USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 961 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 HIS : +bothHN:sc= 1.78 K(o=1.2,f=-9.6!) USER MOD Set 1.2: B 206 ASN :FLIP amide:sc= -1.13 F(o=-0.25!,f=1.2) USER MOD Set 1.3: B 207 SER OG : rot 6:sc= 0.531 USER MOD Set 2.1: A 96 SER OG : rot -40:sc= 1.28 USER MOD Set 2.2: B 187 HIS : no HE2:sc= 1.25 K(o=2.5,f=-4!) USER MOD Set 3.1: A 55 THR OG1 : rot 176:sc= 0.84 USER MOD Set 3.2: A 62 GLN : amide:sc= -1.29 K(o=1.5,f=-15!) USER MOD Set 3.3: A 95 LYS NZ :NH3+ -170:sc= 2 (180deg=-0.661!) USER MOD Set 4.1: A 69 LYS NZ :NH3+ 153:sc= 1.68 (180deg=-0.636!) USER MOD Set 4.2: A 76 THR OG1 : rot -96:sc= 1.22 USER MOD Set 5.1: A 39 ASN : amide:sc= -0.093 K(o=-0.078,f=-4.1!) USER MOD Set 5.2: A 40 SER OG : rot 180:sc= 0.0154 USER MOD Set 6.1: A 26 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Set 6.2: B 208 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 7.1: A 10 THR OG1 : rot 180:sc= 0 USER MOD Set 7.2: A 19 SER OG : rot -170:sc= -1.65! USER MOD Set 8.1: A 4 THR OG1 : rot 180:sc= 0 USER MOD Set 8.2: A 84 GLN : amide:sc= -1.51! C(o=-0.15!,f=-6.5!) USER MOD Set 8.3: A 87 CYS SG : rot 48:sc= 1.36 USER MOD Set 9.1: A 3 LYS NZ :NH3+ -122:sc= 1.21 (180deg=0) USER MOD Set 9.2: A 9 GLN : amide:sc= 2.05 K(o=3.3,f=-5.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -100:sc= -0.0044 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 30:sc= 0.447 USER MOD Single : A 34 THR OG1 : rot 72:sc= -1.72! USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 37 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.49) USER MOD Single : A 45 GLN : amide:sc= -0.174 K(o=-0.17,f=-3.3!) USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0087) USER MOD Single : A 67 LYS NZ :NH3+ 168:sc= 2.49 (180deg=1.82) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.16 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.524! C(o=-0.52!,f=-5.6!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.0289 X(o=-0.029,f=-0.051) USER MOD Single : B 186 TYR OH : rot 180:sc= 0 USER MOD Single : B 192 TYR OH : rot 180:sc= 0 USER MOD Single : B 196 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 199 LYS NZ :NH3+ -160:sc= -0.0269 (180deg=-0.304) USER MOD Single : B 201 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00838) USER MOD Single : B 204 MET CE :methyl 155:sc= 0 (180deg=-0.221) USER MOD Single : B 205 THR OG1 : rot 180:sc= -0.94 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.721 -13.928 -8.918 1.00 1.79 N ATOM 2 CA MET A 1 -4.335 -12.578 -9.389 1.00 1.50 C ATOM 3 C MET A 1 -5.526 -11.628 -9.330 1.00 1.45 C ATOM 4 O MET A 1 -5.435 -10.530 -8.775 1.00 2.06 O ATOM 5 CB MET A 1 -3.787 -12.645 -10.820 1.00 1.78 C ATOM 6 CG MET A 1 -3.311 -11.301 -11.354 1.00 2.07 C ATOM 7 SD MET A 1 -1.989 -10.586 -10.359 1.00 2.89 S ATOM 8 CE MET A 1 -1.634 -9.100 -11.293 1.00 2.97 C ATOM 0 H1 MET A 1 -3.897 -14.561 -8.965 1.00 1.79 H new ATOM 0 H2 MET A 1 -5.057 -13.870 -7.935 1.00 1.79 H new ATOM 0 H3 MET A 1 -5.480 -14.302 -9.522 1.00 1.79 H new ATOM 0 HA MET A 1 -3.553 -12.199 -8.731 1.00 1.50 H new ATOM 0 HB2 MET A 1 -2.958 -13.353 -10.850 1.00 1.78 H new ATOM 0 HB3 MET A 1 -4.563 -13.034 -11.479 1.00 1.78 H new ATOM 0 HG2 MET A 1 -2.962 -11.425 -12.379 1.00 2.07 H new ATOM 0 HG3 MET A 1 -4.152 -10.608 -11.385 1.00 2.07 H new ATOM 0 HE1 MET A 1 -0.833 -8.545 -10.804 1.00 2.97 H new ATOM 0 HE2 MET A 1 -1.324 -9.370 -12.302 1.00 2.97 H new ATOM 0 HE3 MET A 1 -2.528 -8.479 -11.342 1.00 2.97 H new ATOM 20 N ALA A 2 -6.642 -12.052 -9.905 1.00 1.41 N ATOM 21 CA ALA A 2 -7.850 -11.246 -9.911 1.00 1.47 C ATOM 22 C ALA A 2 -8.535 -11.309 -8.552 1.00 1.31 C ATOM 23 O ALA A 2 -9.373 -12.180 -8.306 1.00 1.40 O ATOM 24 CB ALA A 2 -8.794 -11.718 -11.011 1.00 1.83 C ATOM 0 H ALA A 2 -6.734 -12.953 -10.374 1.00 1.41 H new ATOM 0 HA ALA A 2 -7.579 -10.209 -10.111 1.00 1.47 H new ATOM 0 HB1 ALA A 2 -9.696 -11.105 -11.004 1.00 1.83 H new ATOM 0 HB2 ALA A 2 -8.300 -11.626 -11.978 1.00 1.83 H new ATOM 0 HB3 ALA A 2 -9.062 -12.760 -10.838 1.00 1.83 H new ATOM 30 N LYS A 3 -8.158 -10.394 -7.665 1.00 1.21 N ATOM 31 CA LYS A 3 -8.735 -10.331 -6.328 1.00 1.10 C ATOM 32 C LYS A 3 -10.118 -9.687 -6.374 1.00 1.05 C ATOM 33 O LYS A 3 -10.358 -8.649 -5.763 1.00 1.21 O ATOM 34 CB LYS A 3 -7.822 -9.550 -5.376 1.00 1.11 C ATOM 35 CG LYS A 3 -7.050 -10.437 -4.407 1.00 1.22 C ATOM 36 CD LYS A 3 -6.696 -9.705 -3.121 1.00 1.18 C ATOM 37 CE LYS A 3 -6.118 -10.662 -2.090 1.00 1.23 C ATOM 38 NZ LYS A 3 -5.751 -9.974 -0.823 1.00 1.47 N ATOM 0 H LYS A 3 -7.451 -9.682 -7.850 1.00 1.21 H new ATOM 0 HA LYS A 3 -8.833 -11.350 -5.954 1.00 1.10 H new ATOM 0 HB2 LYS A 3 -7.114 -8.965 -5.963 1.00 1.11 H new ATOM 0 HB3 LYS A 3 -8.425 -8.843 -4.807 1.00 1.11 H new ATOM 0 HG2 LYS A 3 -7.645 -11.319 -4.170 1.00 1.22 H new ATOM 0 HG3 LYS A 3 -6.137 -10.789 -4.887 1.00 1.22 H new ATOM 0 HD2 LYS A 3 -5.975 -8.916 -3.334 1.00 1.18 H new ATOM 0 HD3 LYS A 3 -7.586 -9.223 -2.716 1.00 1.18 H new ATOM 0 HE2 LYS A 3 -6.845 -11.446 -1.878 1.00 1.23 H new ATOM 0 HE3 LYS A 3 -5.236 -11.149 -2.505 1.00 1.23 H new ATOM 0 HZ1 LYS A 3 -4.741 -10.125 -0.626 1.00 1.47 H new ATOM 0 HZ2 LYS A 3 -5.937 -8.955 -0.915 1.00 1.47 H new ATOM 0 HZ3 LYS A 3 -6.318 -10.361 -0.041 1.00 1.47 H new ATOM 52 N THR A 4 -11.011 -10.304 -7.126 1.00 1.06 N ATOM 53 CA THR A 4 -12.372 -9.819 -7.275 1.00 1.06 C ATOM 54 C THR A 4 -13.348 -10.991 -7.227 1.00 1.13 C ATOM 55 O THR A 4 -14.544 -10.842 -7.478 1.00 1.27 O ATOM 56 CB THR A 4 -12.536 -9.060 -8.615 1.00 1.12 C ATOM 57 OG1 THR A 4 -11.323 -8.358 -8.926 1.00 1.22 O ATOM 58 CG2 THR A 4 -13.685 -8.066 -8.549 1.00 1.23 C ATOM 0 H THR A 4 -10.814 -11.156 -7.651 1.00 1.06 H new ATOM 0 HA THR A 4 -12.587 -9.133 -6.455 1.00 1.06 H new ATOM 0 HB THR A 4 -12.755 -9.793 -9.392 1.00 1.12 H new ATOM 0 HG1 THR A 4 -11.430 -7.880 -9.775 1.00 1.22 H new ATOM 0 HG21 THR A 4 -13.774 -7.549 -9.505 1.00 1.23 H new ATOM 0 HG22 THR A 4 -14.613 -8.596 -8.335 1.00 1.23 H new ATOM 0 HG23 THR A 4 -13.492 -7.339 -7.760 1.00 1.23 H new ATOM 66 N GLU A 5 -12.831 -12.161 -6.873 1.00 1.20 N ATOM 67 CA GLU A 5 -13.646 -13.367 -6.815 1.00 1.33 C ATOM 68 C GLU A 5 -13.753 -13.894 -5.391 1.00 1.31 C ATOM 69 O GLU A 5 -14.411 -14.903 -5.139 1.00 1.58 O ATOM 70 CB GLU A 5 -13.040 -14.449 -7.715 1.00 1.56 C ATOM 71 CG GLU A 5 -12.683 -13.958 -9.110 1.00 1.73 C ATOM 72 CD GLU A 5 -13.882 -13.416 -9.857 1.00 1.94 C ATOM 73 OE1 GLU A 5 -14.874 -14.155 -10.007 1.00 2.37 O ATOM 74 OE2 GLU A 5 -13.838 -12.248 -10.296 1.00 2.15 O ATOM 0 H GLU A 5 -11.852 -12.300 -6.622 1.00 1.20 H new ATOM 0 HA GLU A 5 -14.647 -13.113 -7.164 1.00 1.33 H new ATOM 0 HB2 GLU A 5 -12.143 -14.844 -7.238 1.00 1.56 H new ATOM 0 HB3 GLU A 5 -13.746 -15.275 -7.800 1.00 1.56 H new ATOM 0 HG2 GLU A 5 -11.924 -13.180 -9.035 1.00 1.73 H new ATOM 0 HG3 GLU A 5 -12.244 -14.778 -9.679 1.00 1.73 H new ATOM 81 N GLU A 6 -13.099 -13.220 -4.461 1.00 1.20 N ATOM 82 CA GLU A 6 -13.110 -13.645 -3.072 1.00 1.19 C ATOM 83 C GLU A 6 -14.093 -12.830 -2.237 1.00 1.14 C ATOM 84 O GLU A 6 -15.130 -13.341 -1.816 1.00 1.26 O ATOM 85 CB GLU A 6 -11.703 -13.529 -2.474 1.00 1.16 C ATOM 86 CG GLU A 6 -10.637 -14.272 -3.263 1.00 1.41 C ATOM 87 CD GLU A 6 -9.919 -13.395 -4.275 1.00 1.47 C ATOM 88 OE1 GLU A 6 -10.521 -12.416 -4.764 1.00 1.83 O ATOM 89 OE2 GLU A 6 -8.744 -13.686 -4.579 1.00 1.64 O ATOM 0 H GLU A 6 -12.554 -12.377 -4.642 1.00 1.20 H new ATOM 0 HA GLU A 6 -13.434 -14.686 -3.050 1.00 1.19 H new ATOM 0 HB2 GLU A 6 -11.429 -12.476 -2.415 1.00 1.16 H new ATOM 0 HB3 GLU A 6 -11.719 -13.912 -1.454 1.00 1.16 H new ATOM 0 HG2 GLU A 6 -9.906 -14.689 -2.570 1.00 1.41 H new ATOM 0 HG3 GLU A 6 -11.098 -15.112 -3.783 1.00 1.41 H new ATOM 96 N MET A 7 -13.745 -11.564 -2.000 1.00 1.05 N ATOM 97 CA MET A 7 -14.552 -10.640 -1.192 1.00 1.09 C ATOM 98 C MET A 7 -14.537 -11.049 0.282 1.00 1.12 C ATOM 99 O MET A 7 -15.204 -10.443 1.113 1.00 1.32 O ATOM 100 CB MET A 7 -15.995 -10.552 -1.700 1.00 1.22 C ATOM 101 CG MET A 7 -16.670 -9.233 -1.356 1.00 1.44 C ATOM 102 SD MET A 7 -18.431 -9.412 -1.010 1.00 1.75 S ATOM 103 CE MET A 7 -18.396 -9.864 0.725 1.00 2.16 C ATOM 0 H MET A 7 -12.889 -11.145 -2.365 1.00 1.05 H new ATOM 0 HA MET A 7 -14.102 -9.652 -1.289 1.00 1.09 H new ATOM 0 HB2 MET A 7 -16.002 -10.685 -2.782 1.00 1.22 H new ATOM 0 HB3 MET A 7 -16.574 -11.371 -1.274 1.00 1.22 H new ATOM 0 HG2 MET A 7 -16.178 -8.795 -0.488 1.00 1.44 H new ATOM 0 HG3 MET A 7 -16.537 -8.536 -2.184 1.00 1.44 H new ATOM 0 HE1 MET A 7 -19.415 -10.009 1.084 1.00 2.16 H new ATOM 0 HE2 MET A 7 -17.833 -10.789 0.849 1.00 2.16 H new ATOM 0 HE3 MET A 7 -17.919 -9.069 1.299 1.00 2.16 H new ATOM 113 N VAL A 8 -13.759 -12.076 0.594 1.00 1.13 N ATOM 114 CA VAL A 8 -13.647 -12.569 1.958 1.00 1.22 C ATOM 115 C VAL A 8 -12.184 -12.636 2.392 1.00 1.14 C ATOM 116 O VAL A 8 -11.460 -13.577 2.064 1.00 1.34 O ATOM 117 CB VAL A 8 -14.304 -13.960 2.121 1.00 1.45 C ATOM 118 CG1 VAL A 8 -15.806 -13.816 2.302 1.00 1.70 C ATOM 119 CG2 VAL A 8 -13.998 -14.857 0.929 1.00 1.49 C ATOM 0 H VAL A 8 -13.193 -12.586 -0.084 1.00 1.13 H new ATOM 0 HA VAL A 8 -14.179 -11.864 2.597 1.00 1.22 H new ATOM 0 HB VAL A 8 -13.884 -14.429 3.011 1.00 1.45 H new ATOM 0 HG11 VAL A 8 -16.255 -14.803 2.415 1.00 1.70 H new ATOM 0 HG12 VAL A 8 -16.010 -13.220 3.192 1.00 1.70 H new ATOM 0 HG13 VAL A 8 -16.232 -13.322 1.429 1.00 1.70 H new ATOM 0 HG21 VAL A 8 -14.473 -15.827 1.072 1.00 1.49 H new ATOM 0 HG22 VAL A 8 -14.382 -14.396 0.019 1.00 1.49 H new ATOM 0 HG23 VAL A 8 -12.920 -14.990 0.841 1.00 1.49 H new ATOM 129 N GLN A 9 -11.746 -11.601 3.093 1.00 0.97 N ATOM 130 CA GLN A 9 -10.377 -11.517 3.582 1.00 0.93 C ATOM 131 C GLN A 9 -10.351 -11.151 5.071 1.00 0.91 C ATOM 132 O GLN A 9 -11.084 -11.733 5.868 1.00 0.98 O ATOM 133 CB GLN A 9 -9.607 -10.487 2.756 1.00 0.89 C ATOM 134 CG GLN A 9 -9.460 -10.872 1.292 1.00 1.00 C ATOM 135 CD GLN A 9 -8.410 -11.941 1.073 1.00 1.20 C ATOM 136 OE1 GLN A 9 -7.256 -11.639 0.778 1.00 1.49 O ATOM 137 NE2 GLN A 9 -8.799 -13.196 1.224 1.00 1.43 N ATOM 0 H GLN A 9 -12.326 -10.799 3.338 1.00 0.97 H new ATOM 0 HA GLN A 9 -9.899 -12.491 3.474 1.00 0.93 H new ATOM 0 HB2 GLN A 9 -10.117 -9.526 2.821 1.00 0.89 H new ATOM 0 HB3 GLN A 9 -8.616 -10.352 3.190 1.00 0.89 H new ATOM 0 HG2 GLN A 9 -10.419 -11.228 0.916 1.00 1.00 H new ATOM 0 HG3 GLN A 9 -9.198 -9.987 0.712 1.00 1.00 H new ATOM 0 HE21 GLN A 9 -9.767 -13.404 1.469 1.00 1.43 H new ATOM 0 HE22 GLN A 9 -8.131 -13.956 1.095 1.00 1.43 H new ATOM 146 N THR A 10 -9.519 -10.180 5.439 1.00 0.91 N ATOM 147 CA THR A 10 -9.394 -9.755 6.829 1.00 0.91 C ATOM 148 C THR A 10 -10.605 -8.948 7.291 1.00 0.88 C ATOM 149 O THR A 10 -10.984 -7.956 6.667 1.00 0.82 O ATOM 150 CB THR A 10 -8.118 -8.917 7.024 1.00 0.89 C ATOM 151 OG1 THR A 10 -7.008 -9.585 6.407 1.00 0.98 O ATOM 152 CG2 THR A 10 -7.829 -8.694 8.503 1.00 0.96 C ATOM 0 H THR A 10 -8.919 -9.671 4.790 1.00 0.91 H new ATOM 0 HA THR A 10 -9.336 -10.659 7.435 1.00 0.91 H new ATOM 0 HB THR A 10 -8.269 -7.944 6.557 1.00 0.89 H new ATOM 0 HG1 THR A 10 -6.196 -9.051 6.529 1.00 0.98 H new ATOM 0 HG21 THR A 10 -6.922 -8.099 8.611 1.00 0.96 H new ATOM 0 HG22 THR A 10 -8.665 -8.167 8.962 1.00 0.96 H new ATOM 0 HG23 THR A 10 -7.692 -9.656 8.996 1.00 0.96 H new ATOM 160 N GLU A 11 -11.206 -9.385 8.389 1.00 0.99 N ATOM 161 CA GLU A 11 -12.372 -8.723 8.950 1.00 1.04 C ATOM 162 C GLU A 11 -11.958 -7.714 10.014 1.00 1.02 C ATOM 163 O GLU A 11 -10.833 -7.750 10.513 1.00 1.03 O ATOM 164 CB GLU A 11 -13.307 -9.757 9.572 1.00 1.19 C ATOM 165 CG GLU A 11 -14.762 -9.332 9.599 1.00 1.29 C ATOM 166 CD GLU A 11 -15.646 -10.396 10.200 1.00 1.51 C ATOM 167 OE1 GLU A 11 -15.672 -11.524 9.663 1.00 1.58 O ATOM 168 OE2 GLU A 11 -16.304 -10.121 11.224 1.00 1.89 O ATOM 0 H GLU A 11 -10.900 -10.205 8.913 1.00 0.99 H new ATOM 0 HA GLU A 11 -12.887 -8.197 8.146 1.00 1.04 H new ATOM 0 HB2 GLU A 11 -13.222 -10.691 9.016 1.00 1.19 H new ATOM 0 HB3 GLU A 11 -12.980 -9.962 10.591 1.00 1.19 H new ATOM 0 HG2 GLU A 11 -14.861 -8.411 10.173 1.00 1.29 H new ATOM 0 HG3 GLU A 11 -15.095 -9.113 8.585 1.00 1.29 H new ATOM 175 N GLU A 12 -12.872 -6.816 10.352 1.00 1.07 N ATOM 176 CA GLU A 12 -12.617 -5.805 11.366 1.00 1.10 C ATOM 177 C GLU A 12 -13.932 -5.411 12.044 1.00 1.22 C ATOM 178 O GLU A 12 -14.328 -6.022 13.038 1.00 1.54 O ATOM 179 CB GLU A 12 -11.922 -4.588 10.745 1.00 1.07 C ATOM 180 CG GLU A 12 -10.932 -3.901 11.673 1.00 1.18 C ATOM 181 CD GLU A 12 -11.614 -3.129 12.780 1.00 1.74 C ATOM 182 OE1 GLU A 12 -12.364 -2.185 12.468 1.00 2.22 O ATOM 183 OE2 GLU A 12 -11.409 -3.474 13.963 1.00 2.23 O ATOM 0 H GLU A 12 -13.802 -6.768 9.936 1.00 1.07 H new ATOM 0 HA GLU A 12 -11.949 -6.214 12.124 1.00 1.10 H new ATOM 0 HB2 GLU A 12 -11.399 -4.903 9.842 1.00 1.07 H new ATOM 0 HB3 GLU A 12 -12.680 -3.866 10.440 1.00 1.07 H new ATOM 0 HG2 GLU A 12 -10.270 -4.649 12.110 1.00 1.18 H new ATOM 0 HG3 GLU A 12 -10.307 -3.222 11.093 1.00 1.18 H new ATOM 190 N MET A 13 -14.619 -4.416 11.498 1.00 1.20 N ATOM 191 CA MET A 13 -15.888 -3.963 12.060 1.00 1.31 C ATOM 192 C MET A 13 -16.956 -3.926 10.976 1.00 1.28 C ATOM 193 O MET A 13 -17.634 -4.922 10.728 1.00 1.46 O ATOM 194 CB MET A 13 -15.738 -2.583 12.711 1.00 1.40 C ATOM 195 CG MET A 13 -15.289 -2.638 14.161 1.00 1.63 C ATOM 196 SD MET A 13 -15.238 -1.009 14.936 1.00 1.83 S ATOM 197 CE MET A 13 -14.791 -1.461 16.611 1.00 2.25 C ATOM 0 H MET A 13 -14.320 -3.906 10.667 1.00 1.20 H new ATOM 0 HA MET A 13 -16.193 -4.669 12.833 1.00 1.31 H new ATOM 0 HB2 MET A 13 -15.018 -1.997 12.139 1.00 1.40 H new ATOM 0 HB3 MET A 13 -16.692 -2.059 12.655 1.00 1.40 H new ATOM 0 HG2 MET A 13 -15.966 -3.282 14.723 1.00 1.63 H new ATOM 0 HG3 MET A 13 -14.300 -3.092 14.214 1.00 1.63 H new ATOM 0 HE1 MET A 13 -14.718 -0.562 17.223 1.00 2.25 H new ATOM 0 HE2 MET A 13 -15.553 -2.121 17.025 1.00 2.25 H new ATOM 0 HE3 MET A 13 -13.830 -1.975 16.605 1.00 2.25 H new ATOM 207 N GLU A 14 -17.081 -2.782 10.311 1.00 1.19 N ATOM 208 CA GLU A 14 -18.059 -2.627 9.241 1.00 1.18 C ATOM 209 C GLU A 14 -17.471 -3.133 7.930 1.00 1.09 C ATOM 210 O GLU A 14 -18.161 -3.236 6.920 1.00 1.18 O ATOM 211 CB GLU A 14 -18.481 -1.163 9.096 1.00 1.19 C ATOM 212 CG GLU A 14 -17.318 -0.215 8.854 1.00 1.29 C ATOM 213 CD GLU A 14 -17.752 1.094 8.232 1.00 1.54 C ATOM 214 OE1 GLU A 14 -17.810 1.179 6.989 1.00 2.02 O ATOM 215 OE2 GLU A 14 -18.026 2.049 8.980 1.00 2.13 O ATOM 0 H GLU A 14 -16.519 -1.951 10.494 1.00 1.19 H new ATOM 0 HA GLU A 14 -18.943 -3.213 9.492 1.00 1.18 H new ATOM 0 HB2 GLU A 14 -19.187 -1.077 8.270 1.00 1.19 H new ATOM 0 HB3 GLU A 14 -19.008 -0.855 9.999 1.00 1.19 H new ATOM 0 HG2 GLU A 14 -16.815 -0.014 9.800 1.00 1.29 H new ATOM 0 HG3 GLU A 14 -16.590 -0.698 8.203 1.00 1.29 H new ATOM 222 N THR A 15 -16.180 -3.430 7.964 1.00 0.98 N ATOM 223 CA THR A 15 -15.467 -3.934 6.808 1.00 0.90 C ATOM 224 C THR A 15 -15.797 -5.405 6.579 1.00 0.94 C ATOM 225 O THR A 15 -15.494 -6.253 7.423 1.00 0.98 O ATOM 226 CB THR A 15 -13.955 -3.770 7.013 1.00 0.84 C ATOM 227 OG1 THR A 15 -13.708 -3.218 8.319 1.00 0.83 O ATOM 228 CG2 THR A 15 -13.359 -2.861 5.951 1.00 0.91 C ATOM 0 H THR A 15 -15.600 -3.327 8.797 1.00 0.98 H new ATOM 0 HA THR A 15 -15.777 -3.363 5.933 1.00 0.90 H new ATOM 0 HB THR A 15 -13.483 -4.749 6.929 1.00 0.84 H new ATOM 0 HG1 THR A 15 -13.536 -2.256 8.241 1.00 0.83 H new ATOM 0 HG21 THR A 15 -12.287 -2.761 6.118 1.00 0.91 H new ATOM 0 HG22 THR A 15 -13.534 -3.290 4.965 1.00 0.91 H new ATOM 0 HG23 THR A 15 -13.828 -1.879 6.008 1.00 0.91 H new ATOM 236 N PRO A 16 -16.409 -5.725 5.430 1.00 0.97 N ATOM 237 CA PRO A 16 -16.798 -7.095 5.090 1.00 1.04 C ATOM 238 C PRO A 16 -15.617 -7.949 4.634 1.00 0.96 C ATOM 239 O PRO A 16 -15.630 -8.506 3.535 1.00 0.96 O ATOM 240 CB PRO A 16 -17.793 -6.895 3.948 1.00 1.12 C ATOM 241 CG PRO A 16 -17.353 -5.639 3.281 1.00 1.07 C ATOM 242 CD PRO A 16 -16.765 -4.771 4.363 1.00 0.98 C ATOM 0 HA PRO A 16 -17.207 -7.630 5.948 1.00 1.04 H new ATOM 0 HB2 PRO A 16 -17.777 -7.737 3.257 1.00 1.12 H new ATOM 0 HB3 PRO A 16 -18.813 -6.809 4.322 1.00 1.12 H new ATOM 0 HG2 PRO A 16 -16.616 -5.848 2.506 1.00 1.07 H new ATOM 0 HG3 PRO A 16 -18.193 -5.141 2.796 1.00 1.07 H new ATOM 0 HD2 PRO A 16 -15.891 -4.226 4.007 1.00 0.98 H new ATOM 0 HD3 PRO A 16 -17.482 -4.029 4.714 1.00 0.98 H new ATOM 250 N ARG A 17 -14.603 -8.042 5.494 1.00 0.95 N ATOM 251 CA ARG A 17 -13.403 -8.822 5.210 1.00 0.92 C ATOM 252 C ARG A 17 -12.721 -8.326 3.933 1.00 0.82 C ATOM 253 O ARG A 17 -12.757 -8.988 2.897 1.00 0.83 O ATOM 254 CB ARG A 17 -13.750 -10.307 5.090 1.00 1.01 C ATOM 255 CG ARG A 17 -14.399 -10.887 6.334 1.00 1.13 C ATOM 256 CD ARG A 17 -14.427 -12.407 6.289 1.00 1.19 C ATOM 257 NE ARG A 17 -14.996 -12.987 7.502 1.00 1.38 N ATOM 258 CZ ARG A 17 -15.114 -14.297 7.710 1.00 1.67 C ATOM 259 NH1 ARG A 17 -14.669 -15.156 6.804 1.00 1.84 N ATOM 260 NH2 ARG A 17 -15.654 -14.750 8.832 1.00 1.94 N ATOM 0 H ARG A 17 -14.592 -7.580 6.403 1.00 0.95 H new ATOM 0 HA ARG A 17 -12.707 -8.693 6.039 1.00 0.92 H new ATOM 0 HB2 ARG A 17 -14.421 -10.446 4.243 1.00 1.01 H new ATOM 0 HB3 ARG A 17 -12.840 -10.867 4.871 1.00 1.01 H new ATOM 0 HG2 ARG A 17 -13.853 -10.558 7.218 1.00 1.13 H new ATOM 0 HG3 ARG A 17 -15.416 -10.506 6.427 1.00 1.13 H new ATOM 0 HD2 ARG A 17 -15.008 -12.732 5.426 1.00 1.19 H new ATOM 0 HD3 ARG A 17 -13.413 -12.783 6.150 1.00 1.19 H new ATOM 0 HE ARG A 17 -15.322 -12.353 8.232 1.00 1.38 H new ATOM 0 HH11 ARG A 17 -14.236 -14.814 5.946 1.00 1.84 H new ATOM 0 HH12 ARG A 17 -14.760 -16.159 6.964 1.00 1.84 H new ATOM 0 HH21 ARG A 17 -15.982 -14.094 9.541 1.00 1.94 H new ATOM 0 HH22 ARG A 17 -15.742 -15.754 8.986 1.00 1.94 H new ATOM 274 N LEU A 18 -12.075 -7.170 4.023 1.00 0.75 N ATOM 275 CA LEU A 18 -11.420 -6.564 2.869 1.00 0.67 C ATOM 276 C LEU A 18 -9.983 -6.137 3.184 1.00 0.63 C ATOM 277 O LEU A 18 -9.762 -5.235 3.993 1.00 0.66 O ATOM 278 CB LEU A 18 -12.227 -5.341 2.425 1.00 0.65 C ATOM 279 CG LEU A 18 -12.945 -5.458 1.078 1.00 0.64 C ATOM 280 CD1 LEU A 18 -13.959 -6.589 1.094 1.00 0.78 C ATOM 281 CD2 LEU A 18 -13.626 -4.142 0.729 1.00 0.66 C ATOM 0 H LEU A 18 -11.990 -6.632 4.885 1.00 0.75 H new ATOM 0 HA LEU A 18 -11.377 -7.309 2.074 1.00 0.67 H new ATOM 0 HB2 LEU A 18 -12.971 -5.124 3.192 1.00 0.65 H new ATOM 0 HB3 LEU A 18 -11.555 -4.484 2.382 1.00 0.65 H new ATOM 0 HG LEU A 18 -12.200 -5.685 0.315 1.00 0.64 H new ATOM 0 HD11 LEU A 18 -14.453 -6.648 0.124 1.00 0.78 H new ATOM 0 HD12 LEU A 18 -13.450 -7.531 1.300 1.00 0.78 H new ATOM 0 HD13 LEU A 18 -14.702 -6.401 1.869 1.00 0.78 H new ATOM 0 HD21 LEU A 18 -14.133 -4.238 -0.231 1.00 0.66 H new ATOM 0 HD22 LEU A 18 -14.354 -3.893 1.501 1.00 0.66 H new ATOM 0 HD23 LEU A 18 -12.879 -3.351 0.667 1.00 0.66 H new ATOM 293 N SER A 19 -9.013 -6.783 2.541 1.00 0.63 N ATOM 294 CA SER A 19 -7.603 -6.451 2.732 1.00 0.64 C ATOM 295 C SER A 19 -6.953 -6.134 1.384 1.00 0.61 C ATOM 296 O SER A 19 -7.159 -6.848 0.400 1.00 0.70 O ATOM 297 CB SER A 19 -6.867 -7.600 3.424 1.00 0.77 C ATOM 298 OG SER A 19 -7.162 -8.839 2.804 1.00 1.44 O ATOM 0 H SER A 19 -9.179 -7.542 1.881 1.00 0.63 H new ATOM 0 HA SER A 19 -7.536 -5.571 3.371 1.00 0.64 H new ATOM 0 HB2 SER A 19 -5.792 -7.420 3.392 1.00 0.77 H new ATOM 0 HB3 SER A 19 -7.152 -7.638 4.475 1.00 0.77 H new ATOM 0 HG SER A 19 -6.811 -9.571 3.353 1.00 1.44 H new ATOM 304 N VAL A 20 -6.172 -5.065 1.346 1.00 0.55 N ATOM 305 CA VAL A 20 -5.519 -4.626 0.119 1.00 0.56 C ATOM 306 C VAL A 20 -4.072 -5.114 0.031 1.00 0.67 C ATOM 307 O VAL A 20 -3.378 -5.254 1.042 1.00 0.73 O ATOM 308 CB VAL A 20 -5.546 -3.084 0.011 1.00 0.49 C ATOM 309 CG1 VAL A 20 -4.702 -2.453 1.109 1.00 0.55 C ATOM 310 CG2 VAL A 20 -5.079 -2.618 -1.360 1.00 0.53 C ATOM 0 H VAL A 20 -5.973 -4.480 2.158 1.00 0.55 H new ATOM 0 HA VAL A 20 -6.076 -5.063 -0.709 1.00 0.56 H new ATOM 0 HB VAL A 20 -6.578 -2.759 0.140 1.00 0.49 H new ATOM 0 HG11 VAL A 20 -4.735 -1.368 1.015 1.00 0.55 H new ATOM 0 HG12 VAL A 20 -5.095 -2.745 2.083 1.00 0.55 H new ATOM 0 HG13 VAL A 20 -3.671 -2.794 1.017 1.00 0.55 H new ATOM 0 HG21 VAL A 20 -5.109 -1.529 -1.404 1.00 0.53 H new ATOM 0 HG22 VAL A 20 -4.058 -2.960 -1.532 1.00 0.53 H new ATOM 0 HG23 VAL A 20 -5.734 -3.031 -2.127 1.00 0.53 H new ATOM 320 N ILE A 21 -3.630 -5.373 -1.193 1.00 0.73 N ATOM 321 CA ILE A 21 -2.271 -5.819 -1.445 1.00 0.86 C ATOM 322 C ILE A 21 -1.361 -4.619 -1.691 1.00 0.87 C ATOM 323 O ILE A 21 -1.300 -4.089 -2.804 1.00 0.88 O ATOM 324 CB ILE A 21 -2.196 -6.769 -2.664 1.00 0.96 C ATOM 325 CG1 ILE A 21 -3.136 -7.959 -2.475 1.00 0.98 C ATOM 326 CG2 ILE A 21 -0.766 -7.250 -2.886 1.00 1.11 C ATOM 327 CD1 ILE A 21 -3.168 -8.898 -3.662 1.00 1.10 C ATOM 0 H ILE A 21 -4.202 -5.280 -2.033 1.00 0.73 H new ATOM 0 HA ILE A 21 -1.940 -6.365 -0.562 1.00 0.86 H new ATOM 0 HB ILE A 21 -2.512 -6.215 -3.548 1.00 0.96 H new ATOM 0 HG12 ILE A 21 -2.830 -8.516 -1.589 1.00 0.98 H new ATOM 0 HG13 ILE A 21 -4.144 -7.589 -2.287 1.00 0.98 H new ATOM 0 HG21 ILE A 21 -0.736 -7.917 -3.748 1.00 1.11 H new ATOM 0 HG22 ILE A 21 -0.118 -6.393 -3.068 1.00 1.11 H new ATOM 0 HG23 ILE A 21 -0.421 -7.785 -2.001 1.00 1.11 H new ATOM 0 HD11 ILE A 21 -3.855 -9.719 -3.458 1.00 1.10 H new ATOM 0 HD12 ILE A 21 -3.503 -8.355 -4.546 1.00 1.10 H new ATOM 0 HD13 ILE A 21 -2.169 -9.297 -3.838 1.00 1.10 H new ATOM 339 N VAL A 22 -0.689 -4.169 -0.642 1.00 0.89 N ATOM 340 CA VAL A 22 0.228 -3.045 -0.755 1.00 0.93 C ATOM 341 C VAL A 22 1.591 -3.556 -1.189 1.00 1.07 C ATOM 342 O VAL A 22 2.238 -4.300 -0.452 1.00 1.15 O ATOM 343 CB VAL A 22 0.372 -2.282 0.578 1.00 0.92 C ATOM 344 CG1 VAL A 22 1.103 -0.961 0.369 1.00 0.97 C ATOM 345 CG2 VAL A 22 -0.988 -2.050 1.220 1.00 0.80 C ATOM 0 H VAL A 22 -0.761 -4.564 0.296 1.00 0.89 H new ATOM 0 HA VAL A 22 -0.178 -2.353 -1.493 1.00 0.93 H new ATOM 0 HB VAL A 22 0.966 -2.896 1.256 1.00 0.92 H new ATOM 0 HG11 VAL A 22 1.193 -0.440 1.322 1.00 0.97 H new ATOM 0 HG12 VAL A 22 2.097 -1.155 -0.034 1.00 0.97 H new ATOM 0 HG13 VAL A 22 0.542 -0.342 -0.331 1.00 0.97 H new ATOM 0 HG21 VAL A 22 -0.860 -1.510 2.158 1.00 0.80 H new ATOM 0 HG22 VAL A 22 -1.613 -1.464 0.546 1.00 0.80 H new ATOM 0 HG23 VAL A 22 -1.466 -3.010 1.416 1.00 0.80 H new ATOM 355 N THR A 23 2.025 -3.167 -2.376 1.00 1.12 N ATOM 356 CA THR A 23 3.303 -3.628 -2.889 1.00 1.26 C ATOM 357 C THR A 23 4.267 -2.476 -3.179 1.00 1.32 C ATOM 358 O THR A 23 3.887 -1.429 -3.709 1.00 1.28 O ATOM 359 CB THR A 23 3.109 -4.493 -4.157 1.00 1.33 C ATOM 360 OG1 THR A 23 4.371 -4.962 -4.656 1.00 1.89 O ATOM 361 CG2 THR A 23 2.385 -3.718 -5.246 1.00 1.63 C ATOM 0 H THR A 23 1.516 -2.539 -2.998 1.00 1.12 H new ATOM 0 HA THR A 23 3.751 -4.239 -2.105 1.00 1.26 H new ATOM 0 HB THR A 23 2.499 -5.351 -3.875 1.00 1.33 H new ATOM 0 HG1 THR A 23 4.224 -5.508 -5.456 1.00 1.89 H new ATOM 0 HG21 THR A 23 2.263 -4.352 -6.124 1.00 1.63 H new ATOM 0 HG22 THR A 23 1.405 -3.410 -4.883 1.00 1.63 H new ATOM 0 HG23 THR A 23 2.967 -2.836 -5.513 1.00 1.63 H new ATOM 369 N HIS A 24 5.515 -2.687 -2.794 1.00 1.45 N ATOM 370 CA HIS A 24 6.585 -1.723 -3.003 1.00 1.54 C ATOM 371 C HIS A 24 7.737 -2.446 -3.687 1.00 1.61 C ATOM 372 O HIS A 24 8.700 -2.854 -3.035 1.00 1.63 O ATOM 373 CB HIS A 24 7.022 -1.115 -1.656 1.00 1.58 C ATOM 374 CG HIS A 24 8.241 -0.232 -1.711 1.00 1.68 C ATOM 375 ND1 HIS A 24 9.214 -0.243 -0.735 1.00 1.78 N ATOM 376 CD2 HIS A 24 8.635 0.693 -2.620 1.00 1.75 C ATOM 377 CE1 HIS A 24 10.148 0.641 -1.034 1.00 1.88 C ATOM 378 NE2 HIS A 24 9.823 1.222 -2.175 1.00 1.86 N ATOM 0 H HIS A 24 5.817 -3.540 -2.323 1.00 1.45 H new ATOM 0 HA HIS A 24 6.247 -0.900 -3.633 1.00 1.54 H new ATOM 0 HB2 HIS A 24 6.192 -0.535 -1.252 1.00 1.58 H new ATOM 0 HB3 HIS A 24 7.214 -1.927 -0.955 1.00 1.58 H new ATOM 0 HD1 HIS A 24 9.213 -0.842 0.091 1.00 1.78 H new ATOM 0 HD2 HIS A 24 8.113 0.964 -3.526 1.00 1.75 H new ATOM 0 HE1 HIS A 24 11.028 0.853 -0.446 1.00 1.88 H new ATOM 0 HE2 HIS A 24 10.365 1.945 -2.648 1.00 1.86 H new ATOM 387 N SER A 25 7.599 -2.629 -5.001 1.00 1.68 N ATOM 388 CA SER A 25 8.586 -3.334 -5.817 1.00 1.77 C ATOM 389 C SER A 25 8.614 -4.819 -5.450 1.00 1.80 C ATOM 390 O SER A 25 8.094 -5.659 -6.188 1.00 1.90 O ATOM 391 CB SER A 25 9.975 -2.694 -5.673 1.00 1.78 C ATOM 392 OG SER A 25 9.925 -1.313 -6.002 1.00 1.90 O ATOM 0 H SER A 25 6.796 -2.291 -5.531 1.00 1.68 H new ATOM 0 HA SER A 25 8.296 -3.250 -6.864 1.00 1.77 H new ATOM 0 HB2 SER A 25 10.334 -2.817 -4.651 1.00 1.78 H new ATOM 0 HB3 SER A 25 10.685 -3.203 -6.324 1.00 1.78 H new ATOM 0 HG SER A 25 10.818 -0.921 -5.903 1.00 1.90 H new ATOM 398 N ASN A 26 9.188 -5.135 -4.299 1.00 1.77 N ATOM 399 CA ASN A 26 9.260 -6.510 -3.829 1.00 1.82 C ATOM 400 C ASN A 26 8.644 -6.612 -2.436 1.00 1.75 C ATOM 401 O ASN A 26 8.409 -7.705 -1.924 1.00 1.87 O ATOM 402 CB ASN A 26 10.711 -6.996 -3.809 1.00 1.95 C ATOM 403 CG ASN A 26 10.819 -8.509 -3.880 1.00 2.06 C ATOM 404 OD1 ASN A 26 10.849 -9.193 -2.858 1.00 2.28 O ATOM 405 ND2 ASN A 26 10.887 -9.039 -5.090 1.00 2.32 N ATOM 0 H ASN A 26 9.613 -4.453 -3.670 1.00 1.77 H new ATOM 0 HA ASN A 26 8.698 -7.146 -4.513 1.00 1.82 H new ATOM 0 HB2 ASN A 26 11.249 -6.557 -4.649 1.00 1.95 H new ATOM 0 HB3 ASN A 26 11.197 -6.643 -2.899 1.00 1.95 H new ATOM 0 HD21 ASN A 26 10.968 -10.050 -5.200 1.00 2.32 H new ATOM 0 HD22 ASN A 26 10.859 -8.437 -5.913 1.00 2.32 H new ATOM 412 N GLU A 27 8.378 -5.455 -1.839 1.00 1.66 N ATOM 413 CA GLU A 27 7.788 -5.382 -0.508 1.00 1.60 C ATOM 414 C GLU A 27 6.285 -5.584 -0.586 1.00 1.47 C ATOM 415 O GLU A 27 5.648 -5.152 -1.548 1.00 1.48 O ATOM 416 CB GLU A 27 8.083 -4.019 0.114 1.00 1.63 C ATOM 417 CG GLU A 27 8.657 -4.089 1.515 1.00 1.89 C ATOM 418 CD GLU A 27 9.282 -2.779 1.955 1.00 1.91 C ATOM 419 OE1 GLU A 27 8.933 -1.716 1.392 1.00 2.14 O ATOM 420 OE2 GLU A 27 10.130 -2.813 2.862 1.00 2.24 O ATOM 0 H GLU A 27 8.564 -4.546 -2.262 1.00 1.66 H new ATOM 0 HA GLU A 27 8.222 -6.168 0.109 1.00 1.60 H new ATOM 0 HB2 GLU A 27 8.783 -3.483 -0.527 1.00 1.63 H new ATOM 0 HB3 GLU A 27 7.162 -3.436 0.139 1.00 1.63 H new ATOM 0 HG2 GLU A 27 7.867 -4.363 2.214 1.00 1.89 H new ATOM 0 HG3 GLU A 27 9.408 -4.878 1.557 1.00 1.89 H new ATOM 427 N ARG A 28 5.717 -6.225 0.423 1.00 1.44 N ATOM 428 CA ARG A 28 4.287 -6.469 0.446 1.00 1.33 C ATOM 429 C ARG A 28 3.745 -6.348 1.863 1.00 1.28 C ATOM 430 O ARG A 28 4.244 -6.987 2.787 1.00 1.36 O ATOM 431 CB ARG A 28 3.966 -7.853 -0.124 1.00 1.41 C ATOM 432 CG ARG A 28 2.702 -7.889 -0.973 1.00 1.45 C ATOM 433 CD ARG A 28 1.446 -7.744 -0.126 1.00 1.48 C ATOM 434 NE ARG A 28 0.796 -9.027 0.125 1.00 1.48 N ATOM 435 CZ ARG A 28 -0.294 -9.173 0.878 1.00 1.51 C ATOM 436 NH1 ARG A 28 -0.838 -8.120 1.475 1.00 1.47 N ATOM 437 NH2 ARG A 28 -0.838 -10.372 1.044 1.00 1.92 N ATOM 0 H ARG A 28 6.223 -6.584 1.233 1.00 1.44 H new ATOM 0 HA ARG A 28 3.805 -5.716 -0.177 1.00 1.33 H new ATOM 0 HB2 ARG A 28 4.808 -8.191 -0.728 1.00 1.41 H new ATOM 0 HB3 ARG A 28 3.860 -8.559 0.699 1.00 1.41 H new ATOM 0 HG2 ARG A 28 2.737 -7.087 -1.711 1.00 1.45 H new ATOM 0 HG3 ARG A 28 2.662 -8.828 -1.525 1.00 1.45 H new ATOM 0 HD2 ARG A 28 1.704 -7.277 0.825 1.00 1.48 H new ATOM 0 HD3 ARG A 28 0.746 -7.077 -0.629 1.00 1.48 H new ATOM 0 HE ARG A 28 1.200 -9.861 -0.301 1.00 1.48 H new ATOM 0 HH11 ARG A 28 -0.422 -7.196 1.358 1.00 1.47 H new ATOM 0 HH12 ARG A 28 -1.672 -8.235 2.051 1.00 1.47 H new ATOM 0 HH21 ARG A 28 -0.422 -11.188 0.594 1.00 1.92 H new ATOM 0 HH22 ARG A 28 -1.672 -10.478 1.621 1.00 1.92 H new ATOM 451 N TYR A 29 2.739 -5.506 2.021 1.00 1.17 N ATOM 452 CA TYR A 29 2.100 -5.296 3.311 1.00 1.13 C ATOM 453 C TYR A 29 0.616 -5.611 3.201 1.00 1.01 C ATOM 454 O TYR A 29 0.030 -5.488 2.122 1.00 1.00 O ATOM 455 CB TYR A 29 2.280 -3.853 3.784 1.00 1.13 C ATOM 456 CG TYR A 29 3.713 -3.461 4.052 1.00 1.30 C ATOM 457 CD1 TYR A 29 4.323 -3.773 5.260 1.00 1.52 C ATOM 458 CD2 TYR A 29 4.450 -2.768 3.102 1.00 1.60 C ATOM 459 CE1 TYR A 29 5.630 -3.405 5.513 1.00 1.82 C ATOM 460 CE2 TYR A 29 5.758 -2.400 3.347 1.00 1.88 C ATOM 461 CZ TYR A 29 6.343 -2.719 4.553 1.00 1.91 C ATOM 462 OH TYR A 29 7.644 -2.348 4.802 1.00 2.29 O ATOM 0 H TYR A 29 2.342 -4.950 1.263 1.00 1.17 H new ATOM 0 HA TYR A 29 2.569 -5.959 4.038 1.00 1.13 H new ATOM 0 HB2 TYR A 29 1.867 -3.182 3.031 1.00 1.13 H new ATOM 0 HB3 TYR A 29 1.699 -3.706 4.695 1.00 1.13 H new ATOM 0 HD1 TYR A 29 3.767 -4.312 6.013 1.00 1.52 H new ATOM 0 HD2 TYR A 29 3.994 -2.513 2.157 1.00 1.60 H new ATOM 0 HE1 TYR A 29 6.091 -3.653 6.458 1.00 1.82 H new ATOM 0 HE2 TYR A 29 6.320 -1.864 2.596 1.00 1.88 H new ATOM 0 HH TYR A 29 8.058 -2.995 5.411 1.00 2.29 H new ATOM 472 N ASP A 30 0.014 -6.022 4.304 1.00 0.98 N ATOM 473 CA ASP A 30 -1.405 -6.344 4.316 1.00 0.90 C ATOM 474 C ASP A 30 -2.153 -5.309 5.141 1.00 0.84 C ATOM 475 O ASP A 30 -1.999 -5.242 6.364 1.00 0.96 O ATOM 476 CB ASP A 30 -1.640 -7.744 4.883 1.00 0.97 C ATOM 477 CG ASP A 30 -2.862 -8.407 4.286 1.00 1.07 C ATOM 478 OD1 ASP A 30 -2.849 -8.700 3.071 1.00 1.28 O ATOM 479 OD2 ASP A 30 -3.832 -8.652 5.028 1.00 1.34 O ATOM 0 H ASP A 30 0.483 -6.141 5.202 1.00 0.98 H new ATOM 0 HA ASP A 30 -1.778 -6.328 3.292 1.00 0.90 H new ATOM 0 HB2 ASP A 30 -0.763 -8.363 4.692 1.00 0.97 H new ATOM 0 HB3 ASP A 30 -1.756 -7.681 5.965 1.00 0.97 H new ATOM 484 N LEU A 31 -2.945 -4.493 4.467 1.00 0.71 N ATOM 485 CA LEU A 31 -3.703 -3.440 5.126 1.00 0.66 C ATOM 486 C LEU A 31 -5.195 -3.617 4.864 1.00 0.58 C ATOM 487 O LEU A 31 -5.596 -4.070 3.793 1.00 0.59 O ATOM 488 CB LEU A 31 -3.231 -2.071 4.615 1.00 0.66 C ATOM 489 CG LEU A 31 -3.073 -0.963 5.670 1.00 0.77 C ATOM 490 CD1 LEU A 31 -4.417 -0.328 5.993 1.00 0.95 C ATOM 491 CD2 LEU A 31 -2.425 -1.505 6.937 1.00 0.98 C ATOM 0 H LEU A 31 -3.081 -4.539 3.457 1.00 0.71 H new ATOM 0 HA LEU A 31 -3.535 -3.498 6.201 1.00 0.66 H new ATOM 0 HB2 LEU A 31 -2.272 -2.205 4.115 1.00 0.66 H new ATOM 0 HB3 LEU A 31 -3.938 -1.726 3.861 1.00 0.66 H new ATOM 0 HG LEU A 31 -2.420 -0.196 5.253 1.00 0.77 H new ATOM 0 HD11 LEU A 31 -4.280 0.453 6.741 1.00 0.95 H new ATOM 0 HD12 LEU A 31 -4.841 0.107 5.088 1.00 0.95 H new ATOM 0 HD13 LEU A 31 -5.095 -1.088 6.382 1.00 0.95 H new ATOM 0 HD21 LEU A 31 -2.325 -0.702 7.667 1.00 0.98 H new ATOM 0 HD22 LEU A 31 -3.047 -2.298 7.353 1.00 0.98 H new ATOM 0 HD23 LEU A 31 -1.439 -1.904 6.699 1.00 0.98 H new ATOM 503 N LEU A 32 -6.005 -3.268 5.850 1.00 0.55 N ATOM 504 CA LEU A 32 -7.453 -3.369 5.734 1.00 0.52 C ATOM 505 C LEU A 32 -7.989 -2.174 4.953 1.00 0.43 C ATOM 506 O LEU A 32 -7.437 -1.079 5.048 1.00 0.43 O ATOM 507 CB LEU A 32 -8.087 -3.409 7.129 1.00 0.60 C ATOM 508 CG LEU A 32 -9.612 -3.501 7.152 1.00 0.73 C ATOM 509 CD1 LEU A 32 -10.055 -4.931 7.408 1.00 0.94 C ATOM 510 CD2 LEU A 32 -10.183 -2.564 8.205 1.00 0.85 C ATOM 0 H LEU A 32 -5.682 -2.909 6.748 1.00 0.55 H new ATOM 0 HA LEU A 32 -7.707 -4.287 5.204 1.00 0.52 H new ATOM 0 HB2 LEU A 32 -7.680 -4.263 7.670 1.00 0.60 H new ATOM 0 HB3 LEU A 32 -7.785 -2.514 7.673 1.00 0.60 H new ATOM 0 HG LEU A 32 -9.993 -3.196 6.178 1.00 0.73 H new ATOM 0 HD11 LEU A 32 -11.144 -4.978 7.421 1.00 0.94 H new ATOM 0 HD12 LEU A 32 -9.674 -5.577 6.617 1.00 0.94 H new ATOM 0 HD13 LEU A 32 -9.666 -5.266 8.370 1.00 0.94 H new ATOM 0 HD21 LEU A 32 -11.270 -2.641 8.209 1.00 0.85 H new ATOM 0 HD22 LEU A 32 -9.796 -2.840 9.186 1.00 0.85 H new ATOM 0 HD23 LEU A 32 -9.893 -1.539 7.976 1.00 0.85 H new ATOM 522 N VAL A 33 -9.047 -2.382 4.175 1.00 0.41 N ATOM 523 CA VAL A 33 -9.637 -1.297 3.399 1.00 0.36 C ATOM 524 C VAL A 33 -10.191 -0.231 4.344 1.00 0.41 C ATOM 525 O VAL A 33 -10.632 -0.545 5.453 1.00 0.51 O ATOM 526 CB VAL A 33 -10.734 -1.812 2.429 1.00 0.39 C ATOM 527 CG1 VAL A 33 -12.133 -1.388 2.856 1.00 0.49 C ATOM 528 CG2 VAL A 33 -10.448 -1.349 1.008 1.00 0.56 C ATOM 0 H VAL A 33 -9.510 -3.284 4.066 1.00 0.41 H new ATOM 0 HA VAL A 33 -8.856 -0.853 2.782 1.00 0.36 H new ATOM 0 HB VAL A 33 -10.705 -2.901 2.463 1.00 0.39 H new ATOM 0 HG11 VAL A 33 -12.863 -1.774 2.144 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -12.347 -1.787 3.848 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -12.191 -0.300 2.882 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -11.227 -1.719 0.341 1.00 0.56 H new ATOM 0 HG22 VAL A 33 -10.431 -0.260 0.977 1.00 0.56 H new ATOM 0 HG23 VAL A 33 -9.481 -1.736 0.687 1.00 0.56 H new ATOM 538 N THR A 34 -10.158 1.017 3.909 1.00 0.39 N ATOM 539 CA THR A 34 -10.626 2.121 4.726 1.00 0.48 C ATOM 540 C THR A 34 -12.153 2.195 4.748 1.00 0.59 C ATOM 541 O THR A 34 -12.792 2.476 3.731 1.00 0.65 O ATOM 542 CB THR A 34 -10.037 3.448 4.226 1.00 0.51 C ATOM 543 OG1 THR A 34 -8.718 3.214 3.705 1.00 0.49 O ATOM 544 CG2 THR A 34 -9.968 4.466 5.354 1.00 0.64 C ATOM 0 H THR A 34 -9.810 1.291 2.990 1.00 0.39 H new ATOM 0 HA THR A 34 -10.285 1.944 5.746 1.00 0.48 H new ATOM 0 HB THR A 34 -10.681 3.846 3.442 1.00 0.51 H new ATOM 0 HG1 THR A 34 -8.783 2.737 2.852 1.00 0.49 H new ATOM 0 HG21 THR A 34 -9.548 5.398 4.977 1.00 0.64 H new ATOM 0 HG22 THR A 34 -10.971 4.650 5.740 1.00 0.64 H new ATOM 0 HG23 THR A 34 -9.336 4.080 6.154 1.00 0.64 H new ATOM 552 N PRO A 35 -12.752 1.937 5.923 1.00 0.73 N ATOM 553 CA PRO A 35 -14.200 1.956 6.108 1.00 0.89 C ATOM 554 C PRO A 35 -14.733 3.359 6.403 1.00 0.93 C ATOM 555 O PRO A 35 -14.138 4.352 5.980 1.00 0.93 O ATOM 556 CB PRO A 35 -14.373 1.040 7.316 1.00 1.07 C ATOM 557 CG PRO A 35 -13.166 1.305 8.149 1.00 1.07 C ATOM 558 CD PRO A 35 -12.050 1.606 7.182 1.00 0.82 C ATOM 0 HA PRO A 35 -14.749 1.641 5.220 1.00 0.89 H new ATOM 0 HB2 PRO A 35 -15.290 1.266 7.860 1.00 1.07 H new ATOM 0 HB3 PRO A 35 -14.429 -0.007 7.018 1.00 1.07 H new ATOM 0 HG2 PRO A 35 -13.334 2.144 8.824 1.00 1.07 H new ATOM 0 HG3 PRO A 35 -12.923 0.442 8.769 1.00 1.07 H new ATOM 0 HD2 PRO A 35 -11.435 2.437 7.527 1.00 0.82 H new ATOM 0 HD3 PRO A 35 -11.387 0.750 7.057 1.00 0.82 H new ATOM 566 N GLN A 36 -15.854 3.419 7.130 1.00 1.02 N ATOM 567 CA GLN A 36 -16.496 4.679 7.503 1.00 1.13 C ATOM 568 C GLN A 36 -17.202 5.300 6.303 1.00 1.16 C ATOM 569 O GLN A 36 -17.280 6.523 6.173 1.00 1.24 O ATOM 570 CB GLN A 36 -15.495 5.667 8.121 1.00 1.16 C ATOM 571 CG GLN A 36 -15.104 5.321 9.550 1.00 1.38 C ATOM 572 CD GLN A 36 -14.023 6.234 10.102 1.00 1.95 C ATOM 573 OE1 GLN A 36 -13.906 7.395 9.704 1.00 2.47 O ATOM 574 NE2 GLN A 36 -13.221 5.719 11.022 1.00 2.33 N ATOM 0 H GLN A 36 -16.341 2.592 7.476 1.00 1.02 H new ATOM 0 HA GLN A 36 -17.243 4.454 8.265 1.00 1.13 H new ATOM 0 HB2 GLN A 36 -14.597 5.696 7.504 1.00 1.16 H new ATOM 0 HB3 GLN A 36 -15.926 6.668 8.103 1.00 1.16 H new ATOM 0 HG2 GLN A 36 -15.986 5.382 10.188 1.00 1.38 H new ATOM 0 HG3 GLN A 36 -14.755 4.289 9.587 1.00 1.38 H new ATOM 0 HE21 GLN A 36 -13.348 4.754 11.327 1.00 2.33 H new ATOM 0 HE22 GLN A 36 -12.476 6.288 11.426 1.00 2.33 H new ATOM 583 N GLN A 37 -17.717 4.444 5.427 1.00 1.15 N ATOM 584 CA GLN A 37 -18.435 4.897 4.241 1.00 1.23 C ATOM 585 C GLN A 37 -19.573 3.934 3.902 1.00 1.30 C ATOM 586 O GLN A 37 -20.693 4.096 4.387 1.00 1.64 O ATOM 587 CB GLN A 37 -17.487 5.050 3.047 1.00 1.16 C ATOM 588 CG GLN A 37 -17.634 6.375 2.312 1.00 1.33 C ATOM 589 CD GLN A 37 -19.037 6.613 1.787 1.00 1.52 C ATOM 590 OE1 GLN A 37 -19.372 6.216 0.671 1.00 1.79 O ATOM 591 NE2 GLN A 37 -19.859 7.278 2.580 1.00 1.82 N ATOM 0 H GLN A 37 -17.650 3.430 5.516 1.00 1.15 H new ATOM 0 HA GLN A 37 -18.862 5.876 4.460 1.00 1.23 H new ATOM 0 HB2 GLN A 37 -16.459 4.951 3.396 1.00 1.16 H new ATOM 0 HB3 GLN A 37 -17.666 4.235 2.346 1.00 1.16 H new ATOM 0 HG2 GLN A 37 -17.361 7.189 2.984 1.00 1.33 H new ATOM 0 HG3 GLN A 37 -16.932 6.401 1.479 1.00 1.33 H new ATOM 0 HE21 GLN A 37 -19.542 7.589 3.498 1.00 1.82 H new ATOM 0 HE22 GLN A 37 -20.811 7.480 2.274 1.00 1.82 H new ATOM 600 N GLY A 38 -19.285 2.925 3.089 1.00 1.14 N ATOM 601 CA GLY A 38 -20.310 1.976 2.715 1.00 1.21 C ATOM 602 C GLY A 38 -19.777 0.569 2.580 1.00 1.14 C ATOM 603 O GLY A 38 -19.951 -0.054 1.535 1.00 1.17 O ATOM 0 H GLY A 38 -18.365 2.749 2.685 1.00 1.14 H new ATOM 0 HA2 GLY A 38 -21.103 1.990 3.462 1.00 1.21 H new ATOM 0 HA3 GLY A 38 -20.757 2.283 1.770 1.00 1.21 H new ATOM 607 N ASN A 39 -19.147 0.081 3.657 1.00 1.13 N ATOM 608 CA ASN A 39 -18.548 -1.267 3.740 1.00 1.11 C ATOM 609 C ASN A 39 -17.770 -1.666 2.476 1.00 0.97 C ATOM 610 O ASN A 39 -16.557 -1.472 2.414 1.00 0.89 O ATOM 611 CB ASN A 39 -19.588 -2.345 4.119 1.00 1.30 C ATOM 612 CG ASN A 39 -20.923 -2.215 3.407 1.00 1.40 C ATOM 613 OD1 ASN A 39 -21.102 -2.731 2.306 1.00 1.84 O ATOM 614 ND2 ASN A 39 -21.871 -1.539 4.037 1.00 1.70 N ATOM 0 H ASN A 39 -19.035 0.620 4.516 1.00 1.13 H new ATOM 0 HA ASN A 39 -17.818 -1.210 4.548 1.00 1.11 H new ATOM 0 HB2 ASN A 39 -19.169 -3.327 3.901 1.00 1.30 H new ATOM 0 HB3 ASN A 39 -19.759 -2.303 5.195 1.00 1.30 H new ATOM 0 HD21 ASN A 39 -22.791 -1.431 3.609 1.00 1.70 H new ATOM 0 HD22 ASN A 39 -21.682 -1.126 4.950 1.00 1.70 H new ATOM 621 N SER A 40 -18.455 -2.231 1.486 1.00 1.02 N ATOM 622 CA SER A 40 -17.816 -2.646 0.241 1.00 0.95 C ATOM 623 C SER A 40 -17.287 -1.438 -0.538 1.00 0.87 C ATOM 624 O SER A 40 -16.415 -1.573 -1.399 1.00 0.82 O ATOM 625 CB SER A 40 -18.813 -3.430 -0.611 1.00 1.07 C ATOM 626 OG SER A 40 -19.599 -4.291 0.199 1.00 1.30 O ATOM 0 H SER A 40 -19.458 -2.413 1.522 1.00 1.02 H new ATOM 0 HA SER A 40 -16.967 -3.284 0.484 1.00 0.95 H new ATOM 0 HB2 SER A 40 -19.461 -2.739 -1.150 1.00 1.07 H new ATOM 0 HB3 SER A 40 -18.278 -4.015 -1.359 1.00 1.07 H new ATOM 0 HG SER A 40 -20.232 -4.783 -0.365 1.00 1.30 H new ATOM 632 N GLU A 41 -17.830 -0.263 -0.240 1.00 0.92 N ATOM 633 CA GLU A 41 -17.406 0.968 -0.886 1.00 0.88 C ATOM 634 C GLU A 41 -16.565 1.788 0.090 1.00 0.81 C ATOM 635 O GLU A 41 -17.095 2.362 1.046 1.00 0.90 O ATOM 636 CB GLU A 41 -18.620 1.776 -1.352 1.00 1.02 C ATOM 637 CG GLU A 41 -18.313 2.744 -2.483 1.00 1.34 C ATOM 638 CD GLU A 41 -19.568 3.296 -3.125 1.00 1.49 C ATOM 639 OE1 GLU A 41 -20.438 2.493 -3.526 1.00 1.83 O ATOM 640 OE2 GLU A 41 -19.695 4.534 -3.239 1.00 1.73 O ATOM 0 H GLU A 41 -18.570 -0.140 0.451 1.00 0.92 H new ATOM 0 HA GLU A 41 -16.806 0.723 -1.762 1.00 0.88 H new ATOM 0 HB2 GLU A 41 -19.400 1.088 -1.677 1.00 1.02 H new ATOM 0 HB3 GLU A 41 -19.020 2.335 -0.506 1.00 1.02 H new ATOM 0 HG2 GLU A 41 -17.711 3.568 -2.099 1.00 1.34 H new ATOM 0 HG3 GLU A 41 -17.714 2.237 -3.239 1.00 1.34 H new ATOM 647 N PRO A 42 -15.241 1.814 -0.114 1.00 0.69 N ATOM 648 CA PRO A 42 -14.312 2.552 0.746 1.00 0.67 C ATOM 649 C PRO A 42 -14.371 4.061 0.524 1.00 0.69 C ATOM 650 O PRO A 42 -14.935 4.533 -0.463 1.00 0.77 O ATOM 651 CB PRO A 42 -12.930 2.017 0.341 1.00 0.60 C ATOM 652 CG PRO A 42 -13.184 0.874 -0.586 1.00 0.62 C ATOM 653 CD PRO A 42 -14.532 1.117 -1.191 1.00 0.64 C ATOM 0 HA PRO A 42 -14.552 2.407 1.799 1.00 0.67 H new ATOM 0 HB2 PRO A 42 -12.340 2.792 -0.148 1.00 0.60 H new ATOM 0 HB3 PRO A 42 -12.366 1.692 1.215 1.00 0.60 H new ATOM 0 HG2 PRO A 42 -12.415 0.820 -1.357 1.00 0.62 H new ATOM 0 HG3 PRO A 42 -13.164 -0.074 -0.049 1.00 0.62 H new ATOM 0 HD2 PRO A 42 -14.468 1.724 -2.094 1.00 0.64 H new ATOM 0 HD3 PRO A 42 -15.027 0.186 -1.467 1.00 0.64 H new ATOM 661 N VAL A 43 -13.778 4.809 1.449 1.00 0.67 N ATOM 662 CA VAL A 43 -13.751 6.267 1.361 1.00 0.72 C ATOM 663 C VAL A 43 -12.771 6.728 0.288 1.00 0.65 C ATOM 664 O VAL A 43 -12.010 5.931 -0.254 1.00 0.58 O ATOM 665 CB VAL A 43 -13.341 6.917 2.702 1.00 0.76 C ATOM 666 CG1 VAL A 43 -14.386 6.665 3.770 1.00 0.90 C ATOM 667 CG2 VAL A 43 -11.985 6.406 3.154 1.00 0.67 C ATOM 0 H VAL A 43 -13.308 4.429 2.271 1.00 0.67 H new ATOM 0 HA VAL A 43 -14.763 6.580 1.106 1.00 0.72 H new ATOM 0 HB VAL A 43 -13.269 7.993 2.545 1.00 0.76 H new ATOM 0 HG11 VAL A 43 -14.073 7.133 4.703 1.00 0.90 H new ATOM 0 HG12 VAL A 43 -15.339 7.089 3.454 1.00 0.90 H new ATOM 0 HG13 VAL A 43 -14.499 5.592 3.922 1.00 0.90 H new ATOM 0 HG21 VAL A 43 -11.716 6.876 4.100 1.00 0.67 H new ATOM 0 HG22 VAL A 43 -12.029 5.325 3.286 1.00 0.67 H new ATOM 0 HG23 VAL A 43 -11.235 6.649 2.401 1.00 0.67 H new ATOM 677 N VAL A 44 -12.784 8.023 -0.009 1.00 0.72 N ATOM 678 CA VAL A 44 -11.877 8.580 -1.010 1.00 0.71 C ATOM 679 C VAL A 44 -10.431 8.531 -0.522 1.00 0.66 C ATOM 680 O VAL A 44 -9.501 8.432 -1.318 1.00 0.68 O ATOM 681 CB VAL A 44 -12.234 10.036 -1.389 1.00 0.85 C ATOM 682 CG1 VAL A 44 -13.233 10.062 -2.533 1.00 1.06 C ATOM 683 CG2 VAL A 44 -12.775 10.798 -0.190 1.00 0.98 C ATOM 0 H VAL A 44 -13.407 8.704 0.425 1.00 0.72 H new ATOM 0 HA VAL A 44 -11.989 7.961 -1.900 1.00 0.71 H new ATOM 0 HB VAL A 44 -11.320 10.530 -1.717 1.00 0.85 H new ATOM 0 HG11 VAL A 44 -13.471 11.095 -2.785 1.00 1.06 H new ATOM 0 HG12 VAL A 44 -12.803 9.567 -3.403 1.00 1.06 H new ATOM 0 HG13 VAL A 44 -14.143 9.543 -2.233 1.00 1.06 H new ATOM 0 HG21 VAL A 44 -13.017 11.818 -0.487 1.00 0.98 H new ATOM 0 HG22 VAL A 44 -13.674 10.304 0.179 1.00 0.98 H new ATOM 0 HG23 VAL A 44 -12.022 10.818 0.598 1.00 0.98 H new ATOM 693 N GLN A 45 -10.252 8.579 0.793 1.00 0.66 N ATOM 694 CA GLN A 45 -8.921 8.540 1.394 1.00 0.65 C ATOM 695 C GLN A 45 -8.427 7.108 1.549 1.00 0.57 C ATOM 696 O GLN A 45 -7.389 6.871 2.164 1.00 0.62 O ATOM 697 CB GLN A 45 -8.928 9.205 2.772 1.00 0.74 C ATOM 698 CG GLN A 45 -9.105 10.714 2.742 1.00 1.07 C ATOM 699 CD GLN A 45 -10.485 11.152 3.194 1.00 1.44 C ATOM 700 OE1 GLN A 45 -11.482 10.471 2.951 1.00 1.88 O ATOM 701 NE2 GLN A 45 -10.549 12.286 3.875 1.00 1.94 N ATOM 0 H GLN A 45 -11.015 8.645 1.467 1.00 0.66 H new ATOM 0 HA GLN A 45 -8.252 9.082 0.725 1.00 0.65 H new ATOM 0 HB2 GLN A 45 -9.730 8.769 3.368 1.00 0.74 H new ATOM 0 HB3 GLN A 45 -7.992 8.972 3.279 1.00 0.74 H new ATOM 0 HG2 GLN A 45 -8.354 11.176 3.383 1.00 1.07 H new ATOM 0 HG3 GLN A 45 -8.927 11.076 1.729 1.00 1.07 H new ATOM 0 HE21 GLN A 45 -9.700 12.821 4.055 1.00 1.94 H new ATOM 0 HE22 GLN A 45 -11.448 12.624 4.219 1.00 1.94 H new ATOM 710 N ASP A 46 -9.170 6.159 0.989 1.00 0.49 N ATOM 711 CA ASP A 46 -8.821 4.745 1.088 1.00 0.42 C ATOM 712 C ASP A 46 -7.430 4.458 0.544 1.00 0.41 C ATOM 713 O ASP A 46 -6.533 4.095 1.297 1.00 0.46 O ATOM 714 CB ASP A 46 -9.844 3.881 0.355 1.00 0.38 C ATOM 715 CG ASP A 46 -9.429 2.427 0.307 1.00 0.31 C ATOM 716 OD1 ASP A 46 -9.384 1.789 1.380 1.00 0.32 O ATOM 717 OD2 ASP A 46 -9.139 1.923 -0.805 1.00 0.31 O ATOM 0 H ASP A 46 -10.022 6.344 0.459 1.00 0.49 H new ATOM 0 HA ASP A 46 -8.827 4.494 2.149 1.00 0.42 H new ATOM 0 HB2 ASP A 46 -10.811 3.966 0.851 1.00 0.38 H new ATOM 0 HB3 ASP A 46 -9.973 4.255 -0.661 1.00 0.38 H new ATOM 722 N LEU A 47 -7.251 4.649 -0.761 1.00 0.46 N ATOM 723 CA LEU A 47 -5.971 4.385 -1.420 1.00 0.54 C ATOM 724 C LEU A 47 -4.814 5.093 -0.715 1.00 0.56 C ATOM 725 O LEU A 47 -3.692 4.587 -0.680 1.00 0.65 O ATOM 726 CB LEU A 47 -6.027 4.795 -2.900 1.00 0.66 C ATOM 727 CG LEU A 47 -5.913 6.297 -3.185 1.00 0.88 C ATOM 728 CD1 LEU A 47 -5.442 6.526 -4.608 1.00 1.41 C ATOM 729 CD2 LEU A 47 -7.246 6.994 -2.958 1.00 1.00 C ATOM 0 H LEU A 47 -7.981 4.988 -1.388 1.00 0.46 H new ATOM 0 HA LEU A 47 -5.789 3.312 -1.359 1.00 0.54 H new ATOM 0 HB2 LEU A 47 -5.224 4.283 -3.429 1.00 0.66 H new ATOM 0 HB3 LEU A 47 -6.966 4.436 -3.321 1.00 0.66 H new ATOM 0 HG LEU A 47 -5.182 6.720 -2.496 1.00 0.88 H new ATOM 0 HD11 LEU A 47 -5.365 7.597 -4.798 1.00 1.41 H new ATOM 0 HD12 LEU A 47 -4.466 6.062 -4.747 1.00 1.41 H new ATOM 0 HD13 LEU A 47 -6.156 6.085 -5.303 1.00 1.41 H new ATOM 0 HD21 LEU A 47 -7.140 8.059 -3.166 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -7.998 6.567 -3.622 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -7.557 6.856 -1.922 1.00 1.00 H new ATOM 741 N ALA A 48 -5.099 6.253 -0.142 1.00 0.58 N ATOM 742 CA ALA A 48 -4.092 7.020 0.564 1.00 0.69 C ATOM 743 C ALA A 48 -3.748 6.358 1.894 1.00 0.67 C ATOM 744 O ALA A 48 -2.580 6.117 2.195 1.00 0.76 O ATOM 745 CB ALA A 48 -4.581 8.443 0.783 1.00 0.83 C ATOM 0 H ALA A 48 -6.024 6.682 -0.154 1.00 0.58 H new ATOM 0 HA ALA A 48 -3.186 7.051 -0.042 1.00 0.69 H new ATOM 0 HB1 ALA A 48 -3.818 9.012 1.314 1.00 0.83 H new ATOM 0 HB2 ALA A 48 -4.779 8.912 -0.181 1.00 0.83 H new ATOM 0 HB3 ALA A 48 -5.497 8.426 1.373 1.00 0.83 H new ATOM 751 N GLN A 49 -4.775 6.044 2.670 1.00 0.60 N ATOM 752 CA GLN A 49 -4.601 5.416 3.974 1.00 0.62 C ATOM 753 C GLN A 49 -3.988 4.024 3.837 1.00 0.59 C ATOM 754 O GLN A 49 -3.153 3.631 4.645 1.00 0.66 O ATOM 755 CB GLN A 49 -5.951 5.337 4.697 1.00 0.62 C ATOM 756 CG GLN A 49 -5.892 4.699 6.079 1.00 0.95 C ATOM 757 CD GLN A 49 -5.659 5.703 7.198 1.00 1.27 C ATOM 758 OE1 GLN A 49 -4.803 6.687 6.961 1.00 1.86 O flip ATOM 759 NE2 GLN A 49 -6.235 5.581 8.280 1.00 1.43 N flip ATOM 0 H GLN A 49 -5.748 6.216 2.416 1.00 0.60 H new ATOM 0 HA GLN A 49 -3.915 6.026 4.562 1.00 0.62 H new ATOM 0 HB2 GLN A 49 -6.357 6.344 4.793 1.00 0.62 H new ATOM 0 HB3 GLN A 49 -6.647 4.770 4.079 1.00 0.62 H new ATOM 0 HG2 GLN A 49 -6.825 4.168 6.266 1.00 0.95 H new ATOM 0 HG3 GLN A 49 -5.094 3.957 6.095 1.00 0.95 H new ATOM 0 HE21 GLN A 49 -6.888 4.811 8.426 1.00 1.43 H new ATOM 0 HE22 GLN A 49 -6.059 6.250 9.030 1.00 1.43 H new ATOM 768 N LEU A 50 -4.395 3.297 2.801 1.00 0.52 N ATOM 769 CA LEU A 50 -3.895 1.945 2.550 1.00 0.53 C ATOM 770 C LEU A 50 -2.373 1.899 2.502 1.00 0.65 C ATOM 771 O LEU A 50 -1.741 1.119 3.212 1.00 0.72 O ATOM 772 CB LEU A 50 -4.444 1.404 1.228 1.00 0.46 C ATOM 773 CG LEU A 50 -5.965 1.275 1.144 1.00 0.36 C ATOM 774 CD1 LEU A 50 -6.364 0.575 -0.141 1.00 0.35 C ATOM 775 CD2 LEU A 50 -6.512 0.532 2.351 1.00 0.40 C ATOM 0 H LEU A 50 -5.076 3.623 2.115 1.00 0.52 H new ATOM 0 HA LEU A 50 -4.237 1.326 3.379 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -4.108 2.057 0.422 1.00 0.46 H new ATOM 0 HB3 LEU A 50 -4.004 0.423 1.048 1.00 0.46 H new ATOM 0 HG LEU A 50 -6.395 2.277 1.141 1.00 0.36 H new ATOM 0 HD11 LEU A 50 -7.450 0.490 -0.187 1.00 0.35 H new ATOM 0 HD12 LEU A 50 -6.008 1.152 -0.995 1.00 0.35 H new ATOM 0 HD13 LEU A 50 -5.921 -0.421 -0.166 1.00 0.35 H new ATOM 0 HD21 LEU A 50 -7.596 0.453 2.269 1.00 0.40 H new ATOM 0 HD22 LEU A 50 -6.077 -0.467 2.391 1.00 0.40 H new ATOM 0 HD23 LEU A 50 -6.256 1.076 3.260 1.00 0.40 H new ATOM 787 N VAL A 51 -1.784 2.741 1.667 1.00 0.70 N ATOM 788 CA VAL A 51 -0.340 2.766 1.526 1.00 0.84 C ATOM 789 C VAL A 51 0.331 3.486 2.693 1.00 0.90 C ATOM 790 O VAL A 51 1.443 3.130 3.093 1.00 1.01 O ATOM 791 CB VAL A 51 0.088 3.413 0.190 1.00 0.90 C ATOM 792 CG1 VAL A 51 -0.125 4.923 0.198 1.00 1.56 C ATOM 793 CG2 VAL A 51 1.533 3.074 -0.128 1.00 1.37 C ATOM 0 H VAL A 51 -2.282 3.411 1.081 1.00 0.70 H new ATOM 0 HA VAL A 51 -0.009 1.728 1.530 1.00 0.84 H new ATOM 0 HB VAL A 51 -0.547 3.000 -0.594 1.00 0.90 H new ATOM 0 HG11 VAL A 51 0.188 5.340 -0.759 1.00 1.56 H new ATOM 0 HG12 VAL A 51 -1.181 5.141 0.361 1.00 1.56 H new ATOM 0 HG13 VAL A 51 0.465 5.369 0.998 1.00 1.56 H new ATOM 0 HG21 VAL A 51 1.816 3.538 -1.073 1.00 1.37 H new ATOM 0 HG22 VAL A 51 2.178 3.447 0.668 1.00 1.37 H new ATOM 0 HG23 VAL A 51 1.644 1.993 -0.208 1.00 1.37 H new ATOM 803 N GLU A 52 -0.351 4.478 3.250 1.00 0.86 N ATOM 804 CA GLU A 52 0.195 5.248 4.356 1.00 0.93 C ATOM 805 C GLU A 52 0.271 4.417 5.631 1.00 0.95 C ATOM 806 O GLU A 52 1.350 4.243 6.198 1.00 1.07 O ATOM 807 CB GLU A 52 -0.648 6.502 4.605 1.00 0.91 C ATOM 808 CG GLU A 52 -0.073 7.413 5.677 1.00 1.13 C ATOM 809 CD GLU A 52 -1.013 8.532 6.066 1.00 1.17 C ATOM 810 OE1 GLU A 52 -2.087 8.237 6.628 1.00 1.37 O ATOM 811 OE2 GLU A 52 -0.667 9.713 5.839 1.00 1.40 O ATOM 0 H GLU A 52 -1.283 4.767 2.953 1.00 0.86 H new ATOM 0 HA GLU A 52 1.207 5.544 4.080 1.00 0.93 H new ATOM 0 HB2 GLU A 52 -0.738 7.061 3.674 1.00 0.91 H new ATOM 0 HB3 GLU A 52 -1.655 6.202 4.895 1.00 0.91 H new ATOM 0 HG2 GLU A 52 0.164 6.821 6.561 1.00 1.13 H new ATOM 0 HG3 GLU A 52 0.864 7.840 5.319 1.00 1.13 H new ATOM 818 N GLU A 53 -0.867 3.870 6.045 1.00 0.86 N ATOM 819 CA GLU A 53 -0.954 3.086 7.271 1.00 0.89 C ATOM 820 C GLU A 53 -0.247 1.739 7.149 1.00 0.93 C ATOM 821 O GLU A 53 -0.115 1.010 8.132 1.00 1.01 O ATOM 822 CB GLU A 53 -2.418 2.870 7.655 1.00 0.85 C ATOM 823 CG GLU A 53 -2.648 2.822 9.154 1.00 1.33 C ATOM 824 CD GLU A 53 -2.468 4.170 9.826 1.00 1.45 C ATOM 825 OE1 GLU A 53 -1.420 4.816 9.623 1.00 1.99 O ATOM 826 OE2 GLU A 53 -3.376 4.586 10.573 1.00 1.81 O ATOM 0 H GLU A 53 -1.751 3.957 5.543 1.00 0.86 H new ATOM 0 HA GLU A 53 -0.447 3.653 8.052 1.00 0.89 H new ATOM 0 HB2 GLU A 53 -3.020 3.672 7.228 1.00 0.85 H new ATOM 0 HB3 GLU A 53 -2.768 1.938 7.211 1.00 0.85 H new ATOM 0 HG2 GLU A 53 -3.656 2.457 9.350 1.00 1.33 H new ATOM 0 HG3 GLU A 53 -1.957 2.106 9.599 1.00 1.33 H new ATOM 833 N ALA A 54 0.201 1.404 5.944 1.00 0.93 N ATOM 834 CA ALA A 54 0.905 0.148 5.716 1.00 1.00 C ATOM 835 C ALA A 54 2.290 0.179 6.356 1.00 1.15 C ATOM 836 O ALA A 54 2.983 -0.835 6.414 1.00 1.28 O ATOM 837 CB ALA A 54 1.019 -0.133 4.226 1.00 1.06 C ATOM 0 H ALA A 54 0.089 1.983 5.112 1.00 0.93 H new ATOM 0 HA ALA A 54 0.331 -0.653 6.181 1.00 1.00 H new ATOM 0 HB1 ALA A 54 1.547 -1.074 4.073 1.00 1.06 H new ATOM 0 HB2 ALA A 54 0.022 -0.201 3.791 1.00 1.06 H new ATOM 0 HB3 ALA A 54 1.570 0.675 3.745 1.00 1.06 H new ATOM 843 N THR A 55 2.685 1.357 6.828 1.00 1.21 N ATOM 844 CA THR A 55 3.980 1.539 7.471 1.00 1.38 C ATOM 845 C THR A 55 3.953 2.719 8.439 1.00 1.40 C ATOM 846 O THR A 55 4.571 2.683 9.496 1.00 1.55 O ATOM 847 CB THR A 55 5.101 1.782 6.435 1.00 1.60 C ATOM 848 OG1 THR A 55 4.556 2.365 5.236 1.00 1.81 O ATOM 849 CG2 THR A 55 5.827 0.490 6.100 1.00 1.77 C ATOM 0 H THR A 55 2.121 2.205 6.776 1.00 1.21 H new ATOM 0 HA THR A 55 4.187 0.618 8.017 1.00 1.38 H new ATOM 0 HB THR A 55 5.819 2.474 6.874 1.00 1.60 H new ATOM 0 HG1 THR A 55 5.284 2.574 4.614 1.00 1.81 H new ATOM 0 HG21 THR A 55 6.610 0.692 5.369 1.00 1.77 H new ATOM 0 HG22 THR A 55 6.273 0.078 7.005 1.00 1.77 H new ATOM 0 HG23 THR A 55 5.119 -0.228 5.685 1.00 1.77 H new ATOM 857 N GLY A 56 3.209 3.756 8.079 1.00 1.30 N ATOM 858 CA GLY A 56 3.141 4.946 8.906 1.00 1.34 C ATOM 859 C GLY A 56 4.036 6.028 8.348 1.00 1.42 C ATOM 860 O GLY A 56 4.777 6.685 9.078 1.00 1.55 O ATOM 0 H GLY A 56 2.650 3.795 7.227 1.00 1.30 H new ATOM 0 HA2 GLY A 56 2.113 5.305 8.954 1.00 1.34 H new ATOM 0 HA3 GLY A 56 3.443 4.706 9.925 1.00 1.34 H new ATOM 864 N VAL A 57 3.971 6.198 7.033 1.00 1.37 N ATOM 865 CA VAL A 57 4.786 7.180 6.331 1.00 1.46 C ATOM 866 C VAL A 57 3.888 8.154 5.573 1.00 1.37 C ATOM 867 O VAL A 57 2.918 7.728 4.947 1.00 1.26 O ATOM 868 CB VAL A 57 5.751 6.485 5.334 1.00 1.55 C ATOM 869 CG1 VAL A 57 6.805 7.454 4.820 1.00 1.70 C ATOM 870 CG2 VAL A 57 6.409 5.273 5.978 1.00 1.63 C ATOM 0 H VAL A 57 3.353 5.660 6.425 1.00 1.37 H new ATOM 0 HA VAL A 57 5.377 7.723 7.069 1.00 1.46 H new ATOM 0 HB VAL A 57 5.161 6.147 4.482 1.00 1.55 H new ATOM 0 HG11 VAL A 57 7.466 6.937 4.124 1.00 1.70 H new ATOM 0 HG12 VAL A 57 6.318 8.284 4.309 1.00 1.70 H new ATOM 0 HG13 VAL A 57 7.388 7.836 5.658 1.00 1.70 H new ATOM 0 HG21 VAL A 57 7.081 4.801 5.262 1.00 1.63 H new ATOM 0 HG22 VAL A 57 6.976 5.589 6.854 1.00 1.63 H new ATOM 0 HG23 VAL A 57 5.642 4.560 6.280 1.00 1.63 H new ATOM 880 N PRO A 58 4.179 9.466 5.640 1.00 1.45 N ATOM 881 CA PRO A 58 3.393 10.500 4.953 1.00 1.41 C ATOM 882 C PRO A 58 3.194 10.209 3.462 1.00 1.35 C ATOM 883 O PRO A 58 4.053 9.611 2.808 1.00 1.39 O ATOM 884 CB PRO A 58 4.219 11.785 5.142 1.00 1.56 C ATOM 885 CG PRO A 58 5.540 11.342 5.677 1.00 1.67 C ATOM 886 CD PRO A 58 5.285 10.057 6.407 1.00 1.63 C ATOM 0 HA PRO A 58 2.385 10.563 5.363 1.00 1.41 H new ATOM 0 HB2 PRO A 58 4.337 12.316 4.198 1.00 1.56 H new ATOM 0 HB3 PRO A 58 3.726 12.469 5.833 1.00 1.56 H new ATOM 0 HG2 PRO A 58 6.258 11.196 4.870 1.00 1.67 H new ATOM 0 HG3 PRO A 58 5.961 12.093 6.346 1.00 1.67 H new ATOM 0 HD2 PRO A 58 6.164 9.413 6.412 1.00 1.63 H new ATOM 0 HD3 PRO A 58 5.010 10.230 7.447 1.00 1.63 H new ATOM 894 N LEU A 59 2.057 10.653 2.935 1.00 1.29 N ATOM 895 CA LEU A 59 1.704 10.446 1.531 1.00 1.26 C ATOM 896 C LEU A 59 2.747 11.011 0.553 1.00 1.34 C ATOM 897 O LEU A 59 3.146 10.309 -0.371 1.00 1.35 O ATOM 898 CB LEU A 59 0.327 11.049 1.230 1.00 1.25 C ATOM 899 CG LEU A 59 -0.850 10.362 1.919 1.00 1.25 C ATOM 900 CD1 LEU A 59 -2.142 11.116 1.634 1.00 1.27 C ATOM 901 CD2 LEU A 59 -0.958 8.919 1.455 1.00 1.54 C ATOM 0 H LEU A 59 1.354 11.166 3.467 1.00 1.29 H new ATOM 0 HA LEU A 59 1.678 9.367 1.378 1.00 1.26 H new ATOM 0 HB2 LEU A 59 0.336 12.099 1.523 1.00 1.25 H new ATOM 0 HB3 LEU A 59 0.163 11.020 0.153 1.00 1.25 H new ATOM 0 HG LEU A 59 -0.680 10.367 2.996 1.00 1.25 H new ATOM 0 HD11 LEU A 59 -2.973 10.615 2.131 1.00 1.27 H new ATOM 0 HD12 LEU A 59 -2.058 12.137 2.007 1.00 1.27 H new ATOM 0 HD13 LEU A 59 -2.322 11.137 0.559 1.00 1.27 H new ATOM 0 HD21 LEU A 59 -1.801 8.439 1.953 1.00 1.54 H new ATOM 0 HD22 LEU A 59 -1.112 8.894 0.376 1.00 1.54 H new ATOM 0 HD23 LEU A 59 -0.039 8.387 1.703 1.00 1.54 H new ATOM 913 N PRO A 60 3.213 12.277 0.717 1.00 1.42 N ATOM 914 CA PRO A 60 4.205 12.873 -0.200 1.00 1.52 C ATOM 915 C PRO A 60 5.524 12.094 -0.285 1.00 1.60 C ATOM 916 O PRO A 60 6.391 12.424 -1.097 1.00 1.79 O ATOM 917 CB PRO A 60 4.458 14.260 0.391 1.00 1.61 C ATOM 918 CG PRO A 60 3.245 14.558 1.195 1.00 1.56 C ATOM 919 CD PRO A 60 2.809 13.242 1.762 1.00 1.46 C ATOM 0 HA PRO A 60 3.826 12.877 -1.222 1.00 1.52 H new ATOM 0 HB2 PRO A 60 5.355 14.268 1.010 1.00 1.61 H new ATOM 0 HB3 PRO A 60 4.605 15.003 -0.393 1.00 1.61 H new ATOM 0 HG2 PRO A 60 3.465 15.273 1.987 1.00 1.56 H new ATOM 0 HG3 PRO A 60 2.462 14.998 0.577 1.00 1.56 H new ATOM 0 HD2 PRO A 60 3.296 13.032 2.714 1.00 1.46 H new ATOM 0 HD3 PRO A 60 1.734 13.216 1.941 1.00 1.46 H new ATOM 927 N PHE A 61 5.679 11.072 0.546 1.00 1.55 N ATOM 928 CA PHE A 61 6.892 10.265 0.548 1.00 1.63 C ATOM 929 C PHE A 61 6.747 9.061 -0.383 1.00 1.59 C ATOM 930 O PHE A 61 7.726 8.584 -0.962 1.00 1.70 O ATOM 931 CB PHE A 61 7.203 9.786 1.970 1.00 1.66 C ATOM 932 CG PHE A 61 8.672 9.721 2.290 1.00 1.80 C ATOM 933 CD1 PHE A 61 9.514 8.869 1.593 1.00 2.00 C ATOM 934 CD2 PHE A 61 9.208 10.515 3.290 1.00 1.95 C ATOM 935 CE1 PHE A 61 10.862 8.812 1.886 1.00 2.25 C ATOM 936 CE2 PHE A 61 10.556 10.460 3.589 1.00 2.23 C ATOM 937 CZ PHE A 61 11.384 9.609 2.886 1.00 2.34 C ATOM 0 H PHE A 61 4.979 10.782 1.228 1.00 1.55 H new ATOM 0 HA PHE A 61 7.713 10.884 0.188 1.00 1.63 H new ATOM 0 HB2 PHE A 61 6.717 10.454 2.681 1.00 1.66 H new ATOM 0 HB3 PHE A 61 6.767 8.797 2.112 1.00 1.66 H new ATOM 0 HD1 PHE A 61 9.111 8.242 0.811 1.00 2.00 H new ATOM 0 HD2 PHE A 61 8.565 11.185 3.842 1.00 1.95 H new ATOM 0 HE1 PHE A 61 11.508 8.145 1.334 1.00 2.25 H new ATOM 0 HE2 PHE A 61 10.961 11.083 4.373 1.00 2.23 H new ATOM 0 HZ PHE A 61 12.438 9.566 3.117 1.00 2.34 H new ATOM 947 N GLN A 62 5.520 8.590 -0.550 1.00 1.47 N ATOM 948 CA GLN A 62 5.262 7.429 -1.390 1.00 1.44 C ATOM 949 C GLN A 62 4.212 7.736 -2.458 1.00 1.40 C ATOM 950 O GLN A 62 3.051 8.000 -2.153 1.00 1.55 O ATOM 951 CB GLN A 62 4.824 6.245 -0.519 1.00 1.38 C ATOM 952 CG GLN A 62 3.719 6.577 0.469 1.00 1.35 C ATOM 953 CD GLN A 62 3.643 5.596 1.621 1.00 1.64 C ATOM 954 OE1 GLN A 62 4.018 4.427 1.497 1.00 2.14 O ATOM 955 NE2 GLN A 62 3.158 6.065 2.754 1.00 1.66 N ATOM 0 H GLN A 62 4.689 8.992 -0.116 1.00 1.47 H new ATOM 0 HA GLN A 62 6.185 7.167 -1.908 1.00 1.44 H new ATOM 0 HB2 GLN A 62 4.486 5.436 -1.167 1.00 1.38 H new ATOM 0 HB3 GLN A 62 5.688 5.873 0.031 1.00 1.38 H new ATOM 0 HG2 GLN A 62 3.880 7.580 0.863 1.00 1.35 H new ATOM 0 HG3 GLN A 62 2.763 6.590 -0.054 1.00 1.35 H new ATOM 0 HE21 GLN A 62 2.858 7.038 2.817 1.00 1.66 H new ATOM 0 HE22 GLN A 62 3.082 5.455 3.568 1.00 1.66 H new ATOM 964 N LYS A 63 4.631 7.698 -3.717 1.00 1.42 N ATOM 965 CA LYS A 63 3.733 7.976 -4.831 1.00 1.38 C ATOM 966 C LYS A 63 2.824 6.785 -5.122 1.00 1.27 C ATOM 967 O LYS A 63 3.203 5.869 -5.855 1.00 1.31 O ATOM 968 CB LYS A 63 4.528 8.334 -6.087 1.00 1.51 C ATOM 969 CG LYS A 63 5.178 9.705 -6.036 1.00 1.64 C ATOM 970 CD LYS A 63 6.081 9.934 -7.238 1.00 1.73 C ATOM 971 CE LYS A 63 6.769 11.288 -7.177 1.00 1.94 C ATOM 972 NZ LYS A 63 7.837 11.330 -6.144 1.00 2.29 N ATOM 0 H LYS A 63 5.588 7.477 -3.992 1.00 1.42 H new ATOM 0 HA LYS A 63 3.111 8.824 -4.546 1.00 1.38 H new ATOM 0 HB2 LYS A 63 5.302 7.582 -6.242 1.00 1.51 H new ATOM 0 HB3 LYS A 63 3.864 8.290 -6.950 1.00 1.51 H new ATOM 0 HG2 LYS A 63 4.407 10.475 -6.006 1.00 1.64 H new ATOM 0 HG3 LYS A 63 5.759 9.800 -5.119 1.00 1.64 H new ATOM 0 HD2 LYS A 63 6.833 9.146 -7.283 1.00 1.73 H new ATOM 0 HD3 LYS A 63 5.493 9.866 -8.153 1.00 1.73 H new ATOM 0 HE2 LYS A 63 7.199 11.519 -8.151 1.00 1.94 H new ATOM 0 HE3 LYS A 63 6.030 12.060 -6.964 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 8.323 12.249 -6.184 1.00 2.29 H new ATOM 0 HZ2 LYS A 63 7.414 11.203 -5.202 1.00 2.29 H new ATOM 0 HZ3 LYS A 63 8.522 10.568 -6.322 1.00 2.29 H new ATOM 986 N LEU A 64 1.638 6.794 -4.528 1.00 1.16 N ATOM 987 CA LEU A 64 0.664 5.729 -4.733 1.00 1.06 C ATOM 988 C LEU A 64 0.019 5.868 -6.109 1.00 1.05 C ATOM 989 O LEU A 64 -0.638 6.868 -6.397 1.00 1.06 O ATOM 990 CB LEU A 64 -0.410 5.781 -3.637 1.00 0.98 C ATOM 991 CG LEU A 64 -1.173 4.474 -3.373 1.00 0.91 C ATOM 992 CD1 LEU A 64 -2.219 4.219 -4.447 1.00 0.99 C ATOM 993 CD2 LEU A 64 -0.210 3.303 -3.284 1.00 1.06 C ATOM 0 H LEU A 64 1.326 7.532 -3.897 1.00 1.16 H new ATOM 0 HA LEU A 64 1.174 4.767 -4.680 1.00 1.06 H new ATOM 0 HB2 LEU A 64 0.064 6.095 -2.707 1.00 0.98 H new ATOM 0 HB3 LEU A 64 -1.133 6.552 -3.902 1.00 0.98 H new ATOM 0 HG LEU A 64 -1.689 4.576 -2.418 1.00 0.91 H new ATOM 0 HD11 LEU A 64 -2.742 3.287 -4.232 1.00 0.99 H new ATOM 0 HD12 LEU A 64 -2.934 5.041 -4.461 1.00 0.99 H new ATOM 0 HD13 LEU A 64 -1.732 4.146 -5.419 1.00 0.99 H new ATOM 0 HD21 LEU A 64 -0.769 2.386 -3.097 1.00 1.06 H new ATOM 0 HD22 LEU A 64 0.337 3.210 -4.222 1.00 1.06 H new ATOM 0 HD23 LEU A 64 0.494 3.472 -2.469 1.00 1.06 H new ATOM 1005 N ILE A 65 0.214 4.866 -6.957 1.00 1.07 N ATOM 1006 CA ILE A 65 -0.351 4.885 -8.298 1.00 1.08 C ATOM 1007 C ILE A 65 -1.017 3.551 -8.627 1.00 1.05 C ATOM 1008 O ILE A 65 -0.377 2.629 -9.138 1.00 1.15 O ATOM 1009 CB ILE A 65 0.718 5.204 -9.369 1.00 1.22 C ATOM 1010 CG1 ILE A 65 1.487 6.481 -9.001 1.00 1.27 C ATOM 1011 CG2 ILE A 65 0.070 5.352 -10.738 1.00 1.42 C ATOM 1012 CD1 ILE A 65 2.613 6.818 -9.958 1.00 1.42 C ATOM 0 H ILE A 65 0.759 4.031 -6.739 1.00 1.07 H new ATOM 0 HA ILE A 65 -1.100 5.677 -8.314 1.00 1.08 H new ATOM 0 HB ILE A 65 1.425 4.375 -9.406 1.00 1.22 H new ATOM 0 HG12 ILE A 65 0.789 7.317 -8.969 1.00 1.27 H new ATOM 0 HG13 ILE A 65 1.898 6.370 -7.997 1.00 1.27 H new ATOM 0 HG21 ILE A 65 0.836 5.576 -11.481 1.00 1.42 H new ATOM 0 HG22 ILE A 65 -0.433 4.423 -11.005 1.00 1.42 H new ATOM 0 HG23 ILE A 65 -0.657 6.163 -10.710 1.00 1.42 H new ATOM 0 HD11 ILE A 65 3.108 7.732 -9.630 1.00 1.42 H new ATOM 0 HD12 ILE A 65 3.334 6.001 -9.973 1.00 1.42 H new ATOM 0 HD13 ILE A 65 2.208 6.963 -10.960 1.00 1.42 H new ATOM 1024 N PHE A 66 -2.296 3.448 -8.302 1.00 0.93 N ATOM 1025 CA PHE A 66 -3.072 2.248 -8.571 1.00 0.91 C ATOM 1026 C PHE A 66 -4.556 2.547 -8.391 1.00 0.84 C ATOM 1027 O PHE A 66 -4.917 3.659 -8.000 1.00 0.81 O ATOM 1028 CB PHE A 66 -2.653 1.095 -7.655 1.00 0.89 C ATOM 1029 CG PHE A 66 -2.424 -0.198 -8.394 1.00 0.97 C ATOM 1030 CD1 PHE A 66 -1.185 -0.486 -8.940 1.00 1.20 C ATOM 1031 CD2 PHE A 66 -3.448 -1.118 -8.545 1.00 1.24 C ATOM 1032 CE1 PHE A 66 -0.968 -1.669 -9.622 1.00 1.28 C ATOM 1033 CE2 PHE A 66 -3.239 -2.302 -9.228 1.00 1.32 C ATOM 1034 CZ PHE A 66 -1.997 -2.577 -9.767 1.00 1.16 C ATOM 0 H PHE A 66 -2.824 4.192 -7.846 1.00 0.93 H new ATOM 0 HA PHE A 66 -2.882 1.942 -9.600 1.00 0.91 H new ATOM 0 HB2 PHE A 66 -1.740 1.372 -7.128 1.00 0.89 H new ATOM 0 HB3 PHE A 66 -3.423 0.942 -6.899 1.00 0.89 H new ATOM 0 HD1 PHE A 66 -0.377 0.223 -8.832 1.00 1.20 H new ATOM 0 HD2 PHE A 66 -4.421 -0.908 -8.125 1.00 1.24 H new ATOM 0 HE1 PHE A 66 0.005 -1.882 -10.040 1.00 1.28 H new ATOM 0 HE2 PHE A 66 -4.046 -3.011 -9.340 1.00 1.32 H new ATOM 0 HZ PHE A 66 -1.832 -3.501 -10.301 1.00 1.16 H new ATOM 1044 N LYS A 67 -5.403 1.557 -8.686 1.00 0.87 N ATOM 1045 CA LYS A 67 -6.859 1.704 -8.576 1.00 0.89 C ATOM 1046 C LYS A 67 -7.366 2.741 -9.575 1.00 0.84 C ATOM 1047 O LYS A 67 -8.488 3.232 -9.459 1.00 0.84 O ATOM 1048 CB LYS A 67 -7.281 2.112 -7.153 1.00 1.00 C ATOM 1049 CG LYS A 67 -7.056 1.043 -6.088 1.00 0.69 C ATOM 1050 CD LYS A 67 -7.714 1.432 -4.769 1.00 0.72 C ATOM 1051 CE LYS A 67 -7.511 0.366 -3.702 1.00 0.72 C ATOM 1052 NZ LYS A 67 -8.680 0.259 -2.782 1.00 0.54 N ATOM 0 H LYS A 67 -5.103 0.636 -9.006 1.00 0.87 H new ATOM 0 HA LYS A 67 -7.302 0.734 -8.800 1.00 0.89 H new ATOM 0 HB2 LYS A 67 -6.731 3.009 -6.869 1.00 1.00 H new ATOM 0 HB3 LYS A 67 -8.338 2.377 -7.164 1.00 1.00 H new ATOM 0 HG2 LYS A 67 -7.461 0.092 -6.433 1.00 0.69 H new ATOM 0 HG3 LYS A 67 -5.987 0.898 -5.935 1.00 0.69 H new ATOM 0 HD2 LYS A 67 -7.300 2.378 -4.421 1.00 0.72 H new ATOM 0 HD3 LYS A 67 -8.781 1.590 -4.927 1.00 0.72 H new ATOM 0 HE2 LYS A 67 -7.339 -0.598 -4.182 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -6.616 0.598 -3.124 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -8.591 -0.602 -2.206 1.00 0.54 H new ATOM 0 HZ2 LYS A 67 -8.708 1.091 -2.158 1.00 0.54 H new ATOM 0 HZ3 LYS A 67 -9.557 0.214 -3.339 1.00 0.54 H new ATOM 1066 N GLY A 68 -6.534 3.055 -10.566 1.00 0.89 N ATOM 1067 CA GLY A 68 -6.893 4.043 -11.562 1.00 0.93 C ATOM 1068 C GLY A 68 -6.937 5.439 -10.977 1.00 0.94 C ATOM 1069 O GLY A 68 -7.619 6.323 -11.496 1.00 1.05 O ATOM 0 H GLY A 68 -5.612 2.638 -10.694 1.00 0.89 H new ATOM 0 HA2 GLY A 68 -6.173 4.014 -12.379 1.00 0.93 H new ATOM 0 HA3 GLY A 68 -7.866 3.795 -11.986 1.00 0.93 H new ATOM 1073 N LYS A 69 -6.208 5.636 -9.887 1.00 0.89 N ATOM 1074 CA LYS A 69 -6.169 6.923 -9.210 1.00 0.93 C ATOM 1075 C LYS A 69 -4.738 7.322 -8.884 1.00 0.96 C ATOM 1076 O LYS A 69 -3.788 6.622 -9.242 1.00 1.05 O ATOM 1077 CB LYS A 69 -6.976 6.859 -7.913 1.00 0.92 C ATOM 1078 CG LYS A 69 -8.364 6.269 -8.074 1.00 1.07 C ATOM 1079 CD LYS A 69 -8.983 5.937 -6.730 1.00 0.93 C ATOM 1080 CE LYS A 69 -10.199 6.803 -6.451 1.00 1.24 C ATOM 1081 NZ LYS A 69 -11.220 6.674 -7.522 1.00 1.50 N ATOM 0 H LYS A 69 -5.633 4.915 -9.451 1.00 0.89 H new ATOM 0 HA LYS A 69 -6.602 7.667 -9.879 1.00 0.93 H new ATOM 0 HB2 LYS A 69 -6.424 6.267 -7.183 1.00 0.92 H new ATOM 0 HB3 LYS A 69 -7.066 7.865 -7.504 1.00 0.92 H new ATOM 0 HG2 LYS A 69 -9.002 6.975 -8.606 1.00 1.07 H new ATOM 0 HG3 LYS A 69 -8.309 5.367 -8.684 1.00 1.07 H new ATOM 0 HD2 LYS A 69 -9.271 4.886 -6.710 1.00 0.93 H new ATOM 0 HD3 LYS A 69 -8.244 6.080 -5.942 1.00 0.93 H new ATOM 0 HE2 LYS A 69 -10.637 6.519 -5.494 1.00 1.24 H new ATOM 0 HE3 LYS A 69 -9.892 7.845 -6.364 1.00 1.24 H new ATOM 0 HZ1 LYS A 69 -12.162 6.873 -7.129 1.00 1.50 H new ATOM 0 HZ2 LYS A 69 -11.012 7.352 -8.283 1.00 1.50 H new ATOM 0 HZ3 LYS A 69 -11.201 5.707 -7.905 1.00 1.50 H new ATOM 1095 N SER A 70 -4.599 8.444 -8.194 1.00 0.95 N ATOM 1096 CA SER A 70 -3.300 8.950 -7.795 1.00 1.00 C ATOM 1097 C SER A 70 -3.312 9.272 -6.305 1.00 0.93 C ATOM 1098 O SER A 70 -4.377 9.471 -5.714 1.00 0.89 O ATOM 1099 CB SER A 70 -2.937 10.193 -8.613 1.00 1.17 C ATOM 1100 OG SER A 70 -1.541 10.438 -8.584 1.00 1.46 O ATOM 0 H SER A 70 -5.382 9.026 -7.897 1.00 0.95 H new ATOM 0 HA SER A 70 -2.545 8.187 -7.985 1.00 1.00 H new ATOM 0 HB2 SER A 70 -3.264 10.061 -9.644 1.00 1.17 H new ATOM 0 HB3 SER A 70 -3.469 11.059 -8.219 1.00 1.17 H new ATOM 0 HG SER A 70 -1.338 11.236 -9.116 1.00 1.46 H new ATOM 1106 N LEU A 71 -2.130 9.306 -5.707 1.00 1.01 N ATOM 1107 CA LEU A 71 -1.979 9.578 -4.283 1.00 0.99 C ATOM 1108 C LEU A 71 -2.540 10.948 -3.890 1.00 1.00 C ATOM 1109 O LEU A 71 -2.006 11.995 -4.270 1.00 1.13 O ATOM 1110 CB LEU A 71 -0.502 9.469 -3.867 1.00 1.11 C ATOM 1111 CG LEU A 71 0.439 10.524 -4.457 1.00 1.24 C ATOM 1112 CD1 LEU A 71 1.585 10.807 -3.501 1.00 1.35 C ATOM 1113 CD2 LEU A 71 0.973 10.082 -5.811 1.00 1.28 C ATOM 0 H LEU A 71 -1.248 9.146 -6.194 1.00 1.01 H new ATOM 0 HA LEU A 71 -2.559 8.824 -3.751 1.00 0.99 H new ATOM 0 HB2 LEU A 71 -0.446 9.527 -2.780 1.00 1.11 H new ATOM 0 HB3 LEU A 71 -0.136 8.483 -4.153 1.00 1.11 H new ATOM 0 HG LEU A 71 -0.130 11.442 -4.601 1.00 1.24 H new ATOM 0 HD11 LEU A 71 2.244 11.559 -3.935 1.00 1.35 H new ATOM 0 HD12 LEU A 71 1.187 11.176 -2.556 1.00 1.35 H new ATOM 0 HD13 LEU A 71 2.147 9.890 -3.325 1.00 1.35 H new ATOM 0 HD21 LEU A 71 1.638 10.849 -6.208 1.00 1.28 H new ATOM 0 HD22 LEU A 71 1.523 9.148 -5.698 1.00 1.28 H new ATOM 0 HD23 LEU A 71 0.141 9.932 -6.499 1.00 1.28 H new ATOM 1125 N LYS A 72 -3.622 10.923 -3.124 1.00 0.95 N ATOM 1126 CA LYS A 72 -4.270 12.133 -2.638 1.00 0.99 C ATOM 1127 C LYS A 72 -5.400 11.758 -1.688 1.00 0.95 C ATOM 1128 O LYS A 72 -5.828 10.604 -1.657 1.00 0.92 O ATOM 1129 CB LYS A 72 -4.808 12.985 -3.796 1.00 1.02 C ATOM 1130 CG LYS A 72 -4.665 14.479 -3.553 1.00 1.22 C ATOM 1131 CD LYS A 72 -5.073 15.295 -4.766 1.00 1.29 C ATOM 1132 CE LYS A 72 -4.888 16.782 -4.507 1.00 1.62 C ATOM 1133 NZ LYS A 72 -5.356 17.611 -5.647 1.00 1.90 N ATOM 0 H LYS A 72 -4.076 10.061 -2.822 1.00 0.95 H new ATOM 0 HA LYS A 72 -3.529 12.730 -2.107 1.00 0.99 H new ATOM 0 HB2 LYS A 72 -4.279 12.719 -4.711 1.00 1.02 H new ATOM 0 HB3 LYS A 72 -5.860 12.748 -3.956 1.00 1.02 H new ATOM 0 HG2 LYS A 72 -5.278 14.768 -2.699 1.00 1.22 H new ATOM 0 HG3 LYS A 72 -3.631 14.707 -3.294 1.00 1.22 H new ATOM 0 HD2 LYS A 72 -4.477 14.995 -5.628 1.00 1.29 H new ATOM 0 HD3 LYS A 72 -6.115 15.092 -5.012 1.00 1.29 H new ATOM 0 HE2 LYS A 72 -5.434 17.063 -3.607 1.00 1.62 H new ATOM 0 HE3 LYS A 72 -3.834 16.988 -4.318 1.00 1.62 H new ATOM 0 HZ1 LYS A 72 -5.211 18.617 -5.427 1.00 1.90 H new ATOM 0 HZ2 LYS A 72 -4.818 17.362 -6.501 1.00 1.90 H new ATOM 0 HZ3 LYS A 72 -6.368 17.435 -5.812 1.00 1.90 H new ATOM 1147 N GLU A 73 -5.857 12.724 -0.904 1.00 1.00 N ATOM 1148 CA GLU A 73 -6.936 12.493 0.049 1.00 1.01 C ATOM 1149 C GLU A 73 -8.251 12.228 -0.679 1.00 0.98 C ATOM 1150 O GLU A 73 -9.008 11.338 -0.305 1.00 1.01 O ATOM 1151 CB GLU A 73 -7.088 13.686 0.996 1.00 1.14 C ATOM 1152 CG GLU A 73 -5.778 14.129 1.630 1.00 1.33 C ATOM 1153 CD GLU A 73 -5.131 15.278 0.888 1.00 1.55 C ATOM 1154 OE1 GLU A 73 -4.781 15.110 -0.299 1.00 1.66 O ATOM 1155 OE2 GLU A 73 -4.976 16.363 1.484 1.00 1.98 O ATOM 0 H GLU A 73 -5.497 13.678 -0.908 1.00 1.00 H new ATOM 0 HA GLU A 73 -6.682 11.612 0.639 1.00 1.01 H new ATOM 0 HB2 GLU A 73 -7.518 14.523 0.446 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -7.794 13.426 1.784 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -5.961 14.425 2.663 1.00 1.33 H new ATOM 0 HG3 GLU A 73 -5.089 13.285 1.658 1.00 1.33 H new ATOM 1162 N MET A 74 -8.519 13.003 -1.716 1.00 1.01 N ATOM 1163 CA MET A 74 -9.735 12.830 -2.496 1.00 1.03 C ATOM 1164 C MET A 74 -9.515 13.301 -3.924 1.00 1.05 C ATOM 1165 O MET A 74 -8.814 14.287 -4.163 1.00 1.16 O ATOM 1166 CB MET A 74 -10.920 13.569 -1.857 1.00 1.15 C ATOM 1167 CG MET A 74 -10.753 15.078 -1.775 1.00 1.26 C ATOM 1168 SD MET A 74 -12.160 15.878 -0.979 1.00 1.65 S ATOM 1169 CE MET A 74 -11.705 17.604 -1.151 1.00 1.77 C ATOM 0 H MET A 74 -7.913 13.757 -2.038 1.00 1.01 H new ATOM 0 HA MET A 74 -9.979 11.768 -2.511 1.00 1.03 H new ATOM 0 HB2 MET A 74 -11.821 13.347 -2.428 1.00 1.15 H new ATOM 0 HB3 MET A 74 -11.076 13.178 -0.851 1.00 1.15 H new ATOM 0 HG2 MET A 74 -9.844 15.311 -1.221 1.00 1.26 H new ATOM 0 HG3 MET A 74 -10.628 15.483 -2.779 1.00 1.26 H new ATOM 0 HE1 MET A 74 -12.478 18.230 -0.706 1.00 1.77 H new ATOM 0 HE2 MET A 74 -10.757 17.783 -0.644 1.00 1.77 H new ATOM 0 HE3 MET A 74 -11.603 17.850 -2.208 1.00 1.77 H new ATOM 1179 N GLU A 75 -10.094 12.580 -4.871 1.00 1.07 N ATOM 1180 CA GLU A 75 -9.958 12.921 -6.278 1.00 1.14 C ATOM 1181 C GLU A 75 -11.121 12.352 -7.092 1.00 1.13 C ATOM 1182 O GLU A 75 -12.149 13.010 -7.265 1.00 1.31 O ATOM 1183 CB GLU A 75 -8.623 12.392 -6.817 1.00 1.16 C ATOM 1184 CG GLU A 75 -8.357 12.751 -8.271 1.00 1.28 C ATOM 1185 CD GLU A 75 -7.538 11.697 -8.982 1.00 1.49 C ATOM 1186 OE1 GLU A 75 -8.030 10.553 -9.122 1.00 1.89 O ATOM 1187 OE2 GLU A 75 -6.396 12.002 -9.388 1.00 1.65 O ATOM 0 H GLU A 75 -10.664 11.753 -4.690 1.00 1.07 H new ATOM 0 HA GLU A 75 -9.977 14.007 -6.374 1.00 1.14 H new ATOM 0 HB2 GLU A 75 -7.813 12.785 -6.202 1.00 1.16 H new ATOM 0 HB3 GLU A 75 -8.605 11.307 -6.712 1.00 1.16 H new ATOM 0 HG2 GLU A 75 -9.306 12.882 -8.790 1.00 1.28 H new ATOM 0 HG3 GLU A 75 -7.834 13.706 -8.317 1.00 1.28 H new ATOM 1194 N THR A 76 -10.967 11.122 -7.562 1.00 1.06 N ATOM 1195 CA THR A 76 -11.987 10.472 -8.367 1.00 1.09 C ATOM 1196 C THR A 76 -13.038 9.792 -7.487 1.00 1.04 C ATOM 1197 O THR A 76 -12.766 9.479 -6.325 1.00 0.98 O ATOM 1198 CB THR A 76 -11.345 9.443 -9.316 1.00 1.13 C ATOM 1199 OG1 THR A 76 -10.132 8.946 -8.736 1.00 1.07 O ATOM 1200 CG2 THR A 76 -11.041 10.063 -10.671 1.00 1.29 C ATOM 0 H THR A 76 -10.138 10.552 -7.397 1.00 1.06 H new ATOM 0 HA THR A 76 -12.486 11.240 -8.959 1.00 1.09 H new ATOM 0 HB THR A 76 -12.051 8.625 -9.462 1.00 1.13 H new ATOM 0 HG1 THR A 76 -9.369 9.447 -9.094 1.00 1.07 H new ATOM 0 HG21 THR A 76 -10.588 9.314 -11.321 1.00 1.29 H new ATOM 0 HG22 THR A 76 -11.966 10.423 -11.122 1.00 1.29 H new ATOM 0 HG23 THR A 76 -10.351 10.897 -10.543 1.00 1.29 H new ATOM 1208 N PRO A 77 -14.246 9.557 -8.043 1.00 1.12 N ATOM 1209 CA PRO A 77 -15.369 8.922 -7.330 1.00 1.14 C ATOM 1210 C PRO A 77 -14.989 7.673 -6.534 1.00 1.01 C ATOM 1211 O PRO A 77 -14.008 6.983 -6.844 1.00 0.94 O ATOM 1212 CB PRO A 77 -16.323 8.546 -8.460 1.00 1.26 C ATOM 1213 CG PRO A 77 -16.087 9.580 -9.502 1.00 1.36 C ATOM 1214 CD PRO A 77 -14.624 9.926 -9.424 1.00 1.24 C ATOM 0 HA PRO A 77 -15.780 9.597 -6.579 1.00 1.14 H new ATOM 0 HB2 PRO A 77 -16.115 7.545 -8.839 1.00 1.26 H new ATOM 0 HB3 PRO A 77 -17.360 8.551 -8.123 1.00 1.26 H new ATOM 0 HG2 PRO A 77 -16.346 9.202 -10.491 1.00 1.36 H new ATOM 0 HG3 PRO A 77 -16.705 10.460 -9.325 1.00 1.36 H new ATOM 0 HD2 PRO A 77 -14.042 9.371 -10.160 1.00 1.24 H new ATOM 0 HD3 PRO A 77 -14.453 10.985 -9.616 1.00 1.24 H new ATOM 1222 N LEU A 78 -15.804 7.374 -5.527 1.00 1.03 N ATOM 1223 CA LEU A 78 -15.591 6.223 -4.656 1.00 0.97 C ATOM 1224 C LEU A 78 -15.888 4.925 -5.394 1.00 0.95 C ATOM 1225 O LEU A 78 -15.381 3.861 -5.040 1.00 0.87 O ATOM 1226 CB LEU A 78 -16.472 6.325 -3.404 1.00 1.07 C ATOM 1227 CG LEU A 78 -16.113 7.454 -2.432 1.00 1.18 C ATOM 1228 CD1 LEU A 78 -16.691 8.783 -2.897 1.00 1.65 C ATOM 1229 CD2 LEU A 78 -16.606 7.126 -1.035 1.00 1.22 C ATOM 0 H LEU A 78 -16.631 7.923 -5.292 1.00 1.03 H new ATOM 0 HA LEU A 78 -14.544 6.220 -4.352 1.00 0.97 H new ATOM 0 HB2 LEU A 78 -17.507 6.457 -3.720 1.00 1.07 H new ATOM 0 HB3 LEU A 78 -16.421 5.378 -2.867 1.00 1.07 H new ATOM 0 HG LEU A 78 -15.027 7.546 -2.410 1.00 1.18 H new ATOM 0 HD11 LEU A 78 -16.420 9.565 -2.188 1.00 1.65 H new ATOM 0 HD12 LEU A 78 -16.291 9.030 -3.880 1.00 1.65 H new ATOM 0 HD13 LEU A 78 -17.777 8.707 -2.956 1.00 1.65 H new ATOM 0 HD21 LEU A 78 -16.343 7.938 -0.357 1.00 1.22 H new ATOM 0 HD22 LEU A 78 -17.689 7.003 -1.051 1.00 1.22 H new ATOM 0 HD23 LEU A 78 -16.141 6.202 -0.693 1.00 1.22 H new ATOM 1241 N SER A 79 -16.701 5.026 -6.436 1.00 1.07 N ATOM 1242 CA SER A 79 -17.069 3.874 -7.245 1.00 1.12 C ATOM 1243 C SER A 79 -15.850 3.334 -7.990 1.00 1.00 C ATOM 1244 O SER A 79 -15.875 2.237 -8.542 1.00 1.04 O ATOM 1245 CB SER A 79 -18.157 4.281 -8.232 1.00 1.31 C ATOM 1246 OG SER A 79 -18.590 5.609 -7.974 1.00 1.68 O ATOM 0 H SER A 79 -17.122 5.903 -6.743 1.00 1.07 H new ATOM 0 HA SER A 79 -17.447 3.084 -6.596 1.00 1.12 H new ATOM 0 HB2 SER A 79 -17.778 4.207 -9.251 1.00 1.31 H new ATOM 0 HB3 SER A 79 -19.001 3.595 -8.155 1.00 1.31 H new ATOM 0 HG SER A 79 -19.287 5.856 -8.617 1.00 1.68 H new ATOM 1252 N ALA A 80 -14.783 4.118 -7.991 1.00 0.93 N ATOM 1253 CA ALA A 80 -13.551 3.735 -8.648 1.00 0.88 C ATOM 1254 C ALA A 80 -12.436 3.581 -7.621 1.00 0.74 C ATOM 1255 O ALA A 80 -11.276 3.863 -7.905 1.00 0.81 O ATOM 1256 CB ALA A 80 -13.170 4.762 -9.701 1.00 1.02 C ATOM 0 H ALA A 80 -14.750 5.031 -7.538 1.00 0.93 H new ATOM 0 HA ALA A 80 -13.701 2.776 -9.145 1.00 0.88 H new ATOM 0 HB1 ALA A 80 -12.242 4.459 -10.185 1.00 1.02 H new ATOM 0 HB2 ALA A 80 -13.963 4.830 -10.446 1.00 1.02 H new ATOM 0 HB3 ALA A 80 -13.032 5.734 -9.228 1.00 1.02 H new ATOM 1262 N LEU A 81 -12.806 3.162 -6.415 1.00 0.66 N ATOM 1263 CA LEU A 81 -11.841 2.958 -5.335 1.00 0.55 C ATOM 1264 C LEU A 81 -11.457 1.486 -5.240 1.00 0.52 C ATOM 1265 O LEU A 81 -10.812 1.061 -4.282 1.00 0.56 O ATOM 1266 CB LEU A 81 -12.427 3.410 -3.990 1.00 0.59 C ATOM 1267 CG LEU A 81 -11.646 4.501 -3.240 1.00 0.59 C ATOM 1268 CD1 LEU A 81 -10.143 4.349 -3.434 1.00 0.49 C ATOM 1269 CD2 LEU A 81 -12.110 5.882 -3.675 1.00 0.75 C ATOM 0 H LEU A 81 -13.771 2.956 -6.158 1.00 0.66 H new ATOM 0 HA LEU A 81 -10.956 3.554 -5.559 1.00 0.55 H new ATOM 0 HB2 LEU A 81 -13.441 3.772 -4.163 1.00 0.59 H new ATOM 0 HB3 LEU A 81 -12.506 2.538 -3.341 1.00 0.59 H new ATOM 0 HG LEU A 81 -11.851 4.384 -2.176 1.00 0.59 H new ATOM 0 HD11 LEU A 81 -9.624 5.138 -2.889 1.00 0.49 H new ATOM 0 HD12 LEU A 81 -9.824 3.377 -3.057 1.00 0.49 H new ATOM 0 HD13 LEU A 81 -9.904 4.423 -4.495 1.00 0.49 H new ATOM 0 HD21 LEU A 81 -11.547 6.642 -3.134 1.00 0.75 H new ATOM 0 HD22 LEU A 81 -11.944 6.001 -4.746 1.00 0.75 H new ATOM 0 HD23 LEU A 81 -13.172 5.994 -3.457 1.00 0.75 H new ATOM 1281 N GLY A 82 -11.851 0.715 -6.241 1.00 0.59 N ATOM 1282 CA GLY A 82 -11.566 -0.706 -6.234 1.00 0.62 C ATOM 1283 C GLY A 82 -12.552 -1.438 -5.353 1.00 0.63 C ATOM 1284 O GLY A 82 -12.204 -1.897 -4.264 1.00 0.64 O ATOM 0 H GLY A 82 -12.363 1.047 -7.059 1.00 0.59 H new ATOM 0 HA2 GLY A 82 -11.616 -1.098 -7.250 1.00 0.62 H new ATOM 0 HA3 GLY A 82 -10.551 -0.878 -5.875 1.00 0.62 H new ATOM 1288 N MET A 83 -13.785 -1.527 -5.827 1.00 0.84 N ATOM 1289 CA MET A 83 -14.868 -2.172 -5.093 1.00 1.01 C ATOM 1290 C MET A 83 -14.733 -3.697 -5.108 1.00 0.98 C ATOM 1291 O MET A 83 -15.623 -4.418 -5.559 1.00 1.26 O ATOM 1292 CB MET A 83 -16.223 -1.736 -5.672 1.00 1.34 C ATOM 1293 CG MET A 83 -16.389 -2.007 -7.164 1.00 1.54 C ATOM 1294 SD MET A 83 -15.413 -0.906 -8.208 1.00 2.03 S ATOM 1295 CE MET A 83 -16.014 -1.377 -9.827 1.00 2.27 C ATOM 0 H MET A 83 -14.066 -1.154 -6.734 1.00 0.84 H new ATOM 0 HA MET A 83 -14.808 -1.856 -4.052 1.00 1.01 H new ATOM 0 HB2 MET A 83 -17.017 -2.250 -5.131 1.00 1.34 H new ATOM 0 HB3 MET A 83 -16.354 -0.669 -5.492 1.00 1.34 H new ATOM 0 HG2 MET A 83 -16.105 -3.039 -7.372 1.00 1.54 H new ATOM 0 HG3 MET A 83 -17.442 -1.907 -7.428 1.00 1.54 H new ATOM 0 HE1 MET A 83 -15.507 -0.785 -10.589 1.00 2.27 H new ATOM 0 HE2 MET A 83 -15.813 -2.435 -9.996 1.00 2.27 H new ATOM 0 HE3 MET A 83 -17.088 -1.198 -9.883 1.00 2.27 H new ATOM 1305 N GLN A 84 -13.614 -4.174 -4.602 1.00 0.89 N ATOM 1306 CA GLN A 84 -13.343 -5.596 -4.524 1.00 0.89 C ATOM 1307 C GLN A 84 -12.753 -5.896 -3.156 1.00 0.84 C ATOM 1308 O GLN A 84 -12.813 -5.048 -2.268 1.00 1.06 O ATOM 1309 CB GLN A 84 -12.401 -6.030 -5.653 1.00 0.92 C ATOM 1310 CG GLN A 84 -11.057 -5.317 -5.659 1.00 0.99 C ATOM 1311 CD GLN A 84 -10.302 -5.503 -6.965 1.00 1.05 C ATOM 1312 OE1 GLN A 84 -9.078 -5.638 -6.977 1.00 1.20 O ATOM 1313 NE2 GLN A 84 -11.019 -5.480 -8.078 1.00 1.38 N ATOM 0 H GLN A 84 -12.866 -3.587 -4.233 1.00 0.89 H new ATOM 0 HA GLN A 84 -14.266 -6.162 -4.648 1.00 0.89 H new ATOM 0 HB2 GLN A 84 -12.229 -7.103 -5.574 1.00 0.92 H new ATOM 0 HB3 GLN A 84 -12.895 -5.856 -6.609 1.00 0.92 H new ATOM 0 HG2 GLN A 84 -11.214 -4.253 -5.483 1.00 0.99 H new ATOM 0 HG3 GLN A 84 -10.448 -5.690 -4.835 1.00 0.99 H new ATOM 0 HE21 GLN A 84 -12.032 -5.366 -8.030 1.00 1.38 H new ATOM 0 HE22 GLN A 84 -10.559 -5.576 -8.983 1.00 1.38 H new ATOM 1322 N ASN A 85 -12.181 -7.076 -2.968 1.00 0.74 N ATOM 1323 CA ASN A 85 -11.604 -7.416 -1.673 1.00 0.78 C ATOM 1324 C ASN A 85 -10.277 -6.703 -1.451 1.00 0.72 C ATOM 1325 O ASN A 85 -9.206 -7.273 -1.671 1.00 0.98 O ATOM 1326 CB ASN A 85 -11.419 -8.928 -1.485 1.00 0.91 C ATOM 1327 CG ASN A 85 -11.325 -9.704 -2.783 1.00 0.91 C ATOM 1328 OD1 ASN A 85 -12.272 -9.750 -3.569 1.00 1.15 O ATOM 1329 ND2 ASN A 85 -10.193 -10.345 -3.003 1.00 1.09 N ATOM 0 H ASN A 85 -12.104 -7.803 -3.680 1.00 0.74 H new ATOM 0 HA ASN A 85 -12.322 -7.075 -0.927 1.00 0.78 H new ATOM 0 HB2 ASN A 85 -10.514 -9.103 -0.903 1.00 0.91 H new ATOM 0 HB3 ASN A 85 -12.254 -9.316 -0.901 1.00 0.91 H new ATOM 0 HD21 ASN A 85 -10.079 -10.904 -3.849 1.00 1.09 H new ATOM 0 HD22 ASN A 85 -9.431 -10.282 -2.327 1.00 1.09 H new ATOM 1336 N GLY A 86 -10.365 -5.437 -1.054 1.00 0.62 N ATOM 1337 CA GLY A 86 -9.185 -4.642 -0.772 1.00 0.57 C ATOM 1338 C GLY A 86 -8.538 -4.062 -2.014 1.00 0.51 C ATOM 1339 O GLY A 86 -8.231 -2.865 -2.053 1.00 0.49 O ATOM 0 H GLY A 86 -11.247 -4.942 -0.921 1.00 0.62 H new ATOM 0 HA2 GLY A 86 -9.457 -3.828 -0.099 1.00 0.57 H new ATOM 0 HA3 GLY A 86 -8.457 -5.260 -0.247 1.00 0.57 H new ATOM 1343 N CYS A 87 -8.347 -4.921 -3.016 1.00 0.59 N ATOM 1344 CA CYS A 87 -7.714 -4.555 -4.284 1.00 0.62 C ATOM 1345 C CYS A 87 -6.196 -4.541 -4.105 1.00 0.65 C ATOM 1346 O CYS A 87 -5.672 -5.195 -3.202 1.00 0.68 O ATOM 1347 CB CYS A 87 -8.227 -3.202 -4.803 1.00 0.62 C ATOM 1348 SG CYS A 87 -7.892 -2.886 -6.552 1.00 0.79 S ATOM 0 H CYS A 87 -8.630 -5.900 -2.970 1.00 0.59 H new ATOM 0 HA CYS A 87 -7.978 -5.299 -5.036 1.00 0.62 H new ATOM 0 HB2 CYS A 87 -9.303 -3.150 -4.638 1.00 0.62 H new ATOM 0 HB3 CYS A 87 -7.775 -2.406 -4.211 1.00 0.62 H new ATOM 0 HG CYS A 87 -8.231 -3.927 -7.254 1.00 0.79 H new ATOM 1354 N ARG A 88 -5.492 -3.818 -4.959 1.00 0.69 N ATOM 1355 CA ARG A 88 -4.039 -3.740 -4.876 1.00 0.77 C ATOM 1356 C ARG A 88 -3.587 -2.297 -5.003 1.00 0.75 C ATOM 1357 O ARG A 88 -4.268 -1.487 -5.633 1.00 0.72 O ATOM 1358 CB ARG A 88 -3.384 -4.589 -5.970 1.00 0.93 C ATOM 1359 CG ARG A 88 -3.755 -6.061 -5.911 1.00 1.03 C ATOM 1360 CD ARG A 88 -4.759 -6.426 -6.989 1.00 1.11 C ATOM 1361 NE ARG A 88 -4.200 -6.257 -8.328 1.00 1.27 N ATOM 1362 CZ ARG A 88 -4.890 -5.836 -9.384 1.00 1.47 C ATOM 1363 NH1 ARG A 88 -6.176 -5.533 -9.271 1.00 1.55 N ATOM 1364 NH2 ARG A 88 -4.286 -5.717 -10.555 1.00 1.74 N ATOM 0 H ARG A 88 -5.901 -3.275 -5.719 1.00 0.69 H new ATOM 0 HA ARG A 88 -3.731 -4.130 -3.906 1.00 0.77 H new ATOM 0 HB2 ARG A 88 -3.669 -4.191 -6.944 1.00 0.93 H new ATOM 0 HB3 ARG A 88 -2.301 -4.494 -5.891 1.00 0.93 H new ATOM 0 HG2 ARG A 88 -2.857 -6.668 -6.028 1.00 1.03 H new ATOM 0 HG3 ARG A 88 -4.172 -6.293 -4.931 1.00 1.03 H new ATOM 0 HD2 ARG A 88 -5.077 -7.460 -6.855 1.00 1.11 H new ATOM 0 HD3 ARG A 88 -5.648 -5.803 -6.884 1.00 1.11 H new ATOM 0 HE ARG A 88 -3.213 -6.477 -8.462 1.00 1.27 H new ATOM 0 HH11 ARG A 88 -6.644 -5.622 -8.369 1.00 1.55 H new ATOM 0 HH12 ARG A 88 -6.698 -5.211 -10.086 1.00 1.55 H new ATOM 0 HH21 ARG A 88 -3.296 -5.948 -10.644 1.00 1.74 H new ATOM 0 HH22 ARG A 88 -4.810 -5.395 -11.369 1.00 1.74 H new ATOM 1378 N VAL A 89 -2.456 -1.974 -4.391 1.00 0.78 N ATOM 1379 CA VAL A 89 -1.913 -0.626 -4.448 1.00 0.79 C ATOM 1380 C VAL A 89 -0.388 -0.665 -4.492 1.00 0.92 C ATOM 1381 O VAL A 89 0.249 -1.344 -3.685 1.00 0.99 O ATOM 1382 CB VAL A 89 -2.365 0.249 -3.252 1.00 0.70 C ATOM 1383 CG1 VAL A 89 -3.798 0.728 -3.433 1.00 0.61 C ATOM 1384 CG2 VAL A 89 -2.215 -0.501 -1.937 1.00 0.69 C ATOM 0 H VAL A 89 -1.896 -2.631 -3.848 1.00 0.78 H new ATOM 0 HA VAL A 89 -2.303 -0.174 -5.360 1.00 0.79 H new ATOM 0 HB VAL A 89 -1.716 1.124 -3.221 1.00 0.70 H new ATOM 0 HG11 VAL A 89 -4.088 1.340 -2.579 1.00 0.61 H new ATOM 0 HG12 VAL A 89 -3.871 1.321 -4.345 1.00 0.61 H new ATOM 0 HG13 VAL A 89 -4.463 -0.133 -3.505 1.00 0.61 H new ATOM 0 HG21 VAL A 89 -2.540 0.137 -1.115 1.00 0.69 H new ATOM 0 HG22 VAL A 89 -2.828 -1.402 -1.960 1.00 0.69 H new ATOM 0 HG23 VAL A 89 -1.170 -0.776 -1.792 1.00 0.69 H new ATOM 1394 N MET A 90 0.190 0.041 -5.450 1.00 0.97 N ATOM 1395 CA MET A 90 1.636 0.096 -5.584 1.00 1.10 C ATOM 1396 C MET A 90 2.104 1.540 -5.479 1.00 1.14 C ATOM 1397 O MET A 90 1.415 2.457 -5.930 1.00 1.13 O ATOM 1398 CB MET A 90 2.088 -0.524 -6.915 1.00 1.21 C ATOM 1399 CG MET A 90 2.246 0.479 -8.046 1.00 1.49 C ATOM 1400 SD MET A 90 2.750 -0.285 -9.596 1.00 1.66 S ATOM 1401 CE MET A 90 2.881 1.165 -10.638 1.00 2.09 C ATOM 0 H MET A 90 -0.320 0.584 -6.146 1.00 0.97 H new ATOM 0 HA MET A 90 2.085 -0.484 -4.778 1.00 1.10 H new ATOM 0 HB2 MET A 90 3.039 -1.034 -6.761 1.00 1.21 H new ATOM 0 HB3 MET A 90 1.364 -1.282 -7.215 1.00 1.21 H new ATOM 0 HG2 MET A 90 1.302 1.002 -8.195 1.00 1.49 H new ATOM 0 HG3 MET A 90 2.984 1.228 -7.760 1.00 1.49 H new ATOM 0 HE1 MET A 90 3.186 0.866 -11.641 1.00 2.09 H new ATOM 0 HE2 MET A 90 1.914 1.666 -10.687 1.00 2.09 H new ATOM 0 HE3 MET A 90 3.622 1.847 -10.221 1.00 2.09 H new ATOM 1411 N LEU A 91 3.260 1.744 -4.871 1.00 1.21 N ATOM 1412 CA LEU A 91 3.797 3.083 -4.714 1.00 1.27 C ATOM 1413 C LEU A 91 5.227 3.167 -5.213 1.00 1.41 C ATOM 1414 O LEU A 91 6.011 2.224 -5.073 1.00 1.47 O ATOM 1415 CB LEU A 91 3.672 3.586 -3.249 1.00 1.22 C ATOM 1416 CG LEU A 91 4.516 2.900 -2.140 1.00 1.27 C ATOM 1417 CD1 LEU A 91 4.421 1.384 -2.195 1.00 1.25 C ATOM 1418 CD2 LEU A 91 5.971 3.349 -2.181 1.00 1.42 C ATOM 0 H LEU A 91 3.842 1.003 -4.480 1.00 1.21 H new ATOM 0 HA LEU A 91 3.195 3.748 -5.333 1.00 1.27 H new ATOM 0 HB2 LEU A 91 3.922 4.647 -3.243 1.00 1.22 H new ATOM 0 HB3 LEU A 91 2.624 3.504 -2.962 1.00 1.22 H new ATOM 0 HG LEU A 91 4.089 3.219 -1.189 1.00 1.27 H new ATOM 0 HD11 LEU A 91 5.028 0.952 -1.400 1.00 1.25 H new ATOM 0 HD12 LEU A 91 3.383 1.080 -2.064 1.00 1.25 H new ATOM 0 HD13 LEU A 91 4.784 1.031 -3.161 1.00 1.25 H new ATOM 0 HD21 LEU A 91 6.529 2.847 -1.390 1.00 1.42 H new ATOM 0 HD22 LEU A 91 6.403 3.094 -3.148 1.00 1.42 H new ATOM 0 HD23 LEU A 91 6.023 4.428 -2.034 1.00 1.42 H new ATOM 1430 N ILE A 92 5.546 4.292 -5.825 1.00 1.50 N ATOM 1431 CA ILE A 92 6.879 4.534 -6.336 1.00 1.65 C ATOM 1432 C ILE A 92 7.598 5.506 -5.415 1.00 1.71 C ATOM 1433 O ILE A 92 7.398 6.718 -5.486 1.00 1.89 O ATOM 1434 CB ILE A 92 6.851 5.097 -7.772 1.00 1.74 C ATOM 1435 CG1 ILE A 92 5.886 4.284 -8.642 1.00 1.66 C ATOM 1436 CG2 ILE A 92 8.250 5.080 -8.373 1.00 1.96 C ATOM 1437 CD1 ILE A 92 5.761 4.795 -10.062 1.00 1.79 C ATOM 0 H ILE A 92 4.892 5.059 -5.981 1.00 1.50 H new ATOM 0 HA ILE A 92 7.409 3.582 -6.368 1.00 1.65 H new ATOM 0 HB ILE A 92 6.501 6.129 -7.736 1.00 1.74 H new ATOM 0 HG12 ILE A 92 6.221 3.247 -8.668 1.00 1.66 H new ATOM 0 HG13 ILE A 92 4.900 4.289 -8.176 1.00 1.66 H new ATOM 0 HG21 ILE A 92 8.216 5.480 -9.386 1.00 1.96 H new ATOM 0 HG22 ILE A 92 8.915 5.692 -7.764 1.00 1.96 H new ATOM 0 HG23 ILE A 92 8.622 4.056 -8.400 1.00 1.96 H new ATOM 0 HD11 ILE A 92 5.061 4.168 -10.614 1.00 1.79 H new ATOM 0 HD12 ILE A 92 5.395 5.822 -10.048 1.00 1.79 H new ATOM 0 HD13 ILE A 92 6.737 4.764 -10.547 1.00 1.79 H new ATOM 1449 N GLY A 93 8.404 4.958 -4.524 1.00 1.73 N ATOM 1450 CA GLY A 93 9.137 5.771 -3.580 1.00 1.80 C ATOM 1451 C GLY A 93 9.723 4.935 -2.468 1.00 1.84 C ATOM 1452 O GLY A 93 10.258 3.853 -2.718 1.00 1.89 O ATOM 0 H GLY A 93 8.565 3.955 -4.437 1.00 1.73 H new ATOM 0 HA2 GLY A 93 9.936 6.301 -4.098 1.00 1.80 H new ATOM 0 HA3 GLY A 93 8.475 6.527 -3.158 1.00 1.80 H new ATOM 1456 N GLU A 94 9.595 5.406 -1.240 1.00 1.88 N ATOM 1457 CA GLU A 94 10.131 4.689 -0.094 1.00 1.97 C ATOM 1458 C GLU A 94 9.091 4.598 1.016 1.00 1.80 C ATOM 1459 O GLU A 94 8.068 5.278 0.978 1.00 1.84 O ATOM 1460 CB GLU A 94 11.398 5.385 0.417 1.00 2.22 C ATOM 1461 CG GLU A 94 12.565 4.435 0.655 1.00 2.66 C ATOM 1462 CD GLU A 94 12.496 3.741 2.000 1.00 2.63 C ATOM 1463 OE1 GLU A 94 11.848 2.676 2.088 1.00 2.85 O ATOM 1464 OE2 GLU A 94 13.079 4.271 2.973 1.00 3.03 O ATOM 0 H GLU A 94 9.125 6.281 -1.010 1.00 1.88 H new ATOM 0 HA GLU A 94 10.387 3.677 -0.406 1.00 1.97 H new ATOM 0 HB2 GLU A 94 11.701 6.145 -0.304 1.00 2.22 H new ATOM 0 HB3 GLU A 94 11.167 5.903 1.348 1.00 2.22 H new ATOM 0 HG2 GLU A 94 12.583 3.684 -0.135 1.00 2.66 H new ATOM 0 HG3 GLU A 94 13.500 4.992 0.587 1.00 2.66 H new ATOM 1471 N LYS A 95 9.354 3.744 1.989 1.00 1.82 N ATOM 1472 CA LYS A 95 8.464 3.551 3.123 1.00 1.72 C ATOM 1473 C LYS A 95 9.285 3.583 4.405 1.00 1.77 C ATOM 1474 O LYS A 95 9.237 2.653 5.208 1.00 1.96 O ATOM 1475 CB LYS A 95 7.726 2.214 3.006 1.00 1.81 C ATOM 1476 CG LYS A 95 6.653 2.188 1.933 1.00 1.79 C ATOM 1477 CD LYS A 95 5.935 0.847 1.907 1.00 2.06 C ATOM 1478 CE LYS A 95 4.446 1.012 1.651 1.00 2.15 C ATOM 1479 NZ LYS A 95 3.825 1.969 2.603 1.00 2.38 N ATOM 0 H LYS A 95 10.192 3.163 2.016 1.00 1.82 H new ATOM 0 HA LYS A 95 7.722 4.349 3.139 1.00 1.72 H new ATOM 0 HB2 LYS A 95 8.452 1.428 2.797 1.00 1.81 H new ATOM 0 HB3 LYS A 95 7.269 1.979 3.967 1.00 1.81 H new ATOM 0 HG2 LYS A 95 5.933 2.986 2.115 1.00 1.79 H new ATOM 0 HG3 LYS A 95 7.103 2.382 0.959 1.00 1.79 H new ATOM 0 HD2 LYS A 95 6.370 0.216 1.132 1.00 2.06 H new ATOM 0 HD3 LYS A 95 6.086 0.335 2.857 1.00 2.06 H new ATOM 0 HE2 LYS A 95 4.289 1.361 0.630 1.00 2.15 H new ATOM 0 HE3 LYS A 95 3.953 0.044 1.736 1.00 2.15 H new ATOM 0 HZ1 LYS A 95 2.790 1.929 2.510 1.00 2.38 H new ATOM 0 HZ2 LYS A 95 4.096 1.717 3.575 1.00 2.38 H new ATOM 0 HZ3 LYS A 95 4.154 2.932 2.391 1.00 2.38 H new ATOM 1493 N SER A 96 10.037 4.662 4.575 1.00 1.80 N ATOM 1494 CA SER A 96 10.910 4.841 5.727 1.00 1.92 C ATOM 1495 C SER A 96 10.159 4.761 7.057 1.00 1.83 C ATOM 1496 O SER A 96 9.469 5.705 7.457 1.00 1.95 O ATOM 1497 CB SER A 96 11.628 6.181 5.607 1.00 2.15 C ATOM 1498 OG SER A 96 12.092 6.373 4.282 1.00 2.38 O ATOM 0 H SER A 96 10.059 5.440 3.916 1.00 1.80 H new ATOM 0 HA SER A 96 11.630 4.023 5.727 1.00 1.92 H new ATOM 0 HB2 SER A 96 10.952 6.990 5.884 1.00 2.15 H new ATOM 0 HB3 SER A 96 12.467 6.215 6.302 1.00 2.15 H new ATOM 0 HG SER A 96 12.440 5.527 3.931 1.00 2.38 H new ATOM 1504 N ASN A 97 10.297 3.624 7.724 1.00 1.89 N ATOM 1505 CA ASN A 97 9.669 3.397 9.015 1.00 1.93 C ATOM 1506 C ASN A 97 10.418 2.305 9.756 1.00 2.29 C ATOM 1507 O ASN A 97 10.472 1.170 9.241 1.00 2.53 O ATOM 1508 CB ASN A 97 8.203 3.000 8.850 1.00 1.89 C ATOM 1509 CG ASN A 97 7.537 2.715 10.181 1.00 2.00 C ATOM 1510 OD1 ASN A 97 7.485 1.572 10.633 1.00 2.24 O ATOM 1511 ND2 ASN A 97 7.024 3.753 10.819 1.00 1.96 N ATOM 1512 OXT ASN A 97 10.976 2.592 10.837 1.00 2.61 O ATOM 0 H ASN A 97 10.847 2.835 7.385 1.00 1.89 H new ATOM 0 HA ASN A 97 9.707 4.324 9.587 1.00 1.93 H new ATOM 0 HB2 ASN A 97 7.666 3.800 8.340 1.00 1.89 H new ATOM 0 HB3 ASN A 97 8.136 2.117 8.215 1.00 1.89 H new ATOM 0 HD21 ASN A 97 6.564 3.622 11.720 1.00 1.96 H new ATOM 0 HD22 ASN A 97 7.088 4.685 10.410 1.00 1.96 H new TER 1519 ASN A 97 ATOM 1520 N ARG B 185 23.456 5.754 6.770 1.00 5.24 N ATOM 1521 CA ARG B 185 22.159 6.082 6.143 1.00 5.09 C ATOM 1522 C ARG B 185 21.015 5.755 7.094 1.00 5.04 C ATOM 1523 O ARG B 185 21.127 4.853 7.923 1.00 4.90 O ATOM 1524 CB ARG B 185 21.977 5.318 4.824 1.00 4.43 C ATOM 1525 CG ARG B 185 22.348 3.844 4.893 1.00 4.00 C ATOM 1526 CD ARG B 185 21.732 3.059 3.742 1.00 3.44 C ATOM 1527 NE ARG B 185 21.943 3.712 2.450 1.00 3.76 N ATOM 1528 CZ ARG B 185 21.992 3.069 1.283 1.00 3.61 C ATOM 1529 NH1 ARG B 185 21.920 1.744 1.235 1.00 3.10 N ATOM 1530 NH2 ARG B 185 22.139 3.757 0.160 1.00 4.24 N ATOM 0 HA ARG B 185 22.150 7.150 5.926 1.00 5.09 H new ATOM 0 HB2 ARG B 185 20.937 5.404 4.510 1.00 4.43 H new ATOM 0 HB3 ARG B 185 22.583 5.797 4.055 1.00 4.43 H new ATOM 0 HG2 ARG B 185 23.433 3.739 4.867 1.00 4.00 H new ATOM 0 HG3 ARG B 185 22.010 3.427 5.842 1.00 4.00 H new ATOM 0 HD2 ARG B 185 22.163 2.058 3.716 1.00 3.44 H new ATOM 0 HD3 ARG B 185 20.663 2.941 3.917 1.00 3.44 H new ATOM 0 HE ARG B 185 22.060 4.725 2.441 1.00 3.76 H new ATOM 0 HH11 ARG B 185 21.826 1.207 2.097 1.00 3.10 H new ATOM 0 HH12 ARG B 185 21.959 1.263 0.336 1.00 3.10 H new ATOM 0 HH21 ARG B 185 22.214 4.774 0.191 1.00 4.24 H new ATOM 0 HH22 ARG B 185 22.177 3.270 -0.735 1.00 4.24 H new ATOM 1546 N TYR B 186 19.916 6.485 6.963 1.00 5.30 N ATOM 1547 CA TYR B 186 18.754 6.276 7.818 1.00 5.40 C ATOM 1548 C TYR B 186 17.600 5.664 7.035 1.00 4.76 C ATOM 1549 O TYR B 186 16.459 5.657 7.488 1.00 4.97 O ATOM 1550 CB TYR B 186 18.313 7.593 8.466 1.00 6.21 C ATOM 1551 CG TYR B 186 18.138 8.738 7.492 1.00 6.50 C ATOM 1552 CD1 TYR B 186 19.206 9.566 7.171 1.00 7.04 C ATOM 1553 CD2 TYR B 186 16.909 8.993 6.898 1.00 6.39 C ATOM 1554 CE1 TYR B 186 19.052 10.618 6.290 1.00 7.46 C ATOM 1555 CE2 TYR B 186 16.747 10.045 6.019 1.00 6.82 C ATOM 1556 CZ TYR B 186 17.822 10.852 5.715 1.00 7.36 C ATOM 1557 OH TYR B 186 17.663 11.905 4.844 1.00 7.91 O ATOM 0 H TYR B 186 19.804 7.228 6.273 1.00 5.30 H new ATOM 0 HA TYR B 186 19.042 5.579 8.605 1.00 5.40 H new ATOM 0 HB2 TYR B 186 17.371 7.429 8.989 1.00 6.21 H new ATOM 0 HB3 TYR B 186 19.049 7.879 9.217 1.00 6.21 H new ATOM 0 HD1 TYR B 186 20.172 9.384 7.618 1.00 7.04 H new ATOM 0 HD2 TYR B 186 16.066 8.358 7.127 1.00 6.39 H new ATOM 0 HE1 TYR B 186 19.892 11.254 6.053 1.00 7.46 H new ATOM 0 HE2 TYR B 186 15.782 10.235 5.572 1.00 6.82 H new ATOM 0 HH TYR B 186 16.736 11.930 4.527 1.00 7.91 H new ATOM 1567 N HIS B 187 17.900 5.155 5.849 1.00 4.11 N ATOM 1568 CA HIS B 187 16.879 4.530 5.022 1.00 3.50 C ATOM 1569 C HIS B 187 16.952 3.021 5.168 1.00 2.93 C ATOM 1570 O HIS B 187 17.951 2.398 4.802 1.00 2.65 O ATOM 1571 CB HIS B 187 17.027 4.928 3.553 1.00 3.36 C ATOM 1572 CG HIS B 187 16.265 6.166 3.188 1.00 3.78 C ATOM 1573 ND1 HIS B 187 14.926 6.159 2.868 1.00 4.02 N ATOM 1574 CD2 HIS B 187 16.663 7.458 3.095 1.00 4.34 C ATOM 1575 CE1 HIS B 187 14.534 7.386 2.592 1.00 4.46 C ATOM 1576 NE2 HIS B 187 15.567 8.195 2.720 1.00 4.67 N ATOM 0 H HIS B 187 18.835 5.162 5.440 1.00 4.11 H new ATOM 0 HA HIS B 187 15.905 4.880 5.363 1.00 3.50 H new ATOM 0 HB2 HIS B 187 18.083 5.083 3.332 1.00 3.36 H new ATOM 0 HB3 HIS B 187 16.687 4.104 2.926 1.00 3.36 H new ATOM 0 HD1 HIS B 187 14.330 5.332 2.848 1.00 4.02 H new ATOM 0 HD2 HIS B 187 17.657 7.837 3.281 1.00 4.34 H new ATOM 0 HE1 HIS B 187 13.534 7.680 2.308 1.00 4.46 H new ATOM 1585 N ARG B 188 15.903 2.451 5.734 1.00 2.96 N ATOM 1586 CA ARG B 188 15.825 1.017 5.952 1.00 2.79 C ATOM 1587 C ARG B 188 15.704 0.275 4.618 1.00 2.14 C ATOM 1588 O ARG B 188 14.729 0.453 3.884 1.00 1.99 O ATOM 1589 CB ARG B 188 14.647 0.720 6.901 1.00 3.34 C ATOM 1590 CG ARG B 188 13.743 -0.428 6.482 1.00 3.55 C ATOM 1591 CD ARG B 188 12.296 0.026 6.356 1.00 3.79 C ATOM 1592 NE ARG B 188 11.966 0.432 4.988 1.00 3.55 N ATOM 1593 CZ ARG B 188 10.915 -0.026 4.311 1.00 3.89 C ATOM 1594 NH1 ARG B 188 10.029 -0.818 4.911 1.00 4.48 N ATOM 1595 NH2 ARG B 188 10.726 0.339 3.050 1.00 4.04 N ATOM 0 H ARG B 188 15.084 2.967 6.055 1.00 2.96 H new ATOM 0 HA ARG B 188 16.740 0.658 6.422 1.00 2.79 H new ATOM 0 HB2 ARG B 188 15.047 0.502 7.891 1.00 3.34 H new ATOM 0 HB3 ARG B 188 14.041 1.621 6.993 1.00 3.34 H new ATOM 0 HG2 ARG B 188 14.084 -0.833 5.529 1.00 3.55 H new ATOM 0 HG3 ARG B 188 13.811 -1.233 7.213 1.00 3.55 H new ATOM 0 HD2 ARG B 188 11.634 -0.783 6.664 1.00 3.79 H new ATOM 0 HD3 ARG B 188 12.117 0.860 7.035 1.00 3.79 H new ATOM 0 HE ARG B 188 12.578 1.105 4.527 1.00 3.55 H new ATOM 0 HH11 ARG B 188 10.155 -1.074 5.890 1.00 4.48 H new ATOM 0 HH12 ARG B 188 9.224 -1.168 4.392 1.00 4.48 H new ATOM 0 HH21 ARG B 188 11.386 0.971 2.598 1.00 4.04 H new ATOM 0 HH22 ARG B 188 9.920 -0.013 2.533 1.00 4.04 H new ATOM 1609 N ARG B 189 16.726 -0.535 4.316 1.00 2.02 N ATOM 1610 CA ARG B 189 16.788 -1.326 3.082 1.00 1.77 C ATOM 1611 C ARG B 189 16.534 -0.462 1.850 1.00 1.33 C ATOM 1612 O ARG B 189 15.518 -0.609 1.170 1.00 1.67 O ATOM 1613 CB ARG B 189 15.795 -2.490 3.135 1.00 2.37 C ATOM 1614 CG ARG B 189 16.147 -3.527 4.190 1.00 3.12 C ATOM 1615 CD ARG B 189 14.959 -3.857 5.075 1.00 3.82 C ATOM 1616 NE ARG B 189 13.937 -4.630 4.368 1.00 4.33 N ATOM 1617 CZ ARG B 189 12.781 -4.129 3.933 1.00 4.83 C ATOM 1618 NH1 ARG B 189 12.523 -2.832 4.035 1.00 4.91 N ATOM 1619 NH2 ARG B 189 11.891 -4.920 3.360 1.00 5.48 N ATOM 0 H ARG B 189 17.536 -0.660 4.923 1.00 2.02 H new ATOM 0 HA ARG B 189 17.796 -1.732 3.001 1.00 1.77 H new ATOM 0 HB2 ARG B 189 14.797 -2.100 3.336 1.00 2.37 H new ATOM 0 HB3 ARG B 189 15.757 -2.972 2.158 1.00 2.37 H new ATOM 0 HG2 ARG B 189 16.501 -4.436 3.703 1.00 3.12 H new ATOM 0 HG3 ARG B 189 16.967 -3.156 4.805 1.00 3.12 H new ATOM 0 HD2 ARG B 189 15.301 -4.420 5.943 1.00 3.82 H new ATOM 0 HD3 ARG B 189 14.519 -2.932 5.448 1.00 3.82 H new ATOM 0 HE ARG B 189 14.122 -5.618 4.197 1.00 4.33 H new ATOM 0 HH11 ARG B 189 13.213 -2.206 4.450 1.00 4.91 H new ATOM 0 HH12 ARG B 189 11.635 -2.461 3.698 1.00 4.91 H new ATOM 0 HH21 ARG B 189 12.088 -5.915 3.250 1.00 5.48 H new ATOM 0 HH22 ARG B 189 11.007 -4.536 3.027 1.00 5.48 H new ATOM 1633 N GLY B 190 17.464 0.440 1.570 1.00 1.17 N ATOM 1634 CA GLY B 190 17.318 1.317 0.429 1.00 1.54 C ATOM 1635 C GLY B 190 18.265 0.962 -0.698 1.00 1.70 C ATOM 1636 O GLY B 190 19.358 1.521 -0.799 1.00 1.97 O ATOM 0 H GLY B 190 18.316 0.579 2.113 1.00 1.17 H new ATOM 0 HA2 GLY B 190 16.291 1.268 0.066 1.00 1.54 H new ATOM 0 HA3 GLY B 190 17.498 2.346 0.740 1.00 1.54 H new ATOM 1640 N GLY B 191 17.859 0.015 -1.535 1.00 1.91 N ATOM 1641 CA GLY B 191 18.687 -0.387 -2.662 1.00 2.36 C ATOM 1642 C GLY B 191 19.470 -1.654 -2.389 1.00 2.17 C ATOM 1643 O GLY B 191 19.469 -2.583 -3.198 1.00 2.71 O ATOM 0 H GLY B 191 16.972 -0.483 -1.456 1.00 1.91 H new ATOM 0 HA2 GLY B 191 18.055 -0.537 -3.537 1.00 2.36 H new ATOM 0 HA3 GLY B 191 19.380 0.419 -2.904 1.00 2.36 H new ATOM 1647 N TYR B 192 20.143 -1.681 -1.254 1.00 1.71 N ATOM 1648 CA TYR B 192 20.935 -2.831 -0.848 1.00 1.86 C ATOM 1649 C TYR B 192 20.596 -3.170 0.596 1.00 1.87 C ATOM 1650 O TYR B 192 19.427 -3.202 0.971 1.00 2.21 O ATOM 1651 CB TYR B 192 22.435 -2.522 -0.997 1.00 1.91 C ATOM 1652 CG TYR B 192 23.312 -3.725 -1.314 1.00 2.45 C ATOM 1653 CD1 TYR B 192 23.390 -4.230 -2.607 1.00 2.95 C ATOM 1654 CD2 TYR B 192 24.081 -4.339 -0.328 1.00 2.80 C ATOM 1655 CE1 TYR B 192 24.205 -5.305 -2.908 1.00 3.62 C ATOM 1656 CE2 TYR B 192 24.895 -5.416 -0.623 1.00 3.41 C ATOM 1657 CZ TYR B 192 24.953 -5.895 -1.912 1.00 3.77 C ATOM 1658 OH TYR B 192 25.771 -6.963 -2.208 1.00 4.48 O ATOM 0 H TYR B 192 20.157 -0.909 -0.587 1.00 1.71 H new ATOM 0 HA TYR B 192 20.705 -3.685 -1.485 1.00 1.86 H new ATOM 0 HB2 TYR B 192 22.561 -1.781 -1.787 1.00 1.91 H new ATOM 0 HB3 TYR B 192 22.790 -2.066 -0.073 1.00 1.91 H new ATOM 0 HD1 TYR B 192 22.803 -3.774 -3.391 1.00 2.95 H new ATOM 0 HD2 TYR B 192 24.040 -3.967 0.685 1.00 2.80 H new ATOM 0 HE1 TYR B 192 24.255 -5.681 -3.919 1.00 3.62 H new ATOM 0 HE2 TYR B 192 25.483 -5.880 0.155 1.00 3.41 H new ATOM 0 HH TYR B 192 26.229 -7.260 -1.394 1.00 4.48 H new ATOM 1668 N ASP B 193 21.612 -3.397 1.408 1.00 2.08 N ATOM 1669 CA ASP B 193 21.412 -3.711 2.811 1.00 2.57 C ATOM 1670 C ASP B 193 21.064 -2.435 3.583 1.00 2.39 C ATOM 1671 O ASP B 193 20.854 -1.378 2.981 1.00 2.59 O ATOM 1672 CB ASP B 193 22.679 -4.366 3.373 1.00 3.18 C ATOM 1673 CG ASP B 193 22.430 -5.128 4.659 1.00 3.84 C ATOM 1674 OD1 ASP B 193 21.755 -6.178 4.615 1.00 4.22 O ATOM 1675 OD2 ASP B 193 22.904 -4.677 5.716 1.00 4.14 O ATOM 0 H ASP B 193 22.589 -3.370 1.118 1.00 2.08 H new ATOM 0 HA ASP B 193 20.583 -4.411 2.919 1.00 2.57 H new ATOM 0 HB2 ASP B 193 23.091 -5.046 2.628 1.00 3.18 H new ATOM 0 HB3 ASP B 193 23.430 -3.597 3.552 1.00 3.18 H new ATOM 1680 N VAL B 194 21.004 -2.518 4.903 1.00 2.39 N ATOM 1681 CA VAL B 194 20.680 -1.353 5.715 1.00 2.62 C ATOM 1682 C VAL B 194 21.870 -0.393 5.771 1.00 2.80 C ATOM 1683 O VAL B 194 21.737 0.769 6.159 1.00 3.15 O ATOM 1684 CB VAL B 194 20.239 -1.757 7.143 1.00 3.43 C ATOM 1685 CG1 VAL B 194 21.417 -2.258 7.965 1.00 3.97 C ATOM 1686 CG2 VAL B 194 19.532 -0.604 7.846 1.00 3.78 C ATOM 0 H VAL B 194 21.174 -3.373 5.433 1.00 2.39 H new ATOM 0 HA VAL B 194 19.840 -0.844 5.243 1.00 2.62 H new ATOM 0 HB VAL B 194 19.528 -2.578 7.049 1.00 3.43 H new ATOM 0 HG11 VAL B 194 21.074 -2.534 8.962 1.00 3.97 H new ATOM 0 HG12 VAL B 194 21.856 -3.129 7.479 1.00 3.97 H new ATOM 0 HG13 VAL B 194 22.167 -1.471 8.044 1.00 3.97 H new ATOM 0 HG21 VAL B 194 19.233 -0.916 8.847 1.00 3.78 H new ATOM 0 HG22 VAL B 194 20.208 0.248 7.918 1.00 3.78 H new ATOM 0 HG23 VAL B 194 18.648 -0.318 7.276 1.00 3.78 H new ATOM 1696 N GLU B 195 23.036 -0.880 5.368 1.00 2.75 N ATOM 1697 CA GLU B 195 24.234 -0.063 5.356 1.00 3.12 C ATOM 1698 C GLU B 195 24.361 0.659 4.018 1.00 2.88 C ATOM 1699 O GLU B 195 23.592 0.400 3.092 1.00 2.39 O ATOM 1700 CB GLU B 195 25.471 -0.925 5.613 1.00 3.40 C ATOM 1701 CG GLU B 195 26.442 -0.329 6.626 1.00 4.16 C ATOM 1702 CD GLU B 195 25.980 1.006 7.178 1.00 4.65 C ATOM 1703 OE1 GLU B 195 26.274 2.045 6.554 1.00 4.87 O ATOM 1704 OE2 GLU B 195 25.320 1.022 8.239 1.00 5.02 O ATOM 0 H GLU B 195 23.174 -1.838 5.046 1.00 2.75 H new ATOM 0 HA GLU B 195 24.159 0.679 6.151 1.00 3.12 H new ATOM 0 HB2 GLU B 195 25.151 -1.906 5.965 1.00 3.40 H new ATOM 0 HB3 GLU B 195 25.995 -1.080 4.670 1.00 3.40 H new ATOM 0 HG2 GLU B 195 26.574 -1.030 7.450 1.00 4.16 H new ATOM 0 HG3 GLU B 195 27.417 -0.203 6.155 1.00 4.16 H new ATOM 1711 N ASN B 196 25.325 1.567 3.926 1.00 3.43 N ATOM 1712 CA ASN B 196 25.545 2.335 2.698 1.00 3.64 C ATOM 1713 C ASN B 196 26.113 1.459 1.582 1.00 3.41 C ATOM 1714 O ASN B 196 26.026 1.820 0.409 1.00 3.56 O ATOM 1715 CB ASN B 196 26.489 3.510 2.966 1.00 4.47 C ATOM 1716 CG ASN B 196 26.392 4.593 1.904 1.00 4.94 C ATOM 1717 OD1 ASN B 196 25.570 5.501 2.004 1.00 5.26 O ATOM 1718 ND2 ASN B 196 27.234 4.510 0.883 1.00 5.14 N ATOM 0 H ASN B 196 25.969 1.792 4.684 1.00 3.43 H new ATOM 0 HA ASN B 196 24.577 2.716 2.371 1.00 3.64 H new ATOM 0 HB2 ASN B 196 26.259 3.941 3.941 1.00 4.47 H new ATOM 0 HB3 ASN B 196 27.515 3.144 3.013 1.00 4.47 H new ATOM 0 HD21 ASN B 196 27.213 5.215 0.146 1.00 5.14 H new ATOM 0 HD22 ASN B 196 27.903 3.741 0.835 1.00 5.14 H new ATOM 1725 N GLU B 197 26.695 0.317 1.978 1.00 3.29 N ATOM 1726 CA GLU B 197 27.297 -0.669 1.059 1.00 3.26 C ATOM 1727 C GLU B 197 28.319 -0.042 0.099 1.00 3.82 C ATOM 1728 O GLU B 197 28.670 1.134 0.229 1.00 4.30 O ATOM 1729 CB GLU B 197 26.215 -1.445 0.289 1.00 2.93 C ATOM 1730 CG GLU B 197 25.568 -0.675 -0.854 1.00 3.10 C ATOM 1731 CD GLU B 197 25.608 -1.429 -2.159 1.00 3.38 C ATOM 1732 OE1 GLU B 197 26.497 -2.293 -2.317 1.00 3.60 O ATOM 1733 OE2 GLU B 197 24.757 -1.162 -3.030 1.00 3.83 O ATOM 0 H GLU B 197 26.763 0.046 2.959 1.00 3.29 H new ATOM 0 HA GLU B 197 27.848 -1.375 1.680 1.00 3.26 H new ATOM 0 HB2 GLU B 197 26.657 -2.357 -0.111 1.00 2.93 H new ATOM 0 HB3 GLU B 197 25.437 -1.749 0.990 1.00 2.93 H new ATOM 0 HG2 GLU B 197 24.532 -0.455 -0.598 1.00 3.10 H new ATOM 0 HG3 GLU B 197 26.076 0.282 -0.976 1.00 3.10 H new ATOM 1740 N GLU B 198 28.818 -0.847 -0.843 1.00 3.91 N ATOM 1741 CA GLU B 198 29.813 -0.388 -1.814 1.00 4.52 C ATOM 1742 C GLU B 198 29.967 -1.379 -2.970 1.00 4.64 C ATOM 1743 O GLU B 198 31.037 -1.471 -3.574 1.00 5.16 O ATOM 1744 CB GLU B 198 31.171 -0.213 -1.138 1.00 4.90 C ATOM 1745 CG GLU B 198 31.531 1.224 -0.819 1.00 5.36 C ATOM 1746 CD GLU B 198 32.976 1.369 -0.406 1.00 5.99 C ATOM 1747 OE1 GLU B 198 33.363 0.799 0.633 1.00 6.25 O ATOM 1748 OE2 GLU B 198 33.737 2.047 -1.126 1.00 6.45 O ATOM 0 H GLU B 198 28.547 -1.824 -0.953 1.00 3.91 H new ATOM 0 HA GLU B 198 29.463 0.566 -2.209 1.00 4.52 H new ATOM 0 HB2 GLU B 198 31.180 -0.791 -0.214 1.00 4.90 H new ATOM 0 HB3 GLU B 198 31.942 -0.633 -1.784 1.00 4.90 H new ATOM 0 HG2 GLU B 198 31.340 1.848 -1.692 1.00 5.36 H new ATOM 0 HG3 GLU B 198 30.887 1.590 -0.019 1.00 5.36 H new ATOM 1755 N LYS B 199 28.916 -2.118 -3.284 1.00 4.32 N ATOM 1756 CA LYS B 199 28.974 -3.097 -4.365 1.00 4.64 C ATOM 1757 C LYS B 199 27.930 -2.800 -5.434 1.00 4.89 C ATOM 1758 O LYS B 199 28.243 -2.790 -6.623 1.00 5.53 O ATOM 1759 CB LYS B 199 28.789 -4.514 -3.813 1.00 4.38 C ATOM 1760 CG LYS B 199 30.101 -5.242 -3.565 1.00 4.54 C ATOM 1761 CD LYS B 199 29.930 -6.390 -2.583 1.00 4.53 C ATOM 1762 CE LYS B 199 29.908 -5.898 -1.143 1.00 4.41 C ATOM 1763 NZ LYS B 199 31.231 -5.366 -0.715 1.00 4.56 N ATOM 0 H LYS B 199 28.014 -2.062 -2.810 1.00 4.32 H new ATOM 0 HA LYS B 199 29.958 -3.028 -4.829 1.00 4.64 H new ATOM 0 HB2 LYS B 199 28.229 -4.462 -2.879 1.00 4.38 H new ATOM 0 HB3 LYS B 199 28.188 -5.093 -4.514 1.00 4.38 H new ATOM 0 HG2 LYS B 199 30.489 -5.625 -4.509 1.00 4.54 H new ATOM 0 HG3 LYS B 199 30.840 -4.540 -3.179 1.00 4.54 H new ATOM 0 HD2 LYS B 199 29.003 -6.921 -2.801 1.00 4.53 H new ATOM 0 HD3 LYS B 199 30.744 -7.104 -2.712 1.00 4.53 H new ATOM 0 HE2 LYS B 199 29.153 -5.119 -1.038 1.00 4.41 H new ATOM 0 HE3 LYS B 199 29.616 -6.716 -0.485 1.00 4.41 H new ATOM 0 HZ1 LYS B 199 31.283 -5.359 0.324 1.00 4.56 H new ATOM 0 HZ2 LYS B 199 31.988 -5.970 -1.096 1.00 4.56 H new ATOM 0 HZ3 LYS B 199 31.348 -4.397 -1.074 1.00 4.56 H new ATOM 1777 N VAL B 200 26.696 -2.548 -4.996 1.00 4.46 N ATOM 1778 CA VAL B 200 25.579 -2.240 -5.895 1.00 4.74 C ATOM 1779 C VAL B 200 25.457 -3.276 -7.015 1.00 5.32 C ATOM 1780 O VAL B 200 25.532 -2.941 -8.199 1.00 5.99 O ATOM 1781 CB VAL B 200 25.704 -0.828 -6.521 1.00 5.22 C ATOM 1782 CG1 VAL B 200 24.353 -0.339 -7.020 1.00 5.43 C ATOM 1783 CG2 VAL B 200 26.301 0.168 -5.535 1.00 4.96 C ATOM 0 H VAL B 200 26.441 -2.551 -4.008 1.00 4.46 H new ATOM 0 HA VAL B 200 24.680 -2.269 -5.279 1.00 4.74 H new ATOM 0 HB VAL B 200 26.382 -0.903 -7.371 1.00 5.22 H new ATOM 0 HG11 VAL B 200 24.464 0.654 -7.456 1.00 5.43 H new ATOM 0 HG12 VAL B 200 23.974 -1.027 -7.776 1.00 5.43 H new ATOM 0 HG13 VAL B 200 23.652 -0.293 -6.187 1.00 5.43 H new ATOM 0 HG21 VAL B 200 26.374 1.148 -6.007 1.00 4.96 H new ATOM 0 HG22 VAL B 200 25.662 0.236 -4.655 1.00 4.96 H new ATOM 0 HG23 VAL B 200 27.295 -0.166 -5.237 1.00 4.96 H new ATOM 1793 N LYS B 201 25.283 -4.539 -6.646 1.00 5.18 N ATOM 1794 CA LYS B 201 25.157 -5.596 -7.644 1.00 5.84 C ATOM 1795 C LYS B 201 24.054 -6.590 -7.286 1.00 5.78 C ATOM 1796 O LYS B 201 23.854 -7.582 -7.985 1.00 6.37 O ATOM 1797 CB LYS B 201 26.488 -6.333 -7.817 1.00 6.17 C ATOM 1798 CG LYS B 201 26.827 -7.273 -6.672 1.00 5.81 C ATOM 1799 CD LYS B 201 28.186 -7.931 -6.869 1.00 6.12 C ATOM 1800 CE LYS B 201 28.249 -8.735 -8.163 1.00 6.82 C ATOM 1801 NZ LYS B 201 27.365 -9.930 -8.131 1.00 7.02 N ATOM 0 H LYS B 201 25.226 -4.854 -5.678 1.00 5.18 H new ATOM 0 HA LYS B 201 24.884 -5.119 -8.586 1.00 5.84 H new ATOM 0 HB2 LYS B 201 26.458 -6.904 -8.745 1.00 6.17 H new ATOM 0 HB3 LYS B 201 27.287 -5.599 -7.920 1.00 6.17 H new ATOM 0 HG2 LYS B 201 26.823 -6.719 -5.733 1.00 5.81 H new ATOM 0 HG3 LYS B 201 26.058 -8.042 -6.592 1.00 5.81 H new ATOM 0 HD2 LYS B 201 28.961 -7.165 -6.880 1.00 6.12 H new ATOM 0 HD3 LYS B 201 28.397 -8.587 -6.024 1.00 6.12 H new ATOM 0 HE2 LYS B 201 27.962 -8.097 -8.999 1.00 6.82 H new ATOM 0 HE3 LYS B 201 29.277 -9.051 -8.341 1.00 6.82 H new ATOM 0 HZ1 LYS B 201 27.468 -10.462 -9.019 1.00 7.02 H new ATOM 0 HZ2 LYS B 201 27.632 -10.538 -7.330 1.00 7.02 H new ATOM 0 HZ3 LYS B 201 26.376 -9.627 -8.022 1.00 7.02 H new ATOM 1815 N LEU B 202 23.334 -6.321 -6.207 1.00 5.18 N ATOM 1816 CA LEU B 202 22.261 -7.206 -5.774 1.00 5.23 C ATOM 1817 C LEU B 202 21.034 -6.403 -5.375 1.00 4.95 C ATOM 1818 O LEU B 202 21.134 -5.434 -4.629 1.00 4.37 O ATOM 1819 CB LEU B 202 22.710 -8.079 -4.597 1.00 4.91 C ATOM 1820 CG LEU B 202 23.732 -9.166 -4.938 1.00 5.32 C ATOM 1821 CD1 LEU B 202 24.139 -9.924 -3.684 1.00 5.10 C ATOM 1822 CD2 LEU B 202 23.166 -10.120 -5.977 1.00 6.12 C ATOM 0 H LEU B 202 23.472 -5.501 -5.617 1.00 5.18 H new ATOM 0 HA LEU B 202 22.007 -7.854 -6.613 1.00 5.23 H new ATOM 0 HB2 LEU B 202 23.135 -7.433 -3.829 1.00 4.91 H new ATOM 0 HB3 LEU B 202 21.830 -8.554 -4.163 1.00 4.91 H new ATOM 0 HG LEU B 202 24.619 -8.689 -5.355 1.00 5.32 H new ATOM 0 HD11 LEU B 202 24.866 -10.693 -3.944 1.00 5.10 H new ATOM 0 HD12 LEU B 202 24.583 -9.232 -2.969 1.00 5.10 H new ATOM 0 HD13 LEU B 202 23.260 -10.391 -3.240 1.00 5.10 H new ATOM 0 HD21 LEU B 202 23.906 -10.887 -6.208 1.00 6.12 H new ATOM 0 HD22 LEU B 202 22.265 -10.592 -5.585 1.00 6.12 H new ATOM 0 HD23 LEU B 202 22.921 -9.567 -6.884 1.00 6.12 H new ATOM 1834 N GLY B 203 19.883 -6.812 -5.878 1.00 5.44 N ATOM 1835 CA GLY B 203 18.649 -6.127 -5.557 1.00 5.30 C ATOM 1836 C GLY B 203 17.772 -6.951 -4.644 1.00 5.32 C ATOM 1837 O GLY B 203 16.591 -6.656 -4.471 1.00 5.33 O ATOM 0 H GLY B 203 19.779 -7.609 -6.506 1.00 5.44 H new ATOM 0 HA2 GLY B 203 18.876 -5.173 -5.080 1.00 5.30 H new ATOM 0 HA3 GLY B 203 18.108 -5.903 -6.476 1.00 5.30 H new ATOM 1841 N MET B 204 18.361 -7.981 -4.045 1.00 5.45 N ATOM 1842 CA MET B 204 17.634 -8.872 -3.142 1.00 5.69 C ATOM 1843 C MET B 204 17.113 -8.117 -1.924 1.00 5.11 C ATOM 1844 O MET B 204 16.137 -8.532 -1.297 1.00 5.36 O ATOM 1845 CB MET B 204 18.530 -10.033 -2.692 1.00 6.02 C ATOM 1846 CG MET B 204 19.729 -9.599 -1.859 1.00 5.50 C ATOM 1847 SD MET B 204 20.272 -10.864 -0.693 1.00 6.01 S ATOM 1848 CE MET B 204 20.908 -12.111 -1.810 1.00 6.67 C ATOM 0 H MET B 204 19.345 -8.222 -4.168 1.00 5.45 H new ATOM 0 HA MET B 204 16.781 -9.273 -3.689 1.00 5.69 H new ATOM 0 HB2 MET B 204 17.933 -10.737 -2.112 1.00 6.02 H new ATOM 0 HB3 MET B 204 18.886 -10.567 -3.573 1.00 6.02 H new ATOM 0 HG2 MET B 204 20.555 -9.348 -2.524 1.00 5.50 H new ATOM 0 HG3 MET B 204 19.474 -8.692 -1.310 1.00 5.50 H new ATOM 0 HE1 MET B 204 21.651 -12.718 -1.293 1.00 6.67 H new ATOM 0 HE2 MET B 204 20.090 -12.748 -2.148 1.00 6.67 H new ATOM 0 HE3 MET B 204 21.370 -11.627 -2.670 1.00 6.67 H new ATOM 1858 N THR B 205 17.767 -7.015 -1.591 1.00 4.40 N ATOM 1859 CA THR B 205 17.373 -6.204 -0.453 1.00 3.86 C ATOM 1860 C THR B 205 17.002 -4.789 -0.900 1.00 3.22 C ATOM 1861 O THR B 205 16.908 -3.874 -0.086 1.00 2.61 O ATOM 1862 CB THR B 205 18.515 -6.139 0.579 1.00 3.67 C ATOM 1863 OG1 THR B 205 19.387 -7.266 0.415 1.00 3.95 O ATOM 1864 CG2 THR B 205 17.965 -6.126 1.994 1.00 4.16 C ATOM 0 H THR B 205 18.578 -6.661 -2.098 1.00 4.40 H new ATOM 0 HA THR B 205 16.500 -6.667 0.007 1.00 3.86 H new ATOM 0 HB THR B 205 19.073 -5.217 0.413 1.00 3.67 H new ATOM 0 HG1 THR B 205 20.112 -7.217 1.073 1.00 3.95 H new ATOM 0 HG21 THR B 205 18.790 -6.080 2.705 1.00 4.16 H new ATOM 0 HG22 THR B 205 17.323 -5.255 2.127 1.00 4.16 H new ATOM 0 HG23 THR B 205 17.387 -7.033 2.168 1.00 4.16 H new ATOM 1872 N ASN B 206 16.768 -4.626 -2.204 1.00 3.55 N ATOM 1873 CA ASN B 206 16.414 -3.321 -2.771 1.00 3.31 C ATOM 1874 C ASN B 206 15.171 -2.759 -2.096 1.00 3.04 C ATOM 1875 O ASN B 206 15.082 -1.563 -1.818 1.00 2.62 O ATOM 1876 CB ASN B 206 16.182 -3.439 -4.279 1.00 4.07 C ATOM 1877 CG ASN B 206 16.122 -2.089 -4.973 1.00 4.18 C ATOM 1878 OD1 ASN B 206 17.282 -1.561 -5.335 1.00 4.40 O flip ATOM 1879 ND2 ASN B 206 15.047 -1.530 -5.189 1.00 4.21 N flip ATOM 0 H ASN B 206 16.817 -5.381 -2.888 1.00 3.55 H new ATOM 0 HA ASN B 206 17.245 -2.638 -2.594 1.00 3.31 H new ATOM 0 HB2 ASN B 206 16.982 -4.034 -4.720 1.00 4.07 H new ATOM 0 HB3 ASN B 206 15.250 -3.976 -4.458 1.00 4.07 H new ATOM 0 HD21 ASN B 206 14.175 -1.970 -4.894 1.00 4.21 H new ATOM 0 HD22 ASN B 206 15.028 -0.627 -5.663 1.00 4.21 H new ATOM 1886 N SER B 207 14.222 -3.643 -1.842 1.00 3.47 N ATOM 1887 CA SER B 207 12.972 -3.300 -1.185 1.00 3.42 C ATOM 1888 C SER B 207 12.351 -4.576 -0.632 1.00 3.82 C ATOM 1889 O SER B 207 11.155 -4.819 -0.781 1.00 4.01 O ATOM 1890 CB SER B 207 12.004 -2.620 -2.163 1.00 3.85 C ATOM 1891 OG SER B 207 12.497 -1.362 -2.595 1.00 3.99 O ATOM 0 H SER B 207 14.298 -4.630 -2.089 1.00 3.47 H new ATOM 0 HA SER B 207 13.171 -2.597 -0.376 1.00 3.42 H new ATOM 0 HB2 SER B 207 11.845 -3.266 -3.027 1.00 3.85 H new ATOM 0 HB3 SER B 207 11.035 -2.486 -1.683 1.00 3.85 H new ATOM 0 HG SER B 207 13.404 -1.230 -2.249 1.00 3.99 H new ATOM 1897 N HIS B 208 13.189 -5.394 -0.007 1.00 4.12 N ATOM 1898 CA HIS B 208 12.757 -6.663 0.552 1.00 4.71 C ATOM 1899 C HIS B 208 13.655 -7.052 1.717 1.00 4.82 C ATOM 1900 O HIS B 208 13.138 -7.229 2.839 1.00 5.20 O ATOM 1901 CB HIS B 208 12.791 -7.752 -0.527 1.00 5.42 C ATOM 1902 CG HIS B 208 12.546 -9.137 -0.008 1.00 6.08 C ATOM 1903 ND1 HIS B 208 11.313 -9.571 0.423 1.00 6.30 N ATOM 1904 CD2 HIS B 208 13.389 -10.184 0.155 1.00 6.75 C ATOM 1905 CE1 HIS B 208 11.406 -10.822 0.827 1.00 6.95 C ATOM 1906 NE2 HIS B 208 12.654 -11.219 0.677 1.00 7.22 N ATOM 1907 OXT HIS B 208 14.873 -7.172 1.503 1.00 4.71 O ATOM 0 H HIS B 208 14.181 -5.196 0.125 1.00 4.12 H new ATOM 0 HA HIS B 208 11.734 -6.559 0.915 1.00 4.71 H new ATOM 0 HB2 HIS B 208 12.041 -7.522 -1.284 1.00 5.42 H new ATOM 0 HB3 HIS B 208 13.762 -7.728 -1.022 1.00 5.42 H new ATOM 0 HD2 HIS B 208 14.443 -10.201 -0.081 1.00 6.75 H new ATOM 0 HE1 HIS B 208 10.596 -11.421 1.216 1.00 6.95 H new ATOM 0 HE2 HIS B 208 13.015 -12.144 0.911 1.00 7.22 H new TER 1916 HIS B 208