALA A 74 1.127 8.233 -1.455 1.00 0.00 C ATOM 0 H ALA A 74 1.732 8.314 1.038 1.00 0.00 H new ATOM 0 HA ALA A 74 3.249 8.464 -1.468 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.002 8.577 -2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.186 7.145 -1.442 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.275 8.557 -0.857 1.00 0.00 H new ATOM 1143 N GLN A 75 3.487 10.917 -1.375 1.00 0.00 N ATOM 1144 CA GLN A 75 3.609 12.358 -1.516 1.00 0.00 C ATOM 1145 C GLN A 75 4.161 12.687 -2.897 1.00 0.00 C ATOM 1146 O GLN A 75 4.776 13.731 -3.114 1.00 0.00 O ATOM 1147 CB GLN A 75 4.515 12.912 -0.414 1.00 0.00 C ATOM 1148 CG GLN A 75 5.879 12.244 -0.342 1.00 0.00 C ATOM 1149 CD GLN A 75 6.693 12.695 0.856 1.00 0.00 C ATOM 1150 OE1 GLN A 75 6.555 13.821 1.338 1.00 0.00 O ATOM 1151 NE2 GLN A 75 7.549 11.817 1.351 1.00 0.00 N ATOM 0 H GLN A 75 4.329 10.402 -1.631 1.00 0.00 H new ATOM 0 HA GLN A 75 2.629 12.824 -1.415 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.653 13.981 -0.575 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.014 12.796 0.547 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.747 11.163 -0.299 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.434 12.462 -1.255 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.636 10.894 0.926 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.122 12.063 2.158 1.00 0.00 H new ATOM 1160 N GLN A 76 3.913 11.781 -3.832 1.00 0.00 N ATOM 1161 CA GLN A 76 4.412 11.907 -5.193 1.00 0.00 C ATOM 1162 C GLN A 76 3.715 13.047 -5.930 1.00 0.00 C ATOM 1163 O GLN A 76 4.367 13.916 -6.505 1.00 0.00 O ATOM 1164 CB GLN A 76 4.202 10.591 -5.948 1.00 0.00 C ATOM 1165 CG GLN A 76 4.668 10.623 -7.395 1.00 0.00 C ATOM 1166 CD GLN A 76 6.175 10.727 -7.530 1.00 0.00 C ATOM 1167 OE1 GLN A 76 6.875 9.714 -7.600 1.00 0.00 O ATOM 1168 NE2 GLN A 76 6.690 11.946 -7.578 1.00 0.00 N ATOM 0 H GLN A 76 3.361 10.939 -3.668 1.00 0.00 H new ATOM 0 HA GLN A 76 5.477 12.133 -5.147 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.733 9.796 -5.424 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.142 10.336 -5.925 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.325 9.721 -7.902 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.204 11.469 -7.902 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.079 12.761 -7.517 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.698 12.070 -7.676 1.00 0.00 H new ATOM 1177 N TYR A 77 2.390 13.037 -5.907 1.00 0.00 N ATOM 1178 CA TYR A 77 1.606 13.989 -6.648 1.00 0.00 C ATOM 1179 C TYR A 77 1.238 15.215 -5.820 1.00 0.00 C ATOM 1180 O TYR A 77 1.350 15.217 -4.589 1.00 0.00 O ATOM 1181 CB TYR A 77 0.347 13.300 -7.143 1.00 0.00 C ATOM 1182 CG TYR A 77 0.470 12.753 -8.546 1.00 0.00 C ATOM 1183 CD1 TYR A 77 0.959 11.474 -8.776 1.00 0.00 C ATOM 1184 CD2 TYR A 77 0.094 13.520 -9.638 1.00 0.00 C ATOM 1185 CE1 TYR A 77 1.075 10.976 -10.060 1.00 0.00 C ATOM 1186 CE2 TYR A 77 0.207 13.030 -10.924 1.00 0.00 C ATOM 1187 CZ TYR A 77 0.695 11.759 -11.130 1.00 0.00 C ATOM 1188 OH TYR A 77 0.803 11.270 -12.412 1.00 0.00 O ATOM 0 H TYR A 77 1.838 12.366 -5.372 1.00 0.00 H new ATOM 0 HA TYR A 77 2.207 14.345 -7.485 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.098 12.484 -6.464 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.482 14.007 -7.109 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.253 10.859 -7.939 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -0.293 14.516 -9.480 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.461 9.981 -10.224 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.086 13.641 -11.765 1.00 0.00 H new ATOM 0 HH TYR A 77 0.492 11.948 -13.048 1.00 0.00 H new ATOM 1198 N ARG A 78 0.795 16.248 -6.523 1.00 0.00 N ATOM 1199 CA ARG A 78 0.409 17.518 -5.919 1.00 0.00 C ATOM 1200 C ARG A 78 -0.866 17.378 -5.090 1.00 0.00 C ATOM 1201 O ARG A 78 -1.025 18.031 -4.059 1.00 0.00 O ATOM 1202 CB ARG A 78 0.184 18.549 -7.027 1.00 0.00 C ATOM 1203 CG ARG A 78 -0.048 19.962 -6.526 1.00 0.00 C ATOM 1204 CD ARG A 78 1.190 20.504 -5.843 1.00 0.00 C ATOM 1205 NE ARG A 78 1.060 21.925 -5.526 1.00 0.00 N ATOM 1206 CZ ARG A 78 2.090 22.764 -5.398 1.00 0.00 C ATOM 1207 NH1 ARG A 78 3.336 22.343 -5.599 1.00 0.00 N ATOM 1208 NH2 ARG A 78 1.874 24.034 -5.083 1.00 0.00 N ATOM 0 H ARG A 78 0.692 16.229 -7.538 1.00 0.00 H new ATOM 0 HA ARG A 78 1.210 17.840 -5.254 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.050 18.548 -7.689 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.675 18.242 -7.624 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.320 20.608 -7.361 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.886 19.972 -5.829 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.374 19.943 -4.927 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.056 20.354 -6.488 1.00 0.00 H new ATOM 0 HE ARG A 78 0.121 22.300 -5.394 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.511 21.371 -5.854 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.116 22.992 -5.499 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.921 24.369 -4.939 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.661 24.676 -4.985 1.00 0.00 H new ATOM 1222 N THR A 79 -1.768 16.538 -5.560 1.00 0.00 N ATOM 1223 CA THR A 79 -3.055 16.343 -4.912 1.00 0.00 C ATOM 1224 C THR A 79 -3.110 15.016 -4.163 1.00 0.00 C ATOM 1225 O THR A 79 -2.296 14.120 -4.399 1.00 0.00 O ATOM 1226 CB THR A 79 -4.194 16.374 -5.946 1.00 0.00 C ATOM 1227 OG1 THR A 79 -3.923 15.427 -6.989 1.00 0.00 O ATOM 1228 CG2 THR A 79 -4.360 17.766 -6.536 1.00 0.00 C ATOM 0 H THR A 79 -1.632 15.973 -6.398 1.00 0.00 H new ATOM 0 HA THR A 79 -3.179 17.158 -4.199 1.00 0.00 H new ATOM 0 HB THR A 79 -5.124 16.108 -5.444 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.699 15.365 -7.584 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.172 17.758 -7.263 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.593 18.473 -5.740 1.00 0.00 H new ATOM 0 HG23 THR A 79 -3.435 18.065 -7.028 1.00 0.00 H new ATOM 1236 N GLN A 80 -4.084 14.892 -3.268 1.00 0.00 N ATOM 1237 CA GLN A 80 -4.299 13.649 -2.537 1.00 0.00 C ATOM 1238 C GLN A 80 -4.959 12.615 -3.434 1.00 0.00 C ATOM 1239 O GLN A 80 -4.703 11.421 -3.315 1.00 0.00 O ATOM 1240 CB GLN A 80 -5.186 13.869 -1.312 1.00 0.00 C ATOM 1241 CG GLN A 80 -4.572 14.744 -0.240 1.00 0.00 C ATOM 1242 CD GLN A 80 -5.428 14.781 1.010 1.00 0.00 C ATOM 1243 OE1 GLN A 80 -6.650 14.655 0.944 1.00 0.00 O ATOM 1244 NE2 GLN A 80 -4.796 14.953 2.158 1.00 0.00 N ATOM 0 H GLN A 80 -4.738 15.638 -3.031 1.00 0.00 H new ATOM 0 HA GLN A 80 -3.322 13.293 -2.210 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.125 14.318 -1.635 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -5.429 12.900 -0.877 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.579 14.371 0.010 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.445 15.756 -0.624 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.781 15.054 2.171 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.323 14.985 3.031 1.00 0.00 H new ATOM 1253 N GLU A 81 -5.802 13.096 -4.340 1.00 0.00 N ATOM 1254 CA GLU A 81 -6.580 12.230 -5.218 1.00 0.00 C ATOM 1255 C GLU A 81 -5.676 11.333 -6.057 1.00 0.00 C ATOM 1256 O GLU A 81 -5.860 10.115 -6.097 1.00 0.00 O ATOM 1257 CB GLU A 81 -7.469 13.080 -6.133 1.00 0.00 C ATOM 1258 CG GLU A 81 -8.376 12.268 -7.042 1.00 0.00 C ATOM 1259 CD GLU A 81 -9.076 13.127 -8.075 1.00 0.00 C ATOM 1260 OE1 GLU A 81 -10.155 13.676 -7.773 1.00 0.00 O ATOM 1261 OE2 GLU A 81 -8.540 13.266 -9.193 1.00 0.00 O ATOM 0 H GLU A 81 -5.965 14.092 -4.487 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.205 11.590 -4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.083 13.737 -5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.835 13.719 -6.747 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.788 11.503 -7.548 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.121 11.750 -6.439 1.00 0.00 H new ATOM 1268 N GLN A 82 -4.696 11.934 -6.709 1.00 0.00 N ATOM 1269 CA GLN A 82 -3.789 11.187 -7.565 1.00 0.00 C ATOM 1270 C GLN A 82 -2.917 10.249 -6.746 1.00 0.00 C ATOM 1271 O GLN A 82 -2.681 9.116 -7.151 1.00 0.00 O ATOM 1272 CB GLN A 82 -2.930 12.138 -8.397 1.00 0.00 C ATOM 1273 CG GLN A 82 -3.588 12.612 -9.689 1.00 0.00 C ATOM 1274 CD GLN A 82 -4.995 13.144 -9.487 1.00 0.00 C ATOM 1275 OE1 GLN A 82 -5.191 14.324 -9.206 1.00 0.00 O ATOM 1276 NE2 GLN A 82 -5.984 12.279 -9.657 1.00 0.00 N ATOM 0 H GLN A 82 -4.508 12.935 -6.663 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.387 10.581 -8.246 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.680 13.008 -7.790 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.992 11.641 -8.642 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.973 13.393 -10.137 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.618 11.784 -10.398 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.778 11.308 -9.890 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.952 12.584 -9.555 1.00 0.00 H new ATOM 1285 N ASN A 83 -2.464 10.711 -5.580 1.00 0.00 N ATOM 1286 CA ASN A 83 -1.684 9.861 -4.681 1.00 0.00 C ATOM 1287 C ASN A 83 -2.513 8.677 -4.208 1.00 0.00 C ATOM 1288 O ASN A 83 -1.997 7.573 -4.049 1.00 0.00 O ATOM 1289 CB ASN A 83 -1.168 10.645 -3.470 1.00 0.00 C ATOM 1290 CG ASN A 83 0.033 11.506 -3.802 1.00 0.00 C ATOM 1291 OD1 ASN A 83 0.830 11.169 -4.675 1.00 0.00 O ATOM 1292 ND2 ASN A 83 0.189 12.613 -3.097 1.00 0.00 N ATOM 0 H ASN A 83 -2.622 11.659 -5.239 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.825 9.497 -5.245 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -1.968 11.277 -3.083 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.902 9.947 -2.677 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.991 13.219 -3.270 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.493 12.861 -2.380 1.00 0.00 H new ATOM 1299 N ARG A 84 -3.802 8.911 -3.989 1.00 0.00 N ATOM 1300 CA ARG A 84 -4.704 7.864 -3.541 1.00 0.00 C ATOM 1301 C ARG A 84 -4.854 6.802 -4.620 1.00 0.00 C ATOM 1302 O ARG A 84 -4.650 5.613 -4.373 1.00 0.00 O ATOM 1303 CB ARG A 84 -6.069 8.466 -3.217 1.00 0.00 C ATOM 1304 CG ARG A 84 -7.012 7.518 -2.499 1.00 0.00 C ATOM 1305 CD ARG A 84 -8.313 8.218 -2.142 1.00 0.00 C ATOM 1306 NE ARG A 84 -9.238 7.344 -1.421 1.00 0.00 N ATOM 1307 CZ ARG A 84 -9.979 7.739 -0.385 1.00 0.00 C ATOM 1308 NH1 ARG A 84 -9.855 8.973 0.093 1.00 0.00 N ATOM 1309 NH2 ARG A 84 -10.830 6.891 0.181 1.00 0.00 N ATOM 0 H ARG A 84 -4.244 9.821 -4.116 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.291 7.400 -2.645 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.925 9.354 -2.601 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.538 8.794 -4.144 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.220 6.656 -3.132 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.536 7.141 -1.594 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.095 9.094 -1.531 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.792 8.576 -3.054 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.321 6.375 -1.729 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.192 9.621 -0.333 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.423 9.272 0.885 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.916 5.940 -0.177 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.398 7.191 0.974 1.00 0.00 H new ATOM 1323 N ALA A 85 -5.190 7.250 -5.821 1.00 0.00 N ATOM 1324 CA ALA A 85 -5.439 6.344 -6.937 1.00 0.00 C ATOM 1325 C ALA A 85 -4.169 5.609 -7.358 1.00 0.00 C ATOM 1326 O ALA A 85 -4.210 4.426 -7.699 1.00 0.00 O ATOM 1327 CB ALA A 85 -6.024 7.110 -8.115 1.00 0.00 C ATOM 0 H ALA A 85 -5.297 8.238 -6.050 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.159 5.596 -6.605 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.205 6.423 -8.942 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.964 7.575 -7.816 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.322 7.882 -8.432 1.00 0.00 H new ATOM 1333 N ASP A 86 -3.047 6.315 -7.331 1.00 0.00 N ATOM 1334 CA ASP A 86 -1.765 5.741 -7.731 1.00 0.00 C ATOM 1335 C ASP A 86 -1.325 4.664 -6.747 1.00 0.00 C ATOM 1336 O ASP A 86 -1.012 3.537 -7.138 1.00 0.00 O ATOM 1337 CB ASP A 86 -0.698 6.833 -7.800 1.00 0.00 C ATOM 1338 CG ASP A 86 0.594 6.345 -8.421 1.00 0.00 C ATOM 1339 OD1 ASP A 86 1.429 5.774 -7.690 1.00 0.00 O ATOM 1340 OD2 ASP A 86 0.778 6.537 -9.646 1.00 0.00 O ATOM 0 H ASP A 86 -2.996 7.290 -7.035 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.888 5.290 -8.716 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.080 7.674 -8.379 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.497 7.203 -6.795 1.00 0.00 H new ATOM 1345 N ALA A 87 -1.329 5.019 -5.465 1.00 0.00 N ATOM 1346 CA ALA A 87 -0.889 4.117 -4.405 1.00 0.00 C ATOM 1347 C ALA A 87 -1.700 2.825 -4.391 1.00 0.00 C ATOM 1348 O ALA A 87 -1.140 1.743 -4.244 1.00 0.00 O ATOM 1349 CB ALA A 87 -0.980 4.808 -3.052 1.00 0.00 C ATOM 0 H ALA A 87 -1.635 5.934 -5.133 1.00 0.00 H new ATOM 0 HA ALA A 87 0.150 3.855 -4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.649 4.124 -2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.344 5.693 -3.052 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.012 5.103 -2.863 1.00 0.00 H new ATOM 1355 N LEU A 88 -3.015 2.940 -4.554 1.00 0.00 N ATOM 1356 CA LEU A 88 -3.886 1.771 -4.546 1.00 0.00 C ATOM 1357 C LEU A 88 -3.563 0.835 -5.706 1.00 0.00 C ATOM 1358 O LEU A 88 -3.675 -0.386 -5.579 1.00 0.00 O ATOM 1359 CB LEU A 88 -5.357 2.195 -4.600 1.00 0.00 C ATOM 1360 CG LEU A 88 -5.869 2.931 -3.361 1.00 0.00 C ATOM 1361 CD1 LEU A 88 -7.334 3.303 -3.526 1.00 0.00 C ATOM 1362 CD2 LEU A 88 -5.672 2.084 -2.114 1.00 0.00 C ATOM 0 H LEU A 88 -3.498 3.827 -4.693 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.711 1.231 -3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.502 2.836 -5.469 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.969 1.306 -4.754 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.292 3.849 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.679 3.826 -2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.449 3.952 -4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.925 2.398 -3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.043 2.626 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.221 1.148 -2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.611 1.870 -1.983 1.00 0.00 H new ATOM 1374 N LEU A 89 -3.151 1.407 -6.828 1.00 0.00 N ATOM 1375 CA LEU A 89 -2.790 0.618 -7.997 1.00 0.00 C ATOM 1376 C LEU A 89 -1.455 -0.086 -7.757 1.00 0.00 C ATOM 1377 O LEU A 89 -1.316 -1.282 -8.010 1.00 0.00 O ATOM 1378 CB LEU A 89 -2.719 1.528 -9.232 1.00 0.00 C ATOM 1379 CG LEU A 89 -2.868 0.842 -10.597 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -1.635 0.017 -10.947 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -4.120 -0.029 -10.624 1.00 0.00 C ATOM 0 H LEU A 89 -3.058 2.415 -6.954 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.549 -0.144 -8.173 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.498 2.285 -9.144 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.763 2.052 -9.216 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.968 1.623 -11.351 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.776 -0.454 -11.920 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.760 0.667 -10.982 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.485 -0.753 -10.190 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.209 -0.507 -11.599 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.048 -0.793 -9.850 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.998 0.590 -10.442 1.00 0.00 H new ATOM 1393 N ARG A 90 -0.482 0.660 -7.251 1.00 0.00 N ATOM 1394 CA ARG A 90 0.836 0.107 -6.963 1.00 0.00 C ATOM 1395 C ARG A 90 0.767 -0.956 -5.870 1.00 0.00 C ATOM 1396 O ARG A 90 1.507 -1.938 -5.909 1.00 0.00 O ATOM 1397 CB ARG A 90 1.804 1.220 -6.552 1.00 0.00 C ATOM 1398 CG ARG A 90 2.538 1.857 -7.725 1.00 0.00 C ATOM 1399 CD ARG A 90 3.339 3.074 -7.285 1.00 0.00 C ATOM 1400 NE ARG A 90 4.466 3.357 -8.178 1.00 0.00 N ATOM 1401 CZ ARG A 90 4.703 4.549 -8.730 1.00 0.00 C ATOM 1402 NH1 ARG A 90 3.828 5.536 -8.610 1.00 0.00 N ATOM 1403 NH2 ARG A 90 5.814 4.744 -9.426 1.00 0.00 N ATOM 0 H ARG A 90 -0.580 1.651 -7.031 1.00 0.00 H new ATOM 0 HA ARG A 90 1.203 -0.367 -7.874 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.250 1.993 -6.019 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.536 0.813 -5.854 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.206 1.125 -8.179 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.819 2.150 -8.490 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.682 3.943 -7.248 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.712 2.913 -6.274 1.00 0.00 H new ATOM 0 HE ARG A 90 5.110 2.595 -8.391 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.962 5.390 -8.091 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.020 6.443 -9.036 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.485 3.984 -9.539 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.998 5.654 -9.849 1.00 0.00 H new ATOM 1417 N LEU A 91 -0.126 -0.758 -4.901 1.00 0.00 N ATOM 1418 CA LEU A 91 -0.289 -1.695 -3.794 1.00 0.00 C ATOM 1419 C LEU A 91 -0.824 -3.030 -4.287 1.00 0.00 C ATOM 1420 O LEU A 91 -0.268 -4.087 -3.990 1.00 0.00 O ATOM 1421 CB LEU A 91 -1.248 -1.116 -2.751 1.00 0.00 C ATOM 1422 CG LEU A 91 -1.367 -1.919 -1.452 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -0.030 -1.971 -0.729 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -2.440 -1.320 -0.552 1.00 0.00 C ATOM 0 H LEU A 91 -0.750 0.048 -4.862 1.00 0.00 H new ATOM 0 HA LEU A 91 0.689 -1.856 -3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.923 -0.105 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.238 -1.033 -3.199 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.658 -2.939 -1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.136 -2.546 0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.712 -2.446 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.293 -0.958 -0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.511 -1.903 0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.178 -0.290 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.400 -1.338 -1.069 1.00 0.00 H new ATOM 1436 N SER A 92 -1.904 -2.972 -5.046 1.00 0.00 N ATOM 1437 CA SER A 92 -2.539 -4.176 -5.565 1.00 0.00 C ATOM 1438 C SER A 92 -1.600 -4.938 -6.494 1.00 0.00 C ATOM 1439 O SER A 92 -1.512 -6.169 -6.436 1.00 0.00 O ATOM 1440 CB SER A 92 -3.840 -3.815 -6.280 1.00 0.00 C ATOM 1441 OG SER A 92 -3.674 -2.677 -7.108 1.00 0.00 O ATOM 0 H SER A 92 -2.363 -2.103 -5.319 1.00 0.00 H new ATOM 0 HA SER A 92 -2.772 -4.831 -4.726 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.173 -4.660 -6.882 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.620 -3.621 -5.544 1.00 0.00 H new ATOM 0 HG SER A 92 -3.820 -1.864 -6.580 1.00 0.00 H new ATOM 1447 N GLU A 93 -0.894 -4.202 -7.339 1.00 0.00 N ATOM 1448 CA GLU A 93 0.074 -4.797 -8.242 1.00 0.00 C ATOM 1449 C GLU A 93 1.202 -5.444 -7.451 1.00 0.00 C ATOM 1450 O GLU A 93 1.635 -6.537 -7.777 1.00 0.00 O ATOM 1451 CB GLU A 93 0.636 -3.737 -9.191 1.00 0.00 C ATOM 1452 CG GLU A 93 1.086 -4.277 -10.543 1.00 0.00 C ATOM 1453 CD GLU A 93 2.301 -5.194 -10.474 1.00 0.00 C ATOM 1454 OE1 GLU A 93 3.386 -4.722 -10.081 1.00 0.00 O ATOM 1455 OE2 GLU A 93 2.181 -6.384 -10.848 1.00 0.00 O ATOM 0 H GLU A 93 -0.975 -3.188 -7.417 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.426 -5.565 -8.833 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.124 -2.973 -9.353 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.482 -3.247 -8.709 1.00 0.00 H new ATOM 0 HG2 GLU A 93 0.259 -4.822 -10.998 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.315 -3.438 -11.200 1.00 0.00 H new ATOM 1462 N LEU A 94 1.647 -4.776 -6.391 1.00 0.00 N ATOM 1463 CA LEU A 94 2.746 -5.272 -5.560 1.00 0.00 C ATOM 1464 C LEU A 94 2.449 -6.674 -5.025 1.00 0.00 C ATOM 1465 O LEU A 94 3.340 -7.522 -4.949 1.00 0.00 O ATOM 1466 CB LEU A 94 3.001 -4.318 -4.392 1.00 0.00 C ATOM 1467 CG LEU A 94 4.179 -4.684 -3.489 1.00 0.00 C ATOM 1468 CD1 LEU A 94 5.489 -4.636 -4.263 1.00 0.00 C ATOM 1469 CD2 LEU A 94 4.237 -3.758 -2.283 1.00 0.00 C ATOM 0 H LEU A 94 1.262 -3.883 -6.083 1.00 0.00 H new ATOM 0 HA LEU A 94 3.637 -5.325 -6.185 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.169 -3.318 -4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.099 -4.269 -3.782 1.00 0.00 H new ATOM 0 HG LEU A 94 4.031 -5.704 -3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.313 -4.900 -3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.448 -5.344 -5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.645 -3.630 -4.653 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.082 -4.034 -1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.357 -2.728 -2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.313 -3.847 -1.711 1.00 0.00 H new ATOM 1481 N ILE A 95 1.196 -6.908 -4.667 1.00 0.00 N ATOM 1482 CA ILE A 95 0.770 -8.211 -4.173 1.00 0.00 C ATOM 1483 C ILE A 95 0.988 -9.292 -5.236 1.00 0.00 C ATOM 1484 O ILE A 95 1.501 -10.373 -4.948 1.00 0.00 O ATOM 1485 CB ILE A 95 -0.716 -8.178 -3.752 1.00 0.00 C ATOM 1486 CG1 ILE A 95 -0.937 -7.104 -2.681 1.00 0.00 C ATOM 1487 CG2 ILE A 95 -1.157 -9.540 -3.239 1.00 0.00 C ATOM 1488 CD1 ILE A 95 -2.387 -6.925 -2.280 1.00 0.00 C ATOM 0 H ILE A 95 0.453 -6.211 -4.709 1.00 0.00 H new ATOM 0 HA ILE A 95 1.376 -8.452 -3.299 1.00 0.00 H new ATOM 0 HB ILE A 95 -1.320 -7.931 -4.625 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.355 -7.362 -1.796 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.552 -6.153 -3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.206 -9.497 -2.947 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -1.029 -10.284 -4.025 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.552 -9.817 -2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.461 -6.148 -1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.973 -6.635 -3.152 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.772 -7.863 -1.880 1.00 0.00 H new ATOM 1500 N VAL A 96 0.623 -8.976 -6.471 1.00 0.00 N ATOM 1501 CA VAL A 96 0.816 -9.884 -7.591 1.00 0.00 C ATOM 1502 C VAL A 96 2.287 -9.895 -8.012 1.00 0.00 C ATOM 1503 O VAL A 96 2.817 -10.909 -8.463 1.00 0.00 O ATOM 1504 CB VAL A 96 -0.070 -9.486 -8.796 1.00 0.00 C ATOM 1505 CG1 VAL A 96 0.026 -10.517 -9.908 1.00 0.00 C ATOM 1506 CG2 VAL A 96 -1.517 -9.302 -8.363 1.00 0.00 C ATOM 0 H VAL A 96 0.188 -8.089 -6.723 1.00 0.00 H new ATOM 0 HA VAL A 96 0.523 -10.883 -7.267 1.00 0.00 H new ATOM 0 HB VAL A 96 0.298 -8.536 -9.182 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.606 -10.213 -10.742 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.060 -10.593 -10.245 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.307 -11.486 -9.536 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.122 -9.022 -9.225 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.893 -10.235 -7.943 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.574 -8.516 -7.610 1.00 0.00 H new ATOM 1516 N ASN A 97 2.932 -8.748 -7.870 1.00 0.00 N ATOM 1517 CA ASN A 97 4.343 -8.585 -8.208 1.00 0.00 C ATOM 1518 C ASN A 97 5.201 -9.552 -7.400 1.00 0.00 C ATOM 1519 O ASN A 97 6.194 -10.083 -7.892 1.00 0.00 O ATOM 1520 CB ASN A 97 4.788 -7.149 -7.922 1.00 0.00 C ATOM 1521 CG ASN A 97 6.005 -6.739 -8.728 1.00 0.00 C ATOM 1522 OD1 ASN A 97 7.143 -7.038 -8.367 1.00 0.00 O ATOM 1523 ND2 ASN A 97 5.768 -6.009 -9.804 1.00 0.00 N ATOM 0 H ASN A 97 2.493 -7.898 -7.516 1.00 0.00 H new ATOM 0 HA ASN A 97 4.469 -8.800 -9.269 1.00 0.00 H new ATOM 0 HB2 ASN A 97 3.966 -6.468 -8.142 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.010 -7.047 -6.860 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.545 -5.670 -10.372 1.00 0.00 H new ATOM 0 HD22 ASN A 97 4.808 -5.785 -10.067 1.00 0.00 H new ATOM 1530 N ALA A 98 4.794 -9.786 -6.155 1.00 0.00 N ATOM 1531 CA ALA A 98 5.488 -10.716 -5.276 1.00 0.00 C ATOM 1532 C ALA A 98 5.409 -12.145 -5.815 1.00 0.00 C ATOM 1533 O ALA A 98 6.251 -12.987 -5.504 1.00 0.00 O ATOM 1534 CB ALA A 98 4.909 -10.643 -3.871 1.00 0.00 C ATOM 0 H ALA A 98 3.980 -9.339 -5.732 1.00 0.00 H new ATOM 0 HA ALA A 98 6.539 -10.430 -5.238 1.00 0.00 H new ATOM 0 HB1 ALA A 98 5.436 -11.343 -3.223 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.024 -9.631 -3.482 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.851 -10.902 -3.900 1.00 0.00 H new ATOM 1540 N ALA A 99 4.394 -12.410 -6.630 1.00 0.00 N ATOM 1541 CA ALA A 99 4.229 -13.722 -7.245 1.00 0.00 C ATOM 1542 C ALA A 99 5.044 -13.818 -8.532 1.00 0.00 C ATOM 1543 O ALA A 99 5.189 -14.895 -9.107 1.00 0.00 O ATOM 1544 CB ALA A 99 2.757 -13.996 -7.519 1.00 0.00 C ATOM 0 H ALA A 99 3.673 -11.733 -6.880 1.00 0.00 H new ATOM 0 HA ALA A 99 4.598 -14.478 -6.552 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.649 -14.979 -7.978 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.202 -13.970 -6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.365 -13.235 -8.194 1.00 0.00 H new ATOM 1550 N LYS A 100 5.580 -12.683 -8.967 1.00 0.00 N ATOM 1551 CA LYS A 100 6.418 -12.634 -10.162 1.00 0.00 C ATOM 1552 C LYS A 100 7.863 -12.961 -9.809 1.00 0.00 C ATOM 1553 O LYS A 100 8.660 -13.339 -10.668 1.00 0.00 O ATOM 1554 CB LYS A 100 6.360 -11.244 -10.804 1.00 0.00 C ATOM 1555 CG LYS A 100 4.979 -10.834 -11.294 1.00 0.00 C ATOM 1556 CD LYS A 100 5.021 -9.475 -11.976 1.00 0.00 C ATOM 1557 CE LYS A 100 3.699 -9.142 -12.657 1.00 0.00 C ATOM 1558 NZ LYS A 100 2.598 -8.904 -11.685 1.00 0.00 N ATOM 0 H LYS A 100 5.449 -11.781 -8.509 1.00 0.00 H new ATOM 0 HA LYS A 100 6.040 -13.372 -10.869 1.00 0.00 H new ATOM 0 HB2 LYS A 100 6.708 -10.508 -10.079 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.053 -11.216 -11.645 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.600 -11.582 -11.990 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.286 -10.801 -10.453 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.254 -8.706 -11.240 1.00 0.00 H new ATOM 0 HD3 LYS A 100 5.823 -9.463 -12.714 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.828 -8.256 -13.278 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.421 -9.960 -13.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.775 -9.484 -11.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.917 -9.162 -10.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 2.332 -7.899 -11.701 1.00 0.00 H new ATOM 1572 N LEU A 101 8.180 -12.807 -8.537 1.00 0.00 N ATOM 1573 CA LEU A 101 9.531 -12.989 -8.040 1.00 0.00 C ATOM 1574 C LEU A 101 9.856 -14.468 -7.838 1.00 0.00 C ATOM 1575 O LEU A 101 9.123 -15.348 -8.298 1.00 0.00 O ATOM 1576 CB LEU A 101 9.681 -12.235 -6.721 1.00 0.00 C ATOM 1577 CG LEU A 101 9.407 -10.731 -6.796 1.00 0.00 C ATOM 1578 CD1 LEU A 101 9.508 -10.096 -5.417 1.00 0.00 C ATOM 1579 CD2 LEU A 101 10.372 -10.058 -7.763 1.00 0.00 C ATOM 0 H LEU A 101 7.505 -12.551 -7.816 1.00 0.00 H new ATOM 0 HA LEU A 101 10.231 -12.595 -8.777 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.003 -12.676 -5.990 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.694 -12.386 -6.348 1.00 0.00 H new ATOM 0 HG LEU A 101 8.392 -10.589 -7.166 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.310 -9.027 -5.493 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.777 -10.554 -4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.510 -10.252 -5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.161 -8.989 -7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 101 11.396 -10.214 -7.423 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.251 -10.489 -8.757 1.00 0.00 H new