USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 657 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 48 MET CE :methyl -145:sc= -0.0585 (180deg=0) USER MOD Set 1.2: A 51 THR OG1 : rot 70:sc= -0.772 USER MOD Set 2.1: A 13 ASN : amide:sc= 0 X(o=0.17,f=0.18) USER MOD Set 2.2: A 25 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 42 CYS SG : rot 100:sc= 0.174 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0791 (180deg=0) USER MOD Single : A 2 SER OG : rot 116:sc= 0.0643 USER MOD Single : A 3 SER OG : rot 58:sc= 0.902 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0286 USER MOD Single : A 6 SER OG : rot 65:sc= 1.01 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.727 K(o=-0.73,f=-4.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -148:sc= 0.0831 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.4!) USER MOD Single : A 27 GLN : amide:sc= -3.51! C(o=-3.5!,f=-4.5!) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.647 K(o=0.65,f=-3.8!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 40 CYS SG : rot -80:sc= -0.0517 USER MOD Single : A 41 LYS NZ :NH3+ 159:sc= -0.0595 (180deg=-0.353) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.61 USER MOD Single : A 57 LYS NZ :NH3+ 163:sc= -0.0205 (180deg=-0.237) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 163:sc= 1.45 (180deg=1.07) USER MOD Single : A 62 GLN : amide:sc= -7.3! C(o=-7.3!,f=-6.3!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 71 LYS NZ :NH3+ -153:sc= 0.0933 (180deg=-0.952!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.650 -19.026 -6.611 1.00 0.00 N ATOM 2 CA GLY A 1 -3.272 -18.187 -7.733 1.00 0.00 C ATOM 3 C GLY A 1 -4.446 -17.863 -8.636 1.00 0.00 C ATOM 4 O GLY A 1 -5.597 -18.125 -8.287 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.473 -18.517 -5.722 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.660 -19.263 -6.679 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.088 -19.901 -6.627 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.838 -17.259 -7.359 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.498 -18.689 -8.314 1.00 0.00 H new ATOM 8 N SER A 2 -4.155 -17.291 -9.800 1.00 0.00 N ATOM 9 CA SER A 2 -5.195 -16.926 -10.754 1.00 0.00 C ATOM 10 C SER A 2 -4.593 -16.605 -12.118 1.00 0.00 C ATOM 11 O SER A 2 -3.375 -16.503 -12.263 1.00 0.00 O ATOM 12 CB SER A 2 -5.990 -15.724 -10.239 1.00 0.00 C ATOM 13 OG SER A 2 -5.229 -14.533 -10.330 1.00 0.00 O ATOM 0 H SER A 2 -3.207 -17.070 -10.105 1.00 0.00 H new ATOM 0 HA SER A 2 -5.867 -17.777 -10.864 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.909 -15.617 -10.816 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.282 -15.894 -9.203 1.00 0.00 H new ATOM 0 HG SER A 2 -5.661 -13.916 -10.956 1.00 0.00 H new ATOM 19 N SER A 3 -5.456 -16.447 -13.117 1.00 0.00 N ATOM 20 CA SER A 3 -5.011 -16.142 -14.471 1.00 0.00 C ATOM 21 C SER A 3 -4.884 -14.635 -14.674 1.00 0.00 C ATOM 22 O SER A 3 -5.388 -14.084 -15.652 1.00 0.00 O ATOM 23 CB SER A 3 -5.986 -16.725 -15.495 1.00 0.00 C ATOM 24 OG SER A 3 -7.173 -15.954 -15.566 1.00 0.00 O ATOM 0 H SER A 3 -6.468 -16.525 -13.013 1.00 0.00 H new ATOM 0 HA SER A 3 -4.030 -16.595 -14.615 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.511 -16.758 -16.476 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.231 -17.752 -15.224 1.00 0.00 H new ATOM 0 HG SER A 3 -6.948 -15.028 -15.796 1.00 0.00 H new ATOM 30 N GLY A 4 -4.206 -13.973 -13.741 1.00 0.00 N ATOM 31 CA GLY A 4 -4.024 -12.537 -13.835 1.00 0.00 C ATOM 32 C GLY A 4 -4.095 -11.854 -12.483 1.00 0.00 C ATOM 33 O GLY A 4 -5.128 -11.892 -11.814 1.00 0.00 O ATOM 0 H GLY A 4 -3.780 -14.406 -12.922 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.059 -12.326 -14.295 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.788 -12.119 -14.490 1.00 0.00 H new ATOM 37 N SER A 5 -2.994 -11.229 -12.079 1.00 0.00 N ATOM 38 CA SER A 5 -2.933 -10.539 -10.796 1.00 0.00 C ATOM 39 C SER A 5 -3.890 -9.351 -10.772 1.00 0.00 C ATOM 40 O SER A 5 -4.365 -8.901 -11.815 1.00 0.00 O ATOM 41 CB SER A 5 -1.506 -10.066 -10.514 1.00 0.00 C ATOM 42 OG SER A 5 -1.385 -9.569 -9.192 1.00 0.00 O ATOM 0 H SER A 5 -2.132 -11.186 -12.622 1.00 0.00 H new ATOM 0 HA SER A 5 -3.235 -11.241 -10.019 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.810 -10.892 -10.660 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.230 -9.287 -11.225 1.00 0.00 H new ATOM 0 HG SER A 5 -0.463 -9.275 -9.036 1.00 0.00 H new ATOM 48 N SER A 6 -4.168 -8.847 -9.574 1.00 0.00 N ATOM 49 CA SER A 6 -5.070 -7.713 -9.412 1.00 0.00 C ATOM 50 C SER A 6 -4.305 -6.467 -8.976 1.00 0.00 C ATOM 51 O SER A 6 -4.596 -5.879 -7.935 1.00 0.00 O ATOM 52 CB SER A 6 -6.158 -8.042 -8.388 1.00 0.00 C ATOM 53 OG SER A 6 -5.638 -8.034 -7.070 1.00 0.00 O ATOM 0 H SER A 6 -3.781 -9.206 -8.701 1.00 0.00 H new ATOM 0 HA SER A 6 -5.537 -7.512 -10.376 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.967 -7.316 -8.467 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.585 -9.021 -8.608 1.00 0.00 H new ATOM 0 HG SER A 6 -5.342 -7.128 -6.840 1.00 0.00 H new ATOM 59 N GLY A 7 -3.324 -6.071 -9.780 1.00 0.00 N ATOM 60 CA GLY A 7 -2.531 -4.898 -9.461 1.00 0.00 C ATOM 61 C GLY A 7 -1.798 -5.035 -8.141 1.00 0.00 C ATOM 62 O GLY A 7 -1.894 -6.066 -7.474 1.00 0.00 O ATOM 0 H GLY A 7 -3.064 -6.541 -10.647 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.808 -4.724 -10.258 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.180 -4.023 -9.423 1.00 0.00 H new ATOM 66 N TYR A 8 -1.063 -3.995 -7.764 1.00 0.00 N ATOM 67 CA TYR A 8 -0.308 -4.005 -6.517 1.00 0.00 C ATOM 68 C TYR A 8 -1.126 -3.402 -5.379 1.00 0.00 C ATOM 69 O TYR A 8 -0.972 -3.784 -4.219 1.00 0.00 O ATOM 70 CB TYR A 8 1.002 -3.233 -6.683 1.00 0.00 C ATOM 71 CG TYR A 8 1.554 -3.272 -8.091 1.00 0.00 C ATOM 72 CD1 TYR A 8 1.058 -2.427 -9.076 1.00 0.00 C ATOM 73 CD2 TYR A 8 2.569 -4.155 -8.436 1.00 0.00 C ATOM 74 CE1 TYR A 8 1.558 -2.459 -10.363 1.00 0.00 C ATOM 75 CE2 TYR A 8 3.077 -4.194 -9.720 1.00 0.00 C ATOM 76 CZ TYR A 8 2.568 -3.344 -10.680 1.00 0.00 C ATOM 77 OH TYR A 8 3.069 -3.381 -11.961 1.00 0.00 O ATOM 0 H TYR A 8 -0.974 -3.134 -8.304 1.00 0.00 H new ATOM 0 HA TYR A 8 -0.082 -5.042 -6.268 1.00 0.00 H new ATOM 0 HB2 TYR A 8 0.841 -2.195 -6.393 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.745 -3.643 -5.999 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.268 -1.733 -8.831 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.968 -4.823 -7.687 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.161 -1.795 -11.117 1.00 0.00 H new ATOM 0 HE2 TYR A 8 3.868 -4.886 -9.971 1.00 0.00 H new ATOM 0 HH TYR A 8 3.775 -4.058 -12.017 1.00 0.00 H new ATOM 87 N ILE A 9 -1.996 -2.458 -5.721 1.00 0.00 N ATOM 88 CA ILE A 9 -2.840 -1.802 -4.730 1.00 0.00 C ATOM 89 C ILE A 9 -3.229 -2.767 -3.615 1.00 0.00 C ATOM 90 O ILE A 9 -3.237 -2.403 -2.439 1.00 0.00 O ATOM 91 CB ILE A 9 -4.120 -1.232 -5.369 1.00 0.00 C ATOM 92 CG1 ILE A 9 -3.775 -0.438 -6.631 1.00 0.00 C ATOM 93 CG2 ILE A 9 -4.864 -0.356 -4.372 1.00 0.00 C ATOM 94 CD1 ILE A 9 -2.686 0.590 -6.419 1.00 0.00 C ATOM 0 H ILE A 9 -2.135 -2.130 -6.677 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.256 -0.982 -4.312 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.770 -2.061 -5.650 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.462 -1.131 -7.412 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.673 0.064 -6.991 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.766 0.040 -4.838 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.137 -0.949 -3.499 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.223 0.470 -4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.494 1.115 -7.355 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.004 1.306 -5.661 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.775 0.092 -6.088 1.00 0.00 H new ATOM 106 N GLY A 10 -3.549 -4.001 -3.992 1.00 0.00 N ATOM 107 CA GLY A 10 -3.933 -5.001 -3.012 1.00 0.00 C ATOM 108 C GLY A 10 -2.763 -5.855 -2.567 1.00 0.00 C ATOM 109 O GLY A 10 -2.713 -6.304 -1.421 1.00 0.00 O ATOM 0 H GLY A 10 -3.549 -4.326 -4.959 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.369 -4.506 -2.144 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.707 -5.642 -3.435 1.00 0.00 H new ATOM 113 N LEU A 11 -1.820 -6.083 -3.475 1.00 0.00 N ATOM 114 CA LEU A 11 -0.645 -6.892 -3.170 1.00 0.00 C ATOM 115 C LEU A 11 -0.211 -6.698 -1.721 1.00 0.00 C ATOM 116 O LEU A 11 0.058 -7.665 -1.007 1.00 0.00 O ATOM 117 CB LEU A 11 0.506 -6.530 -4.111 1.00 0.00 C ATOM 118 CG LEU A 11 0.569 -7.311 -5.425 1.00 0.00 C ATOM 119 CD1 LEU A 11 1.627 -6.722 -6.345 1.00 0.00 C ATOM 120 CD2 LEU A 11 0.850 -8.782 -5.158 1.00 0.00 C ATOM 0 H LEU A 11 -1.846 -5.719 -4.428 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.909 -7.940 -3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.437 -5.468 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.445 -6.678 -3.578 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.399 -7.231 -5.920 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.658 -7.290 -7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.382 -5.683 -6.563 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.601 -6.771 -5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.891 -9.322 -6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.804 -8.882 -4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.056 -9.197 -4.538 1.00 0.00 H new ATOM 132 N VAL A 12 -0.146 -5.442 -1.290 1.00 0.00 N ATOM 133 CA VAL A 12 0.251 -5.121 0.075 1.00 0.00 C ATOM 134 C VAL A 12 -0.776 -5.630 1.080 1.00 0.00 C ATOM 135 O VAL A 12 -0.460 -6.443 1.948 1.00 0.00 O ATOM 136 CB VAL A 12 0.432 -3.604 0.265 1.00 0.00 C ATOM 137 CG1 VAL A 12 0.555 -3.261 1.742 1.00 0.00 C ATOM 138 CG2 VAL A 12 1.646 -3.111 -0.508 1.00 0.00 C ATOM 0 H VAL A 12 -0.364 -4.630 -1.868 1.00 0.00 H new ATOM 0 HA VAL A 12 1.205 -5.618 0.252 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.450 -3.099 -0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.682 -2.184 1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.347 -3.577 2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.418 -3.775 2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.759 -2.037 -0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.539 -3.622 -0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.512 -3.321 -1.569 1.00 0.00 H new ATOM 148 N ASN A 13 -2.007 -5.144 0.957 1.00 0.00 N ATOM 149 CA ASN A 13 -3.082 -5.550 1.855 1.00 0.00 C ATOM 150 C ASN A 13 -2.944 -7.020 2.240 1.00 0.00 C ATOM 151 O ASN A 13 -3.183 -7.397 3.387 1.00 0.00 O ATOM 152 CB ASN A 13 -4.442 -5.308 1.198 1.00 0.00 C ATOM 153 CG ASN A 13 -4.945 -3.894 1.413 1.00 0.00 C ATOM 154 OD1 ASN A 13 -5.598 -3.601 2.414 1.00 0.00 O ATOM 155 ND2 ASN A 13 -4.642 -3.009 0.470 1.00 0.00 N ATOM 0 H ASN A 13 -2.285 -4.469 0.245 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.012 -4.948 2.761 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.366 -5.505 0.129 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.168 -6.014 1.601 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.953 -2.042 0.559 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.098 -3.297 -0.343 1.00 0.00 H new ATOM 162 N SER A 14 -2.557 -7.845 1.273 1.00 0.00 N ATOM 163 CA SER A 14 -2.390 -9.274 1.509 1.00 0.00 C ATOM 164 C SER A 14 -0.986 -9.580 2.020 1.00 0.00 C ATOM 165 O SER A 14 -0.806 -10.397 2.924 1.00 0.00 O ATOM 166 CB SER A 14 -2.660 -10.060 0.224 1.00 0.00 C ATOM 167 OG SER A 14 -4.045 -10.090 -0.075 1.00 0.00 O ATOM 0 H SER A 14 -2.353 -7.548 0.319 1.00 0.00 H new ATOM 0 HA SER A 14 -3.109 -9.578 2.270 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.116 -9.606 -0.604 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.286 -11.078 0.332 1.00 0.00 H new ATOM 0 HG SER A 14 -4.190 -10.597 -0.901 1.00 0.00 H new ATOM 173 N PHE A 15 0.007 -8.918 1.436 1.00 0.00 N ATOM 174 CA PHE A 15 1.396 -9.119 1.831 1.00 0.00 C ATOM 175 C PHE A 15 1.552 -9.012 3.345 1.00 0.00 C ATOM 176 O PHE A 15 2.309 -9.765 3.957 1.00 0.00 O ATOM 177 CB PHE A 15 2.298 -8.094 1.140 1.00 0.00 C ATOM 178 CG PHE A 15 3.723 -8.549 0.998 1.00 0.00 C ATOM 179 CD1 PHE A 15 4.589 -8.505 2.079 1.00 0.00 C ATOM 180 CD2 PHE A 15 4.196 -9.020 -0.215 1.00 0.00 C ATOM 181 CE1 PHE A 15 5.900 -8.921 1.952 1.00 0.00 C ATOM 182 CE2 PHE A 15 5.507 -9.439 -0.349 1.00 0.00 C ATOM 183 CZ PHE A 15 6.360 -9.390 0.736 1.00 0.00 C ATOM 0 H PHE A 15 -0.124 -8.238 0.687 1.00 0.00 H new ATOM 0 HA PHE A 15 1.694 -10.121 1.523 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.895 -7.875 0.151 1.00 0.00 H new ATOM 0 HB3 PHE A 15 2.277 -7.163 1.706 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.235 -8.141 3.032 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.533 -9.061 -1.067 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.565 -8.880 2.802 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.863 -9.804 -1.301 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.384 -9.717 0.635 1.00 0.00 H new ATOM 193 N ALA A 16 0.831 -8.069 3.943 1.00 0.00 N ATOM 194 CA ALA A 16 0.888 -7.863 5.385 1.00 0.00 C ATOM 195 C ALA A 16 0.379 -9.090 6.135 1.00 0.00 C ATOM 196 O ALA A 16 1.151 -9.795 6.784 1.00 0.00 O ATOM 197 CB ALA A 16 0.082 -6.633 5.774 1.00 0.00 C ATOM 0 H ALA A 16 0.201 -7.436 3.451 1.00 0.00 H new ATOM 0 HA ALA A 16 1.930 -7.705 5.664 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.133 -6.491 6.853 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.492 -5.756 5.273 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.957 -6.769 5.475 1.00 0.00 H new ATOM 203 N GLN A 17 -0.924 -9.337 6.041 1.00 0.00 N ATOM 204 CA GLN A 17 -1.535 -10.478 6.713 1.00 0.00 C ATOM 205 C GLN A 17 -0.666 -11.723 6.569 1.00 0.00 C ATOM 206 O GLN A 17 -0.356 -12.394 7.554 1.00 0.00 O ATOM 207 CB GLN A 17 -2.928 -10.746 6.142 1.00 0.00 C ATOM 208 CG GLN A 17 -3.901 -11.321 7.159 1.00 0.00 C ATOM 209 CD GLN A 17 -4.374 -10.288 8.163 1.00 0.00 C ATOM 210 OE1 GLN A 17 -3.583 -9.495 8.674 1.00 0.00 O ATOM 211 NE2 GLN A 17 -5.670 -10.292 8.451 1.00 0.00 N ATOM 0 H GLN A 17 -1.576 -8.763 5.507 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.624 -10.239 7.773 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.335 -9.815 5.748 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.841 -11.437 5.303 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.763 -11.736 6.637 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.422 -12.145 7.689 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.290 -10.967 8.004 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.046 -9.620 9.120 1.00 0.00 H new ATOM 220 N LYS A 18 -0.274 -12.027 5.337 1.00 0.00 N ATOM 221 CA LYS A 18 0.560 -13.191 5.063 1.00 0.00 C ATOM 222 C LYS A 18 1.854 -13.135 5.870 1.00 0.00 C ATOM 223 O LYS A 18 2.336 -14.155 6.361 1.00 0.00 O ATOM 224 CB LYS A 18 0.882 -13.273 3.569 1.00 0.00 C ATOM 225 CG LYS A 18 -0.169 -14.014 2.761 1.00 0.00 C ATOM 226 CD LYS A 18 -1.521 -13.325 2.839 1.00 0.00 C ATOM 227 CE LYS A 18 -2.652 -14.275 2.478 1.00 0.00 C ATOM 228 NZ LYS A 18 -3.817 -13.553 1.894 1.00 0.00 N ATOM 0 H LYS A 18 -0.521 -11.482 4.511 1.00 0.00 H new ATOM 0 HA LYS A 18 0.006 -14.082 5.359 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.988 -12.263 3.173 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.844 -13.769 3.440 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.149 -14.077 1.720 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.259 -15.036 3.129 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.676 -12.939 3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.534 -12.469 2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.290 -15.017 1.766 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.970 -14.817 3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.567 -14.235 1.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.178 -12.863 2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.520 -13.057 1.030 1.00 0.00 H new ATOM 242 N LYS A 19 2.410 -11.936 6.004 1.00 0.00 N ATOM 243 CA LYS A 19 3.646 -11.745 6.754 1.00 0.00 C ATOM 244 C LYS A 19 3.352 -11.332 8.193 1.00 0.00 C ATOM 245 O LYS A 19 4.208 -10.771 8.876 1.00 0.00 O ATOM 246 CB LYS A 19 4.520 -10.687 6.077 1.00 0.00 C ATOM 247 CG LYS A 19 5.441 -11.251 5.010 1.00 0.00 C ATOM 248 CD LYS A 19 4.708 -11.464 3.696 1.00 0.00 C ATOM 249 CE LYS A 19 5.599 -12.139 2.664 1.00 0.00 C ATOM 250 NZ LYS A 19 4.844 -12.501 1.432 1.00 0.00 N ATOM 0 H LYS A 19 2.024 -11.081 5.603 1.00 0.00 H new ATOM 0 HA LYS A 19 4.182 -12.694 6.769 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.877 -9.930 5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.121 -10.185 6.835 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.278 -10.571 4.854 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.859 -12.198 5.352 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.821 -12.074 3.868 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.365 -10.504 3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.422 -11.473 2.403 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.040 -13.037 3.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.248 -13.365 1.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.846 -12.666 1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.910 -11.724 0.744 1.00 0.00 H new ATOM 264 N LYS A 20 2.135 -11.614 8.647 1.00 0.00 N ATOM 265 CA LYS A 20 1.728 -11.275 10.005 1.00 0.00 C ATOM 266 C LYS A 20 2.187 -9.868 10.376 1.00 0.00 C ATOM 267 O LYS A 20 2.631 -9.624 11.498 1.00 0.00 O ATOM 268 CB LYS A 20 2.300 -12.287 11.000 1.00 0.00 C ATOM 269 CG LYS A 20 3.817 -12.369 10.979 1.00 0.00 C ATOM 270 CD LYS A 20 4.344 -13.239 12.109 1.00 0.00 C ATOM 271 CE LYS A 20 5.864 -13.247 12.143 1.00 0.00 C ATOM 272 NZ LYS A 20 6.432 -14.333 11.297 1.00 0.00 N ATOM 0 H LYS A 20 1.414 -12.077 8.094 1.00 0.00 H new ATOM 0 HA LYS A 20 0.639 -11.307 10.049 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.973 -12.021 12.005 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.888 -13.272 10.781 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.147 -12.774 10.022 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.238 -11.367 11.063 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.960 -12.873 13.061 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.976 -14.258 11.987 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.240 -12.284 11.798 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.204 -13.372 13.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.470 -14.305 11.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.094 -15.254 11.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.129 -14.199 10.311 1.00 0.00 H new ATOM 286 N LEU A 21 2.075 -8.945 9.426 1.00 0.00 N ATOM 287 CA LEU A 21 2.477 -7.561 9.653 1.00 0.00 C ATOM 288 C LEU A 21 1.262 -6.676 9.909 1.00 0.00 C ATOM 289 O LEU A 21 0.121 -7.132 9.828 1.00 0.00 O ATOM 290 CB LEU A 21 3.262 -7.034 8.451 1.00 0.00 C ATOM 291 CG LEU A 21 4.745 -7.406 8.401 1.00 0.00 C ATOM 292 CD1 LEU A 21 5.336 -7.065 7.043 1.00 0.00 C ATOM 293 CD2 LEU A 21 5.509 -6.699 9.511 1.00 0.00 C ATOM 0 H LEU A 21 1.709 -9.130 8.492 1.00 0.00 H new ATOM 0 HA LEU A 21 3.115 -7.534 10.536 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.785 -7.401 7.542 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.180 -5.947 8.437 1.00 0.00 H new ATOM 0 HG LEU A 21 4.836 -8.482 8.553 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.391 -7.337 7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.807 -7.618 6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.234 -5.995 6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.562 -6.975 9.461 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.410 -5.620 9.391 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.102 -6.995 10.478 1.00 0.00 H new ATOM 305 N SER A 22 1.514 -5.408 10.216 1.00 0.00 N ATOM 306 CA SER A 22 0.440 -4.459 10.485 1.00 0.00 C ATOM 307 C SER A 22 0.509 -3.274 9.526 1.00 0.00 C ATOM 308 O SER A 22 1.506 -2.553 9.483 1.00 0.00 O ATOM 309 CB SER A 22 0.518 -3.964 11.931 1.00 0.00 C ATOM 310 OG SER A 22 -0.176 -4.836 12.806 1.00 0.00 O ATOM 0 H SER A 22 2.452 -5.014 10.285 1.00 0.00 H new ATOM 0 HA SER A 22 -0.510 -4.972 10.334 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.561 -3.890 12.238 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.094 -2.962 11.999 1.00 0.00 H new ATOM 0 HG SER A 22 -0.110 -4.499 13.724 1.00 0.00 H new ATOM 316 N VAL A 23 -0.558 -3.079 8.758 1.00 0.00 N ATOM 317 CA VAL A 23 -0.621 -1.982 7.800 1.00 0.00 C ATOM 318 C VAL A 23 -1.498 -0.848 8.319 1.00 0.00 C ATOM 319 O VAL A 23 -2.534 -1.085 8.938 1.00 0.00 O ATOM 320 CB VAL A 23 -1.166 -2.456 6.439 1.00 0.00 C ATOM 321 CG1 VAL A 23 -2.687 -2.464 6.446 1.00 0.00 C ATOM 322 CG2 VAL A 23 -0.634 -1.576 5.318 1.00 0.00 C ATOM 0 H VAL A 23 -1.391 -3.667 8.781 1.00 0.00 H new ATOM 0 HA VAL A 23 0.398 -1.618 7.669 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.823 -3.476 6.264 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.054 -2.801 5.477 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.044 -3.139 7.224 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.055 -1.457 6.643 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.029 -1.924 4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.946 -0.545 5.485 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.455 -1.627 5.301 1.00 0.00 H new ATOM 332 N ASN A 24 -1.074 0.385 8.063 1.00 0.00 N ATOM 333 CA ASN A 24 -1.821 1.557 8.505 1.00 0.00 C ATOM 334 C ASN A 24 -2.008 2.547 7.359 1.00 0.00 C ATOM 335 O ASN A 24 -1.110 2.739 6.538 1.00 0.00 O ATOM 336 CB ASN A 24 -1.100 2.238 9.670 1.00 0.00 C ATOM 337 CG ASN A 24 -2.058 2.943 10.610 1.00 0.00 C ATOM 338 OD1 ASN A 24 -3.190 2.499 10.809 1.00 0.00 O ATOM 339 ND2 ASN A 24 -1.609 4.047 11.195 1.00 0.00 N ATOM 0 H ASN A 24 -0.217 0.599 7.552 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.804 1.226 8.839 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.531 1.493 10.227 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.383 2.959 9.278 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.209 4.563 11.838 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.664 4.379 11.001 1.00 0.00 H new ATOM 346 N TYR A 25 -3.178 3.173 7.310 1.00 0.00 N ATOM 347 CA TYR A 25 -3.483 4.143 6.264 1.00 0.00 C ATOM 348 C TYR A 25 -3.880 5.487 6.867 1.00 0.00 C ATOM 349 O TYR A 25 -5.022 5.681 7.282 1.00 0.00 O ATOM 350 CB TYR A 25 -4.608 3.621 5.369 1.00 0.00 C ATOM 351 CG TYR A 25 -4.193 2.465 4.487 1.00 0.00 C ATOM 352 CD1 TYR A 25 -4.199 1.162 4.968 1.00 0.00 C ATOM 353 CD2 TYR A 25 -3.795 2.676 3.173 1.00 0.00 C ATOM 354 CE1 TYR A 25 -3.820 0.102 4.166 1.00 0.00 C ATOM 355 CE2 TYR A 25 -3.416 1.623 2.363 1.00 0.00 C ATOM 356 CZ TYR A 25 -3.430 0.338 2.865 1.00 0.00 C ATOM 357 OH TYR A 25 -3.052 -0.714 2.062 1.00 0.00 O ATOM 0 H TYR A 25 -3.931 3.027 7.982 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.585 4.286 5.663 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.443 3.308 5.995 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.969 4.435 4.741 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.505 0.974 5.986 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.782 3.681 2.778 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.829 -0.905 4.556 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.111 1.805 1.343 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.807 -0.377 1.175 1.00 0.00 H new ATOM 367 N GLU A 26 -2.927 6.413 6.909 1.00 0.00 N ATOM 368 CA GLU A 26 -3.176 7.740 7.460 1.00 0.00 C ATOM 369 C GLU A 26 -3.585 8.717 6.362 1.00 0.00 C ATOM 370 O GLU A 26 -2.979 8.753 5.292 1.00 0.00 O ATOM 371 CB GLU A 26 -1.930 8.259 8.181 1.00 0.00 C ATOM 372 CG GLU A 26 -1.829 7.804 9.627 1.00 0.00 C ATOM 373 CD GLU A 26 -3.089 8.096 10.420 1.00 0.00 C ATOM 374 OE1 GLU A 26 -3.240 9.241 10.894 1.00 0.00 O ATOM 375 OE2 GLU A 26 -3.924 7.178 10.565 1.00 0.00 O ATOM 0 H GLU A 26 -1.976 6.269 6.568 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.995 7.661 8.175 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.043 7.926 7.642 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.931 9.349 8.151 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.627 6.733 9.654 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.982 8.300 10.102 1.00 0.00 H new ATOM 382 N GLN A 27 -4.619 9.507 6.636 1.00 0.00 N ATOM 383 CA GLN A 27 -5.111 10.483 5.672 1.00 0.00 C ATOM 384 C GLN A 27 -4.999 11.900 6.226 1.00 0.00 C ATOM 385 O GLN A 27 -5.798 12.313 7.067 1.00 0.00 O ATOM 386 CB GLN A 27 -6.564 10.180 5.303 1.00 0.00 C ATOM 387 CG GLN A 27 -7.077 10.997 4.129 1.00 0.00 C ATOM 388 CD GLN A 27 -7.059 12.488 4.403 1.00 0.00 C ATOM 389 OE1 GLN A 27 -6.183 13.209 3.922 1.00 0.00 O ATOM 390 NE2 GLN A 27 -8.027 12.960 5.179 1.00 0.00 N ATOM 0 H GLN A 27 -5.132 9.490 7.518 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.494 10.413 4.776 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.656 9.120 5.065 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.197 10.368 6.170 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.468 10.786 3.250 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.095 10.687 3.893 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.732 12.327 5.556 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.065 13.955 5.398 1.00 0.00 H new ATOM 399 N CYS A 28 -4.003 12.639 5.749 1.00 0.00 N ATOM 400 CA CYS A 28 -3.786 14.009 6.198 1.00 0.00 C ATOM 401 C CYS A 28 -3.827 14.980 5.022 1.00 0.00 C ATOM 402 O CYS A 28 -4.049 14.576 3.880 1.00 0.00 O ATOM 403 CB CYS A 28 -2.444 14.124 6.923 1.00 0.00 C ATOM 404 SG CYS A 28 -2.498 13.624 8.659 1.00 0.00 S ATOM 0 H CYS A 28 -3.334 12.312 5.052 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.588 14.270 6.889 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.708 13.511 6.402 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.099 15.156 6.864 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.316 13.754 9.185 1.00 0.00 H new ATOM 410 N GLU A 29 -3.614 16.260 5.309 1.00 0.00 N ATOM 411 CA GLU A 29 -3.629 17.287 4.275 1.00 0.00 C ATOM 412 C GLU A 29 -2.292 18.020 4.216 1.00 0.00 C ATOM 413 O GLU A 29 -1.640 18.258 5.233 1.00 0.00 O ATOM 414 CB GLU A 29 -4.759 18.286 4.534 1.00 0.00 C ATOM 415 CG GLU A 29 -4.610 19.049 5.839 1.00 0.00 C ATOM 416 CD GLU A 29 -5.944 19.475 6.422 1.00 0.00 C ATOM 417 OE1 GLU A 29 -6.925 19.565 5.655 1.00 0.00 O ATOM 418 OE2 GLU A 29 -6.006 19.717 7.645 1.00 0.00 O ATOM 0 H GLU A 29 -3.429 16.610 6.249 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.798 16.798 3.316 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.799 18.998 3.709 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.710 17.753 4.541 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.084 18.425 6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.993 19.932 5.671 1.00 0.00 H new ATOM 425 N PRO A 30 -1.872 18.386 2.996 1.00 0.00 N ATOM 426 CA PRO A 30 -0.609 19.097 2.773 1.00 0.00 C ATOM 427 C PRO A 30 -0.650 20.529 3.296 1.00 0.00 C ATOM 428 O PRO A 30 -1.657 21.222 3.158 1.00 0.00 O ATOM 429 CB PRO A 30 -0.461 19.088 1.250 1.00 0.00 C ATOM 430 CG PRO A 30 -1.853 18.970 0.734 1.00 0.00 C ATOM 431 CD PRO A 30 -2.598 18.135 1.739 1.00 0.00 C ATOM 0 HA PRO A 30 0.222 18.626 3.298 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.017 20.000 0.894 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.156 18.254 0.917 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.313 19.952 0.625 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.866 18.501 -0.250 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.644 18.433 1.813 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.586 17.078 1.472 1.00 0.00 H new ATOM 439 N ASN A 31 0.452 20.965 3.898 1.00 0.00 N ATOM 440 CA ASN A 31 0.542 22.316 4.442 1.00 0.00 C ATOM 441 C ASN A 31 -0.221 23.306 3.568 1.00 0.00 C ATOM 442 O ASN A 31 -1.221 23.884 3.994 1.00 0.00 O ATOM 443 CB ASN A 31 2.006 22.744 4.560 1.00 0.00 C ATOM 444 CG ASN A 31 2.912 21.600 4.973 1.00 0.00 C ATOM 445 OD1 ASN A 31 3.037 20.605 4.259 1.00 0.00 O ATOM 446 ND2 ASN A 31 3.548 21.738 6.130 1.00 0.00 N ATOM 0 H ASN A 31 1.294 20.403 4.022 1.00 0.00 H new ATOM 0 HA ASN A 31 0.091 22.313 5.434 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.343 23.143 3.603 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.088 23.550 5.289 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.171 21.001 6.460 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.414 22.581 6.689 1.00 0.00 H new ATOM 453 N SER A 32 0.258 23.496 2.342 1.00 0.00 N ATOM 454 CA SER A 32 -0.377 24.419 1.408 1.00 0.00 C ATOM 455 C SER A 32 -1.896 24.281 1.455 1.00 0.00 C ATOM 456 O SER A 32 -2.447 23.251 1.069 1.00 0.00 O ATOM 457 CB SER A 32 0.126 24.165 -0.014 1.00 0.00 C ATOM 458 OG SER A 32 1.351 24.837 -0.250 1.00 0.00 O ATOM 0 H SER A 32 1.083 23.023 1.973 1.00 0.00 H new ATOM 0 HA SER A 32 -0.113 25.434 1.703 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.259 23.094 -0.170 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.621 24.501 -0.733 1.00 0.00 H new ATOM 0 HG SER A 32 1.652 24.657 -1.165 1.00 0.00 H new ATOM 464 N GLU A 33 -2.564 25.327 1.931 1.00 0.00 N ATOM 465 CA GLU A 33 -4.019 25.322 2.030 1.00 0.00 C ATOM 466 C GLU A 33 -4.647 24.709 0.781 1.00 0.00 C ATOM 467 O GLU A 33 -5.227 23.624 0.833 1.00 0.00 O ATOM 468 CB GLU A 33 -4.544 26.745 2.231 1.00 0.00 C ATOM 469 CG GLU A 33 -4.219 27.325 3.598 1.00 0.00 C ATOM 470 CD GLU A 33 -2.756 27.696 3.741 1.00 0.00 C ATOM 471 OE1 GLU A 33 -2.319 28.655 3.072 1.00 0.00 O ATOM 472 OE2 GLU A 33 -2.048 27.027 4.523 1.00 0.00 O ATOM 0 H GLU A 33 -2.122 26.188 2.254 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.297 24.715 2.892 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.122 27.391 1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.625 26.748 2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.833 28.210 3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.483 26.600 4.368 1.00 0.00 H new ATOM 479 N LEU A 34 -4.526 25.411 -0.340 1.00 0.00 N ATOM 480 CA LEU A 34 -5.082 24.938 -1.603 1.00 0.00 C ATOM 481 C LEU A 34 -3.972 24.594 -2.591 1.00 0.00 C ATOM 482 O LEU A 34 -2.854 25.104 -2.509 1.00 0.00 O ATOM 483 CB LEU A 34 -6.006 25.998 -2.205 1.00 0.00 C ATOM 484 CG LEU A 34 -7.395 26.112 -1.576 1.00 0.00 C ATOM 485 CD1 LEU A 34 -8.361 25.137 -2.232 1.00 0.00 C ATOM 486 CD2 LEU A 34 -7.323 25.867 -0.076 1.00 0.00 C ATOM 0 H LEU A 34 -4.048 26.310 -0.400 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.658 24.035 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.513 26.967 -2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.126 25.786 -3.267 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.765 27.124 -1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.344 25.233 -1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.436 25.360 -3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.996 24.119 -2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.321 25.952 0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.931 24.867 0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.666 26.606 0.382 1.00 0.00 H new ATOM 498 N PRO A 35 -4.286 23.711 -3.550 1.00 0.00 N ATOM 499 CA PRO A 35 -5.613 23.097 -3.658 1.00 0.00 C ATOM 500 C PRO A 35 -5.891 22.115 -2.525 1.00 0.00 C ATOM 501 O PRO A 35 -5.005 21.806 -1.729 1.00 0.00 O ATOM 502 CB PRO A 35 -5.557 22.364 -5.000 1.00 0.00 C ATOM 503 CG PRO A 35 -4.110 22.089 -5.222 1.00 0.00 C ATOM 504 CD PRO A 35 -3.370 23.242 -4.603 1.00 0.00 C ATOM 0 HA PRO A 35 -6.411 23.837 -3.595 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -6.135 21.441 -4.971 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -5.971 22.975 -5.802 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.817 21.145 -4.762 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.887 22.008 -6.286 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.411 22.929 -4.191 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.163 24.025 -5.333 1.00 0.00 H new ATOM 512 N GLN A 36 -7.126 21.628 -2.461 1.00 0.00 N ATOM 513 CA GLN A 36 -7.519 20.680 -1.425 1.00 0.00 C ATOM 514 C GLN A 36 -7.857 19.322 -2.029 1.00 0.00 C ATOM 515 O GLN A 36 -8.947 19.124 -2.566 1.00 0.00 O ATOM 516 CB GLN A 36 -8.720 21.216 -0.643 1.00 0.00 C ATOM 517 CG GLN A 36 -8.343 22.211 0.444 1.00 0.00 C ATOM 518 CD GLN A 36 -9.541 22.967 0.983 1.00 0.00 C ATOM 519 OE1 GLN A 36 -10.342 23.510 0.221 1.00 0.00 O ATOM 520 NE2 GLN A 36 -9.671 23.006 2.304 1.00 0.00 N ATOM 0 H GLN A 36 -7.871 21.874 -3.113 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.677 20.555 -0.744 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -9.411 21.694 -1.337 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.251 20.379 -0.190 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.854 21.682 1.262 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.619 22.922 0.046 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.984 22.542 2.898 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.458 23.500 2.725 1.00 0.00 H new ATOM 529 N ARG A 37 -6.915 18.388 -1.939 1.00 0.00 N ATOM 530 CA ARG A 37 -7.113 17.049 -2.479 1.00 0.00 C ATOM 531 C ARG A 37 -6.952 15.994 -1.388 1.00 0.00 C ATOM 532 O ARG A 37 -6.521 16.297 -0.276 1.00 0.00 O ATOM 533 CB ARG A 37 -6.121 16.781 -3.612 1.00 0.00 C ATOM 534 CG ARG A 37 -4.735 16.386 -3.128 1.00 0.00 C ATOM 535 CD ARG A 37 -3.997 17.571 -2.526 1.00 0.00 C ATOM 536 NE ARG A 37 -2.550 17.455 -2.689 1.00 0.00 N ATOM 537 CZ ARG A 37 -1.941 17.446 -3.869 1.00 0.00 C ATOM 538 NH1 ARG A 37 -2.651 17.546 -4.985 1.00 0.00 N ATOM 539 NH2 ARG A 37 -0.621 17.337 -3.936 1.00 0.00 N ATOM 0 H ARG A 37 -6.007 18.535 -1.497 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.128 16.989 -2.872 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.514 15.988 -4.248 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.039 17.675 -4.231 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.820 15.593 -2.385 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.159 15.982 -3.961 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.342 18.491 -2.998 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.237 17.647 -1.466 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.975 17.377 -1.850 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.666 17.630 -4.938 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.182 17.539 -5.891 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.072 17.260 -3.080 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.155 17.330 -4.843 1.00 0.00 H new ATOM 553 N PHE A 38 -7.302 14.754 -1.715 1.00 0.00 N ATOM 554 CA PHE A 38 -7.198 13.654 -0.763 1.00 0.00 C ATOM 555 C PHE A 38 -5.800 13.043 -0.788 1.00 0.00 C ATOM 556 O PHE A 38 -5.245 12.781 -1.856 1.00 0.00 O ATOM 557 CB PHE A 38 -8.242 12.580 -1.076 1.00 0.00 C ATOM 558 CG PHE A 38 -9.596 12.873 -0.495 1.00 0.00 C ATOM 559 CD1 PHE A 38 -10.410 13.843 -1.055 1.00 0.00 C ATOM 560 CD2 PHE A 38 -10.053 12.177 0.613 1.00 0.00 C ATOM 561 CE1 PHE A 38 -11.657 14.114 -0.523 1.00 0.00 C ATOM 562 CE2 PHE A 38 -11.299 12.444 1.150 1.00 0.00 C ATOM 563 CZ PHE A 38 -12.101 13.414 0.582 1.00 0.00 C ATOM 0 H PHE A 38 -7.660 14.486 -2.632 1.00 0.00 H new ATOM 0 HA PHE A 38 -7.384 14.052 0.235 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.334 12.478 -2.157 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.891 11.621 -0.694 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.067 14.395 -1.918 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -9.429 11.418 1.062 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -12.283 14.872 -0.971 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.645 11.894 2.013 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.074 13.625 1.001 1.00 0.00 H new ATOM 573 N ILE A 39 -5.237 12.820 0.394 1.00 0.00 N ATOM 574 CA ILE A 39 -3.905 12.240 0.508 1.00 0.00 C ATOM 575 C ILE A 39 -3.899 11.063 1.479 1.00 0.00 C ATOM 576 O ILE A 39 -4.385 11.172 2.605 1.00 0.00 O ATOM 577 CB ILE A 39 -2.874 13.283 0.977 1.00 0.00 C ATOM 578 CG1 ILE A 39 -2.850 14.475 0.018 1.00 0.00 C ATOM 579 CG2 ILE A 39 -1.494 12.654 1.084 1.00 0.00 C ATOM 580 CD1 ILE A 39 -2.276 14.144 -1.342 1.00 0.00 C ATOM 0 H ILE A 39 -5.683 13.032 1.287 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.628 11.890 -0.486 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.165 13.641 1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.865 14.851 -0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.265 15.279 0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.777 13.404 1.417 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.522 11.835 1.803 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.192 12.271 0.109 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.290 15.035 -1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.249 13.796 -1.229 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.875 13.362 -1.809 1.00 0.00 H new ATOM 592 N CYS A 40 -3.343 9.941 1.036 1.00 0.00 N ATOM 593 CA CYS A 40 -3.272 8.744 1.866 1.00 0.00 C ATOM 594 C CYS A 40 -1.825 8.301 2.059 1.00 0.00 C ATOM 595 O CYS A 40 -0.980 8.505 1.187 1.00 0.00 O ATOM 596 CB CYS A 40 -4.084 7.612 1.235 1.00 0.00 C ATOM 597 SG CYS A 40 -5.864 7.724 1.538 1.00 0.00 S ATOM 0 H CYS A 40 -2.935 9.835 0.107 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.693 8.983 2.842 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.909 7.609 0.159 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.720 6.659 1.620 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.131 7.273 2.728 1.00 0.00 H new ATOM 603 N LYS A 41 -1.546 7.695 3.208 1.00 0.00 N ATOM 604 CA LYS A 41 -0.201 7.224 3.518 1.00 0.00 C ATOM 605 C LYS A 41 -0.240 5.818 4.109 1.00 0.00 C ATOM 606 O LYS A 41 -0.816 5.599 5.175 1.00 0.00 O ATOM 607 CB LYS A 41 0.485 8.180 4.495 1.00 0.00 C ATOM 608 CG LYS A 41 1.173 9.353 3.817 1.00 0.00 C ATOM 609 CD LYS A 41 0.202 10.491 3.552 1.00 0.00 C ATOM 610 CE LYS A 41 0.030 11.374 4.778 1.00 0.00 C ATOM 611 NZ LYS A 41 1.264 12.152 5.079 1.00 0.00 N ATOM 0 H LYS A 41 -2.234 7.518 3.940 1.00 0.00 H new ATOM 0 HA LYS A 41 0.369 7.194 2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.256 8.561 5.198 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.221 7.625 5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.990 9.709 4.445 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.614 9.023 2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.563 11.092 2.717 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.765 10.084 3.257 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.802 12.060 4.618 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.228 10.756 5.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.021 12.976 5.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.938 11.549 5.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.696 12.476 4.190 1.00 0.00 H new ATOM 625 N CYS A 42 0.376 4.871 3.411 1.00 0.00 N ATOM 626 CA CYS A 42 0.412 3.486 3.867 1.00 0.00 C ATOM 627 C CYS A 42 1.703 3.197 4.627 1.00 0.00 C ATOM 628 O CYS A 42 2.777 3.100 4.033 1.00 0.00 O ATOM 629 CB CYS A 42 0.280 2.532 2.679 1.00 0.00 C ATOM 630 SG CYS A 42 0.122 0.791 3.144 1.00 0.00 S ATOM 0 H CYS A 42 0.857 5.037 2.527 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.429 3.330 4.543 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.591 2.820 2.090 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.152 2.647 2.035 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.129 0.441 3.096 1.00 0.00 H new ATOM 636 N LYS A 43 1.591 3.062 5.944 1.00 0.00 N ATOM 637 CA LYS A 43 2.748 2.784 6.786 1.00 0.00 C ATOM 638 C LYS A 43 2.685 1.368 7.348 1.00 0.00 C ATOM 639 O LYS A 43 1.617 0.889 7.731 1.00 0.00 O ATOM 640 CB LYS A 43 2.825 3.796 7.931 1.00 0.00 C ATOM 641 CG LYS A 43 3.622 5.043 7.589 1.00 0.00 C ATOM 642 CD LYS A 43 3.330 6.175 8.559 1.00 0.00 C ATOM 643 CE LYS A 43 2.087 6.952 8.151 1.00 0.00 C ATOM 644 NZ LYS A 43 2.136 8.364 8.622 1.00 0.00 N ATOM 0 H LYS A 43 0.710 3.141 6.452 1.00 0.00 H new ATOM 0 HA LYS A 43 3.643 2.871 6.171 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.814 4.088 8.215 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.274 3.315 8.800 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.687 4.812 7.608 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.383 5.362 6.574 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.195 5.770 9.562 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.185 6.850 8.600 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.988 6.934 7.066 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.203 6.463 8.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.272 8.860 8.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.205 8.382 9.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.966 8.838 8.212 1.00 0.00 H new ATOM 658 N ILE A 44 3.835 0.703 7.396 1.00 0.00 N ATOM 659 CA ILE A 44 3.909 -0.657 7.914 1.00 0.00 C ATOM 660 C ILE A 44 4.719 -0.710 9.205 1.00 0.00 C ATOM 661 O ILE A 44 5.947 -0.638 9.183 1.00 0.00 O ATOM 662 CB ILE A 44 4.539 -1.617 6.887 1.00 0.00 C ATOM 663 CG1 ILE A 44 4.005 -1.320 5.484 1.00 0.00 C ATOM 664 CG2 ILE A 44 4.258 -3.062 7.271 1.00 0.00 C ATOM 665 CD1 ILE A 44 2.629 -1.894 5.227 1.00 0.00 C ATOM 0 H ILE A 44 4.728 1.084 7.082 1.00 0.00 H new ATOM 0 HA ILE A 44 2.886 -0.974 8.116 1.00 0.00 H new ATOM 0 HB ILE A 44 5.618 -1.465 6.884 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.973 -0.240 5.337 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.701 -1.721 4.747 1.00 0.00 H new ATOM 0 HG21 ILE A 44 4.709 -3.728 6.536 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.682 -3.266 8.254 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.181 -3.228 7.298 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.314 -1.645 4.214 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.660 -2.978 5.341 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.920 -1.474 5.941 1.00 0.00 H new ATOM 677 N GLY A 45 4.021 -0.838 10.329 1.00 0.00 N ATOM 678 CA GLY A 45 4.692 -0.901 11.615 1.00 0.00 C ATOM 679 C GLY A 45 5.376 0.403 11.976 1.00 0.00 C ATOM 680 O GLY A 45 6.554 0.414 12.333 1.00 0.00 O ATOM 0 H GLY A 45 3.004 -0.899 10.373 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.966 -1.153 12.388 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.431 -1.702 11.597 1.00 0.00 H new ATOM 684 N GLN A 46 4.636 1.503 11.882 1.00 0.00 N ATOM 685 CA GLN A 46 5.180 2.818 12.200 1.00 0.00 C ATOM 686 C GLN A 46 6.338 3.167 11.270 1.00 0.00 C ATOM 687 O GLN A 46 7.212 3.960 11.620 1.00 0.00 O ATOM 688 CB GLN A 46 5.649 2.862 13.655 1.00 0.00 C ATOM 689 CG GLN A 46 4.524 2.679 14.662 1.00 0.00 C ATOM 690 CD GLN A 46 5.030 2.284 16.036 1.00 0.00 C ATOM 691 OE1 GLN A 46 6.207 2.459 16.351 1.00 0.00 O ATOM 692 NE2 GLN A 46 4.140 1.747 16.862 1.00 0.00 N ATOM 0 H GLN A 46 3.659 1.510 11.589 1.00 0.00 H new ATOM 0 HA GLN A 46 4.389 3.554 12.059 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.396 2.083 13.811 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.140 3.817 13.841 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.957 3.607 14.740 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.837 1.915 14.299 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.174 1.620 16.559 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.422 1.461 17.800 1.00 0.00 H new ATOM 701 N THR A 47 6.338 2.569 10.083 1.00 0.00 N ATOM 702 CA THR A 47 7.389 2.815 9.103 1.00 0.00 C ATOM 703 C THR A 47 6.804 3.288 7.777 1.00 0.00 C ATOM 704 O THR A 47 5.856 2.698 7.260 1.00 0.00 O ATOM 705 CB THR A 47 8.234 1.552 8.857 1.00 0.00 C ATOM 706 OG1 THR A 47 8.966 1.214 10.040 1.00 0.00 O ATOM 707 CG2 THR A 47 9.200 1.764 7.700 1.00 0.00 C ATOM 0 H THR A 47 5.622 1.911 9.777 1.00 0.00 H new ATOM 0 HA THR A 47 8.028 3.596 9.514 1.00 0.00 H new ATOM 0 HB THR A 47 7.560 0.735 8.602 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.500 0.409 9.876 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.786 0.858 7.545 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.638 1.992 6.794 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.868 2.594 7.931 1.00 0.00 H new ATOM 715 N MET A 48 7.376 4.356 7.231 1.00 0.00 N ATOM 716 CA MET A 48 6.911 4.907 5.962 1.00 0.00 C ATOM 717 C MET A 48 7.272 3.982 4.804 1.00 0.00 C ATOM 718 O MET A 48 8.447 3.701 4.564 1.00 0.00 O ATOM 719 CB MET A 48 7.516 6.293 5.732 1.00 0.00 C ATOM 720 CG MET A 48 6.822 7.084 4.635 1.00 0.00 C ATOM 721 SD MET A 48 7.374 8.799 4.560 1.00 0.00 S ATOM 722 CE MET A 48 5.811 9.649 4.355 1.00 0.00 C ATOM 0 H MET A 48 8.161 4.857 7.646 1.00 0.00 H new ATOM 0 HA MET A 48 5.826 4.996 6.008 1.00 0.00 H new ATOM 0 HB2 MET A 48 7.470 6.860 6.662 1.00 0.00 H new ATOM 0 HB3 MET A 48 8.570 6.183 5.478 1.00 0.00 H new ATOM 0 HG2 MET A 48 7.007 6.604 3.674 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.745 7.060 4.801 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.951 10.517 3.711 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.086 8.973 3.901 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.444 9.975 5.328 1.00 0.00 H new ATOM 732 N TYR A 49 6.256 3.513 4.089 1.00 0.00 N ATOM 733 CA TYR A 49 6.466 2.618 2.957 1.00 0.00 C ATOM 734 C TYR A 49 6.049 3.286 1.650 1.00 0.00 C ATOM 735 O TYR A 49 6.864 3.474 0.748 1.00 0.00 O ATOM 736 CB TYR A 49 5.681 1.320 3.153 1.00 0.00 C ATOM 737 CG TYR A 49 6.447 0.257 3.906 1.00 0.00 C ATOM 738 CD1 TYR A 49 7.019 0.529 5.143 1.00 0.00 C ATOM 739 CD2 TYR A 49 6.601 -1.020 3.381 1.00 0.00 C ATOM 740 CE1 TYR A 49 7.721 -0.439 5.835 1.00 0.00 C ATOM 741 CE2 TYR A 49 7.300 -1.995 4.066 1.00 0.00 C ATOM 742 CZ TYR A 49 7.858 -1.700 5.293 1.00 0.00 C ATOM 743 OH TYR A 49 8.556 -2.668 5.977 1.00 0.00 O ATOM 0 H TYR A 49 5.278 3.738 4.273 1.00 0.00 H new ATOM 0 HA TYR A 49 7.530 2.386 2.902 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.759 1.541 3.690 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.395 0.927 2.177 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.913 1.515 5.571 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.167 -1.255 2.420 1.00 0.00 H new ATOM 0 HE1 TYR A 49 8.160 -0.210 6.795 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.409 -2.983 3.643 1.00 0.00 H new ATOM 0 HH TYR A 49 8.557 -3.499 5.457 1.00 0.00 H new ATOM 753 N GLY A 50 4.772 3.642 1.556 1.00 0.00 N ATOM 754 CA GLY A 50 4.267 4.286 0.357 1.00 0.00 C ATOM 755 C GLY A 50 3.251 5.368 0.664 1.00 0.00 C ATOM 756 O GLY A 50 2.434 5.224 1.574 1.00 0.00 O ATOM 0 H GLY A 50 4.078 3.496 2.289 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.100 4.720 -0.197 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.811 3.536 -0.290 1.00 0.00 H new ATOM 760 N THR A 51 3.301 6.457 -0.097 1.00 0.00 N ATOM 761 CA THR A 51 2.380 7.570 0.099 1.00 0.00 C ATOM 762 C THR A 51 1.562 7.834 -1.159 1.00 0.00 C ATOM 763 O THR A 51 2.106 8.202 -2.199 1.00 0.00 O ATOM 764 CB THR A 51 3.130 8.857 0.491 1.00 0.00 C ATOM 765 OG1 THR A 51 3.617 8.751 1.833 1.00 0.00 O ATOM 766 CG2 THR A 51 2.221 10.071 0.370 1.00 0.00 C ATOM 0 H THR A 51 3.970 6.592 -0.855 1.00 0.00 H new ATOM 0 HA THR A 51 1.710 7.288 0.911 1.00 0.00 H new ATOM 0 HB THR A 51 3.971 8.983 -0.191 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.344 8.094 1.866 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.772 10.968 0.652 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.876 10.166 -0.660 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.363 9.950 1.031 1.00 0.00 H new ATOM 774 N GLY A 52 0.249 7.646 -1.057 1.00 0.00 N ATOM 775 CA GLY A 52 -0.623 7.870 -2.194 1.00 0.00 C ATOM 776 C GLY A 52 -1.297 9.227 -2.150 1.00 0.00 C ATOM 777 O GLY A 52 -1.628 9.728 -1.075 1.00 0.00 O ATOM 0 H GLY A 52 -0.225 7.342 -0.207 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.044 7.785 -3.114 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.384 7.091 -2.223 1.00 0.00 H new ATOM 781 N SER A 53 -1.500 9.824 -3.320 1.00 0.00 N ATOM 782 CA SER A 53 -2.133 11.134 -3.410 1.00 0.00 C ATOM 783 C SER A 53 -3.077 11.200 -4.607 1.00 0.00 C ATOM 784 O SER A 53 -2.790 10.650 -5.669 1.00 0.00 O ATOM 785 CB SER A 53 -1.073 12.231 -3.521 1.00 0.00 C ATOM 786 OG SER A 53 -0.292 12.069 -4.693 1.00 0.00 O ATOM 0 H SER A 53 -1.235 9.421 -4.219 1.00 0.00 H new ATOM 0 HA SER A 53 -2.714 11.292 -2.501 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.556 13.208 -3.534 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.427 12.207 -2.643 1.00 0.00 H new ATOM 0 HG SER A 53 0.377 12.783 -4.742 1.00 0.00 H new ATOM 792 N GLY A 54 -4.206 11.879 -4.426 1.00 0.00 N ATOM 793 CA GLY A 54 -5.176 12.005 -5.498 1.00 0.00 C ATOM 794 C GLY A 54 -6.327 12.920 -5.134 1.00 0.00 C ATOM 795 O GLY A 54 -6.273 13.629 -4.129 1.00 0.00 O ATOM 0 H GLY A 54 -4.466 12.344 -3.556 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.680 12.388 -6.390 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.566 11.018 -5.749 1.00 0.00 H new ATOM 799 N VAL A 55 -7.374 12.907 -5.953 1.00 0.00 N ATOM 800 CA VAL A 55 -8.544 13.743 -5.712 1.00 0.00 C ATOM 801 C VAL A 55 -9.614 12.981 -4.939 1.00 0.00 C ATOM 802 O VAL A 55 -10.472 13.579 -4.289 1.00 0.00 O ATOM 803 CB VAL A 55 -9.149 14.256 -7.033 1.00 0.00 C ATOM 804 CG1 VAL A 55 -8.148 15.130 -7.774 1.00 0.00 C ATOM 805 CG2 VAL A 55 -9.598 13.091 -7.901 1.00 0.00 C ATOM 0 H VAL A 55 -7.436 12.326 -6.789 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.208 14.594 -5.120 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.024 14.864 -6.801 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.592 15.483 -8.704 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.881 15.984 -7.152 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.253 14.549 -7.997 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.023 13.472 -8.830 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.742 12.455 -8.127 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.351 12.510 -7.369 1.00 0.00 H new ATOM 815 N THR A 56 -9.558 11.654 -5.013 1.00 0.00 N ATOM 816 CA THR A 56 -10.522 10.809 -4.320 1.00 0.00 C ATOM 817 C THR A 56 -9.821 9.797 -3.422 1.00 0.00 C ATOM 818 O THR A 56 -8.813 9.203 -3.807 1.00 0.00 O ATOM 819 CB THR A 56 -11.426 10.056 -5.315 1.00 0.00 C ATOM 820 OG1 THR A 56 -11.711 10.889 -6.445 1.00 0.00 O ATOM 821 CG2 THR A 56 -12.727 9.632 -4.651 1.00 0.00 C ATOM 0 H THR A 56 -8.855 11.142 -5.546 1.00 0.00 H new ATOM 0 HA THR A 56 -11.137 11.468 -3.708 1.00 0.00 H new ATOM 0 HB THR A 56 -10.898 9.162 -5.646 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.285 10.403 -7.074 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.348 9.102 -5.373 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.509 8.975 -3.809 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.258 10.515 -4.294 1.00 0.00 H new ATOM 829 N LYS A 57 -10.360 9.603 -2.223 1.00 0.00 N ATOM 830 CA LYS A 57 -9.787 8.660 -1.270 1.00 0.00 C ATOM 831 C LYS A 57 -9.240 7.428 -1.984 1.00 0.00 C ATOM 832 O LYS A 57 -8.056 7.112 -1.876 1.00 0.00 O ATOM 833 CB LYS A 57 -10.840 8.241 -0.241 1.00 0.00 C ATOM 834 CG LYS A 57 -10.981 9.215 0.916 1.00 0.00 C ATOM 835 CD LYS A 57 -11.988 8.721 1.941 1.00 0.00 C ATOM 836 CE LYS A 57 -11.431 7.566 2.758 1.00 0.00 C ATOM 837 NZ LYS A 57 -10.323 8.002 3.652 1.00 0.00 N ATOM 0 H LYS A 57 -11.193 10.087 -1.888 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.963 9.156 -0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.804 8.141 -0.740 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.581 7.258 0.152 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.012 9.355 1.395 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.293 10.188 0.537 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.263 9.539 2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.899 8.403 1.434 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.229 7.127 3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.070 6.787 2.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.164 7.281 4.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.454 8.125 3.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.575 8.905 4.103 1.00 0.00 H new ATOM 851 N GLN A 58 -10.111 6.738 -2.714 1.00 0.00 N ATOM 852 CA GLN A 58 -9.714 5.541 -3.446 1.00 0.00 C ATOM 853 C GLN A 58 -8.366 5.744 -4.131 1.00 0.00 C ATOM 854 O GLN A 58 -7.393 5.058 -3.821 1.00 0.00 O ATOM 855 CB GLN A 58 -10.777 5.176 -4.484 1.00 0.00 C ATOM 856 CG GLN A 58 -10.547 3.824 -5.140 1.00 0.00 C ATOM 857 CD GLN A 58 -11.681 3.424 -6.064 1.00 0.00 C ATOM 858 OE1 GLN A 58 -12.023 4.151 -6.997 1.00 0.00 O ATOM 859 NE2 GLN A 58 -12.271 2.262 -5.808 1.00 0.00 N ATOM 0 H GLN A 58 -11.095 6.987 -2.814 1.00 0.00 H new ATOM 0 HA GLN A 58 -9.619 4.724 -2.731 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -11.756 5.176 -4.005 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -10.799 5.946 -5.255 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -9.615 3.852 -5.705 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -10.428 3.065 -4.367 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -11.955 1.691 -5.024 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -13.040 1.940 -6.396 1.00 0.00 H new ATOM 868 N GLU A 59 -8.318 6.690 -5.063 1.00 0.00 N ATOM 869 CA GLU A 59 -7.090 6.982 -5.793 1.00 0.00 C ATOM 870 C GLU A 59 -5.877 6.899 -4.870 1.00 0.00 C ATOM 871 O GLU A 59 -4.975 6.090 -5.085 1.00 0.00 O ATOM 872 CB GLU A 59 -7.166 8.371 -6.429 1.00 0.00 C ATOM 873 CG GLU A 59 -6.065 8.638 -7.442 1.00 0.00 C ATOM 874 CD GLU A 59 -6.432 9.729 -8.429 1.00 0.00 C ATOM 875 OE1 GLU A 59 -7.587 9.735 -8.904 1.00 0.00 O ATOM 876 OE2 GLU A 59 -5.564 10.577 -8.726 1.00 0.00 O ATOM 0 H GLU A 59 -9.115 7.267 -5.331 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.979 6.236 -6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.133 8.485 -6.918 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.115 9.124 -5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.153 8.921 -6.916 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.847 7.719 -7.986 1.00 0.00 H new ATOM 883 N ALA A 60 -5.863 7.742 -3.843 1.00 0.00 N ATOM 884 CA ALA A 60 -4.763 7.764 -2.887 1.00 0.00 C ATOM 885 C ALA A 60 -4.631 6.424 -2.172 1.00 0.00 C ATOM 886 O ALA A 60 -3.656 5.698 -2.366 1.00 0.00 O ATOM 887 CB ALA A 60 -4.963 8.886 -1.878 1.00 0.00 C ATOM 0 H ALA A 60 -6.601 8.419 -3.652 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.839 7.945 -3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.134 8.891 -1.170 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.000 9.842 -2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.898 8.730 -1.341 1.00 0.00 H new ATOM 893 N LYS A 61 -5.618 6.101 -1.343 1.00 0.00 N ATOM 894 CA LYS A 61 -5.613 4.848 -0.598 1.00 0.00 C ATOM 895 C LYS A 61 -5.161 3.691 -1.483 1.00 0.00 C ATOM 896 O LYS A 61 -4.679 2.672 -0.989 1.00 0.00 O ATOM 897 CB LYS A 61 -7.006 4.560 -0.035 1.00 0.00 C ATOM 898 CG LYS A 61 -7.002 3.588 1.132 1.00 0.00 C ATOM 899 CD LYS A 61 -6.832 4.310 2.458 1.00 0.00 C ATOM 900 CE LYS A 61 -7.498 3.550 3.596 1.00 0.00 C ATOM 901 NZ LYS A 61 -7.012 2.144 3.682 1.00 0.00 N ATOM 0 H LYS A 61 -6.432 6.691 -1.170 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.908 4.948 0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.460 5.498 0.286 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.634 4.157 -0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.935 3.024 1.141 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.195 2.867 1.003 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.771 4.433 2.673 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.261 5.310 2.387 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.301 4.061 4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.578 3.553 3.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.254 1.749 4.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.462 1.575 2.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.980 2.125 3.556 1.00 0.00 H new ATOM 915 N GLN A 62 -5.320 3.856 -2.792 1.00 0.00 N ATOM 916 CA GLN A 62 -4.927 2.825 -3.745 1.00 0.00 C ATOM 917 C GLN A 62 -3.436 2.908 -4.054 1.00 0.00 C ATOM 918 O GLN A 62 -2.658 2.043 -3.648 1.00 0.00 O ATOM 919 CB GLN A 62 -5.735 2.960 -5.037 1.00 0.00 C ATOM 920 CG GLN A 62 -7.197 2.571 -4.884 1.00 0.00 C ATOM 921 CD GLN A 62 -7.431 1.088 -5.097 1.00 0.00 C ATOM 922 OE1 GLN A 62 -7.985 0.405 -4.235 1.00 0.00 O ATOM 923 NE2 GLN A 62 -7.011 0.582 -6.250 1.00 0.00 N ATOM 0 H GLN A 62 -5.718 4.694 -3.217 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.133 1.854 -3.295 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.677 3.991 -5.386 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.280 2.336 -5.807 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.541 2.850 -3.888 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.796 3.136 -5.598 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.557 1.185 -6.936 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.143 -0.410 -6.450 1.00 0.00 H new ATOM 932 N LEU A 63 -3.043 3.953 -4.773 1.00 0.00 N ATOM 933 CA LEU A 63 -1.644 4.149 -5.137 1.00 0.00 C ATOM 934 C LEU A 63 -0.736 3.968 -3.925 1.00 0.00 C ATOM 935 O LEU A 63 0.281 3.279 -3.996 1.00 0.00 O ATOM 936 CB LEU A 63 -1.442 5.543 -5.735 1.00 0.00 C ATOM 937 CG LEU A 63 -2.285 5.872 -6.968 1.00 0.00 C ATOM 938 CD1 LEU A 63 -2.583 7.362 -7.028 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.577 5.416 -8.235 1.00 0.00 C ATOM 0 H LEU A 63 -3.673 4.678 -5.116 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.380 3.399 -5.882 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.658 6.282 -4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.390 5.655 -5.998 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.231 5.336 -6.892 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.184 7.578 -7.912 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.132 7.660 -6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.647 7.918 -7.081 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.191 5.658 -9.102 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.616 5.924 -8.318 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.416 4.339 -8.194 1.00 0.00 H new ATOM 951 N ALA A 64 -1.111 4.590 -2.812 1.00 0.00 N ATOM 952 CA ALA A 64 -0.333 4.493 -1.583 1.00 0.00 C ATOM 953 C ALA A 64 0.275 3.104 -1.426 1.00 0.00 C ATOM 954 O ALA A 64 1.341 2.946 -0.831 1.00 0.00 O ATOM 955 CB ALA A 64 -1.202 4.830 -0.380 1.00 0.00 C ATOM 0 H ALA A 64 -1.949 5.167 -2.736 1.00 0.00 H new ATOM 0 HA ALA A 64 0.483 5.213 -1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.608 4.753 0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.584 5.846 -0.480 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.038 4.132 -0.328 1.00 0.00 H new ATOM 961 N ALA A 65 -0.409 2.099 -1.963 1.00 0.00 N ATOM 962 CA ALA A 65 0.065 0.723 -1.883 1.00 0.00 C ATOM 963 C ALA A 65 1.076 0.426 -2.986 1.00 0.00 C ATOM 964 O ALA A 65 2.145 -0.128 -2.729 1.00 0.00 O ATOM 965 CB ALA A 65 -1.107 -0.245 -1.965 1.00 0.00 C ATOM 0 H ALA A 65 -1.293 2.212 -2.458 1.00 0.00 H new ATOM 0 HA ALA A 65 0.564 0.592 -0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.738 -1.269 -1.904 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.793 -0.057 -1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.630 -0.104 -2.911 1.00 0.00 H new ATOM 971 N LYS A 66 0.731 0.797 -4.214 1.00 0.00 N ATOM 972 CA LYS A 66 1.608 0.571 -5.357 1.00 0.00 C ATOM 973 C LYS A 66 3.069 0.778 -4.970 1.00 0.00 C ATOM 974 O LYS A 66 3.938 -0.005 -5.352 1.00 0.00 O ATOM 975 CB LYS A 66 1.235 1.511 -6.506 1.00 0.00 C ATOM 976 CG LYS A 66 1.929 1.177 -7.815 1.00 0.00 C ATOM 977 CD LYS A 66 1.193 1.771 -9.004 1.00 0.00 C ATOM 978 CE LYS A 66 1.814 1.331 -10.320 1.00 0.00 C ATOM 979 NZ LYS A 66 2.998 2.159 -10.680 1.00 0.00 N ATOM 0 H LYS A 66 -0.151 1.256 -4.444 1.00 0.00 H new ATOM 0 HA LYS A 66 1.480 -0.461 -5.684 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.156 1.476 -6.657 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.484 2.534 -6.223 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.951 1.555 -7.793 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.992 0.095 -7.929 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.147 1.467 -8.975 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.211 2.859 -8.938 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.111 0.285 -10.249 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.069 1.398 -11.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.392 1.827 -11.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.710 3.154 -10.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.720 2.075 -9.936 1.00 0.00 H new ATOM 993 N GLU A 67 3.331 1.837 -4.210 1.00 0.00 N ATOM 994 CA GLU A 67 4.688 2.145 -3.772 1.00 0.00 C ATOM 995 C GLU A 67 5.108 1.234 -2.622 1.00 0.00 C ATOM 996 O GLU A 67 6.205 0.677 -2.627 1.00 0.00 O ATOM 997 CB GLU A 67 4.788 3.609 -3.340 1.00 0.00 C ATOM 998 CG GLU A 67 4.394 4.593 -4.429 1.00 0.00 C ATOM 999 CD GLU A 67 5.559 4.972 -5.322 1.00 0.00 C ATOM 1000 OE1 GLU A 67 5.799 4.258 -6.318 1.00 0.00 O ATOM 1001 OE2 GLU A 67 6.230 5.983 -5.026 1.00 0.00 O ATOM 0 H GLU A 67 2.623 2.495 -3.885 1.00 0.00 H new ATOM 0 HA GLU A 67 5.361 1.975 -4.612 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.150 3.767 -2.471 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.811 3.817 -3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.601 4.158 -5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.985 5.493 -3.970 1.00 0.00 H new ATOM 1008 N ALA A 68 4.227 1.089 -1.637 1.00 0.00 N ATOM 1009 CA ALA A 68 4.505 0.245 -0.482 1.00 0.00 C ATOM 1010 C ALA A 68 5.005 -1.130 -0.913 1.00 0.00 C ATOM 1011 O ALA A 68 6.055 -1.588 -0.462 1.00 0.00 O ATOM 1012 CB ALA A 68 3.261 0.109 0.384 1.00 0.00 C ATOM 0 H ALA A 68 3.315 1.545 -1.616 1.00 0.00 H new ATOM 0 HA ALA A 68 5.292 0.721 0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.483 -0.524 1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.949 1.094 0.730 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.458 -0.341 -0.200 1.00 0.00 H new ATOM 1018 N TYR A 69 4.247 -1.782 -1.786 1.00 0.00 N ATOM 1019 CA TYR A 69 4.611 -3.106 -2.276 1.00 0.00 C ATOM 1020 C TYR A 69 6.080 -3.150 -2.687 1.00 0.00 C ATOM 1021 O TYR A 69 6.800 -4.091 -2.355 1.00 0.00 O ATOM 1022 CB TYR A 69 3.727 -3.497 -3.461 1.00 0.00 C ATOM 1023 CG TYR A 69 3.958 -4.908 -3.950 1.00 0.00 C ATOM 1024 CD1 TYR A 69 3.902 -5.986 -3.075 1.00 0.00 C ATOM 1025 CD2 TYR A 69 4.233 -5.165 -5.288 1.00 0.00 C ATOM 1026 CE1 TYR A 69 4.114 -7.277 -3.517 1.00 0.00 C ATOM 1027 CE2 TYR A 69 4.444 -6.453 -5.739 1.00 0.00 C ATOM 1028 CZ TYR A 69 4.384 -7.506 -4.850 1.00 0.00 C ATOM 1029 OH TYR A 69 4.595 -8.791 -5.295 1.00 0.00 O ATOM 0 H TYR A 69 3.376 -1.415 -2.170 1.00 0.00 H new ATOM 0 HA TYR A 69 4.457 -3.819 -1.466 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.681 -3.388 -3.175 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.907 -2.803 -4.282 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.689 -5.811 -2.031 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.283 -4.343 -5.987 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.069 -8.103 -2.823 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.655 -6.635 -6.782 1.00 0.00 H new ATOM 0 HH TYR A 69 4.771 -8.779 -6.259 1.00 0.00 H new ATOM 1039 N GLN A 70 6.516 -2.124 -3.411 1.00 0.00 N ATOM 1040 CA GLN A 70 7.898 -2.044 -3.867 1.00 0.00 C ATOM 1041 C GLN A 70 8.858 -1.967 -2.685 1.00 0.00 C ATOM 1042 O GLN A 70 9.893 -2.635 -2.667 1.00 0.00 O ATOM 1043 CB GLN A 70 8.088 -0.827 -4.774 1.00 0.00 C ATOM 1044 CG GLN A 70 7.268 -0.886 -6.053 1.00 0.00 C ATOM 1045 CD GLN A 70 7.354 0.393 -6.861 1.00 0.00 C ATOM 1046 OE1 GLN A 70 7.382 1.491 -6.306 1.00 0.00 O ATOM 1047 NE2 GLN A 70 7.398 0.257 -8.182 1.00 0.00 N ATOM 0 H GLN A 70 5.932 -1.337 -3.694 1.00 0.00 H new ATOM 0 HA GLN A 70 8.120 -2.949 -4.433 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.819 0.073 -4.221 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.143 -0.739 -5.033 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.613 -1.721 -6.663 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.226 -1.084 -5.803 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.372 -0.673 -8.600 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.457 1.083 -8.778 1.00 0.00 H new ATOM 1056 N LYS A 71 8.510 -1.148 -1.698 1.00 0.00 N ATOM 1057 CA LYS A 71 9.340 -0.984 -0.511 1.00 0.00 C ATOM 1058 C LYS A 71 9.698 -2.338 0.094 1.00 0.00 C ATOM 1059 O LYS A 71 10.788 -2.517 0.639 1.00 0.00 O ATOM 1060 CB LYS A 71 8.616 -0.124 0.528 1.00 0.00 C ATOM 1061 CG LYS A 71 9.391 0.048 1.822 1.00 0.00 C ATOM 1062 CD LYS A 71 10.307 1.259 1.767 1.00 0.00 C ATOM 1063 CE LYS A 71 11.681 0.896 1.226 1.00 0.00 C ATOM 1064 NZ LYS A 71 12.270 -0.268 1.945 1.00 0.00 N ATOM 0 H LYS A 71 7.658 -0.587 -1.697 1.00 0.00 H new ATOM 0 HA LYS A 71 10.262 -0.484 -0.809 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.418 0.859 0.100 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.649 -0.575 0.751 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.694 0.155 2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.982 -0.848 2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.858 2.027 1.137 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.409 1.685 2.765 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.604 0.665 0.163 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.346 1.755 1.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.308 -0.214 1.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.963 -0.254 2.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.951 -1.151 1.497 1.00 0.00 H new ATOM 1078 N LEU A 72 8.775 -3.288 -0.006 1.00 0.00 N ATOM 1079 CA LEU A 72 8.994 -4.627 0.531 1.00 0.00 C ATOM 1080 C LEU A 72 9.968 -5.410 -0.342 1.00 0.00 C ATOM 1081 O LEU A 72 10.948 -5.972 0.151 1.00 0.00 O ATOM 1082 CB LEU A 72 7.666 -5.379 0.635 1.00 0.00 C ATOM 1083 CG LEU A 72 6.887 -5.190 1.937 1.00 0.00 C ATOM 1084 CD1 LEU A 72 5.503 -5.810 1.826 1.00 0.00 C ATOM 1085 CD2 LEU A 72 7.651 -5.791 3.107 1.00 0.00 C ATOM 0 H LEU A 72 7.868 -3.156 -0.454 1.00 0.00 H new ATOM 0 HA LEU A 72 9.427 -4.527 1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.030 -5.068 -0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.863 -6.443 0.504 1.00 0.00 H new ATOM 0 HG LEU A 72 6.770 -4.121 2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.963 -5.666 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.955 -5.333 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.597 -6.877 1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.082 -5.647 4.025 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.800 -6.857 2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.620 -5.300 3.200 1.00 0.00 H new ATOM 1097 N LEU A 73 9.696 -5.443 -1.642 1.00 0.00 N ATOM 1098 CA LEU A 73 10.550 -6.156 -2.585 1.00 0.00 C ATOM 1099 C LEU A 73 12.009 -5.745 -2.417 1.00 0.00 C ATOM 1100 O LEU A 73 12.921 -6.528 -2.682 1.00 0.00 O ATOM 1101 CB LEU A 73 10.095 -5.886 -4.021 1.00 0.00 C ATOM 1102 CG LEU A 73 8.617 -6.143 -4.316 1.00 0.00 C ATOM 1103 CD1 LEU A 73 8.318 -5.907 -5.788 1.00 0.00 C ATOM 1104 CD2 LEU A 73 8.231 -7.558 -3.912 1.00 0.00 C ATOM 0 H LEU A 73 8.890 -4.984 -2.067 1.00 0.00 H new ATOM 0 HA LEU A 73 10.466 -7.223 -2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.318 -4.847 -4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.692 -6.504 -4.692 1.00 0.00 H new ATOM 0 HG LEU A 73 8.022 -5.444 -3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.261 -6.095 -5.979 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.556 -4.875 -6.047 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.922 -6.582 -6.395 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.176 -7.723 -4.129 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.833 -8.273 -4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.407 -7.693 -2.845 1.00 0.00 H new ATOM 1116 N LYS A 74 12.224 -4.511 -1.972 1.00 0.00 N ATOM 1117 CA LYS A 74 13.572 -3.996 -1.763 1.00 0.00 C ATOM 1118 C LYS A 74 14.122 -4.443 -0.413 1.00 0.00 C ATOM 1119 O LYS A 74 15.123 -5.156 -0.345 1.00 0.00 O ATOM 1120 CB LYS A 74 13.574 -2.468 -1.847 1.00 0.00 C ATOM 1121 CG LYS A 74 13.448 -1.936 -3.264 1.00 0.00 C ATOM 1122 CD LYS A 74 13.955 -0.508 -3.370 1.00 0.00 C ATOM 1123 CE LYS A 74 14.128 -0.084 -4.821 1.00 0.00 C ATOM 1124 NZ LYS A 74 12.851 0.400 -5.413 1.00 0.00 N ATOM 0 H LYS A 74 11.481 -3.849 -1.749 1.00 0.00 H new ATOM 0 HA LYS A 74 14.214 -4.398 -2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.751 -2.079 -1.247 1.00 0.00 H new ATOM 0 HB3 LYS A 74 14.496 -2.090 -1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 74 14.011 -2.574 -3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.405 -1.977 -3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.256 0.165 -2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.908 -0.419 -2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.878 0.704 -4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.502 -0.926 -5.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.011 0.679 -6.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.142 -0.360 -5.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.507 1.219 -4.873 1.00 0.00 H new ATOM 1138 N SER A 75 13.461 -4.019 0.660 1.00 0.00 N ATOM 1139 CA SER A 75 13.886 -4.374 2.009 1.00 0.00 C ATOM 1140 C SER A 75 12.736 -4.996 2.795 1.00 0.00 C ATOM 1141 O SER A 75 12.009 -4.319 3.522 1.00 0.00 O ATOM 1142 CB SER A 75 14.411 -3.138 2.743 1.00 0.00 C ATOM 1143 OG SER A 75 15.151 -3.505 3.894 1.00 0.00 O ATOM 0 H SER A 75 12.629 -3.430 0.621 1.00 0.00 H new ATOM 0 HA SER A 75 14.688 -5.108 1.929 1.00 0.00 H new ATOM 0 HB2 SER A 75 15.041 -2.553 2.073 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.575 -2.500 3.032 1.00 0.00 H new ATOM 0 HG SER A 75 15.477 -2.698 4.344 1.00 0.00 H new ATOM 1149 N PRO A 76 12.567 -6.319 2.647 1.00 0.00 N ATOM 1150 CA PRO A 76 11.508 -7.063 3.334 1.00 0.00 C ATOM 1151 C PRO A 76 11.751 -7.164 4.836 1.00 0.00 C ATOM 1152 O PRO A 76 12.829 -6.844 5.338 1.00 0.00 O ATOM 1153 CB PRO A 76 11.571 -8.449 2.688 1.00 0.00 C ATOM 1154 CG PRO A 76 12.972 -8.575 2.198 1.00 0.00 C ATOM 1155 CD PRO A 76 13.396 -7.189 1.797 1.00 0.00 C ATOM 0 HA PRO A 76 10.538 -6.575 3.235 1.00 0.00 H new ATOM 0 HB2 PRO A 76 11.331 -9.232 3.407 1.00 0.00 H new ATOM 0 HB3 PRO A 76 10.856 -8.537 1.870 1.00 0.00 H new ATOM 0 HG2 PRO A 76 13.623 -8.973 2.976 1.00 0.00 H new ATOM 0 HG3 PRO A 76 13.030 -9.261 1.353 1.00 0.00 H new ATOM 0 HD2 PRO A 76 14.459 -7.027 1.973 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.217 -7.005 0.738 1.00 0.00 H new ATOM 1163 N PRO A 77 10.727 -7.619 5.574 1.00 0.00 N ATOM 1164 CA PRO A 77 10.807 -7.773 7.029 1.00 0.00 C ATOM 1165 C PRO A 77 11.737 -8.909 7.442 1.00 0.00 C ATOM 1166 O PRO A 77 12.253 -9.641 6.597 1.00 0.00 O ATOM 1167 CB PRO A 77 9.364 -8.090 7.432 1.00 0.00 C ATOM 1168 CG PRO A 77 8.756 -8.695 6.214 1.00 0.00 C ATOM 1169 CD PRO A 77 9.413 -8.019 5.043 1.00 0.00 C ATOM 0 HA PRO A 77 11.213 -6.884 7.511 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.331 -8.780 8.276 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.830 -7.189 7.735 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.924 -9.772 6.188 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.677 -8.541 6.199 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.512 -8.694 4.193 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.838 -7.158 4.702 1.00 0.00 H new ATOM 1177 N LYS A 78 11.947 -9.051 8.746 1.00 0.00 N ATOM 1178 CA LYS A 78 12.814 -10.099 9.272 1.00 0.00 C ATOM 1179 C LYS A 78 12.030 -11.056 10.165 1.00 0.00 C ATOM 1180 O LYS A 78 10.938 -10.732 10.633 1.00 0.00 O ATOM 1181 CB LYS A 78 13.973 -9.484 10.059 1.00 0.00 C ATOM 1182 CG LYS A 78 13.529 -8.483 11.113 1.00 0.00 C ATOM 1183 CD LYS A 78 14.697 -7.659 11.626 1.00 0.00 C ATOM 1184 CE LYS A 78 15.371 -8.326 12.815 1.00 0.00 C ATOM 1185 NZ LYS A 78 14.751 -7.916 14.106 1.00 0.00 N ATOM 0 H LYS A 78 11.528 -8.453 9.459 1.00 0.00 H new ATOM 0 HA LYS A 78 13.214 -10.662 8.429 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.537 -10.282 10.542 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.652 -8.990 9.364 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.773 -7.821 10.692 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.062 -9.011 11.944 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.424 -7.519 10.826 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.346 -6.668 11.914 1.00 0.00 H new ATOM 0 HE2 LYS A 78 15.306 -9.409 12.709 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.430 -8.069 12.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.238 -8.392 14.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.835 -6.886 14.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.746 -8.184 14.109 1.00 0.00 H new ATOM 1199 N THR A 79 12.595 -12.237 10.398 1.00 0.00 N ATOM 1200 CA THR A 79 11.949 -13.240 11.235 1.00 0.00 C ATOM 1201 C THR A 79 11.891 -12.788 12.690 1.00 0.00 C ATOM 1202 O THR A 79 12.918 -12.490 13.299 1.00 0.00 O ATOM 1203 CB THR A 79 12.684 -14.592 11.158 1.00 0.00 C ATOM 1204 OG1 THR A 79 11.916 -15.605 11.819 1.00 0.00 O ATOM 1205 CG2 THR A 79 14.062 -14.496 11.795 1.00 0.00 C ATOM 0 H THR A 79 13.498 -12.522 10.019 1.00 0.00 H new ATOM 0 HA THR A 79 10.935 -13.363 10.856 1.00 0.00 H new ATOM 0 HB THR A 79 12.805 -14.856 10.107 1.00 0.00 H new ATOM 0 HG1 THR A 79 12.389 -16.462 11.764 1.00 0.00 H new ATOM 0 HG21 THR A 79 14.562 -15.462 11.729 1.00 0.00 H new ATOM 0 HG22 THR A 79 14.653 -13.745 11.271 1.00 0.00 H new ATOM 0 HG23 THR A 79 13.960 -14.212 12.842 1.00 0.00 H new ATOM 1213 N ALA A 80 10.683 -12.741 13.242 1.00 0.00 N ATOM 1214 CA ALA A 80 10.492 -12.328 14.627 1.00 0.00 C ATOM 1215 C ALA A 80 9.132 -12.777 15.151 1.00 0.00 C ATOM 1216 O ALA A 80 8.099 -12.502 14.542 1.00 0.00 O ATOM 1217 CB ALA A 80 10.635 -10.818 14.752 1.00 0.00 C ATOM 0 H ALA A 80 9.822 -12.984 12.751 1.00 0.00 H new ATOM 0 HA ALA A 80 11.262 -12.807 15.232 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.490 -10.524 15.791 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.631 -10.519 14.426 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.887 -10.329 14.129 1.00 0.00 H new ATOM 1223 N GLY A 81 9.140 -13.472 16.285 1.00 0.00 N ATOM 1224 CA GLY A 81 7.902 -13.949 16.871 1.00 0.00 C ATOM 1225 C GLY A 81 8.136 -14.875 18.048 1.00 0.00 C ATOM 1226 O GLY A 81 8.684 -15.967 17.890 1.00 0.00 O ATOM 0 H GLY A 81 9.982 -13.713 16.808 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.306 -13.097 17.196 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.322 -14.472 16.111 1.00 0.00 H new ATOM 1230 N THR A 82 7.723 -14.439 19.234 1.00 0.00 N ATOM 1231 CA THR A 82 7.894 -15.235 20.443 1.00 0.00 C ATOM 1232 C THR A 82 6.547 -15.674 21.007 1.00 0.00 C ATOM 1233 O THR A 82 6.350 -16.846 21.328 1.00 0.00 O ATOM 1234 CB THR A 82 8.661 -14.453 21.526 1.00 0.00 C ATOM 1235 OG1 THR A 82 9.900 -13.969 20.996 1.00 0.00 O ATOM 1236 CG2 THR A 82 8.931 -15.332 22.738 1.00 0.00 C ATOM 0 H THR A 82 7.268 -13.539 19.383 1.00 0.00 H new ATOM 0 HA THR A 82 8.472 -16.116 20.163 1.00 0.00 H new ATOM 0 HB THR A 82 8.046 -13.609 21.838 1.00 0.00 H new ATOM 0 HG1 THR A 82 10.381 -13.472 21.690 1.00 0.00 H new ATOM 0 HG21 THR A 82 9.474 -14.759 23.490 1.00 0.00 H new ATOM 0 HG22 THR A 82 7.985 -15.675 23.157 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.528 -16.193 22.437 1.00 0.00 H new ATOM 1244 N SER A 83 5.622 -14.726 21.124 1.00 0.00 N ATOM 1245 CA SER A 83 4.294 -15.015 21.652 1.00 0.00 C ATOM 1246 C SER A 83 3.219 -14.719 20.611 1.00 0.00 C ATOM 1247 O SER A 83 3.514 -14.242 19.516 1.00 0.00 O ATOM 1248 CB SER A 83 4.036 -14.194 22.917 1.00 0.00 C ATOM 1249 OG SER A 83 4.784 -14.695 24.011 1.00 0.00 O ATOM 0 H SER A 83 5.768 -13.752 20.860 1.00 0.00 H new ATOM 0 HA SER A 83 4.251 -16.075 21.901 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.301 -13.152 22.738 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.973 -14.216 23.158 1.00 0.00 H new ATOM 0 HG SER A 83 4.603 -14.152 24.807 1.00 0.00 H new ATOM 1255 N GLY A 84 1.969 -15.005 20.962 1.00 0.00 N ATOM 1256 CA GLY A 84 0.868 -14.764 20.048 1.00 0.00 C ATOM 1257 C GLY A 84 -0.195 -13.864 20.647 1.00 0.00 C ATOM 1258 O GLY A 84 -1.285 -14.310 21.007 1.00 0.00 O ATOM 0 H GLY A 84 1.699 -15.399 21.863 1.00 0.00 H new ATOM 0 HA2 GLY A 84 1.251 -14.310 19.134 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.418 -15.716 19.767 1.00 0.00 H new ATOM 1262 N PRO A 85 0.119 -12.565 20.761 1.00 0.00 N ATOM 1263 CA PRO A 85 -0.805 -11.574 21.321 1.00 0.00 C ATOM 1264 C PRO A 85 -1.994 -11.307 20.405 1.00 0.00 C ATOM 1265 O PRO A 85 -3.100 -11.034 20.872 1.00 0.00 O ATOM 1266 CB PRO A 85 0.061 -10.318 21.455 1.00 0.00 C ATOM 1267 CG PRO A 85 1.131 -10.486 20.433 1.00 0.00 C ATOM 1268 CD PRO A 85 1.399 -11.964 20.352 1.00 0.00 C ATOM 0 HA PRO A 85 -1.242 -11.909 22.262 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -0.521 -9.414 21.274 1.00 0.00 H new ATOM 0 HB3 PRO A 85 0.481 -10.231 22.457 1.00 0.00 H new ATOM 0 HG2 PRO A 85 0.813 -10.094 19.467 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.031 -9.941 20.718 1.00 0.00 H new ATOM 0 HD2 PRO A 85 1.681 -12.267 19.344 1.00 0.00 H new ATOM 0 HD3 PRO A 85 2.212 -12.262 21.014 1.00 0.00 H new ATOM 1276 N SER A 86 -1.759 -11.387 19.099 1.00 0.00 N ATOM 1277 CA SER A 86 -2.811 -11.150 18.117 1.00 0.00 C ATOM 1278 C SER A 86 -4.123 -11.789 18.562 1.00 0.00 C ATOM 1279 O SER A 86 -4.271 -13.011 18.539 1.00 0.00 O ATOM 1280 CB SER A 86 -2.397 -11.705 16.753 1.00 0.00 C ATOM 1281 OG SER A 86 -3.087 -11.046 15.705 1.00 0.00 O ATOM 0 H SER A 86 -0.850 -11.614 18.696 1.00 0.00 H new ATOM 0 HA SER A 86 -2.961 -10.074 18.033 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.322 -11.584 16.618 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.604 -12.774 16.714 1.00 0.00 H new ATOM 0 HG SER A 86 -2.804 -11.417 14.843 1.00 0.00 H new ATOM 1287 N SER A 87 -5.073 -10.953 18.967 1.00 0.00 N ATOM 1288 CA SER A 87 -6.373 -11.435 19.422 1.00 0.00 C ATOM 1289 C SER A 87 -6.957 -12.436 18.430 1.00 0.00 C ATOM 1290 O SER A 87 -6.922 -12.221 17.220 1.00 0.00 O ATOM 1291 CB SER A 87 -7.338 -10.262 19.609 1.00 0.00 C ATOM 1292 OG SER A 87 -7.117 -9.614 20.850 1.00 0.00 O ATOM 0 H SER A 87 -4.968 -9.939 18.990 1.00 0.00 H new ATOM 0 HA SER A 87 -6.233 -11.937 20.379 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.211 -9.549 18.795 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.366 -10.621 19.560 1.00 0.00 H new ATOM 0 HG SER A 87 -7.744 -8.867 20.945 1.00 0.00 H new ATOM 1298 N GLY A 88 -7.496 -13.533 18.955 1.00 0.00 N ATOM 1299 CA GLY A 88 -8.081 -14.552 18.103 1.00 0.00 C ATOM 1300 C GLY A 88 -7.957 -15.943 18.694 1.00 0.00 C ATOM 1301 O GLY A 88 -7.197 -16.158 19.638 1.00 0.00 O ATOM 0 H GLY A 88 -7.538 -13.734 19.954 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.134 -14.323 17.938 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.594 -14.530 17.128 1.00 0.00 H new TER 1305 GLY A 88