USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 795 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.349) USER MOD Set 2.1: A 23 HIS : no HD1:sc= -5.99! C(o=-12!,f=-22!) USER MOD Set 2.2: A 24 HIS : no HE2:sc= -6.04! C(o=-12!,f=-15!) USER MOD Set 3.1: A 7 ASN : amide:sc= -1.99 K(o=-6.1,f=-8!) USER MOD Set 3.2: A 9 LYS NZ :NH3+ -171:sc= 0.0718 (180deg=0) USER MOD Set 3.3: A 14 CYS SG : rot -60:sc= -4.23 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -91:sc= -1.19! USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 147:sc= -2.12! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -5.64! C(o=-5.6!,f=-3.7!) USER MOD Single : A 32 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.383) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -3.89! K(o=-3.9!,f=-3) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -10! C(o=-10!,f=-13!) USER MOD Single : A 48 ASN : amide:sc= -14.3! C(o=-14!,f=-21!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0551 USER MOD Single : A 55 MET CE :methyl 158:sc= -21! (180deg=-22!) USER MOD Single : A 57 SER OG : rot -59:sc= 1.05 USER MOD Single : A 58 SER OG : rot -170:sc= -0.227 USER MOD Single : A 67 TYR OH : rot -78:sc= -3.83! USER MOD Single : A 69 GLN : amide:sc= -0.426 K(o=-0.43,f=-3.1!) USER MOD Single : A 72 GLN : amide:sc= -0.548 K(o=-0.55,f=-1.3) USER MOD Single : A 77 MET CE :methyl -147:sc= -7.81! (180deg=-8.56!) USER MOD Single : A 80 CYS SG : rot 180:sc= -1.74 USER MOD Single : A 83 SER OG : rot 180:sc= -0.296 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc=-0.000525 X(o=-0.00053,f=-0.25) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -7.86! C(o=-7.9!,f=-8.6!) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -11.904 -14.813 1.033 1.00 0.00 N ATOM 2 CA SER A 1 -11.156 -14.815 -0.212 1.00 0.00 C ATOM 3 C SER A 1 -10.195 -13.625 -0.248 1.00 0.00 C ATOM 4 O SER A 1 -10.627 -12.474 -0.217 1.00 0.00 O ATOM 5 CB SER A 1 -12.095 -14.775 -1.420 1.00 0.00 C ATOM 6 OG SER A 1 -12.508 -16.080 -1.818 1.00 0.00 O ATOM 0 H1 SER A 1 -12.554 -15.625 1.049 1.00 0.00 H new ATOM 0 H2 SER A 1 -11.245 -14.882 1.834 1.00 0.00 H new ATOM 0 H3 SER A 1 -12.450 -13.931 1.109 1.00 0.00 H new ATOM 0 HA SER A 1 -10.581 -15.740 -0.263 1.00 0.00 H new ATOM 0 HB2 SER A 1 -12.972 -14.175 -1.178 1.00 0.00 H new ATOM 0 HB3 SER A 1 -11.593 -14.284 -2.253 1.00 0.00 H new ATOM 0 HG SER A 1 -13.107 -16.012 -2.590 1.00 0.00 H new ATOM 11 N LEU A 2 -8.911 -13.943 -0.311 1.00 0.00 N ATOM 12 CA LEU A 2 -7.886 -12.915 -0.351 1.00 0.00 C ATOM 13 C LEU A 2 -6.509 -13.576 -0.445 1.00 0.00 C ATOM 14 O LEU A 2 -6.249 -14.577 0.222 1.00 0.00 O ATOM 15 CB LEU A 2 -8.031 -11.967 0.841 1.00 0.00 C ATOM 16 CG LEU A 2 -6.809 -11.106 1.168 1.00 0.00 C ATOM 17 CD1 LEU A 2 -6.883 -9.755 0.454 1.00 0.00 C ATOM 18 CD2 LEU A 2 -6.639 -10.948 2.680 1.00 0.00 C ATOM 0 H LEU A 2 -8.557 -14.899 -0.335 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.004 -12.295 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.876 -11.305 0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.280 -12.559 1.722 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.921 -11.617 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.003 -9.163 0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.919 -9.915 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.780 -9.224 0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.764 -10.332 2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.525 -10.470 3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.507 -11.929 3.136 1.00 0.00 H new ATOM 29 N GLY A 3 -5.662 -12.990 -1.279 1.00 0.00 N ATOM 30 CA GLY A 3 -4.319 -13.510 -1.469 1.00 0.00 C ATOM 31 C GLY A 3 -3.292 -12.666 -0.713 1.00 0.00 C ATOM 32 O GLY A 3 -3.643 -11.937 0.214 1.00 0.00 O ATOM 0 H GLY A 3 -5.880 -12.160 -1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -4.273 -14.542 -1.122 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -4.076 -13.519 -2.531 1.00 0.00 H new ATOM 36 N ILE A 4 -2.043 -12.791 -1.135 1.00 0.00 N ATOM 37 CA ILE A 4 -0.962 -12.049 -0.509 1.00 0.00 C ATOM 38 C ILE A 4 0.360 -12.411 -1.188 1.00 0.00 C ATOM 39 O ILE A 4 0.651 -13.586 -1.402 1.00 0.00 O ATOM 40 CB ILE A 4 -0.960 -12.279 1.004 1.00 0.00 C ATOM 41 CG1 ILE A 4 -0.631 -10.988 1.755 1.00 0.00 C ATOM 42 CG2 ILE A 4 -0.013 -13.421 1.383 1.00 0.00 C ATOM 43 CD1 ILE A 4 0.325 -10.111 0.943 1.00 0.00 C ATOM 0 H ILE A 4 -1.755 -13.396 -1.904 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.107 -10.977 -0.645 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.964 -12.579 1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.549 -10.438 1.960 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -0.181 -11.228 2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.030 -13.564 2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.334 -14.339 0.890 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.000 -13.174 1.066 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.543 -9.199 1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.252 -10.655 0.760 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.138 -9.853 -0.009 1.00 0.00 H new ATOM 54 N ASP A 5 1.126 -11.378 -1.508 1.00 0.00 N ATOM 55 CA ASP A 5 2.411 -11.572 -2.159 1.00 0.00 C ATOM 56 C ASP A 5 3.402 -10.525 -1.646 1.00 0.00 C ATOM 57 O ASP A 5 3.023 -9.385 -1.381 1.00 0.00 O ATOM 58 CB ASP A 5 2.291 -11.407 -3.675 1.00 0.00 C ATOM 59 CG ASP A 5 2.864 -12.562 -4.498 1.00 0.00 C ATOM 60 OD1 ASP A 5 4.051 -12.903 -4.382 1.00 0.00 O ATOM 61 OD2 ASP A 5 2.026 -13.130 -5.298 1.00 0.00 O ATOM 0 H ASP A 5 0.882 -10.404 -1.329 1.00 0.00 H new ATOM 0 HA ASP A 5 2.754 -12.581 -1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.238 -11.286 -3.930 1.00 0.00 H new ATOM 0 HB3 ASP A 5 2.797 -10.487 -3.966 1.00 0.00 H new ATOM 66 N MET A 6 4.650 -10.948 -1.521 1.00 0.00 N ATOM 67 CA MET A 6 5.698 -10.061 -1.044 1.00 0.00 C ATOM 68 C MET A 6 6.987 -10.258 -1.843 1.00 0.00 C ATOM 69 O MET A 6 7.397 -11.389 -2.099 1.00 0.00 O ATOM 70 CB MET A 6 5.966 -10.337 0.437 1.00 0.00 C ATOM 71 CG MET A 6 4.763 -9.940 1.295 1.00 0.00 C ATOM 72 SD MET A 6 4.878 -10.712 2.900 1.00 0.00 S ATOM 73 CE MET A 6 5.861 -9.496 3.760 1.00 0.00 C ATOM 0 H MET A 6 4.960 -11.894 -1.742 1.00 0.00 H new ATOM 0 HA MET A 6 5.365 -9.031 -1.175 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.186 -11.395 0.580 1.00 0.00 H new ATOM 0 HB3 MET A 6 6.847 -9.782 0.760 1.00 0.00 H new ATOM 0 HG2 MET A 6 4.726 -8.856 1.405 1.00 0.00 H new ATOM 0 HG3 MET A 6 3.839 -10.242 0.802 1.00 0.00 H new ATOM 0 HE1 MET A 6 6.029 -9.823 4.786 1.00 0.00 H new ATOM 0 HE2 MET A 6 6.820 -9.380 3.255 1.00 0.00 H new ATOM 0 HE3 MET A 6 5.336 -8.541 3.765 1.00 0.00 H new ATOM 81 N ASN A 7 7.592 -9.139 -2.213 1.00 0.00 N ATOM 82 CA ASN A 7 8.828 -9.174 -2.977 1.00 0.00 C ATOM 83 C ASN A 7 9.739 -8.034 -2.517 1.00 0.00 C ATOM 84 O ASN A 7 9.262 -6.956 -2.166 1.00 0.00 O ATOM 85 CB ASN A 7 8.557 -8.988 -4.471 1.00 0.00 C ATOM 86 CG ASN A 7 9.852 -9.089 -5.280 1.00 0.00 C ATOM 87 OD1 ASN A 7 10.169 -8.245 -6.102 1.00 0.00 O ATOM 88 ND2 ASN A 7 10.580 -10.167 -5.002 1.00 0.00 N ATOM 0 H ASN A 7 7.250 -8.203 -1.998 1.00 0.00 H new ATOM 0 HA ASN A 7 9.298 -10.144 -2.813 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.850 -9.744 -4.813 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.092 -8.017 -4.642 1.00 0.00 H new ATOM 0 HD21 ASN A 7 11.462 -10.326 -5.489 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.256 -10.834 -4.302 1.00 0.00 H new ATOM 94 N VAL A 8 11.036 -8.312 -2.533 1.00 0.00 N ATOM 95 CA VAL A 8 12.017 -7.324 -2.122 1.00 0.00 C ATOM 96 C VAL A 8 12.891 -6.950 -3.321 1.00 0.00 C ATOM 97 O VAL A 8 13.355 -7.823 -4.052 1.00 0.00 O ATOM 98 CB VAL A 8 12.826 -7.853 -0.935 1.00 0.00 C ATOM 99 CG1 VAL A 8 14.242 -8.242 -1.367 1.00 0.00 C ATOM 100 CG2 VAL A 8 12.862 -6.831 0.202 1.00 0.00 C ATOM 0 H VAL A 8 11.428 -9.207 -2.824 1.00 0.00 H new ATOM 0 HA VAL A 8 11.523 -6.413 -1.783 1.00 0.00 H new ATOM 0 HB VAL A 8 12.330 -8.750 -0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 8 14.796 -8.615 -0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.189 -9.020 -2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.751 -7.369 -1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.443 -7.231 1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.323 -5.909 -0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.846 -6.623 0.537 1.00 0.00 H new ATOM 110 N LYS A 9 13.088 -5.649 -3.486 1.00 0.00 N ATOM 111 CA LYS A 9 13.897 -5.148 -4.584 1.00 0.00 C ATOM 112 C LYS A 9 14.795 -4.019 -4.076 1.00 0.00 C ATOM 113 O LYS A 9 14.323 -2.911 -3.829 1.00 0.00 O ATOM 114 CB LYS A 9 13.010 -4.746 -5.764 1.00 0.00 C ATOM 115 CG LYS A 9 11.614 -5.358 -5.633 1.00 0.00 C ATOM 116 CD LYS A 9 10.921 -5.440 -6.995 1.00 0.00 C ATOM 117 CE LYS A 9 10.203 -4.130 -7.324 1.00 0.00 C ATOM 118 NZ LYS A 9 8.926 -4.401 -8.023 1.00 0.00 N ATOM 0 H LYS A 9 12.701 -4.928 -2.877 1.00 0.00 H new ATOM 0 HA LYS A 9 14.553 -5.932 -4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.932 -3.660 -5.812 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.469 -5.074 -6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.689 -6.355 -5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.012 -4.758 -4.950 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.657 -5.660 -7.769 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.204 -6.261 -6.994 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.011 -3.573 -6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.841 -3.505 -7.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.526 -3.507 -8.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.098 -5.041 -8.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.256 -4.845 -7.363 1.00 0.00 H new ATOM 127 N GLU A 10 16.074 -4.339 -3.936 1.00 0.00 N ATOM 128 CA GLU A 10 17.041 -3.365 -3.462 1.00 0.00 C ATOM 129 C GLU A 10 16.721 -2.955 -2.023 1.00 0.00 C ATOM 130 O GLU A 10 17.612 -2.558 -1.274 1.00 0.00 O ATOM 131 CB GLU A 10 17.085 -2.143 -4.382 1.00 0.00 C ATOM 132 CG GLU A 10 17.737 -0.950 -3.680 1.00 0.00 C ATOM 133 CD GLU A 10 18.601 -0.146 -4.653 1.00 0.00 C ATOM 134 OE1 GLU A 10 18.218 0.036 -5.818 1.00 0.00 O ATOM 135 OE2 GLU A 10 19.707 0.299 -4.160 1.00 0.00 O ATOM 0 H GLU A 10 16.462 -5.259 -4.143 1.00 0.00 H new ATOM 0 HA GLU A 10 18.028 -3.827 -3.477 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.642 -2.385 -5.287 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.073 -1.879 -4.691 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.966 -0.307 -3.256 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.350 -1.302 -2.850 1.00 0.00 H new ATOM 141 N SER A 11 15.447 -3.068 -1.679 1.00 0.00 N ATOM 142 CA SER A 11 14.999 -2.714 -0.342 1.00 0.00 C ATOM 143 C SER A 11 13.492 -2.451 -0.349 1.00 0.00 C ATOM 144 O SER A 11 12.889 -2.247 0.704 1.00 0.00 O ATOM 145 CB SER A 11 15.749 -1.491 0.185 1.00 0.00 C ATOM 146 OG SER A 11 16.380 -0.758 -0.863 1.00 0.00 O ATOM 0 H SER A 11 14.711 -3.399 -2.302 1.00 0.00 H new ATOM 0 HA SER A 11 15.213 -3.551 0.323 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.054 -0.840 0.715 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.500 -1.810 0.907 1.00 0.00 H new ATOM 0 HG SER A 11 17.291 -1.095 -0.995 1.00 0.00 H new ATOM 151 N VAL A 12 12.926 -2.466 -1.546 1.00 0.00 N ATOM 152 CA VAL A 12 11.500 -2.231 -1.704 1.00 0.00 C ATOM 153 C VAL A 12 10.747 -3.549 -1.517 1.00 0.00 C ATOM 154 O VAL A 12 10.978 -4.509 -2.251 1.00 0.00 O ATOM 155 CB VAL A 12 11.225 -1.570 -3.056 1.00 0.00 C ATOM 156 CG1 VAL A 12 11.522 -2.534 -4.207 1.00 0.00 C ATOM 157 CG2 VAL A 12 9.786 -1.053 -3.131 1.00 0.00 C ATOM 0 H VAL A 12 13.429 -2.637 -2.417 1.00 0.00 H new ATOM 0 HA VAL A 12 11.139 -1.540 -0.942 1.00 0.00 H new ATOM 0 HB VAL A 12 11.894 -0.715 -3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.318 -2.040 -5.157 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.570 -2.833 -4.170 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.890 -3.417 -4.114 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.617 -0.588 -4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.093 -1.885 -3.001 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.622 -0.318 -2.343 1.00 0.00 H new ATOM 167 N LEU A 13 9.862 -3.553 -0.532 1.00 0.00 N ATOM 168 CA LEU A 13 9.073 -4.738 -0.240 1.00 0.00 C ATOM 169 C LEU A 13 7.735 -4.650 -0.976 1.00 0.00 C ATOM 170 O LEU A 13 6.807 -3.991 -0.508 1.00 0.00 O ATOM 171 CB LEU A 13 8.932 -4.929 1.272 1.00 0.00 C ATOM 172 CG LEU A 13 9.576 -3.852 2.147 1.00 0.00 C ATOM 173 CD1 LEU A 13 8.557 -2.780 2.537 1.00 0.00 C ATOM 174 CD2 LEU A 13 10.252 -4.473 3.371 1.00 0.00 C ATOM 0 H LEU A 13 9.673 -2.755 0.074 1.00 0.00 H new ATOM 0 HA LEU A 13 9.579 -5.632 -0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.870 -4.979 1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.366 -5.893 1.538 1.00 0.00 H new ATOM 0 HG LEU A 13 10.354 -3.359 1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.041 -2.027 3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.162 -2.309 1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.740 -3.240 3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.702 -3.686 3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.510 -5.008 3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.026 -5.168 3.046 1.00 0.00 H new ATOM 185 N CYS A 14 7.678 -5.322 -2.117 1.00 0.00 N ATOM 186 CA CYS A 14 6.469 -5.326 -2.922 1.00 0.00 C ATOM 187 C CYS A 14 5.433 -6.215 -2.230 1.00 0.00 C ATOM 188 O CYS A 14 5.750 -7.324 -1.802 1.00 0.00 O ATOM 189 CB CYS A 14 6.746 -5.783 -4.356 1.00 0.00 C ATOM 190 SG CYS A 14 8.497 -5.470 -4.785 1.00 0.00 S ATOM 0 H CYS A 14 8.449 -5.867 -2.502 1.00 0.00 H new ATOM 0 HA CYS A 14 6.080 -4.311 -3.002 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.522 -6.845 -4.458 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.093 -5.252 -5.048 1.00 0.00 H new ATOM 0 HG CYS A 14 8.747 -4.198 -4.688 1.00 0.00 H new ATOM 195 N ILE A 15 4.218 -5.696 -2.143 1.00 0.00 N ATOM 196 CA ILE A 15 3.135 -6.430 -1.510 1.00 0.00 C ATOM 197 C ILE A 15 1.966 -6.552 -2.490 1.00 0.00 C ATOM 198 O ILE A 15 1.159 -5.633 -2.617 1.00 0.00 O ATOM 199 CB ILE A 15 2.755 -5.780 -0.178 1.00 0.00 C ATOM 200 CG1 ILE A 15 3.573 -6.369 0.973 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.249 -5.889 0.075 1.00 0.00 C ATOM 202 CD1 ILE A 15 5.071 -6.152 0.748 1.00 0.00 C ATOM 0 H ILE A 15 3.959 -4.776 -2.500 1.00 0.00 H new ATOM 0 HA ILE A 15 3.453 -7.443 -1.265 1.00 0.00 H new ATOM 0 HB ILE A 15 2.997 -4.719 -0.235 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.272 -5.905 1.912 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.366 -7.435 1.063 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.005 -5.419 1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.708 -5.386 -0.726 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.960 -6.940 0.104 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.630 -6.580 1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.374 -6.637 -0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.278 -5.084 0.683 1.00 0.00 H new ATOM 213 N ARG A 16 1.913 -7.695 -3.159 1.00 0.00 N ATOM 214 CA ARG A 16 0.858 -7.949 -4.124 1.00 0.00 C ATOM 215 C ARG A 16 -0.308 -8.680 -3.455 1.00 0.00 C ATOM 216 O ARG A 16 -0.246 -9.890 -3.241 1.00 0.00 O ATOM 217 CB ARG A 16 1.372 -8.787 -5.295 1.00 0.00 C ATOM 218 CG ARG A 16 1.151 -8.066 -6.626 1.00 0.00 C ATOM 219 CD ARG A 16 2.455 -7.974 -7.423 1.00 0.00 C ATOM 220 NE ARG A 16 2.161 -7.647 -8.836 1.00 0.00 N ATOM 221 CZ ARG A 16 3.075 -7.694 -9.829 1.00 0.00 C ATOM 222 NH1 ARG A 16 4.349 -8.056 -9.571 1.00 0.00 N ATOM 223 NH2 ARG A 16 2.703 -7.380 -11.056 1.00 0.00 N ATOM 0 H ARG A 16 2.584 -8.455 -3.051 1.00 0.00 H new ATOM 0 HA ARG A 16 0.518 -6.986 -4.504 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.434 -8.992 -5.161 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.861 -9.749 -5.310 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.400 -8.597 -7.211 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.762 -7.065 -6.441 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.102 -7.210 -6.991 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.995 -8.919 -7.364 1.00 0.00 H new ATOM 0 HE ARG A 16 1.209 -7.369 -9.075 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.628 -8.297 -8.620 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.033 -8.089 -10.327 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.738 -7.107 -11.242 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.381 -7.410 -11.818 1.00 0.00 H new ATOM 233 N LEU A 17 -1.344 -7.915 -3.143 1.00 0.00 N ATOM 234 CA LEU A 17 -2.522 -8.475 -2.503 1.00 0.00 C ATOM 235 C LEU A 17 -3.595 -8.740 -3.561 1.00 0.00 C ATOM 236 O LEU A 17 -3.867 -7.885 -4.402 1.00 0.00 O ATOM 237 CB LEU A 17 -2.993 -7.569 -1.362 1.00 0.00 C ATOM 238 CG LEU A 17 -2.304 -7.778 -0.012 1.00 0.00 C ATOM 239 CD1 LEU A 17 -2.294 -6.484 0.804 1.00 0.00 C ATOM 240 CD2 LEU A 17 -2.944 -8.936 0.757 1.00 0.00 C ATOM 0 H LEU A 17 -1.392 -6.912 -3.322 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.286 -9.434 -2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.848 -6.532 -1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.065 -7.715 -1.227 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.265 -8.050 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.799 -6.660 1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.757 -5.711 0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.319 -6.158 0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.436 -9.063 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.997 -8.718 0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.855 -9.853 0.174 1.00 0.00 H new ATOM 251 N THR A 18 -4.175 -9.929 -3.484 1.00 0.00 N ATOM 252 CA THR A 18 -5.211 -10.317 -4.425 1.00 0.00 C ATOM 253 C THR A 18 -6.397 -10.940 -3.685 1.00 0.00 C ATOM 254 O THR A 18 -6.270 -12.012 -3.093 1.00 0.00 O ATOM 255 CB THR A 18 -4.583 -11.252 -5.462 1.00 0.00 C ATOM 256 OG1 THR A 18 -3.552 -11.924 -4.744 1.00 0.00 O ATOM 257 CG2 THR A 18 -3.837 -10.491 -6.560 1.00 0.00 C ATOM 0 H THR A 18 -3.947 -10.636 -2.785 1.00 0.00 H new ATOM 0 HA THR A 18 -5.613 -9.450 -4.949 1.00 0.00 H new ATOM 0 HB THR A 18 -5.360 -11.870 -5.912 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.094 -12.552 -5.341 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.411 -11.201 -7.269 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.530 -9.830 -7.080 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.038 -9.899 -6.114 1.00 0.00 H new ATOM 265 N GLY A 19 -7.522 -10.243 -3.743 1.00 0.00 N ATOM 266 CA GLY A 19 -8.729 -10.715 -3.085 1.00 0.00 C ATOM 267 C GLY A 19 -9.663 -9.549 -2.752 1.00 0.00 C ATOM 268 O GLY A 19 -10.127 -8.846 -3.648 1.00 0.00 O ATOM 0 H GLY A 19 -7.624 -9.355 -4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.245 -11.426 -3.730 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.465 -11.247 -2.171 1.00 0.00 H new ATOM 272 N GLU A 20 -9.909 -9.381 -1.462 1.00 0.00 N ATOM 273 CA GLU A 20 -10.779 -8.312 -0.999 1.00 0.00 C ATOM 274 C GLU A 20 -10.020 -7.384 -0.049 1.00 0.00 C ATOM 275 O GLU A 20 -9.007 -7.774 0.529 1.00 0.00 O ATOM 276 CB GLU A 20 -12.033 -8.878 -0.328 1.00 0.00 C ATOM 277 CG GLU A 20 -13.244 -8.781 -1.259 1.00 0.00 C ATOM 278 CD GLU A 20 -14.549 -8.770 -0.460 1.00 0.00 C ATOM 279 OE1 GLU A 20 -15.300 -9.756 -0.489 1.00 0.00 O ATOM 280 OE2 GLU A 20 -14.771 -7.689 0.208 1.00 0.00 O ATOM 0 H GLU A 20 -9.522 -9.967 -0.722 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.100 -7.731 -1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.864 -9.919 -0.052 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.234 -8.333 0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.174 -7.875 -1.860 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.244 -9.623 -1.951 1.00 0.00 H new ATOM 286 N LEU A 21 -10.540 -6.172 0.083 1.00 0.00 N ATOM 287 CA LEU A 21 -9.924 -5.185 0.954 1.00 0.00 C ATOM 288 C LEU A 21 -10.937 -4.741 2.011 1.00 0.00 C ATOM 289 O LEU A 21 -11.593 -3.712 1.853 1.00 0.00 O ATOM 290 CB LEU A 21 -9.347 -4.031 0.131 1.00 0.00 C ATOM 291 CG LEU A 21 -7.859 -4.129 -0.211 1.00 0.00 C ATOM 292 CD1 LEU A 21 -7.063 -4.696 0.965 1.00 0.00 C ATOM 293 CD2 LEU A 21 -7.643 -4.937 -1.493 1.00 0.00 C ATOM 0 H LEU A 21 -11.380 -5.851 -0.398 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.078 -5.621 1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.909 -3.958 -0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.513 -3.103 0.677 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.484 -3.123 -0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.008 -4.755 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.180 -4.045 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.432 -5.693 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.577 -4.991 -1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.038 -5.944 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.160 -4.452 -2.321 1.00 0.00 H new ATOM 304 N ASP A 22 -11.032 -5.538 3.065 1.00 0.00 N ATOM 305 CA ASP A 22 -11.954 -5.240 4.147 1.00 0.00 C ATOM 306 C ASP A 22 -11.267 -5.513 5.487 1.00 0.00 C ATOM 307 O ASP A 22 -10.193 -6.112 5.526 1.00 0.00 O ATOM 308 CB ASP A 22 -13.201 -6.122 4.068 1.00 0.00 C ATOM 309 CG ASP A 22 -13.199 -7.144 2.929 1.00 0.00 C ATOM 310 OD1 ASP A 22 -13.579 -8.309 3.116 1.00 0.00 O ATOM 311 OD2 ASP A 22 -12.779 -6.695 1.795 1.00 0.00 O ATOM 0 H ASP A 22 -10.486 -6.390 3.193 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.246 -4.194 4.061 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.312 -6.654 5.013 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.075 -5.480 3.959 1.00 0.00 H new ATOM 316 N HIS A 23 -11.914 -5.061 6.551 1.00 0.00 N ATOM 317 CA HIS A 23 -11.378 -5.249 7.888 1.00 0.00 C ATOM 318 C HIS A 23 -10.896 -6.692 8.050 1.00 0.00 C ATOM 319 O HIS A 23 -10.059 -6.979 8.904 1.00 0.00 O ATOM 320 CB HIS A 23 -12.406 -4.846 8.947 1.00 0.00 C ATOM 321 CG HIS A 23 -13.299 -5.976 9.398 1.00 0.00 C ATOM 322 ND1 HIS A 23 -13.068 -6.699 10.555 1.00 0.00 N ATOM 323 CD2 HIS A 23 -14.426 -6.499 8.836 1.00 0.00 C ATOM 324 CE1 HIS A 23 -14.019 -7.613 10.674 1.00 0.00 C ATOM 325 NE2 HIS A 23 -14.859 -7.489 9.607 1.00 0.00 N ATOM 0 H HIS A 23 -12.805 -4.565 6.514 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.517 -4.596 8.033 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.881 -4.444 9.813 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -13.026 -4.043 8.549 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -14.888 -6.164 7.919 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -14.113 -8.331 11.476 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -15.684 -8.062 9.430 1.00 0.00 H new ATOM 332 N HIS A 24 -11.445 -7.562 7.215 1.00 0.00 N ATOM 333 CA HIS A 24 -11.082 -8.968 7.255 1.00 0.00 C ATOM 334 C HIS A 24 -9.758 -9.177 6.519 1.00 0.00 C ATOM 335 O HIS A 24 -8.842 -9.808 7.048 1.00 0.00 O ATOM 336 CB HIS A 24 -12.213 -9.837 6.698 1.00 0.00 C ATOM 337 CG HIS A 24 -13.371 -10.021 7.649 1.00 0.00 C ATOM 338 ND1 HIS A 24 -13.434 -11.058 8.564 1.00 0.00 N ATOM 339 CD2 HIS A 24 -14.510 -9.289 7.818 1.00 0.00 C ATOM 340 CE1 HIS A 24 -14.564 -10.946 9.246 1.00 0.00 C ATOM 341 NE2 HIS A 24 -15.230 -9.849 8.782 1.00 0.00 N ATOM 0 H HIS A 24 -12.138 -7.320 6.507 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.937 -9.280 8.289 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -12.581 -9.388 5.775 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.811 -10.816 6.438 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -12.730 -11.785 8.691 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -14.780 -8.404 7.261 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -14.899 -11.607 10.032 1.00 0.00 H new ATOM 348 N THR A 25 -9.696 -8.636 5.311 1.00 0.00 N ATOM 349 CA THR A 25 -8.499 -8.755 4.498 1.00 0.00 C ATOM 350 C THR A 25 -7.456 -7.722 4.930 1.00 0.00 C ATOM 351 O THR A 25 -6.254 -7.972 4.838 1.00 0.00 O ATOM 352 CB THR A 25 -8.909 -8.626 3.030 1.00 0.00 C ATOM 353 OG1 THR A 25 -8.892 -7.222 2.787 1.00 0.00 O ATOM 354 CG2 THR A 25 -10.365 -9.029 2.792 1.00 0.00 C ATOM 0 H THR A 25 -10.457 -8.114 4.876 1.00 0.00 H new ATOM 0 HA THR A 25 -8.024 -9.727 4.634 1.00 0.00 H new ATOM 0 HB THR A 25 -8.256 -9.245 2.415 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.614 -7.053 1.863 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.605 -8.919 1.734 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.509 -10.067 3.091 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.021 -8.388 3.381 1.00 0.00 H new ATOM 362 N ALA A 26 -7.953 -6.585 5.392 1.00 0.00 N ATOM 363 CA ALA A 26 -7.079 -5.513 5.839 1.00 0.00 C ATOM 364 C ALA A 26 -6.304 -5.974 7.075 1.00 0.00 C ATOM 365 O ALA A 26 -5.306 -5.361 7.451 1.00 0.00 O ATOM 366 CB ALA A 26 -7.908 -4.256 6.106 1.00 0.00 C ATOM 0 H ALA A 26 -8.950 -6.382 5.467 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.351 -5.265 5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.252 -3.452 6.441 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.415 -3.953 5.190 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.649 -4.466 6.878 1.00 0.00 H new ATOM 372 N GLU A 27 -6.793 -7.051 7.673 1.00 0.00 N ATOM 373 CA GLU A 27 -6.158 -7.601 8.859 1.00 0.00 C ATOM 374 C GLU A 27 -4.772 -8.149 8.514 1.00 0.00 C ATOM 375 O GLU A 27 -3.796 -7.854 9.201 1.00 0.00 O ATOM 376 CB GLU A 27 -7.032 -8.683 9.495 1.00 0.00 C ATOM 377 CG GLU A 27 -7.377 -8.330 10.943 1.00 0.00 C ATOM 378 CD GLU A 27 -8.837 -7.889 11.068 1.00 0.00 C ATOM 379 OE1 GLU A 27 -9.112 -6.690 11.221 1.00 0.00 O ATOM 380 OE2 GLU A 27 -9.702 -8.843 10.998 1.00 0.00 O ATOM 0 H GLU A 27 -7.621 -7.557 7.359 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.039 -6.800 9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.949 -8.800 8.917 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.511 -9.640 9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.198 -9.193 11.584 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.721 -7.532 11.293 1.00 0.00 H new ATOM 386 N THR A 28 -4.730 -8.936 7.449 1.00 0.00 N ATOM 387 CA THR A 28 -3.480 -9.527 7.004 1.00 0.00 C ATOM 388 C THR A 28 -2.367 -8.477 6.996 1.00 0.00 C ATOM 389 O THR A 28 -1.262 -8.735 7.470 1.00 0.00 O ATOM 390 CB THR A 28 -3.719 -10.169 5.636 1.00 0.00 C ATOM 391 OG1 THR A 28 -3.494 -11.558 5.860 1.00 0.00 O ATOM 392 CG2 THR A 28 -2.653 -9.778 4.611 1.00 0.00 C ATOM 0 H THR A 28 -5.542 -9.178 6.881 1.00 0.00 H new ATOM 0 HA THR A 28 -3.145 -10.306 7.690 1.00 0.00 H new ATOM 0 HB THR A 28 -4.702 -9.878 5.265 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.630 -12.050 5.024 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.870 -10.261 3.658 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.655 -8.696 4.479 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.673 -10.098 4.965 1.00 0.00 H new ATOM 400 N LEU A 29 -2.697 -7.315 6.452 1.00 0.00 N ATOM 401 CA LEU A 29 -1.740 -6.226 6.375 1.00 0.00 C ATOM 402 C LEU A 29 -1.479 -5.682 7.781 1.00 0.00 C ATOM 403 O LEU A 29 -0.406 -5.147 8.055 1.00 0.00 O ATOM 404 CB LEU A 29 -2.215 -5.163 5.383 1.00 0.00 C ATOM 405 CG LEU A 29 -1.567 -3.783 5.515 1.00 0.00 C ATOM 406 CD1 LEU A 29 -2.037 -3.076 6.787 1.00 0.00 C ATOM 407 CD2 LEU A 29 -0.041 -3.886 5.446 1.00 0.00 C ATOM 0 H LEU A 29 -3.615 -7.104 6.060 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.786 -6.585 5.989 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.035 -5.531 4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.293 -5.048 5.493 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.887 -3.172 4.671 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.561 -2.098 6.856 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.119 -2.952 6.756 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.766 -3.674 7.657 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.395 -2.892 5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.318 -4.520 6.257 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.252 -4.320 4.490 1.00 0.00 H new ATOM 418 N LYS A 30 -2.481 -5.836 8.636 1.00 0.00 N ATOM 419 CA LYS A 30 -2.373 -5.366 10.007 1.00 0.00 C ATOM 420 C LYS A 30 -1.016 -5.782 10.579 1.00 0.00 C ATOM 421 O LYS A 30 -0.347 -4.988 11.237 1.00 0.00 O ATOM 422 CB LYS A 30 -3.565 -5.853 10.834 1.00 0.00 C ATOM 423 CG LYS A 30 -3.859 -4.894 11.989 1.00 0.00 C ATOM 424 CD LYS A 30 -3.128 -5.329 13.262 1.00 0.00 C ATOM 425 CE LYS A 30 -1.907 -4.445 13.521 1.00 0.00 C ATOM 426 NZ LYS A 30 -2.125 -3.598 14.714 1.00 0.00 N ATOM 0 H LYS A 30 -3.370 -6.279 8.406 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.413 -4.277 10.042 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.444 -5.939 10.196 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.357 -6.848 11.227 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.552 -3.885 11.716 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.933 -4.861 12.175 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.808 -5.275 14.113 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.815 -6.369 13.169 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.024 -5.067 13.666 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.715 -3.816 12.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.287 -3.004 14.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.955 -2.991 14.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.286 -4.203 15.544 1.00 0.00 H new ATOM 435 N GLN A 31 -0.652 -7.026 10.307 1.00 0.00 N ATOM 436 CA GLN A 31 0.614 -7.556 10.787 1.00 0.00 C ATOM 437 C GLN A 31 1.781 -6.887 10.058 1.00 0.00 C ATOM 438 O GLN A 31 2.832 -6.649 10.649 1.00 0.00 O ATOM 439 CB GLN A 31 0.667 -9.077 10.627 1.00 0.00 C ATOM 440 CG GLN A 31 0.718 -9.472 9.150 1.00 0.00 C ATOM 441 CD GLN A 31 -0.267 -10.604 8.849 1.00 0.00 C ATOM 442 OE1 GLN A 31 0.061 -11.596 8.219 1.00 0.00 O ATOM 443 NE2 GLN A 31 -1.488 -10.401 9.334 1.00 0.00 N ATOM 0 H GLN A 31 -1.210 -7.682 9.761 1.00 0.00 H new ATOM 0 HA GLN A 31 0.700 -7.332 11.850 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.543 -9.470 11.143 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.208 -9.526 11.097 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.483 -8.607 8.530 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.729 -9.786 8.889 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.695 -9.548 9.853 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.218 -11.099 9.187 1.00 0.00 H new ATOM 450 N LYS A 32 1.555 -6.605 8.783 1.00 0.00 N ATOM 451 CA LYS A 32 2.575 -5.968 7.967 1.00 0.00 C ATOM 452 C LYS A 32 2.909 -4.596 8.554 1.00 0.00 C ATOM 453 O LYS A 32 3.927 -3.999 8.209 1.00 0.00 O ATOM 454 CB LYS A 32 2.136 -5.919 6.502 1.00 0.00 C ATOM 455 CG LYS A 32 2.827 -4.774 5.760 1.00 0.00 C ATOM 456 CD LYS A 32 2.838 -5.026 4.250 1.00 0.00 C ATOM 457 CE LYS A 32 3.837 -4.105 3.548 1.00 0.00 C ATOM 458 NZ LYS A 32 5.218 -4.608 3.725 1.00 0.00 N ATOM 0 H LYS A 32 0.682 -6.806 8.296 1.00 0.00 H new ATOM 0 HA LYS A 32 3.494 -6.554 7.981 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.371 -6.866 6.016 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.055 -5.793 6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.313 -3.836 5.972 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.850 -4.666 6.122 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.097 -6.066 4.053 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.840 -4.863 3.843 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.599 -4.043 2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.757 -3.096 3.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.819 -4.252 2.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.593 -4.278 4.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.214 -5.648 3.708 1.00 0.00 H new ATOM 467 N VAL A 33 2.031 -4.133 9.432 1.00 0.00 N ATOM 468 CA VAL A 33 2.220 -2.842 10.071 1.00 0.00 C ATOM 469 C VAL A 33 3.475 -2.888 10.943 1.00 0.00 C ATOM 470 O VAL A 33 4.399 -2.098 10.751 1.00 0.00 O ATOM 471 CB VAL A 33 0.962 -2.456 10.853 1.00 0.00 C ATOM 472 CG1 VAL A 33 1.087 -1.045 11.431 1.00 0.00 C ATOM 473 CG2 VAL A 33 -0.288 -2.582 9.979 1.00 0.00 C ATOM 0 H VAL A 33 1.186 -4.629 9.716 1.00 0.00 H new ATOM 0 HA VAL A 33 2.373 -2.064 9.323 1.00 0.00 H new ATOM 0 HB VAL A 33 0.859 -3.151 11.686 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.180 -0.796 11.982 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.943 -1.002 12.104 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.227 -0.331 10.620 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.167 -2.302 10.559 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.197 -1.922 9.116 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.391 -3.612 9.638 1.00 0.00 H new ATOM 483 N THR A 34 3.471 -3.821 11.883 1.00 0.00 N ATOM 484 CA THR A 34 4.598 -3.980 12.785 1.00 0.00 C ATOM 485 C THR A 34 5.889 -4.197 11.993 1.00 0.00 C ATOM 486 O THR A 34 6.941 -3.677 12.359 1.00 0.00 O ATOM 487 CB THR A 34 4.276 -5.126 13.747 1.00 0.00 C ATOM 488 OG1 THR A 34 5.548 -5.526 14.250 1.00 0.00 O ATOM 489 CG2 THR A 34 3.754 -6.369 13.023 1.00 0.00 C ATOM 0 H THR A 34 2.704 -4.475 12.040 1.00 0.00 H new ATOM 0 HA THR A 34 4.763 -3.078 13.374 1.00 0.00 H new ATOM 0 HB THR A 34 3.536 -4.792 14.474 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.432 -6.265 14.883 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.541 -7.152 13.751 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.841 -6.119 12.482 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.507 -6.723 12.319 1.00 0.00 H new ATOM 497 N GLN A 35 5.766 -4.966 10.921 1.00 0.00 N ATOM 498 CA GLN A 35 6.909 -5.258 10.074 1.00 0.00 C ATOM 499 C GLN A 35 7.435 -3.973 9.432 1.00 0.00 C ATOM 500 O GLN A 35 8.642 -3.734 9.412 1.00 0.00 O ATOM 501 CB GLN A 35 6.551 -6.296 9.009 1.00 0.00 C ATOM 502 CG GLN A 35 6.382 -7.684 9.631 1.00 0.00 C ATOM 503 CD GLN A 35 5.306 -8.487 8.896 1.00 0.00 C ATOM 504 OE1 GLN A 35 5.580 -9.254 7.988 1.00 0.00 O ATOM 505 NE2 GLN A 35 4.072 -8.268 9.339 1.00 0.00 N ATOM 0 H GLN A 35 4.891 -5.396 10.620 1.00 0.00 H new ATOM 0 HA GLN A 35 7.699 -5.681 10.695 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.629 -6.004 8.507 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.332 -6.327 8.249 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.330 -8.221 9.594 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.112 -7.585 10.682 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.914 -7.612 10.104 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.284 -8.756 8.914 1.00 0.00 H new ATOM 512 N SER A 36 6.505 -3.180 8.922 1.00 0.00 N ATOM 513 CA SER A 36 6.860 -1.925 8.280 1.00 0.00 C ATOM 514 C SER A 36 7.184 -0.870 9.339 1.00 0.00 C ATOM 515 O SER A 36 7.950 0.058 9.083 1.00 0.00 O ATOM 516 CB SER A 36 5.733 -1.435 7.369 1.00 0.00 C ATOM 517 OG SER A 36 6.232 -0.897 6.147 1.00 0.00 O ATOM 0 H SER A 36 5.505 -3.382 8.940 1.00 0.00 H new ATOM 0 HA SER A 36 7.742 -2.093 7.662 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.056 -2.262 7.152 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.151 -0.675 7.889 1.00 0.00 H new ATOM 0 HG SER A 36 5.483 -0.597 5.592 1.00 0.00 H new ATOM 522 N LEU A 37 6.583 -1.046 10.507 1.00 0.00 N ATOM 523 CA LEU A 37 6.799 -0.120 11.606 1.00 0.00 C ATOM 524 C LEU A 37 8.301 0.043 11.844 1.00 0.00 C ATOM 525 O LEU A 37 8.777 1.149 12.094 1.00 0.00 O ATOM 526 CB LEU A 37 6.026 -0.572 12.847 1.00 0.00 C ATOM 527 CG LEU A 37 4.934 0.381 13.341 1.00 0.00 C ATOM 528 CD1 LEU A 37 4.207 -0.202 14.554 1.00 0.00 C ATOM 529 CD2 LEU A 37 5.508 1.769 13.630 1.00 0.00 C ATOM 0 H LEU A 37 5.947 -1.816 10.716 1.00 0.00 H new ATOM 0 HA LEU A 37 6.407 0.866 11.355 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.568 -1.538 12.634 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.738 -0.728 13.657 1.00 0.00 H new ATOM 0 HG LEU A 37 4.196 0.497 12.547 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.436 0.494 14.886 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.746 -1.151 14.280 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.920 -0.365 15.362 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.712 2.426 13.979 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.278 1.692 14.398 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.944 2.179 12.719 1.00 0.00 H new ATOM 540 N GLU A 38 9.006 -1.075 11.756 1.00 0.00 N ATOM 541 CA GLU A 38 10.445 -1.070 11.959 1.00 0.00 C ATOM 542 C GLU A 38 11.048 -2.406 11.518 1.00 0.00 C ATOM 543 O GLU A 38 11.343 -3.263 12.351 1.00 0.00 O ATOM 544 CB GLU A 38 10.793 -0.766 13.417 1.00 0.00 C ATOM 545 CG GLU A 38 10.874 0.743 13.658 1.00 0.00 C ATOM 546 CD GLU A 38 9.708 1.223 14.525 1.00 0.00 C ATOM 547 OE1 GLU A 38 8.629 0.611 14.507 1.00 0.00 O ATOM 548 OE2 GLU A 38 9.951 2.271 15.235 1.00 0.00 O ATOM 0 H GLU A 38 8.608 -1.990 11.547 1.00 0.00 H new ATOM 0 HA GLU A 38 10.876 -0.279 11.345 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.040 -1.203 14.073 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.746 -1.230 13.672 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.818 0.987 14.145 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.862 1.269 12.703 1.00 0.00 H new ATOM 554 N LYS A 39 11.212 -2.542 10.211 1.00 0.00 N ATOM 555 CA LYS A 39 11.774 -3.760 9.650 1.00 0.00 C ATOM 556 C LYS A 39 13.230 -3.898 10.099 1.00 0.00 C ATOM 557 O LYS A 39 13.642 -4.960 10.564 1.00 0.00 O ATOM 558 CB LYS A 39 11.594 -3.782 8.131 1.00 0.00 C ATOM 559 CG LYS A 39 12.236 -5.031 7.522 1.00 0.00 C ATOM 560 CD LYS A 39 11.197 -6.134 7.311 1.00 0.00 C ATOM 561 CE LYS A 39 10.983 -6.939 8.595 1.00 0.00 C ATOM 562 NZ LYS A 39 10.156 -8.136 8.325 1.00 0.00 N ATOM 0 H LYS A 39 10.966 -1.830 9.524 1.00 0.00 H new ATOM 0 HA LYS A 39 11.241 -4.634 10.024 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.532 -3.758 7.886 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.042 -2.889 7.695 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.701 -4.777 6.569 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.028 -5.393 8.177 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.253 -5.693 6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.524 -6.798 6.511 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.946 -7.241 9.007 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.497 -6.316 9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.021 -8.671 9.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.230 -7.842 7.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.635 -8.738 7.625 1.00 0.00 H new ATOM 571 N ASP A 40 13.970 -2.810 9.943 1.00 0.00 N ATOM 572 CA ASP A 40 15.372 -2.796 10.327 1.00 0.00 C ATOM 573 C ASP A 40 15.985 -1.446 9.951 1.00 0.00 C ATOM 574 O ASP A 40 15.869 -0.478 10.700 1.00 0.00 O ATOM 575 CB ASP A 40 16.153 -3.891 9.597 1.00 0.00 C ATOM 576 CG ASP A 40 16.135 -5.261 10.277 1.00 0.00 C ATOM 577 OD1 ASP A 40 15.545 -6.222 9.762 1.00 0.00 O ATOM 578 OD2 ASP A 40 16.770 -5.321 11.398 1.00 0.00 O ATOM 0 H ASP A 40 13.625 -1.932 9.556 1.00 0.00 H new ATOM 0 HA ASP A 40 15.430 -2.967 11.402 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.747 -3.996 8.591 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.189 -3.568 9.491 1.00 0.00 H new ATOM 583 N ASP A 41 16.625 -1.426 8.791 1.00 0.00 N ATOM 584 CA ASP A 41 17.258 -0.211 8.307 1.00 0.00 C ATOM 585 C ASP A 41 16.188 0.726 7.742 1.00 0.00 C ATOM 586 O ASP A 41 15.394 1.291 8.493 1.00 0.00 O ATOM 587 CB ASP A 41 18.256 -0.517 7.188 1.00 0.00 C ATOM 588 CG ASP A 41 18.925 0.710 6.565 1.00 0.00 C ATOM 589 OD1 ASP A 41 18.889 0.903 5.340 1.00 0.00 O ATOM 590 OD2 ASP A 41 19.510 1.496 7.403 1.00 0.00 O ATOM 0 H ASP A 41 16.719 -2.232 8.172 1.00 0.00 H new ATOM 0 HA ASP A 41 17.784 0.251 9.143 1.00 0.00 H new ATOM 0 HB2 ASP A 41 19.031 -1.174 7.583 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.740 -1.069 6.402 1.00 0.00 H new ATOM 595 N ILE A 42 16.202 0.862 6.425 1.00 0.00 N ATOM 596 CA ILE A 42 15.243 1.721 5.751 1.00 0.00 C ATOM 597 C ILE A 42 14.949 1.157 4.359 1.00 0.00 C ATOM 598 O ILE A 42 15.541 1.591 3.372 1.00 0.00 O ATOM 599 CB ILE A 42 15.738 3.169 5.736 1.00 0.00 C ATOM 600 CG1 ILE A 42 15.309 3.908 7.005 1.00 0.00 C ATOM 601 CG2 ILE A 42 15.278 3.892 4.468 1.00 0.00 C ATOM 602 CD1 ILE A 42 13.805 3.763 7.243 1.00 0.00 C ATOM 0 H ILE A 42 16.862 0.392 5.806 1.00 0.00 H new ATOM 0 HA ILE A 42 14.298 1.737 6.295 1.00 0.00 H new ATOM 0 HB ILE A 42 16.828 3.158 5.723 1.00 0.00 H new ATOM 0 HG12 ILE A 42 15.856 3.514 7.862 1.00 0.00 H new ATOM 0 HG13 ILE A 42 15.567 4.964 6.920 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.643 4.919 4.482 1.00 0.00 H new ATOM 0 HG22 ILE A 42 15.674 3.378 3.592 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.189 3.895 4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.527 4.298 8.151 1.00 0.00 H new ATOM 0 HD12 ILE A 42 13.261 4.180 6.396 1.00 0.00 H new ATOM 0 HD13 ILE A 42 13.554 2.708 7.352 1.00 0.00 H new ATOM 613 N ARG A 43 14.036 0.198 4.325 1.00 0.00 N ATOM 614 CA ARG A 43 13.657 -0.430 3.071 1.00 0.00 C ATOM 615 C ARG A 43 12.635 0.436 2.331 1.00 0.00 C ATOM 616 O ARG A 43 12.472 1.613 2.645 1.00 0.00 O ATOM 617 CB ARG A 43 13.061 -1.819 3.308 1.00 0.00 C ATOM 618 CG ARG A 43 14.109 -2.911 3.081 1.00 0.00 C ATOM 619 CD ARG A 43 15.485 -2.464 3.580 1.00 0.00 C ATOM 620 NE ARG A 43 16.149 -3.575 4.298 1.00 0.00 N ATOM 621 CZ ARG A 43 16.930 -4.501 3.702 1.00 0.00 C ATOM 622 NH1 ARG A 43 17.151 -4.456 2.371 1.00 0.00 N ATOM 623 NH2 ARG A 43 17.473 -5.450 4.440 1.00 0.00 N ATOM 0 H ARG A 43 13.547 -0.160 5.146 1.00 0.00 H new ATOM 0 HA ARG A 43 14.558 -0.532 2.466 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.676 -1.885 4.326 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.216 -1.976 2.637 1.00 0.00 H new ATOM 0 HG2 ARG A 43 13.809 -3.822 3.599 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.164 -3.152 2.019 1.00 0.00 H new ATOM 0 HD2 ARG A 43 16.100 -2.145 2.739 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.379 -1.604 4.242 1.00 0.00 H new ATOM 0 HE ARG A 43 16.008 -3.645 5.306 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.727 -3.719 1.808 1.00 0.00 H new ATOM 0 HH12 ARG A 43 17.742 -5.159 1.928 1.00 0.00 H new ATOM 0 HH21 ARG A 43 17.300 -5.476 5.445 1.00 0.00 H new ATOM 0 HH22 ARG A 43 18.066 -6.158 4.006 1.00 0.00 H new ATOM 633 N HIS A 44 11.974 -0.182 1.364 1.00 0.00 N ATOM 634 CA HIS A 44 10.972 0.518 0.577 1.00 0.00 C ATOM 635 C HIS A 44 9.721 -0.355 0.446 1.00 0.00 C ATOM 636 O HIS A 44 9.795 -1.575 0.580 1.00 0.00 O ATOM 637 CB HIS A 44 11.544 0.942 -0.777 1.00 0.00 C ATOM 638 CG HIS A 44 12.621 1.997 -0.685 1.00 0.00 C ATOM 639 ND1 HIS A 44 12.530 3.089 0.159 1.00 0.00 N ATOM 640 CD2 HIS A 44 13.811 2.114 -1.340 1.00 0.00 C ATOM 641 CE1 HIS A 44 13.622 3.825 0.011 1.00 0.00 C ATOM 642 NE2 HIS A 44 14.415 3.219 -0.919 1.00 0.00 N ATOM 0 H HIS A 44 12.112 -1.159 1.107 1.00 0.00 H new ATOM 0 HA HIS A 44 10.680 1.437 1.086 1.00 0.00 H new ATOM 0 HB2 HIS A 44 11.951 0.064 -1.279 1.00 0.00 H new ATOM 0 HB3 HIS A 44 10.733 1.318 -1.401 1.00 0.00 H new ATOM 0 HD1 HIS A 44 11.754 3.293 0.789 1.00 0.00 H new ATOM 0 HD2 HIS A 44 14.197 1.425 -2.076 1.00 0.00 H new ATOM 0 HE1 HIS A 44 13.845 4.743 0.534 1.00 0.00 H new ATOM 649 N ILE A 45 8.603 0.306 0.184 1.00 0.00 N ATOM 650 CA ILE A 45 7.339 -0.394 0.032 1.00 0.00 C ATOM 651 C ILE A 45 6.933 -0.392 -1.443 1.00 0.00 C ATOM 652 O ILE A 45 7.417 0.427 -2.222 1.00 0.00 O ATOM 653 CB ILE A 45 6.281 0.204 0.961 1.00 0.00 C ATOM 654 CG1 ILE A 45 6.097 1.700 0.692 1.00 0.00 C ATOM 655 CG2 ILE A 45 6.616 -0.077 2.427 1.00 0.00 C ATOM 656 CD1 ILE A 45 6.547 2.061 -0.725 1.00 0.00 C ATOM 0 H ILE A 45 8.546 1.318 0.073 1.00 0.00 H new ATOM 0 HA ILE A 45 7.443 -1.437 0.333 1.00 0.00 H new ATOM 0 HB ILE A 45 5.328 -0.281 0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.050 1.971 0.825 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.670 2.277 1.418 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.848 0.359 3.066 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.656 -1.154 2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.583 0.363 2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.406 3.129 -0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.601 1.811 -0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.955 1.500 -1.449 1.00 0.00 H new ATOM 667 N VAL A 46 6.050 -1.319 -1.782 1.00 0.00 N ATOM 668 CA VAL A 46 5.574 -1.435 -3.150 1.00 0.00 C ATOM 669 C VAL A 46 4.224 -2.156 -3.157 1.00 0.00 C ATOM 670 O VAL A 46 4.159 -3.356 -3.421 1.00 0.00 O ATOM 671 CB VAL A 46 6.628 -2.131 -4.014 1.00 0.00 C ATOM 672 CG1 VAL A 46 5.972 -3.058 -5.039 1.00 0.00 C ATOM 673 CG2 VAL A 46 7.536 -1.108 -4.700 1.00 0.00 C ATOM 0 H VAL A 46 5.651 -1.997 -1.133 1.00 0.00 H new ATOM 0 HA VAL A 46 5.417 -0.448 -3.584 1.00 0.00 H new ATOM 0 HB VAL A 46 7.248 -2.743 -3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.743 -3.540 -5.640 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.388 -3.818 -4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.317 -2.477 -5.688 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.276 -1.628 -5.308 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.936 -0.458 -5.337 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.044 -0.508 -3.945 1.00 0.00 H new ATOM 683 N LEU A 47 3.181 -1.395 -2.863 1.00 0.00 N ATOM 684 CA LEU A 47 1.837 -1.947 -2.832 1.00 0.00 C ATOM 685 C LEU A 47 1.282 -2.006 -4.256 1.00 0.00 C ATOM 686 O LEU A 47 1.657 -1.200 -5.106 1.00 0.00 O ATOM 687 CB LEU A 47 0.957 -1.157 -1.860 1.00 0.00 C ATOM 688 CG LEU A 47 1.365 -1.215 -0.387 1.00 0.00 C ATOM 689 CD1 LEU A 47 1.047 -2.584 0.217 1.00 0.00 C ATOM 690 CD2 LEU A 47 2.837 -0.838 -0.211 1.00 0.00 C ATOM 0 H LEU A 47 3.239 -0.400 -2.644 1.00 0.00 H new ATOM 0 HA LEU A 47 1.852 -2.969 -2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.950 -0.113 -2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.066 -1.523 -1.948 1.00 0.00 H new ATOM 0 HG LEU A 47 0.777 -0.478 0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.347 -2.598 1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.024 -2.774 0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.591 -3.357 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.101 -0.887 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.460 -1.533 -0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.000 0.175 -0.579 1.00 0.00 H new ATOM 701 N ASN A 48 0.396 -2.968 -4.472 1.00 0.00 N ATOM 702 CA ASN A 48 -0.214 -3.142 -5.779 1.00 0.00 C ATOM 703 C ASN A 48 -1.163 -4.342 -5.737 1.00 0.00 C ATOM 704 O ASN A 48 -0.718 -5.487 -5.665 1.00 0.00 O ATOM 705 CB ASN A 48 0.844 -3.413 -6.850 1.00 0.00 C ATOM 706 CG ASN A 48 1.546 -4.749 -6.601 1.00 0.00 C ATOM 707 OD1 ASN A 48 1.807 -5.521 -7.509 1.00 0.00 O ATOM 708 ND2 ASN A 48 1.838 -4.978 -5.324 1.00 0.00 N ATOM 0 H ASN A 48 0.087 -3.634 -3.764 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.749 -2.225 -6.026 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.376 -3.422 -7.834 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.578 -2.607 -6.853 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.309 -5.842 -5.055 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.591 -4.289 -4.613 1.00 0.00 H new ATOM 714 N LEU A 49 -2.452 -4.040 -5.784 1.00 0.00 N ATOM 715 CA LEU A 49 -3.467 -5.079 -5.753 1.00 0.00 C ATOM 716 C LEU A 49 -3.946 -5.361 -7.178 1.00 0.00 C ATOM 717 O LEU A 49 -4.405 -4.456 -7.873 1.00 0.00 O ATOM 718 CB LEU A 49 -4.593 -4.700 -4.789 1.00 0.00 C ATOM 719 CG LEU A 49 -4.641 -5.482 -3.475 1.00 0.00 C ATOM 720 CD1 LEU A 49 -4.670 -4.534 -2.274 1.00 0.00 C ATOM 721 CD2 LEU A 49 -5.818 -6.460 -3.462 1.00 0.00 C ATOM 0 H LEU A 49 -2.817 -3.089 -5.843 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.048 -6.009 -5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.502 -3.639 -4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.545 -4.833 -5.303 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.729 -6.074 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.704 -5.115 -1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.774 -3.913 -2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.553 -3.897 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.829 -7.003 -2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.751 -5.908 -3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.713 -7.166 -4.285 1.00 0.00 H new ATOM 732 N GLU A 50 -3.823 -6.620 -7.572 1.00 0.00 N ATOM 733 CA GLU A 50 -4.239 -7.032 -8.902 1.00 0.00 C ATOM 734 C GLU A 50 -5.720 -7.415 -8.901 1.00 0.00 C ATOM 735 O GLU A 50 -6.368 -7.405 -9.946 1.00 0.00 O ATOM 736 CB GLU A 50 -3.374 -8.186 -9.413 1.00 0.00 C ATOM 737 CG GLU A 50 -2.725 -7.833 -10.753 1.00 0.00 C ATOM 738 CD GLU A 50 -2.770 -9.023 -11.714 1.00 0.00 C ATOM 739 OE1 GLU A 50 -3.520 -8.994 -12.701 1.00 0.00 O ATOM 740 OE2 GLU A 50 -1.989 -10.002 -11.407 1.00 0.00 O ATOM 0 H GLU A 50 -3.441 -7.368 -6.994 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.103 -6.190 -9.581 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.601 -8.418 -8.680 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.985 -9.081 -9.526 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.241 -6.982 -11.198 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.690 -7.530 -10.592 1.00 0.00 H new ATOM 746 N ASP A 51 -6.212 -7.744 -7.715 1.00 0.00 N ATOM 747 CA ASP A 51 -7.605 -8.129 -7.564 1.00 0.00 C ATOM 748 C ASP A 51 -8.301 -7.149 -6.618 1.00 0.00 C ATOM 749 O ASP A 51 -8.750 -7.534 -5.540 1.00 0.00 O ATOM 750 CB ASP A 51 -7.727 -9.532 -6.965 1.00 0.00 C ATOM 751 CG ASP A 51 -9.160 -10.018 -6.742 1.00 0.00 C ATOM 752 OD1 ASP A 51 -10.090 -9.213 -6.586 1.00 0.00 O ATOM 753 OD2 ASP A 51 -9.306 -11.299 -6.733 1.00 0.00 O ATOM 0 H ASP A 51 -5.671 -7.752 -6.850 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.067 -8.117 -8.551 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.219 -10.237 -7.623 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.201 -9.550 -6.011 1.00 0.00 H new ATOM 758 N LEU A 52 -8.369 -5.900 -7.056 1.00 0.00 N ATOM 759 CA LEU A 52 -9.003 -4.861 -6.262 1.00 0.00 C ATOM 760 C LEU A 52 -10.485 -4.776 -6.632 1.00 0.00 C ATOM 761 O LEU A 52 -10.831 -4.323 -7.722 1.00 0.00 O ATOM 762 CB LEU A 52 -8.253 -3.537 -6.416 1.00 0.00 C ATOM 763 CG LEU A 52 -8.232 -2.631 -5.183 1.00 0.00 C ATOM 764 CD1 LEU A 52 -9.594 -2.624 -4.484 1.00 0.00 C ATOM 765 CD2 LEU A 52 -7.102 -3.026 -4.231 1.00 0.00 C ATOM 0 H LEU A 52 -7.995 -5.584 -7.951 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.953 -5.107 -5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.223 -3.756 -6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.700 -2.983 -7.242 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.034 -1.611 -5.513 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.552 -1.973 -3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.355 -2.258 -5.173 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.847 -3.636 -4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.110 -2.366 -3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.245 -4.056 -3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.145 -2.937 -4.745 1.00 0.00 H new ATOM 776 N SER A 53 -11.321 -5.218 -5.704 1.00 0.00 N ATOM 777 CA SER A 53 -12.758 -5.196 -5.919 1.00 0.00 C ATOM 778 C SER A 53 -13.447 -4.453 -4.773 1.00 0.00 C ATOM 779 O SER A 53 -13.650 -3.242 -4.847 1.00 0.00 O ATOM 780 CB SER A 53 -13.317 -6.615 -6.044 1.00 0.00 C ATOM 781 OG SER A 53 -14.741 -6.634 -5.988 1.00 0.00 O ATOM 0 H SER A 53 -11.031 -5.594 -4.801 1.00 0.00 H new ATOM 0 HA SER A 53 -12.957 -4.672 -6.854 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.985 -7.054 -6.985 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.914 -7.235 -5.243 1.00 0.00 H new ATOM 0 HG SER A 53 -15.059 -7.557 -6.073 1.00 0.00 H new ATOM 786 N PHE A 54 -13.789 -5.209 -3.740 1.00 0.00 N ATOM 787 CA PHE A 54 -14.451 -4.637 -2.581 1.00 0.00 C ATOM 788 C PHE A 54 -13.743 -3.362 -2.118 1.00 0.00 C ATOM 789 O PHE A 54 -14.228 -2.258 -2.356 1.00 0.00 O ATOM 790 CB PHE A 54 -14.378 -5.680 -1.464 1.00 0.00 C ATOM 791 CG PHE A 54 -14.861 -5.172 -0.104 1.00 0.00 C ATOM 792 CD1 PHE A 54 -16.183 -5.222 0.211 1.00 0.00 C ATOM 793 CD2 PHE A 54 -13.968 -4.670 0.790 1.00 0.00 C ATOM 794 CE1 PHE A 54 -16.631 -4.749 1.473 1.00 0.00 C ATOM 795 CE2 PHE A 54 -14.415 -4.197 2.052 1.00 0.00 C ATOM 796 CZ PHE A 54 -15.737 -4.247 2.367 1.00 0.00 C ATOM 0 H PHE A 54 -13.620 -6.213 -3.682 1.00 0.00 H new ATOM 0 HA PHE A 54 -15.480 -4.379 -2.831 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -14.976 -6.546 -1.750 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.348 -6.022 -1.367 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -16.892 -5.621 -0.499 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.918 -4.631 0.540 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.681 -4.788 1.723 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -13.705 -3.798 2.761 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.077 -3.888 3.327 1.00 0.00 H new ATOM 805 N MET A 55 -12.607 -3.558 -1.464 1.00 0.00 N ATOM 806 CA MET A 55 -11.827 -2.438 -0.966 1.00 0.00 C ATOM 807 C MET A 55 -12.738 -1.304 -0.492 1.00 0.00 C ATOM 808 O MET A 55 -13.040 -0.386 -1.253 1.00 0.00 O ATOM 809 CB MET A 55 -10.906 -1.924 -2.074 1.00 0.00 C ATOM 810 CG MET A 55 -10.671 -0.419 -1.937 1.00 0.00 C ATOM 811 SD MET A 55 -11.390 0.440 -3.327 1.00 0.00 S ATOM 812 CE MET A 55 -12.693 -0.701 -3.757 1.00 0.00 C ATOM 0 H MET A 55 -12.208 -4.476 -1.268 1.00 0.00 H new ATOM 0 HA MET A 55 -11.234 -2.781 -0.118 1.00 0.00 H new ATOM 0 HB2 MET A 55 -9.952 -2.450 -2.032 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.347 -2.140 -3.047 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.111 -0.057 -1.008 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.602 -0.213 -1.885 1.00 0.00 H new ATOM 0 HE1 MET A 55 -13.465 -0.176 -4.319 1.00 0.00 H new ATOM 0 HE2 MET A 55 -12.284 -1.507 -4.367 1.00 0.00 H new ATOM 0 HE3 MET A 55 -13.126 -1.118 -2.848 1.00 0.00 H new ATOM 820 N ASP A 56 -13.152 -1.405 0.763 1.00 0.00 N ATOM 821 CA ASP A 56 -14.022 -0.398 1.347 1.00 0.00 C ATOM 822 C ASP A 56 -13.190 0.547 2.215 1.00 0.00 C ATOM 823 O ASP A 56 -12.025 0.806 1.917 1.00 0.00 O ATOM 824 CB ASP A 56 -15.088 -1.041 2.237 1.00 0.00 C ATOM 825 CG ASP A 56 -16.403 -0.266 2.335 1.00 0.00 C ATOM 826 OD1 ASP A 56 -17.064 0.002 1.320 1.00 0.00 O ATOM 827 OD2 ASP A 56 -16.748 0.074 3.530 1.00 0.00 O ATOM 0 H ASP A 56 -12.901 -2.168 1.391 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.508 0.141 0.534 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.301 -2.041 1.859 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.678 -1.160 3.240 1.00 0.00 H new ATOM 832 N SER A 57 -13.821 1.039 3.272 1.00 0.00 N ATOM 833 CA SER A 57 -13.153 1.951 4.185 1.00 0.00 C ATOM 834 C SER A 57 -12.594 1.178 5.381 1.00 0.00 C ATOM 835 O SER A 57 -12.391 1.746 6.452 1.00 0.00 O ATOM 836 CB SER A 57 -14.106 3.049 4.662 1.00 0.00 C ATOM 837 OG SER A 57 -13.613 3.719 5.818 1.00 0.00 O ATOM 0 H SER A 57 -14.788 0.823 3.516 1.00 0.00 H new ATOM 0 HA SER A 57 -12.331 2.427 3.651 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.256 3.772 3.860 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.080 2.612 4.884 1.00 0.00 H new ATOM 0 HG SER A 57 -13.490 3.072 6.544 1.00 0.00 H new ATOM 842 N SER A 58 -12.360 -0.107 5.157 1.00 0.00 N ATOM 843 CA SER A 58 -11.827 -0.964 6.202 1.00 0.00 C ATOM 844 C SER A 58 -10.298 -0.950 6.163 1.00 0.00 C ATOM 845 O SER A 58 -9.651 -0.642 7.163 1.00 0.00 O ATOM 846 CB SER A 58 -12.348 -2.396 6.059 1.00 0.00 C ATOM 847 OG SER A 58 -13.482 -2.468 5.199 1.00 0.00 O ATOM 0 H SER A 58 -12.530 -0.575 4.267 1.00 0.00 H new ATOM 0 HA SER A 58 -12.163 -0.578 7.164 1.00 0.00 H new ATOM 0 HB2 SER A 58 -11.555 -3.033 5.667 1.00 0.00 H new ATOM 0 HB3 SER A 58 -12.613 -2.785 7.042 1.00 0.00 H new ATOM 0 HG SER A 58 -13.880 -3.362 5.256 1.00 0.00 H new ATOM 852 N GLY A 59 -9.764 -1.285 4.998 1.00 0.00 N ATOM 853 CA GLY A 59 -8.323 -1.314 4.816 1.00 0.00 C ATOM 854 C GLY A 59 -7.790 0.071 4.442 1.00 0.00 C ATOM 855 O GLY A 59 -6.587 0.316 4.515 1.00 0.00 O ATOM 0 H GLY A 59 -10.304 -1.539 4.170 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.844 -1.657 5.733 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.066 -2.030 4.035 1.00 0.00 H new ATOM 859 N LEU A 60 -8.711 0.938 4.050 1.00 0.00 N ATOM 860 CA LEU A 60 -8.349 2.291 3.664 1.00 0.00 C ATOM 861 C LEU A 60 -7.458 2.905 4.747 1.00 0.00 C ATOM 862 O LEU A 60 -6.456 3.548 4.441 1.00 0.00 O ATOM 863 CB LEU A 60 -9.601 3.116 3.359 1.00 0.00 C ATOM 864 CG LEU A 60 -9.504 4.066 2.164 1.00 0.00 C ATOM 865 CD1 LEU A 60 -8.814 5.373 2.559 1.00 0.00 C ATOM 866 CD2 LEU A 60 -8.813 3.388 0.979 1.00 0.00 C ATOM 0 H LEU A 60 -9.708 0.730 3.991 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.770 2.280 2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.430 2.430 3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.851 3.702 4.244 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.515 4.319 1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.757 6.031 1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.385 5.862 3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.807 5.159 2.918 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.757 4.085 0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.806 3.087 1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.383 2.508 0.680 1.00 0.00 H new ATOM 877 N GLY A 61 -7.856 2.683 5.991 1.00 0.00 N ATOM 878 CA GLY A 61 -7.107 3.205 7.121 1.00 0.00 C ATOM 879 C GLY A 61 -5.905 2.315 7.441 1.00 0.00 C ATOM 880 O GLY A 61 -4.863 2.804 7.875 1.00 0.00 O ATOM 0 H GLY A 61 -8.688 2.148 6.241 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.766 4.216 6.900 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.757 3.271 7.993 1.00 0.00 H new ATOM 884 N VAL A 62 -6.090 1.022 7.215 1.00 0.00 N ATOM 885 CA VAL A 62 -5.035 0.058 7.474 1.00 0.00 C ATOM 886 C VAL A 62 -3.858 0.333 6.535 1.00 0.00 C ATOM 887 O VAL A 62 -2.711 0.042 6.870 1.00 0.00 O ATOM 888 CB VAL A 62 -5.581 -1.365 7.346 1.00 0.00 C ATOM 889 CG1 VAL A 62 -5.126 -2.013 6.037 1.00 0.00 C ATOM 890 CG2 VAL A 62 -5.176 -2.219 8.550 1.00 0.00 C ATOM 0 H VAL A 62 -6.956 0.620 6.855 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.668 0.159 8.495 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.669 -1.304 7.329 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.529 -3.024 5.972 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.488 -1.424 5.194 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.037 -2.054 6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.577 -3.226 8.433 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.089 -2.267 8.613 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.573 -1.774 9.462 1.00 0.00 H new ATOM 900 N ILE A 63 -4.183 0.889 5.378 1.00 0.00 N ATOM 901 CA ILE A 63 -3.167 1.206 4.388 1.00 0.00 C ATOM 902 C ILE A 63 -2.569 2.578 4.700 1.00 0.00 C ATOM 903 O ILE A 63 -1.379 2.804 4.482 1.00 0.00 O ATOM 904 CB ILE A 63 -3.743 1.094 2.975 1.00 0.00 C ATOM 905 CG1 ILE A 63 -3.621 -0.337 2.445 1.00 0.00 C ATOM 906 CG2 ILE A 63 -3.093 2.111 2.035 1.00 0.00 C ATOM 907 CD1 ILE A 63 -4.997 -0.923 2.126 1.00 0.00 C ATOM 0 H ILE A 63 -5.136 1.128 5.103 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.352 0.484 4.434 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.806 1.331 3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.002 -0.345 1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.119 -0.961 3.184 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.521 2.010 1.038 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.275 3.119 2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.019 1.930 1.989 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.881 -1.940 1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.605 -0.936 3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.486 -0.311 1.369 1.00 0.00 H new ATOM 918 N LEU A 64 -3.419 3.460 5.206 1.00 0.00 N ATOM 919 CA LEU A 64 -2.989 4.804 5.550 1.00 0.00 C ATOM 920 C LEU A 64 -2.012 4.736 6.726 1.00 0.00 C ATOM 921 O LEU A 64 -1.086 5.539 6.815 1.00 0.00 O ATOM 922 CB LEU A 64 -4.198 5.705 5.806 1.00 0.00 C ATOM 923 CG LEU A 64 -4.204 7.045 5.067 1.00 0.00 C ATOM 924 CD1 LEU A 64 -5.206 7.030 3.911 1.00 0.00 C ATOM 925 CD2 LEU A 64 -4.462 8.203 6.034 1.00 0.00 C ATOM 0 H LEU A 64 -4.405 3.269 5.386 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.454 5.258 4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.099 5.157 5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.259 5.903 6.876 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.216 7.200 4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.190 7.994 3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.936 6.244 3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.207 6.841 4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.461 9.144 5.484 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.430 8.066 6.516 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.679 8.225 6.792 1.00 0.00 H new ATOM 936 N GLY A 65 -2.253 3.770 7.600 1.00 0.00 N ATOM 937 CA GLY A 65 -1.408 3.586 8.767 1.00 0.00 C ATOM 938 C GLY A 65 0.032 3.273 8.356 1.00 0.00 C ATOM 939 O GLY A 65 0.974 3.616 9.069 1.00 0.00 O ATOM 0 H GLY A 65 -3.023 3.105 7.523 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.427 4.487 9.380 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.800 2.774 9.380 1.00 0.00 H new ATOM 943 N ARG A 66 0.158 2.625 7.207 1.00 0.00 N ATOM 944 CA ARG A 66 1.467 2.260 6.693 1.00 0.00 C ATOM 945 C ARG A 66 2.202 3.502 6.183 1.00 0.00 C ATOM 946 O ARG A 66 3.377 3.700 6.483 1.00 0.00 O ATOM 947 CB ARG A 66 1.350 1.243 5.557 1.00 0.00 C ATOM 948 CG ARG A 66 2.277 0.049 5.791 1.00 0.00 C ATOM 949 CD ARG A 66 1.622 -0.981 6.714 1.00 0.00 C ATOM 950 NE ARG A 66 0.478 -0.369 7.425 1.00 0.00 N ATOM 951 CZ ARG A 66 0.575 0.261 8.615 1.00 0.00 C ATOM 952 NH1 ARG A 66 1.768 0.366 9.239 1.00 0.00 N ATOM 953 NH2 ARG A 66 -0.513 0.772 9.160 1.00 0.00 N ATOM 0 H ARG A 66 -0.625 2.343 6.617 1.00 0.00 H new ATOM 0 HA ARG A 66 2.030 1.810 7.511 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.319 0.897 5.478 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.599 1.721 4.610 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.523 -0.417 4.837 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.214 0.392 6.230 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.283 -1.838 6.133 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.352 -1.352 7.434 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.442 -0.427 6.989 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.604 -0.032 8.811 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.833 0.844 10.138 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.410 0.688 8.682 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.456 1.251 10.059 1.00 0.00 H new ATOM 963 N TYR A 67 1.476 4.306 5.419 1.00 0.00 N ATOM 964 CA TYR A 67 2.043 5.524 4.864 1.00 0.00 C ATOM 965 C TYR A 67 2.757 6.339 5.944 1.00 0.00 C ATOM 966 O TYR A 67 3.866 6.825 5.731 1.00 0.00 O ATOM 967 CB TYR A 67 0.862 6.333 4.327 1.00 0.00 C ATOM 968 CG TYR A 67 1.170 7.106 3.043 1.00 0.00 C ATOM 969 CD1 TYR A 67 1.014 6.496 1.815 1.00 0.00 C ATOM 970 CD2 TYR A 67 1.601 8.415 3.113 1.00 0.00 C ATOM 971 CE1 TYR A 67 1.304 7.223 0.607 1.00 0.00 C ATOM 972 CE2 TYR A 67 1.890 9.143 1.904 1.00 0.00 C ATOM 973 CZ TYR A 67 1.727 8.512 0.711 1.00 0.00 C ATOM 974 OH TYR A 67 2.000 9.199 -0.430 1.00 0.00 O ATOM 0 H TYR A 67 0.501 4.138 5.171 1.00 0.00 H new ATOM 0 HA TYR A 67 2.774 5.289 4.090 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.027 5.658 4.141 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.538 7.037 5.094 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.674 5.472 1.760 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.722 8.893 4.074 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.188 6.756 -0.360 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.229 10.168 1.945 1.00 0.00 H new ATOM 0 HH TYR A 67 2.876 8.927 -0.774 1.00 0.00 H new ATOM 983 N LYS A 68 2.089 6.465 7.082 1.00 0.00 N ATOM 984 CA LYS A 68 2.644 7.213 8.197 1.00 0.00 C ATOM 985 C LYS A 68 3.564 6.301 9.010 1.00 0.00 C ATOM 986 O LYS A 68 3.997 6.665 10.103 1.00 0.00 O ATOM 987 CB LYS A 68 1.527 7.853 9.023 1.00 0.00 C ATOM 988 CG LYS A 68 0.435 8.427 8.117 1.00 0.00 C ATOM 989 CD LYS A 68 0.777 9.854 7.683 1.00 0.00 C ATOM 990 CE LYS A 68 1.310 9.878 6.249 1.00 0.00 C ATOM 991 NZ LYS A 68 2.163 11.068 6.032 1.00 0.00 N ATOM 0 H LYS A 68 1.168 6.061 7.255 1.00 0.00 H new ATOM 0 HA LYS A 68 3.254 8.040 7.834 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.095 7.111 9.694 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.940 8.645 9.648 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.317 7.794 7.238 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.519 8.422 8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.111 10.483 7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.522 10.275 8.359 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.883 8.972 6.053 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.477 9.887 5.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.516 11.068 5.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.605 11.930 6.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.968 11.043 6.690 1.00 0.00 H new ATOM 1000 N GLN A 69 3.837 5.134 8.446 1.00 0.00 N ATOM 1001 CA GLN A 69 4.698 4.167 9.105 1.00 0.00 C ATOM 1002 C GLN A 69 6.038 4.065 8.374 1.00 0.00 C ATOM 1003 O GLN A 69 7.095 4.100 9.001 1.00 0.00 O ATOM 1004 CB GLN A 69 4.018 2.799 9.196 1.00 0.00 C ATOM 1005 CG GLN A 69 4.009 2.286 10.637 1.00 0.00 C ATOM 1006 CD GLN A 69 2.937 2.997 11.466 1.00 0.00 C ATOM 1007 OE1 GLN A 69 2.802 4.210 11.443 1.00 0.00 O ATOM 1008 NE2 GLN A 69 2.186 2.178 12.196 1.00 0.00 N ATOM 0 H GLN A 69 3.477 4.836 7.539 1.00 0.00 H new ATOM 0 HA GLN A 69 4.886 4.511 10.122 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.995 2.872 8.826 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.539 2.087 8.556 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.825 1.212 10.643 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.988 2.444 11.089 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.353 1.172 12.168 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.443 2.556 12.784 1.00 0.00 H new ATOM 1015 N ILE A 70 5.950 3.939 7.058 1.00 0.00 N ATOM 1016 CA ILE A 70 7.143 3.832 6.235 1.00 0.00 C ATOM 1017 C ILE A 70 7.802 5.208 6.118 1.00 0.00 C ATOM 1018 O ILE A 70 8.998 5.306 5.843 1.00 0.00 O ATOM 1019 CB ILE A 70 6.807 3.194 4.885 1.00 0.00 C ATOM 1020 CG1 ILE A 70 8.073 2.697 4.183 1.00 0.00 C ATOM 1021 CG2 ILE A 70 6.007 4.158 4.008 1.00 0.00 C ATOM 1022 CD1 ILE A 70 8.695 1.523 4.942 1.00 0.00 C ATOM 0 H ILE A 70 5.071 3.909 6.541 1.00 0.00 H new ATOM 0 HA ILE A 70 7.870 3.169 6.703 1.00 0.00 H new ATOM 0 HB ILE A 70 6.176 2.324 5.066 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.832 2.390 3.165 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.795 3.510 4.108 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.781 3.680 3.055 1.00 0.00 H new ATOM 0 HG22 ILE A 70 5.077 4.421 4.511 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.592 5.061 3.832 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.593 1.189 4.422 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.957 1.840 5.952 1.00 0.00 H new ATOM 0 HD13 ILE A 70 7.979 0.703 4.993 1.00 0.00 H new ATOM 1033 N LYS A 71 6.994 6.235 6.332 1.00 0.00 N ATOM 1034 CA LYS A 71 7.485 7.601 6.254 1.00 0.00 C ATOM 1035 C LYS A 71 8.214 7.952 7.553 1.00 0.00 C ATOM 1036 O LYS A 71 9.317 8.495 7.522 1.00 0.00 O ATOM 1037 CB LYS A 71 6.344 8.561 5.912 1.00 0.00 C ATOM 1038 CG LYS A 71 6.290 8.835 4.407 1.00 0.00 C ATOM 1039 CD LYS A 71 5.027 9.615 4.036 1.00 0.00 C ATOM 1040 CE LYS A 71 5.286 10.543 2.847 1.00 0.00 C ATOM 1041 NZ LYS A 71 4.312 11.658 2.838 1.00 0.00 N ATOM 0 H LYS A 71 6.003 6.150 6.559 1.00 0.00 H new ATOM 0 HA LYS A 71 8.209 7.700 5.445 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.396 8.137 6.242 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.479 9.499 6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.172 9.399 4.105 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.313 7.892 3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.224 8.919 3.791 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.692 10.200 4.892 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.300 10.939 2.901 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.212 9.980 1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.256 12.062 1.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.376 11.303 3.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.619 12.393 3.507 1.00 0.00 H new ATOM 1050 N GLN A 72 7.568 7.626 8.663 1.00 0.00 N ATOM 1051 CA GLN A 72 8.142 7.899 9.970 1.00 0.00 C ATOM 1052 C GLN A 72 9.352 6.997 10.218 1.00 0.00 C ATOM 1053 O GLN A 72 10.123 7.228 11.148 1.00 0.00 O ATOM 1054 CB GLN A 72 7.096 7.730 11.074 1.00 0.00 C ATOM 1055 CG GLN A 72 6.865 6.251 11.388 1.00 0.00 C ATOM 1056 CD GLN A 72 5.750 6.077 12.420 1.00 0.00 C ATOM 1057 OE1 GLN A 72 5.008 6.995 12.731 1.00 0.00 O ATOM 1058 NE2 GLN A 72 5.672 4.852 12.932 1.00 0.00 N ATOM 0 H GLN A 72 6.653 7.176 8.684 1.00 0.00 H new ATOM 0 HA GLN A 72 8.478 8.936 9.988 1.00 0.00 H new ATOM 0 HB2 GLN A 72 7.425 8.250 11.974 1.00 0.00 H new ATOM 0 HB3 GLN A 72 6.158 8.191 10.765 1.00 0.00 H new ATOM 0 HG2 GLN A 72 6.605 5.718 10.474 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.787 5.807 11.765 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.325 4.130 12.628 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.960 4.635 13.629 1.00 0.00 H new ATOM 1065 N ILE A 73 9.482 5.989 9.369 1.00 0.00 N ATOM 1066 CA ILE A 73 10.585 5.051 9.484 1.00 0.00 C ATOM 1067 C ILE A 73 11.840 5.665 8.860 1.00 0.00 C ATOM 1068 O ILE A 73 12.938 5.519 9.393 1.00 0.00 O ATOM 1069 CB ILE A 73 10.202 3.696 8.885 1.00 0.00 C ATOM 1070 CG1 ILE A 73 10.908 2.553 9.616 1.00 0.00 C ATOM 1071 CG2 ILE A 73 10.471 3.666 7.379 1.00 0.00 C ATOM 1072 CD1 ILE A 73 10.916 1.280 8.768 1.00 0.00 C ATOM 0 H ILE A 73 8.841 5.801 8.598 1.00 0.00 H new ATOM 0 HA ILE A 73 10.811 4.858 10.533 1.00 0.00 H new ATOM 0 HB ILE A 73 9.130 3.553 9.024 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.932 2.844 9.850 1.00 0.00 H new ATOM 0 HG13 ILE A 73 10.407 2.359 10.564 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.190 2.692 6.979 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.884 4.443 6.889 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.531 3.842 7.195 1.00 0.00 H new ATOM 0 HD11 ILE A 73 11.424 0.484 9.312 1.00 0.00 H new ATOM 0 HD12 ILE A 73 9.890 0.978 8.556 1.00 0.00 H new ATOM 0 HD13 ILE A 73 11.439 1.470 7.831 1.00 0.00 H new ATOM 1083 N GLY A 74 11.634 6.342 7.739 1.00 0.00 N ATOM 1084 CA GLY A 74 12.734 6.980 7.037 1.00 0.00 C ATOM 1085 C GLY A 74 12.761 6.562 5.565 1.00 0.00 C ATOM 1086 O GLY A 74 13.817 6.564 4.935 1.00 0.00 O ATOM 0 H GLY A 74 10.721 6.462 7.300 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.637 8.063 7.109 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.678 6.712 7.512 1.00 0.00 H new ATOM 1090 N GLY A 75 11.587 6.213 5.060 1.00 0.00 N ATOM 1091 CA GLY A 75 11.463 5.794 3.675 1.00 0.00 C ATOM 1092 C GLY A 75 10.294 6.504 2.989 1.00 0.00 C ATOM 1093 O GLY A 75 10.128 7.715 3.132 1.00 0.00 O ATOM 0 H GLY A 75 10.713 6.212 5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.388 6.011 3.142 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.315 4.715 3.630 1.00 0.00 H new ATOM 1097 N GLU A 76 9.513 5.721 2.260 1.00 0.00 N ATOM 1098 CA GLU A 76 8.364 6.260 1.552 1.00 0.00 C ATOM 1099 C GLU A 76 7.314 5.167 1.334 1.00 0.00 C ATOM 1100 O GLU A 76 7.650 3.987 1.254 1.00 0.00 O ATOM 1101 CB GLU A 76 8.785 6.889 0.223 1.00 0.00 C ATOM 1102 CG GLU A 76 10.302 7.078 0.162 1.00 0.00 C ATOM 1103 CD GLU A 76 10.711 8.424 0.764 1.00 0.00 C ATOM 1104 OE1 GLU A 76 9.923 9.381 0.736 1.00 0.00 O ATOM 1105 OE2 GLU A 76 11.894 8.455 1.276 1.00 0.00 O ATOM 0 H GLU A 76 9.653 4.717 2.144 1.00 0.00 H new ATOM 0 HA GLU A 76 7.920 7.046 2.164 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.460 6.255 -0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.290 7.852 0.099 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.795 6.269 0.702 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.638 7.021 -0.873 1.00 0.00 H new ATOM 1111 N MET A 77 6.066 5.601 1.244 1.00 0.00 N ATOM 1112 CA MET A 77 4.965 4.675 1.037 1.00 0.00 C ATOM 1113 C MET A 77 4.297 4.913 -0.318 1.00 0.00 C ATOM 1114 O MET A 77 3.871 6.027 -0.617 1.00 0.00 O ATOM 1115 CB MET A 77 3.933 4.850 2.153 1.00 0.00 C ATOM 1116 CG MET A 77 3.467 3.493 2.685 1.00 0.00 C ATOM 1117 SD MET A 77 1.793 3.173 2.155 1.00 0.00 S ATOM 1118 CE MET A 77 2.109 2.088 0.773 1.00 0.00 C ATOM 0 H MET A 77 5.792 6.581 1.311 1.00 0.00 H new ATOM 0 HA MET A 77 5.361 3.660 1.053 1.00 0.00 H new ATOM 0 HB2 MET A 77 4.366 5.434 2.965 1.00 0.00 H new ATOM 0 HB3 MET A 77 3.077 5.411 1.777 1.00 0.00 H new ATOM 0 HG2 MET A 77 4.128 2.705 2.325 1.00 0.00 H new ATOM 0 HG3 MET A 77 3.521 3.482 3.774 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.350 2.244 0.007 1.00 0.00 H new ATOM 0 HE2 MET A 77 3.093 2.305 0.358 1.00 0.00 H new ATOM 0 HE3 MET A 77 2.077 1.052 1.109 1.00 0.00 H new ATOM 1126 N VAL A 78 4.225 3.847 -1.102 1.00 0.00 N ATOM 1127 CA VAL A 78 3.615 3.926 -2.419 1.00 0.00 C ATOM 1128 C VAL A 78 2.529 2.855 -2.538 1.00 0.00 C ATOM 1129 O VAL A 78 2.565 1.847 -1.833 1.00 0.00 O ATOM 1130 CB VAL A 78 4.691 3.810 -3.501 1.00 0.00 C ATOM 1131 CG1 VAL A 78 4.066 3.824 -4.898 1.00 0.00 C ATOM 1132 CG2 VAL A 78 5.736 4.917 -3.356 1.00 0.00 C ATOM 0 H VAL A 78 4.579 2.924 -0.851 1.00 0.00 H new ATOM 0 HA VAL A 78 3.134 4.894 -2.560 1.00 0.00 H new ATOM 0 HB VAL A 78 5.197 2.854 -3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.852 3.740 -5.649 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.378 2.984 -4.997 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.522 4.757 -5.044 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.489 4.811 -4.137 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.252 5.889 -3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.214 4.841 -2.379 1.00 0.00 H new ATOM 1142 N VAL A 79 1.588 3.109 -3.434 1.00 0.00 N ATOM 1143 CA VAL A 79 0.492 2.180 -3.655 1.00 0.00 C ATOM 1144 C VAL A 79 -0.103 2.421 -5.043 1.00 0.00 C ATOM 1145 O VAL A 79 -0.319 3.564 -5.440 1.00 0.00 O ATOM 1146 CB VAL A 79 -0.537 2.310 -2.531 1.00 0.00 C ATOM 1147 CG1 VAL A 79 -1.182 3.698 -2.535 1.00 0.00 C ATOM 1148 CG2 VAL A 79 -1.599 1.212 -2.632 1.00 0.00 C ATOM 0 H VAL A 79 1.561 3.946 -4.017 1.00 0.00 H new ATOM 0 HA VAL A 79 0.851 1.151 -3.631 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.015 2.186 -1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.910 3.763 -1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.413 4.457 -2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.684 3.863 -3.488 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.319 1.326 -1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.114 1.291 -3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.121 0.235 -2.557 1.00 0.00 H new ATOM 1158 N CYS A 80 -0.353 1.323 -5.743 1.00 0.00 N ATOM 1159 CA CYS A 80 -0.920 1.401 -7.079 1.00 0.00 C ATOM 1160 C CYS A 80 -1.971 0.298 -7.219 1.00 0.00 C ATOM 1161 O CYS A 80 -2.368 -0.316 -6.230 1.00 0.00 O ATOM 1162 CB CYS A 80 0.160 1.302 -8.158 1.00 0.00 C ATOM 1163 SG CYS A 80 0.569 -0.454 -8.473 1.00 0.00 S ATOM 0 H CYS A 80 -0.173 0.376 -5.410 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.394 2.372 -7.221 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.188 1.774 -9.077 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.053 1.841 -7.841 1.00 0.00 H new ATOM 0 HG CYS A 80 1.486 -0.528 -9.392 1.00 0.00 H new ATOM 1168 N ALA A 81 -2.393 0.080 -8.456 1.00 0.00 N ATOM 1169 CA ALA A 81 -3.389 -0.938 -8.739 1.00 0.00 C ATOM 1170 C ALA A 81 -4.776 -0.403 -8.376 1.00 0.00 C ATOM 1171 O ALA A 81 -5.628 -1.149 -7.897 1.00 0.00 O ATOM 1172 CB ALA A 81 -3.042 -2.218 -7.977 1.00 0.00 C ATOM 0 H ALA A 81 -2.063 0.592 -9.274 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.396 -1.182 -9.801 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.790 -2.982 -8.190 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.061 -2.574 -8.291 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.028 -2.012 -6.907 1.00 0.00 H new ATOM 1178 N ILE A 82 -4.959 0.887 -8.620 1.00 0.00 N ATOM 1179 CA ILE A 82 -6.228 1.531 -8.325 1.00 0.00 C ATOM 1180 C ILE A 82 -7.255 1.135 -9.387 1.00 0.00 C ATOM 1181 O ILE A 82 -7.106 0.107 -10.046 1.00 0.00 O ATOM 1182 CB ILE A 82 -6.041 3.043 -8.184 1.00 0.00 C ATOM 1183 CG1 ILE A 82 -6.966 3.611 -7.106 1.00 0.00 C ATOM 1184 CG2 ILE A 82 -6.229 3.746 -9.529 1.00 0.00 C ATOM 1185 CD1 ILE A 82 -6.548 3.130 -5.715 1.00 0.00 C ATOM 0 H ILE A 82 -4.250 1.503 -9.018 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.614 1.190 -7.365 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.017 3.232 -7.862 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.944 4.700 -7.140 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.993 3.307 -7.306 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.091 4.820 -9.401 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.496 3.368 -10.242 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.234 3.552 -9.904 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.222 3.548 -4.968 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.595 2.042 -5.677 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.529 3.457 -5.508 1.00 0.00 H new ATOM 1196 N SER A 83 -8.274 1.971 -9.520 1.00 0.00 N ATOM 1197 CA SER A 83 -9.326 1.721 -10.491 1.00 0.00 C ATOM 1198 C SER A 83 -10.327 2.878 -10.488 1.00 0.00 C ATOM 1199 O SER A 83 -10.283 3.739 -9.611 1.00 0.00 O ATOM 1200 CB SER A 83 -10.041 0.400 -10.201 1.00 0.00 C ATOM 1201 OG SER A 83 -9.924 -0.520 -11.284 1.00 0.00 O ATOM 0 H SER A 83 -8.394 2.823 -8.971 1.00 0.00 H new ATOM 0 HA SER A 83 -8.869 1.647 -11.478 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.624 -0.047 -9.299 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.095 0.594 -10.003 1.00 0.00 H new ATOM 0 HG SER A 83 -10.392 -1.351 -11.059 1.00 0.00 H new ATOM 1206 N PRO A 84 -11.230 2.859 -11.504 1.00 0.00 N ATOM 1207 CA PRO A 84 -12.241 3.896 -11.626 1.00 0.00 C ATOM 1208 C PRO A 84 -13.351 3.704 -10.591 1.00 0.00 C ATOM 1209 O PRO A 84 -14.207 4.571 -10.425 1.00 0.00 O ATOM 1210 CB PRO A 84 -12.740 3.791 -13.058 1.00 0.00 C ATOM 1211 CG PRO A 84 -12.330 2.410 -13.543 1.00 0.00 C ATOM 1212 CD PRO A 84 -11.313 1.854 -12.560 1.00 0.00 C ATOM 0 HA PRO A 84 -11.848 4.893 -11.427 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.822 3.916 -13.105 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.302 4.570 -13.682 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -13.198 1.754 -13.606 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -11.902 2.468 -14.544 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -11.631 0.889 -12.164 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -10.345 1.700 -13.037 1.00 0.00 H new ATOM 1217 N ALA A 85 -13.300 2.563 -9.920 1.00 0.00 N ATOM 1218 CA ALA A 85 -14.291 2.245 -8.905 1.00 0.00 C ATOM 1219 C ALA A 85 -13.579 1.847 -7.611 1.00 0.00 C ATOM 1220 O ALA A 85 -14.132 1.113 -6.794 1.00 0.00 O ATOM 1221 CB ALA A 85 -15.219 1.145 -9.423 1.00 0.00 C ATOM 0 H ALA A 85 -12.588 1.846 -10.059 1.00 0.00 H new ATOM 0 HA ALA A 85 -14.910 3.116 -8.687 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -15.962 0.907 -8.662 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -15.723 1.489 -10.326 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.635 0.254 -9.651 1.00 0.00 H new ATOM 1227 N VAL A 86 -12.362 2.351 -7.463 1.00 0.00 N ATOM 1228 CA VAL A 86 -11.568 2.057 -6.282 1.00 0.00 C ATOM 1229 C VAL A 86 -10.835 3.324 -5.837 1.00 0.00 C ATOM 1230 O VAL A 86 -10.676 3.567 -4.642 1.00 0.00 O ATOM 1231 CB VAL A 86 -10.623 0.887 -6.564 1.00 0.00 C ATOM 1232 CG1 VAL A 86 -9.410 0.926 -5.633 1.00 0.00 C ATOM 1233 CG2 VAL A 86 -11.359 -0.451 -6.452 1.00 0.00 C ATOM 0 H VAL A 86 -11.907 2.961 -8.142 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.210 1.747 -5.458 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.262 0.986 -7.588 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.754 0.084 -5.854 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.866 1.859 -5.783 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.744 0.863 -4.597 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -10.665 -1.266 -6.657 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -11.762 -0.562 -5.445 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -12.175 -0.479 -7.174 1.00 0.00 H new ATOM 1243 N LYS A 87 -10.408 4.099 -6.824 1.00 0.00 N ATOM 1244 CA LYS A 87 -9.695 5.335 -6.549 1.00 0.00 C ATOM 1245 C LYS A 87 -10.679 6.380 -6.020 1.00 0.00 C ATOM 1246 O LYS A 87 -10.271 7.426 -5.520 1.00 0.00 O ATOM 1247 CB LYS A 87 -8.919 5.792 -7.786 1.00 0.00 C ATOM 1248 CG LYS A 87 -9.799 6.646 -8.701 1.00 0.00 C ATOM 1249 CD LYS A 87 -9.451 6.410 -10.172 1.00 0.00 C ATOM 1250 CE LYS A 87 -9.382 7.733 -10.938 1.00 0.00 C ATOM 1251 NZ LYS A 87 -10.738 8.291 -11.134 1.00 0.00 N ATOM 0 H LYS A 87 -10.542 3.895 -7.814 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.947 5.178 -5.771 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.044 6.365 -7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.555 4.922 -8.333 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.848 6.407 -8.529 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.668 7.700 -8.457 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.494 5.893 -10.245 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.199 5.761 -10.627 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.765 8.445 -10.390 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.904 7.575 -11.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.672 9.188 -11.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.316 7.617 -11.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.181 8.460 -10.208 1.00 0.00 H new ATOM 1260 N ARG A 88 -11.959 6.060 -6.149 1.00 0.00 N ATOM 1261 CA ARG A 88 -13.005 6.958 -5.691 1.00 0.00 C ATOM 1262 C ARG A 88 -13.001 7.042 -4.163 1.00 0.00 C ATOM 1263 O ARG A 88 -13.459 8.029 -3.591 1.00 0.00 O ATOM 1264 CB ARG A 88 -14.381 6.487 -6.164 1.00 0.00 C ATOM 1265 CG ARG A 88 -14.939 5.403 -5.239 1.00 0.00 C ATOM 1266 CD ARG A 88 -14.211 4.074 -5.451 1.00 0.00 C ATOM 1267 NE ARG A 88 -15.151 2.947 -5.262 1.00 0.00 N ATOM 1268 CZ ARG A 88 -16.267 2.761 -5.997 1.00 0.00 C ATOM 1269 NH1 ARG A 88 -16.593 3.628 -6.979 1.00 0.00 N ATOM 1270 NH2 ARG A 88 -17.035 1.718 -5.742 1.00 0.00 N ATOM 0 H ARG A 88 -12.295 5.191 -6.564 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.805 7.943 -6.114 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.068 7.333 -6.194 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.307 6.100 -7.180 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.835 5.717 -4.200 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -16.005 5.272 -5.427 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.785 4.039 -6.454 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.381 3.988 -4.749 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.942 2.268 -4.530 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.994 4.431 -7.170 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.439 3.480 -7.530 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -16.781 1.067 -4.999 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.882 1.563 -6.288 1.00 0.00 H new ATOM 1280 N LEU A 89 -12.475 5.993 -3.546 1.00 0.00 N ATOM 1281 CA LEU A 89 -12.406 5.936 -2.096 1.00 0.00 C ATOM 1282 C LEU A 89 -11.492 7.054 -1.590 1.00 0.00 C ATOM 1283 O LEU A 89 -11.833 7.758 -0.641 1.00 0.00 O ATOM 1284 CB LEU A 89 -11.982 4.540 -1.634 1.00 0.00 C ATOM 1285 CG LEU A 89 -13.093 3.662 -1.053 1.00 0.00 C ATOM 1286 CD1 LEU A 89 -12.516 2.379 -0.451 1.00 0.00 C ATOM 1287 CD2 LEU A 89 -13.937 4.441 -0.043 1.00 0.00 C ATOM 0 H LEU A 89 -12.093 5.177 -4.024 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.391 6.105 -1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.538 4.017 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.201 4.649 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.757 3.367 -1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.325 1.772 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.994 1.817 -1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.818 2.633 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.719 3.794 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.302 4.785 0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.393 5.300 -0.535 1.00 0.00 H new ATOM 1298 N PHE A 90 -10.347 7.183 -2.247 1.00 0.00 N ATOM 1299 CA PHE A 90 -9.382 8.203 -1.875 1.00 0.00 C ATOM 1300 C PHE A 90 -9.701 9.534 -2.559 1.00 0.00 C ATOM 1301 O PHE A 90 -9.294 10.593 -2.083 1.00 0.00 O ATOM 1302 CB PHE A 90 -8.012 7.715 -2.349 1.00 0.00 C ATOM 1303 CG PHE A 90 -7.708 6.261 -1.983 1.00 0.00 C ATOM 1304 CD1 PHE A 90 -8.122 5.254 -2.796 1.00 0.00 C ATOM 1305 CD2 PHE A 90 -7.022 5.977 -0.843 1.00 0.00 C ATOM 1306 CE1 PHE A 90 -7.840 3.904 -2.456 1.00 0.00 C ATOM 1307 CE2 PHE A 90 -6.740 4.627 -0.502 1.00 0.00 C ATOM 1308 CZ PHE A 90 -7.155 3.619 -1.316 1.00 0.00 C ATOM 0 H PHE A 90 -10.067 6.598 -3.034 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.406 8.364 -0.797 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -7.953 7.826 -3.432 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.241 8.356 -1.920 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.666 5.480 -3.701 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.692 6.777 -0.198 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.169 3.104 -3.103 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.196 4.401 0.403 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.941 2.593 -1.057 1.00 0.00 H new ATOM 1317 N ASP A 91 -10.425 9.437 -3.664 1.00 0.00 N ATOM 1318 CA ASP A 91 -10.803 10.621 -4.417 1.00 0.00 C ATOM 1319 C ASP A 91 -11.858 11.405 -3.633 1.00 0.00 C ATOM 1320 O ASP A 91 -11.887 12.633 -3.684 1.00 0.00 O ATOM 1321 CB ASP A 91 -11.407 10.242 -5.771 1.00 0.00 C ATOM 1322 CG ASP A 91 -10.719 10.872 -6.984 1.00 0.00 C ATOM 1323 OD1 ASP A 91 -9.629 10.444 -7.394 1.00 0.00 O ATOM 1324 OD2 ASP A 91 -11.356 11.855 -7.522 1.00 0.00 O ATOM 0 H ASP A 91 -10.760 8.557 -4.056 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.906 11.220 -4.576 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.374 9.158 -5.876 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.458 10.531 -5.777 1.00 0.00 H new ATOM 1329 N MET A 92 -12.696 10.662 -2.925 1.00 0.00 N ATOM 1330 CA MET A 92 -13.749 11.272 -2.131 1.00 0.00 C ATOM 1331 C MET A 92 -13.219 11.716 -0.767 1.00 0.00 C ATOM 1332 O MET A 92 -13.632 12.750 -0.243 1.00 0.00 O ATOM 1333 CB MET A 92 -14.887 10.268 -1.935 1.00 0.00 C ATOM 1334 CG MET A 92 -16.015 10.876 -1.098 1.00 0.00 C ATOM 1335 SD MET A 92 -17.359 9.712 -0.950 1.00 0.00 S ATOM 1336 CE MET A 92 -18.748 10.829 -1.044 1.00 0.00 C ATOM 0 H MET A 92 -12.667 9.643 -2.885 1.00 0.00 H new ATOM 0 HA MET A 92 -14.116 12.151 -2.661 1.00 0.00 H new ATOM 0 HB2 MET A 92 -15.275 9.959 -2.905 1.00 0.00 H new ATOM 0 HB3 MET A 92 -14.506 9.373 -1.444 1.00 0.00 H new ATOM 0 HG2 MET A 92 -15.642 11.142 -0.109 1.00 0.00 H new ATOM 0 HG3 MET A 92 -16.369 11.796 -1.563 1.00 0.00 H new ATOM 0 HE1 MET A 92 -19.676 10.263 -0.967 1.00 0.00 H new ATOM 0 HE2 MET A 92 -18.693 11.548 -0.227 1.00 0.00 H new ATOM 0 HE3 MET A 92 -18.725 11.359 -1.996 1.00 0.00 H new ATOM 1344 N SER A 93 -12.311 10.914 -0.230 1.00 0.00 N ATOM 1345 CA SER A 93 -11.720 11.211 1.064 1.00 0.00 C ATOM 1346 C SER A 93 -10.865 12.477 0.969 1.00 0.00 C ATOM 1347 O SER A 93 -10.704 13.197 1.954 1.00 0.00 O ATOM 1348 CB SER A 93 -10.877 10.038 1.568 1.00 0.00 C ATOM 1349 OG SER A 93 -11.018 9.844 2.972 1.00 0.00 O ATOM 0 H SER A 93 -11.970 10.058 -0.668 1.00 0.00 H new ATOM 0 HA SER A 93 -12.526 11.376 1.779 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.172 9.128 1.045 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.828 10.217 1.330 1.00 0.00 H new ATOM 0 HG SER A 93 -10.466 9.085 3.254 1.00 0.00 H new ATOM 1354 N GLY A 94 -10.338 12.710 -0.224 1.00 0.00 N ATOM 1355 CA GLY A 94 -9.504 13.875 -0.460 1.00 0.00 C ATOM 1356 C GLY A 94 -8.159 13.742 0.259 1.00 0.00 C ATOM 1357 O GLY A 94 -7.397 14.703 0.340 1.00 0.00 O ATOM 0 H GLY A 94 -10.473 12.111 -1.038 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.338 13.997 -1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.019 14.771 -0.113 1.00 0.00 H new ATOM 1361 N LEU A 95 -7.911 12.541 0.761 1.00 0.00 N ATOM 1362 CA LEU A 95 -6.671 12.269 1.470 1.00 0.00 C ATOM 1363 C LEU A 95 -5.763 11.410 0.588 1.00 0.00 C ATOM 1364 O LEU A 95 -4.731 10.921 1.046 1.00 0.00 O ATOM 1365 CB LEU A 95 -6.962 11.650 2.839 1.00 0.00 C ATOM 1366 CG LEU A 95 -5.929 11.927 3.933 1.00 0.00 C ATOM 1367 CD1 LEU A 95 -5.377 13.349 3.820 1.00 0.00 C ATOM 1368 CD2 LEU A 95 -6.510 11.645 5.320 1.00 0.00 C ATOM 0 H LEU A 95 -8.546 11.746 0.691 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.136 13.197 1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.931 12.013 3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.051 10.571 2.716 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.090 11.245 3.791 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.645 13.519 4.610 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.899 13.478 2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.193 14.065 3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.755 11.850 6.079 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.377 12.284 5.488 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.813 10.600 5.382 1.00 0.00 H new ATOM 1379 N PHE A 96 -6.178 11.254 -0.660 1.00 0.00 N ATOM 1380 CA PHE A 96 -5.414 10.463 -1.610 1.00 0.00 C ATOM 1381 C PHE A 96 -3.939 10.870 -1.600 1.00 0.00 C ATOM 1382 O PHE A 96 -3.057 10.025 -1.750 1.00 0.00 O ATOM 1383 CB PHE A 96 -5.998 10.742 -2.996 1.00 0.00 C ATOM 1384 CG PHE A 96 -6.271 9.483 -3.821 1.00 0.00 C ATOM 1385 CD1 PHE A 96 -5.617 8.326 -3.532 1.00 0.00 C ATOM 1386 CD2 PHE A 96 -7.166 9.520 -4.844 1.00 0.00 C ATOM 1387 CE1 PHE A 96 -5.869 7.157 -4.297 1.00 0.00 C ATOM 1388 CE2 PHE A 96 -7.419 8.352 -5.610 1.00 0.00 C ATOM 1389 CZ PHE A 96 -6.765 7.195 -5.320 1.00 0.00 C ATOM 0 H PHE A 96 -7.034 11.662 -1.036 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.474 9.407 -1.348 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.929 11.298 -2.882 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.309 11.383 -3.547 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -4.906 8.297 -2.720 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.685 10.439 -5.074 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.350 6.238 -4.067 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.130 8.382 -6.422 1.00 0.00 H new ATOM 0 HZ PHE A 96 -6.957 6.306 -5.902 1.00 0.00 H new ATOM 1398 N LYS A 97 -3.716 12.164 -1.422 1.00 0.00 N ATOM 1399 CA LYS A 97 -2.363 12.692 -1.391 1.00 0.00 C ATOM 1400 C LYS A 97 -1.603 12.067 -0.219 1.00 0.00 C ATOM 1401 O LYS A 97 -0.373 12.044 -0.214 1.00 0.00 O ATOM 1402 CB LYS A 97 -2.386 14.222 -1.363 1.00 0.00 C ATOM 1403 CG LYS A 97 -3.370 14.775 -2.395 1.00 0.00 C ATOM 1404 CD LYS A 97 -4.363 15.740 -1.744 1.00 0.00 C ATOM 1405 CE LYS A 97 -5.317 16.329 -2.784 1.00 0.00 C ATOM 1406 NZ LYS A 97 -5.379 17.802 -2.656 1.00 0.00 N ATOM 0 H LYS A 97 -4.449 12.862 -1.298 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.827 12.420 -2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.666 14.567 -0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.387 14.608 -1.565 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.823 15.289 -3.185 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.911 13.953 -2.864 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.934 15.217 -0.977 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.821 16.544 -1.246 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.984 16.059 -3.786 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.313 15.905 -2.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.031 18.185 -3.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.719 18.054 -1.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.431 18.203 -2.802 1.00 0.00 H new ATOM 1415 N ILE A 98 -2.366 11.575 0.745 1.00 0.00 N ATOM 1416 CA ILE A 98 -1.780 10.951 1.919 1.00 0.00 C ATOM 1417 C ILE A 98 -1.420 9.500 1.594 1.00 0.00 C ATOM 1418 O ILE A 98 -0.704 8.849 2.354 1.00 0.00 O ATOM 1419 CB ILE A 98 -2.710 11.099 3.125 1.00 0.00 C ATOM 1420 CG1 ILE A 98 -1.975 11.725 4.312 1.00 0.00 C ATOM 1421 CG2 ILE A 98 -3.351 9.759 3.490 1.00 0.00 C ATOM 1422 CD1 ILE A 98 -1.940 10.766 5.503 1.00 0.00 C ATOM 0 H ILE A 98 -3.386 11.596 0.737 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.854 11.455 2.196 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.517 11.779 2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -0.958 11.984 4.019 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.469 12.653 4.602 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.007 9.892 4.350 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.932 9.391 2.644 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.572 9.038 3.736 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.412 11.236 6.333 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.959 10.529 5.809 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.424 9.849 5.217 1.00 0.00 H new ATOM 1433 N ILE A 99 -1.932 9.036 0.464 1.00 0.00 N ATOM 1434 CA ILE A 99 -1.673 7.674 0.029 1.00 0.00 C ATOM 1435 C ILE A 99 -0.913 7.703 -1.298 1.00 0.00 C ATOM 1436 O ILE A 99 -0.400 6.679 -1.746 1.00 0.00 O ATOM 1437 CB ILE A 99 -2.975 6.872 -0.025 1.00 0.00 C ATOM 1438 CG1 ILE A 99 -3.543 6.654 1.379 1.00 0.00 C ATOM 1439 CG2 ILE A 99 -2.776 5.553 -0.774 1.00 0.00 C ATOM 1440 CD1 ILE A 99 -2.543 5.909 2.266 1.00 0.00 C ATOM 0 H ILE A 99 -2.525 9.579 -0.164 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.038 7.158 0.749 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.710 7.451 -0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.788 7.616 1.829 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.471 6.086 1.315 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -3.717 5.003 -0.798 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.450 5.759 -1.794 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.019 4.956 -0.265 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.972 5.767 3.258 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.319 4.938 1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.625 6.491 2.347 1.00 0.00 H new ATOM 1451 N ARG A 100 -0.865 8.887 -1.890 1.00 0.00 N ATOM 1452 CA ARG A 100 -0.176 9.063 -3.158 1.00 0.00 C ATOM 1453 C ARG A 100 -0.313 7.803 -4.015 1.00 0.00 C ATOM 1454 O ARG A 100 0.572 6.949 -4.016 1.00 0.00 O ATOM 1455 CB ARG A 100 1.308 9.364 -2.941 1.00 0.00 C ATOM 1456 CG ARG A 100 2.004 9.677 -4.267 1.00 0.00 C ATOM 1457 CD ARG A 100 2.716 11.030 -4.207 1.00 0.00 C ATOM 1458 NE ARG A 100 3.999 10.895 -3.483 1.00 0.00 N ATOM 1459 CZ ARG A 100 4.928 11.871 -3.398 1.00 0.00 C ATOM 1460 NH1 ARG A 100 4.722 13.066 -3.994 1.00 0.00 N ATOM 1461 NH2 ARG A 100 6.039 11.641 -2.725 1.00 0.00 N ATOM 0 H ARG A 100 -1.292 9.734 -1.515 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.635 9.908 -3.671 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.416 10.209 -2.261 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.790 8.510 -2.466 1.00 0.00 H new ATOM 0 HG2 ARG A 100 2.725 8.893 -4.497 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.271 9.683 -5.074 1.00 0.00 H new ATOM 0 HD2 ARG A 100 2.896 11.401 -5.216 1.00 0.00 H new ATOM 0 HD3 ARG A 100 2.082 11.762 -3.707 1.00 0.00 H new ATOM 0 HE ARG A 100 4.194 10.008 -3.018 1.00 0.00 H new ATOM 0 HH11 ARG A 100 3.860 13.235 -4.512 1.00 0.00 H new ATOM 0 HH12 ARG A 100 5.428 13.799 -3.925 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.186 10.736 -2.278 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.751 12.368 -2.652 1.00 0.00 H new ATOM 1471 N PHE A 101 -1.430 7.727 -4.725 1.00 0.00 N ATOM 1472 CA PHE A 101 -1.694 6.587 -5.585 1.00 0.00 C ATOM 1473 C PHE A 101 -1.464 6.943 -7.055 1.00 0.00 C ATOM 1474 O PHE A 101 -1.242 8.107 -7.388 1.00 0.00 O ATOM 1475 CB PHE A 101 -3.163 6.209 -5.388 1.00 0.00 C ATOM 1476 CG PHE A 101 -3.401 4.709 -5.206 1.00 0.00 C ATOM 1477 CD1 PHE A 101 -3.479 3.896 -6.294 1.00 0.00 C ATOM 1478 CD2 PHE A 101 -3.533 4.187 -3.957 1.00 0.00 C ATOM 1479 CE1 PHE A 101 -3.700 2.503 -6.125 1.00 0.00 C ATOM 1480 CE2 PHE A 101 -3.754 2.795 -3.789 1.00 0.00 C ATOM 1481 CZ PHE A 101 -3.832 1.982 -4.876 1.00 0.00 C ATOM 0 H PHE A 101 -2.162 8.437 -4.722 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.024 5.766 -5.329 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.549 6.736 -4.516 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.735 6.555 -6.249 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.373 4.310 -7.286 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.470 4.832 -3.093 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.763 1.858 -6.989 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.860 2.381 -2.797 1.00 0.00 H new ATOM 0 HZ PHE A 101 -3.999 0.923 -4.747 1.00 0.00 H new ATOM 1490 N GLU A 102 -1.526 5.922 -7.896 1.00 0.00 N ATOM 1491 CA GLU A 102 -1.327 6.112 -9.323 1.00 0.00 C ATOM 1492 C GLU A 102 -2.220 5.155 -10.116 1.00 0.00 C ATOM 1493 O GLU A 102 -3.348 4.877 -9.714 1.00 0.00 O ATOM 1494 CB GLU A 102 0.144 5.930 -9.701 1.00 0.00 C ATOM 1495 CG GLU A 102 0.590 7.003 -10.697 1.00 0.00 C ATOM 1496 CD GLU A 102 -0.492 7.261 -11.747 1.00 0.00 C ATOM 1497 OE1 GLU A 102 -0.574 6.530 -12.745 1.00 0.00 O ATOM 1498 OE2 GLU A 102 -1.266 8.261 -11.497 1.00 0.00 O ATOM 0 H GLU A 102 -1.712 4.959 -7.616 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.609 7.134 -9.576 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.763 5.981 -8.805 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.292 4.941 -10.135 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.813 7.928 -10.165 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.511 6.688 -11.188 1.00 0.00 H new ATOM 1504 N GLN A 103 -1.680 4.678 -11.228 1.00 0.00 N ATOM 1505 CA GLN A 103 -2.413 3.758 -12.080 1.00 0.00 C ATOM 1506 C GLN A 103 -1.442 2.890 -12.884 1.00 0.00 C ATOM 1507 O GLN A 103 -1.000 3.283 -13.962 1.00 0.00 O ATOM 1508 CB GLN A 103 -3.368 4.513 -13.007 1.00 0.00 C ATOM 1509 CG GLN A 103 -4.333 5.388 -12.204 1.00 0.00 C ATOM 1510 CD GLN A 103 -5.317 6.109 -13.127 1.00 0.00 C ATOM 1511 OE1 GLN A 103 -4.973 6.579 -14.199 1.00 0.00 O ATOM 1512 NE2 GLN A 103 -6.559 6.168 -12.653 1.00 0.00 N ATOM 0 H GLN A 103 -0.744 4.912 -11.558 1.00 0.00 H new ATOM 0 HA GLN A 103 -3.013 3.106 -11.445 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.796 5.134 -13.697 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.932 3.802 -13.611 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.882 4.772 -11.492 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -3.770 6.119 -11.625 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -6.779 5.754 -11.747 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -7.291 6.627 -13.195 1.00 0.00 H new ATOM 1519 N SER A 104 -1.138 1.728 -12.327 1.00 0.00 N ATOM 1520 CA SER A 104 -0.227 0.801 -12.978 1.00 0.00 C ATOM 1521 C SER A 104 1.059 1.527 -13.378 1.00 0.00 C ATOM 1522 O SER A 104 2.139 1.199 -12.888 1.00 0.00 O ATOM 1523 CB SER A 104 -0.878 0.159 -14.204 1.00 0.00 C ATOM 1524 OG SER A 104 0.075 -0.508 -15.027 1.00 0.00 O ATOM 0 H SER A 104 -1.506 1.406 -11.432 1.00 0.00 H new ATOM 0 HA SER A 104 0.016 0.007 -12.272 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.638 -0.552 -13.880 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.387 0.926 -14.788 1.00 0.00 H new ATOM 0 HG SER A 104 -0.380 -0.906 -15.798 1.00 0.00 H new ATOM 1529 N GLU A 105 0.901 2.498 -14.265 1.00 0.00 N ATOM 1530 CA GLU A 105 2.037 3.273 -14.736 1.00 0.00 C ATOM 1531 C GLU A 105 3.043 3.485 -13.603 1.00 0.00 C ATOM 1532 O GLU A 105 4.244 3.590 -13.845 1.00 0.00 O ATOM 1533 CB GLU A 105 1.583 4.610 -15.324 1.00 0.00 C ATOM 1534 CG GLU A 105 2.773 5.406 -15.862 1.00 0.00 C ATOM 1535 CD GLU A 105 2.413 6.115 -17.169 1.00 0.00 C ATOM 1536 OE1 GLU A 105 2.379 5.477 -18.232 1.00 0.00 O ATOM 1537 OE2 GLU A 105 2.162 7.376 -17.054 1.00 0.00 O ATOM 0 H GLU A 105 0.004 2.766 -14.670 1.00 0.00 H new ATOM 0 HA GLU A 105 2.529 2.712 -15.531 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.867 4.434 -16.126 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.068 5.191 -14.559 1.00 0.00 H new ATOM 0 HG2 GLU A 105 3.089 6.140 -15.121 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.617 4.737 -16.028 1.00 0.00 H new ATOM 1543 N GLN A 106 2.514 3.542 -12.389 1.00 0.00 N ATOM 1544 CA GLN A 106 3.350 3.739 -11.217 1.00 0.00 C ATOM 1545 C GLN A 106 4.217 2.503 -10.969 1.00 0.00 C ATOM 1546 O GLN A 106 5.168 2.554 -10.191 1.00 0.00 O ATOM 1547 CB GLN A 106 2.501 4.071 -9.988 1.00 0.00 C ATOM 1548 CG GLN A 106 3.258 3.750 -8.697 1.00 0.00 C ATOM 1549 CD GLN A 106 2.727 4.582 -7.529 1.00 0.00 C ATOM 1550 OE1 GLN A 106 3.444 5.340 -6.897 1.00 0.00 O ATOM 1551 NE2 GLN A 106 1.433 4.400 -7.279 1.00 0.00 N ATOM 0 H GLN A 106 1.517 3.455 -12.192 1.00 0.00 H new ATOM 0 HA GLN A 106 4.008 4.588 -11.402 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.231 5.127 -10.003 1.00 0.00 H new ATOM 0 HB3 GLN A 106 1.571 3.503 -10.020 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.159 2.689 -8.467 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.321 3.948 -8.836 1.00 0.00 H new ATOM 0 HE21 GLN A 106 0.890 3.750 -7.847 1.00 0.00 H new ATOM 0 HE22 GLN A 106 0.984 4.911 -6.519 1.00 0.00 H new ATOM 1558 N GLN A 107 3.856 1.422 -11.644 1.00 0.00 N ATOM 1559 CA GLN A 107 4.589 0.174 -11.506 1.00 0.00 C ATOM 1560 C GLN A 107 6.075 0.455 -11.270 1.00 0.00 C ATOM 1561 O GLN A 107 6.752 -0.309 -10.585 1.00 0.00 O ATOM 1562 CB GLN A 107 4.387 -0.719 -12.732 1.00 0.00 C ATOM 1563 CG GLN A 107 5.374 -0.355 -13.843 1.00 0.00 C ATOM 1564 CD GLN A 107 5.010 -1.060 -15.151 1.00 0.00 C ATOM 1565 OE1 GLN A 107 4.227 -1.995 -15.186 1.00 0.00 O ATOM 1566 NE2 GLN A 107 5.621 -0.561 -16.222 1.00 0.00 N ATOM 0 H GLN A 107 3.066 1.384 -12.288 1.00 0.00 H new ATOM 0 HA GLN A 107 4.198 -0.361 -10.640 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.519 -1.764 -12.451 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.366 -0.614 -13.099 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.374 0.724 -13.995 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.384 -0.635 -13.543 1.00 0.00 H new ATOM 0 HE21 GLN A 107 6.265 0.223 -16.122 1.00 0.00 H new ATOM 0 HE22 GLN A 107 5.445 -0.963 -17.143 1.00 0.00 H new ATOM 1573 N ALA A 108 6.536 1.553 -11.851 1.00 0.00 N ATOM 1574 CA ALA A 108 7.929 1.943 -11.713 1.00 0.00 C ATOM 1575 C ALA A 108 8.097 2.772 -10.438 1.00 0.00 C ATOM 1576 O ALA A 108 8.937 2.459 -9.596 1.00 0.00 O ATOM 1577 CB ALA A 108 8.373 2.702 -12.965 1.00 0.00 C ATOM 0 H ALA A 108 5.970 2.184 -12.418 1.00 0.00 H new ATOM 0 HA ALA A 108 8.567 1.064 -11.622 1.00 0.00 H new ATOM 0 HB1 ALA A 108 9.418 2.995 -12.862 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.261 2.060 -13.839 1.00 0.00 H new ATOM 0 HB3 ALA A 108 7.757 3.593 -13.088 1.00 0.00 H new ATOM 1583 N LEU A 109 7.285 3.814 -10.336 1.00 0.00 N ATOM 1584 CA LEU A 109 7.333 4.690 -9.178 1.00 0.00 C ATOM 1585 C LEU A 109 6.937 3.901 -7.929 1.00 0.00 C ATOM 1586 O LEU A 109 7.238 4.312 -6.810 1.00 0.00 O ATOM 1587 CB LEU A 109 6.479 5.938 -9.414 1.00 0.00 C ATOM 1588 CG LEU A 109 7.232 7.270 -9.451 1.00 0.00 C ATOM 1589 CD1 LEU A 109 6.354 8.379 -10.032 1.00 0.00 C ATOM 1590 CD2 LEU A 109 7.774 7.631 -8.067 1.00 0.00 C ATOM 0 H LEU A 109 6.590 4.071 -11.037 1.00 0.00 H new ATOM 0 HA LEU A 109 8.348 5.052 -9.017 1.00 0.00 H new ATOM 0 HB2 LEU A 109 5.948 5.817 -10.358 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.725 5.992 -8.629 1.00 0.00 H new ATOM 0 HG LEU A 109 8.091 7.160 -10.113 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.913 9.315 -10.047 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.060 8.115 -11.048 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.463 8.498 -9.416 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.305 8.582 -8.121 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.946 7.717 -7.363 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.458 6.852 -7.730 1.00 0.00 H new ATOM 1601 N LEU A 110 6.268 2.781 -8.163 1.00 0.00 N ATOM 1602 CA LEU A 110 5.827 1.932 -7.071 1.00 0.00 C ATOM 1603 C LEU A 110 7.038 1.510 -6.237 1.00 0.00 C ATOM 1604 O LEU A 110 6.944 1.387 -5.017 1.00 0.00 O ATOM 1605 CB LEU A 110 5.008 0.754 -7.606 1.00 0.00 C ATOM 1606 CG LEU A 110 4.126 0.031 -6.585 1.00 0.00 C ATOM 1607 CD1 LEU A 110 2.907 0.878 -6.218 1.00 0.00 C ATOM 1608 CD2 LEU A 110 3.731 -1.358 -7.089 1.00 0.00 C ATOM 0 H LEU A 110 6.021 2.443 -9.093 1.00 0.00 H new ATOM 0 HA LEU A 110 5.159 2.481 -6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.372 1.116 -8.414 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.694 0.028 -8.042 1.00 0.00 H new ATOM 0 HG LEU A 110 4.704 -0.112 -5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.297 0.342 -5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.237 1.823 -5.787 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.317 1.074 -7.113 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.105 -1.850 -6.345 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.178 -1.262 -8.023 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.629 -1.953 -7.258 1.00 0.00 H new ATOM 1619 N THR A 111 8.149 1.300 -6.929 1.00 0.00 N ATOM 1620 CA THR A 111 9.378 0.895 -6.268 1.00 0.00 C ATOM 1621 C THR A 111 9.766 1.914 -5.195 1.00 0.00 C ATOM 1622 O THR A 111 10.719 1.699 -4.447 1.00 0.00 O ATOM 1623 CB THR A 111 10.451 0.704 -7.341 1.00 0.00 C ATOM 1624 OG1 THR A 111 10.624 -0.709 -7.411 1.00 0.00 O ATOM 1625 CG2 THR A 111 11.820 1.226 -6.900 1.00 0.00 C ATOM 0 H THR A 111 8.223 1.403 -7.941 1.00 0.00 H new ATOM 0 HA THR A 111 9.252 -0.052 -5.743 1.00 0.00 H new ATOM 0 HB THR A 111 10.146 1.214 -8.255 1.00 0.00 H new ATOM 0 HG1 THR A 111 11.303 -0.922 -8.085 1.00 0.00 H new ATOM 0 HG21 THR A 111 12.545 1.066 -7.698 1.00 0.00 H new ATOM 0 HG22 THR A 111 11.750 2.292 -6.682 1.00 0.00 H new ATOM 0 HG23 THR A 111 12.142 0.693 -6.005 1.00 0.00 H new ATOM 1633 N LEU A 112 9.007 2.999 -5.153 1.00 0.00 N ATOM 1634 CA LEU A 112 9.260 4.051 -4.183 1.00 0.00 C ATOM 1635 C LEU A 112 10.095 5.153 -4.839 1.00 0.00 C ATOM 1636 O LEU A 112 10.821 5.875 -4.157 1.00 0.00 O ATOM 1637 CB LEU A 112 9.894 3.471 -2.916 1.00 0.00 C ATOM 1638 CG LEU A 112 10.054 4.441 -1.743 1.00 0.00 C ATOM 1639 CD1 LEU A 112 9.500 3.836 -0.452 1.00 0.00 C ATOM 1640 CD2 LEU A 112 11.512 4.880 -1.591 1.00 0.00 C ATOM 0 H LEU A 112 8.217 3.172 -5.775 1.00 0.00 H new ATOM 0 HA LEU A 112 8.323 4.507 -3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 112 9.289 2.627 -2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 112 10.877 3.077 -3.173 1.00 0.00 H new ATOM 0 HG LEU A 112 9.468 5.335 -1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.626 4.546 0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.441 3.614 -0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.038 2.917 -0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.599 5.569 -0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 112 12.138 4.006 -1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.839 5.378 -2.504 1.00 0.00 H new ATOM 1651 N GLY A 113 9.965 5.247 -6.154 1.00 0.00 N ATOM 1652 CA GLY A 113 10.698 6.248 -6.909 1.00 0.00 C ATOM 1653 C GLY A 113 12.141 6.364 -6.410 1.00 0.00 C ATOM 1654 O GLY A 113 12.773 7.407 -6.569 1.00 0.00 O ATOM 0 H GLY A 113 9.362 4.646 -6.716 1.00 0.00 H new ATOM 0 HA2 GLY A 113 10.695 5.985 -7.967 1.00 0.00 H new ATOM 0 HA3 GLY A 113 10.200 7.213 -6.819 1.00 0.00 H new ATOM 1658 N VAL A 114 12.617 5.279 -5.817 1.00 0.00 N ATOM 1659 CA VAL A 114 13.972 5.245 -5.294 1.00 0.00 C ATOM 1660 C VAL A 114 14.566 3.854 -5.519 1.00 0.00 C ATOM 1661 O VAL A 114 14.743 3.090 -4.572 1.00 0.00 O ATOM 1662 CB VAL A 114 13.976 5.667 -3.824 1.00 0.00 C ATOM 1663 CG1 VAL A 114 15.289 5.275 -3.144 1.00 0.00 C ATOM 1664 CG2 VAL A 114 13.712 7.167 -3.682 1.00 0.00 C ATOM 0 H VAL A 114 12.088 4.417 -5.687 1.00 0.00 H new ATOM 0 HA VAL A 114 14.604 5.957 -5.824 1.00 0.00 H new ATOM 0 HB VAL A 114 13.167 5.136 -3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 114 15.265 5.587 -2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 114 15.418 4.194 -3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 114 16.121 5.765 -3.650 1.00 0.00 H new ATOM 0 HG21 VAL A 114 13.720 7.440 -2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 114 14.488 7.724 -4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 114 12.739 7.407 -4.111 1.00 0.00 H new ATOM 1674 N ALA A 115 14.859 3.567 -6.779 1.00 0.00 N ATOM 1675 CA ALA A 115 15.431 2.281 -7.141 1.00 0.00 C ATOM 1676 C ALA A 115 15.227 2.040 -8.638 1.00 0.00 C ATOM 1677 O ALA A 115 14.157 1.607 -9.061 1.00 0.00 O ATOM 1678 CB ALA A 115 14.800 1.183 -6.282 1.00 0.00 C ATOM 0 H ALA A 115 14.711 4.203 -7.562 1.00 0.00 H new ATOM 0 HA ALA A 115 16.504 2.270 -6.949 1.00 0.00 H new ATOM 0 HB1 ALA A 115 15.228 0.218 -6.553 1.00 0.00 H new ATOM 0 HB2 ALA A 115 14.998 1.386 -5.229 1.00 0.00 H new ATOM 0 HB3 ALA A 115 13.723 1.162 -6.451 1.00 0.00 H new ATOM 1684 N SER A 116 16.272 2.332 -9.399 1.00 0.00 N ATOM 1685 CA SER A 116 16.221 2.152 -10.840 1.00 0.00 C ATOM 1686 C SER A 116 15.131 3.040 -11.440 1.00 0.00 C ATOM 1687 O SER A 116 15.308 3.607 -12.517 1.00 0.00 O ATOM 1688 CB SER A 116 15.973 0.687 -11.204 1.00 0.00 C ATOM 1689 OG SER A 116 17.080 0.114 -11.895 1.00 0.00 O ATOM 0 H SER A 116 17.158 2.692 -9.045 1.00 0.00 H new ATOM 0 HA SER A 116 17.186 2.443 -11.255 1.00 0.00 H new ATOM 0 HB2 SER A 116 15.777 0.116 -10.296 1.00 0.00 H new ATOM 0 HB3 SER A 116 15.080 0.614 -11.825 1.00 0.00 H new ATOM 0 HG SER A 116 16.883 -0.822 -12.108 1.00 0.00 H new TER 1694 SER A 116