USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 641 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 68 THR OG1 : rot 66:sc= 0.0285 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -2.13! C(o=-2.1!,f=-2.9!) USER MOD Set 2.1: A 28 CYS SG : rot -136:sc= 0.712 USER MOD Set 2.2: A 30 TYR OH : rot 104:sc= 1.71 USER MOD Set 3.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0799 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.161 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 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.283 X(o=-0.28,f=-0.29) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -19:sc= 1.19 USER MOD Single : A 44 LYS NZ :NH3+ -129:sc= -0.491 (180deg=-0.995) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -122:sc= -0.274 (180deg=-0.462) USER MOD Single : A 49 ASN : amide:sc= -0.821 X(o=-0.82,f=-1) USER MOD Single : A 51 ASN : amide:sc= -1.52! C(o=-1.5!,f=-8.3!) USER MOD Single : A 53 GLN : amide:sc= -3.03! C(o=-3!,f=-3!) USER MOD Single : A 59 ASN : amide:sc= -3.16! C(o=-3.2!,f=-2.3!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 81 ASN : amide:sc= -0.453 K(o=-0.45,f=-6.7!) 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 -6:sc= 0.354! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 34.800 -13.587 6.115 1.00 0.00 N ATOM 2 CA GLY A 1 33.537 -13.237 5.490 1.00 0.00 C ATOM 3 C GLY A 1 33.017 -14.333 4.581 1.00 0.00 C ATOM 4 O GLY A 1 33.520 -15.456 4.601 1.00 0.00 O ATOM 0 H1 GLY A 1 34.712 -13.500 7.148 1.00 0.00 H new ATOM 0 H2 GLY A 1 35.049 -14.567 5.870 1.00 0.00 H new ATOM 0 H3 GLY A 1 35.545 -12.946 5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 1 32.798 -13.029 6.263 1.00 0.00 H new ATOM 0 HA3 GLY A 1 33.662 -12.320 4.914 1.00 0.00 H new ATOM 8 N SER A 2 32.005 -14.006 3.784 1.00 0.00 N ATOM 9 CA SER A 2 31.412 -14.973 2.867 1.00 0.00 C ATOM 10 C SER A 2 30.512 -14.277 1.850 1.00 0.00 C ATOM 11 O SER A 2 30.290 -13.069 1.926 1.00 0.00 O ATOM 12 CB SER A 2 30.609 -16.019 3.644 1.00 0.00 C ATOM 13 OG SER A 2 30.562 -17.249 2.943 1.00 0.00 O ATOM 0 H SER A 2 31.579 -13.080 3.754 1.00 0.00 H new ATOM 0 HA SER A 2 32.220 -15.470 2.331 1.00 0.00 H new ATOM 0 HB2 SER A 2 31.059 -16.173 4.625 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.596 -15.653 3.812 1.00 0.00 H new ATOM 0 HG SER A 2 30.045 -17.901 3.461 1.00 0.00 H new ATOM 19 N SER A 3 29.997 -15.049 0.899 1.00 0.00 N ATOM 20 CA SER A 3 29.124 -14.507 -0.136 1.00 0.00 C ATOM 21 C SER A 3 28.124 -15.558 -0.608 1.00 0.00 C ATOM 22 O SER A 3 28.278 -16.747 -0.330 1.00 0.00 O ATOM 23 CB SER A 3 29.953 -14.007 -1.321 1.00 0.00 C ATOM 24 OG SER A 3 29.121 -13.454 -2.327 1.00 0.00 O ATOM 0 H SER A 3 30.169 -16.052 0.823 1.00 0.00 H new ATOM 0 HA SER A 3 28.571 -13.670 0.291 1.00 0.00 H new ATOM 0 HB2 SER A 3 30.665 -13.256 -0.980 1.00 0.00 H new ATOM 0 HB3 SER A 3 30.533 -14.831 -1.737 1.00 0.00 H new ATOM 0 HG SER A 3 29.674 -13.140 -3.073 1.00 0.00 H new ATOM 30 N GLY A 4 27.098 -15.110 -1.325 1.00 0.00 N ATOM 31 CA GLY A 4 26.087 -16.023 -1.825 1.00 0.00 C ATOM 32 C GLY A 4 25.510 -15.579 -3.155 1.00 0.00 C ATOM 33 O GLY A 4 26.077 -14.718 -3.828 1.00 0.00 O ATOM 0 H GLY A 4 26.949 -14.131 -1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 4 26.522 -17.017 -1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.283 -16.106 -1.093 1.00 0.00 H new ATOM 37 N SER A 5 24.381 -16.168 -3.535 1.00 0.00 N ATOM 38 CA SER A 5 23.731 -15.831 -4.796 1.00 0.00 C ATOM 39 C SER A 5 22.293 -16.342 -4.819 1.00 0.00 C ATOM 40 O SER A 5 21.908 -17.180 -4.004 1.00 0.00 O ATOM 41 CB SER A 5 24.512 -16.422 -5.971 1.00 0.00 C ATOM 42 OG SER A 5 24.090 -15.856 -7.200 1.00 0.00 O ATOM 0 H SER A 5 23.898 -16.881 -2.988 1.00 0.00 H new ATOM 0 HA SER A 5 23.715 -14.745 -4.889 1.00 0.00 H new ATOM 0 HB2 SER A 5 25.578 -16.242 -5.831 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.372 -17.503 -5.998 1.00 0.00 H new ATOM 0 HG SER A 5 24.605 -16.249 -7.935 1.00 0.00 H new ATOM 48 N SER A 6 21.504 -15.829 -5.758 1.00 0.00 N ATOM 49 CA SER A 6 20.108 -16.229 -5.885 1.00 0.00 C ATOM 50 C SER A 6 19.469 -15.587 -7.113 1.00 0.00 C ATOM 51 O SER A 6 20.014 -14.648 -7.691 1.00 0.00 O ATOM 52 CB SER A 6 19.327 -15.841 -4.628 1.00 0.00 C ATOM 53 OG SER A 6 18.205 -16.686 -4.444 1.00 0.00 O ATOM 0 H SER A 6 21.808 -15.136 -6.442 1.00 0.00 H new ATOM 0 HA SER A 6 20.076 -17.312 -6.004 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.980 -15.903 -3.757 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.997 -14.805 -4.706 1.00 0.00 H new ATOM 0 HG SER A 6 17.724 -16.419 -3.633 1.00 0.00 H new ATOM 59 N GLY A 7 18.308 -16.102 -7.506 1.00 0.00 N ATOM 60 CA GLY A 7 17.613 -15.568 -8.662 1.00 0.00 C ATOM 61 C GLY A 7 16.203 -16.109 -8.792 1.00 0.00 C ATOM 62 O GLY A 7 15.928 -17.267 -8.479 1.00 0.00 O ATOM 0 H GLY A 7 17.837 -16.880 -7.044 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.577 -14.481 -8.590 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.176 -15.809 -9.564 1.00 0.00 H new ATOM 66 N PRO A 8 15.279 -15.258 -9.263 1.00 0.00 N ATOM 67 CA PRO A 8 13.874 -15.635 -9.443 1.00 0.00 C ATOM 68 C PRO A 8 13.682 -16.628 -10.584 1.00 0.00 C ATOM 69 O PRO A 8 14.634 -16.978 -11.283 1.00 0.00 O ATOM 70 CB PRO A 8 13.189 -14.305 -9.770 1.00 0.00 C ATOM 71 CG PRO A 8 14.266 -13.458 -10.354 1.00 0.00 C ATOM 72 CD PRO A 8 15.535 -13.862 -9.656 1.00 0.00 C ATOM 0 HA PRO A 8 13.469 -16.133 -8.562 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.369 -14.445 -10.475 1.00 0.00 H new ATOM 0 HB3 PRO A 8 12.766 -13.847 -8.876 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.345 -13.615 -11.430 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.056 -12.399 -10.201 1.00 0.00 H new ATOM 0 HD2 PRO A 8 16.399 -13.782 -10.316 1.00 0.00 H new ATOM 0 HD3 PRO A 8 15.736 -13.231 -8.790 1.00 0.00 H new ATOM 80 N LEU A 9 12.446 -17.078 -10.768 1.00 0.00 N ATOM 81 CA LEU A 9 12.129 -18.032 -11.826 1.00 0.00 C ATOM 82 C LEU A 9 11.259 -17.385 -12.899 1.00 0.00 C ATOM 83 O LEU A 9 10.564 -16.397 -12.658 1.00 0.00 O ATOM 84 CB LEU A 9 11.415 -19.252 -11.242 1.00 0.00 C ATOM 85 CG LEU A 9 10.416 -18.972 -10.119 1.00 0.00 C ATOM 86 CD1 LEU A 9 9.332 -20.039 -10.090 1.00 0.00 C ATOM 87 CD2 LEU A 9 11.129 -18.898 -8.777 1.00 0.00 C ATOM 0 H LEU A 9 11.647 -16.798 -10.199 1.00 0.00 H new ATOM 0 HA LEU A 9 13.064 -18.352 -12.286 1.00 0.00 H new ATOM 0 HB2 LEU A 9 10.890 -19.761 -12.050 1.00 0.00 H new ATOM 0 HB3 LEU A 9 12.169 -19.944 -10.866 1.00 0.00 H new ATOM 0 HG LEU A 9 9.944 -18.008 -10.311 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.630 -19.823 -9.284 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.801 -20.044 -11.042 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.787 -21.015 -9.923 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.402 -18.698 -7.989 1.00 0.00 H new ATOM 0 HD22 LEU A 9 11.629 -19.846 -8.578 1.00 0.00 H new ATOM 0 HD23 LEU A 9 11.868 -18.097 -8.801 1.00 0.00 H new ATOM 99 N PRO A 10 11.294 -17.955 -14.113 1.00 0.00 N ATOM 100 CA PRO A 10 10.512 -17.452 -15.246 1.00 0.00 C ATOM 101 C PRO A 10 9.016 -17.690 -15.070 1.00 0.00 C ATOM 102 O PRO A 10 8.211 -17.287 -15.910 1.00 0.00 O ATOM 103 CB PRO A 10 11.046 -18.260 -16.432 1.00 0.00 C ATOM 104 CG PRO A 10 11.572 -19.516 -15.827 1.00 0.00 C ATOM 105 CD PRO A 10 12.099 -19.135 -14.471 1.00 0.00 C ATOM 0 HA PRO A 10 10.616 -16.374 -15.366 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.258 -18.469 -17.156 1.00 0.00 H new ATOM 0 HB3 PRO A 10 11.829 -17.717 -16.961 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.787 -20.267 -15.743 1.00 0.00 H new ATOM 0 HG3 PRO A 10 12.360 -19.946 -16.445 1.00 0.00 H new ATOM 0 HD2 PRO A 10 11.973 -19.942 -13.749 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.163 -18.901 -14.504 1.00 0.00 H new ATOM 113 N SER A 11 8.651 -18.346 -13.973 1.00 0.00 N ATOM 114 CA SER A 11 7.252 -18.640 -13.689 1.00 0.00 C ATOM 115 C SER A 11 6.515 -17.386 -13.229 1.00 0.00 C ATOM 116 O SER A 11 7.125 -16.446 -12.716 1.00 0.00 O ATOM 117 CB SER A 11 7.144 -19.729 -12.620 1.00 0.00 C ATOM 118 OG SER A 11 5.835 -20.268 -12.570 1.00 0.00 O ATOM 0 H SER A 11 9.305 -18.684 -13.267 1.00 0.00 H new ATOM 0 HA SER A 11 6.788 -18.996 -14.609 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.860 -20.523 -12.832 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.407 -19.315 -11.647 1.00 0.00 H new ATOM 0 HG SER A 11 5.793 -20.963 -11.880 1.00 0.00 H new ATOM 124 N THR A 12 5.199 -17.377 -13.417 1.00 0.00 N ATOM 125 CA THR A 12 4.379 -16.239 -13.023 1.00 0.00 C ATOM 126 C THR A 12 3.243 -16.672 -12.102 1.00 0.00 C ATOM 127 O THR A 12 2.547 -17.648 -12.379 1.00 0.00 O ATOM 128 CB THR A 12 3.784 -15.524 -14.251 1.00 0.00 C ATOM 129 OG1 THR A 12 3.057 -14.362 -13.836 1.00 0.00 O ATOM 130 CG2 THR A 12 2.864 -16.454 -15.026 1.00 0.00 C ATOM 0 H THR A 12 4.679 -18.146 -13.840 1.00 0.00 H new ATOM 0 HA THR A 12 5.032 -15.548 -12.490 1.00 0.00 H new ATOM 0 HB THR A 12 4.605 -15.225 -14.903 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.683 -13.912 -14.622 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.456 -15.927 -15.888 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.427 -17.323 -15.365 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.048 -16.780 -14.381 1.00 0.00 H new ATOM 138 N GLN A 13 3.063 -15.940 -11.008 1.00 0.00 N ATOM 139 CA GLN A 13 2.011 -16.249 -10.047 1.00 0.00 C ATOM 140 C GLN A 13 1.513 -14.983 -9.358 1.00 0.00 C ATOM 141 O GLN A 13 2.293 -14.083 -9.053 1.00 0.00 O ATOM 142 CB GLN A 13 2.522 -17.244 -9.003 1.00 0.00 C ATOM 143 CG GLN A 13 2.834 -18.618 -9.574 1.00 0.00 C ATOM 144 CD GLN A 13 3.701 -19.451 -8.650 1.00 0.00 C ATOM 145 OE1 GLN A 13 3.370 -19.647 -7.480 1.00 0.00 O ATOM 146 NE2 GLN A 13 4.817 -19.946 -9.171 1.00 0.00 N ATOM 0 H GLN A 13 3.632 -15.129 -10.765 1.00 0.00 H new ATOM 0 HA GLN A 13 1.178 -16.697 -10.590 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.421 -16.840 -8.538 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.775 -17.348 -8.216 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.901 -19.148 -9.766 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.338 -18.503 -10.533 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.052 -19.758 -10.146 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.440 -20.514 -8.597 1.00 0.00 H new ATOM 155 N ASN A 14 0.207 -14.921 -9.118 1.00 0.00 N ATOM 156 CA ASN A 14 -0.396 -13.764 -8.466 1.00 0.00 C ATOM 157 C ASN A 14 0.446 -13.309 -7.277 1.00 0.00 C ATOM 158 O ASN A 14 0.656 -14.062 -6.328 1.00 0.00 O ATOM 159 CB ASN A 14 -1.816 -14.096 -8.002 1.00 0.00 C ATOM 160 CG ASN A 14 -2.576 -14.928 -9.018 1.00 0.00 C ATOM 161 OD1 ASN A 14 -2.807 -16.119 -8.813 1.00 0.00 O ATOM 162 ND2 ASN A 14 -2.969 -14.301 -10.120 1.00 0.00 N ATOM 0 H ASN A 14 -0.454 -15.658 -9.365 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.438 -12.951 -9.191 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.770 -14.636 -7.056 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.360 -13.170 -7.814 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.485 -14.808 -10.839 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.755 -13.312 -10.248 1.00 0.00 H new ATOM 169 N GLY A 15 0.925 -12.070 -7.338 1.00 0.00 N ATOM 170 CA GLY A 15 1.738 -11.536 -6.261 1.00 0.00 C ATOM 171 C GLY A 15 1.077 -10.363 -5.563 1.00 0.00 C ATOM 172 O GLY A 15 -0.073 -10.019 -5.835 1.00 0.00 O ATOM 0 H GLY A 15 0.765 -11.427 -8.113 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.935 -12.324 -5.534 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.703 -11.221 -6.659 1.00 0.00 H new ATOM 176 N PRO A 16 1.813 -9.729 -4.638 1.00 0.00 N ATOM 177 CA PRO A 16 1.311 -8.580 -3.880 1.00 0.00 C ATOM 178 C PRO A 16 1.153 -7.336 -4.748 1.00 0.00 C ATOM 179 O PRO A 16 1.881 -7.151 -5.723 1.00 0.00 O ATOM 180 CB PRO A 16 2.392 -8.357 -2.818 1.00 0.00 C ATOM 181 CG PRO A 16 3.633 -8.924 -3.416 1.00 0.00 C ATOM 182 CD PRO A 16 3.192 -10.085 -4.263 1.00 0.00 C ATOM 0 HA PRO A 16 0.319 -8.766 -3.467 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.511 -7.298 -2.590 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.138 -8.858 -1.884 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.153 -8.178 -4.017 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.327 -9.248 -2.640 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.828 -10.207 -5.140 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.228 -11.023 -3.709 1.00 0.00 H new ATOM 190 N VAL A 17 0.198 -6.486 -4.387 1.00 0.00 N ATOM 191 CA VAL A 17 -0.055 -5.258 -5.132 1.00 0.00 C ATOM 192 C VAL A 17 0.831 -4.122 -4.636 1.00 0.00 C ATOM 193 O VAL A 17 1.003 -3.934 -3.432 1.00 0.00 O ATOM 194 CB VAL A 17 -1.530 -4.829 -5.024 1.00 0.00 C ATOM 195 CG1 VAL A 17 -1.762 -3.520 -5.763 1.00 0.00 C ATOM 196 CG2 VAL A 17 -2.443 -5.922 -5.559 1.00 0.00 C ATOM 0 H VAL A 17 -0.414 -6.625 -3.583 1.00 0.00 H new ATOM 0 HA VAL A 17 0.179 -5.468 -6.176 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.768 -4.671 -3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.810 -3.233 -5.675 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.135 -2.741 -5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.507 -3.646 -6.815 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.482 -5.602 -5.475 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.206 -6.114 -6.605 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.296 -6.834 -4.980 1.00 0.00 H new ATOM 206 N PHE A 18 1.392 -3.364 -5.573 1.00 0.00 N ATOM 207 CA PHE A 18 2.262 -2.245 -5.231 1.00 0.00 C ATOM 208 C PHE A 18 1.642 -0.921 -5.668 1.00 0.00 C ATOM 209 O PHE A 18 1.200 -0.777 -6.808 1.00 0.00 O ATOM 210 CB PHE A 18 3.634 -2.419 -5.886 1.00 0.00 C ATOM 211 CG PHE A 18 4.491 -3.455 -5.215 1.00 0.00 C ATOM 212 CD1 PHE A 18 4.419 -4.785 -5.595 1.00 0.00 C ATOM 213 CD2 PHE A 18 5.369 -3.097 -4.204 1.00 0.00 C ATOM 214 CE1 PHE A 18 5.206 -5.740 -4.979 1.00 0.00 C ATOM 215 CE2 PHE A 18 6.159 -4.048 -3.585 1.00 0.00 C ATOM 216 CZ PHE A 18 6.077 -5.371 -3.973 1.00 0.00 C ATOM 0 H PHE A 18 1.260 -3.505 -6.575 1.00 0.00 H new ATOM 0 HA PHE A 18 2.383 -2.230 -4.148 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.496 -2.694 -6.932 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.157 -1.463 -5.874 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.740 -5.079 -6.382 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.437 -2.064 -3.896 1.00 0.00 H new ATOM 0 HE1 PHE A 18 5.140 -6.774 -5.284 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.840 -3.757 -2.799 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.693 -6.115 -3.491 1.00 0.00 H new ATOM 226 N ALA A 19 1.614 0.043 -4.754 1.00 0.00 N ATOM 227 CA ALA A 19 1.050 1.356 -5.045 1.00 0.00 C ATOM 228 C ALA A 19 2.038 2.466 -4.703 1.00 0.00 C ATOM 229 O ALA A 19 2.448 2.614 -3.551 1.00 0.00 O ATOM 230 CB ALA A 19 -0.251 1.552 -4.281 1.00 0.00 C ATOM 0 H ALA A 19 1.975 -0.060 -3.806 1.00 0.00 H new ATOM 0 HA ALA A 19 0.843 1.406 -6.114 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.661 2.536 -4.507 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.966 0.784 -4.577 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.059 1.476 -3.211 1.00 0.00 H new ATOM 236 N LYS A 20 2.419 3.243 -5.711 1.00 0.00 N ATOM 237 CA LYS A 20 3.359 4.341 -5.518 1.00 0.00 C ATOM 238 C LYS A 20 2.637 5.599 -5.047 1.00 0.00 C ATOM 239 O LYS A 20 1.547 5.916 -5.522 1.00 0.00 O ATOM 240 CB LYS A 20 4.112 4.629 -6.819 1.00 0.00 C ATOM 241 CG LYS A 20 5.007 5.854 -6.745 1.00 0.00 C ATOM 242 CD LYS A 20 5.766 6.070 -8.044 1.00 0.00 C ATOM 243 CE LYS A 20 6.758 7.216 -7.926 1.00 0.00 C ATOM 244 NZ LYS A 20 6.081 8.542 -7.967 1.00 0.00 N ATOM 0 H LYS A 20 2.091 3.133 -6.671 1.00 0.00 H new ATOM 0 HA LYS A 20 4.073 4.044 -4.750 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.719 3.761 -7.078 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.390 4.765 -7.624 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.403 6.734 -6.525 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.715 5.740 -5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.295 5.156 -8.314 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.061 6.279 -8.848 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.314 7.121 -6.993 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.483 7.153 -8.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.791 9.297 -7.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.571 8.644 -8.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.407 8.612 -7.178 1.00 0.00 H new ATOM 258 N ALA A 21 3.253 6.314 -4.111 1.00 0.00 N ATOM 259 CA ALA A 21 2.670 7.539 -3.578 1.00 0.00 C ATOM 260 C ALA A 21 2.938 8.722 -4.504 1.00 0.00 C ATOM 261 O ALA A 21 4.076 9.172 -4.637 1.00 0.00 O ATOM 262 CB ALA A 21 3.216 7.822 -2.187 1.00 0.00 C ATOM 0 H ALA A 21 4.156 6.066 -3.706 1.00 0.00 H new ATOM 0 HA ALA A 21 1.591 7.399 -3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.772 8.740 -1.802 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.969 6.993 -1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.299 7.936 -2.237 1.00 0.00 H new ATOM 268 N ILE A 22 1.883 9.219 -5.141 1.00 0.00 N ATOM 269 CA ILE A 22 2.005 10.349 -6.053 1.00 0.00 C ATOM 270 C ILE A 22 1.877 11.673 -5.309 1.00 0.00 C ATOM 271 O ILE A 22 2.481 12.674 -5.694 1.00 0.00 O ATOM 272 CB ILE A 22 0.941 10.293 -7.165 1.00 0.00 C ATOM 273 CG1 ILE A 22 -0.456 10.147 -6.557 1.00 0.00 C ATOM 274 CG2 ILE A 22 1.231 9.143 -8.119 1.00 0.00 C ATOM 275 CD1 ILE A 22 -1.574 10.355 -7.555 1.00 0.00 C ATOM 0 H ILE A 22 0.935 8.857 -5.042 1.00 0.00 H new ATOM 0 HA ILE A 22 2.995 10.283 -6.505 1.00 0.00 H new ATOM 0 HB ILE A 22 0.977 11.225 -7.729 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.551 9.153 -6.119 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.567 10.865 -5.745 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.470 9.117 -8.899 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.212 9.285 -8.573 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.219 8.202 -7.569 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.535 10.237 -7.055 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.505 11.358 -7.975 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.489 9.620 -8.355 1.00 0.00 H new ATOM 287 N GLN A 23 1.087 11.670 -4.239 1.00 0.00 N ATOM 288 CA GLN A 23 0.881 12.872 -3.439 1.00 0.00 C ATOM 289 C GLN A 23 1.402 12.677 -2.020 1.00 0.00 C ATOM 290 O GLN A 23 1.297 11.590 -1.452 1.00 0.00 O ATOM 291 CB GLN A 23 -0.604 13.238 -3.404 1.00 0.00 C ATOM 292 CG GLN A 23 -1.110 13.852 -4.699 1.00 0.00 C ATOM 293 CD GLN A 23 -0.973 15.362 -4.722 1.00 0.00 C ATOM 294 OE1 GLN A 23 -0.251 15.919 -5.549 1.00 0.00 O ATOM 295 NE2 GLN A 23 -1.667 16.033 -3.810 1.00 0.00 N ATOM 0 H GLN A 23 0.580 10.850 -3.907 1.00 0.00 H new ATOM 0 HA GLN A 23 1.438 13.686 -3.902 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.185 12.342 -3.185 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.778 13.939 -2.587 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.558 13.428 -5.538 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.157 13.584 -4.839 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.253 15.530 -3.144 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.614 17.051 -3.776 1.00 0.00 H new ATOM 304 N LYS A 24 1.966 13.738 -1.451 1.00 0.00 N ATOM 305 CA LYS A 24 2.504 13.685 -0.097 1.00 0.00 C ATOM 306 C LYS A 24 1.401 13.396 0.916 1.00 0.00 C ATOM 307 O LYS A 24 0.370 14.070 0.935 1.00 0.00 O ATOM 308 CB LYS A 24 3.197 15.004 0.251 1.00 0.00 C ATOM 309 CG LYS A 24 3.908 14.983 1.593 1.00 0.00 C ATOM 310 CD LYS A 24 4.477 16.348 1.943 1.00 0.00 C ATOM 311 CE LYS A 24 5.361 16.282 3.180 1.00 0.00 C ATOM 312 NZ LYS A 24 6.771 15.950 2.837 1.00 0.00 N ATOM 0 H LYS A 24 2.062 14.645 -1.907 1.00 0.00 H new ATOM 0 HA LYS A 24 3.233 12.876 -0.055 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.920 15.242 -0.530 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.456 15.804 0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.212 14.668 2.370 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.712 14.248 1.568 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.055 16.729 1.101 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.661 17.051 2.114 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.330 17.239 3.700 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.968 15.533 3.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.341 15.915 3.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.804 15.025 2.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.154 16.678 2.201 1.00 0.00 H new ATOM 326 N ARG A 25 1.624 12.392 1.757 1.00 0.00 N ATOM 327 CA ARG A 25 0.649 12.015 2.773 1.00 0.00 C ATOM 328 C ARG A 25 1.104 12.465 4.158 1.00 0.00 C ATOM 329 O ARG A 25 2.129 12.009 4.665 1.00 0.00 O ATOM 330 CB ARG A 25 0.430 10.500 2.764 1.00 0.00 C ATOM 331 CG ARG A 25 -0.966 10.084 3.195 1.00 0.00 C ATOM 332 CD ARG A 25 -1.204 10.372 4.669 1.00 0.00 C ATOM 333 NE ARG A 25 -2.618 10.281 5.023 1.00 0.00 N ATOM 334 CZ ARG A 25 -3.233 9.137 5.300 1.00 0.00 C ATOM 335 NH1 ARG A 25 -2.563 7.993 5.263 1.00 0.00 N ATOM 336 NH2 ARG A 25 -4.523 9.135 5.614 1.00 0.00 N ATOM 0 H ARG A 25 2.472 11.825 1.755 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.292 12.513 2.539 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.619 10.120 1.760 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.160 10.032 3.425 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.706 10.614 2.596 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.105 9.020 3.004 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.633 9.667 5.273 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.834 11.369 4.908 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.163 11.143 5.059 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.572 7.990 5.021 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.039 7.116 5.476 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.042 10.012 5.643 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.995 8.256 5.827 1.00 0.00 H new ATOM 350 N VAL A 26 0.336 13.364 4.765 1.00 0.00 N ATOM 351 CA VAL A 26 0.659 13.876 6.091 1.00 0.00 C ATOM 352 C VAL A 26 -0.403 13.476 7.109 1.00 0.00 C ATOM 353 O VAL A 26 -1.412 14.158 7.290 1.00 0.00 O ATOM 354 CB VAL A 26 0.795 15.411 6.083 1.00 0.00 C ATOM 355 CG1 VAL A 26 1.117 15.926 7.477 1.00 0.00 C ATOM 356 CG2 VAL A 26 1.858 15.846 5.085 1.00 0.00 C ATOM 0 H VAL A 26 -0.515 13.753 4.359 1.00 0.00 H new ATOM 0 HA VAL A 26 1.615 13.436 6.376 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.158 15.842 5.775 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.209 17.012 7.451 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.317 15.646 8.162 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.056 15.490 7.818 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.941 16.933 5.092 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.817 15.407 5.360 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.579 15.510 4.086 1.00 0.00 H new ATOM 366 N PRO A 27 -0.172 12.345 7.791 1.00 0.00 N ATOM 367 CA PRO A 27 -1.098 11.828 8.804 1.00 0.00 C ATOM 368 C PRO A 27 -1.126 12.695 10.058 1.00 0.00 C ATOM 369 O PRO A 27 -0.196 13.459 10.317 1.00 0.00 O ATOM 370 CB PRO A 27 -0.535 10.441 9.124 1.00 0.00 C ATOM 371 CG PRO A 27 0.913 10.534 8.789 1.00 0.00 C ATOM 372 CD PRO A 27 1.010 11.482 7.627 1.00 0.00 C ATOM 0 HA PRO A 27 -2.128 11.812 8.446 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.683 10.186 10.173 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.029 9.668 8.535 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.487 10.900 9.640 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.317 9.556 8.529 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.935 12.058 7.654 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.992 10.953 6.674 1.00 0.00 H new ATOM 380 N CYS A 28 -2.198 12.570 10.834 1.00 0.00 N ATOM 381 CA CYS A 28 -2.347 13.342 12.062 1.00 0.00 C ATOM 382 C CYS A 28 -1.589 12.687 13.212 1.00 0.00 C ATOM 383 O CYS A 28 -1.130 11.550 13.098 1.00 0.00 O ATOM 384 CB CYS A 28 -3.826 13.482 12.425 1.00 0.00 C ATOM 385 SG CYS A 28 -4.708 14.729 11.457 1.00 0.00 S ATOM 0 H CYS A 28 -2.976 11.941 10.634 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.927 14.333 11.891 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.316 12.518 12.288 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.907 13.734 13.482 1.00 0.00 H new ATOM 0 HG CYS A 28 -5.467 15.432 12.244 1.00 0.00 H new ATOM 391 N ALA A 29 -1.459 13.412 14.318 1.00 0.00 N ATOM 392 CA ALA A 29 -0.757 12.901 15.488 1.00 0.00 C ATOM 393 C ALA A 29 -1.635 11.938 16.279 1.00 0.00 C ATOM 394 O ALA A 29 -1.174 10.889 16.730 1.00 0.00 O ATOM 395 CB ALA A 29 -0.302 14.052 16.375 1.00 0.00 C ATOM 0 H ALA A 29 -1.831 14.355 14.428 1.00 0.00 H new ATOM 0 HA ALA A 29 0.120 12.352 15.143 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.221 13.656 17.245 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.369 14.701 15.813 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.170 14.624 16.703 1.00 0.00 H new ATOM 401 N TYR A 30 -2.903 12.300 16.443 1.00 0.00 N ATOM 402 CA TYR A 30 -3.846 11.468 17.182 1.00 0.00 C ATOM 403 C TYR A 30 -4.151 10.182 16.420 1.00 0.00 C ATOM 404 O TYR A 30 -4.333 9.121 17.018 1.00 0.00 O ATOM 405 CB TYR A 30 -5.141 12.238 17.444 1.00 0.00 C ATOM 406 CG TYR A 30 -5.690 12.934 16.219 1.00 0.00 C ATOM 407 CD1 TYR A 30 -5.243 14.198 15.855 1.00 0.00 C ATOM 408 CD2 TYR A 30 -6.655 12.327 15.424 1.00 0.00 C ATOM 409 CE1 TYR A 30 -5.742 14.838 14.737 1.00 0.00 C ATOM 410 CE2 TYR A 30 -7.159 12.958 14.304 1.00 0.00 C ATOM 411 CZ TYR A 30 -6.700 14.214 13.964 1.00 0.00 C ATOM 412 OH TYR A 30 -7.199 14.847 12.849 1.00 0.00 O ATOM 0 H TYR A 30 -3.301 13.164 16.074 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.389 11.204 18.136 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.893 11.548 17.827 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.962 12.979 18.223 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.492 14.689 16.457 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.017 11.344 15.687 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.384 15.821 14.469 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.908 12.471 13.697 1.00 0.00 H new ATOM 0 HH TYR A 30 -6.800 14.455 12.044 1.00 0.00 H new ATOM 422 N ASP A 31 -4.204 10.284 15.097 1.00 0.00 N ATOM 423 CA ASP A 31 -4.485 9.130 14.251 1.00 0.00 C ATOM 424 C ASP A 31 -3.279 8.197 14.187 1.00 0.00 C ATOM 425 O ASP A 31 -2.384 8.377 13.362 1.00 0.00 O ATOM 426 CB ASP A 31 -4.868 9.584 12.842 1.00 0.00 C ATOM 427 CG ASP A 31 -5.663 8.534 12.091 1.00 0.00 C ATOM 428 OD1 ASP A 31 -5.324 7.338 12.209 1.00 0.00 O ATOM 429 OD2 ASP A 31 -6.623 8.908 11.385 1.00 0.00 O ATOM 0 H ASP A 31 -4.056 11.155 14.587 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.322 8.585 14.689 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.453 10.502 12.906 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.964 9.821 12.281 1.00 0.00 H new ATOM 434 N LYS A 32 -3.263 7.199 15.065 1.00 0.00 N ATOM 435 CA LYS A 32 -2.168 6.237 15.110 1.00 0.00 C ATOM 436 C LYS A 32 -2.297 5.214 13.986 1.00 0.00 C ATOM 437 O LYS A 32 -1.352 4.484 13.684 1.00 0.00 O ATOM 438 CB LYS A 32 -2.144 5.523 16.463 1.00 0.00 C ATOM 439 CG LYS A 32 -3.243 4.486 16.624 1.00 0.00 C ATOM 440 CD LYS A 32 -4.529 5.112 17.135 1.00 0.00 C ATOM 441 CE LYS A 32 -5.461 4.065 17.727 1.00 0.00 C ATOM 442 NZ LYS A 32 -6.762 4.655 18.147 1.00 0.00 N ATOM 0 H LYS A 32 -3.996 7.036 15.755 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.233 6.782 14.977 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.177 5.038 16.591 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.236 6.264 17.257 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.429 4.000 15.666 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.914 3.711 17.316 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.295 5.862 17.891 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.033 5.629 16.318 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.639 3.280 16.992 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.981 3.595 18.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.369 3.910 18.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.595 5.387 18.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.232 5.081 17.323 1.00 0.00 H new ATOM 456 N THR A 33 -3.473 5.165 13.368 1.00 0.00 N ATOM 457 CA THR A 33 -3.726 4.232 12.277 1.00 0.00 C ATOM 458 C THR A 33 -3.515 4.899 10.923 1.00 0.00 C ATOM 459 O THR A 33 -3.835 4.327 9.882 1.00 0.00 O ATOM 460 CB THR A 33 -5.157 3.667 12.341 1.00 0.00 C ATOM 461 OG1 THR A 33 -6.106 4.706 12.074 1.00 0.00 O ATOM 462 CG2 THR A 33 -5.437 3.056 13.706 1.00 0.00 C ATOM 0 H THR A 33 -4.266 5.761 13.605 1.00 0.00 H new ATOM 0 HA THR A 33 -3.015 3.413 12.390 1.00 0.00 H new ATOM 0 HB THR A 33 -5.250 2.887 11.585 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.683 5.579 12.212 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.454 2.664 13.727 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.732 2.247 13.894 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.327 3.820 14.476 1.00 0.00 H new ATOM 470 N ALA A 34 -2.975 6.113 10.944 1.00 0.00 N ATOM 471 CA ALA A 34 -2.719 6.857 9.717 1.00 0.00 C ATOM 472 C ALA A 34 -1.284 6.656 9.242 1.00 0.00 C ATOM 473 O ALA A 34 -0.335 7.079 9.904 1.00 0.00 O ATOM 474 CB ALA A 34 -3.005 8.337 9.927 1.00 0.00 C ATOM 0 H ALA A 34 -2.706 6.602 11.798 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.387 6.475 8.945 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.809 8.880 9.002 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.049 8.469 10.212 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.362 8.723 10.718 1.00 0.00 H new ATOM 480 N LEU A 35 -1.132 6.008 8.092 1.00 0.00 N ATOM 481 CA LEU A 35 0.189 5.750 7.529 1.00 0.00 C ATOM 482 C LEU A 35 0.730 6.988 6.821 1.00 0.00 C ATOM 483 O LEU A 35 0.033 7.612 6.022 1.00 0.00 O ATOM 484 CB LEU A 35 0.127 4.575 6.551 1.00 0.00 C ATOM 485 CG LEU A 35 1.396 3.730 6.436 1.00 0.00 C ATOM 486 CD1 LEU A 35 1.106 2.427 5.708 1.00 0.00 C ATOM 487 CD2 LEU A 35 2.493 4.508 5.724 1.00 0.00 C ATOM 0 H LEU A 35 -1.906 5.652 7.532 1.00 0.00 H new ATOM 0 HA LEU A 35 0.863 5.498 8.347 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.694 3.923 6.849 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.118 4.964 5.562 1.00 0.00 H new ATOM 0 HG LEU A 35 1.742 3.491 7.442 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.021 1.839 5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.354 1.862 6.259 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.735 2.645 4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.388 3.891 5.651 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.156 4.778 4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.721 5.413 6.287 1.00 0.00 H new ATOM 499 N ALA A 36 1.978 7.335 7.118 1.00 0.00 N ATOM 500 CA ALA A 36 2.614 8.496 6.507 1.00 0.00 C ATOM 501 C ALA A 36 3.468 8.087 5.312 1.00 0.00 C ATOM 502 O ALA A 36 4.172 7.078 5.355 1.00 0.00 O ATOM 503 CB ALA A 36 3.459 9.236 7.533 1.00 0.00 C ATOM 0 H ALA A 36 2.569 6.829 7.778 1.00 0.00 H new ATOM 0 HA ALA A 36 1.830 9.163 6.149 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.928 10.100 7.063 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.825 9.569 8.354 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.231 8.569 7.918 1.00 0.00 H new ATOM 509 N LEU A 37 3.401 8.877 4.245 1.00 0.00 N ATOM 510 CA LEU A 37 4.168 8.597 3.037 1.00 0.00 C ATOM 511 C LEU A 37 4.758 9.879 2.457 1.00 0.00 C ATOM 512 O LEU A 37 4.357 10.981 2.829 1.00 0.00 O ATOM 513 CB LEU A 37 3.283 7.913 1.994 1.00 0.00 C ATOM 514 CG LEU A 37 2.564 6.644 2.453 1.00 0.00 C ATOM 515 CD1 LEU A 37 1.347 6.374 1.581 1.00 0.00 C ATOM 516 CD2 LEU A 37 3.513 5.454 2.429 1.00 0.00 C ATOM 0 H LEU A 37 2.823 9.716 4.193 1.00 0.00 H new ATOM 0 HA LEU A 37 4.987 7.929 3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.534 8.629 1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.899 7.665 1.130 1.00 0.00 H new ATOM 0 HG LEU A 37 2.225 6.793 3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.848 5.467 1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.657 7.215 1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.662 6.246 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.984 4.560 2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.882 5.304 1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.353 5.645 3.096 1.00 0.00 H new ATOM 528 N GLU A 38 5.711 9.725 1.543 1.00 0.00 N ATOM 529 CA GLU A 38 6.355 10.871 0.911 1.00 0.00 C ATOM 530 C GLU A 38 6.352 10.727 -0.608 1.00 0.00 C ATOM 531 O GLU A 38 6.577 9.641 -1.141 1.00 0.00 O ATOM 532 CB GLU A 38 7.791 11.021 1.417 1.00 0.00 C ATOM 533 CG GLU A 38 8.750 9.994 0.839 1.00 0.00 C ATOM 534 CD GLU A 38 10.043 9.896 1.625 1.00 0.00 C ATOM 535 OE1 GLU A 38 10.094 9.101 2.587 1.00 0.00 O ATOM 536 OE2 GLU A 38 11.004 10.614 1.279 1.00 0.00 O ATOM 0 H GLU A 38 6.054 8.819 1.224 1.00 0.00 H new ATOM 0 HA GLU A 38 5.789 11.764 1.175 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.151 12.020 1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.795 10.938 2.504 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.265 9.018 0.822 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.976 10.255 -0.195 1.00 0.00 H new ATOM 543 N VAL A 39 6.093 11.833 -1.300 1.00 0.00 N ATOM 544 CA VAL A 39 6.061 11.831 -2.758 1.00 0.00 C ATOM 545 C VAL A 39 7.196 10.992 -3.332 1.00 0.00 C ATOM 546 O VAL A 39 8.362 11.383 -3.275 1.00 0.00 O ATOM 547 CB VAL A 39 6.158 13.261 -3.323 1.00 0.00 C ATOM 548 CG1 VAL A 39 6.201 13.233 -4.843 1.00 0.00 C ATOM 549 CG2 VAL A 39 4.994 14.108 -2.830 1.00 0.00 C ATOM 0 H VAL A 39 5.903 12.740 -0.875 1.00 0.00 H new ATOM 0 HA VAL A 39 5.106 11.395 -3.053 1.00 0.00 H new ATOM 0 HB VAL A 39 7.084 13.712 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.269 14.252 -5.224 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.070 12.663 -5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.294 12.763 -5.224 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.078 15.115 -3.239 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.055 13.661 -3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.014 14.155 -1.741 1.00 0.00 H new ATOM 559 N GLY A 40 6.848 9.835 -3.887 1.00 0.00 N ATOM 560 CA GLY A 40 7.850 8.958 -4.465 1.00 0.00 C ATOM 561 C GLY A 40 8.233 7.824 -3.534 1.00 0.00 C ATOM 562 O GLY A 40 9.416 7.537 -3.350 1.00 0.00 O ATOM 0 H GLY A 40 5.890 9.489 -3.947 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.471 8.545 -5.400 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.739 9.539 -4.710 1.00 0.00 H new ATOM 566 N ASP A 41 7.232 7.179 -2.946 1.00 0.00 N ATOM 567 CA ASP A 41 7.470 6.071 -2.029 1.00 0.00 C ATOM 568 C ASP A 41 6.612 4.865 -2.398 1.00 0.00 C ATOM 569 O ASP A 41 5.447 5.011 -2.770 1.00 0.00 O ATOM 570 CB ASP A 41 7.178 6.499 -0.590 1.00 0.00 C ATOM 571 CG ASP A 41 7.995 5.723 0.423 1.00 0.00 C ATOM 572 OD1 ASP A 41 8.349 4.560 0.134 1.00 0.00 O ATOM 573 OD2 ASP A 41 8.281 6.277 1.506 1.00 0.00 O ATOM 0 H ASP A 41 6.247 7.405 -3.088 1.00 0.00 H new ATOM 0 HA ASP A 41 8.519 5.786 -2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.386 7.563 -0.481 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.117 6.359 -0.381 1.00 0.00 H new ATOM 578 N ILE A 42 7.195 3.676 -2.295 1.00 0.00 N ATOM 579 CA ILE A 42 6.483 2.446 -2.618 1.00 0.00 C ATOM 580 C ILE A 42 5.731 1.910 -1.404 1.00 0.00 C ATOM 581 O ILE A 42 6.308 1.736 -0.331 1.00 0.00 O ATOM 582 CB ILE A 42 7.444 1.358 -3.134 1.00 0.00 C ATOM 583 CG1 ILE A 42 8.281 1.896 -4.296 1.00 0.00 C ATOM 584 CG2 ILE A 42 6.665 0.123 -3.562 1.00 0.00 C ATOM 585 CD1 ILE A 42 7.480 2.138 -5.557 1.00 0.00 C ATOM 0 H ILE A 42 8.159 3.538 -1.990 1.00 0.00 H new ATOM 0 HA ILE A 42 5.770 2.692 -3.404 1.00 0.00 H new ATOM 0 HB ILE A 42 8.118 1.076 -2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.754 2.830 -3.991 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.082 1.189 -4.514 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.358 -0.637 -3.924 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.109 -0.269 -2.711 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.970 0.389 -4.358 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.138 2.519 -6.338 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.029 1.202 -5.887 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.696 2.868 -5.355 1.00 0.00 H new ATOM 597 N VAL A 43 4.440 1.650 -1.582 1.00 0.00 N ATOM 598 CA VAL A 43 3.609 1.131 -0.502 1.00 0.00 C ATOM 599 C VAL A 43 3.200 -0.314 -0.769 1.00 0.00 C ATOM 600 O VAL A 43 2.283 -0.577 -1.547 1.00 0.00 O ATOM 601 CB VAL A 43 2.342 1.984 -0.310 1.00 0.00 C ATOM 602 CG1 VAL A 43 1.600 1.563 0.949 1.00 0.00 C ATOM 603 CG2 VAL A 43 2.698 3.462 -0.259 1.00 0.00 C ATOM 0 H VAL A 43 3.947 1.790 -2.464 1.00 0.00 H new ATOM 0 HA VAL A 43 4.208 1.174 0.407 1.00 0.00 H new ATOM 0 HB VAL A 43 1.683 1.821 -1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.707 2.177 1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.311 0.515 0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.249 1.695 1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.791 4.050 -0.123 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.377 3.644 0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.182 3.752 -1.192 1.00 0.00 H new ATOM 613 N LYS A 44 3.887 -1.247 -0.119 1.00 0.00 N ATOM 614 CA LYS A 44 3.595 -2.666 -0.283 1.00 0.00 C ATOM 615 C LYS A 44 2.419 -3.085 0.594 1.00 0.00 C ATOM 616 O LYS A 44 2.542 -3.169 1.816 1.00 0.00 O ATOM 617 CB LYS A 44 4.827 -3.504 0.063 1.00 0.00 C ATOM 618 CG LYS A 44 4.693 -4.969 -0.316 1.00 0.00 C ATOM 619 CD LYS A 44 5.585 -5.851 0.540 1.00 0.00 C ATOM 620 CE LYS A 44 5.435 -7.320 0.174 1.00 0.00 C ATOM 621 NZ LYS A 44 4.291 -7.954 0.884 1.00 0.00 N ATOM 0 H LYS A 44 4.650 -1.046 0.527 1.00 0.00 H new ATOM 0 HA LYS A 44 3.327 -2.838 -1.325 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.696 -3.084 -0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.017 -3.430 1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.655 -5.281 -0.203 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.952 -5.099 -1.367 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.625 -5.548 0.415 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.336 -5.710 1.592 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.291 -7.413 -0.902 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.354 -7.851 0.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.611 -8.829 1.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.921 -7.298 1.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.540 -8.179 0.201 1.00 0.00 H new ATOM 635 N VAL A 45 1.279 -3.347 -0.038 1.00 0.00 N ATOM 636 CA VAL A 45 0.082 -3.760 0.684 1.00 0.00 C ATOM 637 C VAL A 45 -0.187 -5.249 0.496 1.00 0.00 C ATOM 638 O VAL A 45 -0.009 -5.791 -0.596 1.00 0.00 O ATOM 639 CB VAL A 45 -1.153 -2.964 0.224 1.00 0.00 C ATOM 640 CG1 VAL A 45 -1.127 -2.760 -1.283 1.00 0.00 C ATOM 641 CG2 VAL A 45 -2.431 -3.669 0.653 1.00 0.00 C ATOM 0 H VAL A 45 1.160 -3.280 -1.049 1.00 0.00 H new ATOM 0 HA VAL A 45 0.263 -3.557 1.740 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.129 -1.983 0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.008 -2.196 -1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.228 -2.209 -1.560 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.126 -3.729 -1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.294 -3.093 0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.465 -4.663 0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.451 -3.757 1.739 1.00 0.00 H new ATOM 651 N THR A 46 -0.619 -5.907 1.567 1.00 0.00 N ATOM 652 CA THR A 46 -0.913 -7.333 1.521 1.00 0.00 C ATOM 653 C THR A 46 -2.364 -7.608 1.896 1.00 0.00 C ATOM 654 O THR A 46 -2.933 -8.630 1.510 1.00 0.00 O ATOM 655 CB THR A 46 0.009 -8.128 2.466 1.00 0.00 C ATOM 656 OG1 THR A 46 -0.332 -7.851 3.829 1.00 0.00 O ATOM 657 CG2 THR A 46 1.468 -7.776 2.221 1.00 0.00 C ATOM 0 H THR A 46 -0.773 -5.474 2.478 1.00 0.00 H new ATOM 0 HA THR A 46 -0.738 -7.658 0.496 1.00 0.00 H new ATOM 0 HB THR A 46 -0.130 -9.190 2.266 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.257 -8.361 4.424 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.100 -8.349 2.900 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.732 -8.015 1.191 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.620 -6.711 2.397 1.00 0.00 H new ATOM 665 N ARG A 47 -2.960 -6.690 2.650 1.00 0.00 N ATOM 666 CA ARG A 47 -4.346 -6.834 3.078 1.00 0.00 C ATOM 667 C ARG A 47 -5.211 -5.714 2.506 1.00 0.00 C ATOM 668 O ARG A 47 -4.969 -4.536 2.767 1.00 0.00 O ATOM 669 CB ARG A 47 -4.434 -6.832 4.605 1.00 0.00 C ATOM 670 CG ARG A 47 -3.796 -8.049 5.253 1.00 0.00 C ATOM 671 CD ARG A 47 -4.288 -8.244 6.679 1.00 0.00 C ATOM 672 NE ARG A 47 -3.329 -8.986 7.493 1.00 0.00 N ATOM 673 CZ ARG A 47 -3.345 -8.996 8.821 1.00 0.00 C ATOM 674 NH1 ARG A 47 -4.265 -8.307 9.481 1.00 0.00 N ATOM 675 NH2 ARG A 47 -2.438 -9.696 9.491 1.00 0.00 N ATOM 0 H ARG A 47 -2.504 -5.838 2.977 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.719 -7.786 2.701 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.951 -5.932 4.987 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.482 -6.781 4.900 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.024 -8.937 4.664 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.712 -7.936 5.253 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.474 -7.271 7.134 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.239 -8.776 6.665 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.607 -9.526 7.015 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.963 -7.767 8.969 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.275 -8.316 10.501 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.728 -10.227 8.986 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.451 -9.703 10.511 1.00 0.00 H new ATOM 689 N MET A 48 -6.218 -6.091 1.726 1.00 0.00 N ATOM 690 CA MET A 48 -7.119 -5.118 1.118 1.00 0.00 C ATOM 691 C MET A 48 -8.548 -5.318 1.611 1.00 0.00 C ATOM 692 O MET A 48 -9.172 -6.342 1.334 1.00 0.00 O ATOM 693 CB MET A 48 -7.072 -5.231 -0.407 1.00 0.00 C ATOM 694 CG MET A 48 -5.785 -4.699 -1.017 1.00 0.00 C ATOM 695 SD MET A 48 -6.003 -4.133 -2.714 1.00 0.00 S ATOM 696 CE MET A 48 -4.417 -3.357 -3.019 1.00 0.00 C ATOM 0 H MET A 48 -6.431 -7.062 1.500 1.00 0.00 H new ATOM 0 HA MET A 48 -6.789 -4.121 1.411 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.193 -6.277 -0.689 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.917 -4.687 -0.830 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.413 -3.875 -0.408 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.026 -5.481 -0.994 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.569 -2.313 -3.292 1.00 0.00 H new ATOM 0 HE2 MET A 48 -3.806 -3.411 -2.118 1.00 0.00 H new ATOM 0 HE3 MET A 48 -3.909 -3.874 -3.833 1.00 0.00 H new ATOM 706 N ASN A 49 -9.060 -4.334 2.343 1.00 0.00 N ATOM 707 CA ASN A 49 -10.417 -4.404 2.875 1.00 0.00 C ATOM 708 C ASN A 49 -11.432 -3.929 1.840 1.00 0.00 C ATOM 709 O ASN A 49 -11.095 -3.180 0.923 1.00 0.00 O ATOM 710 CB ASN A 49 -10.533 -3.558 4.145 1.00 0.00 C ATOM 711 CG ASN A 49 -9.336 -3.724 5.062 1.00 0.00 C ATOM 712 OD1 ASN A 49 -8.678 -4.765 5.059 1.00 0.00 O ATOM 713 ND2 ASN A 49 -9.049 -2.696 5.852 1.00 0.00 N ATOM 0 H ASN A 49 -8.557 -3.479 2.581 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.632 -5.444 3.118 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.634 -2.508 3.871 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.440 -3.836 4.682 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.255 -2.749 6.490 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.622 -1.853 5.820 1.00 0.00 H new ATOM 720 N ILE A 50 -12.676 -4.370 1.995 1.00 0.00 N ATOM 721 CA ILE A 50 -13.741 -3.989 1.075 1.00 0.00 C ATOM 722 C ILE A 50 -14.144 -2.532 1.274 1.00 0.00 C ATOM 723 O ILE A 50 -14.418 -1.816 0.312 1.00 0.00 O ATOM 724 CB ILE A 50 -14.983 -4.882 1.250 1.00 0.00 C ATOM 725 CG1 ILE A 50 -14.609 -6.355 1.067 1.00 0.00 C ATOM 726 CG2 ILE A 50 -16.069 -4.479 0.264 1.00 0.00 C ATOM 727 CD1 ILE A 50 -15.653 -7.313 1.594 1.00 0.00 C ATOM 0 H ILE A 50 -12.971 -4.991 2.748 1.00 0.00 H new ATOM 0 HA ILE A 50 -13.349 -4.121 0.067 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.369 -4.747 2.260 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.449 -6.552 0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -13.663 -6.547 1.573 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -16.940 -5.120 0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -16.351 -3.441 0.438 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.695 -4.588 -0.754 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -15.321 -8.338 1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -15.797 -7.144 2.661 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -16.595 -7.149 1.071 1.00 0.00 H new ATOM 739 N ASN A 51 -14.177 -2.099 2.530 1.00 0.00 N ATOM 740 CA ASN A 51 -14.546 -0.726 2.857 1.00 0.00 C ATOM 741 C ASN A 51 -13.808 0.263 1.960 1.00 0.00 C ATOM 742 O ASN A 51 -14.411 1.175 1.396 1.00 0.00 O ATOM 743 CB ASN A 51 -14.238 -0.429 4.325 1.00 0.00 C ATOM 744 CG ASN A 51 -12.831 0.101 4.525 1.00 0.00 C ATOM 745 OD1 ASN A 51 -12.538 1.253 4.201 1.00 0.00 O ATOM 746 ND2 ASN A 51 -11.952 -0.739 5.060 1.00 0.00 N ATOM 0 H ASN A 51 -13.953 -2.679 3.338 1.00 0.00 H new ATOM 0 HA ASN A 51 -15.617 -0.613 2.688 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -14.955 0.300 4.704 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.368 -1.338 4.912 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.990 -0.439 5.218 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.239 -1.684 5.313 1.00 0.00 H new ATOM 753 N GLY A 52 -12.498 0.075 1.833 1.00 0.00 N ATOM 754 CA GLY A 52 -11.699 0.957 1.003 1.00 0.00 C ATOM 755 C GLY A 52 -10.278 1.102 1.511 1.00 0.00 C ATOM 756 O GLY A 52 -9.325 1.016 0.737 1.00 0.00 O ATOM 0 H GLY A 52 -11.976 -0.673 2.290 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.680 0.572 -0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.170 1.939 0.964 1.00 0.00 H new ATOM 760 N GLN A 53 -10.137 1.323 2.814 1.00 0.00 N ATOM 761 CA GLN A 53 -8.821 1.482 3.423 1.00 0.00 C ATOM 762 C GLN A 53 -8.070 0.156 3.450 1.00 0.00 C ATOM 763 O GLN A 53 -8.582 -0.848 3.945 1.00 0.00 O ATOM 764 CB GLN A 53 -8.957 2.035 4.843 1.00 0.00 C ATOM 765 CG GLN A 53 -9.246 3.526 4.890 1.00 0.00 C ATOM 766 CD GLN A 53 -8.479 4.303 3.839 1.00 0.00 C ATOM 767 OE1 GLN A 53 -8.922 4.431 2.697 1.00 0.00 O ATOM 768 NE2 GLN A 53 -7.320 4.828 4.219 1.00 0.00 N ATOM 0 H GLN A 53 -10.917 1.396 3.468 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.251 2.188 2.819 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.757 1.502 5.356 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.037 1.834 5.392 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.314 3.690 4.749 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.992 3.910 5.878 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.990 4.698 5.175 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.760 5.362 3.555 1.00 0.00 H new ATOM 777 N TRP A 54 -6.854 0.159 2.915 1.00 0.00 N ATOM 778 CA TRP A 54 -6.033 -1.046 2.878 1.00 0.00 C ATOM 779 C TRP A 54 -4.945 -0.996 3.945 1.00 0.00 C ATOM 780 O TRP A 54 -4.729 0.039 4.575 1.00 0.00 O ATOM 781 CB TRP A 54 -5.400 -1.214 1.495 1.00 0.00 C ATOM 782 CG TRP A 54 -6.365 -0.991 0.370 1.00 0.00 C ATOM 783 CD1 TRP A 54 -7.704 -1.260 0.373 1.00 0.00 C ATOM 784 CD2 TRP A 54 -6.064 -0.455 -0.923 1.00 0.00 C ATOM 785 NE1 TRP A 54 -8.253 -0.923 -0.841 1.00 0.00 N ATOM 786 CE2 TRP A 54 -7.268 -0.427 -1.653 1.00 0.00 C ATOM 787 CE3 TRP A 54 -4.894 0.005 -1.535 1.00 0.00 C ATOM 788 CZ2 TRP A 54 -7.334 0.043 -2.962 1.00 0.00 C ATOM 789 CZ3 TRP A 54 -4.961 0.470 -2.834 1.00 0.00 C ATOM 790 CH2 TRP A 54 -6.174 0.487 -3.536 1.00 0.00 C ATOM 0 H TRP A 54 -6.415 0.982 2.501 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.677 -1.901 3.082 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.569 -0.515 1.396 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.983 -2.218 1.413 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.251 -1.676 1.206 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.235 -1.026 -1.096 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -3.955 -0.003 -1.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -8.268 0.057 -3.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.063 0.827 -3.317 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -6.193 0.858 -4.550 1.00 0.00 H new ATOM 801 N GLU A 55 -4.264 -2.120 4.143 1.00 0.00 N ATOM 802 CA GLU A 55 -3.199 -2.202 5.136 1.00 0.00 C ATOM 803 C GLU A 55 -1.853 -2.469 4.469 1.00 0.00 C ATOM 804 O GLU A 55 -1.612 -3.556 3.945 1.00 0.00 O ATOM 805 CB GLU A 55 -3.504 -3.303 6.153 1.00 0.00 C ATOM 806 CG GLU A 55 -2.800 -3.113 7.486 1.00 0.00 C ATOM 807 CD GLU A 55 -2.626 -4.414 8.246 1.00 0.00 C ATOM 808 OE1 GLU A 55 -1.952 -5.323 7.717 1.00 0.00 O ATOM 809 OE2 GLU A 55 -3.163 -4.523 9.367 1.00 0.00 O ATOM 0 H GLU A 55 -4.430 -2.986 3.630 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.145 -1.244 5.654 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.580 -3.341 6.322 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.213 -4.265 5.732 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.822 -2.663 7.315 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.370 -2.413 8.097 1.00 0.00 H new ATOM 816 N GLY A 56 -0.978 -1.468 4.491 1.00 0.00 N ATOM 817 CA GLY A 56 0.333 -1.614 3.885 1.00 0.00 C ATOM 818 C GLY A 56 1.453 -1.217 4.826 1.00 0.00 C ATOM 819 O GLY A 56 1.210 -0.621 5.874 1.00 0.00 O ATOM 0 H GLY A 56 -1.154 -0.558 4.918 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.473 -2.649 3.574 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.384 -1.001 2.985 1.00 0.00 H new ATOM 823 N GLU A 57 2.684 -1.551 4.451 1.00 0.00 N ATOM 824 CA GLU A 57 3.846 -1.227 5.270 1.00 0.00 C ATOM 825 C GLU A 57 4.782 -0.272 4.535 1.00 0.00 C ATOM 826 O GLU A 57 5.270 -0.578 3.447 1.00 0.00 O ATOM 827 CB GLU A 57 4.599 -2.503 5.653 1.00 0.00 C ATOM 828 CG GLU A 57 5.636 -2.294 6.744 1.00 0.00 C ATOM 829 CD GLU A 57 7.001 -1.935 6.191 1.00 0.00 C ATOM 830 OE1 GLU A 57 7.474 -2.639 5.274 1.00 0.00 O ATOM 831 OE2 GLU A 57 7.597 -0.950 6.674 1.00 0.00 O ATOM 0 H GLU A 57 2.902 -2.045 3.586 1.00 0.00 H new ATOM 0 HA GLU A 57 3.493 -0.735 6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.881 -3.253 5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.092 -2.904 4.767 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.299 -1.502 7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.718 -3.202 7.341 1.00 0.00 H new ATOM 838 N VAL A 58 5.028 0.887 5.138 1.00 0.00 N ATOM 839 CA VAL A 58 5.905 1.888 4.542 1.00 0.00 C ATOM 840 C VAL A 58 6.768 2.563 5.601 1.00 0.00 C ATOM 841 O VAL A 58 6.264 3.029 6.622 1.00 0.00 O ATOM 842 CB VAL A 58 5.099 2.964 3.790 1.00 0.00 C ATOM 843 CG1 VAL A 58 6.022 4.053 3.266 1.00 0.00 C ATOM 844 CG2 VAL A 58 4.303 2.337 2.655 1.00 0.00 C ATOM 0 H VAL A 58 4.632 1.156 6.039 1.00 0.00 H new ATOM 0 HA VAL A 58 6.547 1.365 3.834 1.00 0.00 H new ATOM 0 HB VAL A 58 4.396 3.421 4.487 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.435 4.804 2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.543 4.521 4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.750 3.615 2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.740 3.111 2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.985 1.853 1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.613 1.597 3.060 1.00 0.00 H new ATOM 854 N ASN A 59 8.072 2.612 5.351 1.00 0.00 N ATOM 855 CA ASN A 59 9.007 3.230 6.284 1.00 0.00 C ATOM 856 C ASN A 59 8.902 2.590 7.665 1.00 0.00 C ATOM 857 O ASN A 59 8.871 3.282 8.681 1.00 0.00 O ATOM 858 CB ASN A 59 8.740 4.734 6.385 1.00 0.00 C ATOM 859 CG ASN A 59 8.516 5.374 5.029 1.00 0.00 C ATOM 860 OD1 ASN A 59 9.159 5.009 4.044 1.00 0.00 O ATOM 861 ND2 ASN A 59 7.601 6.334 4.971 1.00 0.00 N ATOM 0 H ASN A 59 8.505 2.231 4.510 1.00 0.00 H new ATOM 0 HA ASN A 59 10.017 3.071 5.906 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.865 4.903 7.013 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.584 5.218 6.877 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.407 6.801 4.085 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.092 6.605 5.812 1.00 0.00 H new ATOM 868 N GLY A 60 8.847 1.261 7.692 1.00 0.00 N ATOM 869 CA GLY A 60 8.746 0.549 8.953 1.00 0.00 C ATOM 870 C GLY A 60 7.507 0.931 9.737 1.00 0.00 C ATOM 871 O GLY A 60 7.556 1.072 10.959 1.00 0.00 O ATOM 0 H GLY A 60 8.871 0.666 6.864 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.734 -0.524 8.761 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.631 0.755 9.555 1.00 0.00 H new ATOM 875 N ARG A 61 6.392 1.101 9.033 1.00 0.00 N ATOM 876 CA ARG A 61 5.135 1.473 9.672 1.00 0.00 C ATOM 877 C ARG A 61 3.946 0.917 8.894 1.00 0.00 C ATOM 878 O ARG A 61 3.997 0.781 7.672 1.00 0.00 O ATOM 879 CB ARG A 61 5.022 2.995 9.777 1.00 0.00 C ATOM 880 CG ARG A 61 5.802 3.584 10.941 1.00 0.00 C ATOM 881 CD ARG A 61 5.859 5.102 10.862 1.00 0.00 C ATOM 882 NE ARG A 61 4.602 5.719 11.277 1.00 0.00 N ATOM 883 CZ ARG A 61 4.485 7.003 11.598 1.00 0.00 C ATOM 884 NH1 ARG A 61 5.543 7.800 11.552 1.00 0.00 N ATOM 885 NH2 ARG A 61 3.307 7.490 11.967 1.00 0.00 N ATOM 0 H ARG A 61 6.334 0.987 8.021 1.00 0.00 H new ATOM 0 HA ARG A 61 5.125 1.045 10.674 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.378 3.442 8.849 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.971 3.267 9.880 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.337 3.285 11.880 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.815 3.180 10.943 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.668 5.468 11.494 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.091 5.403 9.841 1.00 0.00 H new ATOM 0 HE ARG A 61 3.769 5.132 11.323 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.450 7.428 11.270 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.450 8.785 11.799 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.491 6.879 12.004 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.217 8.476 12.213 1.00 0.00 H new ATOM 899 N LYS A 62 2.875 0.595 9.612 1.00 0.00 N ATOM 900 CA LYS A 62 1.671 0.054 8.991 1.00 0.00 C ATOM 901 C LYS A 62 0.447 0.883 9.366 1.00 0.00 C ATOM 902 O LYS A 62 0.112 1.017 10.542 1.00 0.00 O ATOM 903 CB LYS A 62 1.464 -1.402 9.415 1.00 0.00 C ATOM 904 CG LYS A 62 2.572 -2.333 8.955 1.00 0.00 C ATOM 905 CD LYS A 62 2.320 -3.763 9.400 1.00 0.00 C ATOM 906 CE LYS A 62 2.694 -3.966 10.861 1.00 0.00 C ATOM 907 NZ LYS A 62 2.898 -5.405 11.186 1.00 0.00 N ATOM 0 H LYS A 62 2.816 0.699 10.625 1.00 0.00 H new ATOM 0 HA LYS A 62 1.799 0.096 7.909 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.390 -1.448 10.501 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.514 -1.756 9.015 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.650 -2.298 7.868 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.526 -1.990 9.355 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.268 -4.011 9.255 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.897 -4.446 8.777 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.605 -3.411 11.083 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.909 -3.558 11.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.151 -5.502 12.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.021 -5.931 10.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.665 -5.789 10.597 1.00 0.00 H new ATOM 921 N GLY A 63 -0.220 1.435 8.356 1.00 0.00 N ATOM 922 CA GLY A 63 -1.401 2.242 8.601 1.00 0.00 C ATOM 923 C GLY A 63 -2.348 2.256 7.418 1.00 0.00 C ATOM 924 O GLY A 63 -2.008 1.780 6.334 1.00 0.00 O ATOM 0 H GLY A 63 0.037 1.338 7.374 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.924 1.859 9.477 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.098 3.263 8.832 1.00 0.00 H new ATOM 928 N LEU A 64 -3.542 2.802 7.624 1.00 0.00 N ATOM 929 CA LEU A 64 -4.543 2.874 6.566 1.00 0.00 C ATOM 930 C LEU A 64 -4.322 4.103 5.689 1.00 0.00 C ATOM 931 O LEU A 64 -4.337 5.235 6.173 1.00 0.00 O ATOM 932 CB LEU A 64 -5.949 2.911 7.168 1.00 0.00 C ATOM 933 CG LEU A 64 -6.349 1.700 8.013 1.00 0.00 C ATOM 934 CD1 LEU A 64 -7.746 1.886 8.585 1.00 0.00 C ATOM 935 CD2 LEU A 64 -6.275 0.425 7.186 1.00 0.00 C ATOM 0 H LEU A 64 -3.840 3.201 8.514 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.443 1.984 5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.035 3.805 7.786 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.668 3.016 6.355 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.648 1.613 8.843 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.013 1.015 9.183 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.767 2.777 9.212 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.461 2.000 7.770 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.563 -0.426 7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.953 0.503 6.336 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.256 0.284 6.826 1.00 0.00 H new ATOM 947 N PHE A 65 -4.117 3.872 4.397 1.00 0.00 N ATOM 948 CA PHE A 65 -3.893 4.959 3.452 1.00 0.00 C ATOM 949 C PHE A 65 -4.934 4.933 2.336 1.00 0.00 C ATOM 950 O PHE A 65 -5.355 3.874 1.870 1.00 0.00 O ATOM 951 CB PHE A 65 -2.487 4.865 2.856 1.00 0.00 C ATOM 952 CG PHE A 65 -2.224 3.569 2.143 1.00 0.00 C ATOM 953 CD1 PHE A 65 -2.003 2.402 2.856 1.00 0.00 C ATOM 954 CD2 PHE A 65 -2.198 3.518 0.758 1.00 0.00 C ATOM 955 CE1 PHE A 65 -1.761 1.209 2.203 1.00 0.00 C ATOM 956 CE2 PHE A 65 -1.958 2.327 0.099 1.00 0.00 C ATOM 957 CZ PHE A 65 -1.738 1.171 0.823 1.00 0.00 C ATOM 0 H PHE A 65 -4.101 2.941 3.980 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.988 5.901 3.992 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.340 5.690 2.159 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.754 4.987 3.653 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.020 2.425 3.936 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.367 4.419 0.187 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.590 0.307 2.771 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.942 2.300 -0.981 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.548 0.239 0.310 1.00 0.00 H new ATOM 967 N PRO A 66 -5.359 6.127 1.896 1.00 0.00 N ATOM 968 CA PRO A 66 -6.355 6.268 0.829 1.00 0.00 C ATOM 969 C PRO A 66 -5.810 5.851 -0.532 1.00 0.00 C ATOM 970 O PRO A 66 -4.864 6.450 -1.044 1.00 0.00 O ATOM 971 CB PRO A 66 -6.676 7.765 0.841 1.00 0.00 C ATOM 972 CG PRO A 66 -5.460 8.409 1.411 1.00 0.00 C ATOM 973 CD PRO A 66 -4.900 7.430 2.405 1.00 0.00 C ATOM 0 HA PRO A 66 -7.223 5.630 0.994 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -6.885 8.133 -0.163 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.557 7.976 1.447 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.733 8.631 0.630 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.709 9.355 1.892 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.812 7.483 2.452 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.272 7.622 3.411 1.00 0.00 H new ATOM 981 N PHE A 67 -6.413 4.820 -1.115 1.00 0.00 N ATOM 982 CA PHE A 67 -5.988 4.322 -2.418 1.00 0.00 C ATOM 983 C PHE A 67 -6.003 5.438 -3.458 1.00 0.00 C ATOM 984 O PHE A 67 -5.268 5.393 -4.446 1.00 0.00 O ATOM 985 CB PHE A 67 -6.895 3.176 -2.870 1.00 0.00 C ATOM 986 CG PHE A 67 -8.349 3.548 -2.926 1.00 0.00 C ATOM 987 CD1 PHE A 67 -8.892 4.098 -4.076 1.00 0.00 C ATOM 988 CD2 PHE A 67 -9.172 3.347 -1.830 1.00 0.00 C ATOM 989 CE1 PHE A 67 -10.230 4.443 -4.130 1.00 0.00 C ATOM 990 CE2 PHE A 67 -10.510 3.689 -1.878 1.00 0.00 C ATOM 991 CZ PHE A 67 -11.040 4.236 -3.030 1.00 0.00 C ATOM 0 H PHE A 67 -7.198 4.313 -0.705 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.967 3.952 -2.323 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -6.576 2.839 -3.856 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -6.770 2.334 -2.189 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -8.264 4.259 -4.939 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -8.763 2.918 -0.927 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -10.641 4.874 -5.031 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -11.140 3.529 -1.016 1.00 0.00 H new ATOM 0 HZ PHE A 67 -12.086 4.502 -3.071 1.00 0.00 H new ATOM 1001 N THR A 68 -6.845 6.441 -3.230 1.00 0.00 N ATOM 1002 CA THR A 68 -6.958 7.568 -4.146 1.00 0.00 C ATOM 1003 C THR A 68 -5.668 8.379 -4.182 1.00 0.00 C ATOM 1004 O THR A 68 -5.300 8.934 -5.219 1.00 0.00 O ATOM 1005 CB THR A 68 -8.124 8.496 -3.755 1.00 0.00 C ATOM 1006 OG1 THR A 68 -8.045 8.821 -2.362 1.00 0.00 O ATOM 1007 CG2 THR A 68 -9.463 7.838 -4.052 1.00 0.00 C ATOM 0 H THR A 68 -7.459 6.495 -2.417 1.00 0.00 H new ATOM 0 HA THR A 68 -7.150 7.153 -5.135 1.00 0.00 H new ATOM 0 HB THR A 68 -8.047 9.409 -4.346 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.239 9.352 -2.195 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.271 8.512 -3.768 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.532 7.618 -5.117 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.547 6.911 -3.484 1.00 0.00 H new ATOM 1015 N HIS A 69 -4.984 8.444 -3.045 1.00 0.00 N ATOM 1016 CA HIS A 69 -3.732 9.187 -2.947 1.00 0.00 C ATOM 1017 C HIS A 69 -2.611 8.463 -3.687 1.00 0.00 C ATOM 1018 O HIS A 69 -1.737 9.094 -4.282 1.00 0.00 O ATOM 1019 CB HIS A 69 -3.346 9.386 -1.481 1.00 0.00 C ATOM 1020 CG HIS A 69 -4.149 10.444 -0.788 1.00 0.00 C ATOM 1021 ND1 HIS A 69 -5.503 10.612 -0.987 1.00 0.00 N ATOM 1022 CD2 HIS A 69 -3.781 11.390 0.107 1.00 0.00 C ATOM 1023 CE1 HIS A 69 -5.933 11.617 -0.246 1.00 0.00 C ATOM 1024 NE2 HIS A 69 -4.908 12.106 0.429 1.00 0.00 N ATOM 0 H HIS A 69 -5.275 7.992 -2.178 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.879 10.162 -3.412 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.469 8.442 -0.950 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.289 9.648 -1.424 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -2.786 11.552 0.496 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -6.950 11.978 -0.200 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.947 12.888 1.083 1.00 0.00 H new ATOM 1033 N VAL A 70 -2.643 7.135 -3.646 1.00 0.00 N ATOM 1034 CA VAL A 70 -1.630 6.325 -4.312 1.00 0.00 C ATOM 1035 C VAL A 70 -2.119 5.845 -5.674 1.00 0.00 C ATOM 1036 O VAL A 70 -3.296 5.984 -6.008 1.00 0.00 O ATOM 1037 CB VAL A 70 -1.238 5.103 -3.460 1.00 0.00 C ATOM 1038 CG1 VAL A 70 -0.713 5.546 -2.102 1.00 0.00 C ATOM 1039 CG2 VAL A 70 -2.422 4.162 -3.302 1.00 0.00 C ATOM 0 H VAL A 70 -3.360 6.597 -3.159 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.755 6.961 -4.446 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.441 4.564 -3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.441 4.670 -1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.165 6.178 -2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.486 6.109 -1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.127 3.304 -2.697 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.241 4.687 -2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.748 3.819 -4.284 1.00 0.00 H new ATOM 1049 N LYS A 71 -1.208 5.278 -6.458 1.00 0.00 N ATOM 1050 CA LYS A 71 -1.545 4.774 -7.784 1.00 0.00 C ATOM 1051 C LYS A 71 -1.023 3.354 -7.976 1.00 0.00 C ATOM 1052 O LYS A 71 0.167 3.092 -7.798 1.00 0.00 O ATOM 1053 CB LYS A 71 -0.967 5.692 -8.863 1.00 0.00 C ATOM 1054 CG LYS A 71 -1.457 5.369 -10.264 1.00 0.00 C ATOM 1055 CD LYS A 71 -0.632 6.082 -11.322 1.00 0.00 C ATOM 1056 CE LYS A 71 -1.133 7.499 -11.558 1.00 0.00 C ATOM 1057 NZ LYS A 71 -2.284 7.529 -12.503 1.00 0.00 N ATOM 0 H LYS A 71 -0.229 5.156 -6.197 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.631 4.757 -7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.225 6.724 -8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.121 5.623 -8.843 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.409 4.293 -10.428 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.503 5.659 -10.360 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.413 6.111 -11.012 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.672 5.521 -12.255 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.431 7.942 -10.608 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.322 8.110 -11.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.597 8.512 -12.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.993 7.130 -13.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.068 6.967 -12.114 1.00 0.00 H new ATOM 1071 N ILE A 72 -1.919 2.443 -8.340 1.00 0.00 N ATOM 1072 CA ILE A 72 -1.546 1.051 -8.559 1.00 0.00 C ATOM 1073 C ILE A 72 -0.690 0.901 -9.812 1.00 0.00 C ATOM 1074 O ILE A 72 -1.100 1.287 -10.907 1.00 0.00 O ATOM 1075 CB ILE A 72 -2.788 0.150 -8.688 1.00 0.00 C ATOM 1076 CG1 ILE A 72 -3.658 0.259 -7.434 1.00 0.00 C ATOM 1077 CG2 ILE A 72 -2.372 -1.294 -8.927 1.00 0.00 C ATOM 1078 CD1 ILE A 72 -2.958 -0.195 -6.172 1.00 0.00 C ATOM 0 H ILE A 72 -2.908 2.644 -8.489 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.969 0.738 -7.689 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.374 0.485 -9.543 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.976 1.294 -7.311 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.560 -0.337 -7.574 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.261 -1.919 -9.016 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.790 -1.358 -9.847 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.767 -1.642 -8.090 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.634 -0.090 -5.323 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.664 -1.240 -6.275 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.071 0.417 -6.008 1.00 0.00 H new ATOM 1090 N PHE A 73 0.501 0.337 -9.644 1.00 0.00 N ATOM 1091 CA PHE A 73 1.416 0.134 -10.761 1.00 0.00 C ATOM 1092 C PHE A 73 2.309 -1.079 -10.520 1.00 0.00 C ATOM 1093 O PHE A 73 2.624 -1.415 -9.378 1.00 0.00 O ATOM 1094 CB PHE A 73 2.277 1.381 -10.975 1.00 0.00 C ATOM 1095 CG PHE A 73 3.535 1.389 -10.155 1.00 0.00 C ATOM 1096 CD1 PHE A 73 3.475 1.339 -8.771 1.00 0.00 C ATOM 1097 CD2 PHE A 73 4.776 1.447 -10.766 1.00 0.00 C ATOM 1098 CE1 PHE A 73 4.631 1.345 -8.013 1.00 0.00 C ATOM 1099 CE2 PHE A 73 5.935 1.454 -10.013 1.00 0.00 C ATOM 1100 CZ PHE A 73 5.862 1.404 -8.635 1.00 0.00 C ATOM 0 H PHE A 73 0.855 0.012 -8.744 1.00 0.00 H new ATOM 0 HA PHE A 73 0.822 -0.047 -11.657 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.540 1.454 -12.030 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.688 2.265 -10.731 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.514 1.295 -8.279 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.839 1.487 -11.843 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.571 1.304 -6.935 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.897 1.499 -10.502 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.766 1.411 -8.045 1.00 0.00 H new ATOM 1110 N ASP A 74 2.713 -1.734 -11.603 1.00 0.00 N ATOM 1111 CA ASP A 74 3.570 -2.910 -11.511 1.00 0.00 C ATOM 1112 C ASP A 74 5.037 -2.528 -11.681 1.00 0.00 C ATOM 1113 O ASP A 74 5.506 -2.245 -12.784 1.00 0.00 O ATOM 1114 CB ASP A 74 3.173 -3.941 -12.569 1.00 0.00 C ATOM 1115 CG ASP A 74 2.779 -3.298 -13.884 1.00 0.00 C ATOM 1116 OD1 ASP A 74 1.672 -2.724 -13.957 1.00 0.00 O ATOM 1117 OD2 ASP A 74 3.577 -3.369 -14.841 1.00 0.00 O ATOM 0 H ASP A 74 2.460 -1.470 -12.555 1.00 0.00 H new ATOM 0 HA ASP A 74 3.439 -3.348 -10.521 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.006 -4.624 -12.737 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.341 -4.538 -12.196 1.00 0.00 H new ATOM 1122 N PRO A 75 5.779 -2.517 -10.564 1.00 0.00 N ATOM 1123 CA PRO A 75 7.203 -2.171 -10.563 1.00 0.00 C ATOM 1124 C PRO A 75 8.060 -3.236 -11.239 1.00 0.00 C ATOM 1125 O PRO A 75 9.283 -3.117 -11.296 1.00 0.00 O ATOM 1126 CB PRO A 75 7.545 -2.076 -9.074 1.00 0.00 C ATOM 1127 CG PRO A 75 6.544 -2.949 -8.400 1.00 0.00 C ATOM 1128 CD PRO A 75 5.285 -2.843 -9.216 1.00 0.00 C ATOM 0 HA PRO A 75 7.399 -1.254 -11.119 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.562 -2.416 -8.879 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.478 -1.048 -8.717 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.894 -3.980 -8.354 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.372 -2.625 -7.374 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.722 -3.776 -9.209 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.622 -2.068 -8.833 1.00 0.00 H new ATOM 1136 N GLN A 76 7.408 -4.276 -11.749 1.00 0.00 N ATOM 1137 CA GLN A 76 8.111 -5.363 -12.421 1.00 0.00 C ATOM 1138 C GLN A 76 9.069 -6.065 -11.464 1.00 0.00 C ATOM 1139 O GLN A 76 10.254 -6.218 -11.759 1.00 0.00 O ATOM 1140 CB GLN A 76 8.880 -4.830 -13.631 1.00 0.00 C ATOM 1141 CG GLN A 76 8.066 -4.825 -14.915 1.00 0.00 C ATOM 1142 CD GLN A 76 8.756 -4.080 -16.041 1.00 0.00 C ATOM 1143 OE1 GLN A 76 9.947 -3.778 -15.963 1.00 0.00 O ATOM 1144 NE2 GLN A 76 8.009 -3.779 -17.097 1.00 0.00 N ATOM 0 H GLN A 76 6.395 -4.389 -11.710 1.00 0.00 H new ATOM 0 HA GLN A 76 7.370 -6.087 -12.760 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.216 -3.815 -13.419 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.773 -5.437 -13.779 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.879 -5.853 -15.226 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.095 -4.368 -14.723 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.026 -4.049 -17.120 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.419 -3.278 -17.885 1.00 0.00 H new ATOM 1153 N ASN A 77 8.548 -6.489 -10.318 1.00 0.00 N ATOM 1154 CA ASN A 77 9.357 -7.174 -9.317 1.00 0.00 C ATOM 1155 C ASN A 77 8.822 -8.578 -9.053 1.00 0.00 C ATOM 1156 O ASN A 77 7.618 -8.794 -8.912 1.00 0.00 O ATOM 1157 CB ASN A 77 9.382 -6.372 -8.014 1.00 0.00 C ATOM 1158 CG ASN A 77 10.383 -5.234 -8.055 1.00 0.00 C ATOM 1159 OD1 ASN A 77 10.270 -4.321 -8.874 1.00 0.00 O ATOM 1160 ND2 ASN A 77 11.371 -5.283 -7.169 1.00 0.00 N ATOM 0 H ASN A 77 7.569 -6.370 -10.059 1.00 0.00 H new ATOM 0 HA ASN A 77 10.373 -7.258 -9.703 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.388 -5.971 -7.818 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.626 -7.037 -7.186 1.00 0.00 H new ATOM 0 HD21 ASN A 77 12.075 -4.545 -7.149 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.426 -6.058 -6.509 1.00 0.00 H new ATOM 1167 N PRO A 78 9.737 -9.557 -8.983 1.00 0.00 N ATOM 1168 CA PRO A 78 9.381 -10.957 -8.734 1.00 0.00 C ATOM 1169 C PRO A 78 8.886 -11.185 -7.310 1.00 0.00 C ATOM 1170 O PRO A 78 8.492 -12.294 -6.950 1.00 0.00 O ATOM 1171 CB PRO A 78 10.696 -11.704 -8.969 1.00 0.00 C ATOM 1172 CG PRO A 78 11.759 -10.693 -8.706 1.00 0.00 C ATOM 1173 CD PRO A 78 11.189 -9.371 -9.142 1.00 0.00 C ATOM 0 HA PRO A 78 8.565 -11.290 -9.375 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.790 -12.560 -8.301 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.757 -12.087 -9.988 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.026 -10.673 -7.649 1.00 0.00 H new ATOM 0 HG3 PRO A 78 12.667 -10.928 -9.260 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.559 -8.551 -8.526 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.454 -9.140 -10.174 1.00 0.00 H new ATOM 1181 N ASP A 79 8.908 -10.128 -6.505 1.00 0.00 N ATOM 1182 CA ASP A 79 8.460 -10.213 -5.120 1.00 0.00 C ATOM 1183 C ASP A 79 7.192 -11.054 -5.010 1.00 0.00 C ATOM 1184 O ASP A 79 6.427 -11.169 -5.967 1.00 0.00 O ATOM 1185 CB ASP A 79 8.208 -8.813 -4.556 1.00 0.00 C ATOM 1186 CG ASP A 79 8.034 -8.818 -3.050 1.00 0.00 C ATOM 1187 OD1 ASP A 79 8.733 -9.603 -2.375 1.00 0.00 O ATOM 1188 OD2 ASP A 79 7.200 -8.037 -2.547 1.00 0.00 O ATOM 0 H ASP A 79 9.231 -9.203 -6.788 1.00 0.00 H new ATOM 0 HA ASP A 79 9.246 -10.695 -4.539 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.042 -8.163 -4.820 1.00 0.00 H new ATOM 0 HB3 ASP A 79 7.316 -8.393 -5.020 1.00 0.00 H new ATOM 1193 N GLU A 80 6.978 -11.642 -3.836 1.00 0.00 N ATOM 1194 CA GLU A 80 5.804 -12.474 -3.603 1.00 0.00 C ATOM 1195 C GLU A 80 5.599 -12.720 -2.111 1.00 0.00 C ATOM 1196 O GLU A 80 6.522 -13.124 -1.405 1.00 0.00 O ATOM 1197 CB GLU A 80 5.944 -13.810 -4.336 1.00 0.00 C ATOM 1198 CG GLU A 80 7.122 -14.644 -3.861 1.00 0.00 C ATOM 1199 CD GLU A 80 6.783 -15.497 -2.653 1.00 0.00 C ATOM 1200 OE1 GLU A 80 5.824 -16.292 -2.740 1.00 0.00 O ATOM 1201 OE2 GLU A 80 7.476 -15.369 -1.623 1.00 0.00 O ATOM 0 H GLU A 80 7.602 -11.557 -3.033 1.00 0.00 H new ATOM 0 HA GLU A 80 4.933 -11.945 -3.990 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.027 -14.384 -4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.052 -13.619 -5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 80 7.457 -15.288 -4.674 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.953 -13.984 -3.613 1.00 0.00 H new ATOM 1208 N ASN A 81 4.382 -12.472 -1.638 1.00 0.00 N ATOM 1209 CA ASN A 81 4.055 -12.664 -0.229 1.00 0.00 C ATOM 1210 C ASN A 81 4.107 -14.143 0.144 1.00 0.00 C ATOM 1211 O ASN A 81 4.118 -15.012 -0.727 1.00 0.00 O ATOM 1212 CB ASN A 81 2.667 -12.098 0.076 1.00 0.00 C ATOM 1213 CG ASN A 81 2.516 -11.689 1.528 1.00 0.00 C ATOM 1214 OD1 ASN A 81 3.350 -12.024 2.369 1.00 0.00 O ATOM 1215 ND2 ASN A 81 1.447 -10.960 1.829 1.00 0.00 N ATOM 0 H ASN A 81 3.606 -12.138 -2.209 1.00 0.00 H new ATOM 0 HA ASN A 81 4.796 -12.131 0.367 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.481 -11.235 -0.563 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.911 -12.844 -0.169 1.00 0.00 H new ATOM 0 HD21 ASN A 81 1.292 -10.655 2.790 1.00 0.00 H new ATOM 0 HD22 ASN A 81 0.781 -10.705 1.099 1.00 0.00 H new ATOM 1222 N GLU A 82 4.138 -14.419 1.444 1.00 0.00 N ATOM 1223 CA GLU A 82 4.189 -15.792 1.932 1.00 0.00 C ATOM 1224 C GLU A 82 2.951 -16.121 2.761 1.00 0.00 C ATOM 1225 O GLU A 82 2.291 -17.135 2.534 1.00 0.00 O ATOM 1226 CB GLU A 82 5.451 -16.013 2.769 1.00 0.00 C ATOM 1227 CG GLU A 82 5.605 -17.438 3.273 1.00 0.00 C ATOM 1228 CD GLU A 82 6.038 -18.399 2.182 1.00 0.00 C ATOM 1229 OE1 GLU A 82 7.008 -18.080 1.463 1.00 0.00 O ATOM 1230 OE2 GLU A 82 5.408 -19.468 2.048 1.00 0.00 O ATOM 0 H GLU A 82 4.129 -13.710 2.178 1.00 0.00 H new ATOM 0 HA GLU A 82 4.214 -16.457 1.069 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.324 -15.752 2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.435 -15.335 3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.337 -17.457 4.080 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.658 -17.775 3.694 1.00 0.00 H new ATOM 1237 N SER A 83 2.643 -15.257 3.723 1.00 0.00 N ATOM 1238 CA SER A 83 1.488 -15.458 4.589 1.00 0.00 C ATOM 1239 C SER A 83 0.323 -16.061 3.810 1.00 0.00 C ATOM 1240 O SER A 83 -0.292 -17.034 4.245 1.00 0.00 O ATOM 1241 CB SER A 83 1.061 -14.131 5.220 1.00 0.00 C ATOM 1242 OG SER A 83 1.753 -13.898 6.435 1.00 0.00 O ATOM 0 H SER A 83 3.177 -14.411 3.922 1.00 0.00 H new ATOM 0 HA SER A 83 1.773 -16.153 5.378 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.256 -13.315 4.525 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.013 -14.142 5.406 1.00 0.00 H new ATOM 0 HG SER A 83 1.464 -13.043 6.817 1.00 0.00 H new ATOM 1248 N GLY A 84 0.025 -15.475 2.654 1.00 0.00 N ATOM 1249 CA GLY A 84 -1.064 -15.968 1.832 1.00 0.00 C ATOM 1250 C GLY A 84 -2.391 -15.323 2.181 1.00 0.00 C ATOM 1251 O GLY A 84 -3.232 -15.911 2.861 1.00 0.00 O ATOM 0 H GLY A 84 0.518 -14.668 2.273 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.837 -15.780 0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -1.146 -17.048 1.952 1.00 0.00 H new ATOM 1255 N PRO A 85 -2.592 -14.083 1.710 1.00 0.00 N ATOM 1256 CA PRO A 85 -3.824 -13.330 1.965 1.00 0.00 C ATOM 1257 C PRO A 85 -5.023 -13.911 1.223 1.00 0.00 C ATOM 1258 O PRO A 85 -6.140 -13.408 1.339 1.00 0.00 O ATOM 1259 CB PRO A 85 -3.498 -11.929 1.440 1.00 0.00 C ATOM 1260 CG PRO A 85 -2.440 -12.146 0.414 1.00 0.00 C ATOM 1261 CD PRO A 85 -1.633 -13.321 0.893 1.00 0.00 C ATOM 0 HA PRO A 85 -4.104 -13.351 3.018 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -4.378 -11.454 1.007 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.146 -11.278 2.240 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.879 -12.347 -0.563 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.814 -11.260 0.306 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.254 -13.914 0.061 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.770 -13.004 1.478 1.00 0.00 H new ATOM 1269 N SER A 86 -4.783 -14.974 0.462 1.00 0.00 N ATOM 1270 CA SER A 86 -5.843 -15.622 -0.301 1.00 0.00 C ATOM 1271 C SER A 86 -7.140 -15.667 0.501 1.00 0.00 C ATOM 1272 O SER A 86 -8.213 -15.357 -0.016 1.00 0.00 O ATOM 1273 CB SER A 86 -5.424 -17.040 -0.694 1.00 0.00 C ATOM 1274 OG SER A 86 -6.066 -17.449 -1.890 1.00 0.00 O ATOM 0 H SER A 86 -3.864 -15.405 0.358 1.00 0.00 H new ATOM 0 HA SER A 86 -6.015 -15.038 -1.205 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.343 -17.080 -0.826 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.672 -17.732 0.111 1.00 0.00 H new ATOM 0 HG SER A 86 -5.780 -18.358 -2.120 1.00 0.00 H new ATOM 1280 N SER A 87 -7.033 -16.056 1.767 1.00 0.00 N ATOM 1281 CA SER A 87 -8.197 -16.146 2.641 1.00 0.00 C ATOM 1282 C SER A 87 -7.813 -15.858 4.089 1.00 0.00 C ATOM 1283 O SER A 87 -6.874 -16.446 4.623 1.00 0.00 O ATOM 1284 CB SER A 87 -8.833 -17.534 2.537 1.00 0.00 C ATOM 1285 OG SER A 87 -8.181 -18.459 3.390 1.00 0.00 O ATOM 0 H SER A 87 -6.152 -16.314 2.211 1.00 0.00 H new ATOM 0 HA SER A 87 -8.921 -15.397 2.319 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.889 -17.474 2.800 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.780 -17.885 1.506 1.00 0.00 H new ATOM 0 HG SER A 87 -7.395 -18.034 3.793 1.00 0.00 H new ATOM 1291 N GLY A 88 -8.548 -14.946 4.719 1.00 0.00 N ATOM 1292 CA GLY A 88 -8.270 -14.594 6.099 1.00 0.00 C ATOM 1293 C GLY A 88 -9.507 -14.656 6.974 1.00 0.00 C ATOM 1294 O GLY A 88 -10.350 -15.537 6.806 1.00 0.00 O ATOM 0 H GLY A 88 -9.331 -14.445 4.298 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.513 -15.269 6.497 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.852 -13.588 6.137 1.00 0.00 H new TER 1298 GLY A 88