USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 521 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 49 GLN : amide:sc= -0.184 X(o=-0.68,f=-0.4) USER MOD Set 1.2: A 62 ASN : amide:sc= -0.495 K(o=-0.68,f=-2.8!) USER MOD Set 2.1: A 32 CYS SG : rot -170:sc= -3.65! USER MOD Set 2.2: A 36 ASN : amide:sc= -0.01 K(o=-4.4,f=-3.6) USER MOD Set 2.3: A 43 CYS SG : rot 18:sc= -0.789 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0237 X(o=-0.024,f=-0.22) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 15 HIS : no HD1:sc= 0.216 K(o=0.22,f=-1.5) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 179:sc= 0.882 (180deg=0.882) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 148:sc= -2.37 (180deg=-3.21) USER MOD Single : A 35 GLN : amide:sc= -0.404 K(o=-0.4,f=-3.1!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -5.09! C(o=-5.1!,f=-4.1!) USER MOD Single : A 39 ASN : amide:sc= -0.578 X(o=-0.58,f=-1) USER MOD Single : A 44 CYS SG : rot 59:sc= 0.429 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 59:sc= 1.22 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 42:sc= 0.542 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.523 -8.752 -17.985 1.00 0.00 N ATOM 2 CA GLY A 1 -5.775 -8.752 -19.231 1.00 0.00 C ATOM 3 C GLY A 1 -4.604 -7.769 -19.167 1.00 0.00 C ATOM 4 O GLY A 1 -4.656 -6.696 -19.766 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.312 -9.426 -18.054 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.896 -9.031 -17.204 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.898 -7.799 -17.805 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.401 -9.755 -19.435 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.435 -8.484 -20.056 1.00 0.00 H new ATOM 8 N SER A 2 -3.575 -8.170 -18.435 1.00 0.00 N ATOM 9 CA SER A 2 -2.394 -7.338 -18.285 1.00 0.00 C ATOM 10 C SER A 2 -1.713 -7.147 -19.641 1.00 0.00 C ATOM 11 O SER A 2 -1.482 -8.114 -20.366 1.00 0.00 O ATOM 12 CB SER A 2 -1.414 -7.949 -17.281 1.00 0.00 C ATOM 13 OG SER A 2 -1.302 -7.162 -16.098 1.00 0.00 O ATOM 0 H SER A 2 -3.535 -9.061 -17.939 1.00 0.00 H new ATOM 0 HA SER A 2 -2.707 -6.366 -17.902 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.744 -8.954 -17.018 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.433 -8.047 -17.746 1.00 0.00 H new ATOM 0 HG SER A 2 -0.669 -7.586 -15.482 1.00 0.00 H new ATOM 19 N SER A 3 -1.411 -5.893 -19.944 1.00 0.00 N ATOM 20 CA SER A 3 -0.761 -5.562 -21.201 1.00 0.00 C ATOM 21 C SER A 3 0.723 -5.275 -20.964 1.00 0.00 C ATOM 22 O SER A 3 1.587 -5.936 -21.538 1.00 0.00 O ATOM 23 CB SER A 3 -1.434 -4.362 -21.870 1.00 0.00 C ATOM 24 OG SER A 3 -2.337 -4.760 -22.897 1.00 0.00 O ATOM 0 H SER A 3 -1.604 -5.094 -19.341 1.00 0.00 H new ATOM 0 HA SER A 3 -0.856 -6.417 -21.870 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.972 -3.783 -21.119 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.671 -3.707 -22.292 1.00 0.00 H new ATOM 0 HG SER A 3 -2.747 -3.965 -23.298 1.00 0.00 H new ATOM 30 N GLY A 4 0.973 -4.288 -20.115 1.00 0.00 N ATOM 31 CA GLY A 4 2.338 -3.905 -19.795 1.00 0.00 C ATOM 32 C GLY A 4 3.063 -5.030 -19.054 1.00 0.00 C ATOM 33 O GLY A 4 2.452 -6.034 -18.690 1.00 0.00 O ATOM 0 H GLY A 4 0.254 -3.743 -19.640 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.876 -3.663 -20.711 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.332 -3.005 -19.181 1.00 0.00 H new ATOM 37 N SER A 5 4.357 -4.825 -18.852 1.00 0.00 N ATOM 38 CA SER A 5 5.172 -5.810 -18.161 1.00 0.00 C ATOM 39 C SER A 5 5.519 -5.310 -16.758 1.00 0.00 C ATOM 40 O SER A 5 5.755 -4.119 -16.560 1.00 0.00 O ATOM 41 CB SER A 5 6.449 -6.116 -18.946 1.00 0.00 C ATOM 42 OG SER A 5 7.320 -4.990 -19.010 1.00 0.00 O ATOM 0 H SER A 5 4.861 -3.991 -19.155 1.00 0.00 H new ATOM 0 HA SER A 5 4.598 -6.733 -18.079 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.970 -6.951 -18.478 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.187 -6.429 -19.957 1.00 0.00 H new ATOM 0 HG SER A 5 8.124 -5.227 -19.518 1.00 0.00 H new ATOM 48 N SER A 6 5.538 -6.245 -15.819 1.00 0.00 N ATOM 49 CA SER A 6 5.852 -5.914 -14.439 1.00 0.00 C ATOM 50 C SER A 6 7.285 -5.386 -14.341 1.00 0.00 C ATOM 51 O SER A 6 8.214 -6.004 -14.858 1.00 0.00 O ATOM 52 CB SER A 6 5.669 -7.128 -13.526 1.00 0.00 C ATOM 53 OG SER A 6 4.295 -7.396 -13.264 1.00 0.00 O ATOM 0 H SER A 6 5.341 -7.232 -15.987 1.00 0.00 H new ATOM 0 HA SER A 6 5.162 -5.138 -14.108 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.127 -8.002 -13.989 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.191 -6.956 -12.585 1.00 0.00 H new ATOM 0 HG SER A 6 4.220 -8.179 -12.679 1.00 0.00 H new ATOM 59 N GLY A 7 7.419 -4.250 -13.673 1.00 0.00 N ATOM 60 CA GLY A 7 8.723 -3.633 -13.500 1.00 0.00 C ATOM 61 C GLY A 7 9.251 -3.855 -12.081 1.00 0.00 C ATOM 62 O GLY A 7 8.978 -4.886 -11.468 1.00 0.00 O ATOM 0 H GLY A 7 6.646 -3.741 -13.245 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.425 -4.050 -14.222 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.653 -2.564 -13.703 1.00 0.00 H new ATOM 66 N GLN A 8 9.997 -2.872 -11.601 1.00 0.00 N ATOM 67 CA GLN A 8 10.566 -2.948 -10.266 1.00 0.00 C ATOM 68 C GLN A 8 9.961 -1.866 -9.369 1.00 0.00 C ATOM 69 O GLN A 8 9.668 -0.764 -9.831 1.00 0.00 O ATOM 70 CB GLN A 8 12.091 -2.832 -10.312 1.00 0.00 C ATOM 71 CG GLN A 8 12.738 -4.198 -10.548 1.00 0.00 C ATOM 72 CD GLN A 8 13.785 -4.501 -9.474 1.00 0.00 C ATOM 73 OE1 GLN A 8 14.543 -3.644 -9.050 1.00 0.00 O ATOM 74 NE2 GLN A 8 13.785 -5.765 -9.059 1.00 0.00 N ATOM 0 H GLN A 8 10.221 -2.018 -12.112 1.00 0.00 H new ATOM 0 HA GLN A 8 10.321 -3.922 -9.843 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.383 -2.145 -11.106 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.456 -2.410 -9.376 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.972 -4.973 -10.543 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.205 -4.218 -11.533 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.123 -6.432 -9.456 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.447 -6.067 -8.344 1.00 0.00 H new ATOM 83 N ILE A 9 9.793 -2.218 -8.103 1.00 0.00 N ATOM 84 CA ILE A 9 9.228 -1.291 -7.137 1.00 0.00 C ATOM 85 C ILE A 9 9.829 0.099 -7.359 1.00 0.00 C ATOM 86 O ILE A 9 11.005 0.223 -7.698 1.00 0.00 O ATOM 87 CB ILE A 9 9.413 -1.821 -5.714 1.00 0.00 C ATOM 88 CG1 ILE A 9 8.289 -2.789 -5.339 1.00 0.00 C ATOM 89 CG2 ILE A 9 9.537 -0.671 -4.712 1.00 0.00 C ATOM 90 CD1 ILE A 9 6.984 -2.036 -5.071 1.00 0.00 C ATOM 0 H ILE A 9 10.038 -3.132 -7.724 1.00 0.00 H new ATOM 0 HA ILE A 9 8.151 -1.200 -7.281 1.00 0.00 H new ATOM 0 HB ILE A 9 10.347 -2.382 -5.677 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.139 -3.508 -6.145 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.574 -3.357 -4.453 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.668 -1.075 -3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.398 -0.055 -4.970 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.633 -0.062 -4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.201 -2.747 -4.807 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.130 -1.335 -4.249 1.00 0.00 H new ATOM 0 HD13 ILE A 9 6.689 -1.489 -5.966 1.00 0.00 H new ATOM 102 N ASP A 10 8.995 1.108 -7.157 1.00 0.00 N ATOM 103 CA ASP A 10 9.430 2.484 -7.331 1.00 0.00 C ATOM 104 C ASP A 10 9.458 3.181 -5.969 1.00 0.00 C ATOM 105 O ASP A 10 8.421 3.612 -5.467 1.00 0.00 O ATOM 106 CB ASP A 10 8.468 3.255 -8.237 1.00 0.00 C ATOM 107 CG ASP A 10 8.886 4.694 -8.548 1.00 0.00 C ATOM 108 OD1 ASP A 10 9.528 5.302 -7.665 1.00 0.00 O ATOM 109 OD2 ASP A 10 8.554 5.152 -9.663 1.00 0.00 O ATOM 0 H ASP A 10 8.021 1.001 -6.875 1.00 0.00 H new ATOM 0 HA ASP A 10 10.421 2.470 -7.786 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.363 2.712 -9.176 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.485 3.272 -7.767 1.00 0.00 H new ATOM 114 N PHE A 11 10.656 3.270 -5.410 1.00 0.00 N ATOM 115 CA PHE A 11 10.833 3.907 -4.116 1.00 0.00 C ATOM 116 C PHE A 11 10.292 5.338 -4.132 1.00 0.00 C ATOM 117 O PHE A 11 9.456 5.698 -3.304 1.00 0.00 O ATOM 118 CB PHE A 11 12.337 3.945 -3.839 1.00 0.00 C ATOM 119 CG PHE A 11 13.013 2.573 -3.881 1.00 0.00 C ATOM 120 CD1 PHE A 11 12.260 1.442 -3.816 1.00 0.00 C ATOM 121 CD2 PHE A 11 14.366 2.485 -3.983 1.00 0.00 C ATOM 122 CE1 PHE A 11 12.888 0.169 -3.856 1.00 0.00 C ATOM 123 CE2 PHE A 11 14.994 1.212 -4.022 1.00 0.00 C ATOM 124 CZ PHE A 11 14.241 0.080 -3.958 1.00 0.00 C ATOM 0 H PHE A 11 11.514 2.911 -5.830 1.00 0.00 H new ATOM 0 HA PHE A 11 10.292 3.351 -3.350 1.00 0.00 H new ATOM 0 HB2 PHE A 11 12.814 4.596 -4.571 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.504 4.391 -2.859 1.00 0.00 H new ATOM 0 HD1 PHE A 11 11.185 1.512 -3.734 1.00 0.00 H new ATOM 0 HD2 PHE A 11 14.963 3.383 -4.034 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.290 -0.729 -3.805 1.00 0.00 H new ATOM 0 HE2 PHE A 11 16.069 1.142 -4.102 1.00 0.00 H new ATOM 0 HZ PHE A 11 14.718 -0.889 -3.988 1.00 0.00 H new ATOM 134 N GLN A 12 10.792 6.115 -5.081 1.00 0.00 N ATOM 135 CA GLN A 12 10.370 7.499 -5.215 1.00 0.00 C ATOM 136 C GLN A 12 8.848 7.604 -5.090 1.00 0.00 C ATOM 137 O GLN A 12 8.335 8.552 -4.497 1.00 0.00 O ATOM 138 CB GLN A 12 10.853 8.094 -6.539 1.00 0.00 C ATOM 139 CG GLN A 12 10.791 9.623 -6.508 1.00 0.00 C ATOM 140 CD GLN A 12 11.113 10.212 -7.883 1.00 0.00 C ATOM 141 OE1 GLN A 12 11.466 9.514 -8.819 1.00 0.00 O ATOM 142 NE2 GLN A 12 10.971 11.533 -7.951 1.00 0.00 N ATOM 0 H GLN A 12 11.486 5.813 -5.765 1.00 0.00 H new ATOM 0 HA GLN A 12 10.823 8.076 -4.409 1.00 0.00 H new ATOM 0 HB2 GLN A 12 11.876 7.772 -6.735 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.238 7.718 -7.357 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.798 9.944 -6.194 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.497 10.004 -5.770 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.672 12.057 -7.129 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.161 12.022 -8.826 1.00 0.00 H new ATOM 151 N VAL A 13 8.170 6.618 -5.658 1.00 0.00 N ATOM 152 CA VAL A 13 6.718 6.587 -5.617 1.00 0.00 C ATOM 153 C VAL A 13 6.261 6.128 -4.231 1.00 0.00 C ATOM 154 O VAL A 13 5.248 6.603 -3.718 1.00 0.00 O ATOM 155 CB VAL A 13 6.181 5.706 -6.746 1.00 0.00 C ATOM 156 CG1 VAL A 13 4.674 5.486 -6.601 1.00 0.00 C ATOM 157 CG2 VAL A 13 6.519 6.302 -8.114 1.00 0.00 C ATOM 0 H VAL A 13 8.599 5.834 -6.149 1.00 0.00 H new ATOM 0 HA VAL A 13 6.310 7.585 -5.780 1.00 0.00 H new ATOM 0 HB VAL A 13 6.669 4.734 -6.674 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.318 4.856 -7.417 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.468 4.997 -5.649 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.161 6.447 -6.634 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.126 5.656 -8.899 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.071 7.292 -8.200 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.601 6.383 -8.218 1.00 0.00 H new ATOM 167 N LEU A 14 7.028 5.209 -3.664 1.00 0.00 N ATOM 168 CA LEU A 14 6.715 4.680 -2.348 1.00 0.00 C ATOM 169 C LEU A 14 6.860 5.792 -1.308 1.00 0.00 C ATOM 170 O LEU A 14 5.923 6.077 -0.563 1.00 0.00 O ATOM 171 CB LEU A 14 7.567 3.444 -2.050 1.00 0.00 C ATOM 172 CG LEU A 14 8.138 3.349 -0.634 1.00 0.00 C ATOM 173 CD1 LEU A 14 7.088 2.822 0.346 1.00 0.00 C ATOM 174 CD2 LEU A 14 9.415 2.507 -0.613 1.00 0.00 C ATOM 0 H LEU A 14 7.866 4.817 -4.093 1.00 0.00 H new ATOM 0 HA LEU A 14 5.680 4.341 -2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.962 2.557 -2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.396 3.419 -2.757 1.00 0.00 H new ATOM 0 HG LEU A 14 8.409 4.353 -0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.520 2.764 1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.232 3.496 0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.764 1.830 0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.800 2.456 0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.193 1.501 -0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.163 2.964 -1.261 1.00 0.00 H new ATOM 186 N HIS A 15 8.042 6.391 -1.290 1.00 0.00 N ATOM 187 CA HIS A 15 8.322 7.466 -0.353 1.00 0.00 C ATOM 188 C HIS A 15 7.117 8.405 -0.275 1.00 0.00 C ATOM 189 O HIS A 15 6.576 8.638 0.805 1.00 0.00 O ATOM 190 CB HIS A 15 9.616 8.191 -0.729 1.00 0.00 C ATOM 191 CG HIS A 15 10.305 8.862 0.435 1.00 0.00 C ATOM 192 ND1 HIS A 15 11.287 8.238 1.185 1.00 0.00 N ATOM 193 CD2 HIS A 15 10.144 10.106 0.969 1.00 0.00 C ATOM 194 CE1 HIS A 15 11.691 9.079 2.126 1.00 0.00 C ATOM 195 NE2 HIS A 15 10.982 10.236 1.990 1.00 0.00 N ATOM 0 H HIS A 15 8.817 6.152 -1.909 1.00 0.00 H new ATOM 0 HA HIS A 15 8.482 7.053 0.643 1.00 0.00 H new ATOM 0 HB2 HIS A 15 10.303 7.476 -1.181 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.393 8.941 -1.487 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.452 10.858 0.620 1.00 0.00 H new ATOM 0 HE1 HIS A 15 12.449 8.883 2.870 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.080 11.065 2.576 1.00 0.00 H new ATOM 203 N ASP A 16 6.732 8.919 -1.433 1.00 0.00 N ATOM 204 CA ASP A 16 5.601 9.828 -1.510 1.00 0.00 C ATOM 205 C ASP A 16 4.435 9.253 -0.703 1.00 0.00 C ATOM 206 O ASP A 16 3.718 9.991 -0.029 1.00 0.00 O ATOM 207 CB ASP A 16 5.133 10.006 -2.956 1.00 0.00 C ATOM 208 CG ASP A 16 4.192 11.188 -3.191 1.00 0.00 C ATOM 209 OD1 ASP A 16 3.203 11.286 -2.432 1.00 0.00 O ATOM 210 OD2 ASP A 16 4.481 11.968 -4.124 1.00 0.00 O ATOM 0 H ASP A 16 7.183 8.723 -2.327 1.00 0.00 H new ATOM 0 HA ASP A 16 5.917 10.793 -1.113 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.009 10.127 -3.593 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.631 9.093 -3.274 1.00 0.00 H new ATOM 215 N LEU A 17 4.281 7.941 -0.799 1.00 0.00 N ATOM 216 CA LEU A 17 3.214 7.259 -0.087 1.00 0.00 C ATOM 217 C LEU A 17 3.582 7.153 1.395 1.00 0.00 C ATOM 218 O LEU A 17 2.797 7.533 2.262 1.00 0.00 O ATOM 219 CB LEU A 17 2.909 5.910 -0.742 1.00 0.00 C ATOM 220 CG LEU A 17 2.564 5.952 -2.233 1.00 0.00 C ATOM 221 CD1 LEU A 17 2.826 4.597 -2.894 1.00 0.00 C ATOM 222 CD2 LEU A 17 1.126 6.427 -2.449 1.00 0.00 C ATOM 0 H LEU A 17 4.877 7.332 -1.359 1.00 0.00 H new ATOM 0 HA LEU A 17 2.289 7.833 -0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.773 5.259 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.077 5.450 -0.209 1.00 0.00 H new ATOM 0 HG LEU A 17 3.219 6.678 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.573 4.654 -3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.879 4.337 -2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.213 3.834 -2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.906 6.448 -3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.438 5.744 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.007 7.428 -2.034 1.00 0.00 H new ATOM 234 N ARG A 18 4.776 6.634 1.639 1.00 0.00 N ATOM 235 CA ARG A 18 5.258 6.473 3.000 1.00 0.00 C ATOM 236 C ARG A 18 4.841 7.671 3.856 1.00 0.00 C ATOM 237 O ARG A 18 4.488 7.512 5.023 1.00 0.00 O ATOM 238 CB ARG A 18 6.781 6.337 3.033 1.00 0.00 C ATOM 239 CG ARG A 18 7.233 5.053 2.335 1.00 0.00 C ATOM 240 CD ARG A 18 8.041 4.167 3.286 1.00 0.00 C ATOM 241 NE ARG A 18 9.304 3.750 2.638 1.00 0.00 N ATOM 242 CZ ARG A 18 10.343 4.569 2.421 1.00 0.00 C ATOM 243 NH1 ARG A 18 10.275 5.852 2.799 1.00 0.00 N ATOM 244 NH2 ARG A 18 11.450 4.103 1.826 1.00 0.00 N ATOM 0 H ARG A 18 5.424 6.319 0.917 1.00 0.00 H new ATOM 0 HA ARG A 18 4.815 5.562 3.403 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.237 7.199 2.547 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.127 6.334 4.067 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.362 4.506 1.974 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.837 5.302 1.463 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.257 4.709 4.207 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.457 3.289 3.563 1.00 0.00 H new ATOM 0 HE ARG A 18 9.390 2.779 2.338 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.433 6.206 3.252 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.066 6.475 2.634 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.502 3.126 1.539 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.241 4.726 1.661 1.00 0.00 H new ATOM 258 N GLN A 19 4.895 8.844 3.241 1.00 0.00 N ATOM 259 CA GLN A 19 4.528 10.068 3.932 1.00 0.00 C ATOM 260 C GLN A 19 3.031 10.070 4.249 1.00 0.00 C ATOM 261 O GLN A 19 2.633 10.334 5.383 1.00 0.00 O ATOM 262 CB GLN A 19 4.915 11.299 3.110 1.00 0.00 C ATOM 263 CG GLN A 19 6.345 11.741 3.425 1.00 0.00 C ATOM 264 CD GLN A 19 6.355 12.869 4.459 1.00 0.00 C ATOM 265 OE1 GLN A 19 6.268 12.650 5.656 1.00 0.00 O ATOM 266 NE2 GLN A 19 6.467 14.085 3.931 1.00 0.00 N ATOM 0 H GLN A 19 5.187 8.972 2.272 1.00 0.00 H new ATOM 0 HA GLN A 19 5.079 10.111 4.871 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.826 11.074 2.047 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.223 12.114 3.322 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.917 10.893 3.801 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.836 12.076 2.511 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.536 14.197 2.920 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.484 14.905 4.538 1.00 0.00 H new ATOM 275 N LYS A 20 2.241 9.772 3.228 1.00 0.00 N ATOM 276 CA LYS A 20 0.797 9.736 3.384 1.00 0.00 C ATOM 277 C LYS A 20 0.416 8.567 4.295 1.00 0.00 C ATOM 278 O LYS A 20 -0.480 8.691 5.127 1.00 0.00 O ATOM 279 CB LYS A 20 0.112 9.699 2.017 1.00 0.00 C ATOM 280 CG LYS A 20 0.248 11.043 1.298 1.00 0.00 C ATOM 281 CD LYS A 20 0.119 10.871 -0.216 1.00 0.00 C ATOM 282 CE LYS A 20 -0.036 12.225 -0.911 1.00 0.00 C ATOM 283 NZ LYS A 20 1.267 12.923 -0.982 1.00 0.00 N ATOM 0 H LYS A 20 2.574 9.553 2.289 1.00 0.00 H new ATOM 0 HA LYS A 20 0.443 10.646 3.868 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.552 8.910 1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.943 9.454 2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.519 11.730 1.656 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.213 11.490 1.536 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.999 10.358 -0.604 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.742 10.242 -0.442 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.434 12.081 -1.916 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.755 12.839 -0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.147 13.833 -1.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.623 13.092 -0.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.948 12.335 -1.505 1.00 0.00 H new ATOM 297 N PHE A 21 1.117 7.458 4.105 1.00 0.00 N ATOM 298 CA PHE A 21 0.863 6.268 4.899 1.00 0.00 C ATOM 299 C PHE A 21 2.151 5.756 5.547 1.00 0.00 C ATOM 300 O PHE A 21 2.675 4.714 5.157 1.00 0.00 O ATOM 301 CB PHE A 21 0.326 5.199 3.945 1.00 0.00 C ATOM 302 CG PHE A 21 -0.814 5.683 3.047 1.00 0.00 C ATOM 303 CD1 PHE A 21 -0.539 6.401 1.925 1.00 0.00 C ATOM 304 CD2 PHE A 21 -2.103 5.395 3.371 1.00 0.00 C ATOM 305 CE1 PHE A 21 -1.598 6.849 1.092 1.00 0.00 C ATOM 306 CE2 PHE A 21 -3.162 5.844 2.538 1.00 0.00 C ATOM 307 CZ PHE A 21 -2.887 6.562 1.416 1.00 0.00 C ATOM 0 H PHE A 21 1.860 7.359 3.413 1.00 0.00 H new ATOM 0 HA PHE A 21 0.154 6.496 5.694 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.143 4.843 3.317 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.022 4.347 4.529 1.00 0.00 H new ATOM 0 HD1 PHE A 21 0.485 6.630 1.668 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.321 4.825 4.262 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.380 7.418 0.200 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.186 5.615 2.795 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.692 6.904 0.783 1.00 0.00 H new ATOM 317 N PRO A 22 2.637 6.533 6.552 1.00 0.00 N ATOM 318 CA PRO A 22 3.854 6.169 7.257 1.00 0.00 C ATOM 319 C PRO A 22 3.601 5.013 8.227 1.00 0.00 C ATOM 320 O PRO A 22 4.452 4.141 8.395 1.00 0.00 O ATOM 321 CB PRO A 22 4.300 7.443 7.956 1.00 0.00 C ATOM 322 CG PRO A 22 3.078 8.345 7.997 1.00 0.00 C ATOM 323 CD PRO A 22 2.044 7.774 7.041 1.00 0.00 C ATOM 0 HA PRO A 22 4.633 5.803 6.589 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.662 7.230 8.962 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.119 7.919 7.416 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.675 8.396 9.009 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.344 9.362 7.708 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.097 7.588 7.547 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.838 8.464 6.223 1.00 0.00 H new ATOM 331 N GLU A 23 2.427 5.044 8.840 1.00 0.00 N ATOM 332 CA GLU A 23 2.051 4.009 9.789 1.00 0.00 C ATOM 333 C GLU A 23 1.944 2.656 9.084 1.00 0.00 C ATOM 334 O GLU A 23 2.374 1.636 9.621 1.00 0.00 O ATOM 335 CB GLU A 23 0.741 4.364 10.496 1.00 0.00 C ATOM 336 CG GLU A 23 -0.433 4.349 9.515 1.00 0.00 C ATOM 337 CD GLU A 23 -1.631 5.113 10.083 1.00 0.00 C ATOM 338 OE1 GLU A 23 -1.423 6.279 10.482 1.00 0.00 O ATOM 339 OE2 GLU A 23 -2.728 4.514 10.104 1.00 0.00 O ATOM 0 H GLU A 23 1.724 5.769 8.698 1.00 0.00 H new ATOM 0 HA GLU A 23 2.829 3.940 10.549 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.555 3.654 11.302 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.826 5.350 10.952 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.127 4.796 8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.721 3.319 9.303 1.00 0.00 H new ATOM 346 N VAL A 24 1.368 2.689 7.891 1.00 0.00 N ATOM 347 CA VAL A 24 1.199 1.478 7.107 1.00 0.00 C ATOM 348 C VAL A 24 2.566 0.831 6.875 1.00 0.00 C ATOM 349 O VAL A 24 3.562 1.527 6.684 1.00 0.00 O ATOM 350 CB VAL A 24 0.460 1.796 5.805 1.00 0.00 C ATOM 351 CG1 VAL A 24 0.431 0.577 4.880 1.00 0.00 C ATOM 352 CG2 VAL A 24 -0.955 2.304 6.088 1.00 0.00 C ATOM 0 H VAL A 24 1.012 3.536 7.448 1.00 0.00 H new ATOM 0 HA VAL A 24 0.585 0.757 7.646 1.00 0.00 H new ATOM 0 HB VAL A 24 1.005 2.591 5.295 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.100 0.829 3.962 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.451 0.279 4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.079 -0.247 5.379 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.458 2.523 5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.514 1.541 6.630 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.902 3.211 6.690 1.00 0.00 H new ATOM 362 N PRO A 25 2.570 -0.529 6.902 1.00 0.00 N ATOM 363 CA PRO A 25 3.799 -1.278 6.697 1.00 0.00 C ATOM 364 C PRO A 25 4.206 -1.270 5.222 1.00 0.00 C ATOM 365 O PRO A 25 3.462 -1.747 4.367 1.00 0.00 O ATOM 366 CB PRO A 25 3.502 -2.672 7.224 1.00 0.00 C ATOM 367 CG PRO A 25 1.987 -2.785 7.275 1.00 0.00 C ATOM 368 CD PRO A 25 1.410 -1.386 7.126 1.00 0.00 C ATOM 0 HA PRO A 25 4.650 -0.842 7.220 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.929 -3.435 6.573 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.938 -2.817 8.213 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.626 -3.434 6.477 1.00 0.00 H new ATOM 0 HG3 PRO A 25 1.669 -3.231 8.217 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.711 -1.333 6.291 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.863 -1.086 8.020 1.00 0.00 H new ATOM 376 N GLU A 26 5.387 -0.724 4.970 1.00 0.00 N ATOM 377 CA GLU A 26 5.902 -0.649 3.614 1.00 0.00 C ATOM 378 C GLU A 26 5.753 -2.001 2.913 1.00 0.00 C ATOM 379 O GLU A 26 5.173 -2.083 1.832 1.00 0.00 O ATOM 380 CB GLU A 26 7.360 -0.185 3.606 1.00 0.00 C ATOM 381 CG GLU A 26 7.860 0.030 2.176 1.00 0.00 C ATOM 382 CD GLU A 26 8.944 -0.987 1.816 1.00 0.00 C ATOM 383 OE1 GLU A 26 8.762 -2.167 2.187 1.00 0.00 O ATOM 384 OE2 GLU A 26 9.931 -0.563 1.177 1.00 0.00 O ATOM 0 H GLU A 26 6.001 -0.330 5.682 1.00 0.00 H new ATOM 0 HA GLU A 26 5.317 0.089 3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.453 0.743 4.171 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.984 -0.926 4.105 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.027 -0.059 1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.256 1.040 2.073 1.00 0.00 H new ATOM 391 N VAL A 27 6.288 -3.027 3.559 1.00 0.00 N ATOM 392 CA VAL A 27 6.222 -4.372 3.011 1.00 0.00 C ATOM 393 C VAL A 27 4.850 -4.589 2.368 1.00 0.00 C ATOM 394 O VAL A 27 4.754 -5.143 1.274 1.00 0.00 O ATOM 395 CB VAL A 27 6.540 -5.397 4.101 1.00 0.00 C ATOM 396 CG1 VAL A 27 6.065 -4.907 5.470 1.00 0.00 C ATOM 397 CG2 VAL A 27 5.933 -6.761 3.765 1.00 0.00 C ATOM 0 H VAL A 27 6.769 -2.954 4.456 1.00 0.00 H new ATOM 0 HA VAL A 27 6.972 -4.504 2.231 1.00 0.00 H new ATOM 0 HB VAL A 27 7.623 -5.514 4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.303 -5.654 6.227 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.566 -3.970 5.715 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.987 -4.747 5.445 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.174 -7.471 4.556 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.850 -6.666 3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.342 -7.118 2.820 1.00 0.00 H new ATOM 407 N VAL A 28 3.823 -4.141 3.075 1.00 0.00 N ATOM 408 CA VAL A 28 2.462 -4.280 2.587 1.00 0.00 C ATOM 409 C VAL A 28 2.252 -3.339 1.399 1.00 0.00 C ATOM 410 O VAL A 28 1.734 -3.749 0.361 1.00 0.00 O ATOM 411 CB VAL A 28 1.470 -4.035 3.726 1.00 0.00 C ATOM 412 CG1 VAL A 28 0.041 -3.912 3.192 1.00 0.00 C ATOM 413 CG2 VAL A 28 1.567 -5.135 4.784 1.00 0.00 C ATOM 0 H VAL A 28 3.906 -3.682 3.982 1.00 0.00 H new ATOM 0 HA VAL A 28 2.285 -5.296 2.233 1.00 0.00 H new ATOM 0 HB VAL A 28 1.733 -3.090 4.201 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.644 -3.738 4.022 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.016 -3.077 2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.236 -4.833 2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.851 -4.936 5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.343 -6.099 4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.575 -5.154 5.197 1.00 0.00 H new ATOM 423 N VAL A 29 2.665 -2.094 1.591 1.00 0.00 N ATOM 424 CA VAL A 29 2.529 -1.092 0.548 1.00 0.00 C ATOM 425 C VAL A 29 3.083 -1.649 -0.765 1.00 0.00 C ATOM 426 O VAL A 29 2.395 -1.647 -1.784 1.00 0.00 O ATOM 427 CB VAL A 29 3.209 0.209 0.980 1.00 0.00 C ATOM 428 CG1 VAL A 29 3.120 1.267 -0.121 1.00 0.00 C ATOM 429 CG2 VAL A 29 2.614 0.729 2.290 1.00 0.00 C ATOM 0 H VAL A 29 3.094 -1.757 2.453 1.00 0.00 H new ATOM 0 HA VAL A 29 1.478 -0.854 0.382 1.00 0.00 H new ATOM 0 HB VAL A 29 4.264 -0.006 1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.611 2.181 0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.612 0.898 -1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.073 1.477 -0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.115 1.654 2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.549 0.919 2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.754 -0.015 3.074 1.00 0.00 H new ATOM 439 N SER A 30 4.323 -2.112 -0.697 1.00 0.00 N ATOM 440 CA SER A 30 4.978 -2.671 -1.867 1.00 0.00 C ATOM 441 C SER A 30 4.022 -3.613 -2.602 1.00 0.00 C ATOM 442 O SER A 30 3.684 -3.380 -3.762 1.00 0.00 O ATOM 443 CB SER A 30 6.260 -3.411 -1.480 1.00 0.00 C ATOM 444 OG SER A 30 6.523 -4.512 -2.346 1.00 0.00 O ATOM 0 H SER A 30 4.891 -2.111 0.150 1.00 0.00 H new ATOM 0 HA SER A 30 5.251 -1.851 -2.531 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.101 -2.718 -1.509 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.176 -3.769 -0.454 1.00 0.00 H new ATOM 0 HG SER A 30 7.350 -4.957 -2.067 1.00 0.00 H new ATOM 450 N ARG A 31 3.613 -4.657 -1.897 1.00 0.00 N ATOM 451 CA ARG A 31 2.703 -5.635 -2.467 1.00 0.00 C ATOM 452 C ARG A 31 1.592 -4.933 -3.250 1.00 0.00 C ATOM 453 O ARG A 31 1.036 -5.500 -4.190 1.00 0.00 O ATOM 454 CB ARG A 31 2.077 -6.507 -1.377 1.00 0.00 C ATOM 455 CG ARG A 31 2.023 -7.973 -1.810 1.00 0.00 C ATOM 456 CD ARG A 31 0.865 -8.705 -1.128 1.00 0.00 C ATOM 457 NE ARG A 31 -0.229 -8.935 -2.098 1.00 0.00 N ATOM 458 CZ ARG A 31 -1.344 -9.625 -1.822 1.00 0.00 C ATOM 459 NH1 ARG A 31 -1.520 -10.156 -0.605 1.00 0.00 N ATOM 460 NH2 ARG A 31 -2.284 -9.783 -2.764 1.00 0.00 N ATOM 0 H ARG A 31 3.895 -4.847 -0.935 1.00 0.00 H new ATOM 0 HA ARG A 31 3.279 -6.272 -3.139 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.656 -6.417 -0.458 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.070 -6.152 -1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.908 -8.032 -2.892 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.964 -8.464 -1.562 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.212 -9.657 -0.726 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.498 -8.118 -0.286 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.128 -8.544 -3.035 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.805 -10.035 0.112 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.369 -10.681 -0.396 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.151 -9.378 -3.691 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.133 -10.308 -2.554 1.00 0.00 H new ATOM 474 N CYS A 32 1.300 -3.710 -2.834 1.00 0.00 N ATOM 475 CA CYS A 32 0.266 -2.924 -3.485 1.00 0.00 C ATOM 476 C CYS A 32 0.841 -2.351 -4.781 1.00 0.00 C ATOM 477 O CYS A 32 0.270 -2.538 -5.854 1.00 0.00 O ATOM 478 CB CYS A 32 -0.274 -1.827 -2.565 1.00 0.00 C ATOM 479 SG CYS A 32 -1.909 -1.260 -3.160 1.00 0.00 S ATOM 0 H CYS A 32 1.762 -3.244 -2.053 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.586 -3.562 -3.719 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.360 -2.205 -1.546 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.423 -0.989 -2.537 1.00 0.00 H new ATOM 0 HG CYS A 32 -2.263 -0.194 -2.505 1.00 0.00 H new ATOM 485 N MET A 33 1.965 -1.664 -4.639 1.00 0.00 N ATOM 486 CA MET A 33 2.625 -1.062 -5.785 1.00 0.00 C ATOM 487 C MET A 33 2.918 -2.109 -6.861 1.00 0.00 C ATOM 488 O MET A 33 2.589 -1.913 -8.030 1.00 0.00 O ATOM 489 CB MET A 33 3.934 -0.410 -5.337 1.00 0.00 C ATOM 490 CG MET A 33 3.664 0.846 -4.504 1.00 0.00 C ATOM 491 SD MET A 33 4.110 2.302 -5.434 1.00 0.00 S ATOM 492 CE MET A 33 5.878 2.077 -5.535 1.00 0.00 C ATOM 0 H MET A 33 2.436 -1.511 -3.747 1.00 0.00 H new ATOM 0 HA MET A 33 1.961 -0.309 -6.209 1.00 0.00 H new ATOM 0 HB2 MET A 33 4.517 -1.121 -4.751 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.532 -0.150 -6.210 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.611 0.890 -4.227 1.00 0.00 H new ATOM 0 HG3 MET A 33 4.236 0.807 -3.577 1.00 0.00 H new ATOM 0 HE1 MET A 33 6.245 2.495 -6.472 1.00 0.00 H new ATOM 0 HE2 MET A 33 6.358 2.585 -4.699 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.112 1.013 -5.496 1.00 0.00 H new ATOM 502 N LEU A 34 3.535 -3.199 -6.428 1.00 0.00 N ATOM 503 CA LEU A 34 3.876 -4.278 -7.340 1.00 0.00 C ATOM 504 C LEU A 34 2.613 -4.748 -8.064 1.00 0.00 C ATOM 505 O LEU A 34 2.694 -5.383 -9.114 1.00 0.00 O ATOM 506 CB LEU A 34 4.611 -5.396 -6.596 1.00 0.00 C ATOM 507 CG LEU A 34 6.126 -5.232 -6.467 1.00 0.00 C ATOM 508 CD1 LEU A 34 6.748 -6.432 -5.750 1.00 0.00 C ATOM 509 CD2 LEU A 34 6.770 -4.984 -7.833 1.00 0.00 C ATOM 0 H LEU A 34 3.808 -3.358 -5.458 1.00 0.00 H new ATOM 0 HA LEU A 34 4.569 -3.926 -8.104 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.188 -5.478 -5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.410 -6.338 -7.106 1.00 0.00 H new ATOM 0 HG LEU A 34 6.323 -4.352 -5.854 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.826 -6.290 -5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.320 -6.521 -4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.542 -7.341 -6.316 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.847 -4.871 -7.712 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.565 -5.829 -8.491 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.357 -4.075 -8.271 1.00 0.00 H new ATOM 521 N GLN A 35 1.474 -4.417 -7.474 1.00 0.00 N ATOM 522 CA GLN A 35 0.195 -4.797 -8.049 1.00 0.00 C ATOM 523 C GLN A 35 -0.328 -3.685 -8.961 1.00 0.00 C ATOM 524 O GLN A 35 -1.031 -3.955 -9.934 1.00 0.00 O ATOM 525 CB GLN A 35 -0.821 -5.132 -6.955 1.00 0.00 C ATOM 526 CG GLN A 35 -0.889 -6.641 -6.713 1.00 0.00 C ATOM 527 CD GLN A 35 -2.337 -7.134 -6.731 1.00 0.00 C ATOM 528 OE1 GLN A 35 -3.271 -6.389 -6.976 1.00 0.00 O ATOM 529 NE2 GLN A 35 -2.470 -8.429 -6.458 1.00 0.00 N ATOM 0 H GLN A 35 1.410 -3.890 -6.603 1.00 0.00 H new ATOM 0 HA GLN A 35 0.341 -5.695 -8.650 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.546 -4.624 -6.031 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.805 -4.761 -7.242 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.314 -7.162 -7.479 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.432 -6.880 -5.753 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.645 -8.996 -6.262 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.397 -8.855 -6.445 1.00 0.00 H new ATOM 538 N ASN A 36 0.034 -2.459 -8.614 1.00 0.00 N ATOM 539 CA ASN A 36 -0.390 -1.305 -9.389 1.00 0.00 C ATOM 540 C ASN A 36 0.760 -0.852 -10.290 1.00 0.00 C ATOM 541 O ASN A 36 0.824 0.312 -10.683 1.00 0.00 O ATOM 542 CB ASN A 36 -0.765 -0.136 -8.477 1.00 0.00 C ATOM 543 CG ASN A 36 -2.070 -0.420 -7.731 1.00 0.00 C ATOM 544 OD1 ASN A 36 -3.143 -0.487 -8.308 1.00 0.00 O ATOM 545 ND2 ASN A 36 -1.920 -0.581 -6.419 1.00 0.00 N ATOM 0 H ASN A 36 0.617 -2.239 -7.806 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.260 -1.595 -9.978 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.037 0.042 -7.760 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.871 0.773 -9.069 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.732 -0.773 -5.833 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.993 -0.512 -5.999 1.00 0.00 H new ATOM 552 N ASN A 37 1.641 -1.794 -10.592 1.00 0.00 N ATOM 553 CA ASN A 37 2.785 -1.506 -11.440 1.00 0.00 C ATOM 554 C ASN A 37 3.517 -0.275 -10.901 1.00 0.00 C ATOM 555 O ASN A 37 4.194 0.427 -11.650 1.00 0.00 O ATOM 556 CB ASN A 37 2.346 -1.204 -12.874 1.00 0.00 C ATOM 557 CG ASN A 37 2.768 -2.326 -13.825 1.00 0.00 C ATOM 558 OD1 ASN A 37 2.088 -3.325 -13.988 1.00 0.00 O ATOM 559 ND2 ASN A 37 3.926 -2.106 -14.441 1.00 0.00 N ATOM 0 H ASN A 37 1.586 -2.758 -10.264 1.00 0.00 H new ATOM 0 HA ASN A 37 3.434 -2.381 -11.438 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.263 -1.081 -12.908 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.784 -0.261 -13.201 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.295 -2.796 -15.096 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.445 -1.247 -14.259 1.00 0.00 H new ATOM 566 N ASN A 38 3.356 -0.052 -9.605 1.00 0.00 N ATOM 567 CA ASN A 38 3.993 1.082 -8.956 1.00 0.00 C ATOM 568 C ASN A 38 3.273 2.368 -9.366 1.00 0.00 C ATOM 569 O ASN A 38 3.586 2.957 -10.399 1.00 0.00 O ATOM 570 CB ASN A 38 5.458 1.206 -9.378 1.00 0.00 C ATOM 571 CG ASN A 38 6.050 -0.165 -9.713 1.00 0.00 C ATOM 572 OD1 ASN A 38 6.262 -0.513 -10.863 1.00 0.00 O ATOM 573 ND2 ASN A 38 6.303 -0.920 -8.649 1.00 0.00 N ATOM 0 H ASN A 38 2.794 -0.637 -8.987 1.00 0.00 H new ATOM 0 HA ASN A 38 3.940 0.928 -7.878 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.536 1.862 -10.245 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.033 1.668 -8.576 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.699 -1.853 -8.768 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.101 -0.567 -7.714 1.00 0.00 H new ATOM 580 N ASN A 39 2.322 2.767 -8.534 1.00 0.00 N ATOM 581 CA ASN A 39 1.555 3.973 -8.796 1.00 0.00 C ATOM 582 C ASN A 39 1.504 4.826 -7.527 1.00 0.00 C ATOM 583 O ASN A 39 1.780 4.335 -6.433 1.00 0.00 O ATOM 584 CB ASN A 39 0.118 3.635 -9.197 1.00 0.00 C ATOM 585 CG ASN A 39 -0.257 4.315 -10.516 1.00 0.00 C ATOM 586 OD1 ASN A 39 -0.445 5.518 -10.592 1.00 0.00 O ATOM 587 ND2 ASN A 39 -0.356 3.480 -11.546 1.00 0.00 N ATOM 0 H ASN A 39 2.065 2.276 -7.678 1.00 0.00 H new ATOM 0 HA ASN A 39 2.040 4.511 -9.611 1.00 0.00 H new ATOM 0 HB2 ASN A 39 0.009 2.555 -9.296 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.567 3.954 -8.412 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.603 3.836 -12.469 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.185 2.483 -11.413 1.00 0.00 H new ATOM 594 N LEU A 40 1.149 6.088 -7.715 1.00 0.00 N ATOM 595 CA LEU A 40 1.058 7.014 -6.598 1.00 0.00 C ATOM 596 C LEU A 40 -0.377 7.027 -6.068 1.00 0.00 C ATOM 597 O LEU A 40 -0.658 6.462 -5.012 1.00 0.00 O ATOM 598 CB LEU A 40 1.576 8.395 -7.004 1.00 0.00 C ATOM 599 CG LEU A 40 2.324 9.176 -5.921 1.00 0.00 C ATOM 600 CD1 LEU A 40 3.497 9.955 -6.518 1.00 0.00 C ATOM 601 CD2 LEU A 40 1.370 10.084 -5.143 1.00 0.00 C ATOM 0 H LEU A 40 0.921 6.492 -8.624 1.00 0.00 H new ATOM 0 HA LEU A 40 1.698 6.687 -5.779 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.239 8.275 -7.861 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.729 8.995 -7.338 1.00 0.00 H new ATOM 0 HG LEU A 40 2.740 8.462 -5.211 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.011 10.501 -5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.192 9.261 -6.991 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.125 10.659 -7.262 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.927 10.628 -4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.904 10.794 -5.827 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.598 9.479 -4.667 1.00 0.00 H new ATOM 613 N ASP A 41 -1.248 7.679 -6.825 1.00 0.00 N ATOM 614 CA ASP A 41 -2.647 7.773 -6.444 1.00 0.00 C ATOM 615 C ASP A 41 -3.264 6.373 -6.434 1.00 0.00 C ATOM 616 O ASP A 41 -3.768 5.920 -5.407 1.00 0.00 O ATOM 617 CB ASP A 41 -3.432 8.629 -7.440 1.00 0.00 C ATOM 618 CG ASP A 41 -4.226 9.779 -6.818 1.00 0.00 C ATOM 619 OD1 ASP A 41 -4.710 9.587 -5.682 1.00 0.00 O ATOM 620 OD2 ASP A 41 -4.331 10.826 -7.493 1.00 0.00 O ATOM 0 H ASP A 41 -1.012 8.147 -7.700 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.698 8.231 -5.456 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.735 9.041 -8.170 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.121 7.985 -7.986 1.00 0.00 H new ATOM 625 N ALA A 42 -3.203 5.726 -7.589 1.00 0.00 N ATOM 626 CA ALA A 42 -3.750 4.387 -7.726 1.00 0.00 C ATOM 627 C ALA A 42 -3.421 3.576 -6.471 1.00 0.00 C ATOM 628 O ALA A 42 -4.174 2.680 -6.092 1.00 0.00 O ATOM 629 CB ALA A 42 -3.201 3.739 -8.999 1.00 0.00 C ATOM 0 H ALA A 42 -2.783 6.104 -8.438 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.835 4.423 -7.820 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.611 2.734 -9.102 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.486 4.338 -9.864 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.114 3.683 -8.939 1.00 0.00 H new ATOM 635 N CYS A 43 -2.295 3.918 -5.862 1.00 0.00 N ATOM 636 CA CYS A 43 -1.858 3.233 -4.658 1.00 0.00 C ATOM 637 C CYS A 43 -2.491 3.929 -3.452 1.00 0.00 C ATOM 638 O CYS A 43 -3.146 3.286 -2.632 1.00 0.00 O ATOM 639 CB CYS A 43 -0.332 3.189 -4.555 1.00 0.00 C ATOM 640 SG CYS A 43 0.192 1.671 -3.677 1.00 0.00 S ATOM 0 H CYS A 43 -1.672 4.661 -6.180 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.185 2.194 -4.689 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.109 3.213 -5.552 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.031 4.069 -4.025 1.00 0.00 H new ATOM 0 HG CYS A 43 -0.781 0.809 -3.682 1.00 0.00 H new ATOM 646 N CYS A 44 -2.275 5.234 -3.381 1.00 0.00 N ATOM 647 CA CYS A 44 -2.816 6.025 -2.289 1.00 0.00 C ATOM 648 C CYS A 44 -4.253 5.567 -2.031 1.00 0.00 C ATOM 649 O CYS A 44 -4.623 5.282 -0.893 1.00 0.00 O ATOM 650 CB CYS A 44 -2.739 7.524 -2.583 1.00 0.00 C ATOM 651 SG CYS A 44 -3.697 8.457 -1.334 1.00 0.00 S ATOM 0 H CYS A 44 -1.732 5.764 -4.063 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.218 5.867 -1.391 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.699 7.852 -2.575 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.130 7.728 -3.580 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.226 8.205 -0.149 1.00 0.00 H new ATOM 657 N ALA A 45 -5.025 5.510 -3.107 1.00 0.00 N ATOM 658 CA ALA A 45 -6.413 5.092 -3.011 1.00 0.00 C ATOM 659 C ALA A 45 -6.482 3.722 -2.334 1.00 0.00 C ATOM 660 O ALA A 45 -7.005 3.598 -1.227 1.00 0.00 O ATOM 661 CB ALA A 45 -7.041 5.085 -4.406 1.00 0.00 C ATOM 0 H ALA A 45 -4.715 5.746 -4.050 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.984 5.791 -2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.082 4.771 -4.335 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.992 6.087 -4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.496 4.391 -5.047 1.00 0.00 H new ATOM 667 N VAL A 46 -5.949 2.727 -3.027 1.00 0.00 N ATOM 668 CA VAL A 46 -5.944 1.370 -2.506 1.00 0.00 C ATOM 669 C VAL A 46 -5.455 1.387 -1.056 1.00 0.00 C ATOM 670 O VAL A 46 -5.932 0.612 -0.228 1.00 0.00 O ATOM 671 CB VAL A 46 -5.103 0.466 -3.410 1.00 0.00 C ATOM 672 CG1 VAL A 46 -4.904 -0.912 -2.774 1.00 0.00 C ATOM 673 CG2 VAL A 46 -5.731 0.343 -4.800 1.00 0.00 C ATOM 0 H VAL A 46 -5.517 2.833 -3.945 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.953 0.958 -2.504 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.122 0.927 -3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.303 -1.535 -3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.393 -0.801 -1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.874 -1.383 -2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.113 -0.305 -5.422 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.730 -0.084 -4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.798 1.330 -5.258 1.00 0.00 H new ATOM 683 N LEU A 47 -4.511 2.278 -0.794 1.00 0.00 N ATOM 684 CA LEU A 47 -3.953 2.406 0.542 1.00 0.00 C ATOM 685 C LEU A 47 -5.003 3.017 1.472 1.00 0.00 C ATOM 686 O LEU A 47 -5.125 2.612 2.627 1.00 0.00 O ATOM 687 CB LEU A 47 -2.638 3.187 0.501 1.00 0.00 C ATOM 688 CG LEU A 47 -1.411 2.409 0.021 1.00 0.00 C ATOM 689 CD1 LEU A 47 -0.322 3.359 -0.482 1.00 0.00 C ATOM 690 CD2 LEU A 47 -0.894 1.472 1.114 1.00 0.00 C ATOM 0 H LEU A 47 -4.118 2.919 -1.484 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.701 1.425 0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.772 4.052 -0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.433 3.568 1.501 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.710 1.786 -0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.539 2.781 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.709 3.949 -1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.019 4.025 0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.022 0.931 0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.616 2.055 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.675 0.761 1.383 1.00 0.00 H new ATOM 702 N SER A 48 -5.733 3.983 0.934 1.00 0.00 N ATOM 703 CA SER A 48 -6.768 4.654 1.702 1.00 0.00 C ATOM 704 C SER A 48 -7.832 3.646 2.139 1.00 0.00 C ATOM 705 O SER A 48 -8.260 3.650 3.292 1.00 0.00 O ATOM 706 CB SER A 48 -7.408 5.785 0.893 1.00 0.00 C ATOM 707 OG SER A 48 -8.329 6.543 1.672 1.00 0.00 O ATOM 0 H SER A 48 -5.628 4.317 -0.024 1.00 0.00 H new ATOM 0 HA SER A 48 -6.307 5.092 2.587 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.628 6.444 0.511 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.923 5.366 0.029 1.00 0.00 H new ATOM 0 HG SER A 48 -8.715 7.256 1.121 1.00 0.00 H new ATOM 713 N GLN A 49 -8.230 2.806 1.194 1.00 0.00 N ATOM 714 CA GLN A 49 -9.236 1.794 1.467 1.00 0.00 C ATOM 715 C GLN A 49 -8.614 0.618 2.222 1.00 0.00 C ATOM 716 O GLN A 49 -9.254 0.023 3.088 1.00 0.00 O ATOM 717 CB GLN A 49 -9.906 1.324 0.175 1.00 0.00 C ATOM 718 CG GLN A 49 -8.864 0.854 -0.843 1.00 0.00 C ATOM 719 CD GLN A 49 -9.515 0.021 -1.949 1.00 0.00 C ATOM 720 OE1 GLN A 49 -10.430 0.453 -2.631 1.00 0.00 O ATOM 721 NE2 GLN A 49 -8.994 -1.195 -2.088 1.00 0.00 N ATOM 0 H GLN A 49 -7.874 2.806 0.238 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.008 2.237 2.096 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.598 0.511 0.395 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.495 2.137 -0.250 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.362 1.717 -1.280 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.099 0.262 -0.339 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.229 -1.494 -1.484 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.360 -1.828 -2.799 1.00 0.00 H new ATOM 730 N GLU A 50 -7.374 0.316 1.866 1.00 0.00 N ATOM 731 CA GLU A 50 -6.659 -0.779 2.499 1.00 0.00 C ATOM 732 C GLU A 50 -6.414 -0.469 3.977 1.00 0.00 C ATOM 733 O GLU A 50 -6.774 -1.258 4.849 1.00 0.00 O ATOM 734 CB GLU A 50 -5.343 -1.066 1.774 1.00 0.00 C ATOM 735 CG GLU A 50 -5.586 -1.863 0.491 1.00 0.00 C ATOM 736 CD GLU A 50 -5.718 -3.357 0.791 1.00 0.00 C ATOM 737 OE1 GLU A 50 -4.663 -4.026 0.816 1.00 0.00 O ATOM 738 OE2 GLU A 50 -6.872 -3.797 0.987 1.00 0.00 O ATOM 0 H GLU A 50 -6.846 0.811 1.147 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.275 -1.676 2.433 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.844 -0.127 1.534 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.676 -1.623 2.431 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.492 -1.505 0.002 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.763 -1.699 -0.205 1.00 0.00 H new ATOM 745 N SER A 51 -5.803 0.683 4.214 1.00 0.00 N ATOM 746 CA SER A 51 -5.506 1.107 5.572 1.00 0.00 C ATOM 747 C SER A 51 -6.671 0.751 6.498 1.00 0.00 C ATOM 748 O SER A 51 -6.501 -0.005 7.453 1.00 0.00 O ATOM 749 CB SER A 51 -5.222 2.610 5.630 1.00 0.00 C ATOM 750 OG SER A 51 -4.000 2.947 4.979 1.00 0.00 O ATOM 0 H SER A 51 -5.506 1.336 3.489 1.00 0.00 H new ATOM 0 HA SER A 51 -4.611 0.582 5.906 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.044 3.153 5.163 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.179 2.931 6.671 1.00 0.00 H new ATOM 0 HG SER A 51 -4.039 2.662 4.042 1.00 0.00 H new ATOM 756 N THR A 52 -7.829 1.314 6.184 1.00 0.00 N ATOM 757 CA THR A 52 -9.021 1.065 6.976 1.00 0.00 C ATOM 758 C THR A 52 -9.196 -0.435 7.220 1.00 0.00 C ATOM 759 O THR A 52 -9.602 -0.848 8.305 1.00 0.00 O ATOM 760 CB THR A 52 -10.209 1.706 6.256 1.00 0.00 C ATOM 761 OG1 THR A 52 -9.923 3.102 6.288 1.00 0.00 O ATOM 762 CG2 THR A 52 -11.513 1.574 7.045 1.00 0.00 C ATOM 0 H THR A 52 -7.967 1.942 5.392 1.00 0.00 H new ATOM 0 HA THR A 52 -8.940 1.516 7.965 1.00 0.00 H new ATOM 0 HB THR A 52 -10.330 1.245 5.276 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.643 3.594 5.840 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.324 2.045 6.489 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.742 0.519 7.196 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.404 2.063 8.013 1.00 0.00 H new ATOM 770 N ARG A 53 -8.881 -1.210 6.192 1.00 0.00 N ATOM 771 CA ARG A 53 -8.998 -2.655 6.282 1.00 0.00 C ATOM 772 C ARG A 53 -8.042 -3.201 7.344 1.00 0.00 C ATOM 773 O ARG A 53 -8.355 -4.177 8.024 1.00 0.00 O ATOM 774 CB ARG A 53 -8.688 -3.317 4.937 1.00 0.00 C ATOM 775 CG ARG A 53 -9.627 -4.497 4.677 1.00 0.00 C ATOM 776 CD ARG A 53 -9.476 -5.567 5.760 1.00 0.00 C ATOM 777 NE ARG A 53 -9.672 -6.912 5.174 1.00 0.00 N ATOM 778 CZ ARG A 53 -9.466 -8.058 5.837 1.00 0.00 C ATOM 779 NH1 ARG A 53 -9.057 -8.029 7.113 1.00 0.00 N ATOM 780 NH2 ARG A 53 -9.669 -9.232 5.225 1.00 0.00 N ATOM 0 H ARG A 53 -8.545 -0.864 5.293 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.026 -2.888 6.561 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.788 -2.585 4.136 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.654 -3.661 4.927 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -10.659 -4.146 4.649 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.411 -4.930 3.700 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.487 -5.500 6.214 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.203 -5.398 6.554 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.983 -6.970 4.204 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.903 -7.135 7.579 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.900 -8.901 7.618 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.980 -9.254 4.254 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.512 -10.104 5.730 1.00 0.00 H new ATOM 794 N TYR A 54 -6.894 -2.547 7.453 1.00 0.00 N ATOM 795 CA TYR A 54 -5.890 -2.954 8.420 1.00 0.00 C ATOM 796 C TYR A 54 -6.076 -2.216 9.748 1.00 0.00 C ATOM 797 O TYR A 54 -5.531 -2.626 10.772 1.00 0.00 O ATOM 798 CB TYR A 54 -4.540 -2.562 7.817 1.00 0.00 C ATOM 799 CG TYR A 54 -4.054 -3.504 6.713 1.00 0.00 C ATOM 800 CD1 TYR A 54 -4.835 -3.717 5.595 1.00 0.00 C ATOM 801 CD2 TYR A 54 -2.836 -4.140 6.835 1.00 0.00 C ATOM 802 CE1 TYR A 54 -4.378 -4.603 4.556 1.00 0.00 C ATOM 803 CE2 TYR A 54 -2.379 -5.026 5.796 1.00 0.00 C ATOM 804 CZ TYR A 54 -3.173 -5.214 4.708 1.00 0.00 C ATOM 805 OH TYR A 54 -2.741 -6.051 3.727 1.00 0.00 O ATOM 0 H TYR A 54 -6.638 -1.738 6.887 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.963 -4.023 8.622 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.614 -1.552 7.413 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.794 -2.534 8.611 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.789 -3.219 5.500 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.225 -3.973 7.710 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.979 -4.778 3.676 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.427 -5.530 5.879 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.864 -6.415 3.970 1.00 0.00 H new ATOM 815 N LEU A 55 -6.847 -1.140 9.687 1.00 0.00 N ATOM 816 CA LEU A 55 -7.112 -0.341 10.871 1.00 0.00 C ATOM 817 C LEU A 55 -8.479 -0.722 11.443 1.00 0.00 C ATOM 818 O LEU A 55 -8.650 -1.819 11.972 1.00 0.00 O ATOM 819 CB LEU A 55 -6.971 1.149 10.554 1.00 0.00 C ATOM 820 CG LEU A 55 -5.541 1.675 10.424 1.00 0.00 C ATOM 821 CD1 LEU A 55 -5.315 2.319 9.055 1.00 0.00 C ATOM 822 CD2 LEU A 55 -5.202 2.632 11.570 1.00 0.00 C ATOM 0 H LEU A 55 -7.297 -0.803 8.836 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.373 -0.550 11.645 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.498 1.353 9.622 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.476 1.716 11.336 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.859 0.828 10.498 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.290 2.684 8.990 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.487 1.580 8.272 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.006 3.152 8.926 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.180 2.991 11.454 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.888 3.479 11.552 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.296 2.108 12.521 1.00 0.00 H new ATOM 834 N TYR A 56 -9.417 0.205 11.317 1.00 0.00 N ATOM 835 CA TYR A 56 -10.763 -0.019 11.815 1.00 0.00 C ATOM 836 C TYR A 56 -11.242 -1.434 11.482 1.00 0.00 C ATOM 837 O TYR A 56 -12.085 -1.989 12.184 1.00 0.00 O ATOM 838 CB TYR A 56 -11.654 0.992 11.092 1.00 0.00 C ATOM 839 CG TYR A 56 -11.387 2.447 11.481 1.00 0.00 C ATOM 840 CD1 TYR A 56 -10.454 3.188 10.785 1.00 0.00 C ATOM 841 CD2 TYR A 56 -12.080 3.019 12.529 1.00 0.00 C ATOM 842 CE1 TYR A 56 -10.202 4.557 11.151 1.00 0.00 C ATOM 843 CE2 TYR A 56 -11.828 4.389 12.895 1.00 0.00 C ATOM 844 CZ TYR A 56 -10.902 5.091 12.188 1.00 0.00 C ATOM 845 OH TYR A 56 -10.665 6.384 12.535 1.00 0.00 O ATOM 0 H TYR A 56 -9.271 1.113 10.877 1.00 0.00 H new ATOM 0 HA TYR A 56 -10.796 0.096 12.898 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -11.512 0.882 10.017 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -12.697 0.756 11.301 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -9.912 2.740 9.965 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -12.811 2.440 13.074 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -9.474 5.147 10.614 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -12.363 4.849 13.713 1.00 0.00 H new ATOM 0 HH TYR A 56 -11.238 6.630 13.291 1.00 0.00 H new ATOM 855 N GLY A 57 -10.683 -1.976 10.410 1.00 0.00 N ATOM 856 CA GLY A 57 -11.042 -3.315 9.974 1.00 0.00 C ATOM 857 C GLY A 57 -12.195 -3.273 8.969 1.00 0.00 C ATOM 858 O GLY A 57 -13.067 -2.411 9.054 1.00 0.00 O ATOM 0 H GLY A 57 -9.984 -1.512 9.830 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -10.177 -3.798 9.520 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -11.328 -3.918 10.836 1.00 0.00 H new ATOM 862 N GLU A 58 -12.161 -4.217 8.039 1.00 0.00 N ATOM 863 CA GLU A 58 -13.192 -4.299 7.019 1.00 0.00 C ATOM 864 C GLU A 58 -13.085 -3.112 6.060 1.00 0.00 C ATOM 865 O GLU A 58 -12.488 -2.090 6.395 1.00 0.00 O ATOM 866 CB GLU A 58 -14.584 -4.371 7.650 1.00 0.00 C ATOM 867 CG GLU A 58 -15.114 -5.806 7.647 1.00 0.00 C ATOM 868 CD GLU A 58 -16.218 -5.985 8.690 1.00 0.00 C ATOM 869 OE1 GLU A 58 -15.858 -6.191 9.869 1.00 0.00 O ATOM 870 OE2 GLU A 58 -17.399 -5.912 8.285 1.00 0.00 O ATOM 0 H GLU A 58 -11.436 -4.931 7.971 1.00 0.00 H new ATOM 0 HA GLU A 58 -13.040 -5.216 6.450 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -14.543 -3.997 8.673 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -15.270 -3.725 7.101 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -15.500 -6.053 6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -14.298 -6.499 7.853 1.00 0.00 H new ATOM 877 N GLY A 59 -13.674 -3.286 4.885 1.00 0.00 N ATOM 878 CA GLY A 59 -13.653 -2.241 3.876 1.00 0.00 C ATOM 879 C GLY A 59 -13.598 -2.840 2.469 1.00 0.00 C ATOM 880 O GLY A 59 -12.782 -3.718 2.195 1.00 0.00 O ATOM 0 H GLY A 59 -14.168 -4.135 4.610 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.541 -1.617 3.975 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.790 -1.595 4.034 1.00 0.00 H new ATOM 884 N ASP A 60 -14.478 -2.340 1.613 1.00 0.00 N ATOM 885 CA ASP A 60 -14.540 -2.815 0.241 1.00 0.00 C ATOM 886 C ASP A 60 -14.786 -4.325 0.239 1.00 0.00 C ATOM 887 O ASP A 60 -14.896 -4.941 1.298 1.00 0.00 O ATOM 888 CB ASP A 60 -13.225 -2.548 -0.494 1.00 0.00 C ATOM 889 CG ASP A 60 -13.103 -1.156 -1.116 1.00 0.00 C ATOM 890 OD1 ASP A 60 -13.567 -1.006 -2.267 1.00 0.00 O ATOM 891 OD2 ASP A 60 -12.547 -0.274 -0.427 1.00 0.00 O ATOM 0 H ASP A 60 -15.153 -1.611 1.843 1.00 0.00 H new ATOM 0 HA ASP A 60 -15.348 -2.285 -0.263 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.400 -2.691 0.204 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.109 -3.293 -1.281 1.00 0.00 H new ATOM 896 N LEU A 61 -14.864 -4.878 -0.963 1.00 0.00 N ATOM 897 CA LEU A 61 -15.094 -6.304 -1.116 1.00 0.00 C ATOM 898 C LEU A 61 -13.893 -6.937 -1.823 1.00 0.00 C ATOM 899 O LEU A 61 -13.977 -8.064 -2.308 1.00 0.00 O ATOM 900 CB LEU A 61 -16.427 -6.559 -1.823 1.00 0.00 C ATOM 901 CG LEU A 61 -17.076 -5.343 -2.489 1.00 0.00 C ATOM 902 CD1 LEU A 61 -18.104 -5.776 -3.536 1.00 0.00 C ATOM 903 CD2 LEU A 61 -17.683 -4.404 -1.444 1.00 0.00 C ATOM 0 H LEU A 61 -14.772 -4.364 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 61 -15.180 -6.783 -0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -16.272 -7.325 -2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -17.129 -6.968 -1.096 1.00 0.00 H new ATOM 0 HG LEU A 61 -16.299 -4.784 -3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -18.550 -4.894 -3.994 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -17.612 -6.374 -4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -18.883 -6.370 -3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -18.137 -3.549 -1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -18.444 -4.937 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -16.901 -4.056 -0.769 1.00 0.00 H new ATOM 915 N ASN A 62 -12.804 -6.184 -1.859 1.00 0.00 N ATOM 916 CA ASN A 62 -11.588 -6.657 -2.498 1.00 0.00 C ATOM 917 C ASN A 62 -10.899 -7.673 -1.585 1.00 0.00 C ATOM 918 O ASN A 62 -10.853 -7.489 -0.369 1.00 0.00 O ATOM 919 CB ASN A 62 -10.612 -5.505 -2.746 1.00 0.00 C ATOM 920 CG ASN A 62 -10.539 -5.158 -4.234 1.00 0.00 C ATOM 921 OD1 ASN A 62 -10.997 -5.894 -5.093 1.00 0.00 O ATOM 922 ND2 ASN A 62 -9.940 -3.999 -4.491 1.00 0.00 N ATOM 0 H ASN A 62 -12.738 -5.249 -1.456 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.862 -7.109 -3.451 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -10.927 -4.629 -2.180 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -9.621 -5.779 -2.384 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -9.842 -3.678 -5.454 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.579 -3.431 -3.725 1.00 0.00 H new ATOM 929 N PHE A 63 -10.379 -8.722 -2.205 1.00 0.00 N ATOM 930 CA PHE A 63 -9.695 -9.767 -1.463 1.00 0.00 C ATOM 931 C PHE A 63 -8.200 -9.464 -1.342 1.00 0.00 C ATOM 932 O PHE A 63 -7.556 -9.095 -2.323 1.00 0.00 O ATOM 933 CB PHE A 63 -9.877 -11.067 -2.249 1.00 0.00 C ATOM 934 CG PHE A 63 -11.339 -11.461 -2.468 1.00 0.00 C ATOM 935 CD1 PHE A 63 -12.176 -11.588 -1.403 1.00 0.00 C ATOM 936 CD2 PHE A 63 -11.803 -11.686 -3.726 1.00 0.00 C ATOM 937 CE1 PHE A 63 -13.533 -11.955 -1.605 1.00 0.00 C ATOM 938 CE2 PHE A 63 -13.159 -12.052 -3.929 1.00 0.00 C ATOM 939 CZ PHE A 63 -13.996 -12.179 -2.864 1.00 0.00 C ATOM 0 H PHE A 63 -10.418 -8.871 -3.213 1.00 0.00 H new ATOM 0 HA PHE A 63 -10.107 -9.839 -0.457 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -9.390 -10.965 -3.219 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -9.369 -11.874 -1.720 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -11.808 -11.410 -0.403 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -11.139 -11.586 -4.572 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -14.197 -12.056 -0.759 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -13.527 -12.230 -4.929 1.00 0.00 H new ATOM 0 HZ PHE A 63 -15.028 -12.458 -3.018 1.00 0.00 H new ATOM 949 N SER A 64 -7.691 -9.630 -0.130 1.00 0.00 N ATOM 950 CA SER A 64 -6.284 -9.379 0.132 1.00 0.00 C ATOM 951 C SER A 64 -5.837 -10.153 1.373 1.00 0.00 C ATOM 952 O SER A 64 -6.216 -9.812 2.492 1.00 0.00 O ATOM 953 CB SER A 64 -6.016 -7.884 0.314 1.00 0.00 C ATOM 954 OG SER A 64 -6.790 -7.328 1.374 1.00 0.00 O ATOM 0 H SER A 64 -8.228 -9.935 0.682 1.00 0.00 H new ATOM 0 HA SER A 64 -5.709 -9.721 -0.729 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.957 -7.728 0.518 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.243 -7.359 -0.614 1.00 0.00 H new ATOM 0 HG SER A 64 -6.792 -7.944 2.136 1.00 0.00 H new ATOM 960 N ASP A 65 -5.036 -11.182 1.133 1.00 0.00 N ATOM 961 CA ASP A 65 -4.533 -12.007 2.218 1.00 0.00 C ATOM 962 C ASP A 65 -3.020 -11.818 2.337 1.00 0.00 C ATOM 963 O ASP A 65 -2.284 -12.053 1.379 1.00 0.00 O ATOM 964 CB ASP A 65 -4.806 -13.489 1.954 1.00 0.00 C ATOM 965 CG ASP A 65 -3.965 -14.112 0.838 1.00 0.00 C ATOM 966 OD1 ASP A 65 -3.790 -13.426 -0.192 1.00 0.00 O ATOM 967 OD2 ASP A 65 -3.515 -15.261 1.040 1.00 0.00 O ATOM 0 H ASP A 65 -4.723 -11.462 0.203 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.039 -11.705 3.135 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.630 -14.045 2.875 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.860 -13.610 1.705 1.00 0.00 H new ATOM 972 N ASP A 66 -2.599 -11.396 3.520 1.00 0.00 N ATOM 973 CA ASP A 66 -1.187 -11.173 3.777 1.00 0.00 C ATOM 974 C ASP A 66 -0.983 -10.878 5.264 1.00 0.00 C ATOM 975 O ASP A 66 -1.763 -10.142 5.867 1.00 0.00 O ATOM 976 CB ASP A 66 -0.665 -9.975 2.982 1.00 0.00 C ATOM 977 CG ASP A 66 0.844 -9.974 2.730 1.00 0.00 C ATOM 978 OD1 ASP A 66 1.576 -9.596 3.669 1.00 0.00 O ATOM 979 OD2 ASP A 66 1.232 -10.352 1.603 1.00 0.00 O ATOM 0 H ASP A 66 -3.212 -11.202 4.312 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.645 -12.070 3.477 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.179 -9.944 2.021 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.930 -9.062 3.514 1.00 0.00 H new ATOM 984 N SER A 67 0.069 -11.467 5.814 1.00 0.00 N ATOM 985 CA SER A 67 0.384 -11.276 7.219 1.00 0.00 C ATOM 986 C SER A 67 1.359 -10.109 7.382 1.00 0.00 C ATOM 987 O SER A 67 2.254 -9.922 6.559 1.00 0.00 O ATOM 988 CB SER A 67 0.974 -12.550 7.829 1.00 0.00 C ATOM 989 OG SER A 67 2.223 -12.896 7.237 1.00 0.00 O ATOM 0 H SER A 67 0.714 -12.077 5.311 1.00 0.00 H new ATOM 0 HA SER A 67 -0.540 -11.046 7.749 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.108 -12.410 8.902 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.271 -13.373 7.700 1.00 0.00 H new ATOM 0 HG SER A 67 2.568 -13.713 7.654 1.00 0.00 H new ATOM 995 N GLY A 68 1.154 -9.353 8.451 1.00 0.00 N ATOM 996 CA GLY A 68 2.003 -8.209 8.733 1.00 0.00 C ATOM 997 C GLY A 68 1.369 -7.301 9.789 1.00 0.00 C ATOM 998 O GLY A 68 0.303 -6.729 9.562 1.00 0.00 O ATOM 0 H GLY A 68 0.412 -9.511 9.132 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.977 -8.552 9.081 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.173 -7.643 7.817 1.00 0.00 H new ATOM 1002 N ILE A 69 2.050 -7.197 10.920 1.00 0.00 N ATOM 1003 CA ILE A 69 1.566 -6.369 12.012 1.00 0.00 C ATOM 1004 C ILE A 69 2.687 -5.437 12.475 1.00 0.00 C ATOM 1005 O ILE A 69 3.815 -5.878 12.692 1.00 0.00 O ATOM 1006 CB ILE A 69 0.988 -7.240 13.130 1.00 0.00 C ATOM 1007 CG1 ILE A 69 -0.199 -8.063 12.625 1.00 0.00 C ATOM 1008 CG2 ILE A 69 0.621 -6.393 14.350 1.00 0.00 C ATOM 1009 CD1 ILE A 69 0.251 -9.454 12.173 1.00 0.00 C ATOM 0 H ILE A 69 2.933 -7.672 11.104 1.00 0.00 H new ATOM 0 HA ILE A 69 0.744 -5.737 11.676 1.00 0.00 H new ATOM 0 HB ILE A 69 1.757 -7.945 13.447 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.944 -8.157 13.415 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.679 -7.544 11.795 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.213 -7.036 15.130 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.512 -5.889 14.725 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.124 -5.649 14.066 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.612 -10.018 11.819 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.977 -9.357 11.366 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.708 -9.979 13.012 1.00 0.00 H new ATOM 1021 N SER A 70 2.338 -4.167 12.614 1.00 0.00 N ATOM 1022 CA SER A 70 3.301 -3.169 13.048 1.00 0.00 C ATOM 1023 C SER A 70 2.626 -2.160 13.979 1.00 0.00 C ATOM 1024 O SER A 70 1.713 -1.445 13.569 1.00 0.00 O ATOM 1025 CB SER A 70 3.927 -2.450 11.851 1.00 0.00 C ATOM 1026 OG SER A 70 5.138 -1.786 12.200 1.00 0.00 O ATOM 0 H SER A 70 1.401 -3.806 12.434 1.00 0.00 H new ATOM 0 HA SER A 70 4.099 -3.677 13.590 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.125 -3.171 11.058 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.218 -1.725 11.453 1.00 0.00 H new ATOM 0 HG SER A 70 5.507 -1.341 11.409 1.00 0.00 H new ATOM 1032 N GLY A 71 3.101 -2.134 15.216 1.00 0.00 N ATOM 1033 CA GLY A 71 2.555 -1.225 16.208 1.00 0.00 C ATOM 1034 C GLY A 71 3.643 -0.305 16.767 1.00 0.00 C ATOM 1035 O GLY A 71 4.137 -0.522 17.872 1.00 0.00 O ATOM 0 H GLY A 71 3.858 -2.728 15.553 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.762 -0.626 15.760 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.104 -1.795 17.020 1.00 0.00 H new ATOM 1039 N PRO A 72 3.993 0.729 15.956 1.00 0.00 N ATOM 1040 CA PRO A 72 5.013 1.682 16.357 1.00 0.00 C ATOM 1041 C PRO A 72 4.475 2.649 17.414 1.00 0.00 C ATOM 1042 O PRO A 72 5.099 2.846 18.455 1.00 0.00 O ATOM 1043 CB PRO A 72 5.428 2.379 15.072 1.00 0.00 C ATOM 1044 CG PRO A 72 4.306 2.124 14.078 1.00 0.00 C ATOM 1045 CD PRO A 72 3.430 1.016 14.640 1.00 0.00 C ATOM 0 HA PRO A 72 5.871 1.205 16.831 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.570 3.447 15.235 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.375 1.985 14.702 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.721 3.031 13.921 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.713 1.835 13.109 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.390 1.333 14.715 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.449 0.134 14.000 1.00 0.00 H new ATOM 1053 N SER A 73 3.322 3.225 17.110 1.00 0.00 N ATOM 1054 CA SER A 73 2.692 4.166 18.021 1.00 0.00 C ATOM 1055 C SER A 73 3.656 5.311 18.339 1.00 0.00 C ATOM 1056 O SER A 73 4.591 5.141 19.121 1.00 0.00 O ATOM 1057 CB SER A 73 2.248 3.472 19.310 1.00 0.00 C ATOM 1058 OG SER A 73 0.947 2.903 19.189 1.00 0.00 O ATOM 0 H SER A 73 2.807 3.059 16.245 1.00 0.00 H new ATOM 0 HA SER A 73 1.804 4.571 17.535 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.963 2.690 19.566 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.255 4.191 20.130 1.00 0.00 H new ATOM 0 HG SER A 73 0.701 2.468 20.032 1.00 0.00 H new ATOM 1064 N SER A 74 3.396 6.452 17.718 1.00 0.00 N ATOM 1065 CA SER A 74 4.229 7.624 17.925 1.00 0.00 C ATOM 1066 C SER A 74 4.303 7.955 19.417 1.00 0.00 C ATOM 1067 O SER A 74 3.440 7.547 20.192 1.00 0.00 O ATOM 1068 CB SER A 74 3.695 8.825 17.141 1.00 0.00 C ATOM 1069 OG SER A 74 4.602 9.923 17.164 1.00 0.00 O ATOM 0 H SER A 74 2.620 6.590 17.071 1.00 0.00 H new ATOM 0 HA SER A 74 5.231 7.401 17.558 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.509 8.530 16.108 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.738 9.136 17.561 1.00 0.00 H new ATOM 0 HG SER A 74 4.226 10.669 16.651 1.00 0.00 H new ATOM 1075 N GLY A 75 5.344 8.693 19.775 1.00 0.00 N ATOM 1076 CA GLY A 75 5.543 9.084 21.161 1.00 0.00 C ATOM 1077 C GLY A 75 7.027 9.057 21.530 1.00 0.00 C ATOM 1078 O GLY A 75 7.740 10.037 21.323 1.00 0.00 O ATOM 0 H GLY A 75 6.058 9.030 19.130 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.143 10.085 21.321 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.989 8.411 21.816 1.00 0.00 H new TER 1082 GLY A 75