USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 677 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 24 GLN : amide:sc= 0.628 K(o=0.89,f=-11!) USER MOD Set 1.2: A 28 LYS NZ :NH3+ -170:sc= 0.262 (180deg=-0.986) USER MOD Set 2.1: A 4 ASN : amide:sc= -4.88! C(o=-5.4!,f=-11!) USER MOD Set 2.2: A 6 TYR OH : rot -16:sc= 0.0359 USER MOD Set 2.3: A 78 SER OG : rot 41:sc= -0.528! USER MOD Set 3.1: A 3 GLN : amide:sc= -9.65! C(o=-8.8!,f=-14!) USER MOD Set 3.2: A 64 TYR OH : rot 57:sc= 0.83 USER MOD Single : A 1 MET CE :methyl -177:sc= -0.237 (180deg=-0.259) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0.57 (180deg=0.372) USER MOD Single : A 5 SER OG : rot 180:sc= 0.00133 USER MOD Single : A 12 THR OG1 : rot 86:sc= 0.167 USER MOD Single : A 15 HIS : no HD1:sc= -9.87! C(o=-9.9!,f=-9.8!) USER MOD Single : A 20 THR OG1 : rot 101:sc= 0.44 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0192 USER MOD Single : A 31 SER OG : rot 63:sc= -2.29 USER MOD Single : A 34 GLN : amide:sc= -2.8! C(o=-2.8!,f=-2.7!) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.18 USER MOD Single : A 38 ASN :FLIP amide:sc= -9.29! C(o=-11!,f=-9.3!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -120:sc= 0.291 (180deg=-0.036) USER MOD Single : A 43 ASN : amide:sc= -8.48! C(o=-8.5!,f=-26!) USER MOD Single : A 45 LYS NZ :NH3+ 162:sc= -0.201 (180deg=-0.868) USER MOD Single : A 46 SER OG : rot 180:sc= -1.2 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 150:sc= -1.17! (180deg=-3.49!) USER MOD Single : A 52 SER OG : rot 89:sc= 1.05 USER MOD Single : A 57 LYS NZ :NH3+ -150:sc= -0.442 (180deg=-2.19!) USER MOD Single : A 62 THR OG1 : rot -4:sc= -1.99! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 74:sc= -2.82! USER MOD Single : A 75 GLN :FLIP amide:sc= -0.976 F(o=-3.4!,f=-0.98) USER MOD Single : A 82 SER OG : rot 79:sc= 0.579 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.580 0.321 13.709 1.00 0.00 N ATOM 2 CA MET A 1 -8.520 0.639 12.768 1.00 0.00 C ATOM 3 C MET A 1 -7.390 -0.388 12.846 1.00 0.00 C ATOM 4 O MET A 1 -6.858 -0.651 13.924 1.00 0.00 O ATOM 5 CB MET A 1 -7.966 2.033 13.073 1.00 0.00 C ATOM 6 CG MET A 1 -6.902 2.437 12.051 1.00 0.00 C ATOM 7 SD MET A 1 -6.328 4.093 12.388 1.00 0.00 S ATOM 8 CE MET A 1 -7.694 5.034 11.730 1.00 0.00 C ATOM 0 H1 MET A 1 -10.433 0.866 13.469 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.794 -0.696 13.660 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.274 0.565 14.672 1.00 0.00 H new ATOM 0 HA MET A 1 -8.936 0.617 11.761 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.778 2.760 13.065 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.536 2.046 14.075 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.066 1.739 12.089 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.315 2.385 11.044 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.475 6.099 11.811 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.844 4.773 10.682 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.598 4.806 12.294 1.00 0.00 H new ATOM 18 N GLU A 2 -7.055 -0.943 11.690 1.00 0.00 N ATOM 19 CA GLU A 2 -5.997 -1.936 11.614 1.00 0.00 C ATOM 20 C GLU A 2 -5.081 -1.645 10.424 1.00 0.00 C ATOM 21 O GLU A 2 -5.554 -1.421 9.311 1.00 0.00 O ATOM 22 CB GLU A 2 -6.577 -3.349 11.527 1.00 0.00 C ATOM 23 CG GLU A 2 -6.140 -4.042 10.236 1.00 0.00 C ATOM 24 CD GLU A 2 -6.235 -5.564 10.371 1.00 0.00 C ATOM 25 OE1 GLU A 2 -5.908 -6.292 9.422 1.00 0.00 O ATOM 26 OE2 GLU A 2 -6.664 -5.984 11.513 1.00 0.00 O ATOM 0 H GLU A 2 -7.498 -0.723 10.798 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.404 -1.878 12.527 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.250 -3.934 12.387 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.665 -3.303 11.569 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.766 -3.707 9.409 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.116 -3.758 9.995 1.00 0.00 H new ATOM 34 N GLN A 3 -3.784 -1.659 10.699 1.00 0.00 N ATOM 35 CA GLN A 3 -2.797 -1.399 9.666 1.00 0.00 C ATOM 36 C GLN A 3 -1.860 -2.600 9.514 1.00 0.00 C ATOM 37 O GLN A 3 -2.005 -3.598 10.219 1.00 0.00 O ATOM 38 CB GLN A 3 -2.009 -0.124 9.968 1.00 0.00 C ATOM 39 CG GLN A 3 -1.026 -0.346 11.119 1.00 0.00 C ATOM 40 CD GLN A 3 0.315 0.335 10.834 1.00 0.00 C ATOM 41 OE1 GLN A 3 0.415 1.258 10.042 1.00 0.00 O ATOM 42 NE2 GLN A 3 1.334 -0.169 11.522 1.00 0.00 N ATOM 0 H GLN A 3 -3.395 -1.847 11.623 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.319 -1.248 8.721 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.466 0.192 9.077 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.698 0.681 10.224 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.448 0.047 12.044 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.871 -1.414 11.269 1.00 0.00 H new ATOM 0 HE21 GLN A 3 1.180 -0.942 12.169 1.00 0.00 H new ATOM 0 HE22 GLN A 3 2.270 0.218 11.403 1.00 0.00 H new ATOM 51 N ASN A 4 -0.920 -2.463 8.590 1.00 0.00 N ATOM 52 CA ASN A 4 0.041 -3.523 8.337 1.00 0.00 C ATOM 53 C ASN A 4 1.285 -2.930 7.674 1.00 0.00 C ATOM 54 O ASN A 4 1.179 -2.181 6.705 1.00 0.00 O ATOM 55 CB ASN A 4 -0.540 -4.579 7.393 1.00 0.00 C ATOM 56 CG ASN A 4 -1.303 -5.651 8.173 1.00 0.00 C ATOM 57 OD1 ASN A 4 -2.356 -5.412 8.740 1.00 0.00 O ATOM 58 ND2 ASN A 4 -0.714 -6.844 8.170 1.00 0.00 N ATOM 0 H ASN A 4 -0.804 -1.634 8.007 1.00 0.00 H new ATOM 0 HA ASN A 4 0.289 -3.989 9.291 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.207 -4.102 6.675 1.00 0.00 H new ATOM 0 HB3 ASN A 4 0.264 -5.043 6.822 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.144 -7.627 8.663 1.00 0.00 H new ATOM 0 HD22 ASN A 4 0.168 -6.976 7.675 1.00 0.00 H new ATOM 65 N SER A 5 2.436 -3.289 8.224 1.00 0.00 N ATOM 66 CA SER A 5 3.700 -2.801 7.698 1.00 0.00 C ATOM 67 C SER A 5 4.337 -3.863 6.799 1.00 0.00 C ATOM 68 O SER A 5 4.008 -5.044 6.898 1.00 0.00 O ATOM 69 CB SER A 5 4.657 -2.420 8.830 1.00 0.00 C ATOM 70 OG SER A 5 4.035 -2.510 10.108 1.00 0.00 O ATOM 0 H SER A 5 2.520 -3.911 9.028 1.00 0.00 H new ATOM 0 HA SER A 5 3.503 -1.906 7.108 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.528 -3.075 8.804 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.018 -1.403 8.673 1.00 0.00 H new ATOM 0 HG SER A 5 4.679 -2.261 10.803 1.00 0.00 H new ATOM 76 N TYR A 6 5.238 -3.404 5.942 1.00 0.00 N ATOM 77 CA TYR A 6 5.923 -4.299 5.027 1.00 0.00 C ATOM 78 C TYR A 6 7.282 -3.727 4.615 1.00 0.00 C ATOM 79 O TYR A 6 7.653 -2.633 5.037 1.00 0.00 O ATOM 80 CB TYR A 6 5.031 -4.402 3.789 1.00 0.00 C ATOM 81 CG TYR A 6 3.630 -4.945 4.076 1.00 0.00 C ATOM 82 CD1 TYR A 6 3.478 -6.156 4.720 1.00 0.00 C ATOM 83 CD2 TYR A 6 2.517 -4.224 3.691 1.00 0.00 C ATOM 84 CE1 TYR A 6 2.159 -6.667 4.991 1.00 0.00 C ATOM 85 CE2 TYR A 6 1.198 -4.736 3.961 1.00 0.00 C ATOM 86 CZ TYR A 6 1.085 -5.932 4.598 1.00 0.00 C ATOM 87 OH TYR A 6 -0.161 -6.415 4.853 1.00 0.00 O ATOM 0 H TYR A 6 5.509 -2.424 5.863 1.00 0.00 H new ATOM 0 HA TYR A 6 6.099 -5.267 5.497 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.941 -3.415 3.335 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.517 -5.047 3.056 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.348 -6.721 5.021 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.636 -3.276 3.187 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.026 -7.613 5.495 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.319 -4.183 3.664 1.00 0.00 H new ATOM 0 HH TYR A 6 -0.104 -7.369 5.072 1.00 0.00 H new ATOM 97 N VAL A 7 7.986 -4.493 3.794 1.00 0.00 N ATOM 98 CA VAL A 7 9.295 -4.076 3.321 1.00 0.00 C ATOM 99 C VAL A 7 9.363 -4.251 1.802 1.00 0.00 C ATOM 100 O VAL A 7 8.932 -5.273 1.272 1.00 0.00 O ATOM 101 CB VAL A 7 10.390 -4.848 4.060 1.00 0.00 C ATOM 102 CG1 VAL A 7 9.788 -5.945 4.940 1.00 0.00 C ATOM 103 CG2 VAL A 7 11.410 -5.429 3.079 1.00 0.00 C ATOM 0 H VAL A 7 7.675 -5.399 3.445 1.00 0.00 H new ATOM 0 HA VAL A 7 9.459 -3.020 3.535 1.00 0.00 H new ATOM 0 HB VAL A 7 10.914 -4.147 4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.587 -6.479 5.454 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.120 -5.496 5.675 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.227 -6.643 4.319 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.177 -5.972 3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.907 -6.109 2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.874 -4.620 2.515 1.00 0.00 H new ATOM 113 N ILE A 8 9.907 -3.237 1.145 1.00 0.00 N ATOM 114 CA ILE A 8 10.037 -3.266 -0.301 1.00 0.00 C ATOM 115 C ILE A 8 11.260 -4.102 -0.682 1.00 0.00 C ATOM 116 O ILE A 8 12.351 -3.891 -0.154 1.00 0.00 O ATOM 117 CB ILE A 8 10.064 -1.844 -0.866 1.00 0.00 C ATOM 118 CG1 ILE A 8 8.806 -1.071 -0.466 1.00 0.00 C ATOM 119 CG2 ILE A 8 10.272 -1.859 -2.381 1.00 0.00 C ATOM 120 CD1 ILE A 8 7.543 -1.850 -0.842 1.00 0.00 C ATOM 0 H ILE A 8 10.263 -2.390 1.588 1.00 0.00 H new ATOM 0 HA ILE A 8 9.169 -3.747 -0.752 1.00 0.00 H new ATOM 0 HB ILE A 8 10.915 -1.320 -0.431 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.816 -0.883 0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.799 -0.099 -0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.287 -0.836 -2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 8 11.220 -2.345 -2.613 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.458 -2.407 -2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.662 -1.279 -0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.525 -2.015 -1.919 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.542 -2.811 -0.328 1.00 0.00 H new ATOM 132 N ILE A 9 11.037 -5.035 -1.597 1.00 0.00 N ATOM 133 CA ILE A 9 12.107 -5.905 -2.056 1.00 0.00 C ATOM 134 C ILE A 9 12.246 -5.779 -3.574 1.00 0.00 C ATOM 135 O ILE A 9 13.117 -6.405 -4.176 1.00 0.00 O ATOM 136 CB ILE A 9 11.876 -7.338 -1.576 1.00 0.00 C ATOM 137 CG1 ILE A 9 10.665 -7.962 -2.276 1.00 0.00 C ATOM 138 CG2 ILE A 9 11.747 -7.394 -0.052 1.00 0.00 C ATOM 139 CD1 ILE A 9 10.727 -9.490 -2.221 1.00 0.00 C ATOM 0 H ILE A 9 10.131 -5.207 -2.033 1.00 0.00 H new ATOM 0 HA ILE A 9 13.059 -5.599 -1.622 1.00 0.00 H new ATOM 0 HB ILE A 9 12.748 -7.933 -1.847 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.747 -7.614 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.631 -7.633 -3.315 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.583 -8.425 0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.662 -7.017 0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.904 -6.780 0.265 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.856 -9.908 -2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 9 11.634 -9.835 -2.718 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.736 -9.817 -1.181 1.00 0.00 H new ATOM 151 N ASP A 10 11.374 -4.964 -4.150 1.00 0.00 N ATOM 152 CA ASP A 10 11.389 -4.748 -5.587 1.00 0.00 C ATOM 153 C ASP A 10 12.256 -3.529 -5.907 1.00 0.00 C ATOM 154 O ASP A 10 12.047 -2.452 -5.353 1.00 0.00 O ATOM 155 CB ASP A 10 9.979 -4.477 -6.117 1.00 0.00 C ATOM 156 CG ASP A 10 9.898 -4.182 -7.616 1.00 0.00 C ATOM 157 OD1 ASP A 10 10.911 -4.220 -8.331 1.00 0.00 O ATOM 158 OD2 ASP A 10 8.718 -3.898 -8.053 1.00 0.00 O ATOM 0 H ASP A 10 10.653 -4.446 -3.648 1.00 0.00 H new ATOM 0 HA ASP A 10 11.786 -5.647 -6.059 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.352 -5.341 -5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.558 -3.632 -5.572 1.00 0.00 H new ATOM 164 N GLU A 11 13.212 -3.741 -6.799 1.00 0.00 N ATOM 165 CA GLU A 11 14.113 -2.673 -7.198 1.00 0.00 C ATOM 166 C GLU A 11 13.358 -1.618 -8.009 1.00 0.00 C ATOM 167 O GLU A 11 13.897 -0.551 -8.301 1.00 0.00 O ATOM 168 CB GLU A 11 15.301 -3.225 -7.990 1.00 0.00 C ATOM 169 CG GLU A 11 16.076 -4.256 -7.165 1.00 0.00 C ATOM 170 CD GLU A 11 17.216 -3.594 -6.390 1.00 0.00 C ATOM 171 OE1 GLU A 11 17.258 -2.359 -6.283 1.00 0.00 O ATOM 172 OE2 GLU A 11 18.078 -4.410 -5.885 1.00 0.00 O ATOM 0 H GLU A 11 13.382 -4.636 -7.257 1.00 0.00 H new ATOM 0 HA GLU A 11 14.506 -2.200 -6.298 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.946 -3.684 -8.913 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.964 -2.408 -8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.400 -4.753 -6.470 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.478 -5.026 -7.824 1.00 0.00 H new ATOM 180 N THR A 12 12.123 -1.952 -8.350 1.00 0.00 N ATOM 181 CA THR A 12 11.288 -1.046 -9.122 1.00 0.00 C ATOM 182 C THR A 12 10.512 -0.112 -8.191 1.00 0.00 C ATOM 183 O THR A 12 9.972 0.901 -8.632 1.00 0.00 O ATOM 184 CB THR A 12 10.386 -1.889 -10.026 1.00 0.00 C ATOM 185 OG1 THR A 12 11.296 -2.676 -10.789 1.00 0.00 O ATOM 186 CG2 THR A 12 9.655 -1.046 -11.073 1.00 0.00 C ATOM 0 H THR A 12 11.679 -2.838 -8.106 1.00 0.00 H new ATOM 0 HA THR A 12 11.891 -0.395 -9.755 1.00 0.00 H new ATOM 0 HB THR A 12 9.657 -2.422 -9.415 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.528 -3.485 -10.288 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.029 -1.692 -11.688 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.031 -0.305 -10.573 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.384 -0.539 -11.705 1.00 0.00 H new ATOM 194 N GLY A 13 10.483 -0.486 -6.920 1.00 0.00 N ATOM 195 CA GLY A 13 9.783 0.306 -5.923 1.00 0.00 C ATOM 196 C GLY A 13 8.324 0.529 -6.326 1.00 0.00 C ATOM 197 O GLY A 13 8.048 1.120 -7.369 1.00 0.00 O ATOM 0 H GLY A 13 10.933 -1.327 -6.558 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.824 -0.199 -4.958 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.282 1.268 -5.802 1.00 0.00 H new ATOM 201 N ILE A 14 7.428 0.045 -5.479 1.00 0.00 N ATOM 202 CA ILE A 14 6.005 0.185 -5.733 1.00 0.00 C ATOM 203 C ILE A 14 5.781 1.308 -6.749 1.00 0.00 C ATOM 204 O ILE A 14 5.980 2.481 -6.437 1.00 0.00 O ATOM 205 CB ILE A 14 5.242 0.381 -4.422 1.00 0.00 C ATOM 206 CG1 ILE A 14 4.368 -0.835 -4.109 1.00 0.00 C ATOM 207 CG2 ILE A 14 4.432 1.678 -4.447 1.00 0.00 C ATOM 208 CD1 ILE A 14 2.957 -0.656 -4.672 1.00 0.00 C ATOM 0 H ILE A 14 7.661 -0.445 -4.615 1.00 0.00 H new ATOM 0 HA ILE A 14 5.605 -0.729 -6.173 1.00 0.00 H new ATOM 0 HB ILE A 14 5.969 0.471 -3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.821 -1.731 -4.532 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.317 -0.982 -3.030 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.899 1.793 -3.503 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.104 2.524 -4.589 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.714 1.643 -5.267 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.357 -1.535 -4.435 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.498 0.227 -4.229 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.010 -0.533 -5.754 1.00 0.00 H new ATOM 220 N HIS A 15 5.369 0.909 -7.943 1.00 0.00 N ATOM 221 CA HIS A 15 5.115 1.866 -9.006 1.00 0.00 C ATOM 222 C HIS A 15 3.612 1.959 -9.265 1.00 0.00 C ATOM 223 O HIS A 15 2.809 1.477 -8.467 1.00 0.00 O ATOM 224 CB HIS A 15 5.913 1.507 -10.262 1.00 0.00 C ATOM 225 CG HIS A 15 6.216 0.034 -10.396 1.00 0.00 C ATOM 226 ND1 HIS A 15 5.763 -0.731 -11.457 1.00 0.00 N ATOM 227 CD2 HIS A 15 6.933 -0.805 -9.595 1.00 0.00 C ATOM 228 CE1 HIS A 15 6.192 -1.973 -11.290 1.00 0.00 C ATOM 229 NE2 HIS A 15 6.916 -2.017 -10.135 1.00 0.00 N ATOM 0 H HIS A 15 5.205 -0.065 -8.198 1.00 0.00 H new ATOM 0 HA HIS A 15 5.456 2.855 -8.699 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.356 1.834 -11.140 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.851 2.061 -10.255 1.00 0.00 H new ATOM 0 HD2 HIS A 15 7.430 -0.530 -8.677 1.00 0.00 H new ATOM 0 HE1 HIS A 15 6.002 -2.805 -11.952 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.370 -2.845 -9.750 1.00 0.00 H new ATOM 237 N ALA A 16 3.273 2.583 -10.384 1.00 0.00 N ATOM 238 CA ALA A 16 1.879 2.745 -10.759 1.00 0.00 C ATOM 239 C ALA A 16 1.279 1.375 -11.083 1.00 0.00 C ATOM 240 O ALA A 16 0.076 1.169 -10.933 1.00 0.00 O ATOM 241 CB ALA A 16 1.776 3.719 -11.934 1.00 0.00 C ATOM 0 H ALA A 16 3.941 2.983 -11.043 1.00 0.00 H new ATOM 0 HA ALA A 16 1.307 3.168 -9.933 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.730 3.840 -12.215 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.188 4.685 -11.643 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.337 3.326 -12.782 1.00 0.00 H new ATOM 247 N ARG A 17 2.146 0.474 -11.522 1.00 0.00 N ATOM 248 CA ARG A 17 1.717 -0.871 -11.869 1.00 0.00 C ATOM 249 C ARG A 17 1.034 -1.534 -10.672 1.00 0.00 C ATOM 250 O ARG A 17 -0.158 -1.831 -10.719 1.00 0.00 O ATOM 251 CB ARG A 17 2.903 -1.729 -12.312 1.00 0.00 C ATOM 252 CG ARG A 17 2.817 -2.054 -13.805 1.00 0.00 C ATOM 253 CD ARG A 17 3.605 -3.324 -14.135 1.00 0.00 C ATOM 254 NE ARG A 17 3.915 -3.363 -15.582 1.00 0.00 N ATOM 255 CZ ARG A 17 4.823 -2.580 -16.178 1.00 0.00 C ATOM 256 NH1 ARG A 17 5.517 -1.690 -15.456 1.00 0.00 N ATOM 257 NH2 ARG A 17 5.038 -2.686 -17.497 1.00 0.00 N ATOM 0 H ARG A 17 3.143 0.649 -11.645 1.00 0.00 H new ATOM 0 HA ARG A 17 1.012 -0.793 -12.696 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.835 -1.203 -12.104 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.923 -2.654 -11.735 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.774 -2.184 -14.093 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.207 -1.218 -14.386 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.528 -3.351 -13.556 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.027 -4.204 -13.854 1.00 0.00 H new ATOM 0 HE ARG A 17 3.404 -4.029 -16.162 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.354 -1.609 -14.452 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.209 -1.093 -15.910 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.510 -3.363 -18.047 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.730 -2.089 -17.951 1.00 0.00 H new ATOM 271 N PRO A 18 1.841 -1.755 -9.599 1.00 0.00 N ATOM 272 CA PRO A 18 1.327 -2.379 -8.392 1.00 0.00 C ATOM 273 C PRO A 18 0.471 -1.397 -7.589 1.00 0.00 C ATOM 274 O PRO A 18 -0.647 -1.724 -7.192 1.00 0.00 O ATOM 275 CB PRO A 18 2.560 -2.847 -7.635 1.00 0.00 C ATOM 276 CG PRO A 18 3.727 -2.063 -8.214 1.00 0.00 C ATOM 277 CD PRO A 18 3.259 -1.417 -9.508 1.00 0.00 C ATOM 0 HA PRO A 18 0.663 -3.217 -8.602 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.456 -2.661 -6.566 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.710 -3.920 -7.758 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.064 -1.304 -7.508 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.574 -2.723 -8.401 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.408 -0.337 -9.488 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.813 -1.800 -10.365 1.00 0.00 H new ATOM 285 N ALA A 19 1.028 -0.214 -7.375 1.00 0.00 N ATOM 286 CA ALA A 19 0.329 0.817 -6.626 1.00 0.00 C ATOM 287 C ALA A 19 -1.141 0.842 -7.053 1.00 0.00 C ATOM 288 O ALA A 19 -2.014 1.198 -6.262 1.00 0.00 O ATOM 289 CB ALA A 19 1.021 2.164 -6.844 1.00 0.00 C ATOM 0 H ALA A 19 1.955 0.054 -7.707 1.00 0.00 H new ATOM 0 HA ALA A 19 0.360 0.603 -5.558 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.497 2.937 -6.282 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.054 2.102 -6.500 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.006 2.413 -7.905 1.00 0.00 H new ATOM 295 N THR A 20 -1.369 0.461 -8.300 1.00 0.00 N ATOM 296 CA THR A 20 -2.718 0.435 -8.840 1.00 0.00 C ATOM 297 C THR A 20 -3.523 -0.704 -8.211 1.00 0.00 C ATOM 298 O THR A 20 -4.568 -0.470 -7.606 1.00 0.00 O ATOM 299 CB THR A 20 -2.616 0.338 -10.363 1.00 0.00 C ATOM 300 OG1 THR A 20 -2.680 1.692 -10.803 1.00 0.00 O ATOM 301 CG2 THR A 20 -3.847 -0.318 -10.993 1.00 0.00 C ATOM 0 H THR A 20 -0.642 0.167 -8.953 1.00 0.00 H new ATOM 0 HA THR A 20 -3.260 1.348 -8.594 1.00 0.00 H new ATOM 0 HB THR A 20 -1.726 -0.231 -10.631 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.777 2.013 -11.006 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.722 -0.362 -12.075 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.962 -1.328 -10.600 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.734 0.268 -10.753 1.00 0.00 H new ATOM 309 N MET A 21 -3.005 -1.913 -8.374 1.00 0.00 N ATOM 310 CA MET A 21 -3.662 -3.089 -7.830 1.00 0.00 C ATOM 311 C MET A 21 -3.872 -2.949 -6.321 1.00 0.00 C ATOM 312 O MET A 21 -4.956 -3.235 -5.813 1.00 0.00 O ATOM 313 CB MET A 21 -2.811 -4.327 -8.116 1.00 0.00 C ATOM 314 CG MET A 21 -2.656 -4.551 -9.621 1.00 0.00 C ATOM 315 SD MET A 21 -2.163 -6.237 -9.939 1.00 0.00 S ATOM 316 CE MET A 21 -3.765 -7.022 -10.007 1.00 0.00 C ATOM 0 H MET A 21 -2.137 -2.103 -8.875 1.00 0.00 H new ATOM 0 HA MET A 21 -4.637 -3.191 -8.306 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.828 -4.210 -7.659 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.273 -5.203 -7.660 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.597 -4.337 -10.128 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.913 -3.864 -10.025 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.640 -8.088 -10.200 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.279 -6.883 -9.056 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.355 -6.575 -10.807 1.00 0.00 H new ATOM 326 N LEU A 22 -2.820 -2.511 -5.647 1.00 0.00 N ATOM 327 CA LEU A 22 -2.875 -2.330 -4.206 1.00 0.00 C ATOM 328 C LEU A 22 -3.940 -1.285 -3.868 1.00 0.00 C ATOM 329 O LEU A 22 -4.794 -1.518 -3.013 1.00 0.00 O ATOM 330 CB LEU A 22 -1.488 -1.995 -3.655 1.00 0.00 C ATOM 331 CG LEU A 22 -0.971 -2.907 -2.541 1.00 0.00 C ATOM 332 CD1 LEU A 22 -0.125 -4.046 -3.112 1.00 0.00 C ATOM 333 CD2 LEU A 22 -0.211 -2.104 -1.483 1.00 0.00 C ATOM 0 H LEU A 22 -1.923 -2.276 -6.072 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.171 -3.258 -3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.775 -2.021 -4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.505 -0.971 -3.281 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.830 -3.361 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.230 -4.679 -2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.730 -4.640 -3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.729 -3.632 -3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.146 -2.776 -0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.639 -1.603 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.875 -1.359 -1.045 1.00 0.00 H new ATOM 345 N VAL A 23 -3.856 -0.157 -4.556 1.00 0.00 N ATOM 346 CA VAL A 23 -4.802 0.924 -4.340 1.00 0.00 C ATOM 347 C VAL A 23 -6.210 0.445 -4.701 1.00 0.00 C ATOM 348 O VAL A 23 -7.172 0.747 -3.997 1.00 0.00 O ATOM 349 CB VAL A 23 -4.372 2.163 -5.129 1.00 0.00 C ATOM 350 CG1 VAL A 23 -5.578 3.037 -5.477 1.00 0.00 C ATOM 351 CG2 VAL A 23 -3.318 2.962 -4.362 1.00 0.00 C ATOM 0 H VAL A 23 -3.147 0.032 -5.264 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.816 1.213 -3.289 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.922 1.826 -6.063 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.245 3.910 -6.037 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.280 2.464 -6.082 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.070 3.360 -4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.030 3.837 -4.944 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.730 3.283 -3.405 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.442 2.337 -4.189 1.00 0.00 H new ATOM 361 N GLN A 24 -6.285 -0.294 -5.798 1.00 0.00 N ATOM 362 CA GLN A 24 -7.559 -0.818 -6.261 1.00 0.00 C ATOM 363 C GLN A 24 -8.155 -1.764 -5.216 1.00 0.00 C ATOM 364 O GLN A 24 -9.221 -1.492 -4.664 1.00 0.00 O ATOM 365 CB GLN A 24 -7.405 -1.521 -7.611 1.00 0.00 C ATOM 366 CG GLN A 24 -8.689 -1.414 -8.435 1.00 0.00 C ATOM 367 CD GLN A 24 -8.778 -2.546 -9.461 1.00 0.00 C ATOM 368 OE1 GLN A 24 -9.706 -3.338 -9.470 1.00 0.00 O ATOM 369 NE2 GLN A 24 -7.765 -2.577 -10.321 1.00 0.00 N ATOM 0 H GLN A 24 -5.485 -0.542 -6.380 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.244 0.018 -6.400 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.576 -1.078 -8.163 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.157 -2.570 -7.452 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.554 -1.450 -7.773 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.718 -0.452 -8.946 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.020 -1.883 -10.257 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.732 -3.295 -11.045 1.00 0.00 H new ATOM 378 N THR A 25 -7.442 -2.854 -4.975 1.00 0.00 N ATOM 379 CA THR A 25 -7.888 -3.841 -4.006 1.00 0.00 C ATOM 380 C THR A 25 -8.137 -3.181 -2.648 1.00 0.00 C ATOM 381 O THR A 25 -8.911 -3.690 -1.840 1.00 0.00 O ATOM 382 CB THR A 25 -6.844 -4.959 -3.956 1.00 0.00 C ATOM 383 OG1 THR A 25 -7.444 -6.028 -4.681 1.00 0.00 O ATOM 384 CG2 THR A 25 -6.659 -5.523 -2.546 1.00 0.00 C ATOM 0 H THR A 25 -6.558 -3.076 -5.434 1.00 0.00 H new ATOM 0 HA THR A 25 -8.842 -4.280 -4.298 1.00 0.00 H new ATOM 0 HB THR A 25 -5.890 -4.582 -4.325 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.833 -6.794 -4.699 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.908 -6.313 -2.566 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.332 -4.728 -1.876 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.605 -5.931 -2.190 1.00 0.00 H new ATOM 392 N ALA A 26 -7.466 -2.057 -2.441 1.00 0.00 N ATOM 393 CA ALA A 26 -7.606 -1.321 -1.196 1.00 0.00 C ATOM 394 C ALA A 26 -9.009 -0.716 -1.120 1.00 0.00 C ATOM 395 O ALA A 26 -9.764 -1.004 -0.192 1.00 0.00 O ATOM 396 CB ALA A 26 -6.507 -0.261 -1.103 1.00 0.00 C ATOM 0 H ALA A 26 -6.824 -1.638 -3.114 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.489 -1.987 -0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.612 0.291 -0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.531 -0.745 -1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.594 0.428 -1.943 1.00 0.00 H new ATOM 402 N SER A 27 -9.315 0.112 -2.109 1.00 0.00 N ATOM 403 CA SER A 27 -10.614 0.760 -2.165 1.00 0.00 C ATOM 404 C SER A 27 -11.682 -0.244 -2.602 1.00 0.00 C ATOM 405 O SER A 27 -12.775 -0.279 -2.039 1.00 0.00 O ATOM 406 CB SER A 27 -10.590 1.958 -3.117 1.00 0.00 C ATOM 407 OG SER A 27 -11.418 1.749 -4.258 1.00 0.00 O ATOM 0 H SER A 27 -8.686 0.348 -2.877 1.00 0.00 H new ATOM 0 HA SER A 27 -10.857 1.127 -1.168 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.923 2.850 -2.586 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.566 2.143 -3.441 1.00 0.00 H new ATOM 0 HG SER A 27 -11.377 2.536 -4.840 1.00 0.00 H new ATOM 413 N LYS A 28 -11.328 -1.037 -3.604 1.00 0.00 N ATOM 414 CA LYS A 28 -12.243 -2.040 -4.122 1.00 0.00 C ATOM 415 C LYS A 28 -13.126 -2.557 -2.986 1.00 0.00 C ATOM 416 O LYS A 28 -14.306 -2.837 -3.189 1.00 0.00 O ATOM 417 CB LYS A 28 -11.471 -3.143 -4.852 1.00 0.00 C ATOM 418 CG LYS A 28 -10.914 -2.633 -6.183 1.00 0.00 C ATOM 419 CD LYS A 28 -11.926 -2.831 -7.313 1.00 0.00 C ATOM 420 CE LYS A 28 -12.101 -4.316 -7.639 1.00 0.00 C ATOM 421 NZ LYS A 28 -10.815 -5.034 -7.490 1.00 0.00 N ATOM 0 H LYS A 28 -10.421 -1.005 -4.070 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.907 -1.600 -4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.654 -3.497 -4.223 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.128 -3.994 -5.031 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.664 -1.576 -6.095 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.990 -3.161 -6.421 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.886 -2.403 -7.025 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.592 -2.297 -8.203 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.848 -4.754 -6.977 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.472 -4.430 -8.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.908 -5.996 -7.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.071 -4.525 -8.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.561 -5.087 -6.483 1.00 0.00 H new ATOM 435 N PHE A 29 -12.519 -2.668 -1.812 1.00 0.00 N ATOM 436 CA PHE A 29 -13.237 -3.147 -0.642 1.00 0.00 C ATOM 437 C PHE A 29 -14.206 -2.084 -0.122 1.00 0.00 C ATOM 438 O PHE A 29 -15.367 -2.046 -0.526 1.00 0.00 O ATOM 439 CB PHE A 29 -12.189 -3.437 0.435 1.00 0.00 C ATOM 440 CG PHE A 29 -11.421 -4.742 0.221 1.00 0.00 C ATOM 441 CD1 PHE A 29 -10.874 -5.018 -0.994 1.00 0.00 C ATOM 442 CD2 PHE A 29 -11.286 -5.628 1.244 1.00 0.00 C ATOM 443 CE1 PHE A 29 -10.161 -6.230 -1.193 1.00 0.00 C ATOM 444 CE2 PHE A 29 -10.573 -6.840 1.046 1.00 0.00 C ATOM 445 CZ PHE A 29 -10.026 -7.115 -0.169 1.00 0.00 C ATOM 0 H PHE A 29 -11.540 -2.435 -1.646 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.816 -4.035 -0.896 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -11.479 -2.611 0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.682 -3.473 1.407 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.982 -4.315 -1.807 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.721 -5.410 2.208 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.726 -6.449 -2.157 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.465 -7.543 1.859 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.484 -8.037 -0.321 1.00 0.00 H new ATOM 455 N ASP A 30 -13.694 -1.247 0.769 1.00 0.00 N ATOM 456 CA ASP A 30 -14.501 -0.188 1.350 1.00 0.00 C ATOM 457 C ASP A 30 -13.719 0.481 2.483 1.00 0.00 C ATOM 458 O ASP A 30 -13.544 1.698 2.487 1.00 0.00 O ATOM 459 CB ASP A 30 -15.801 -0.743 1.936 1.00 0.00 C ATOM 460 CG ASP A 30 -16.589 0.239 2.806 1.00 0.00 C ATOM 461 OD1 ASP A 30 -16.564 1.457 2.577 1.00 0.00 O ATOM 462 OD2 ASP A 30 -17.260 -0.301 3.767 1.00 0.00 O ATOM 0 H ASP A 30 -12.731 -1.281 1.102 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.738 0.526 0.561 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -16.440 -1.073 1.117 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -15.566 -1.625 2.532 1.00 0.00 H new ATOM 468 N SER A 31 -13.268 -0.345 3.415 1.00 0.00 N ATOM 469 CA SER A 31 -12.509 0.150 4.551 1.00 0.00 C ATOM 470 C SER A 31 -11.634 1.329 4.120 1.00 0.00 C ATOM 471 O SER A 31 -11.209 1.404 2.968 1.00 0.00 O ATOM 472 CB SER A 31 -11.646 -0.956 5.160 1.00 0.00 C ATOM 473 OG SER A 31 -11.804 -2.196 4.476 1.00 0.00 O ATOM 0 H SER A 31 -13.414 -1.355 3.407 1.00 0.00 H new ATOM 0 HA SER A 31 -13.212 0.486 5.313 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.598 -0.656 5.129 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.910 -1.085 6.210 1.00 0.00 H new ATOM 0 HG SER A 31 -11.500 -2.100 3.549 1.00 0.00 H new ATOM 479 N ASP A 32 -11.390 2.221 5.069 1.00 0.00 N ATOM 480 CA ASP A 32 -10.573 3.393 4.803 1.00 0.00 C ATOM 481 C ASP A 32 -9.097 3.034 4.993 1.00 0.00 C ATOM 482 O ASP A 32 -8.502 3.367 6.017 1.00 0.00 O ATOM 483 CB ASP A 32 -10.912 4.531 5.767 1.00 0.00 C ATOM 484 CG ASP A 32 -12.381 4.611 6.183 1.00 0.00 C ATOM 485 OD1 ASP A 32 -13.278 4.174 5.445 1.00 0.00 O ATOM 486 OD2 ASP A 32 -12.595 5.157 7.331 1.00 0.00 O ATOM 0 H ASP A 32 -11.744 2.156 6.023 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.770 3.717 3.781 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.302 4.421 6.664 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.630 5.476 5.303 1.00 0.00 H new ATOM 492 N ILE A 33 -8.551 2.362 3.992 1.00 0.00 N ATOM 493 CA ILE A 33 -7.156 1.954 4.037 1.00 0.00 C ATOM 494 C ILE A 33 -6.269 3.151 3.687 1.00 0.00 C ATOM 495 O ILE A 33 -6.637 3.980 2.857 1.00 0.00 O ATOM 496 CB ILE A 33 -6.925 0.735 3.142 1.00 0.00 C ATOM 497 CG1 ILE A 33 -7.911 -0.386 3.477 1.00 0.00 C ATOM 498 CG2 ILE A 33 -5.472 0.263 3.223 1.00 0.00 C ATOM 499 CD1 ILE A 33 -8.682 -0.829 2.231 1.00 0.00 C ATOM 0 H ILE A 33 -9.048 2.089 3.144 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.883 1.637 5.044 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.111 1.030 2.109 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.372 -1.236 3.897 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.611 -0.044 4.239 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.335 -0.605 2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.810 1.066 2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.235 -0.009 4.252 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.376 -1.627 2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.239 0.017 1.828 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.981 -1.193 1.480 1.00 0.00 H new ATOM 511 N GLN A 34 -5.116 3.202 4.339 1.00 0.00 N ATOM 512 CA GLN A 34 -4.174 4.283 4.108 1.00 0.00 C ATOM 513 C GLN A 34 -2.753 3.730 3.981 1.00 0.00 C ATOM 514 O GLN A 34 -2.387 2.782 4.674 1.00 0.00 O ATOM 515 CB GLN A 34 -4.256 5.331 5.220 1.00 0.00 C ATOM 516 CG GLN A 34 -2.876 5.602 5.822 1.00 0.00 C ATOM 517 CD GLN A 34 -2.852 6.945 6.554 1.00 0.00 C ATOM 518 OE1 GLN A 34 -3.363 7.948 6.082 1.00 0.00 O ATOM 519 NE2 GLN A 34 -2.230 6.909 7.730 1.00 0.00 N ATOM 0 H GLN A 34 -4.814 2.512 5.027 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.438 4.774 3.171 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.671 6.257 4.822 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.935 4.987 6.000 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.614 4.802 6.514 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.124 5.600 5.033 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.824 6.036 8.066 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.159 7.755 8.296 1.00 0.00 H new ATOM 528 N LEU A 35 -1.990 4.345 3.089 1.00 0.00 N ATOM 529 CA LEU A 35 -0.617 3.926 2.863 1.00 0.00 C ATOM 530 C LEU A 35 0.314 4.731 3.772 1.00 0.00 C ATOM 531 O LEU A 35 0.006 5.865 4.135 1.00 0.00 O ATOM 532 CB LEU A 35 -0.264 4.028 1.377 1.00 0.00 C ATOM 533 CG LEU A 35 0.946 3.211 0.917 1.00 0.00 C ATOM 534 CD1 LEU A 35 0.993 3.114 -0.609 1.00 0.00 C ATOM 535 CD2 LEU A 35 2.242 3.779 1.497 1.00 0.00 C ATOM 0 H LEU A 35 -2.297 5.130 2.514 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.491 2.876 3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.131 3.715 0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.082 5.076 1.138 1.00 0.00 H new ATOM 0 HG LEU A 35 0.840 2.196 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.862 2.529 -0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.086 2.630 -0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.065 4.115 -1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.087 3.181 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.369 4.809 1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.196 3.753 2.586 1.00 0.00 H new ATOM 547 N GLU A 36 1.435 4.112 4.113 1.00 0.00 N ATOM 548 CA GLU A 36 2.414 4.756 4.973 1.00 0.00 C ATOM 549 C GLU A 36 3.826 4.300 4.605 1.00 0.00 C ATOM 550 O GLU A 36 4.025 3.161 4.186 1.00 0.00 O ATOM 551 CB GLU A 36 2.115 4.478 6.448 1.00 0.00 C ATOM 552 CG GLU A 36 3.304 4.861 7.331 1.00 0.00 C ATOM 553 CD GLU A 36 3.112 4.353 8.760 1.00 0.00 C ATOM 554 OE1 GLU A 36 3.284 3.153 9.021 1.00 0.00 O ATOM 555 OE2 GLU A 36 2.772 5.255 9.618 1.00 0.00 O ATOM 0 H GLU A 36 1.687 3.171 3.809 1.00 0.00 H new ATOM 0 HA GLU A 36 2.350 5.833 4.820 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.233 5.040 6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.883 3.422 6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.221 4.444 6.913 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.421 5.945 7.339 1.00 0.00 H new ATOM 563 N TYR A 37 4.772 5.213 4.774 1.00 0.00 N ATOM 564 CA TYR A 37 6.161 4.919 4.465 1.00 0.00 C ATOM 565 C TYR A 37 7.104 5.790 5.296 1.00 0.00 C ATOM 566 O TYR A 37 7.167 7.003 5.102 1.00 0.00 O ATOM 567 CB TYR A 37 6.343 5.258 2.985 1.00 0.00 C ATOM 568 CG TYR A 37 7.786 5.129 2.490 1.00 0.00 C ATOM 569 CD1 TYR A 37 8.621 4.177 3.039 1.00 0.00 C ATOM 570 CD2 TYR A 37 8.252 5.964 1.495 1.00 0.00 C ATOM 571 CE1 TYR A 37 9.978 4.056 2.573 1.00 0.00 C ATOM 572 CE2 TYR A 37 9.609 5.843 1.030 1.00 0.00 C ATOM 573 CZ TYR A 37 10.405 4.895 1.592 1.00 0.00 C ATOM 574 OH TYR A 37 11.686 4.780 1.153 1.00 0.00 O ATOM 0 H TYR A 37 4.603 6.157 5.121 1.00 0.00 H new ATOM 0 HA TYR A 37 6.392 3.877 4.687 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.706 4.602 2.392 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.000 6.278 2.811 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.257 3.523 3.818 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.598 6.709 1.065 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.642 3.315 2.993 1.00 0.00 H new ATOM 0 HE2 TYR A 37 9.986 6.491 0.252 1.00 0.00 H new ATOM 0 HH TYR A 37 11.852 5.442 0.450 1.00 0.00 H new ATOM 584 N ASN A 38 7.814 5.138 6.205 1.00 0.00 N ATOM 585 CA ASN A 38 8.752 5.838 7.066 1.00 0.00 C ATOM 586 C ASN A 38 8.060 7.057 7.681 1.00 0.00 C ATOM 587 O ASN A 38 8.589 8.166 7.633 1.00 0.00 O ATOM 588 CB ASN A 38 9.964 6.332 6.275 1.00 0.00 C ATOM 589 CG ASN A 38 9.540 7.306 5.174 1.00 0.00 C ATOM 590 OD1 ASN A 38 9.759 6.857 3.941 1.00 0.00 O flip ATOM 591 ND2 ASN A 38 9.047 8.392 5.427 1.00 0.00 N flip ATOM 0 H ASN A 38 7.758 4.132 6.364 1.00 0.00 H new ATOM 0 HA ASN A 38 9.084 5.143 7.837 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.667 6.822 6.948 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.485 5.483 5.833 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.906 8.675 6.397 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.775 9.018 4.669 1.00 0.00 H new ATOM 598 N GLY A 39 6.886 6.809 8.246 1.00 0.00 N ATOM 599 CA GLY A 39 6.118 7.872 8.870 1.00 0.00 C ATOM 600 C GLY A 39 5.407 8.725 7.817 1.00 0.00 C ATOM 601 O GLY A 39 4.741 9.703 8.152 1.00 0.00 O ATOM 0 H GLY A 39 6.449 5.888 8.284 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.384 7.443 9.552 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.779 8.501 9.467 1.00 0.00 H new ATOM 605 N LYS A 40 5.572 8.323 6.565 1.00 0.00 N ATOM 606 CA LYS A 40 4.955 9.038 5.462 1.00 0.00 C ATOM 607 C LYS A 40 3.659 8.329 5.062 1.00 0.00 C ATOM 608 O LYS A 40 3.674 7.427 4.224 1.00 0.00 O ATOM 609 CB LYS A 40 5.946 9.203 4.309 1.00 0.00 C ATOM 610 CG LYS A 40 6.074 10.674 3.903 1.00 0.00 C ATOM 611 CD LYS A 40 7.108 11.393 4.772 1.00 0.00 C ATOM 612 CE LYS A 40 7.284 12.846 4.324 1.00 0.00 C ATOM 613 NZ LYS A 40 8.683 13.284 4.525 1.00 0.00 N ATOM 0 H LYS A 40 6.125 7.511 6.291 1.00 0.00 H new ATOM 0 HA LYS A 40 4.685 10.049 5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.922 8.817 4.605 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.616 8.613 3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.364 10.742 2.855 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.107 11.167 3.999 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.794 11.366 5.815 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.064 10.872 4.713 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.013 12.944 3.273 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.610 13.491 4.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.785 14.272 4.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.929 13.209 5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.320 12.679 3.968 1.00 0.00 H new ATOM 627 N LYS A 41 2.570 8.762 5.678 1.00 0.00 N ATOM 628 CA LYS A 41 1.268 8.179 5.397 1.00 0.00 C ATOM 629 C LYS A 41 0.622 8.926 4.228 1.00 0.00 C ATOM 630 O LYS A 41 0.860 10.119 4.042 1.00 0.00 O ATOM 631 CB LYS A 41 0.407 8.154 6.662 1.00 0.00 C ATOM 632 CG LYS A 41 1.163 7.510 7.826 1.00 0.00 C ATOM 633 CD LYS A 41 2.099 8.518 8.497 1.00 0.00 C ATOM 634 CE LYS A 41 1.877 8.548 10.011 1.00 0.00 C ATOM 635 NZ LYS A 41 3.040 9.159 10.693 1.00 0.00 N ATOM 0 H LYS A 41 2.561 9.510 6.371 1.00 0.00 H new ATOM 0 HA LYS A 41 1.374 7.138 5.092 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.117 9.170 6.929 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.512 7.601 6.470 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.452 7.126 8.558 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.739 6.659 7.463 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.135 8.256 8.283 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.929 9.511 8.081 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.974 9.114 10.241 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.721 7.535 10.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.455 8.472 11.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.752 9.433 9.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.731 10.002 11.218 1.00 0.00 H new ATOM 649 N VAL A 42 -0.181 8.194 3.472 1.00 0.00 N ATOM 650 CA VAL A 42 -0.864 8.772 2.327 1.00 0.00 C ATOM 651 C VAL A 42 -2.184 8.033 2.098 1.00 0.00 C ATOM 652 O VAL A 42 -2.617 7.251 2.944 1.00 0.00 O ATOM 653 CB VAL A 42 0.055 8.747 1.103 1.00 0.00 C ATOM 654 CG1 VAL A 42 1.522 8.625 1.522 1.00 0.00 C ATOM 655 CG2 VAL A 42 -0.338 7.622 0.145 1.00 0.00 C ATOM 0 H VAL A 42 -0.375 7.205 3.629 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.106 9.818 2.515 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.065 9.693 0.574 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.154 8.609 0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.794 9.476 2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.664 7.702 2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.331 7.627 -0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.262 6.664 0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.364 7.773 -0.192 1.00 0.00 H new ATOM 665 N ASN A 43 -2.787 8.306 0.950 1.00 0.00 N ATOM 666 CA ASN A 43 -4.049 7.676 0.600 1.00 0.00 C ATOM 667 C ASN A 43 -3.774 6.426 -0.238 1.00 0.00 C ATOM 668 O ASN A 43 -3.258 6.520 -1.350 1.00 0.00 O ATOM 669 CB ASN A 43 -4.922 8.619 -0.230 1.00 0.00 C ATOM 670 CG ASN A 43 -6.169 7.899 -0.747 1.00 0.00 C ATOM 671 OD1 ASN A 43 -6.203 7.372 -1.847 1.00 0.00 O ATOM 672 ND2 ASN A 43 -7.190 7.904 0.106 1.00 0.00 N ATOM 0 H ASN A 43 -2.425 8.955 0.251 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.568 7.423 1.524 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.217 9.475 0.377 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.347 9.007 -1.071 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.067 7.448 -0.146 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.096 8.363 1.012 1.00 0.00 H new ATOM 679 N LEU A 44 -4.132 5.283 0.329 1.00 0.00 N ATOM 680 CA LEU A 44 -3.932 4.015 -0.352 1.00 0.00 C ATOM 681 C LEU A 44 -4.975 3.865 -1.461 1.00 0.00 C ATOM 682 O LEU A 44 -5.209 2.762 -1.953 1.00 0.00 O ATOM 683 CB LEU A 44 -3.931 2.861 0.653 1.00 0.00 C ATOM 684 CG LEU A 44 -3.842 1.454 0.059 1.00 0.00 C ATOM 685 CD1 LEU A 44 -3.054 1.462 -1.253 1.00 0.00 C ATOM 686 CD2 LEU A 44 -3.260 0.467 1.072 1.00 0.00 C ATOM 0 H LEU A 44 -4.559 5.209 1.252 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.953 3.991 -0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.092 3.000 1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.841 2.925 1.250 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.852 1.117 -0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.005 0.450 -1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.551 2.114 -1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.044 1.828 -1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.208 -0.525 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.259 0.789 1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.898 0.433 1.955 1.00 0.00 H new ATOM 698 N LYS A 45 -5.575 4.991 -1.821 1.00 0.00 N ATOM 699 CA LYS A 45 -6.589 4.998 -2.863 1.00 0.00 C ATOM 700 C LYS A 45 -6.150 5.939 -3.986 1.00 0.00 C ATOM 701 O LYS A 45 -6.920 6.211 -4.907 1.00 0.00 O ATOM 702 CB LYS A 45 -7.959 5.339 -2.273 1.00 0.00 C ATOM 703 CG LYS A 45 -8.084 4.820 -0.840 1.00 0.00 C ATOM 704 CD LYS A 45 -8.931 3.546 -0.790 1.00 0.00 C ATOM 705 CE LYS A 45 -10.352 3.852 -0.311 1.00 0.00 C ATOM 706 NZ LYS A 45 -10.924 4.982 -1.078 1.00 0.00 N ATOM 0 H LYS A 45 -5.379 5.904 -1.410 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.695 4.006 -3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.106 6.419 -2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.744 4.903 -2.891 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.092 4.618 -0.435 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.536 5.586 -0.210 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.967 3.090 -1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.466 2.822 -0.121 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.980 2.969 -0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.340 4.095 0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.958 4.986 -0.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.535 5.877 -0.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.681 4.877 -2.084 1.00 0.00 H new ATOM 720 N SER A 46 -4.918 6.411 -3.874 1.00 0.00 N ATOM 721 CA SER A 46 -4.369 7.316 -4.870 1.00 0.00 C ATOM 722 C SER A 46 -2.971 6.852 -5.285 1.00 0.00 C ATOM 723 O SER A 46 -2.170 6.450 -4.443 1.00 0.00 O ATOM 724 CB SER A 46 -4.315 8.750 -4.340 1.00 0.00 C ATOM 725 OG SER A 46 -4.208 9.704 -5.392 1.00 0.00 O ATOM 0 H SER A 46 -4.283 6.184 -3.108 1.00 0.00 H new ATOM 0 HA SER A 46 -5.023 7.303 -5.742 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.212 8.954 -3.755 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.464 8.856 -3.667 1.00 0.00 H new ATOM 0 HG SER A 46 -4.178 10.607 -5.013 1.00 0.00 H new ATOM 731 N ILE A 47 -2.721 6.922 -6.585 1.00 0.00 N ATOM 732 CA ILE A 47 -1.435 6.514 -7.123 1.00 0.00 C ATOM 733 C ILE A 47 -0.430 7.653 -6.949 1.00 0.00 C ATOM 734 O ILE A 47 0.644 7.458 -6.383 1.00 0.00 O ATOM 735 CB ILE A 47 -1.585 6.041 -8.570 1.00 0.00 C ATOM 736 CG1 ILE A 47 -0.968 4.655 -8.761 1.00 0.00 C ATOM 737 CG2 ILE A 47 -1.002 7.066 -9.545 1.00 0.00 C ATOM 738 CD1 ILE A 47 -1.648 3.623 -7.858 1.00 0.00 C ATOM 0 H ILE A 47 -3.388 7.255 -7.281 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.046 5.658 -6.572 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.649 5.953 -8.792 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.064 4.351 -9.803 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.098 4.693 -8.537 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.121 6.705 -10.567 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.526 8.015 -9.432 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.057 7.209 -9.332 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.190 2.646 -8.013 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.529 3.918 -6.815 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.709 3.570 -8.101 1.00 0.00 H new ATOM 750 N MET A 48 -0.814 8.820 -7.448 1.00 0.00 N ATOM 751 CA MET A 48 0.041 9.992 -7.354 1.00 0.00 C ATOM 752 C MET A 48 0.799 10.013 -6.026 1.00 0.00 C ATOM 753 O MET A 48 1.915 10.528 -5.952 1.00 0.00 O ATOM 754 CB MET A 48 -0.812 11.256 -7.476 1.00 0.00 C ATOM 755 CG MET A 48 -2.137 11.098 -6.727 1.00 0.00 C ATOM 756 SD MET A 48 -2.516 12.598 -5.834 1.00 0.00 S ATOM 757 CE MET A 48 -3.643 13.366 -6.984 1.00 0.00 C ATOM 0 H MET A 48 -1.705 8.979 -7.918 1.00 0.00 H new ATOM 0 HA MET A 48 0.769 9.954 -8.165 1.00 0.00 H new ATOM 0 HB2 MET A 48 -0.264 12.109 -7.076 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.007 11.467 -8.527 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.938 10.872 -7.431 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.075 10.258 -6.035 1.00 0.00 H new ATOM 0 HE1 MET A 48 -3.980 14.321 -6.580 1.00 0.00 H new ATOM 0 HE2 MET A 48 -3.136 13.532 -7.934 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.503 12.715 -7.141 1.00 0.00 H new ATOM 767 N GLY A 49 0.165 9.447 -5.010 1.00 0.00 N ATOM 768 CA GLY A 49 0.767 9.395 -3.688 1.00 0.00 C ATOM 769 C GLY A 49 1.683 8.178 -3.551 1.00 0.00 C ATOM 770 O GLY A 49 2.856 8.316 -3.207 1.00 0.00 O ATOM 0 H GLY A 49 -0.759 9.020 -5.075 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.337 10.306 -3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.015 9.353 -2.930 1.00 0.00 H new ATOM 774 N VAL A 50 1.114 7.014 -3.827 1.00 0.00 N ATOM 775 CA VAL A 50 1.865 5.774 -3.740 1.00 0.00 C ATOM 776 C VAL A 50 3.073 5.846 -4.678 1.00 0.00 C ATOM 777 O VAL A 50 4.106 5.234 -4.415 1.00 0.00 O ATOM 778 CB VAL A 50 0.949 4.584 -4.034 1.00 0.00 C ATOM 779 CG1 VAL A 50 1.734 3.271 -4.019 1.00 0.00 C ATOM 780 CG2 VAL A 50 -0.221 4.536 -3.049 1.00 0.00 C ATOM 0 H VAL A 50 0.141 6.904 -4.111 1.00 0.00 H new ATOM 0 HA VAL A 50 2.247 5.630 -2.729 1.00 0.00 H new ATOM 0 HB VAL A 50 0.538 4.717 -5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.059 2.441 -4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.516 3.306 -4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.187 3.129 -3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.856 3.681 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.162 4.439 -2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.803 5.454 -3.131 1.00 0.00 H new ATOM 790 N MET A 51 2.899 6.599 -5.755 1.00 0.00 N ATOM 791 CA MET A 51 3.961 6.758 -6.734 1.00 0.00 C ATOM 792 C MET A 51 5.012 7.757 -6.245 1.00 0.00 C ATOM 793 O MET A 51 6.207 7.467 -6.269 1.00 0.00 O ATOM 794 CB MET A 51 3.367 7.249 -8.056 1.00 0.00 C ATOM 795 CG MET A 51 2.360 6.239 -8.612 1.00 0.00 C ATOM 796 SD MET A 51 2.242 6.409 -10.385 1.00 0.00 S ATOM 797 CE MET A 51 3.967 6.275 -10.825 1.00 0.00 C ATOM 0 H MET A 51 2.040 7.105 -5.971 1.00 0.00 H new ATOM 0 HA MET A 51 4.444 5.792 -6.879 1.00 0.00 H new ATOM 0 HB2 MET A 51 2.877 8.211 -7.904 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.165 7.409 -8.781 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.669 5.226 -8.355 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.383 6.399 -8.157 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.056 5.836 -11.819 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.421 7.266 -10.824 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.479 5.641 -10.101 1.00 0.00 H new ATOM 807 N SER A 52 4.528 8.912 -5.813 1.00 0.00 N ATOM 808 CA SER A 52 5.411 9.956 -5.319 1.00 0.00 C ATOM 809 C SER A 52 5.923 9.591 -3.924 1.00 0.00 C ATOM 810 O SER A 52 6.616 10.382 -3.286 1.00 0.00 O ATOM 811 CB SER A 52 4.700 11.309 -5.286 1.00 0.00 C ATOM 812 OG SER A 52 4.051 11.602 -6.520 1.00 0.00 O ATOM 0 H SER A 52 3.536 9.148 -5.795 1.00 0.00 H new ATOM 0 HA SER A 52 6.258 10.038 -6.000 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.966 11.313 -4.480 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.423 12.093 -5.062 1.00 0.00 H new ATOM 0 HG SER A 52 3.140 11.242 -6.504 1.00 0.00 H new ATOM 818 N LEU A 53 5.561 8.392 -3.491 1.00 0.00 N ATOM 819 CA LEU A 53 5.975 7.913 -2.183 1.00 0.00 C ATOM 820 C LEU A 53 7.360 7.271 -2.295 1.00 0.00 C ATOM 821 O LEU A 53 7.843 6.658 -1.343 1.00 0.00 O ATOM 822 CB LEU A 53 4.914 6.984 -1.592 1.00 0.00 C ATOM 823 CG LEU A 53 3.909 7.634 -0.638 1.00 0.00 C ATOM 824 CD1 LEU A 53 4.306 7.396 0.821 1.00 0.00 C ATOM 825 CD2 LEU A 53 3.741 9.122 -0.951 1.00 0.00 C ATOM 0 H LEU A 53 4.986 7.738 -4.022 1.00 0.00 H new ATOM 0 HA LEU A 53 6.063 8.744 -1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.362 6.527 -2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.420 6.178 -1.061 1.00 0.00 H new ATOM 0 HG LEU A 53 2.938 7.161 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.576 7.868 1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.335 6.325 1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.291 7.826 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.022 9.560 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.701 9.627 -0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.380 9.240 -1.973 1.00 0.00 H new ATOM 837 N GLY A 54 7.960 7.435 -3.465 1.00 0.00 N ATOM 838 CA GLY A 54 9.280 6.879 -3.712 1.00 0.00 C ATOM 839 C GLY A 54 9.474 5.566 -2.952 1.00 0.00 C ATOM 840 O GLY A 54 10.492 5.374 -2.289 1.00 0.00 O ATOM 0 H GLY A 54 7.557 7.944 -4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.412 6.708 -4.780 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.043 7.595 -3.407 1.00 0.00 H new ATOM 844 N VAL A 55 8.482 4.696 -3.073 1.00 0.00 N ATOM 845 CA VAL A 55 8.531 3.407 -2.405 1.00 0.00 C ATOM 846 C VAL A 55 9.726 2.610 -2.931 1.00 0.00 C ATOM 847 O VAL A 55 9.555 1.549 -3.530 1.00 0.00 O ATOM 848 CB VAL A 55 7.199 2.675 -2.582 1.00 0.00 C ATOM 849 CG1 VAL A 55 7.176 1.377 -1.773 1.00 0.00 C ATOM 850 CG2 VAL A 55 6.023 3.578 -2.206 1.00 0.00 C ATOM 0 H VAL A 55 7.639 4.859 -3.624 1.00 0.00 H new ATOM 0 HA VAL A 55 8.675 3.538 -1.332 1.00 0.00 H new ATOM 0 HB VAL A 55 7.096 2.415 -3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.219 0.876 -1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.981 0.724 -2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.312 1.605 -0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.088 3.033 -2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.118 3.884 -1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.024 4.461 -2.845 1.00 0.00 H new ATOM 860 N GLY A 56 10.911 3.151 -2.689 1.00 0.00 N ATOM 861 CA GLY A 56 12.134 2.504 -3.131 1.00 0.00 C ATOM 862 C GLY A 56 12.311 1.145 -2.451 1.00 0.00 C ATOM 863 O GLY A 56 11.619 0.836 -1.482 1.00 0.00 O ATOM 0 H GLY A 56 11.050 4.031 -2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.110 2.373 -4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.989 3.142 -2.906 1.00 0.00 H new ATOM 867 N LYS A 57 13.243 0.369 -2.985 1.00 0.00 N ATOM 868 CA LYS A 57 13.520 -0.950 -2.442 1.00 0.00 C ATOM 869 C LYS A 57 14.222 -0.804 -1.091 1.00 0.00 C ATOM 870 O LYS A 57 14.751 0.261 -0.773 1.00 0.00 O ATOM 871 CB LYS A 57 14.301 -1.792 -3.453 1.00 0.00 C ATOM 872 CG LYS A 57 13.928 -3.272 -3.338 1.00 0.00 C ATOM 873 CD LYS A 57 14.784 -4.127 -4.275 1.00 0.00 C ATOM 874 CE LYS A 57 15.666 -5.094 -3.483 1.00 0.00 C ATOM 875 NZ LYS A 57 16.201 -4.432 -2.272 1.00 0.00 N ATOM 0 H LYS A 57 13.816 0.629 -3.788 1.00 0.00 H new ATOM 0 HA LYS A 57 12.591 -1.490 -2.262 1.00 0.00 H new ATOM 0 HB2 LYS A 57 14.094 -1.438 -4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 57 15.371 -1.669 -3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 57 14.064 -3.606 -2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.874 -3.405 -3.580 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.139 -4.688 -4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.409 -3.482 -4.892 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.088 -5.973 -3.199 1.00 0.00 H new ATOM 0 HE3 LYS A 57 16.488 -5.441 -4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 17.126 -4.842 -2.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.310 -3.414 -2.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 15.543 -4.575 -1.479 1.00 0.00 H new ATOM 889 N ASP A 58 14.205 -1.888 -0.330 1.00 0.00 N ATOM 890 CA ASP A 58 14.834 -1.894 0.980 1.00 0.00 C ATOM 891 C ASP A 58 14.110 -0.902 1.893 1.00 0.00 C ATOM 892 O ASP A 58 14.537 -0.665 3.022 1.00 0.00 O ATOM 893 CB ASP A 58 16.300 -1.468 0.889 1.00 0.00 C ATOM 894 CG ASP A 58 16.906 -0.950 2.195 1.00 0.00 C ATOM 895 OD1 ASP A 58 16.992 0.266 2.422 1.00 0.00 O ATOM 896 OD2 ASP A 58 17.306 -1.866 3.012 1.00 0.00 O ATOM 0 H ASP A 58 13.765 -2.769 -0.596 1.00 0.00 H new ATOM 0 HA ASP A 58 14.777 -2.908 1.377 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.889 -2.318 0.545 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.390 -0.690 0.131 1.00 0.00 H new ATOM 902 N ALA A 59 13.026 -0.348 1.369 1.00 0.00 N ATOM 903 CA ALA A 59 12.238 0.613 2.123 1.00 0.00 C ATOM 904 C ALA A 59 11.035 -0.097 2.747 1.00 0.00 C ATOM 905 O ALA A 59 10.401 -0.932 2.104 1.00 0.00 O ATOM 906 CB ALA A 59 11.823 1.764 1.205 1.00 0.00 C ATOM 0 H ALA A 59 12.675 -0.546 0.432 1.00 0.00 H new ATOM 0 HA ALA A 59 12.827 1.039 2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.232 2.485 1.770 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.713 2.254 0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.228 1.374 0.379 1.00 0.00 H new ATOM 912 N GLU A 60 10.759 0.260 3.993 1.00 0.00 N ATOM 913 CA GLU A 60 9.644 -0.333 4.711 1.00 0.00 C ATOM 914 C GLU A 60 8.414 0.573 4.624 1.00 0.00 C ATOM 915 O GLU A 60 8.450 1.719 5.070 1.00 0.00 O ATOM 916 CB GLU A 60 10.016 -0.613 6.168 1.00 0.00 C ATOM 917 CG GLU A 60 11.229 -1.543 6.255 1.00 0.00 C ATOM 918 CD GLU A 60 12.098 -1.197 7.466 1.00 0.00 C ATOM 919 OE1 GLU A 60 13.194 -0.640 7.305 1.00 0.00 O ATOM 920 OE2 GLU A 60 11.597 -1.529 8.609 1.00 0.00 O ATOM 0 H GLU A 60 11.288 0.952 4.523 1.00 0.00 H new ATOM 0 HA GLU A 60 9.403 -1.287 4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.235 0.325 6.678 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.169 -1.065 6.683 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.894 -2.578 6.327 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.820 -1.462 5.343 1.00 0.00 H new ATOM 928 N ILE A 61 7.355 0.026 4.046 1.00 0.00 N ATOM 929 CA ILE A 61 6.117 0.772 3.894 1.00 0.00 C ATOM 930 C ILE A 61 5.056 0.184 4.828 1.00 0.00 C ATOM 931 O ILE A 61 5.286 -0.841 5.468 1.00 0.00 O ATOM 932 CB ILE A 61 5.690 0.810 2.425 1.00 0.00 C ATOM 933 CG1 ILE A 61 5.701 -0.593 1.815 1.00 0.00 C ATOM 934 CG2 ILE A 61 6.556 1.787 1.629 1.00 0.00 C ATOM 935 CD1 ILE A 61 4.602 -0.741 0.760 1.00 0.00 C ATOM 0 H ILE A 61 7.328 -0.925 3.677 1.00 0.00 H new ATOM 0 HA ILE A 61 6.260 1.812 4.186 1.00 0.00 H new ATOM 0 HB ILE A 61 4.664 1.175 2.376 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.673 -0.789 1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.559 -1.336 2.600 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.232 1.795 0.588 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.455 2.788 2.049 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.599 1.475 1.682 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.632 -1.747 0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.630 -0.568 1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.761 -0.013 -0.036 1.00 0.00 H new ATOM 947 N THR A 62 3.916 0.858 4.875 1.00 0.00 N ATOM 948 CA THR A 62 2.819 0.416 5.718 1.00 0.00 C ATOM 949 C THR A 62 1.478 0.837 5.114 1.00 0.00 C ATOM 950 O THR A 62 1.420 1.763 4.307 1.00 0.00 O ATOM 951 CB THR A 62 3.053 0.970 7.126 1.00 0.00 C ATOM 952 OG1 THR A 62 4.245 0.322 7.561 1.00 0.00 O ATOM 953 CG2 THR A 62 1.990 0.503 8.122 1.00 0.00 C ATOM 0 H THR A 62 3.729 1.707 4.342 1.00 0.00 H new ATOM 0 HA THR A 62 2.783 -0.671 5.782 1.00 0.00 H new ATOM 0 HB THR A 62 3.064 2.059 7.090 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.528 -0.329 6.886 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.202 0.924 9.105 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.007 0.837 7.789 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.002 -0.585 8.183 1.00 0.00 H new ATOM 961 N ILE A 63 0.433 0.135 5.527 1.00 0.00 N ATOM 962 CA ILE A 63 -0.903 0.424 5.037 1.00 0.00 C ATOM 963 C ILE A 63 -1.907 0.267 6.181 1.00 0.00 C ATOM 964 O ILE A 63 -1.862 -0.715 6.921 1.00 0.00 O ATOM 965 CB ILE A 63 -1.224 -0.439 3.815 1.00 0.00 C ATOM 966 CG1 ILE A 63 -1.458 -1.896 4.219 1.00 0.00 C ATOM 967 CG2 ILE A 63 -0.134 -0.307 2.750 1.00 0.00 C ATOM 968 CD1 ILE A 63 -2.873 -2.347 3.851 1.00 0.00 C ATOM 0 H ILE A 63 0.485 -0.633 6.196 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.968 1.457 4.695 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.152 -0.075 3.373 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.728 -2.536 3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.304 -2.009 5.292 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.386 -0.930 1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.059 0.733 2.433 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.821 -0.630 3.165 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.013 -3.386 4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.600 -1.720 4.367 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.015 -2.256 2.774 1.00 0.00 H new ATOM 980 N TYR A 64 -2.790 1.249 6.290 1.00 0.00 N ATOM 981 CA TYR A 64 -3.802 1.232 7.332 1.00 0.00 C ATOM 982 C TYR A 64 -5.181 0.907 6.752 1.00 0.00 C ATOM 983 O TYR A 64 -5.388 1.006 5.543 1.00 0.00 O ATOM 984 CB TYR A 64 -3.829 2.645 7.917 1.00 0.00 C ATOM 985 CG TYR A 64 -2.551 3.036 8.661 1.00 0.00 C ATOM 986 CD1 TYR A 64 -1.347 3.081 7.986 1.00 0.00 C ATOM 987 CD2 TYR A 64 -2.599 3.343 10.005 1.00 0.00 C ATOM 988 CE1 TYR A 64 -0.143 3.447 8.686 1.00 0.00 C ATOM 989 CE2 TYR A 64 -1.396 3.711 10.705 1.00 0.00 C ATOM 990 CZ TYR A 64 -0.227 3.744 10.011 1.00 0.00 C ATOM 991 OH TYR A 64 0.910 4.090 10.671 1.00 0.00 O ATOM 0 H TYR A 64 -2.825 2.061 5.674 1.00 0.00 H new ATOM 0 HA TYR A 64 -3.570 0.474 8.080 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -4.000 3.358 7.110 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.674 2.728 8.600 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.308 2.842 6.934 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.540 3.307 10.533 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.805 3.485 8.171 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.421 3.955 11.757 1.00 0.00 H new ATOM 0 HH TYR A 64 1.320 4.865 10.232 1.00 0.00 H new ATOM 1001 N ALA A 65 -6.087 0.526 7.639 1.00 0.00 N ATOM 1002 CA ALA A 65 -7.439 0.186 7.231 1.00 0.00 C ATOM 1003 C ALA A 65 -8.389 0.381 8.414 1.00 0.00 C ATOM 1004 O ALA A 65 -8.194 -0.210 9.475 1.00 0.00 O ATOM 1005 CB ALA A 65 -7.464 -1.245 6.692 1.00 0.00 C ATOM 0 H ALA A 65 -5.911 0.445 8.640 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.775 0.843 6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.478 -1.501 6.386 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.796 -1.323 5.835 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.136 -1.933 7.471 1.00 0.00 H new ATOM 1011 N ASP A 66 -9.398 1.211 8.191 1.00 0.00 N ATOM 1012 CA ASP A 66 -10.379 1.491 9.226 1.00 0.00 C ATOM 1013 C ASP A 66 -11.782 1.440 8.619 1.00 0.00 C ATOM 1014 O ASP A 66 -12.254 2.424 8.053 1.00 0.00 O ATOM 1015 CB ASP A 66 -10.171 2.885 9.819 1.00 0.00 C ATOM 1016 CG ASP A 66 -10.745 3.082 11.224 1.00 0.00 C ATOM 1017 OD1 ASP A 66 -10.849 2.130 12.012 1.00 0.00 O ATOM 1018 OD2 ASP A 66 -11.098 4.291 11.503 1.00 0.00 O ATOM 0 H ASP A 66 -9.557 1.698 7.309 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.263 0.744 10.012 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.102 3.096 9.847 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.623 3.619 9.152 1.00 0.00 H new ATOM 1024 N GLY A 67 -12.410 0.282 8.757 1.00 0.00 N ATOM 1025 CA GLY A 67 -13.750 0.090 8.230 1.00 0.00 C ATOM 1026 C GLY A 67 -14.320 -1.265 8.658 1.00 0.00 C ATOM 1027 O GLY A 67 -14.029 -1.745 9.753 1.00 0.00 O ATOM 0 H GLY A 67 -12.015 -0.533 9.226 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.401 0.890 8.582 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.729 0.152 7.142 1.00 0.00 H new ATOM 1031 N SER A 68 -15.120 -1.841 7.774 1.00 0.00 N ATOM 1032 CA SER A 68 -15.732 -3.131 8.047 1.00 0.00 C ATOM 1033 C SER A 68 -14.907 -4.248 7.407 1.00 0.00 C ATOM 1034 O SER A 68 -14.954 -5.393 7.855 1.00 0.00 O ATOM 1035 CB SER A 68 -17.173 -3.175 7.535 1.00 0.00 C ATOM 1036 OG SER A 68 -18.021 -2.277 8.245 1.00 0.00 O ATOM 0 H SER A 68 -15.359 -1.439 6.868 1.00 0.00 H new ATOM 0 HA SER A 68 -15.753 -3.278 9.127 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.188 -2.925 6.474 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.560 -4.190 7.629 1.00 0.00 H new ATOM 0 HG SER A 68 -18.931 -2.334 7.887 1.00 0.00 H new ATOM 1042 N ASP A 69 -14.169 -3.877 6.371 1.00 0.00 N ATOM 1043 CA ASP A 69 -13.334 -4.834 5.666 1.00 0.00 C ATOM 1044 C ASP A 69 -11.862 -4.495 5.906 1.00 0.00 C ATOM 1045 O ASP A 69 -10.974 -5.143 5.354 1.00 0.00 O ATOM 1046 CB ASP A 69 -13.592 -4.784 4.158 1.00 0.00 C ATOM 1047 CG ASP A 69 -14.698 -3.820 3.722 1.00 0.00 C ATOM 1048 OD1 ASP A 69 -14.850 -2.726 4.287 1.00 0.00 O ATOM 1049 OD2 ASP A 69 -15.432 -4.238 2.748 1.00 0.00 O ATOM 0 H ASP A 69 -14.132 -2.926 6.003 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.573 -5.830 6.040 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.667 -4.502 3.656 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.849 -5.786 3.815 1.00 0.00 H new ATOM 1055 N GLU A 70 -11.649 -3.478 6.730 1.00 0.00 N ATOM 1056 CA GLU A 70 -10.300 -3.044 7.049 1.00 0.00 C ATOM 1057 C GLU A 70 -9.340 -4.236 7.026 1.00 0.00 C ATOM 1058 O GLU A 70 -8.472 -4.322 6.159 1.00 0.00 O ATOM 1059 CB GLU A 70 -10.258 -2.334 8.404 1.00 0.00 C ATOM 1060 CG GLU A 70 -11.187 -3.017 9.410 1.00 0.00 C ATOM 1061 CD GLU A 70 -10.415 -3.462 10.653 1.00 0.00 C ATOM 1062 OE1 GLU A 70 -10.099 -2.631 11.517 1.00 0.00 O ATOM 1063 OE2 GLU A 70 -10.144 -4.722 10.704 1.00 0.00 O ATOM 0 H GLU A 70 -12.388 -2.943 7.186 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.981 -2.329 6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.238 -2.335 8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.552 -1.292 8.282 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.984 -2.331 9.698 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.662 -3.880 8.944 1.00 0.00 H new ATOM 1071 N SER A 71 -9.528 -5.125 7.991 1.00 0.00 N ATOM 1072 CA SER A 71 -8.689 -6.307 8.092 1.00 0.00 C ATOM 1073 C SER A 71 -8.682 -7.059 6.760 1.00 0.00 C ATOM 1074 O SER A 71 -7.631 -7.497 6.295 1.00 0.00 O ATOM 1075 CB SER A 71 -9.167 -7.226 9.218 1.00 0.00 C ATOM 1076 OG SER A 71 -8.292 -7.190 10.343 1.00 0.00 O ATOM 0 H SER A 71 -10.248 -5.050 8.709 1.00 0.00 H new ATOM 0 HA SER A 71 -7.674 -5.987 8.326 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.169 -6.929 9.528 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.238 -8.248 8.846 1.00 0.00 H new ATOM 0 HG SER A 71 -8.412 -6.345 10.824 1.00 0.00 H new ATOM 1082 N ASP A 72 -9.868 -7.188 6.183 1.00 0.00 N ATOM 1083 CA ASP A 72 -10.012 -7.880 4.913 1.00 0.00 C ATOM 1084 C ASP A 72 -9.199 -7.149 3.844 1.00 0.00 C ATOM 1085 O ASP A 72 -8.612 -7.779 2.965 1.00 0.00 O ATOM 1086 CB ASP A 72 -11.474 -7.903 4.461 1.00 0.00 C ATOM 1087 CG ASP A 72 -11.968 -9.255 3.941 1.00 0.00 C ATOM 1088 OD1 ASP A 72 -13.049 -9.728 4.319 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -11.181 -9.835 3.099 1.00 0.00 O ATOM 0 H ASP A 72 -10.738 -6.825 6.572 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.659 -8.903 5.044 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.103 -7.601 5.299 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.608 -7.158 3.677 1.00 0.00 H new ATOM 1095 N ALA A 73 -9.187 -5.828 3.954 1.00 0.00 N ATOM 1096 CA ALA A 73 -8.455 -5.004 3.008 1.00 0.00 C ATOM 1097 C ALA A 73 -6.953 -5.196 3.226 1.00 0.00 C ATOM 1098 O ALA A 73 -6.182 -5.229 2.269 1.00 0.00 O ATOM 1099 CB ALA A 73 -8.884 -3.544 3.162 1.00 0.00 C ATOM 0 H ALA A 73 -9.673 -5.308 4.685 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.681 -5.303 1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.334 -2.926 2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.953 -3.456 2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.671 -3.207 4.177 1.00 0.00 H new ATOM 1105 N ILE A 74 -6.582 -5.319 4.493 1.00 0.00 N ATOM 1106 CA ILE A 74 -5.187 -5.507 4.850 1.00 0.00 C ATOM 1107 C ILE A 74 -4.726 -6.889 4.379 1.00 0.00 C ATOM 1108 O ILE A 74 -3.566 -7.068 4.010 1.00 0.00 O ATOM 1109 CB ILE A 74 -4.979 -5.267 6.347 1.00 0.00 C ATOM 1110 CG1 ILE A 74 -4.016 -4.102 6.587 1.00 0.00 C ATOM 1111 CG2 ILE A 74 -4.519 -6.546 7.048 1.00 0.00 C ATOM 1112 CD1 ILE A 74 -4.592 -3.116 7.605 1.00 0.00 C ATOM 0 H ILE A 74 -7.225 -5.292 5.285 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.562 -4.772 4.343 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.937 -4.987 6.785 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.060 -4.484 6.946 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.821 -3.587 5.646 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.378 -6.348 8.111 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.273 -7.322 6.920 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.577 -6.880 6.614 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.888 -2.298 7.758 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.536 -2.718 7.232 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.763 -3.629 8.552 1.00 0.00 H new ATOM 1124 N GLN A 75 -5.659 -7.829 4.407 1.00 0.00 N ATOM 1125 CA GLN A 75 -5.362 -9.189 3.988 1.00 0.00 C ATOM 1126 C GLN A 75 -5.188 -9.250 2.469 1.00 0.00 C ATOM 1127 O GLN A 75 -4.435 -10.079 1.960 1.00 0.00 O ATOM 1128 CB GLN A 75 -6.453 -10.156 4.454 1.00 0.00 C ATOM 1129 CG GLN A 75 -6.347 -10.418 5.958 1.00 0.00 C ATOM 1130 CD GLN A 75 -4.932 -10.856 6.340 1.00 0.00 C ATOM 1131 OE1 GLN A 75 -4.123 -9.850 6.661 1.00 0.00 O flip ATOM 1132 NE2 GLN A 75 -4.597 -12.029 6.343 1.00 0.00 N flip ATOM 0 H GLN A 75 -6.620 -7.677 4.713 1.00 0.00 H new ATOM 0 HA GLN A 75 -4.426 -9.496 4.454 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.434 -9.742 4.221 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.367 -11.097 3.910 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -6.613 -9.515 6.508 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -7.061 -11.189 6.248 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -5.269 -12.752 6.086 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.645 -12.287 6.603 1.00 0.00 H new ATOM 1141 N ALA A 76 -5.895 -8.360 1.788 1.00 0.00 N ATOM 1142 CA ALA A 76 -5.829 -8.303 0.338 1.00 0.00 C ATOM 1143 C ALA A 76 -4.541 -7.591 -0.081 1.00 0.00 C ATOM 1144 O ALA A 76 -3.907 -7.973 -1.062 1.00 0.00 O ATOM 1145 CB ALA A 76 -7.081 -7.611 -0.205 1.00 0.00 C ATOM 0 H ALA A 76 -6.516 -7.672 2.214 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.804 -9.307 -0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.030 -7.569 -1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.966 -8.172 0.096 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.140 -6.599 0.195 1.00 0.00 H new ATOM 1151 N ILE A 77 -4.193 -6.567 0.686 1.00 0.00 N ATOM 1152 CA ILE A 77 -2.993 -5.797 0.406 1.00 0.00 C ATOM 1153 C ILE A 77 -1.781 -6.732 0.409 1.00 0.00 C ATOM 1154 O ILE A 77 -1.220 -7.031 -0.643 1.00 0.00 O ATOM 1155 CB ILE A 77 -2.869 -4.626 1.382 1.00 0.00 C ATOM 1156 CG1 ILE A 77 -3.521 -3.365 0.811 1.00 0.00 C ATOM 1157 CG2 ILE A 77 -1.408 -4.388 1.771 1.00 0.00 C ATOM 1158 CD1 ILE A 77 -4.864 -3.087 1.491 1.00 0.00 C ATOM 0 H ILE A 77 -4.721 -6.253 1.500 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.049 -5.350 -0.587 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.408 -4.884 2.294 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.856 -2.513 0.949 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.670 -3.482 -0.262 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.348 -3.550 2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.008 -5.283 2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.826 -4.161 0.878 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.307 -2.186 1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.535 -3.931 1.330 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.708 -2.946 2.561 1.00 0.00 H new ATOM 1170 N SER A 78 -1.413 -7.167 1.606 1.00 0.00 N ATOM 1171 CA SER A 78 -0.278 -8.060 1.760 1.00 0.00 C ATOM 1172 C SER A 78 -0.255 -9.079 0.619 1.00 0.00 C ATOM 1173 O SER A 78 0.815 -9.490 0.170 1.00 0.00 O ATOM 1174 CB SER A 78 -0.320 -8.777 3.111 1.00 0.00 C ATOM 1175 OG SER A 78 0.855 -8.538 3.881 1.00 0.00 O ATOM 0 H SER A 78 -1.881 -6.917 2.477 1.00 0.00 H new ATOM 0 HA SER A 78 0.633 -7.463 1.724 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.194 -8.444 3.671 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.435 -9.849 2.949 1.00 0.00 H new ATOM 0 HG SER A 78 1.115 -7.597 3.798 1.00 0.00 H new ATOM 1181 N ASP A 79 -1.447 -9.457 0.182 1.00 0.00 N ATOM 1182 CA ASP A 79 -1.578 -10.421 -0.897 1.00 0.00 C ATOM 1183 C ASP A 79 -1.105 -9.782 -2.205 1.00 0.00 C ATOM 1184 O ASP A 79 -0.278 -10.353 -2.915 1.00 0.00 O ATOM 1185 CB ASP A 79 -3.035 -10.849 -1.081 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.238 -12.113 -1.918 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -3.984 -12.109 -2.909 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -2.581 -13.146 -1.513 1.00 0.00 O ATOM 0 H ASP A 79 -2.331 -9.113 0.556 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.975 -11.293 -0.644 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.478 -11.008 -0.098 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.582 -10.030 -1.549 1.00 0.00 H new ATOM 1194 N VAL A 80 -1.650 -8.606 -2.483 1.00 0.00 N ATOM 1195 CA VAL A 80 -1.294 -7.884 -3.693 1.00 0.00 C ATOM 1196 C VAL A 80 0.198 -7.550 -3.661 1.00 0.00 C ATOM 1197 O VAL A 80 0.874 -7.614 -4.687 1.00 0.00 O ATOM 1198 CB VAL A 80 -2.182 -6.647 -3.843 1.00 0.00 C ATOM 1199 CG1 VAL A 80 -1.759 -5.814 -5.055 1.00 0.00 C ATOM 1200 CG2 VAL A 80 -3.658 -7.039 -3.935 1.00 0.00 C ATOM 0 H VAL A 80 -2.335 -8.136 -1.891 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.469 -8.502 -4.574 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.054 -6.032 -2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.406 -4.941 -5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.726 -5.490 -4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.844 -6.417 -5.959 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.267 -6.141 -4.041 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.810 -7.685 -4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.950 -7.571 -3.030 1.00 0.00 H new ATOM 1210 N LEU A 81 0.669 -7.199 -2.473 1.00 0.00 N ATOM 1211 CA LEU A 81 2.068 -6.853 -2.294 1.00 0.00 C ATOM 1212 C LEU A 81 2.937 -8.064 -2.644 1.00 0.00 C ATOM 1213 O LEU A 81 3.839 -7.965 -3.474 1.00 0.00 O ATOM 1214 CB LEU A 81 2.310 -6.310 -0.885 1.00 0.00 C ATOM 1215 CG LEU A 81 1.740 -4.920 -0.594 1.00 0.00 C ATOM 1216 CD1 LEU A 81 1.598 -4.690 0.911 1.00 0.00 C ATOM 1217 CD2 LEU A 81 2.582 -3.832 -1.264 1.00 0.00 C ATOM 0 H LEU A 81 0.105 -7.147 -1.624 1.00 0.00 H new ATOM 0 HA LEU A 81 2.351 -6.049 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.885 -7.013 -0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.385 -6.285 -0.707 1.00 0.00 H new ATOM 0 HG LEU A 81 0.740 -4.863 -1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.191 -3.695 1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.926 -5.438 1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.576 -4.773 1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.156 -2.854 -1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.603 -3.877 -0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.588 -3.989 -2.343 1.00 0.00 H new ATOM 1229 N SER A 82 2.632 -9.178 -1.995 1.00 0.00 N ATOM 1230 CA SER A 82 3.373 -10.406 -2.227 1.00 0.00 C ATOM 1231 C SER A 82 3.024 -10.976 -3.604 1.00 0.00 C ATOM 1232 O SER A 82 3.851 -11.627 -4.239 1.00 0.00 O ATOM 1233 CB SER A 82 3.084 -11.439 -1.136 1.00 0.00 C ATOM 1234 OG SER A 82 3.330 -10.921 0.168 1.00 0.00 O ATOM 0 H SER A 82 1.882 -9.256 -1.308 1.00 0.00 H new ATOM 0 HA SER A 82 4.437 -10.174 -2.196 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.045 -11.761 -1.208 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.703 -12.321 -1.299 1.00 0.00 H new ATOM 0 HG SER A 82 2.579 -10.354 0.442 1.00 0.00 H new ATOM 1240 N LYS A 83 1.796 -10.709 -4.025 1.00 0.00 N ATOM 1241 CA LYS A 83 1.327 -11.187 -5.314 1.00 0.00 C ATOM 1242 C LYS A 83 2.280 -10.705 -6.410 1.00 0.00 C ATOM 1243 O LYS A 83 2.607 -11.456 -7.328 1.00 0.00 O ATOM 1244 CB LYS A 83 -0.129 -10.775 -5.542 1.00 0.00 C ATOM 1245 CG LYS A 83 -1.090 -11.781 -4.905 1.00 0.00 C ATOM 1246 CD LYS A 83 -2.193 -12.182 -5.888 1.00 0.00 C ATOM 1247 CE LYS A 83 -3.309 -11.136 -5.916 1.00 0.00 C ATOM 1248 NZ LYS A 83 -4.421 -11.588 -6.781 1.00 0.00 N ATOM 0 H LYS A 83 1.112 -10.168 -3.496 1.00 0.00 H new ATOM 0 HA LYS A 83 1.334 -12.277 -5.340 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.301 -9.785 -5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.327 -10.704 -6.611 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.539 -12.667 -4.590 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.535 -11.347 -4.010 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.771 -12.296 -6.887 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.604 -13.150 -5.603 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.676 -10.960 -4.905 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.917 -10.187 -6.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.170 -10.867 -6.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.070 -11.734 -7.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.805 -12.482 -6.414 1.00 0.00 H new ATOM 1262 N GLU A 84 2.700 -9.456 -6.276 1.00 0.00 N ATOM 1263 CA GLU A 84 3.610 -8.865 -7.244 1.00 0.00 C ATOM 1264 C GLU A 84 5.056 -9.242 -6.912 1.00 0.00 C ATOM 1265 O GLU A 84 5.826 -9.602 -7.800 1.00 0.00 O ATOM 1266 CB GLU A 84 3.439 -7.346 -7.301 1.00 0.00 C ATOM 1267 CG GLU A 84 1.977 -6.951 -7.090 1.00 0.00 C ATOM 1268 CD GLU A 84 1.469 -6.085 -8.245 1.00 0.00 C ATOM 1269 OE1 GLU A 84 0.601 -5.224 -8.041 1.00 0.00 O ATOM 1270 OE2 GLU A 84 2.011 -6.333 -9.390 1.00 0.00 O ATOM 0 H GLU A 84 2.428 -8.837 -5.513 1.00 0.00 H new ATOM 0 HA GLU A 84 3.369 -9.262 -8.230 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.060 -6.878 -6.537 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.785 -6.973 -8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.363 -7.848 -7.006 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.876 -6.407 -6.151 1.00 0.00 H new ATOM 1278 N GLY A 85 5.379 -9.148 -5.631 1.00 0.00 N ATOM 1279 CA GLY A 85 6.717 -9.474 -5.171 1.00 0.00 C ATOM 1280 C GLY A 85 7.487 -8.210 -4.781 1.00 0.00 C ATOM 1281 O GLY A 85 8.717 -8.196 -4.801 1.00 0.00 O ATOM 0 H GLY A 85 4.736 -8.850 -4.897 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.657 -10.146 -4.315 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.256 -10.005 -5.956 1.00 0.00 H new ATOM 1285 N LEU A 86 6.731 -7.178 -4.435 1.00 0.00 N ATOM 1286 CA LEU A 86 7.326 -5.913 -4.041 1.00 0.00 C ATOM 1287 C LEU A 86 7.863 -6.029 -2.614 1.00 0.00 C ATOM 1288 O LEU A 86 8.666 -5.204 -2.180 1.00 0.00 O ATOM 1289 CB LEU A 86 6.328 -4.769 -4.232 1.00 0.00 C ATOM 1290 CG LEU A 86 5.773 -4.592 -5.648 1.00 0.00 C ATOM 1291 CD1 LEU A 86 4.322 -4.108 -5.610 1.00 0.00 C ATOM 1292 CD2 LEU A 86 6.666 -3.665 -6.475 1.00 0.00 C ATOM 0 H LEU A 86 5.711 -7.193 -4.420 1.00 0.00 H new ATOM 0 HA LEU A 86 8.175 -5.675 -4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.491 -4.926 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.811 -3.838 -3.933 1.00 0.00 H new ATOM 0 HG LEU A 86 5.776 -5.564 -6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.951 -3.990 -6.628 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.709 -4.838 -5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.271 -3.150 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.249 -3.556 -7.476 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.718 -2.687 -5.996 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.667 -4.090 -6.543 1.00 0.00 H new ATOM 1304 N THR A 87 7.398 -7.059 -1.922 1.00 0.00 N ATOM 1305 CA THR A 87 7.821 -7.294 -0.552 1.00 0.00 C ATOM 1306 C THR A 87 8.151 -8.773 -0.342 1.00 0.00 C ATOM 1307 O THR A 87 7.813 -9.613 -1.175 1.00 0.00 O ATOM 1308 CB THR A 87 6.720 -6.779 0.376 1.00 0.00 C ATOM 1309 OG1 THR A 87 5.778 -7.847 0.425 1.00 0.00 O ATOM 1310 CG2 THR A 87 5.934 -5.617 -0.233 1.00 0.00 C ATOM 0 H THR A 87 6.732 -7.741 -2.285 1.00 0.00 H new ATOM 0 HA THR A 87 8.739 -6.753 -0.322 1.00 0.00 H new ATOM 0 HB THR A 87 7.163 -6.461 1.320 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.031 -7.597 1.008 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.166 -5.291 0.468 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.611 -4.789 -0.440 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.464 -5.942 -1.161 1.00 0.00 H new ATOM 1318 N LYS A 88 8.807 -9.046 0.776 1.00 0.00 N ATOM 1319 CA LYS A 88 9.187 -10.410 1.106 1.00 0.00 C ATOM 1320 C LYS A 88 9.657 -11.125 -0.161 1.00 0.00 C ATOM 1321 O LYS A 88 8.895 -11.867 -0.779 1.00 0.00 O ATOM 1322 CB LYS A 88 8.043 -11.125 1.827 1.00 0.00 C ATOM 1323 CG LYS A 88 8.101 -10.870 3.335 1.00 0.00 C ATOM 1324 CD LYS A 88 8.298 -12.178 4.105 1.00 0.00 C ATOM 1325 CE LYS A 88 9.168 -11.960 5.344 1.00 0.00 C ATOM 1326 NZ LYS A 88 8.583 -12.648 6.516 1.00 0.00 N ATOM 0 H LYS A 88 9.085 -8.347 1.465 1.00 0.00 H new ATOM 0 HA LYS A 88 10.025 -10.414 1.803 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.087 -10.779 1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.099 -12.196 1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.918 -10.185 3.560 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.180 -10.387 3.661 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.329 -12.578 4.403 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.763 -12.920 3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.174 -12.336 5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.258 -10.893 5.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.186 -12.490 7.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.632 -12.271 6.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.519 -13.668 6.324 1.00 0.00 H new TER 1340 LYS A 88