USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 532 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 52 THR OG1 : rot 180:sc= 0.9 USER MOD Set 1.2: A 53 SER OG : rot -34:sc= 1.04 USER MOD Set 1.3: A 56 THR OG1 : rot 125:sc= 2.21 USER MOD Set 2.1: A 37 SER OG : rot 110:sc= 0.819 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.729 X(o=1.5,f=1.3) USER MOD Set 3.1: A 14 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 15 ASN : amide:sc= -0.0994 X(o=-0.051,f=-0.14) USER MOD Set 3.3: A 19 GLN : amide:sc= 0.0487 X(o=-0.051,f=-0.099) USER MOD Set 4.1: A 13 THR OG1 : rot 180:sc= 0.00593 USER MOD Set 4.2: A 16 SER OG : rot 180:sc= -0.0352 USER MOD Set 4.3: A 17 CYS SG : rot -100:sc= -0.0439 USER MOD Set 5.1: A 8 ASN : amide:sc= -0.24 K(o=-0.24,f=-1.5) USER MOD Set 5.2: A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 33:sc= 0.0938 USER MOD Single : A 3 GLN : amide:sc= 0.653 K(o=0.65,f=-0.064) USER MOD Single : A 5 THR OG1 : rot 140:sc= 0 USER MOD Single : A 12 MET CE :methyl -174:sc=-0.00636 (180deg=-0.106) USER MOD Single : A 20 SER OG : rot -78:sc= 0.488 USER MOD Single : A 26 SER OG : rot -43:sc= 0.749 USER MOD Single : A 27 LYS NZ :NH3+ -111:sc= 0.508 (180deg=-0.116) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -77:sc= 0.892 USER MOD Single : A 41 SER OG : rot 12:sc= 0.776 USER MOD Single : A 42 ASN : amide:sc= -0.355 K(o=-0.36,f=-2.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 168:sc= 0 (180deg=-0.252) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.344 -24.862 2.251 1.00 0.00 N ATOM 2 CA LEU A 1 4.721 -24.349 2.118 1.00 0.00 C ATOM 3 C LEU A 1 4.745 -22.842 1.849 1.00 0.00 C ATOM 4 O LEU A 1 5.553 -22.126 2.437 1.00 0.00 O ATOM 5 CB LEU A 1 5.484 -25.131 1.038 1.00 0.00 C ATOM 6 CG LEU A 1 6.964 -24.733 0.896 1.00 0.00 C ATOM 7 CD1 LEU A 1 7.757 -24.968 2.188 1.00 0.00 C ATOM 8 CD2 LEU A 1 7.592 -25.551 -0.238 1.00 0.00 C ATOM 0 H1 LEU A 1 3.371 -25.886 2.432 1.00 0.00 H new ATOM 0 H2 LEU A 1 2.870 -24.382 3.043 1.00 0.00 H new ATOM 0 H3 LEU A 1 2.819 -24.680 1.372 1.00 0.00 H new ATOM 0 HA LEU A 1 5.229 -24.503 3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 1 5.426 -26.195 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.986 -24.984 0.079 1.00 0.00 H new ATOM 0 HG LEU A 1 7.003 -23.666 0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 1 8.795 -24.672 2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 1 7.324 -24.375 2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 1 7.716 -26.024 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 1 8.641 -25.276 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 1 7.517 -26.613 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 1 7.065 -25.346 -1.170 1.00 0.00 H new ATOM 22 N THR A 2 3.856 -22.365 0.969 1.00 0.00 N ATOM 23 CA THR A 2 3.655 -20.953 0.675 1.00 0.00 C ATOM 24 C THR A 2 2.155 -20.700 0.516 1.00 0.00 C ATOM 25 O THR A 2 1.495 -21.379 -0.268 1.00 0.00 O ATOM 26 CB THR A 2 4.420 -20.547 -0.597 1.00 0.00 C ATOM 27 OG1 THR A 2 4.121 -21.427 -1.661 1.00 0.00 O ATOM 28 CG2 THR A 2 5.935 -20.530 -0.376 1.00 0.00 C ATOM 0 H THR A 2 3.242 -22.975 0.429 1.00 0.00 H new ATOM 0 HA THR A 2 4.043 -20.346 1.493 1.00 0.00 H new ATOM 0 HB THR A 2 4.096 -19.537 -0.848 1.00 0.00 H new ATOM 0 HG1 THR A 2 3.193 -21.732 -1.582 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.434 -20.238 -1.300 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.180 -19.816 0.410 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.271 -21.524 -0.081 1.00 0.00 H new ATOM 36 N GLN A 3 1.622 -19.728 1.266 1.00 0.00 N ATOM 37 CA GLN A 3 0.232 -19.292 1.218 1.00 0.00 C ATOM 38 C GLN A 3 0.183 -17.773 1.390 1.00 0.00 C ATOM 39 O GLN A 3 1.176 -17.157 1.772 1.00 0.00 O ATOM 40 CB GLN A 3 -0.575 -19.975 2.334 1.00 0.00 C ATOM 41 CG GLN A 3 -0.870 -21.458 2.076 1.00 0.00 C ATOM 42 CD GLN A 3 -1.855 -21.663 0.926 1.00 0.00 C ATOM 43 OE1 GLN A 3 -3.065 -21.609 1.129 1.00 0.00 O ATOM 44 NE2 GLN A 3 -1.346 -21.903 -0.284 1.00 0.00 N ATOM 0 H GLN A 3 2.173 -19.207 1.948 1.00 0.00 H new ATOM 0 HA GLN A 3 -0.205 -19.567 0.258 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.028 -19.882 3.272 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.519 -19.445 2.462 1.00 0.00 H new ATOM 0 HG2 GLN A 3 0.061 -21.977 1.850 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.275 -21.908 2.982 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.335 -21.940 -0.414 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.968 -22.049 -1.079 1.00 0.00 H new ATOM 53 N GLU A 4 -0.983 -17.179 1.106 1.00 0.00 N ATOM 54 CA GLU A 4 -1.253 -15.760 1.292 1.00 0.00 C ATOM 55 C GLU A 4 -2.537 -15.589 2.100 1.00 0.00 C ATOM 56 O GLU A 4 -3.421 -16.444 2.049 1.00 0.00 O ATOM 57 CB GLU A 4 -1.373 -15.052 -0.063 1.00 0.00 C ATOM 58 CG GLU A 4 -0.053 -15.076 -0.836 1.00 0.00 C ATOM 59 CD GLU A 4 -0.141 -14.223 -2.097 1.00 0.00 C ATOM 60 OE1 GLU A 4 -0.659 -14.751 -3.106 1.00 0.00 O ATOM 61 OE2 GLU A 4 0.309 -13.059 -2.030 1.00 0.00 O ATOM 0 H GLU A 4 -1.781 -17.691 0.731 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.424 -15.308 1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.151 -15.533 -0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.684 -14.019 0.093 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.752 -14.708 -0.199 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.197 -16.103 -1.104 1.00 0.00 H new ATOM 68 N THR A 5 -2.632 -14.484 2.847 1.00 0.00 N ATOM 69 CA THR A 5 -3.804 -14.147 3.640 1.00 0.00 C ATOM 70 C THR A 5 -3.941 -12.631 3.752 1.00 0.00 C ATOM 71 O THR A 5 -2.943 -11.927 3.907 1.00 0.00 O ATOM 72 CB THR A 5 -3.727 -14.816 5.025 1.00 0.00 C ATOM 73 OG1 THR A 5 -4.925 -14.583 5.737 1.00 0.00 O ATOM 74 CG2 THR A 5 -2.545 -14.318 5.869 1.00 0.00 C ATOM 0 H THR A 5 -1.884 -13.794 2.914 1.00 0.00 H new ATOM 0 HA THR A 5 -4.696 -14.528 3.142 1.00 0.00 H new ATOM 0 HB THR A 5 -3.579 -15.881 4.847 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.181 -15.396 6.221 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.546 -14.827 6.833 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.611 -14.529 5.348 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.637 -13.243 6.026 1.00 0.00 H new ATOM 82 N VAL A 6 -5.185 -12.141 3.684 1.00 0.00 N ATOM 83 CA VAL A 6 -5.529 -10.754 3.944 1.00 0.00 C ATOM 84 C VAL A 6 -6.073 -10.672 5.370 1.00 0.00 C ATOM 85 O VAL A 6 -6.959 -11.438 5.746 1.00 0.00 O ATOM 86 CB VAL A 6 -6.550 -10.243 2.911 1.00 0.00 C ATOM 87 CG1 VAL A 6 -6.844 -8.752 3.138 1.00 0.00 C ATOM 88 CG2 VAL A 6 -6.021 -10.419 1.482 1.00 0.00 C ATOM 0 H VAL A 6 -5.991 -12.717 3.441 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.651 -10.115 3.851 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.461 -10.827 3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.567 -8.407 2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.252 -8.610 4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.922 -8.180 3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.761 -10.050 0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.095 -9.857 1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.831 -11.475 1.292 1.00 0.00 H new ATOM 98 N ILE A 7 -5.535 -9.740 6.158 1.00 0.00 N ATOM 99 CA ILE A 7 -5.986 -9.441 7.509 1.00 0.00 C ATOM 100 C ILE A 7 -6.377 -7.966 7.497 1.00 0.00 C ATOM 101 O ILE A 7 -5.551 -7.134 7.139 1.00 0.00 O ATOM 102 CB ILE A 7 -4.855 -9.735 8.516 1.00 0.00 C ATOM 103 CG1 ILE A 7 -4.405 -11.206 8.401 1.00 0.00 C ATOM 104 CG2 ILE A 7 -5.316 -9.419 9.948 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.266 -11.573 9.357 1.00 0.00 C ATOM 0 H ILE A 7 -4.751 -9.158 5.861 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.833 -10.055 7.814 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.004 -9.095 8.282 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.258 -11.855 8.599 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.086 -11.401 7.377 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.506 -9.632 10.646 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.588 -8.366 10.018 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -6.180 -10.035 10.196 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.001 -12.622 9.222 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.398 -10.949 9.145 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.588 -11.410 10.386 1.00 0.00 H new ATOM 117 N ASN A 8 -7.617 -7.634 7.871 1.00 0.00 N ATOM 118 CA ASN A 8 -8.065 -6.251 7.985 1.00 0.00 C ATOM 119 C ASN A 8 -7.541 -5.677 9.300 1.00 0.00 C ATOM 120 O ASN A 8 -7.840 -6.211 10.366 1.00 0.00 O ATOM 121 CB ASN A 8 -9.594 -6.169 7.904 1.00 0.00 C ATOM 122 CG ASN A 8 -10.134 -6.559 6.529 1.00 0.00 C ATOM 123 OD1 ASN A 8 -9.415 -6.533 5.532 1.00 0.00 O ATOM 124 ND2 ASN A 8 -11.413 -6.933 6.471 1.00 0.00 N ATOM 0 H ASN A 8 -8.335 -8.320 8.102 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.671 -5.662 7.157 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -10.029 -6.823 8.659 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.912 -5.154 8.140 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -11.824 -7.209 5.579 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -11.980 -6.943 7.319 1.00 0.00 H new ATOM 131 N ILE A 9 -6.746 -4.604 9.202 1.00 0.00 N ATOM 132 CA ILE A 9 -6.027 -3.972 10.297 1.00 0.00 C ATOM 133 C ILE A 9 -6.533 -2.537 10.383 1.00 0.00 C ATOM 134 O ILE A 9 -6.154 -1.700 9.564 1.00 0.00 O ATOM 135 CB ILE A 9 -4.503 -4.008 10.051 1.00 0.00 C ATOM 136 CG1 ILE A 9 -3.989 -5.425 9.753 1.00 0.00 C ATOM 137 CG2 ILE A 9 -3.793 -3.447 11.293 1.00 0.00 C ATOM 138 CD1 ILE A 9 -2.543 -5.423 9.245 1.00 0.00 C ATOM 0 H ILE A 9 -6.584 -4.136 8.310 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.203 -4.501 11.233 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.287 -3.401 9.172 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.054 -6.030 10.657 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.633 -5.894 9.009 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.715 -3.466 11.135 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.117 -2.421 11.465 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.043 -4.056 12.161 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.225 -6.447 9.048 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.481 -4.841 8.325 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.893 -4.980 9.999 1.00 0.00 H new ATOM 150 N ASP A 10 -7.393 -2.254 11.365 1.00 0.00 N ATOM 151 CA ASP A 10 -8.012 -0.946 11.522 1.00 0.00 C ATOM 152 C ASP A 10 -7.285 -0.143 12.602 1.00 0.00 C ATOM 153 O ASP A 10 -6.812 -0.704 13.592 1.00 0.00 O ATOM 154 CB ASP A 10 -9.505 -1.111 11.827 1.00 0.00 C ATOM 155 CG ASP A 10 -10.208 -1.911 10.732 1.00 0.00 C ATOM 156 OD1 ASP A 10 -10.537 -1.291 9.697 1.00 0.00 O ATOM 157 OD2 ASP A 10 -10.398 -3.129 10.945 1.00 0.00 O ATOM 0 H ASP A 10 -7.677 -2.931 12.073 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.926 -0.384 10.592 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.629 -1.615 12.786 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.970 -0.130 11.920 1.00 0.00 H new ATOM 162 N GLY A 11 -7.199 1.177 12.391 1.00 0.00 N ATOM 163 CA GLY A 11 -6.586 2.127 13.309 1.00 0.00 C ATOM 164 C GLY A 11 -5.095 2.340 13.036 1.00 0.00 C ATOM 165 O GLY A 11 -4.332 2.550 13.977 1.00 0.00 O ATOM 0 H GLY A 11 -7.567 1.620 11.549 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.104 3.083 13.235 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.716 1.773 14.332 1.00 0.00 H new ATOM 169 N MET A 12 -4.681 2.300 11.762 1.00 0.00 N ATOM 170 CA MET A 12 -3.301 2.532 11.356 1.00 0.00 C ATOM 171 C MET A 12 -3.114 4.006 10.997 1.00 0.00 C ATOM 172 O MET A 12 -3.505 4.432 9.912 1.00 0.00 O ATOM 173 CB MET A 12 -2.934 1.633 10.166 1.00 0.00 C ATOM 174 CG MET A 12 -3.051 0.146 10.512 1.00 0.00 C ATOM 175 SD MET A 12 -2.333 -0.983 9.285 1.00 0.00 S ATOM 176 CE MET A 12 -3.272 -0.527 7.809 1.00 0.00 C ATOM 0 H MET A 12 -5.307 2.103 10.981 1.00 0.00 H new ATOM 0 HA MET A 12 -2.637 2.283 12.184 1.00 0.00 H new ATOM 0 HB2 MET A 12 -3.587 1.862 9.324 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.915 1.852 9.847 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.565 -0.028 11.472 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.105 -0.101 10.638 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.021 -1.206 6.994 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.339 -0.594 8.022 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.023 0.494 7.520 1.00 0.00 H new ATOM 186 N THR A 13 -2.511 4.783 11.904 1.00 0.00 N ATOM 187 CA THR A 13 -2.173 6.184 11.678 1.00 0.00 C ATOM 188 C THR A 13 -1.214 6.325 10.489 1.00 0.00 C ATOM 189 O THR A 13 -0.389 5.445 10.245 1.00 0.00 O ATOM 190 CB THR A 13 -1.569 6.784 12.958 1.00 0.00 C ATOM 191 OG1 THR A 13 -2.366 6.423 14.068 1.00 0.00 O ATOM 192 CG2 THR A 13 -1.474 8.312 12.894 1.00 0.00 C ATOM 0 H THR A 13 -2.242 4.446 12.828 1.00 0.00 H new ATOM 0 HA THR A 13 -3.080 6.736 11.433 1.00 0.00 H new ATOM 0 HB THR A 13 -0.559 6.387 13.059 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.981 6.804 14.885 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.041 8.689 13.821 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.843 8.602 12.054 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.471 8.733 12.761 1.00 0.00 H new ATOM 200 N CYS A 14 -1.344 7.438 9.755 1.00 0.00 N ATOM 201 CA CYS A 14 -0.610 7.729 8.530 1.00 0.00 C ATOM 202 C CYS A 14 0.893 7.490 8.681 1.00 0.00 C ATOM 203 O CYS A 14 1.515 8.059 9.577 1.00 0.00 O ATOM 204 CB CYS A 14 -0.897 9.171 8.096 1.00 0.00 C ATOM 205 SG CYS A 14 -0.110 9.501 6.497 1.00 0.00 S ATOM 0 H CYS A 14 -1.989 8.185 10.013 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.954 7.041 7.758 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.973 9.331 8.022 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.523 9.867 8.846 1.00 0.00 H new ATOM 0 HG CYS A 14 -0.360 10.724 6.135 1.00 0.00 H new ATOM 211 N ASN A 15 1.438 6.647 7.791 1.00 0.00 N ATOM 212 CA ASN A 15 2.842 6.295 7.597 1.00 0.00 C ATOM 213 C ASN A 15 3.504 5.555 8.765 1.00 0.00 C ATOM 214 O ASN A 15 4.078 4.490 8.550 1.00 0.00 O ATOM 215 CB ASN A 15 3.677 7.456 7.027 1.00 0.00 C ATOM 216 CG ASN A 15 4.165 8.474 8.056 1.00 0.00 C ATOM 217 OD1 ASN A 15 5.156 8.238 8.744 1.00 0.00 O ATOM 218 ND2 ASN A 15 3.487 9.618 8.152 1.00 0.00 N ATOM 0 H ASN A 15 0.844 6.150 7.128 1.00 0.00 H new ATOM 0 HA ASN A 15 2.823 5.533 6.817 1.00 0.00 H new ATOM 0 HB2 ASN A 15 4.543 7.041 6.512 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.081 7.978 6.278 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.786 10.334 8.814 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.669 9.777 7.564 1.00 0.00 H new ATOM 225 N SER A 16 3.451 6.100 9.984 1.00 0.00 N ATOM 226 CA SER A 16 4.118 5.557 11.159 1.00 0.00 C ATOM 227 C SER A 16 3.709 4.105 11.409 1.00 0.00 C ATOM 228 O SER A 16 4.555 3.211 11.444 1.00 0.00 O ATOM 229 CB SER A 16 3.800 6.449 12.365 1.00 0.00 C ATOM 230 OG SER A 16 2.403 6.592 12.534 1.00 0.00 O ATOM 0 H SER A 16 2.928 6.953 10.180 1.00 0.00 H new ATOM 0 HA SER A 16 5.195 5.551 10.994 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.237 6.018 13.266 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.256 7.430 12.227 1.00 0.00 H new ATOM 0 HG SER A 16 2.224 7.163 13.310 1.00 0.00 H new ATOM 236 N CYS A 17 2.402 3.880 11.573 1.00 0.00 N ATOM 237 CA CYS A 17 1.844 2.569 11.858 1.00 0.00 C ATOM 238 C CYS A 17 2.085 1.625 10.684 1.00 0.00 C ATOM 239 O CYS A 17 2.539 0.504 10.888 1.00 0.00 O ATOM 240 CB CYS A 17 0.357 2.686 12.192 1.00 0.00 C ATOM 241 SG CYS A 17 0.178 3.698 13.683 1.00 0.00 S ATOM 0 H CYS A 17 1.699 4.617 11.509 1.00 0.00 H new ATOM 0 HA CYS A 17 2.346 2.149 12.729 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.183 3.139 11.360 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.074 1.698 12.352 1.00 0.00 H new ATOM 0 HG CYS A 17 0.007 2.925 14.714 1.00 0.00 H new ATOM 247 N VAL A 18 1.797 2.086 9.461 1.00 0.00 N ATOM 248 CA VAL A 18 1.967 1.315 8.234 1.00 0.00 C ATOM 249 C VAL A 18 3.379 0.723 8.165 1.00 0.00 C ATOM 250 O VAL A 18 3.539 -0.492 8.050 1.00 0.00 O ATOM 251 CB VAL A 18 1.661 2.204 7.013 1.00 0.00 C ATOM 252 CG1 VAL A 18 1.826 1.424 5.703 1.00 0.00 C ATOM 253 CG2 VAL A 18 0.234 2.766 7.072 1.00 0.00 C ATOM 0 H VAL A 18 1.432 3.025 9.299 1.00 0.00 H new ATOM 0 HA VAL A 18 1.264 0.482 8.230 1.00 0.00 H new ATOM 0 HB VAL A 18 2.375 3.027 7.040 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.603 2.078 4.860 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.851 1.063 5.621 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.141 0.576 5.696 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.052 3.388 6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.481 1.943 7.088 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.116 3.366 7.974 1.00 0.00 H new ATOM 263 N GLN A 19 4.395 1.590 8.248 1.00 0.00 N ATOM 264 CA GLN A 19 5.799 1.219 8.159 1.00 0.00 C ATOM 265 C GLN A 19 6.204 0.282 9.297 1.00 0.00 C ATOM 266 O GLN A 19 6.830 -0.743 9.038 1.00 0.00 O ATOM 267 CB GLN A 19 6.671 2.480 8.163 1.00 0.00 C ATOM 268 CG GLN A 19 6.519 3.274 6.859 1.00 0.00 C ATOM 269 CD GLN A 19 7.242 4.617 6.937 1.00 0.00 C ATOM 270 OE1 GLN A 19 8.237 4.834 6.249 1.00 0.00 O ATOM 271 NE2 GLN A 19 6.738 5.524 7.776 1.00 0.00 N ATOM 0 H GLN A 19 4.253 2.591 8.382 1.00 0.00 H new ATOM 0 HA GLN A 19 5.951 0.681 7.223 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.396 3.111 9.008 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.716 2.201 8.300 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.918 2.692 6.028 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.461 3.440 6.653 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.910 5.303 8.329 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.181 6.439 7.864 1.00 0.00 H new ATOM 280 N SER A 20 5.866 0.627 10.546 1.00 0.00 N ATOM 281 CA SER A 20 6.263 -0.158 11.711 1.00 0.00 C ATOM 282 C SER A 20 5.688 -1.575 11.657 1.00 0.00 C ATOM 283 O SER A 20 6.434 -2.538 11.821 1.00 0.00 O ATOM 284 CB SER A 20 5.888 0.568 13.007 1.00 0.00 C ATOM 285 OG SER A 20 4.501 0.816 13.066 1.00 0.00 O ATOM 0 H SER A 20 5.313 1.454 10.772 1.00 0.00 H new ATOM 0 HA SER A 20 7.348 -0.262 11.696 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.190 -0.033 13.865 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.432 1.510 13.070 1.00 0.00 H new ATOM 0 HG SER A 20 4.283 1.589 12.504 1.00 0.00 H new ATOM 291 N ILE A 21 4.376 -1.706 11.416 1.00 0.00 N ATOM 292 CA ILE A 21 3.701 -2.993 11.277 1.00 0.00 C ATOM 293 C ILE A 21 4.395 -3.814 10.190 1.00 0.00 C ATOM 294 O ILE A 21 4.813 -4.939 10.448 1.00 0.00 O ATOM 295 CB ILE A 21 2.203 -2.793 10.971 1.00 0.00 C ATOM 296 CG1 ILE A 21 1.487 -2.123 12.159 1.00 0.00 C ATOM 297 CG2 ILE A 21 1.521 -4.138 10.664 1.00 0.00 C ATOM 298 CD1 ILE A 21 0.140 -1.530 11.733 1.00 0.00 C ATOM 0 H ILE A 21 3.750 -0.907 11.312 1.00 0.00 H new ATOM 0 HA ILE A 21 3.765 -3.541 12.217 1.00 0.00 H new ATOM 0 HB ILE A 21 2.131 -2.147 10.096 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.331 -2.854 12.952 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.119 -1.337 12.571 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.465 -3.970 10.451 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.997 -4.598 9.798 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.617 -4.800 11.525 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.341 -1.064 12.593 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.301 -0.781 10.958 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.500 -2.322 11.344 1.00 0.00 H new ATOM 310 N GLU A 22 4.519 -3.248 8.984 1.00 0.00 N ATOM 311 CA GLU A 22 5.109 -3.928 7.840 1.00 0.00 C ATOM 312 C GLU A 22 6.519 -4.435 8.169 1.00 0.00 C ATOM 313 O GLU A 22 6.824 -5.603 7.937 1.00 0.00 O ATOM 314 CB GLU A 22 5.090 -2.982 6.631 1.00 0.00 C ATOM 315 CG GLU A 22 5.392 -3.723 5.327 1.00 0.00 C ATOM 316 CD GLU A 22 5.141 -2.825 4.119 1.00 0.00 C ATOM 317 OE1 GLU A 22 3.984 -2.820 3.644 1.00 0.00 O ATOM 318 OE2 GLU A 22 6.109 -2.155 3.695 1.00 0.00 O ATOM 0 H GLU A 22 4.209 -2.298 8.780 1.00 0.00 H new ATOM 0 HA GLU A 22 4.521 -4.811 7.590 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.114 -2.503 6.559 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.824 -2.190 6.778 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.429 -4.058 5.327 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.769 -4.615 5.258 1.00 0.00 H new ATOM 325 N GLY A 23 7.362 -3.559 8.725 1.00 0.00 N ATOM 326 CA GLY A 23 8.738 -3.855 9.093 1.00 0.00 C ATOM 327 C GLY A 23 8.836 -4.993 10.108 1.00 0.00 C ATOM 328 O GLY A 23 9.588 -5.940 9.894 1.00 0.00 O ATOM 0 H GLY A 23 7.092 -2.598 8.935 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.302 -4.120 8.199 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.201 -2.960 9.508 1.00 0.00 H new ATOM 332 N VAL A 24 8.086 -4.909 11.212 1.00 0.00 N ATOM 333 CA VAL A 24 8.110 -5.919 12.263 1.00 0.00 C ATOM 334 C VAL A 24 7.627 -7.266 11.717 1.00 0.00 C ATOM 335 O VAL A 24 8.328 -8.268 11.846 1.00 0.00 O ATOM 336 CB VAL A 24 7.284 -5.440 13.471 1.00 0.00 C ATOM 337 CG1 VAL A 24 7.073 -6.561 14.499 1.00 0.00 C ATOM 338 CG2 VAL A 24 8.002 -4.277 14.170 1.00 0.00 C ATOM 0 H VAL A 24 7.446 -4.136 11.397 1.00 0.00 H new ATOM 0 HA VAL A 24 9.133 -6.066 12.608 1.00 0.00 H new ATOM 0 HB VAL A 24 6.313 -5.122 13.090 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.486 -6.182 15.335 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.543 -7.390 14.030 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.040 -6.908 14.863 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.411 -3.944 15.023 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.982 -4.609 14.514 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.124 -3.451 13.469 1.00 0.00 H new ATOM 348 N ILE A 25 6.433 -7.290 11.113 1.00 0.00 N ATOM 349 CA ILE A 25 5.796 -8.518 10.661 1.00 0.00 C ATOM 350 C ILE A 25 6.606 -9.200 9.551 1.00 0.00 C ATOM 351 O ILE A 25 6.701 -10.426 9.552 1.00 0.00 O ATOM 352 CB ILE A 25 4.327 -8.256 10.281 1.00 0.00 C ATOM 353 CG1 ILE A 25 3.497 -7.709 11.463 1.00 0.00 C ATOM 354 CG2 ILE A 25 3.665 -9.525 9.722 1.00 0.00 C ATOM 355 CD1 ILE A 25 3.309 -8.676 12.638 1.00 0.00 C ATOM 0 H ILE A 25 5.885 -6.451 10.926 1.00 0.00 H new ATOM 0 HA ILE A 25 5.781 -9.230 11.486 1.00 0.00 H new ATOM 0 HB ILE A 25 4.344 -7.489 9.506 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.977 -6.803 11.833 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.514 -7.420 11.092 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.628 -9.310 9.462 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.202 -9.853 8.832 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.695 -10.313 10.475 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.713 -8.195 13.413 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.797 -9.574 12.292 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.283 -8.948 13.045 1.00 0.00 H new ATOM 367 N SER A 26 7.206 -8.436 8.624 1.00 0.00 N ATOM 368 CA SER A 26 8.037 -8.992 7.554 1.00 0.00 C ATOM 369 C SER A 26 9.155 -9.900 8.083 1.00 0.00 C ATOM 370 O SER A 26 9.538 -10.853 7.408 1.00 0.00 O ATOM 371 CB SER A 26 8.623 -7.883 6.671 1.00 0.00 C ATOM 372 OG SER A 26 9.533 -7.075 7.385 1.00 0.00 O ATOM 0 H SER A 26 7.127 -7.419 8.599 1.00 0.00 H new ATOM 0 HA SER A 26 7.377 -9.612 6.947 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.127 -8.329 5.813 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.816 -7.264 6.280 1.00 0.00 H new ATOM 0 HG SER A 26 9.169 -6.879 8.274 1.00 0.00 H new ATOM 378 N LYS A 27 9.672 -9.605 9.283 1.00 0.00 N ATOM 379 CA LYS A 27 10.809 -10.298 9.874 1.00 0.00 C ATOM 380 C LYS A 27 10.383 -11.512 10.712 1.00 0.00 C ATOM 381 O LYS A 27 11.251 -12.228 11.209 1.00 0.00 O ATOM 382 CB LYS A 27 11.608 -9.303 10.728 1.00 0.00 C ATOM 383 CG LYS A 27 12.200 -8.177 9.869 1.00 0.00 C ATOM 384 CD LYS A 27 12.852 -7.114 10.759 1.00 0.00 C ATOM 385 CE LYS A 27 13.472 -5.981 9.933 1.00 0.00 C ATOM 386 NZ LYS A 27 12.459 -5.244 9.157 1.00 0.00 N ATOM 0 H LYS A 27 9.300 -8.863 9.876 1.00 0.00 H new ATOM 0 HA LYS A 27 11.432 -10.684 9.067 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.960 -8.876 11.494 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.411 -9.828 11.246 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.939 -8.586 9.180 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.416 -7.722 9.263 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.106 -6.702 11.439 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.622 -7.578 11.375 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.992 -5.291 10.597 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.218 -6.394 9.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.590 -5.437 8.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.509 -5.550 9.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.563 -4.224 9.331 1.00 0.00 H new ATOM 400 N LYS A 28 9.076 -11.763 10.878 1.00 0.00 N ATOM 401 CA LYS A 28 8.596 -12.906 11.646 1.00 0.00 C ATOM 402 C LYS A 28 8.850 -14.200 10.859 1.00 0.00 C ATOM 403 O LYS A 28 8.717 -14.189 9.635 1.00 0.00 O ATOM 404 CB LYS A 28 7.101 -12.757 11.956 1.00 0.00 C ATOM 405 CG LYS A 28 6.778 -11.529 12.818 1.00 0.00 C ATOM 406 CD LYS A 28 7.196 -11.697 14.284 1.00 0.00 C ATOM 407 CE LYS A 28 6.825 -10.437 15.071 1.00 0.00 C ATOM 408 NZ LYS A 28 7.202 -10.558 16.488 1.00 0.00 N ATOM 0 H LYS A 28 8.334 -11.183 10.486 1.00 0.00 H new ATOM 0 HA LYS A 28 9.138 -12.949 12.591 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.548 -12.690 11.019 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.752 -13.654 12.469 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.281 -10.657 12.401 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.707 -11.332 12.772 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.702 -12.567 14.716 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.269 -11.876 14.349 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.324 -9.573 14.633 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.752 -10.260 14.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.937 -9.688 16.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.707 -11.369 16.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.229 -10.703 16.563 1.00 0.00 H new ATOM 422 N PRO A 29 9.205 -15.313 11.531 1.00 0.00 N ATOM 423 CA PRO A 29 9.405 -16.612 10.903 1.00 0.00 C ATOM 424 C PRO A 29 8.276 -16.981 9.940 1.00 0.00 C ATOM 425 O PRO A 29 7.103 -16.915 10.304 1.00 0.00 O ATOM 426 CB PRO A 29 9.492 -17.620 12.053 1.00 0.00 C ATOM 427 CG PRO A 29 10.093 -16.787 13.181 1.00 0.00 C ATOM 428 CD PRO A 29 9.464 -15.410 12.961 1.00 0.00 C ATOM 0 HA PRO A 29 10.309 -16.604 10.294 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.512 -18.016 12.320 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.122 -18.472 11.798 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.843 -17.194 14.161 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.181 -16.749 13.120 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.542 -15.306 13.533 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.135 -14.617 13.291 1.00 0.00 H new ATOM 436 N GLY A 30 8.637 -17.359 8.709 1.00 0.00 N ATOM 437 CA GLY A 30 7.691 -17.794 7.697 1.00 0.00 C ATOM 438 C GLY A 30 7.239 -16.673 6.770 1.00 0.00 C ATOM 439 O GLY A 30 6.934 -16.953 5.612 1.00 0.00 O ATOM 0 H GLY A 30 9.606 -17.369 8.392 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.145 -18.586 7.102 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.818 -18.224 8.187 1.00 0.00 H new ATOM 443 N VAL A 31 7.178 -15.423 7.253 1.00 0.00 N ATOM 444 CA VAL A 31 6.689 -14.305 6.458 1.00 0.00 C ATOM 445 C VAL A 31 7.688 -13.983 5.346 1.00 0.00 C ATOM 446 O VAL A 31 8.865 -13.752 5.617 1.00 0.00 O ATOM 447 CB VAL A 31 6.398 -13.076 7.335 1.00 0.00 C ATOM 448 CG1 VAL A 31 5.829 -11.937 6.478 1.00 0.00 C ATOM 449 CG2 VAL A 31 5.370 -13.429 8.416 1.00 0.00 C ATOM 0 H VAL A 31 7.465 -15.168 8.198 1.00 0.00 H new ATOM 0 HA VAL A 31 5.743 -14.591 5.998 1.00 0.00 H new ATOM 0 HB VAL A 31 7.332 -12.761 7.799 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.627 -11.072 7.110 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.552 -11.664 5.709 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.903 -12.265 6.005 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.172 -12.551 9.031 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.444 -13.758 7.944 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.762 -14.230 9.043 1.00 0.00 H new ATOM 459 N LYS A 32 7.200 -13.968 4.100 1.00 0.00 N ATOM 460 CA LYS A 32 7.964 -13.597 2.921 1.00 0.00 C ATOM 461 C LYS A 32 7.686 -12.119 2.631 1.00 0.00 C ATOM 462 O LYS A 32 8.226 -11.255 3.321 1.00 0.00 O ATOM 463 CB LYS A 32 7.599 -14.529 1.755 1.00 0.00 C ATOM 464 CG LYS A 32 8.077 -15.965 2.007 1.00 0.00 C ATOM 465 CD LYS A 32 7.609 -16.936 0.914 1.00 0.00 C ATOM 466 CE LYS A 32 8.194 -16.609 -0.465 1.00 0.00 C ATOM 467 NZ LYS A 32 7.788 -17.608 -1.467 1.00 0.00 N ATOM 0 H LYS A 32 6.235 -14.222 3.887 1.00 0.00 H new ATOM 0 HA LYS A 32 9.037 -13.714 3.076 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.519 -14.525 1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.046 -14.153 0.835 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.166 -15.979 2.060 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.706 -16.304 2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.892 -17.951 1.192 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.521 -16.913 0.856 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.861 -15.620 -0.779 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.282 -16.574 -0.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.199 -17.361 -2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.127 -18.548 -1.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.751 -17.622 -1.542 1.00 0.00 H new ATOM 481 N SER A 33 6.846 -11.819 1.631 1.00 0.00 N ATOM 482 CA SER A 33 6.438 -10.459 1.307 1.00 0.00 C ATOM 483 C SER A 33 5.227 -10.055 2.151 1.00 0.00 C ATOM 484 O SER A 33 4.469 -10.906 2.614 1.00 0.00 O ATOM 485 CB SER A 33 6.140 -10.347 -0.192 1.00 0.00 C ATOM 486 OG SER A 33 5.079 -11.199 -0.573 1.00 0.00 O ATOM 0 H SER A 33 6.431 -12.525 1.023 1.00 0.00 H new ATOM 0 HA SER A 33 7.251 -9.772 1.542 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.886 -9.316 -0.438 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.034 -10.600 -0.762 1.00 0.00 H new ATOM 0 HG SER A 33 5.405 -12.121 -0.633 1.00 0.00 H new ATOM 492 N ILE A 34 5.051 -8.744 2.349 1.00 0.00 N ATOM 493 CA ILE A 34 3.901 -8.174 3.030 1.00 0.00 C ATOM 494 C ILE A 34 3.631 -6.774 2.476 1.00 0.00 C ATOM 495 O ILE A 34 4.567 -6.014 2.233 1.00 0.00 O ATOM 496 CB ILE A 34 4.089 -8.200 4.561 1.00 0.00 C ATOM 497 CG1 ILE A 34 2.936 -7.439 5.240 1.00 0.00 C ATOM 498 CG2 ILE A 34 5.459 -7.654 4.988 1.00 0.00 C ATOM 499 CD1 ILE A 34 2.888 -7.634 6.757 1.00 0.00 C ATOM 0 H ILE A 34 5.721 -8.043 2.032 1.00 0.00 H new ATOM 0 HA ILE A 34 3.017 -8.781 2.836 1.00 0.00 H new ATOM 0 HB ILE A 34 4.063 -9.239 4.889 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.034 -6.376 5.021 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.990 -7.768 4.809 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.544 -7.693 6.074 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.247 -8.259 4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.560 -6.622 4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.052 -7.070 7.170 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.759 -8.692 6.984 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.819 -7.279 7.199 1.00 0.00 H new ATOM 511 N ARG A 35 2.346 -6.449 2.279 1.00 0.00 N ATOM 512 CA ARG A 35 1.885 -5.163 1.774 1.00 0.00 C ATOM 513 C ARG A 35 0.806 -4.624 2.713 1.00 0.00 C ATOM 514 O ARG A 35 -0.330 -5.094 2.672 1.00 0.00 O ATOM 515 CB ARG A 35 1.335 -5.335 0.352 1.00 0.00 C ATOM 516 CG ARG A 35 2.436 -5.730 -0.641 1.00 0.00 C ATOM 517 CD ARG A 35 1.855 -5.983 -2.035 1.00 0.00 C ATOM 518 NE ARG A 35 1.224 -4.776 -2.584 1.00 0.00 N ATOM 519 CZ ARG A 35 0.552 -4.726 -3.745 1.00 0.00 C ATOM 520 NH1 ARG A 35 0.417 -5.818 -4.509 1.00 0.00 N ATOM 521 NH2 ARG A 35 0.011 -3.567 -4.145 1.00 0.00 N ATOM 0 H ARG A 35 1.583 -7.097 2.474 1.00 0.00 H new ATOM 0 HA ARG A 35 2.711 -4.453 1.736 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.556 -6.098 0.353 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.869 -4.404 0.027 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.184 -4.939 -0.693 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.945 -6.627 -0.287 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.647 -6.317 -2.705 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.121 -6.787 -1.984 1.00 0.00 H new ATOM 0 HE ARG A 35 1.302 -3.914 -2.045 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.828 -6.703 -4.211 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.096 -5.765 -5.389 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.111 -2.731 -3.569 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.501 -3.520 -5.026 1.00 0.00 H new ATOM 535 N VAL A 36 1.163 -3.641 3.549 1.00 0.00 N ATOM 536 CA VAL A 36 0.241 -2.968 4.456 1.00 0.00 C ATOM 537 C VAL A 36 -0.303 -1.715 3.765 1.00 0.00 C ATOM 538 O VAL A 36 0.473 -0.847 3.368 1.00 0.00 O ATOM 539 CB VAL A 36 0.936 -2.639 5.789 1.00 0.00 C ATOM 540 CG1 VAL A 36 -0.061 -2.019 6.779 1.00 0.00 C ATOM 541 CG2 VAL A 36 1.518 -3.905 6.431 1.00 0.00 C ATOM 0 H VAL A 36 2.118 -3.289 3.611 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.596 -3.624 4.694 1.00 0.00 H new ATOM 0 HB VAL A 36 1.737 -1.933 5.570 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.449 -1.793 7.716 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.469 -1.100 6.357 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.872 -2.723 6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.004 -3.646 7.372 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.716 -4.618 6.621 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.248 -4.352 5.757 1.00 0.00 H new ATOM 551 N SER A 37 -1.633 -1.632 3.626 1.00 0.00 N ATOM 552 CA SER A 37 -2.338 -0.523 2.997 1.00 0.00 C ATOM 553 C SER A 37 -3.259 0.146 4.015 1.00 0.00 C ATOM 554 O SER A 37 -4.117 -0.511 4.602 1.00 0.00 O ATOM 555 CB SER A 37 -3.151 -1.044 1.807 1.00 0.00 C ATOM 556 OG SER A 37 -3.921 -0.003 1.239 1.00 0.00 O ATOM 0 H SER A 37 -2.262 -2.362 3.961 1.00 0.00 H new ATOM 0 HA SER A 37 -1.617 0.213 2.640 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.480 -1.460 1.055 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.806 -1.852 2.132 1.00 0.00 H new ATOM 0 HG SER A 37 -3.556 0.232 0.360 1.00 0.00 H new ATOM 562 N LEU A 38 -3.088 1.461 4.198 1.00 0.00 N ATOM 563 CA LEU A 38 -3.972 2.300 4.996 1.00 0.00 C ATOM 564 C LEU A 38 -5.304 2.474 4.268 1.00 0.00 C ATOM 565 O LEU A 38 -6.360 2.313 4.877 1.00 0.00 O ATOM 566 CB LEU A 38 -3.273 3.638 5.267 1.00 0.00 C ATOM 567 CG LEU A 38 -3.985 4.518 6.310 1.00 0.00 C ATOM 568 CD1 LEU A 38 -2.948 5.449 6.945 1.00 0.00 C ATOM 569 CD2 LEU A 38 -5.099 5.383 5.704 1.00 0.00 C ATOM 0 H LEU A 38 -2.312 1.977 3.783 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.188 1.834 5.958 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.256 3.442 5.606 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.196 4.192 4.331 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.445 3.852 7.040 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.434 6.082 7.688 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.172 4.854 7.426 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.500 6.075 6.173 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.563 5.981 6.489 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.676 6.043 4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.850 4.740 5.245 1.00 0.00 H new ATOM 581 N ALA A 39 -5.248 2.788 2.967 1.00 0.00 N ATOM 582 CA ALA A 39 -6.410 2.995 2.112 1.00 0.00 C ATOM 583 C ALA A 39 -7.411 1.842 2.225 1.00 0.00 C ATOM 584 O ALA A 39 -8.605 2.080 2.396 1.00 0.00 O ATOM 585 CB ALA A 39 -5.951 3.176 0.662 1.00 0.00 C ATOM 0 H ALA A 39 -4.364 2.907 2.472 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.924 3.897 2.444 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.820 3.331 0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.292 4.041 0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.415 2.285 0.336 1.00 0.00 H new ATOM 591 N ASN A 40 -6.918 0.599 2.147 1.00 0.00 N ATOM 592 CA ASN A 40 -7.738 -0.600 2.288 1.00 0.00 C ATOM 593 C ASN A 40 -7.832 -1.057 3.751 1.00 0.00 C ATOM 594 O ASN A 40 -8.620 -1.953 4.050 1.00 0.00 O ATOM 595 CB ASN A 40 -7.167 -1.719 1.411 1.00 0.00 C ATOM 596 CG ASN A 40 -7.196 -1.360 -0.074 1.00 0.00 C ATOM 597 OD1 ASN A 40 -8.171 -1.644 -0.764 1.00 0.00 O ATOM 598 ND2 ASN A 40 -6.126 -0.739 -0.573 1.00 0.00 N ATOM 0 H ASN A 40 -5.931 0.401 1.983 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.749 -0.361 1.959 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.140 -1.927 1.713 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.738 -2.633 1.573 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.099 -0.483 -1.560 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.335 -0.520 0.033 1.00 0.00 H new ATOM 605 N SER A 41 -7.046 -0.452 4.655 1.00 0.00 N ATOM 606 CA SER A 41 -6.986 -0.765 6.078 1.00 0.00 C ATOM 607 C SER A 41 -6.765 -2.260 6.293 1.00 0.00 C ATOM 608 O SER A 41 -7.550 -2.920 6.973 1.00 0.00 O ATOM 609 CB SER A 41 -8.231 -0.229 6.799 1.00 0.00 C ATOM 610 OG SER A 41 -8.247 1.182 6.740 1.00 0.00 O ATOM 0 H SER A 41 -6.409 0.301 4.395 1.00 0.00 H new ATOM 0 HA SER A 41 -6.128 -0.261 6.521 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.132 -0.632 6.336 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.231 -0.559 7.838 1.00 0.00 H new ATOM 0 HG SER A 41 -7.570 1.490 6.102 1.00 0.00 H new ATOM 616 N ASN A 42 -5.692 -2.791 5.696 1.00 0.00 N ATOM 617 CA ASN A 42 -5.390 -4.212 5.729 1.00 0.00 C ATOM 618 C ASN A 42 -3.903 -4.479 5.522 1.00 0.00 C ATOM 619 O ASN A 42 -3.138 -3.581 5.179 1.00 0.00 O ATOM 620 CB ASN A 42 -6.279 -4.976 4.728 1.00 0.00 C ATOM 621 CG ASN A 42 -5.996 -4.672 3.256 1.00 0.00 C ATOM 622 OD1 ASN A 42 -5.055 -3.962 2.913 1.00 0.00 O ATOM 623 ND2 ASN A 42 -6.826 -5.225 2.370 1.00 0.00 N ATOM 0 H ASN A 42 -5.011 -2.238 5.176 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.625 -4.590 6.724 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.152 -6.046 4.894 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.323 -4.742 4.939 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.689 -5.063 1.372 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.598 -5.810 2.690 1.00 0.00 H new ATOM 630 N GLY A 43 -3.523 -5.741 5.739 1.00 0.00 N ATOM 631 CA GLY A 43 -2.205 -6.289 5.511 1.00 0.00 C ATOM 632 C GLY A 43 -2.369 -7.559 4.689 1.00 0.00 C ATOM 633 O GLY A 43 -3.006 -8.507 5.147 1.00 0.00 O ATOM 0 H GLY A 43 -4.173 -6.439 6.100 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.578 -5.570 4.984 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.712 -6.507 6.458 1.00 0.00 H new ATOM 637 N THR A 44 -1.791 -7.570 3.485 1.00 0.00 N ATOM 638 CA THR A 44 -1.792 -8.714 2.588 1.00 0.00 C ATOM 639 C THR A 44 -0.440 -9.392 2.772 1.00 0.00 C ATOM 640 O THR A 44 0.567 -8.920 2.247 1.00 0.00 O ATOM 641 CB THR A 44 -2.030 -8.240 1.147 1.00 0.00 C ATOM 642 OG1 THR A 44 -3.282 -7.588 1.080 1.00 0.00 O ATOM 643 CG2 THR A 44 -2.026 -9.414 0.162 1.00 0.00 C ATOM 0 H THR A 44 -1.299 -6.762 3.104 1.00 0.00 H new ATOM 0 HA THR A 44 -2.591 -9.423 2.807 1.00 0.00 H new ATOM 0 HB THR A 44 -1.223 -7.561 0.872 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.442 -7.280 0.163 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.197 -9.042 -0.848 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.062 -9.921 0.204 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.816 -10.116 0.429 1.00 0.00 H new ATOM 651 N VAL A 45 -0.433 -10.478 3.555 1.00 0.00 N ATOM 652 CA VAL A 45 0.769 -11.144 4.031 1.00 0.00 C ATOM 653 C VAL A 45 0.959 -12.462 3.284 1.00 0.00 C ATOM 654 O VAL A 45 0.037 -13.275 3.240 1.00 0.00 O ATOM 655 CB VAL A 45 0.660 -11.406 5.547 1.00 0.00 C ATOM 656 CG1 VAL A 45 2.035 -11.796 6.106 1.00 0.00 C ATOM 657 CG2 VAL A 45 0.125 -10.191 6.318 1.00 0.00 C ATOM 0 H VAL A 45 -1.291 -10.924 3.880 1.00 0.00 H new ATOM 0 HA VAL A 45 1.631 -10.503 3.845 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.052 -12.220 5.681 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.953 -11.980 7.177 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.387 -12.700 5.608 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.742 -10.986 5.930 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.068 -10.430 7.380 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.795 -9.344 6.172 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.869 -9.935 5.950 1.00 0.00 H new ATOM 667 N GLU A 46 2.155 -12.673 2.722 1.00 0.00 N ATOM 668 CA GLU A 46 2.593 -13.949 2.175 1.00 0.00 C ATOM 669 C GLU A 46 3.415 -14.637 3.262 1.00 0.00 C ATOM 670 O GLU A 46 4.297 -14.009 3.844 1.00 0.00 O ATOM 671 CB GLU A 46 3.427 -13.720 0.910 1.00 0.00 C ATOM 672 CG GLU A 46 3.854 -15.049 0.270 1.00 0.00 C ATOM 673 CD GLU A 46 4.718 -14.837 -0.971 1.00 0.00 C ATOM 674 OE1 GLU A 46 5.620 -13.973 -0.901 1.00 0.00 O ATOM 675 OE2 GLU A 46 4.466 -15.549 -1.967 1.00 0.00 O ATOM 0 H GLU A 46 2.858 -11.939 2.636 1.00 0.00 H new ATOM 0 HA GLU A 46 1.745 -14.573 1.891 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.849 -13.138 0.192 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.312 -13.133 1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.407 -15.641 0.999 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.967 -15.623 0.000 1.00 0.00 H new ATOM 682 N TYR A 47 3.117 -15.909 3.550 1.00 0.00 N ATOM 683 CA TYR A 47 3.692 -16.621 4.680 1.00 0.00 C ATOM 684 C TYR A 47 3.806 -18.120 4.410 1.00 0.00 C ATOM 685 O TYR A 47 3.158 -18.641 3.504 1.00 0.00 O ATOM 686 CB TYR A 47 2.843 -16.360 5.931 1.00 0.00 C ATOM 687 CG TYR A 47 1.487 -17.043 5.908 1.00 0.00 C ATOM 688 CD1 TYR A 47 0.458 -16.534 5.094 1.00 0.00 C ATOM 689 CD2 TYR A 47 1.300 -18.265 6.581 1.00 0.00 C ATOM 690 CE1 TYR A 47 -0.737 -17.256 4.932 1.00 0.00 C ATOM 691 CE2 TYR A 47 0.094 -18.973 6.438 1.00 0.00 C ATOM 692 CZ TYR A 47 -0.919 -18.475 5.603 1.00 0.00 C ATOM 693 OH TYR A 47 -2.077 -19.179 5.444 1.00 0.00 O ATOM 0 H TYR A 47 2.467 -16.469 2.999 1.00 0.00 H new ATOM 0 HA TYR A 47 4.704 -16.249 4.840 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.394 -16.697 6.809 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.696 -15.286 6.041 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.587 -15.586 4.593 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.085 -18.660 7.209 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.516 -16.872 4.290 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.053 -19.901 6.971 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.037 -19.999 5.979 1.00 0.00 H new ATOM 703 N ASP A 48 4.622 -18.803 5.224 1.00 0.00 N ATOM 704 CA ASP A 48 4.770 -20.252 5.232 1.00 0.00 C ATOM 705 C ASP A 48 3.886 -20.849 6.339 1.00 0.00 C ATOM 706 O ASP A 48 4.174 -20.617 7.513 1.00 0.00 O ATOM 707 CB ASP A 48 6.248 -20.599 5.466 1.00 0.00 C ATOM 708 CG ASP A 48 6.544 -22.101 5.497 1.00 0.00 C ATOM 709 OD1 ASP A 48 5.607 -22.898 5.274 1.00 0.00 O ATOM 710 OD2 ASP A 48 7.723 -22.431 5.751 1.00 0.00 O ATOM 0 H ASP A 48 5.213 -18.341 5.915 1.00 0.00 H new ATOM 0 HA ASP A 48 4.455 -20.671 4.276 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.846 -20.139 4.680 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.568 -20.158 6.410 1.00 0.00 H new ATOM 715 N PRO A 49 2.843 -21.630 5.993 1.00 0.00 N ATOM 716 CA PRO A 49 2.011 -22.380 6.932 1.00 0.00 C ATOM 717 C PRO A 49 2.787 -23.151 8.002 1.00 0.00 C ATOM 718 O PRO A 49 2.340 -23.239 9.144 1.00 0.00 O ATOM 719 CB PRO A 49 1.187 -23.342 6.074 1.00 0.00 C ATOM 720 CG PRO A 49 1.028 -22.567 4.772 1.00 0.00 C ATOM 721 CD PRO A 49 2.379 -21.872 4.636 1.00 0.00 C ATOM 0 HA PRO A 49 1.402 -21.679 7.503 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.700 -24.291 5.921 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.224 -23.570 6.531 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.824 -23.227 3.929 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.207 -21.852 4.823 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.085 -22.495 4.087 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.283 -20.937 4.084 1.00 0.00 H new ATOM 729 N LEU A 50 3.939 -23.721 7.630 1.00 0.00 N ATOM 730 CA LEU A 50 4.749 -24.549 8.514 1.00 0.00 C ATOM 731 C LEU A 50 5.302 -23.747 9.697 1.00 0.00 C ATOM 732 O LEU A 50 5.441 -24.296 10.789 1.00 0.00 O ATOM 733 CB LEU A 50 5.902 -25.187 7.722 1.00 0.00 C ATOM 734 CG LEU A 50 5.452 -26.019 6.506 1.00 0.00 C ATOM 735 CD1 LEU A 50 6.690 -26.476 5.726 1.00 0.00 C ATOM 736 CD2 LEU A 50 4.632 -27.245 6.924 1.00 0.00 C ATOM 0 H LEU A 50 4.334 -23.616 6.696 1.00 0.00 H new ATOM 0 HA LEU A 50 4.107 -25.332 8.919 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.572 -24.398 7.380 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.477 -25.826 8.392 1.00 0.00 H new ATOM 0 HG LEU A 50 4.816 -25.391 5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.379 -27.066 4.864 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.249 -25.604 5.387 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.323 -27.084 6.372 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.335 -27.804 6.037 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.235 -27.883 7.570 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.742 -26.921 7.464 1.00 0.00 H new ATOM 748 N LEU A 51 5.626 -22.465 9.479 1.00 0.00 N ATOM 749 CA LEU A 51 6.309 -21.617 10.450 1.00 0.00 C ATOM 750 C LEU A 51 5.357 -20.622 11.124 1.00 0.00 C ATOM 751 O LEU A 51 5.586 -20.262 12.277 1.00 0.00 O ATOM 752 CB LEU A 51 7.472 -20.894 9.758 1.00 0.00 C ATOM 753 CG LEU A 51 8.567 -21.847 9.243 1.00 0.00 C ATOM 754 CD1 LEU A 51 9.582 -21.053 8.414 1.00 0.00 C ATOM 755 CD2 LEU A 51 9.305 -22.555 10.386 1.00 0.00 C ATOM 0 H LEU A 51 5.414 -21.985 8.604 1.00 0.00 H new ATOM 0 HA LEU A 51 6.699 -22.251 11.246 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.083 -20.314 8.921 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.917 -20.186 10.457 1.00 0.00 H new ATOM 0 HG LEU A 51 8.079 -22.609 8.635 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.358 -21.725 8.048 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.076 -20.588 7.568 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.034 -20.280 9.036 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.067 -23.216 9.973 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.778 -21.813 11.029 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.595 -23.141 10.970 1.00 0.00 H new ATOM 767 N THR A 52 4.303 -20.175 10.431 1.00 0.00 N ATOM 768 CA THR A 52 3.322 -19.241 10.977 1.00 0.00 C ATOM 769 C THR A 52 1.961 -19.453 10.304 1.00 0.00 C ATOM 770 O THR A 52 1.825 -20.300 9.426 1.00 0.00 O ATOM 771 CB THR A 52 3.849 -17.799 10.858 1.00 0.00 C ATOM 772 OG1 THR A 52 3.031 -16.900 11.578 1.00 0.00 O ATOM 773 CG2 THR A 52 3.929 -17.327 9.406 1.00 0.00 C ATOM 0 H THR A 52 4.109 -20.455 9.470 1.00 0.00 H new ATOM 0 HA THR A 52 3.171 -19.430 12.040 1.00 0.00 H new ATOM 0 HB THR A 52 4.855 -17.809 11.278 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.386 -15.991 11.489 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.306 -16.305 9.376 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.602 -17.978 8.848 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.936 -17.361 8.957 1.00 0.00 H new ATOM 781 N SER A 53 0.953 -18.691 10.738 1.00 0.00 N ATOM 782 CA SER A 53 -0.441 -18.842 10.344 1.00 0.00 C ATOM 783 C SER A 53 -1.133 -17.473 10.370 1.00 0.00 C ATOM 784 O SER A 53 -0.628 -16.556 11.018 1.00 0.00 O ATOM 785 CB SER A 53 -1.123 -19.811 11.320 1.00 0.00 C ATOM 786 OG SER A 53 -1.233 -19.226 12.602 1.00 0.00 O ATOM 0 H SER A 53 1.096 -17.926 11.397 1.00 0.00 H new ATOM 0 HA SER A 53 -0.509 -19.242 9.332 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.113 -20.075 10.948 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.550 -20.736 11.384 1.00 0.00 H new ATOM 0 HG SER A 53 -0.453 -18.657 12.770 1.00 0.00 H new ATOM 792 N PRO A 54 -2.293 -17.313 9.707 1.00 0.00 N ATOM 793 CA PRO A 54 -3.088 -16.094 9.784 1.00 0.00 C ATOM 794 C PRO A 54 -3.394 -15.698 11.232 1.00 0.00 C ATOM 795 O PRO A 54 -3.379 -14.515 11.562 1.00 0.00 O ATOM 796 CB PRO A 54 -4.373 -16.382 8.999 1.00 0.00 C ATOM 797 CG PRO A 54 -3.961 -17.495 8.037 1.00 0.00 C ATOM 798 CD PRO A 54 -2.957 -18.292 8.863 1.00 0.00 C ATOM 0 HA PRO A 54 -2.544 -15.248 9.364 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.183 -16.699 9.656 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.723 -15.499 8.465 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.812 -18.105 7.734 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.513 -17.098 7.126 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.457 -19.053 9.462 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.242 -18.809 8.222 1.00 0.00 H new ATOM 806 N GLU A 55 -3.662 -16.692 12.087 1.00 0.00 N ATOM 807 CA GLU A 55 -4.001 -16.506 13.490 1.00 0.00 C ATOM 808 C GLU A 55 -2.830 -15.915 14.274 1.00 0.00 C ATOM 809 O GLU A 55 -3.016 -14.949 15.012 1.00 0.00 O ATOM 810 CB GLU A 55 -4.435 -17.844 14.102 1.00 0.00 C ATOM 811 CG GLU A 55 -5.656 -18.433 13.386 1.00 0.00 C ATOM 812 CD GLU A 55 -6.116 -19.714 14.073 1.00 0.00 C ATOM 813 OE1 GLU A 55 -6.954 -19.593 14.994 1.00 0.00 O ATOM 814 OE2 GLU A 55 -5.623 -20.788 13.668 1.00 0.00 O ATOM 0 H GLU A 55 -3.647 -17.673 11.807 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.828 -15.798 13.550 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.608 -18.552 14.050 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.667 -17.702 15.157 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.467 -17.705 13.381 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.408 -18.641 12.345 1.00 0.00 H new ATOM 821 N THR A 56 -1.627 -16.486 14.125 1.00 0.00 N ATOM 822 CA THR A 56 -0.432 -15.981 14.791 1.00 0.00 C ATOM 823 C THR A 56 -0.103 -14.560 14.329 1.00 0.00 C ATOM 824 O THR A 56 0.245 -13.714 15.151 1.00 0.00 O ATOM 825 CB THR A 56 0.762 -16.919 14.555 1.00 0.00 C ATOM 826 OG1 THR A 56 0.805 -17.356 13.218 1.00 0.00 O ATOM 827 CG2 THR A 56 0.694 -18.155 15.454 1.00 0.00 C ATOM 0 H THR A 56 -1.461 -17.306 13.542 1.00 0.00 H new ATOM 0 HA THR A 56 -0.635 -15.948 15.862 1.00 0.00 H new ATOM 0 HB THR A 56 1.657 -16.344 14.791 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.680 -17.142 12.832 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.555 -18.795 15.259 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.701 -17.846 16.499 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.223 -18.707 15.245 1.00 0.00 H new ATOM 835 N LEU A 57 -0.213 -14.298 13.022 1.00 0.00 N ATOM 836 CA LEU A 57 0.087 -12.998 12.437 1.00 0.00 C ATOM 837 C LEU A 57 -0.893 -11.944 12.952 1.00 0.00 C ATOM 838 O LEU A 57 -0.471 -10.875 13.390 1.00 0.00 O ATOM 839 CB LEU A 57 0.068 -13.109 10.907 1.00 0.00 C ATOM 840 CG LEU A 57 1.193 -14.023 10.385 1.00 0.00 C ATOM 841 CD1 LEU A 57 0.880 -14.461 8.949 1.00 0.00 C ATOM 842 CD2 LEU A 57 2.553 -13.318 10.409 1.00 0.00 C ATOM 0 H LEU A 57 -0.516 -14.992 12.339 1.00 0.00 H new ATOM 0 HA LEU A 57 1.085 -12.678 12.738 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.897 -13.499 10.583 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.174 -12.116 10.469 1.00 0.00 H new ATOM 0 HG LEU A 57 1.246 -14.891 11.043 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.678 -15.107 8.584 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.064 -15.005 8.932 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.803 -13.582 8.309 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.320 -13.995 10.034 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.513 -12.429 9.779 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.794 -13.027 11.431 1.00 0.00 H new ATOM 854 N ARG A 58 -2.195 -12.258 12.928 1.00 0.00 N ATOM 855 CA ARG A 58 -3.241 -11.454 13.542 1.00 0.00 C ATOM 856 C ARG A 58 -2.892 -11.158 15.003 1.00 0.00 C ATOM 857 O ARG A 58 -2.970 -10.009 15.430 1.00 0.00 O ATOM 858 CB ARG A 58 -4.579 -12.195 13.420 1.00 0.00 C ATOM 859 CG ARG A 58 -5.716 -11.486 14.166 1.00 0.00 C ATOM 860 CD ARG A 58 -7.064 -12.163 13.905 1.00 0.00 C ATOM 861 NE ARG A 58 -7.022 -13.606 14.180 1.00 0.00 N ATOM 862 CZ ARG A 58 -7.001 -14.169 15.400 1.00 0.00 C ATOM 863 NH1 ARG A 58 -7.035 -13.416 16.508 1.00 0.00 N ATOM 864 NH2 ARG A 58 -6.947 -15.502 15.510 1.00 0.00 N ATOM 0 H ARG A 58 -2.550 -13.097 12.470 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.326 -10.497 13.027 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.843 -12.289 12.367 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.467 -13.206 13.812 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.508 -11.488 15.236 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.764 -10.443 13.852 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.829 -11.698 14.527 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.355 -12.001 12.867 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.008 -14.234 13.376 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.078 -12.400 16.433 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.018 -13.859 17.427 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.922 -16.082 14.672 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.931 -15.937 16.432 1.00 0.00 H new ATOM 878 N GLY A 59 -2.497 -12.191 15.755 1.00 0.00 N ATOM 879 CA GLY A 59 -2.078 -12.081 17.144 1.00 0.00 C ATOM 880 C GLY A 59 -0.937 -11.079 17.327 1.00 0.00 C ATOM 881 O GLY A 59 -0.995 -10.247 18.228 1.00 0.00 O ATOM 0 H GLY A 59 -2.461 -13.147 15.400 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.928 -11.776 17.755 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.761 -13.060 17.504 1.00 0.00 H new ATOM 885 N ALA A 60 0.095 -11.154 16.478 1.00 0.00 N ATOM 886 CA ALA A 60 1.250 -10.267 16.531 1.00 0.00 C ATOM 887 C ALA A 60 0.841 -8.812 16.290 1.00 0.00 C ATOM 888 O ALA A 60 1.228 -7.928 17.051 1.00 0.00 O ATOM 889 CB ALA A 60 2.304 -10.724 15.520 1.00 0.00 C ATOM 0 H ALA A 60 0.146 -11.843 15.728 1.00 0.00 H new ATOM 0 HA ALA A 60 1.684 -10.318 17.530 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.165 -10.057 15.565 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.620 -11.740 15.758 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.879 -10.701 14.516 1.00 0.00 H new ATOM 895 N ILE A 61 0.054 -8.561 15.240 1.00 0.00 N ATOM 896 CA ILE A 61 -0.454 -7.233 14.907 1.00 0.00 C ATOM 897 C ILE A 61 -1.306 -6.690 16.063 1.00 0.00 C ATOM 898 O ILE A 61 -1.196 -5.519 16.425 1.00 0.00 O ATOM 899 CB ILE A 61 -1.240 -7.307 13.584 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.333 -7.732 12.413 1.00 0.00 C ATOM 901 CG2 ILE A 61 -1.863 -5.942 13.265 1.00 0.00 C ATOM 902 CD1 ILE A 61 -1.133 -8.330 11.251 1.00 0.00 C ATOM 0 H ILE A 61 -0.251 -9.286 14.591 1.00 0.00 H new ATOM 0 HA ILE A 61 0.373 -6.537 14.766 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.023 -8.055 13.707 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.229 -6.868 12.059 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.395 -8.463 12.766 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.416 -6.005 12.328 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.541 -5.655 14.069 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.075 -5.195 13.171 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.452 -8.615 10.449 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.674 -9.210 11.597 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.842 -7.591 10.879 1.00 0.00 H new ATOM 914 N GLU A 62 -2.151 -7.545 16.650 1.00 0.00 N ATOM 915 CA GLU A 62 -2.990 -7.195 17.784 1.00 0.00 C ATOM 916 C GLU A 62 -2.136 -6.843 19.005 1.00 0.00 C ATOM 917 O GLU A 62 -2.456 -5.899 19.724 1.00 0.00 O ATOM 918 CB GLU A 62 -3.971 -8.343 18.069 1.00 0.00 C ATOM 919 CG GLU A 62 -5.138 -7.910 18.964 1.00 0.00 C ATOM 920 CD GLU A 62 -6.027 -6.869 18.285 1.00 0.00 C ATOM 921 OE1 GLU A 62 -6.613 -7.216 17.235 1.00 0.00 O ATOM 922 OE2 GLU A 62 -6.102 -5.743 18.822 1.00 0.00 O ATOM 0 H GLU A 62 -2.267 -8.510 16.341 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.573 -6.305 17.546 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.363 -8.724 17.126 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.436 -9.164 18.547 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.737 -8.782 19.226 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.747 -7.500 19.896 1.00 0.00 H new ATOM 929 N ASP A 63 -1.047 -7.589 19.228 1.00 0.00 N ATOM 930 CA ASP A 63 -0.100 -7.346 20.307 1.00 0.00 C ATOM 931 C ASP A 63 0.595 -5.992 20.133 1.00 0.00 C ATOM 932 O ASP A 63 0.760 -5.270 21.114 1.00 0.00 O ATOM 933 CB ASP A 63 0.908 -8.498 20.389 1.00 0.00 C ATOM 934 CG ASP A 63 1.878 -8.312 21.552 1.00 0.00 C ATOM 935 OD1 ASP A 63 1.471 -8.634 22.690 1.00 0.00 O ATOM 936 OD2 ASP A 63 3.008 -7.848 21.285 1.00 0.00 O ATOM 0 H ASP A 63 -0.801 -8.392 18.649 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.643 -7.305 21.251 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.375 -9.441 20.506 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.466 -8.561 19.455 1.00 0.00 H new ATOM 941 N MET A 64 0.987 -5.639 18.898 1.00 0.00 N ATOM 942 CA MET A 64 1.518 -4.313 18.596 1.00 0.00 C ATOM 943 C MET A 64 0.493 -3.234 18.964 1.00 0.00 C ATOM 944 O MET A 64 0.862 -2.226 19.563 1.00 0.00 O ATOM 945 CB MET A 64 1.939 -4.194 17.126 1.00 0.00 C ATOM 946 CG MET A 64 3.171 -5.047 16.802 1.00 0.00 C ATOM 947 SD MET A 64 3.750 -4.918 15.087 1.00 0.00 S ATOM 948 CE MET A 64 4.394 -3.223 15.096 1.00 0.00 C ATOM 0 H MET A 64 0.943 -6.263 18.092 1.00 0.00 H new ATOM 0 HA MET A 64 2.413 -4.163 19.200 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.110 -4.500 16.487 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.152 -3.150 16.895 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.983 -4.757 17.469 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.941 -6.091 17.016 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.977 -3.051 14.191 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.563 -2.518 15.132 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.029 -3.080 15.970 1.00 0.00 H new ATOM 958 N GLY A 65 -0.784 -3.459 18.626 1.00 0.00 N ATOM 959 CA GLY A 65 -1.901 -2.645 19.088 1.00 0.00 C ATOM 960 C GLY A 65 -2.718 -2.089 17.930 1.00 0.00 C ATOM 961 O GLY A 65 -2.869 -0.874 17.813 1.00 0.00 O ATOM 0 H GLY A 65 -1.067 -4.225 18.015 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.545 -3.245 19.731 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.523 -1.821 19.694 1.00 0.00 H new ATOM 965 N PHE A 66 -3.254 -2.979 17.085 1.00 0.00 N ATOM 966 CA PHE A 66 -4.142 -2.626 15.985 1.00 0.00 C ATOM 967 C PHE A 66 -5.250 -3.668 15.890 1.00 0.00 C ATOM 968 O PHE A 66 -4.989 -4.851 16.098 1.00 0.00 O ATOM 969 CB PHE A 66 -3.355 -2.554 14.674 1.00 0.00 C ATOM 970 CG PHE A 66 -2.176 -1.609 14.723 1.00 0.00 C ATOM 971 CD1 PHE A 66 -2.408 -0.226 14.647 1.00 0.00 C ATOM 972 CD2 PHE A 66 -0.892 -2.091 15.042 1.00 0.00 C ATOM 973 CE1 PHE A 66 -1.362 0.677 14.901 1.00 0.00 C ATOM 974 CE2 PHE A 66 0.156 -1.186 15.286 1.00 0.00 C ATOM 975 CZ PHE A 66 -0.080 0.198 15.220 1.00 0.00 C ATOM 0 H PHE A 66 -3.076 -3.981 17.153 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.584 -1.646 16.168 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.999 -3.552 14.419 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.027 -2.242 13.874 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.391 0.143 14.393 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.712 -3.154 15.099 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.543 1.740 14.851 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.143 -1.554 15.524 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.724 0.893 15.414 1.00 0.00 H new ATOM 985 N ASP A 67 -6.476 -3.234 15.573 1.00 0.00 N ATOM 986 CA ASP A 67 -7.630 -4.116 15.472 1.00 0.00 C ATOM 987 C ASP A 67 -7.477 -5.015 14.244 1.00 0.00 C ATOM 988 O ASP A 67 -7.873 -4.638 13.142 1.00 0.00 O ATOM 989 CB ASP A 67 -8.913 -3.278 15.424 1.00 0.00 C ATOM 990 CG ASP A 67 -10.150 -4.138 15.172 1.00 0.00 C ATOM 991 OD1 ASP A 67 -10.369 -5.070 15.978 1.00 0.00 O ATOM 992 OD2 ASP A 67 -10.853 -3.852 14.179 1.00 0.00 O ATOM 0 H ASP A 67 -6.689 -2.255 15.380 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.694 -4.762 16.347 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.031 -2.741 16.365 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.827 -2.528 14.638 1.00 0.00 H new ATOM 997 N ALA A 68 -6.894 -6.200 14.456 1.00 0.00 N ATOM 998 CA ALA A 68 -6.558 -7.165 13.424 1.00 0.00 C ATOM 999 C ALA A 68 -7.629 -8.251 13.381 1.00 0.00 C ATOM 1000 O ALA A 68 -7.904 -8.886 14.398 1.00 0.00 O ATOM 1001 CB ALA A 68 -5.179 -7.751 13.726 1.00 0.00 C ATOM 0 H ALA A 68 -6.637 -6.518 15.390 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.523 -6.686 12.445 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.916 -8.477 12.957 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.439 -6.951 13.738 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.198 -8.243 14.699 1.00 0.00 H new ATOM 1007 N THR A 69 -8.235 -8.452 12.206 1.00 0.00 N ATOM 1008 CA THR A 69 -9.318 -9.400 11.983 1.00 0.00 C ATOM 1009 C THR A 69 -9.087 -10.110 10.648 1.00 0.00 C ATOM 1010 O THR A 69 -8.717 -9.467 9.668 1.00 0.00 O ATOM 1011 CB THR A 69 -10.667 -8.663 11.998 1.00 0.00 C ATOM 1012 OG1 THR A 69 -10.677 -7.621 11.043 1.00 0.00 O ATOM 1013 CG2 THR A 69 -10.982 -8.071 13.377 1.00 0.00 C ATOM 0 H THR A 69 -7.973 -7.942 11.363 1.00 0.00 H new ATOM 0 HA THR A 69 -9.337 -10.146 12.778 1.00 0.00 H new ATOM 0 HB THR A 69 -11.430 -9.402 11.753 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.544 -7.164 11.066 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.944 -7.559 13.342 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.023 -8.871 14.116 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.203 -7.361 13.655 1.00 0.00 H new ATOM 1021 N LEU A 70 -9.289 -11.433 10.602 1.00 0.00 N ATOM 1022 CA LEU A 70 -9.049 -12.223 9.401 1.00 0.00 C ATOM 1023 C LEU A 70 -10.077 -11.873 8.324 1.00 0.00 C ATOM 1024 O LEU A 70 -11.279 -11.927 8.581 1.00 0.00 O ATOM 1025 CB LEU A 70 -9.114 -13.726 9.713 1.00 0.00 C ATOM 1026 CG LEU A 70 -8.169 -14.189 10.834 1.00 0.00 C ATOM 1027 CD1 LEU A 70 -8.271 -15.710 10.994 1.00 0.00 C ATOM 1028 CD2 LEU A 70 -6.711 -13.810 10.552 1.00 0.00 C ATOM 0 H LEU A 70 -9.622 -11.979 11.397 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.050 -11.987 9.034 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.137 -13.982 9.989 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.880 -14.282 8.805 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.475 -13.686 11.751 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.601 -16.038 11.789 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.296 -15.981 11.248 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.989 -16.194 10.059 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.080 -14.157 11.370 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.387 -14.276 9.621 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.627 -12.727 10.464 1.00 0.00 H new ATOM 1040 N SER A 71 -9.596 -11.528 7.123 1.00 0.00 N ATOM 1041 CA SER A 71 -10.418 -11.286 5.944 1.00 0.00 C ATOM 1042 C SER A 71 -10.322 -12.471 4.978 1.00 0.00 C ATOM 1043 O SER A 71 -11.306 -12.794 4.318 1.00 0.00 O ATOM 1044 CB SER A 71 -9.963 -9.992 5.266 1.00 0.00 C ATOM 1045 OG SER A 71 -10.902 -9.585 4.293 1.00 0.00 O ATOM 0 H SER A 71 -8.599 -11.408 6.946 1.00 0.00 H new ATOM 0 HA SER A 71 -11.461 -11.180 6.243 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.841 -9.207 6.013 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.989 -10.142 4.799 1.00 0.00 H new ATOM 0 HG SER A 71 -10.596 -8.755 3.870 1.00 0.00 H new ATOM 1051 N ASP A 72 -9.133 -13.089 4.912 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.734 -14.179 4.031 1.00 0.00 C ATOM 1053 C ASP A 72 -8.303 -13.622 2.676 1.00 0.00 C ATOM 1054 O ASP A 72 -9.170 -13.043 1.986 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.797 -15.280 3.907 1.00 0.00 C ATOM 1056 CG ASP A 72 -9.220 -16.519 3.228 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -8.482 -17.255 3.920 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -9.525 -16.711 2.030 1.00 0.00 O ATOM 1059 OXT ASP A 72 -7.105 -13.780 2.359 1.00 0.00 O ATOM 0 H ASP A 72 -8.368 -12.811 5.527 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.877 -14.675 4.487 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.171 -15.543 4.896 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.646 -14.908 3.334 1.00 0.00 H new TER 1064 ASP A 72