USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 873 hydrogens (32 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 NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 78 THR OG1 : rot -90:sc= -1.58! USER MOD Set 1.2: A 201 HEC O2D : rot 173:sc= -5.55! USER MOD Set 2.1: A 8 LYS NZ :NH3+ 165:sc= -2.68! (180deg=-3.17!) USER MOD Set 2.2: A 12 GLN : amide:sc= -0.434 K(o=-3.1,f=-5.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 176:sc= -2.87! (180deg=-2.91!) USER MOD Single : A 16 GLN : amide:sc= -0.226 X(o=-0.23,f=0.0098) USER MOD Single : A 18 HIS : no HE2:sc= -11.9! C(o=-12!,f=-15!) USER MOD Single : A 19 THR OG1 : rot -125:sc= -4.39! USER MOD Single : A 22 LYS NZ :NH3+ -123:sc= -3.39! (180deg=-7.98!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0.362 K(o=0.36,f=-3.1!) USER MOD Single : A 27 LYS NZ :NH3+ -128:sc= -0.16 (180deg=-0.718) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0351 USER MOD Single : A 31 ASN : amide:sc= -4.87! C(o=-4.9!,f=-9.3!) USER MOD Single : A 33 HIS : no HD1:sc= -0.667 X(o=-0.67,f=-0.48) USER MOD Single : A 39 LYS NZ :NH3+ 139:sc= -4.98! (180deg=-8.67!) USER MOD Single : A 40 THR OG1 : rot 39:sc= -4.3! USER MOD Single : A 42 GLN : amide:sc= -14.9! C(o=-15!,f=-18!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0382 USER MOD Single : A 52 ASN : amide:sc= -2.39! K(o=-2.4!,f=-0.83) USER MOD Single : A 53 LYS NZ :NH3+ -122:sc= -4.01! (180deg=-9.37!) USER MOD Single : A 54 ASN : amide:sc= -7.77! K(o=-7.8!,f=-3.2) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 66:sc= 0.15! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 157:sc= -3.14! (180deg=-4.57!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc=-0.00177 (180deg=-0.00177) USER MOD Single : A 73 LYS NZ :NH3+ 148:sc= -0.335 (180deg=-1.09) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 151:sc=-0.00907 (180deg=-0.249) USER MOD Single : A 80 MET CE :methyl -130:sc= -10.4! (180deg=-14.7!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -175:sc= 0.179 (180deg=0.171) USER MOD Single : A 100 LYS NZ :NH3+ -132:sc= -1.76 (180deg=-4.37!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -7.26! C(o=-7.3!,f=-7.3!) USER MOD Single : A 201 HEC O2A : rot 37:sc= 0.584! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.723 4.190 -1.238 1.00 0.00 N ATOM 2 CA GLY A 1 -17.312 4.229 -0.682 1.00 0.00 C ATOM 3 C GLY A 1 -16.834 5.625 -0.526 1.00 0.00 C ATOM 4 O GLY A 1 -16.685 6.405 -1.510 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.030 3.201 -1.336 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.365 4.690 -0.590 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.742 4.652 -2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.285 3.723 0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.641 3.685 -1.347 1.00 0.00 H new ATOM 10 N ASP A 2 -16.531 5.996 0.714 1.00 0.00 N ATOM 11 CA ASP A 2 -15.987 7.339 0.981 1.00 0.00 C ATOM 12 C ASP A 2 -14.545 7.280 1.476 1.00 0.00 C ATOM 13 O ASP A 2 -14.117 6.267 2.008 1.00 0.00 O ATOM 14 CB ASP A 2 -16.903 8.012 2.054 1.00 0.00 C ATOM 15 CG ASP A 2 -18.351 7.788 1.794 1.00 0.00 C ATOM 16 OD1 ASP A 2 -18.721 7.381 0.666 1.00 0.00 O ATOM 17 OD2 ASP A 2 -19.165 8.007 2.830 1.00 0.00 O ATOM 0 H ASP A 2 -16.646 5.407 1.538 1.00 0.00 H new ATOM 0 HA ASP A 2 -15.976 7.918 0.057 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -16.650 7.620 3.039 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -16.703 9.083 2.076 1.00 0.00 H new ATOM 22 N VAL A 3 -13.847 8.383 1.368 1.00 0.00 N ATOM 23 CA VAL A 3 -12.472 8.475 1.775 1.00 0.00 C ATOM 24 C VAL A 3 -12.337 8.218 3.382 1.00 0.00 C ATOM 25 O VAL A 3 -11.459 7.560 3.867 1.00 0.00 O ATOM 26 CB VAL A 3 -11.839 9.843 1.443 1.00 0.00 C ATOM 27 CG1 VAL A 3 -10.768 10.242 2.410 1.00 0.00 C ATOM 28 CG2 VAL A 3 -11.192 9.788 0.026 1.00 0.00 C ATOM 0 H VAL A 3 -14.225 9.252 0.990 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.937 7.708 1.215 1.00 0.00 H new ATOM 0 HB VAL A 3 -12.644 10.575 1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.362 11.212 2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.189 10.307 3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.972 9.498 2.399 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -10.745 10.754 -0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.421 9.018 0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.957 9.553 -0.714 1.00 0.00 H new ATOM 38 N GLU A 4 -13.255 8.821 4.130 1.00 0.00 N ATOM 39 CA GLU A 4 -13.308 8.740 5.595 1.00 0.00 C ATOM 40 C GLU A 4 -13.372 7.242 6.008 1.00 0.00 C ATOM 41 O GLU A 4 -12.641 6.765 6.908 1.00 0.00 O ATOM 42 CB GLU A 4 -14.405 9.502 6.212 1.00 0.00 C ATOM 43 CG GLU A 4 -14.544 9.339 7.715 1.00 0.00 C ATOM 44 CD GLU A 4 -15.873 9.871 8.220 1.00 0.00 C ATOM 45 OE1 GLU A 4 -16.656 9.009 8.724 1.00 0.00 O ATOM 46 OE2 GLU A 4 -16.144 11.074 8.133 1.00 0.00 O ATOM 0 H GLU A 4 -14.000 9.392 3.732 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.401 9.211 5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.261 10.559 5.990 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.342 9.203 5.743 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.452 8.285 7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.729 9.864 8.214 1.00 0.00 H new ATOM 53 N LYS A 5 -14.322 6.554 5.395 1.00 0.00 N ATOM 54 CA LYS A 5 -14.507 5.129 5.736 1.00 0.00 C ATOM 55 C LYS A 5 -13.283 4.297 5.374 1.00 0.00 C ATOM 56 O LYS A 5 -12.915 3.351 6.036 1.00 0.00 O ATOM 57 CB LYS A 5 -15.768 4.591 4.954 1.00 0.00 C ATOM 58 CG LYS A 5 -17.029 5.396 5.230 1.00 0.00 C ATOM 59 CD LYS A 5 -18.203 4.510 5.447 1.00 0.00 C ATOM 60 CE LYS A 5 -19.079 4.397 4.202 1.00 0.00 C ATOM 61 NZ LYS A 5 -19.200 2.994 3.724 1.00 0.00 N ATOM 0 H LYS A 5 -14.957 6.926 4.689 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.652 5.042 6.813 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.560 4.609 3.884 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.941 3.550 5.228 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.877 6.023 6.109 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.226 6.065 4.392 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.858 3.518 5.738 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.799 4.895 6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -20.071 4.791 4.421 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.660 5.014 3.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.803 2.966 2.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -18.257 2.625 3.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -19.625 2.408 4.471 1.00 0.00 H new ATOM 75 N GLY A 6 -12.684 4.660 4.247 1.00 0.00 N ATOM 76 CA GLY A 6 -11.502 3.954 3.773 1.00 0.00 C ATOM 77 C GLY A 6 -10.322 4.062 4.744 1.00 0.00 C ATOM 78 O GLY A 6 -9.621 3.077 5.028 1.00 0.00 O ATOM 0 H GLY A 6 -12.992 5.429 3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.748 2.903 3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -11.208 4.356 2.803 1.00 0.00 H new ATOM 82 N LYS A 7 -10.095 5.195 5.232 1.00 0.00 N ATOM 83 CA LYS A 7 -9.040 5.443 6.163 1.00 0.00 C ATOM 84 C LYS A 7 -9.110 4.546 7.392 1.00 0.00 C ATOM 85 O LYS A 7 -8.174 3.986 7.835 1.00 0.00 O ATOM 86 CB LYS A 7 -9.032 6.907 6.609 1.00 0.00 C ATOM 87 CG LYS A 7 -8.288 7.169 7.921 1.00 0.00 C ATOM 88 CD LYS A 7 -9.283 7.659 8.969 1.00 0.00 C ATOM 89 CE LYS A 7 -8.719 8.873 9.690 1.00 0.00 C ATOM 90 NZ LYS A 7 -9.287 10.133 9.187 1.00 0.00 N ATOM 0 H LYS A 7 -10.644 6.023 5.002 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.116 5.213 5.633 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.578 7.510 5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.062 7.246 6.717 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.798 6.258 8.264 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.506 7.913 7.768 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.229 7.915 8.493 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.491 6.864 9.685 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.922 8.786 10.757 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.636 8.892 9.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.873 10.933 9.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.072 10.231 8.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.318 10.128 9.323 1.00 0.00 H new ATOM 104 N LYS A 8 -10.200 4.448 8.007 1.00 0.00 N ATOM 105 CA LYS A 8 -10.568 3.616 9.141 1.00 0.00 C ATOM 106 C LYS A 8 -10.346 2.120 8.789 1.00 0.00 C ATOM 107 O LYS A 8 -9.873 1.355 9.597 1.00 0.00 O ATOM 108 CB LYS A 8 -12.030 3.853 9.523 1.00 0.00 C ATOM 109 CG LYS A 8 -12.743 2.624 10.048 1.00 0.00 C ATOM 110 CD LYS A 8 -13.476 1.825 8.946 1.00 0.00 C ATOM 111 CE LYS A 8 -13.853 0.450 9.463 1.00 0.00 C ATOM 112 NZ LYS A 8 -12.819 -0.544 9.173 1.00 0.00 N ATOM 0 H LYS A 8 -10.994 5.016 7.713 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.939 3.881 9.991 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -12.073 4.635 10.281 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.566 4.225 8.650 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.018 1.973 10.538 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.464 2.927 10.808 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.371 2.362 8.631 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.836 1.729 8.069 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.018 0.499 10.539 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.794 0.137 9.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.984 -1.394 9.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.853 -0.797 8.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.884 -0.149 9.399 1.00 0.00 H new ATOM 126 N ILE A 9 -10.676 1.745 7.558 1.00 0.00 N ATOM 127 CA ILE A 9 -10.503 0.382 7.084 1.00 0.00 C ATOM 128 C ILE A 9 -9.037 -0.024 7.133 1.00 0.00 C ATOM 129 O ILE A 9 -8.739 -1.120 7.630 1.00 0.00 O ATOM 130 CB ILE A 9 -11.034 0.173 5.678 1.00 0.00 C ATOM 131 CG1 ILE A 9 -12.559 -0.090 5.711 1.00 0.00 C ATOM 132 CG2 ILE A 9 -10.304 -0.932 4.956 1.00 0.00 C ATOM 133 CD1 ILE A 9 -13.142 -0.198 4.337 1.00 0.00 C ATOM 0 H ILE A 9 -11.071 2.379 6.863 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.087 -0.248 7.755 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.853 1.089 5.116 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.756 -1.010 6.261 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.054 0.717 6.252 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.717 -1.047 3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.245 -0.683 4.886 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.422 -1.866 5.506 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.214 -0.383 4.410 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.970 0.732 3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.667 -1.022 3.804 1.00 0.00 H new ATOM 145 N PHE A 10 -8.172 0.843 6.667 1.00 0.00 N ATOM 146 CA PHE A 10 -6.761 0.610 6.628 1.00 0.00 C ATOM 147 C PHE A 10 -6.176 0.531 8.046 1.00 0.00 C ATOM 148 O PHE A 10 -5.304 -0.261 8.361 1.00 0.00 O ATOM 149 CB PHE A 10 -6.041 1.696 5.875 1.00 0.00 C ATOM 150 CG PHE A 10 -4.627 1.977 6.329 1.00 0.00 C ATOM 151 CD1 PHE A 10 -3.552 1.753 5.486 1.00 0.00 C ATOM 152 CD2 PHE A 10 -4.351 2.425 7.618 1.00 0.00 C ATOM 153 CE1 PHE A 10 -2.232 1.942 5.904 1.00 0.00 C ATOM 154 CE2 PHE A 10 -3.105 2.616 8.067 1.00 0.00 C ATOM 155 CZ PHE A 10 -2.028 2.412 7.228 1.00 0.00 C ATOM 0 H PHE A 10 -8.444 1.753 6.296 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.616 -0.340 6.114 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.018 1.427 4.819 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.620 2.616 5.957 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.739 1.422 4.475 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.177 2.627 8.284 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.400 1.739 5.246 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.942 2.930 9.087 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.027 2.611 7.580 1.00 0.00 H new ATOM 165 N VAL A 11 -6.710 1.378 8.955 1.00 0.00 N ATOM 166 CA VAL A 11 -6.254 1.428 10.301 1.00 0.00 C ATOM 167 C VAL A 11 -6.240 0.050 10.952 1.00 0.00 C ATOM 168 O VAL A 11 -5.238 -0.316 11.570 1.00 0.00 O ATOM 169 CB VAL A 11 -7.167 2.387 11.183 1.00 0.00 C ATOM 170 CG1 VAL A 11 -6.826 2.259 12.659 1.00 0.00 C ATOM 171 CG2 VAL A 11 -7.011 3.840 10.687 1.00 0.00 C ATOM 0 H VAL A 11 -7.465 2.031 8.745 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.236 1.815 10.261 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.210 2.092 11.073 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.465 2.925 13.239 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.987 1.230 12.982 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.782 2.530 12.816 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.636 4.499 11.290 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.969 4.145 10.777 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.319 3.903 9.643 1.00 0.00 H new ATOM 181 N GLN A 12 -7.381 -0.771 10.780 1.00 0.00 N ATOM 182 CA GLN A 12 -7.533 -2.137 11.409 1.00 0.00 C ATOM 183 C GLN A 12 -6.946 -3.120 10.431 1.00 0.00 C ATOM 184 O GLN A 12 -5.913 -3.788 10.697 1.00 0.00 O ATOM 185 CB GLN A 12 -8.976 -2.515 11.766 1.00 0.00 C ATOM 186 CG GLN A 12 -9.970 -1.396 11.602 1.00 0.00 C ATOM 187 CD GLN A 12 -11.004 -1.339 12.688 1.00 0.00 C ATOM 188 OE1 GLN A 12 -10.825 -1.890 13.765 1.00 0.00 O ATOM 189 NE2 GLN A 12 -12.167 -0.702 12.448 1.00 0.00 N ATOM 0 H GLN A 12 -8.184 -0.493 10.215 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.015 -2.142 12.368 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.284 -3.353 11.141 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.003 -2.861 12.799 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.434 -0.448 11.574 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.472 -1.507 10.641 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.320 -0.241 11.551 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.894 -0.681 13.163 1.00 0.00 H new ATOM 198 N LYS A 13 -7.373 -2.917 9.237 1.00 0.00 N ATOM 199 CA LYS A 13 -6.793 -3.414 8.072 1.00 0.00 C ATOM 200 C LYS A 13 -5.492 -4.126 8.244 1.00 0.00 C ATOM 201 O LYS A 13 -5.294 -5.285 7.797 1.00 0.00 O ATOM 202 CB LYS A 13 -6.671 -2.302 7.007 1.00 0.00 C ATOM 203 CG LYS A 13 -7.288 -2.618 5.666 1.00 0.00 C ATOM 204 CD LYS A 13 -7.474 -4.128 5.498 1.00 0.00 C ATOM 205 CE LYS A 13 -7.822 -4.490 4.043 1.00 0.00 C ATOM 206 NZ LYS A 13 -8.054 -3.228 3.213 1.00 0.00 N ATOM 0 H LYS A 13 -8.202 -2.353 9.050 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.482 -4.188 7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.136 -1.396 7.397 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.614 -2.079 6.858 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.251 -2.116 5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.652 -2.234 4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.561 -4.644 5.795 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.267 -4.475 6.161 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.013 -5.076 3.605 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.715 -5.114 4.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.221 -3.491 2.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.883 -2.719 3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.216 -2.614 3.273 1.00 0.00 H new ATOM 220 N CYS A 14 -4.577 -3.381 8.833 1.00 0.00 N ATOM 221 CA CYS A 14 -3.171 -3.753 8.712 1.00 0.00 C ATOM 222 C CYS A 14 -2.203 -2.694 9.126 1.00 0.00 C ATOM 223 O CYS A 14 -1.058 -2.890 8.804 1.00 0.00 O ATOM 224 CB CYS A 14 -2.749 -4.704 7.455 1.00 0.00 C ATOM 225 SG CYS A 14 -3.335 -4.172 5.726 1.00 0.00 S ATOM 0 H CYS A 14 -4.765 -2.543 9.383 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.061 -4.491 9.506 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.662 -4.775 7.436 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.131 -5.707 7.647 1.00 0.00 H new ATOM 230 N ALA A 15 -2.725 -1.541 9.501 1.00 0.00 N ATOM 231 CA ALA A 15 -1.879 -0.343 9.530 1.00 0.00 C ATOM 232 C ALA A 15 -0.614 -0.578 10.433 1.00 0.00 C ATOM 233 O ALA A 15 0.476 0.016 10.174 1.00 0.00 O ATOM 234 CB ALA A 15 -2.644 0.824 10.088 1.00 0.00 C ATOM 0 H ALA A 15 -3.695 -1.400 9.782 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.568 -0.133 8.506 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.003 1.705 10.103 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.516 1.020 9.463 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.969 0.594 11.103 1.00 0.00 H new ATOM 240 N GLN A 16 -0.784 -1.458 11.386 1.00 0.00 N ATOM 241 CA GLN A 16 0.357 -1.758 12.291 1.00 0.00 C ATOM 242 C GLN A 16 1.577 -2.209 11.517 1.00 0.00 C ATOM 243 O GLN A 16 2.713 -1.905 11.883 1.00 0.00 O ATOM 244 CB GLN A 16 -0.057 -2.901 13.283 1.00 0.00 C ATOM 245 CG GLN A 16 -1.553 -2.991 13.450 1.00 0.00 C ATOM 246 CD GLN A 16 -1.952 -3.809 14.666 1.00 0.00 C ATOM 247 OE1 GLN A 16 -2.685 -4.823 14.583 1.00 0.00 O ATOM 248 NE2 GLN A 16 -1.430 -3.454 15.810 1.00 0.00 N ATOM 0 H GLN A 16 -1.646 -1.971 11.572 1.00 0.00 H new ATOM 0 HA GLN A 16 0.606 -0.845 12.831 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.325 -3.854 12.917 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.406 -2.724 14.254 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.967 -1.987 13.539 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.989 -3.437 12.556 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.835 -2.627 15.865 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.617 -4.004 16.648 1.00 0.00 H new ATOM 257 N CYS A 17 1.360 -2.936 10.381 1.00 0.00 N ATOM 258 CA CYS A 17 2.439 -3.400 9.563 1.00 0.00 C ATOM 259 C CYS A 17 2.948 -2.277 8.652 1.00 0.00 C ATOM 260 O CYS A 17 4.067 -2.352 8.144 1.00 0.00 O ATOM 261 CB CYS A 17 1.942 -4.552 8.671 1.00 0.00 C ATOM 262 SG CYS A 17 1.916 -6.059 9.546 1.00 0.00 S ATOM 0 H CYS A 17 0.434 -3.195 10.041 1.00 0.00 H new ATOM 0 HA CYS A 17 3.246 -3.734 10.215 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.942 -4.325 8.303 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.589 -4.646 7.799 1.00 0.00 H new ATOM 267 N HIS A 18 2.172 -1.241 8.484 1.00 0.00 N ATOM 268 CA HIS A 18 2.539 -0.075 7.713 1.00 0.00 C ATOM 269 C HIS A 18 2.782 1.169 8.556 1.00 0.00 C ATOM 270 O HIS A 18 2.750 2.270 8.049 1.00 0.00 O ATOM 271 CB HIS A 18 1.477 0.193 6.605 1.00 0.00 C ATOM 272 CG HIS A 18 1.179 -1.004 5.766 1.00 0.00 C ATOM 273 ND1 HIS A 18 1.316 -0.942 4.378 1.00 0.00 N ATOM 274 CD2 HIS A 18 0.795 -2.220 6.072 1.00 0.00 C ATOM 275 CE1 HIS A 18 0.960 -2.162 3.904 1.00 0.00 C ATOM 276 NE2 HIS A 18 0.659 -2.960 4.912 1.00 0.00 N ATOM 0 H HIS A 18 1.238 -1.179 8.890 1.00 0.00 H new ATOM 0 HA HIS A 18 3.499 -0.301 7.248 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.555 0.538 7.072 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.830 0.999 5.962 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.623 -0.139 3.829 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.614 -2.586 7.072 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.928 -2.439 2.861 1.00 0.00 H new ATOM 284 N THR A 19 2.957 0.939 9.874 1.00 0.00 N ATOM 285 CA THR A 19 3.227 1.994 10.801 1.00 0.00 C ATOM 286 C THR A 19 2.089 3.071 10.658 1.00 0.00 C ATOM 287 O THR A 19 1.456 3.173 9.599 1.00 0.00 O ATOM 288 CB THR A 19 4.556 2.668 10.570 1.00 0.00 C ATOM 289 OG1 THR A 19 5.560 1.640 10.633 1.00 0.00 O ATOM 290 CG2 THR A 19 4.922 3.684 11.608 1.00 0.00 C ATOM 0 H THR A 19 2.910 0.012 10.298 1.00 0.00 H new ATOM 0 HA THR A 19 3.261 1.554 11.798 1.00 0.00 H new ATOM 0 HB THR A 19 4.490 3.187 9.614 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.238 1.885 11.296 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.891 4.119 11.365 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.167 4.470 11.630 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.975 3.203 12.585 1.00 0.00 H new ATOM 298 N VAL A 20 1.953 3.874 11.678 1.00 0.00 N ATOM 299 CA VAL A 20 0.928 4.954 11.734 1.00 0.00 C ATOM 300 C VAL A 20 1.465 6.201 11.060 1.00 0.00 C ATOM 301 O VAL A 20 2.154 6.183 10.022 1.00 0.00 O ATOM 302 CB VAL A 20 0.433 5.272 13.116 1.00 0.00 C ATOM 303 CG1 VAL A 20 -0.887 6.001 13.123 1.00 0.00 C ATOM 304 CG2 VAL A 20 0.395 4.031 13.969 1.00 0.00 C ATOM 0 H VAL A 20 2.538 3.821 12.512 1.00 0.00 H new ATOM 0 HA VAL A 20 0.057 4.576 11.199 1.00 0.00 H new ATOM 0 HB VAL A 20 1.150 5.966 13.555 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.187 6.200 14.152 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.785 6.944 12.586 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.645 5.387 12.636 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.033 4.285 14.965 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.274 3.299 13.516 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.398 3.610 14.043 1.00 0.00 H new ATOM 314 N GLU A 21 1.158 7.385 11.643 1.00 0.00 N ATOM 315 CA GLU A 21 1.572 8.664 11.144 1.00 0.00 C ATOM 316 C GLU A 21 3.149 8.805 11.215 1.00 0.00 C ATOM 317 O GLU A 21 3.770 8.279 12.139 1.00 0.00 O ATOM 318 CB GLU A 21 0.923 9.789 11.864 1.00 0.00 C ATOM 319 CG GLU A 21 -0.180 9.371 12.849 1.00 0.00 C ATOM 320 CD GLU A 21 -0.877 10.490 13.523 1.00 0.00 C ATOM 321 OE1 GLU A 21 -2.020 10.299 14.035 1.00 0.00 O ATOM 322 OE2 GLU A 21 -0.259 11.571 13.611 1.00 0.00 O ATOM 0 H GLU A 21 0.600 7.449 12.494 1.00 0.00 H new ATOM 0 HA GLU A 21 1.253 8.718 10.103 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.687 10.342 12.409 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.496 10.473 11.131 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.918 8.774 12.312 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.259 8.726 13.610 1.00 0.00 H new ATOM 329 N LYS A 22 3.699 9.461 10.216 1.00 0.00 N ATOM 330 CA LYS A 22 5.171 9.657 10.182 1.00 0.00 C ATOM 331 C LYS A 22 5.671 10.269 11.511 1.00 0.00 C ATOM 332 O LYS A 22 5.235 11.316 11.917 1.00 0.00 O ATOM 333 CB LYS A 22 5.518 10.577 9.051 1.00 0.00 C ATOM 334 CG LYS A 22 7.011 10.491 8.653 1.00 0.00 C ATOM 335 CD LYS A 22 7.936 10.628 9.808 1.00 0.00 C ATOM 336 CE LYS A 22 7.675 11.940 10.555 1.00 0.00 C ATOM 337 NZ LYS A 22 8.451 12.035 11.798 1.00 0.00 N ATOM 0 H LYS A 22 3.188 9.864 9.431 1.00 0.00 H new ATOM 0 HA LYS A 22 5.652 8.689 10.041 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.900 10.334 8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.280 11.602 9.335 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.194 9.536 8.161 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.231 11.272 7.925 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.806 9.785 10.487 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.968 10.601 9.459 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.925 12.781 9.908 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.613 12.020 10.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.805 12.180 12.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.988 11.156 11.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.111 12.837 11.735 1.00 0.00 H new ATOM 351 N GLY A 23 6.541 9.539 12.187 1.00 0.00 N ATOM 352 CA GLY A 23 7.108 9.953 13.443 1.00 0.00 C ATOM 353 C GLY A 23 7.449 8.802 14.324 1.00 0.00 C ATOM 354 O GLY A 23 8.388 8.858 15.141 1.00 0.00 O ATOM 0 H GLY A 23 6.874 8.629 11.867 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.006 10.541 13.256 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.402 10.604 13.959 1.00 0.00 H new ATOM 358 N GLY A 24 6.648 7.730 14.206 1.00 0.00 N ATOM 359 CA GLY A 24 6.886 6.554 15.024 1.00 0.00 C ATOM 360 C GLY A 24 8.052 5.741 14.555 1.00 0.00 C ATOM 361 O GLY A 24 9.139 6.280 14.280 1.00 0.00 O ATOM 0 H GLY A 24 5.855 7.663 13.568 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.058 6.864 16.055 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.992 5.931 15.023 1.00 0.00 H new ATOM 365 N LYS A 25 7.856 4.434 14.399 1.00 0.00 N ATOM 366 CA LYS A 25 8.899 3.545 13.886 1.00 0.00 C ATOM 367 C LYS A 25 8.572 3.026 12.466 1.00 0.00 C ATOM 368 O LYS A 25 7.382 3.020 12.051 1.00 0.00 O ATOM 369 CB LYS A 25 9.060 2.337 14.858 1.00 0.00 C ATOM 370 CG LYS A 25 8.302 2.505 16.172 1.00 0.00 C ATOM 371 CD LYS A 25 7.819 1.153 16.671 1.00 0.00 C ATOM 372 CE LYS A 25 6.933 0.465 15.682 1.00 0.00 C ATOM 373 NZ LYS A 25 7.462 -0.881 15.329 1.00 0.00 N ATOM 0 H LYS A 25 6.979 3.963 14.622 1.00 0.00 H new ATOM 0 HA LYS A 25 9.827 4.113 13.823 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.712 1.432 14.360 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.119 2.194 15.075 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.949 2.967 16.918 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.453 3.173 16.029 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.679 0.519 16.887 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.279 1.286 17.608 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.929 0.367 16.096 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.848 1.073 14.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.827 -1.334 14.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.410 -0.783 14.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.519 -1.467 16.186 1.00 0.00 H new ATOM 387 N HIS A 26 9.574 2.627 11.731 1.00 0.00 N ATOM 388 CA HIS A 26 9.424 2.127 10.370 1.00 0.00 C ATOM 389 C HIS A 26 8.578 0.888 10.376 1.00 0.00 C ATOM 390 O HIS A 26 8.706 0.036 11.254 1.00 0.00 O ATOM 391 CB HIS A 26 10.782 1.876 9.724 1.00 0.00 C ATOM 392 CG HIS A 26 11.949 2.146 10.595 1.00 0.00 C ATOM 393 ND1 HIS A 26 12.142 1.523 11.833 1.00 0.00 N ATOM 394 CD2 HIS A 26 12.968 3.013 10.463 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.250 2.005 12.358 1.00 0.00 C ATOM 396 NE2 HIS A 26 13.750 2.900 11.546 1.00 0.00 N ATOM 0 H HIS A 26 10.540 2.636 12.057 1.00 0.00 H new ATOM 0 HA HIS A 26 8.921 2.884 9.769 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.825 0.837 9.396 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.863 2.496 8.831 1.00 0.00 H new ATOM 0 HD2 HIS A 26 13.128 3.683 9.631 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.676 1.709 13.305 1.00 0.00 H new ATOM 0 HE2 HIS A 26 14.605 3.431 11.712 1.00 0.00 H new ATOM 405 N LYS A 27 7.672 0.756 9.367 1.00 0.00 N ATOM 406 CA LYS A 27 6.831 -0.381 9.256 1.00 0.00 C ATOM 407 C LYS A 27 7.514 -1.531 8.476 1.00 0.00 C ATOM 408 O LYS A 27 8.586 -1.321 7.954 1.00 0.00 O ATOM 409 CB LYS A 27 5.535 0.011 8.546 1.00 0.00 C ATOM 410 CG LYS A 27 5.584 -0.120 7.021 1.00 0.00 C ATOM 411 CD LYS A 27 5.090 1.153 6.353 1.00 0.00 C ATOM 412 CE LYS A 27 5.485 2.378 7.102 1.00 0.00 C ATOM 413 NZ LYS A 27 6.100 3.396 6.150 1.00 0.00 N ATOM 0 H LYS A 27 7.536 1.451 8.633 1.00 0.00 H new ATOM 0 HA LYS A 27 6.620 -0.738 10.264 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.725 -0.611 8.926 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.292 1.042 8.802 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.605 -0.330 6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.971 -0.964 6.704 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.488 1.206 5.340 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.004 1.117 6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.614 2.809 7.595 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.200 2.121 7.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.021 3.706 6.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.232 2.961 5.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.467 4.217 6.064 1.00 0.00 H new ATOM 427 N THR A 28 6.832 -2.696 8.449 1.00 0.00 N ATOM 428 CA THR A 28 7.382 -3.837 7.719 1.00 0.00 C ATOM 429 C THR A 28 7.395 -3.610 6.240 1.00 0.00 C ATOM 430 O THR A 28 8.371 -3.989 5.523 1.00 0.00 O ATOM 431 CB THR A 28 6.592 -5.108 8.069 1.00 0.00 C ATOM 432 OG1 THR A 28 5.992 -4.988 9.318 1.00 0.00 O ATOM 433 CG2 THR A 28 7.386 -6.374 8.055 1.00 0.00 C ATOM 0 H THR A 28 5.936 -2.860 8.907 1.00 0.00 H new ATOM 0 HA THR A 28 8.420 -3.961 8.027 1.00 0.00 H new ATOM 0 HB THR A 28 5.852 -5.188 7.273 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.493 -5.807 9.521 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.739 -7.212 8.315 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.802 -6.532 7.060 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.197 -6.303 8.780 1.00 0.00 H new ATOM 441 N GLY A 29 6.349 -2.955 5.709 1.00 0.00 N ATOM 442 CA GLY A 29 6.287 -2.692 4.317 1.00 0.00 C ATOM 443 C GLY A 29 5.791 -1.225 4.025 1.00 0.00 C ATOM 444 O GLY A 29 5.012 -0.709 4.812 1.00 0.00 O ATOM 0 H GLY A 29 5.552 -2.611 6.245 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.272 -2.838 3.874 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.614 -3.406 3.841 1.00 0.00 H new ATOM 448 N PRO A 30 6.227 -0.663 2.893 1.00 0.00 N ATOM 449 CA PRO A 30 5.841 0.723 2.529 1.00 0.00 C ATOM 450 C PRO A 30 4.347 0.952 2.727 1.00 0.00 C ATOM 451 O PRO A 30 3.532 0.264 2.207 1.00 0.00 O ATOM 452 CB PRO A 30 6.222 0.759 1.005 1.00 0.00 C ATOM 453 CG PRO A 30 7.388 -0.141 0.878 1.00 0.00 C ATOM 454 CD PRO A 30 7.143 -1.268 1.907 1.00 0.00 C ATOM 0 HA PRO A 30 6.324 1.493 3.131 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.393 0.420 0.383 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.468 1.771 0.684 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.469 -0.541 -0.133 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.318 0.388 1.087 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.700 -2.146 1.438 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.074 -1.591 2.373 1.00 0.00 H new ATOM 462 N ASN A 31 4.036 1.953 3.542 1.00 0.00 N ATOM 463 CA ASN A 31 2.647 2.289 3.859 1.00 0.00 C ATOM 464 C ASN A 31 1.866 2.546 2.547 1.00 0.00 C ATOM 465 O ASN A 31 0.887 1.838 2.290 1.00 0.00 O ATOM 466 CB ASN A 31 2.621 3.553 4.763 1.00 0.00 C ATOM 467 CG ASN A 31 1.421 3.513 5.684 1.00 0.00 C ATOM 468 OD1 ASN A 31 0.647 2.570 5.749 1.00 0.00 O ATOM 469 ND2 ASN A 31 1.240 4.611 6.399 1.00 0.00 N ATOM 0 H ASN A 31 4.727 2.549 3.998 1.00 0.00 H new ATOM 0 HA ASN A 31 2.175 1.463 4.391 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.538 3.608 5.350 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.584 4.450 4.145 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.438 4.686 7.025 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.903 5.383 6.325 1.00 0.00 H new ATOM 476 N LEU A 32 2.299 3.550 1.749 1.00 0.00 N ATOM 477 CA LEU A 32 1.633 3.894 0.598 1.00 0.00 C ATOM 478 C LEU A 32 2.422 4.975 -0.248 1.00 0.00 C ATOM 479 O LEU A 32 2.350 5.071 -1.437 1.00 0.00 O ATOM 480 CB LEU A 32 0.199 4.350 0.669 1.00 0.00 C ATOM 481 CG LEU A 32 -0.336 5.526 1.506 1.00 0.00 C ATOM 482 CD1 LEU A 32 0.244 5.471 2.910 1.00 0.00 C ATOM 483 CD2 LEU A 32 0.059 6.811 0.818 1.00 0.00 C ATOM 0 H LEU A 32 3.130 4.110 1.939 1.00 0.00 H new ATOM 0 HA LEU A 32 1.591 2.911 0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.093 4.564 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.372 3.478 0.988 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.421 5.470 1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.140 6.307 3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.043 4.533 3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.331 5.534 2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.310 7.660 1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.145 6.866 0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.373 6.836 -0.182 1.00 0.00 H new ATOM 495 N HIS A 33 3.087 5.829 0.504 1.00 0.00 N ATOM 496 CA HIS A 33 3.889 6.954 -0.034 1.00 0.00 C ATOM 497 C HIS A 33 4.757 6.420 -1.190 1.00 0.00 C ATOM 498 O HIS A 33 5.565 5.508 -1.010 1.00 0.00 O ATOM 499 CB HIS A 33 4.723 7.579 1.002 1.00 0.00 C ATOM 500 CG HIS A 33 4.562 9.079 1.030 1.00 0.00 C ATOM 501 ND1 HIS A 33 5.557 9.919 1.538 1.00 0.00 N ATOM 502 CD2 HIS A 33 3.565 9.854 0.662 1.00 0.00 C ATOM 503 CE1 HIS A 33 5.100 11.159 1.481 1.00 0.00 C ATOM 504 NE2 HIS A 33 3.900 11.174 0.945 1.00 0.00 N ATOM 0 H HIS A 33 3.097 5.776 1.523 1.00 0.00 H new ATOM 0 HA HIS A 33 3.215 7.730 -0.397 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.459 7.168 1.976 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.769 7.330 0.824 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.640 9.521 0.215 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.635 12.032 1.825 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.324 11.997 0.770 1.00 0.00 H new ATOM 513 N GLY A 34 4.581 6.987 -2.378 1.00 0.00 N ATOM 514 CA GLY A 34 5.332 6.612 -3.522 1.00 0.00 C ATOM 515 C GLY A 34 4.915 5.256 -4.052 1.00 0.00 C ATOM 516 O GLY A 34 5.645 4.613 -4.857 1.00 0.00 O ATOM 0 H GLY A 34 3.900 7.726 -2.553 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.203 7.362 -4.302 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.392 6.593 -3.270 1.00 0.00 H new ATOM 520 N LEU A 35 3.732 4.792 -3.694 1.00 0.00 N ATOM 521 CA LEU A 35 3.247 3.505 -4.082 1.00 0.00 C ATOM 522 C LEU A 35 3.048 3.452 -5.611 1.00 0.00 C ATOM 523 O LEU A 35 3.518 2.498 -6.271 1.00 0.00 O ATOM 524 CB LEU A 35 1.909 3.225 -3.432 1.00 0.00 C ATOM 525 CG LEU A 35 1.340 1.786 -3.673 1.00 0.00 C ATOM 526 CD1 LEU A 35 2.332 0.731 -3.294 1.00 0.00 C ATOM 527 CD2 LEU A 35 0.019 1.602 -2.927 1.00 0.00 C ATOM 0 H LEU A 35 3.078 5.318 -3.114 1.00 0.00 H new ATOM 0 HA LEU A 35 3.980 2.763 -3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.004 3.386 -2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.185 3.951 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 35 1.147 1.674 -4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.902 -0.254 -3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.235 0.849 -3.893 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.582 0.829 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.363 0.597 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.182 1.744 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.706 2.334 -3.284 1.00 0.00 H new ATOM 539 N PHE A 36 2.430 4.509 -6.191 1.00 0.00 N ATOM 540 CA PHE A 36 2.212 4.611 -7.581 1.00 0.00 C ATOM 541 C PHE A 36 3.080 5.672 -8.206 1.00 0.00 C ATOM 542 O PHE A 36 2.861 6.095 -9.341 1.00 0.00 O ATOM 543 CB PHE A 36 0.733 4.867 -7.890 1.00 0.00 C ATOM 544 CG PHE A 36 -0.233 4.361 -6.833 1.00 0.00 C ATOM 545 CD1 PHE A 36 -0.786 3.118 -6.980 1.00 0.00 C ATOM 546 CD2 PHE A 36 -0.528 5.130 -5.718 1.00 0.00 C ATOM 547 CE1 PHE A 36 -1.652 2.631 -5.983 1.00 0.00 C ATOM 548 CE2 PHE A 36 -1.358 4.655 -4.743 1.00 0.00 C ATOM 549 CZ PHE A 36 -1.965 3.413 -4.876 1.00 0.00 C ATOM 0 H PHE A 36 2.078 5.307 -5.662 1.00 0.00 H new ATOM 0 HA PHE A 36 2.493 3.655 -8.022 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.583 5.939 -8.017 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.488 4.396 -8.842 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.561 2.518 -7.850 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.097 6.115 -5.619 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.077 1.643 -6.078 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.544 5.250 -3.861 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.667 3.061 -4.134 1.00 0.00 H new ATOM 559 N GLY A 37 4.077 6.135 -7.473 1.00 0.00 N ATOM 560 CA GLY A 37 4.969 7.159 -7.928 1.00 0.00 C ATOM 561 C GLY A 37 6.425 6.739 -7.868 1.00 0.00 C ATOM 562 O GLY A 37 7.211 7.074 -8.756 1.00 0.00 O ATOM 0 H GLY A 37 4.283 5.798 -6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.715 7.427 -8.954 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.828 8.053 -7.321 1.00 0.00 H new ATOM 566 N ARG A 38 6.792 6.044 -6.830 1.00 0.00 N ATOM 567 CA ARG A 38 8.207 5.596 -6.639 1.00 0.00 C ATOM 568 C ARG A 38 8.371 4.193 -7.275 1.00 0.00 C ATOM 569 O ARG A 38 7.381 3.546 -7.664 1.00 0.00 O ATOM 570 CB ARG A 38 8.510 5.496 -5.140 1.00 0.00 C ATOM 571 CG ARG A 38 8.639 6.847 -4.466 1.00 0.00 C ATOM 572 CD ARG A 38 9.282 6.777 -3.123 1.00 0.00 C ATOM 573 NE ARG A 38 10.424 7.729 -3.053 1.00 0.00 N ATOM 574 CZ ARG A 38 10.285 9.030 -3.336 1.00 0.00 C ATOM 575 NH1 ARG A 38 9.125 9.542 -3.690 1.00 0.00 N ATOM 576 NH2 ARG A 38 11.337 9.812 -3.197 1.00 0.00 N ATOM 0 H ARG A 38 6.157 5.758 -6.085 1.00 0.00 H new ATOM 0 HA ARG A 38 8.888 6.308 -7.105 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.717 4.928 -4.653 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.435 4.937 -4.999 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.221 7.510 -5.106 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.649 7.291 -4.364 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.552 7.015 -2.349 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.632 5.763 -2.931 1.00 0.00 H new ATOM 0 HE ARG A 38 11.342 7.379 -2.781 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.302 8.943 -3.755 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.050 10.537 -3.900 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.225 9.421 -2.882 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.263 10.808 -3.405 1.00 0.00 H new ATOM 590 N LYS A 39 9.613 3.822 -7.373 1.00 0.00 N ATOM 591 CA LYS A 39 9.940 2.489 -8.041 1.00 0.00 C ATOM 592 C LYS A 39 9.155 1.377 -7.323 1.00 0.00 C ATOM 593 O LYS A 39 7.995 1.046 -7.688 1.00 0.00 O ATOM 594 CB LYS A 39 11.414 2.210 -8.001 1.00 0.00 C ATOM 595 CG LYS A 39 11.840 0.897 -8.676 1.00 0.00 C ATOM 596 CD LYS A 39 10.712 0.406 -9.607 1.00 0.00 C ATOM 597 CE LYS A 39 10.392 1.394 -10.703 1.00 0.00 C ATOM 598 NZ LYS A 39 9.105 1.143 -11.367 1.00 0.00 N ATOM 0 H LYS A 39 10.415 4.354 -7.035 1.00 0.00 H new ATOM 0 HA LYS A 39 9.649 2.529 -9.091 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.939 3.036 -8.481 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.737 2.189 -6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.756 1.050 -9.247 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.057 0.142 -7.921 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.003 -0.545 -10.054 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.814 0.220 -9.017 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.384 2.400 -10.283 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.187 1.367 -11.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.619 2.047 -11.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.271 0.664 -12.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.513 0.540 -10.760 1.00 0.00 H new ATOM 612 N THR A 40 9.806 0.504 -6.532 1.00 0.00 N ATOM 613 CA THR A 40 9.078 -0.409 -5.634 1.00 0.00 C ATOM 614 C THR A 40 9.781 -0.531 -4.245 1.00 0.00 C ATOM 615 O THR A 40 10.729 -1.127 -3.995 1.00 0.00 O ATOM 616 CB THR A 40 8.900 -1.819 -6.033 1.00 0.00 C ATOM 617 OG1 THR A 40 10.103 -2.519 -6.301 1.00 0.00 O ATOM 618 CG2 THR A 40 7.816 -2.169 -6.884 1.00 0.00 C ATOM 0 H THR A 40 10.821 0.412 -6.497 1.00 0.00 H new ATOM 0 HA THR A 40 8.104 0.080 -5.645 1.00 0.00 H new ATOM 0 HB THR A 40 8.522 -2.212 -5.089 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.787 -2.255 -5.651 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.836 -3.242 -7.076 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.875 -1.903 -6.402 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.905 -1.630 -7.827 1.00 0.00 H new ATOM 626 N GLY A 41 8.911 0.005 -3.310 1.00 0.00 N ATOM 627 CA GLY A 41 9.318 -0.058 -1.935 1.00 0.00 C ATOM 628 C GLY A 41 10.678 0.474 -1.634 1.00 0.00 C ATOM 629 O GLY A 41 11.407 -0.033 -0.781 1.00 0.00 O ATOM 0 H GLY A 41 8.009 0.441 -3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.593 0.493 -1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.276 -1.098 -1.611 1.00 0.00 H new ATOM 633 N GLN A 42 11.098 1.579 -2.384 1.00 0.00 N ATOM 634 CA GLN A 42 12.375 2.137 -2.163 1.00 0.00 C ATOM 635 C GLN A 42 12.323 3.399 -1.327 1.00 0.00 C ATOM 636 O GLN A 42 12.940 4.407 -1.613 1.00 0.00 O ATOM 637 CB GLN A 42 13.001 2.505 -3.508 1.00 0.00 C ATOM 638 CG GLN A 42 11.997 2.574 -4.672 1.00 0.00 C ATOM 639 CD GLN A 42 10.863 3.471 -4.387 1.00 0.00 C ATOM 640 OE1 GLN A 42 11.065 4.653 -3.995 1.00 0.00 O ATOM 641 NE2 GLN A 42 9.613 2.964 -4.532 1.00 0.00 N ATOM 0 H GLN A 42 10.543 2.038 -3.106 1.00 0.00 H new ATOM 0 HA GLN A 42 12.960 1.388 -1.628 1.00 0.00 H new ATOM 0 HB2 GLN A 42 13.497 3.471 -3.413 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.771 1.773 -3.750 1.00 0.00 H new ATOM 0 HG2 GLN A 42 12.510 2.917 -5.570 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.620 1.573 -4.882 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.486 2.004 -4.851 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.800 3.543 -4.322 1.00 0.00 H new ATOM 650 N ALA A 43 11.536 3.322 -0.239 1.00 0.00 N ATOM 651 CA ALA A 43 11.370 4.439 0.697 1.00 0.00 C ATOM 652 C ALA A 43 12.751 4.965 1.166 1.00 0.00 C ATOM 653 O ALA A 43 13.803 4.442 0.836 1.00 0.00 O ATOM 654 CB ALA A 43 10.552 4.058 1.906 1.00 0.00 C ATOM 0 H ALA A 43 11.003 2.489 0.011 1.00 0.00 H new ATOM 0 HA ALA A 43 10.835 5.221 0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.458 4.919 2.568 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.561 3.735 1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.045 3.244 2.437 1.00 0.00 H new ATOM 660 N PRO A 44 12.711 6.055 1.955 1.00 0.00 N ATOM 661 CA PRO A 44 13.972 6.705 2.459 1.00 0.00 C ATOM 662 C PRO A 44 14.502 5.928 3.680 1.00 0.00 C ATOM 663 O PRO A 44 15.179 4.874 3.511 1.00 0.00 O ATOM 664 CB PRO A 44 13.470 8.108 2.858 1.00 0.00 C ATOM 665 CG PRO A 44 12.077 7.912 3.257 1.00 0.00 C ATOM 666 CD PRO A 44 11.504 6.783 2.375 1.00 0.00 C ATOM 0 HA PRO A 44 14.792 6.731 1.742 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.061 8.521 3.676 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.547 8.807 2.025 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.013 7.646 4.312 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.506 8.831 3.125 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.819 6.143 2.931 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.951 7.177 1.522 1.00 0.00 H new ATOM 674 N GLY A 45 14.293 6.488 4.868 1.00 0.00 N ATOM 675 CA GLY A 45 14.825 5.888 6.096 1.00 0.00 C ATOM 676 C GLY A 45 14.040 4.598 6.436 1.00 0.00 C ATOM 677 O GLY A 45 14.267 4.006 7.490 1.00 0.00 O ATOM 0 H GLY A 45 13.764 7.349 5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.883 5.658 5.970 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.750 6.598 6.920 1.00 0.00 H new ATOM 681 N PHE A 46 13.149 4.209 5.562 1.00 0.00 N ATOM 682 CA PHE A 46 12.357 3.002 5.777 1.00 0.00 C ATOM 683 C PHE A 46 13.140 1.730 5.374 1.00 0.00 C ATOM 684 O PHE A 46 13.782 1.708 4.363 1.00 0.00 O ATOM 685 CB PHE A 46 11.084 3.050 5.003 1.00 0.00 C ATOM 686 CG PHE A 46 10.174 1.822 5.174 1.00 0.00 C ATOM 687 CD1 PHE A 46 9.437 1.659 6.334 1.00 0.00 C ATOM 688 CD2 PHE A 46 10.129 0.886 4.175 1.00 0.00 C ATOM 689 CE1 PHE A 46 8.635 0.564 6.483 1.00 0.00 C ATOM 690 CE2 PHE A 46 9.324 -0.225 4.345 1.00 0.00 C ATOM 691 CZ PHE A 46 8.586 -0.415 5.521 1.00 0.00 C ATOM 0 H PHE A 46 12.946 4.702 4.692 1.00 0.00 H new ATOM 0 HA PHE A 46 12.133 2.959 6.843 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.529 3.940 5.300 1.00 0.00 H new ATOM 0 HB3 PHE A 46 11.323 3.162 3.945 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.496 2.397 7.120 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.710 1.013 3.274 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.029 0.466 7.372 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.263 -0.960 3.556 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.995 -1.307 5.667 1.00 0.00 H new ATOM 701 N THR A 47 13.123 0.733 6.239 1.00 0.00 N ATOM 702 CA THR A 47 13.832 -0.525 6.003 1.00 0.00 C ATOM 703 C THR A 47 13.016 -1.401 4.985 1.00 0.00 C ATOM 704 O THR A 47 12.049 -2.028 5.371 1.00 0.00 O ATOM 705 CB THR A 47 14.065 -1.273 7.280 1.00 0.00 C ATOM 706 OG1 THR A 47 15.415 -1.730 7.393 1.00 0.00 O ATOM 707 CG2 THR A 47 13.198 -2.533 7.409 1.00 0.00 C ATOM 0 H THR A 47 12.620 0.766 7.126 1.00 0.00 H new ATOM 0 HA THR A 47 14.811 -0.298 5.581 1.00 0.00 H new ATOM 0 HB THR A 47 13.813 -0.551 8.056 1.00 0.00 H new ATOM 0 HG1 THR A 47 15.528 -2.211 8.239 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.415 -3.029 8.355 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.145 -2.255 7.378 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.418 -3.212 6.585 1.00 0.00 H new ATOM 715 N TYR A 48 13.480 -1.368 3.741 1.00 0.00 N ATOM 716 CA TYR A 48 12.791 -2.134 2.695 1.00 0.00 C ATOM 717 C TYR A 48 13.109 -3.667 2.840 1.00 0.00 C ATOM 718 O TYR A 48 14.105 -4.041 3.461 1.00 0.00 O ATOM 719 CB TYR A 48 13.240 -1.636 1.286 1.00 0.00 C ATOM 720 CG TYR A 48 14.277 -0.568 1.319 1.00 0.00 C ATOM 721 CD1 TYR A 48 15.599 -0.821 1.804 1.00 0.00 C ATOM 722 CD2 TYR A 48 14.003 0.735 0.957 1.00 0.00 C ATOM 723 CE1 TYR A 48 16.525 0.183 1.846 1.00 0.00 C ATOM 724 CE2 TYR A 48 14.927 1.756 0.969 1.00 0.00 C ATOM 725 CZ TYR A 48 16.230 1.466 1.414 1.00 0.00 C ATOM 726 OH TYR A 48 17.174 2.435 1.443 1.00 0.00 O ATOM 0 H TYR A 48 14.298 -0.842 3.433 1.00 0.00 H new ATOM 0 HA TYR A 48 11.717 -1.984 2.805 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.625 -2.484 0.719 1.00 0.00 H new ATOM 0 HB3 TYR A 48 12.367 -1.263 0.749 1.00 0.00 H new ATOM 0 HD1 TYR A 48 15.867 -1.812 2.139 1.00 0.00 H new ATOM 0 HD2 TYR A 48 12.997 0.970 0.643 1.00 0.00 H new ATOM 0 HE1 TYR A 48 17.513 -0.029 2.226 1.00 0.00 H new ATOM 0 HE2 TYR A 48 14.659 2.751 0.646 1.00 0.00 H new ATOM 0 HH TYR A 48 16.794 3.272 1.103 1.00 0.00 H new ATOM 736 N THR A 49 12.216 -4.473 2.240 1.00 0.00 N ATOM 737 CA THR A 49 12.378 -5.918 2.252 1.00 0.00 C ATOM 738 C THR A 49 13.393 -6.314 1.168 1.00 0.00 C ATOM 739 O THR A 49 13.836 -5.536 0.375 1.00 0.00 O ATOM 740 CB THR A 49 11.066 -6.628 1.951 1.00 0.00 C ATOM 741 OG1 THR A 49 10.664 -6.412 0.620 1.00 0.00 O ATOM 742 CG2 THR A 49 9.924 -6.110 2.881 1.00 0.00 C ATOM 0 H THR A 49 11.386 -4.143 1.748 1.00 0.00 H new ATOM 0 HA THR A 49 12.719 -6.212 3.245 1.00 0.00 H new ATOM 0 HB THR A 49 11.239 -7.691 2.121 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.820 -6.881 0.453 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.997 -6.633 2.645 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.190 -6.294 3.922 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.786 -5.040 2.726 1.00 0.00 H new ATOM 750 N ASP A 50 13.848 -7.591 1.172 1.00 0.00 N ATOM 751 CA ASP A 50 14.755 -8.065 0.221 1.00 0.00 C ATOM 752 C ASP A 50 14.318 -7.717 -1.244 1.00 0.00 C ATOM 753 O ASP A 50 15.085 -7.412 -2.133 1.00 0.00 O ATOM 754 CB ASP A 50 14.973 -9.560 0.341 1.00 0.00 C ATOM 755 CG ASP A 50 15.394 -10.213 -0.959 1.00 0.00 C ATOM 756 OD1 ASP A 50 16.595 -10.653 -1.079 1.00 0.00 O ATOM 757 OD2 ASP A 50 14.540 -10.357 -1.858 1.00 0.00 O ATOM 0 H ASP A 50 13.565 -8.288 1.860 1.00 0.00 H new ATOM 0 HA ASP A 50 15.695 -7.555 0.430 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.735 -9.749 1.097 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.053 -10.027 0.692 1.00 0.00 H new ATOM 762 N ALA A 51 12.969 -7.828 -1.442 1.00 0.00 N ATOM 763 CA ALA A 51 12.387 -7.527 -2.745 1.00 0.00 C ATOM 764 C ALA A 51 12.466 -6.034 -3.053 1.00 0.00 C ATOM 765 O ALA A 51 12.866 -5.629 -4.186 1.00 0.00 O ATOM 766 CB ALA A 51 10.951 -7.964 -2.812 1.00 0.00 C ATOM 0 H ALA A 51 12.301 -8.116 -0.727 1.00 0.00 H new ATOM 0 HA ALA A 51 12.966 -8.078 -3.486 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.544 -7.727 -3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.890 -9.039 -2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.376 -7.444 -2.046 1.00 0.00 H new ATOM 772 N ASN A 52 12.122 -5.183 -2.053 1.00 0.00 N ATOM 773 CA ASN A 52 12.153 -3.734 -2.226 1.00 0.00 C ATOM 774 C ASN A 52 13.595 -3.265 -2.540 1.00 0.00 C ATOM 775 O ASN A 52 13.770 -2.440 -3.439 1.00 0.00 O ATOM 776 CB ASN A 52 11.639 -3.039 -0.962 1.00 0.00 C ATOM 777 CG ASN A 52 10.180 -3.392 -0.688 1.00 0.00 C ATOM 778 OD1 ASN A 52 9.689 -3.121 0.426 1.00 0.00 O ATOM 779 ND2 ASN A 52 9.499 -3.907 -1.691 1.00 0.00 N ATOM 0 H ASN A 52 11.823 -5.488 -1.127 1.00 0.00 H new ATOM 0 HA ASN A 52 11.506 -3.468 -3.062 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.252 -3.331 -0.109 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.739 -1.959 -1.072 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.505 -4.109 -1.582 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.966 -4.104 -2.576 1.00 0.00 H new ATOM 786 N LYS A 53 14.562 -3.831 -1.859 1.00 0.00 N ATOM 787 CA LYS A 53 15.928 -3.449 -2.031 1.00 0.00 C ATOM 788 C LYS A 53 16.376 -3.792 -3.455 1.00 0.00 C ATOM 789 O LYS A 53 17.226 -3.091 -4.032 1.00 0.00 O ATOM 790 CB LYS A 53 16.833 -4.156 -1.021 1.00 0.00 C ATOM 791 CG LYS A 53 16.537 -5.671 -0.933 1.00 0.00 C ATOM 792 CD LYS A 53 17.625 -6.395 -0.111 1.00 0.00 C ATOM 793 CE LYS A 53 17.242 -6.387 1.406 1.00 0.00 C ATOM 794 NZ LYS A 53 17.056 -7.784 1.884 1.00 0.00 N ATOM 0 H LYS A 53 14.416 -4.570 -1.171 1.00 0.00 H new ATOM 0 HA LYS A 53 16.009 -2.375 -1.863 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.875 -4.007 -1.303 1.00 0.00 H new ATOM 0 HB3 LYS A 53 16.701 -3.704 -0.038 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.562 -5.829 -0.473 1.00 0.00 H new ATOM 0 HG3 LYS A 53 16.489 -6.096 -1.936 1.00 0.00 H new ATOM 0 HD2 LYS A 53 17.735 -7.421 -0.462 1.00 0.00 H new ATOM 0 HD3 LYS A 53 18.588 -5.904 -0.254 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.023 -5.895 1.986 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.326 -5.816 1.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.096 -7.895 2.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.191 -8.443 1.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.752 -7.992 2.629 1.00 0.00 H new ATOM 808 N ASN A 54 15.739 -4.833 -4.008 1.00 0.00 N ATOM 809 CA ASN A 54 16.063 -5.265 -5.367 1.00 0.00 C ATOM 810 C ASN A 54 15.374 -4.310 -6.397 1.00 0.00 C ATOM 811 O ASN A 54 15.737 -4.260 -7.561 1.00 0.00 O ATOM 812 CB ASN A 54 15.591 -6.662 -5.607 1.00 0.00 C ATOM 813 CG ASN A 54 16.201 -7.660 -4.670 1.00 0.00 C ATOM 814 OD1 ASN A 54 15.967 -8.857 -4.701 1.00 0.00 O ATOM 815 ND2 ASN A 54 17.044 -7.156 -3.747 1.00 0.00 N ATOM 0 H ASN A 54 15.013 -5.379 -3.545 1.00 0.00 H new ATOM 0 HA ASN A 54 17.146 -5.233 -5.489 1.00 0.00 H new ATOM 0 HB2 ASN A 54 14.506 -6.695 -5.506 1.00 0.00 H new ATOM 0 HB3 ASN A 54 15.825 -6.946 -6.633 1.00 0.00 H new ATOM 0 HD21 ASN A 54 17.489 -7.776 -3.071 1.00 0.00 H new ATOM 0 HD22 ASN A 54 17.237 -6.155 -3.725 1.00 0.00 H new ATOM 822 N LYS A 55 14.411 -3.512 -5.900 1.00 0.00 N ATOM 823 CA LYS A 55 13.689 -2.578 -6.718 1.00 0.00 C ATOM 824 C LYS A 55 12.732 -3.289 -7.678 1.00 0.00 C ATOM 825 O LYS A 55 12.868 -3.240 -8.873 1.00 0.00 O ATOM 826 CB LYS A 55 14.672 -1.753 -7.573 1.00 0.00 C ATOM 827 CG LYS A 55 15.400 -0.638 -6.729 1.00 0.00 C ATOM 828 CD LYS A 55 16.873 -0.597 -7.092 1.00 0.00 C ATOM 829 CE LYS A 55 17.516 -2.002 -7.148 1.00 0.00 C ATOM 830 NZ LYS A 55 18.981 -1.988 -6.937 1.00 0.00 N ATOM 0 H LYS A 55 14.128 -3.512 -4.920 1.00 0.00 H new ATOM 0 HA LYS A 55 13.121 -1.938 -6.043 1.00 0.00 H new ATOM 0 HB2 LYS A 55 15.416 -2.418 -8.013 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.132 -1.288 -8.398 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.942 0.332 -6.920 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.284 -0.841 -5.664 1.00 0.00 H new ATOM 0 HD2 LYS A 55 16.990 -0.110 -8.060 1.00 0.00 H new ATOM 0 HD3 LYS A 55 17.406 0.012 -6.362 1.00 0.00 H new ATOM 0 HE2 LYS A 55 17.054 -2.635 -6.391 1.00 0.00 H new ATOM 0 HE3 LYS A 55 17.300 -2.454 -8.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 19.348 -2.960 -6.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 19.432 -1.409 -7.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 19.193 -1.585 -6.002 1.00 0.00 H new ATOM 844 N GLY A 56 11.749 -3.970 -7.095 1.00 0.00 N ATOM 845 CA GLY A 56 10.770 -4.700 -7.863 1.00 0.00 C ATOM 846 C GLY A 56 10.118 -3.797 -8.921 1.00 0.00 C ATOM 847 O GLY A 56 10.758 -3.489 -9.910 1.00 0.00 O ATOM 0 H GLY A 56 11.617 -4.025 -6.085 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.245 -5.552 -8.349 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.004 -5.099 -7.198 1.00 0.00 H new ATOM 851 N ILE A 57 8.866 -3.427 -8.676 1.00 0.00 N ATOM 852 CA ILE A 57 8.146 -2.569 -9.568 1.00 0.00 C ATOM 853 C ILE A 57 7.070 -1.655 -8.956 1.00 0.00 C ATOM 854 O ILE A 57 6.709 -1.931 -7.745 1.00 0.00 O ATOM 855 CB ILE A 57 7.407 -3.392 -10.668 1.00 0.00 C ATOM 856 CG1 ILE A 57 7.739 -2.789 -12.053 1.00 0.00 C ATOM 857 CG2 ILE A 57 5.916 -3.360 -10.417 1.00 0.00 C ATOM 858 CD1 ILE A 57 8.026 -1.283 -11.984 1.00 0.00 C ATOM 0 H ILE A 57 8.337 -3.719 -7.854 1.00 0.00 H new ATOM 0 HA ILE A 57 8.947 -1.933 -9.945 1.00 0.00 H new ATOM 0 HB ILE A 57 7.736 -4.431 -10.641 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.605 -3.302 -12.471 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.905 -2.966 -12.732 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.405 -3.936 -11.188 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.702 -3.792 -9.439 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.565 -2.328 -10.442 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.253 -0.910 -12.983 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.151 -0.763 -11.593 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.878 -1.105 -11.328 1.00 0.00 H new ATOM 870 N THR A 58 6.602 -0.715 -9.583 1.00 0.00 N ATOM 871 CA THR A 58 5.682 0.276 -9.034 1.00 0.00 C ATOM 872 C THR A 58 4.278 -0.365 -8.964 1.00 0.00 C ATOM 873 O THR A 58 3.693 -0.653 -9.992 1.00 0.00 O ATOM 874 CB THR A 58 5.661 1.549 -9.835 1.00 0.00 C ATOM 875 OG1 THR A 58 5.836 2.685 -9.024 1.00 0.00 O ATOM 876 CG2 THR A 58 4.367 1.790 -10.528 1.00 0.00 C ATOM 0 H THR A 58 6.826 -0.548 -10.564 1.00 0.00 H new ATOM 0 HA THR A 58 6.019 0.562 -8.038 1.00 0.00 H new ATOM 0 HB THR A 58 6.473 1.412 -10.549 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.736 2.675 -8.637 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.422 2.724 -11.086 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.163 0.968 -11.215 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.566 1.854 -9.791 1.00 0.00 H new ATOM 884 N TRP A 59 3.789 -0.552 -7.749 1.00 0.00 N ATOM 885 CA TRP A 59 2.494 -1.138 -7.565 1.00 0.00 C ATOM 886 C TRP A 59 1.382 -0.145 -8.006 1.00 0.00 C ATOM 887 O TRP A 59 1.130 0.876 -7.420 1.00 0.00 O ATOM 888 CB TRP A 59 2.286 -1.379 -6.054 1.00 0.00 C ATOM 889 CG TRP A 59 3.607 -1.568 -5.307 1.00 0.00 C ATOM 890 CD1 TRP A 59 4.381 -0.528 -4.837 1.00 0.00 C ATOM 891 CD2 TRP A 59 4.273 -2.752 -4.974 1.00 0.00 C ATOM 892 NE1 TRP A 59 5.524 -1.068 -4.268 1.00 0.00 N ATOM 893 CE2 TRP A 59 5.432 -2.417 -4.282 1.00 0.00 C ATOM 894 CE3 TRP A 59 3.942 -4.099 -5.162 1.00 0.00 C ATOM 895 CZ2 TRP A 59 6.324 -3.365 -3.831 1.00 0.00 C ATOM 896 CZ3 TRP A 59 4.851 -5.068 -4.657 1.00 0.00 C ATOM 897 CH2 TRP A 59 6.003 -4.679 -4.028 1.00 0.00 C ATOM 0 H TRP A 59 4.275 -0.304 -6.887 1.00 0.00 H new ATOM 0 HA TRP A 59 2.439 -2.057 -8.149 1.00 0.00 H new ATOM 0 HB2 TRP A 59 1.747 -0.535 -5.625 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.662 -2.261 -5.912 1.00 0.00 H new ATOM 0 HD1 TRP A 59 4.139 0.523 -4.901 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.309 -0.533 -3.898 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.034 -4.390 -5.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 7.243 -3.081 -3.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.631 -6.119 -4.770 1.00 0.00 H new ATOM 0 HH2 TRP A 59 6.684 -5.439 -3.674 1.00 0.00 H new ATOM 908 N LYS A 60 0.766 -0.532 -9.100 1.00 0.00 N ATOM 909 CA LYS A 60 -0.331 0.279 -9.687 1.00 0.00 C ATOM 910 C LYS A 60 -1.699 -0.334 -9.355 1.00 0.00 C ATOM 911 O LYS A 60 -1.787 -1.414 -8.827 1.00 0.00 O ATOM 912 CB LYS A 60 -0.190 0.354 -11.246 1.00 0.00 C ATOM 913 CG LYS A 60 -1.412 -0.078 -11.991 1.00 0.00 C ATOM 914 CD LYS A 60 -2.242 1.074 -12.424 1.00 0.00 C ATOM 915 CE LYS A 60 -2.702 0.965 -13.852 1.00 0.00 C ATOM 916 NZ LYS A 60 -2.254 2.083 -14.705 1.00 0.00 N ATOM 0 H LYS A 60 0.985 -1.387 -9.611 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.261 1.279 -9.260 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.052 1.378 -11.529 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.650 -0.269 -11.554 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.116 -0.659 -12.865 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.008 -0.735 -11.358 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.113 1.152 -11.773 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.669 1.993 -12.302 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.335 0.029 -14.272 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.791 0.918 -13.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.606 1.943 -15.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.625 2.978 -14.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.215 2.116 -14.716 1.00 0.00 H new ATOM 930 N GLU A 61 -2.783 0.430 -9.669 1.00 0.00 N ATOM 931 CA GLU A 61 -4.107 -0.017 -9.414 1.00 0.00 C ATOM 932 C GLU A 61 -4.420 -1.360 -10.135 1.00 0.00 C ATOM 933 O GLU A 61 -4.812 -2.328 -9.507 1.00 0.00 O ATOM 934 CB GLU A 61 -5.148 1.062 -9.817 1.00 0.00 C ATOM 935 CG GLU A 61 -6.153 1.341 -8.712 1.00 0.00 C ATOM 936 CD GLU A 61 -7.568 1.032 -9.159 1.00 0.00 C ATOM 937 OE1 GLU A 61 -8.513 1.810 -8.812 1.00 0.00 O ATOM 938 OE2 GLU A 61 -7.763 -0.003 -9.897 1.00 0.00 O ATOM 0 H GLU A 61 -2.725 1.353 -10.098 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.179 -0.191 -8.340 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.629 1.985 -10.073 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.678 0.735 -10.712 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.908 0.741 -7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.085 2.387 -8.412 1.00 0.00 H new ATOM 945 N GLU A 62 -4.267 -1.314 -11.445 1.00 0.00 N ATOM 946 CA GLU A 62 -4.562 -2.486 -12.269 1.00 0.00 C ATOM 947 C GLU A 62 -3.613 -3.632 -11.927 1.00 0.00 C ATOM 948 O GLU A 62 -4.031 -4.785 -11.820 1.00 0.00 O ATOM 949 CB GLU A 62 -4.412 -2.164 -13.763 1.00 0.00 C ATOM 950 CG GLU A 62 -3.001 -2.322 -14.308 1.00 0.00 C ATOM 951 CD GLU A 62 -2.876 -1.856 -15.745 1.00 0.00 C ATOM 952 OE1 GLU A 62 -3.940 -1.727 -16.419 1.00 0.00 O ATOM 953 OE2 GLU A 62 -1.739 -1.586 -16.185 1.00 0.00 O ATOM 0 H GLU A 62 -3.946 -0.495 -11.961 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.592 -2.777 -12.062 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.081 -2.812 -14.329 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.741 -1.139 -13.935 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.309 -1.756 -13.685 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.705 -3.369 -14.242 1.00 0.00 H new ATOM 960 N THR A 63 -2.341 -3.335 -11.770 1.00 0.00 N ATOM 961 CA THR A 63 -1.298 -4.307 -11.459 1.00 0.00 C ATOM 962 C THR A 63 -1.583 -4.935 -10.100 1.00 0.00 C ATOM 963 O THR A 63 -1.292 -6.123 -9.840 1.00 0.00 O ATOM 964 CB THR A 63 0.099 -3.683 -11.462 1.00 0.00 C ATOM 965 OG1 THR A 63 0.973 -4.353 -12.382 1.00 0.00 O ATOM 966 CG2 THR A 63 0.791 -3.738 -10.080 1.00 0.00 C ATOM 0 H THR A 63 -1.986 -2.383 -11.857 1.00 0.00 H new ATOM 0 HA THR A 63 -1.311 -5.069 -12.238 1.00 0.00 H new ATOM 0 HB THR A 63 -0.065 -2.645 -11.752 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.857 -3.929 -12.361 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.778 -3.280 -10.149 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.189 -3.196 -9.350 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.894 -4.777 -9.766 1.00 0.00 H new ATOM 974 N LEU A 64 -2.220 -4.174 -9.200 1.00 0.00 N ATOM 975 CA LEU A 64 -2.571 -4.671 -7.880 1.00 0.00 C ATOM 976 C LEU A 64 -3.703 -5.654 -7.937 1.00 0.00 C ATOM 977 O LEU A 64 -3.783 -6.629 -7.174 1.00 0.00 O ATOM 978 CB LEU A 64 -2.999 -3.484 -6.992 1.00 0.00 C ATOM 979 CG LEU A 64 -1.913 -3.037 -5.954 1.00 0.00 C ATOM 980 CD1 LEU A 64 -2.435 -1.907 -5.124 1.00 0.00 C ATOM 981 CD2 LEU A 64 -1.527 -4.211 -5.066 1.00 0.00 C ATOM 0 H LEU A 64 -2.500 -3.208 -9.372 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.696 -5.176 -7.470 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.246 -2.636 -7.631 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.909 -3.755 -6.456 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.026 -2.698 -6.490 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.675 -1.602 -4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.682 -1.065 -5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.329 -2.230 -4.591 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.772 -3.891 -4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.408 -4.568 -4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.125 -5.016 -5.681 1.00 0.00 H new ATOM 993 N MET A 65 -4.618 -5.452 -8.919 1.00 0.00 N ATOM 994 CA MET A 65 -5.785 -6.342 -9.097 1.00 0.00 C ATOM 995 C MET A 65 -5.276 -7.759 -9.416 1.00 0.00 C ATOM 996 O MET A 65 -5.791 -8.739 -8.875 1.00 0.00 O ATOM 997 CB MET A 65 -6.665 -5.826 -10.173 1.00 0.00 C ATOM 998 CG MET A 65 -7.463 -4.602 -9.834 1.00 0.00 C ATOM 999 SD MET A 65 -8.347 -4.765 -8.218 1.00 0.00 S ATOM 1000 CE MET A 65 -7.053 -4.215 -7.077 1.00 0.00 C ATOM 0 H MET A 65 -4.568 -4.687 -9.592 1.00 0.00 H new ATOM 0 HA MET A 65 -6.378 -6.375 -8.183 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.049 -5.605 -11.045 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.356 -6.618 -10.463 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.800 -3.738 -9.797 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.189 -4.414 -10.625 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.509 -3.865 -6.151 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.383 -5.046 -6.859 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.487 -3.403 -7.533 1.00 0.00 H new ATOM 1010 N GLU A 66 -4.308 -7.832 -10.250 1.00 0.00 N ATOM 1011 CA GLU A 66 -3.752 -9.149 -10.648 1.00 0.00 C ATOM 1012 C GLU A 66 -2.811 -9.640 -9.548 1.00 0.00 C ATOM 1013 O GLU A 66 -2.730 -10.859 -9.315 1.00 0.00 O ATOM 1014 CB GLU A 66 -2.962 -8.996 -11.988 1.00 0.00 C ATOM 1015 CG GLU A 66 -2.158 -7.753 -12.113 1.00 0.00 C ATOM 1016 CD GLU A 66 -1.313 -7.727 -13.360 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -0.544 -8.658 -13.597 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -1.460 -6.716 -14.136 1.00 0.00 O ATOM 0 H GLU A 66 -3.861 -7.027 -10.688 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.559 -9.868 -10.789 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.296 -9.852 -12.098 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.671 -9.035 -12.815 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.826 -6.892 -12.115 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.513 -7.654 -11.240 1.00 0.00 H new ATOM 1025 N TYR A 67 -2.081 -8.747 -8.943 1.00 0.00 N ATOM 1026 CA TYR A 67 -1.112 -9.076 -7.867 1.00 0.00 C ATOM 1027 C TYR A 67 -1.874 -9.691 -6.683 1.00 0.00 C ATOM 1028 O TYR A 67 -1.226 -10.444 -5.925 1.00 0.00 O ATOM 1029 CB TYR A 67 -0.313 -7.827 -7.437 1.00 0.00 C ATOM 1030 CG TYR A 67 0.053 -7.850 -5.961 1.00 0.00 C ATOM 1031 CD1 TYR A 67 1.258 -8.339 -5.536 1.00 0.00 C ATOM 1032 CD2 TYR A 67 -0.880 -7.436 -4.991 1.00 0.00 C ATOM 1033 CE1 TYR A 67 1.632 -8.336 -4.183 1.00 0.00 C ATOM 1034 CE2 TYR A 67 -0.509 -7.458 -3.648 1.00 0.00 C ATOM 1035 CZ TYR A 67 0.690 -7.912 -3.257 1.00 0.00 C ATOM 1036 OH TYR A 67 1.059 -7.906 -1.909 1.00 0.00 O ATOM 0 H TYR A 67 -2.122 -7.752 -9.165 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.387 -9.800 -8.240 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.597 -7.759 -8.033 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.900 -6.933 -7.649 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.945 -8.741 -6.266 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.866 -7.107 -5.283 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.617 -8.652 -3.874 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.205 -7.100 -2.904 1.00 0.00 H new ATOM 0 HH TYR A 67 0.308 -7.586 -1.366 1.00 0.00 H new ATOM 1046 N LEU A 68 -3.131 -9.381 -6.596 1.00 0.00 N ATOM 1047 CA LEU A 68 -3.981 -9.915 -5.483 1.00 0.00 C ATOM 1048 C LEU A 68 -4.050 -11.436 -5.544 1.00 0.00 C ATOM 1049 O LEU A 68 -4.424 -12.091 -4.571 1.00 0.00 O ATOM 1050 CB LEU A 68 -5.358 -9.319 -5.573 1.00 0.00 C ATOM 1051 CG LEU A 68 -5.500 -7.939 -5.001 1.00 0.00 C ATOM 1052 CD1 LEU A 68 -6.905 -7.357 -5.337 1.00 0.00 C ATOM 1053 CD2 LEU A 68 -5.264 -7.895 -3.492 1.00 0.00 C ATOM 0 H LEU A 68 -3.620 -8.773 -7.253 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.534 -9.637 -4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.656 -9.292 -6.621 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.056 -9.980 -5.060 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.726 -7.326 -5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.994 -6.356 -4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.029 -7.308 -6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.676 -7.999 -4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.380 -6.872 -3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.988 -8.538 -2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.255 -8.244 -3.271 1.00 0.00 H new ATOM 1065 N GLU A 69 -3.679 -11.979 -6.729 1.00 0.00 N ATOM 1066 CA GLU A 69 -3.707 -13.467 -6.894 1.00 0.00 C ATOM 1067 C GLU A 69 -2.757 -14.116 -5.924 1.00 0.00 C ATOM 1068 O GLU A 69 -3.174 -14.708 -4.862 1.00 0.00 O ATOM 1069 CB GLU A 69 -3.312 -13.819 -8.328 1.00 0.00 C ATOM 1070 CG GLU A 69 -4.174 -14.846 -8.952 1.00 0.00 C ATOM 1071 CD GLU A 69 -3.814 -15.131 -10.416 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -2.766 -14.640 -10.839 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -4.534 -15.893 -11.059 1.00 0.00 O ATOM 0 H GLU A 69 -3.372 -11.452 -7.546 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.713 -13.835 -6.691 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.343 -12.915 -8.935 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.281 -14.172 -8.334 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.099 -15.771 -8.380 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.213 -14.521 -8.897 1.00 0.00 H new ATOM 1080 N ASN A 70 -1.436 -14.103 -6.237 1.00 0.00 N ATOM 1081 CA ASN A 70 -0.439 -14.748 -5.326 1.00 0.00 C ATOM 1082 C ASN A 70 0.546 -13.709 -4.802 1.00 0.00 C ATOM 1083 O ASN A 70 1.585 -13.406 -5.471 1.00 0.00 O ATOM 1084 CB ASN A 70 0.305 -15.866 -6.106 1.00 0.00 C ATOM 1085 CG ASN A 70 -0.399 -17.155 -6.117 1.00 0.00 C ATOM 1086 OD1 ASN A 70 -0.383 -17.927 -5.127 1.00 0.00 O ATOM 1087 ND2 ASN A 70 -1.062 -17.462 -7.228 1.00 0.00 N ATOM 0 H ASN A 70 -1.042 -13.674 -7.075 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.951 -15.186 -4.470 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.458 -15.538 -7.134 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.292 -16.006 -5.666 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.574 -18.342 -7.290 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.059 -16.817 -8.018 1.00 0.00 H new ATOM 1094 N PRO A 71 0.266 -13.130 -3.647 1.00 0.00 N ATOM 1095 CA PRO A 71 1.124 -12.130 -2.999 1.00 0.00 C ATOM 1096 C PRO A 71 2.613 -12.568 -2.955 1.00 0.00 C ATOM 1097 O PRO A 71 3.522 -11.774 -3.049 1.00 0.00 O ATOM 1098 CB PRO A 71 0.537 -11.995 -1.634 1.00 0.00 C ATOM 1099 CG PRO A 71 -0.857 -12.374 -1.761 1.00 0.00 C ATOM 1100 CD PRO A 71 -0.919 -13.448 -2.796 1.00 0.00 C ATOM 0 HA PRO A 71 1.144 -11.185 -3.542 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.053 -12.638 -0.922 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.632 -10.973 -1.267 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.249 -12.732 -0.809 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.465 -11.518 -2.055 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -0.850 -14.443 -2.356 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.849 -13.414 -3.363 1.00 0.00 H new ATOM 1108 N LYS A 72 2.793 -13.865 -2.804 1.00 0.00 N ATOM 1109 CA LYS A 72 4.134 -14.432 -2.695 1.00 0.00 C ATOM 1110 C LYS A 72 4.750 -14.585 -4.103 1.00 0.00 C ATOM 1111 O LYS A 72 5.975 -14.602 -4.267 1.00 0.00 O ATOM 1112 CB LYS A 72 4.130 -15.830 -2.017 1.00 0.00 C ATOM 1113 CG LYS A 72 4.567 -16.962 -2.940 1.00 0.00 C ATOM 1114 CD LYS A 72 6.079 -17.115 -2.830 1.00 0.00 C ATOM 1115 CE LYS A 72 6.731 -16.857 -4.210 1.00 0.00 C ATOM 1116 NZ LYS A 72 7.557 -18.064 -4.671 1.00 0.00 N ATOM 0 H LYS A 72 2.037 -14.547 -2.754 1.00 0.00 H new ATOM 0 HA LYS A 72 4.719 -13.749 -2.079 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.790 -15.805 -1.150 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.127 -16.042 -1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.070 -17.892 -2.662 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.282 -16.744 -3.969 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.473 -16.414 -2.094 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.328 -18.117 -2.481 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.956 -16.641 -4.946 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.371 -15.976 -4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.981 -17.861 -5.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.311 -18.253 -3.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.940 -18.898 -4.748 1.00 0.00 H new ATOM 1130 N LYS A 73 3.901 -14.660 -5.138 1.00 0.00 N ATOM 1131 CA LYS A 73 4.367 -14.759 -6.502 1.00 0.00 C ATOM 1132 C LYS A 73 5.012 -13.492 -6.992 1.00 0.00 C ATOM 1133 O LYS A 73 5.919 -13.511 -7.824 1.00 0.00 O ATOM 1134 CB LYS A 73 3.206 -15.117 -7.449 1.00 0.00 C ATOM 1135 CG LYS A 73 2.423 -13.953 -7.949 1.00 0.00 C ATOM 1136 CD LYS A 73 2.952 -13.488 -9.334 1.00 0.00 C ATOM 1137 CE LYS A 73 3.211 -14.682 -10.238 1.00 0.00 C ATOM 1138 NZ LYS A 73 2.057 -15.637 -10.236 1.00 0.00 N ATOM 0 H LYS A 73 2.886 -14.653 -5.041 1.00 0.00 H new ATOM 0 HA LYS A 73 5.119 -15.548 -6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.608 -15.660 -8.304 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.529 -15.796 -6.930 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.370 -14.224 -8.029 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.487 -13.132 -7.235 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.226 -12.822 -9.801 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.871 -12.917 -9.205 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.395 -14.336 -11.255 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.112 -15.199 -9.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.984 -16.095 -11.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.207 -16.361 -9.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.178 -15.119 -10.035 1.00 0.00 H new ATOM 1152 N TYR A 74 4.577 -12.352 -6.481 1.00 0.00 N ATOM 1153 CA TYR A 74 5.086 -11.025 -6.848 1.00 0.00 C ATOM 1154 C TYR A 74 6.368 -10.724 -6.078 1.00 0.00 C ATOM 1155 O TYR A 74 7.341 -10.287 -6.635 1.00 0.00 O ATOM 1156 CB TYR A 74 4.044 -9.960 -6.570 1.00 0.00 C ATOM 1157 CG TYR A 74 3.247 -9.613 -7.816 1.00 0.00 C ATOM 1158 CD1 TYR A 74 2.233 -10.454 -8.241 1.00 0.00 C ATOM 1159 CD2 TYR A 74 3.428 -8.389 -8.489 1.00 0.00 C ATOM 1160 CE1 TYR A 74 1.504 -10.143 -9.352 1.00 0.00 C ATOM 1161 CE2 TYR A 74 2.674 -8.065 -9.601 1.00 0.00 C ATOM 1162 CZ TYR A 74 1.701 -8.937 -10.041 1.00 0.00 C ATOM 1163 OH TYR A 74 0.945 -8.630 -11.121 1.00 0.00 O ATOM 0 H TYR A 74 3.839 -12.315 -5.778 1.00 0.00 H new ATOM 0 HA TYR A 74 5.307 -11.020 -7.915 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.367 -10.309 -5.790 1.00 0.00 H new ATOM 0 HB3 TYR A 74 4.533 -9.063 -6.190 1.00 0.00 H new ATOM 0 HD1 TYR A 74 2.018 -11.359 -7.692 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.170 -7.691 -8.130 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.760 -10.840 -9.708 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.846 -7.135 -10.122 1.00 0.00 H new ATOM 0 HH TYR A 74 1.217 -7.757 -11.473 1.00 0.00 H new ATOM 1173 N ILE A 75 6.375 -11.011 -4.778 1.00 0.00 N ATOM 1174 CA ILE A 75 7.516 -10.782 -3.906 1.00 0.00 C ATOM 1175 C ILE A 75 7.838 -11.997 -3.025 1.00 0.00 C ATOM 1176 O ILE A 75 7.497 -12.039 -1.854 1.00 0.00 O ATOM 1177 CB ILE A 75 7.321 -9.532 -3.037 1.00 0.00 C ATOM 1178 CG1 ILE A 75 7.364 -8.267 -3.850 1.00 0.00 C ATOM 1179 CG2 ILE A 75 8.401 -9.539 -1.930 1.00 0.00 C ATOM 1180 CD1 ILE A 75 8.443 -8.304 -4.939 1.00 0.00 C ATOM 0 H ILE A 75 5.572 -11.416 -4.297 1.00 0.00 H new ATOM 0 HA ILE A 75 8.370 -10.618 -4.563 1.00 0.00 H new ATOM 0 HB ILE A 75 6.330 -9.557 -2.583 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.391 -8.103 -4.313 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.549 -7.420 -3.189 1.00 0.00 H new ATOM 0 HG21 ILE A 75 8.281 -8.658 -1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.293 -10.438 -1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.391 -9.526 -2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.430 -7.367 -5.496 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.421 -8.439 -4.478 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.245 -9.133 -5.619 1.00 0.00 H new ATOM 1192 N PRO A 76 8.471 -13.030 -3.599 1.00 0.00 N ATOM 1193 CA PRO A 76 8.781 -14.264 -2.845 1.00 0.00 C ATOM 1194 C PRO A 76 9.669 -14.005 -1.677 1.00 0.00 C ATOM 1195 O PRO A 76 10.647 -13.230 -1.755 1.00 0.00 O ATOM 1196 CB PRO A 76 9.534 -15.104 -3.882 1.00 0.00 C ATOM 1197 CG PRO A 76 9.118 -14.542 -5.230 1.00 0.00 C ATOM 1198 CD PRO A 76 8.865 -13.104 -5.018 1.00 0.00 C ATOM 0 HA PRO A 76 7.887 -14.733 -2.435 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.612 -15.030 -3.741 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.273 -16.159 -3.798 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.901 -14.694 -5.973 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.224 -15.044 -5.602 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.754 -12.506 -5.220 1.00 0.00 H new ATOM 0 HD3 PRO A 76 8.077 -12.734 -5.673 1.00 0.00 H new ATOM 1206 N GLY A 77 9.336 -14.592 -0.535 1.00 0.00 N ATOM 1207 CA GLY A 77 10.116 -14.403 0.673 1.00 0.00 C ATOM 1208 C GLY A 77 9.448 -13.524 1.687 1.00 0.00 C ATOM 1209 O GLY A 77 9.773 -13.529 2.892 1.00 0.00 O ATOM 0 H GLY A 77 8.528 -15.204 -0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.315 -15.376 1.123 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.081 -13.970 0.409 1.00 0.00 H new ATOM 1213 N THR A 78 8.425 -12.762 1.231 1.00 0.00 N ATOM 1214 CA THR A 78 7.713 -11.876 2.116 1.00 0.00 C ATOM 1215 C THR A 78 6.380 -12.496 2.525 1.00 0.00 C ATOM 1216 O THR A 78 5.595 -12.923 1.680 1.00 0.00 O ATOM 1217 CB THR A 78 7.433 -10.565 1.443 1.00 0.00 C ATOM 1218 OG1 THR A 78 7.775 -9.488 2.292 1.00 0.00 O ATOM 1219 CG2 THR A 78 6.008 -10.365 0.951 1.00 0.00 C ATOM 0 H THR A 78 8.095 -12.758 0.266 1.00 0.00 H new ATOM 0 HA THR A 78 8.338 -11.713 2.994 1.00 0.00 H new ATOM 0 HB THR A 78 8.058 -10.589 0.550 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.998 -9.241 2.836 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.919 -9.385 0.482 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.762 -11.139 0.224 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.320 -10.427 1.794 1.00 0.00 H new ATOM 1227 N LYS A 79 6.132 -12.539 3.831 1.00 0.00 N ATOM 1228 CA LYS A 79 4.860 -13.128 4.377 1.00 0.00 C ATOM 1229 C LYS A 79 3.944 -12.011 4.906 1.00 0.00 C ATOM 1230 O LYS A 79 4.427 -11.058 5.532 1.00 0.00 O ATOM 1231 CB LYS A 79 5.168 -14.122 5.462 1.00 0.00 C ATOM 1232 CG LYS A 79 4.114 -15.176 5.657 1.00 0.00 C ATOM 1233 CD LYS A 79 3.495 -15.571 4.371 1.00 0.00 C ATOM 1234 CE LYS A 79 4.548 -16.028 3.356 1.00 0.00 C ATOM 1235 NZ LYS A 79 5.422 -17.036 3.896 1.00 0.00 N ATOM 0 H LYS A 79 6.771 -12.184 4.543 1.00 0.00 H new ATOM 0 HA LYS A 79 4.340 -13.650 3.574 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.115 -14.611 5.232 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.306 -13.586 6.401 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.557 -16.051 6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.345 -14.802 6.332 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.780 -16.376 4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.935 -14.730 3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.050 -16.419 2.469 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.139 -15.170 3.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.761 -17.649 3.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.234 -16.580 4.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.903 -17.608 4.592 1.00 0.00 H new ATOM 1249 N MET A 80 2.645 -12.169 4.609 1.00 0.00 N ATOM 1250 CA MET A 80 1.670 -11.160 5.070 1.00 0.00 C ATOM 1251 C MET A 80 0.872 -11.727 6.277 1.00 0.00 C ATOM 1252 O MET A 80 0.087 -12.651 6.120 1.00 0.00 O ATOM 1253 CB MET A 80 0.745 -10.808 3.930 1.00 0.00 C ATOM 1254 CG MET A 80 1.242 -9.776 3.044 1.00 0.00 C ATOM 1255 SD MET A 80 1.109 -8.086 3.722 1.00 0.00 S ATOM 1256 CE MET A 80 -0.319 -7.478 2.745 1.00 0.00 C ATOM 0 H MET A 80 2.254 -12.947 4.077 1.00 0.00 H new ATOM 0 HA MET A 80 2.187 -10.256 5.392 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.552 -11.708 3.346 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.211 -10.485 4.342 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.287 -9.982 2.813 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.692 -9.823 2.104 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.073 -6.513 2.303 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.549 -8.191 1.954 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.186 -7.368 3.397 1.00 0.00 H new ATOM 1266 N ILE A 81 1.095 -11.094 7.453 1.00 0.00 N ATOM 1267 CA ILE A 81 0.434 -11.520 8.632 1.00 0.00 C ATOM 1268 C ILE A 81 -0.613 -10.470 9.054 1.00 0.00 C ATOM 1269 O ILE A 81 -0.368 -9.295 9.119 1.00 0.00 O ATOM 1270 CB ILE A 81 1.424 -11.701 9.839 1.00 0.00 C ATOM 1271 CG1 ILE A 81 2.511 -12.681 9.418 1.00 0.00 C ATOM 1272 CG2 ILE A 81 0.698 -12.207 11.041 1.00 0.00 C ATOM 1273 CD1 ILE A 81 3.634 -12.010 8.534 1.00 0.00 C ATOM 0 H ILE A 81 1.725 -10.301 7.574 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.028 -12.479 8.400 1.00 0.00 H new ATOM 0 HB ILE A 81 1.869 -10.742 10.104 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.967 -13.115 10.308 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.058 -13.501 8.860 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.400 -12.326 11.867 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.078 -11.495 11.324 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.241 -13.170 10.812 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.380 -12.757 8.265 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.188 -11.600 7.628 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.111 -11.208 9.098 1.00 0.00 H new ATOM 1285 N PHE A 82 -1.856 -10.941 9.320 1.00 0.00 N ATOM 1286 CA PHE A 82 -2.976 -10.099 9.742 1.00 0.00 C ATOM 1287 C PHE A 82 -3.901 -9.775 8.566 1.00 0.00 C ATOM 1288 O PHE A 82 -3.586 -10.126 7.439 1.00 0.00 O ATOM 1289 CB PHE A 82 -2.432 -8.802 10.337 1.00 0.00 C ATOM 1290 CG PHE A 82 -3.269 -8.212 11.389 1.00 0.00 C ATOM 1291 CD1 PHE A 82 -3.967 -7.022 11.210 1.00 0.00 C ATOM 1292 CD2 PHE A 82 -3.412 -8.818 12.659 1.00 0.00 C ATOM 1293 CE1 PHE A 82 -4.796 -6.476 12.199 1.00 0.00 C ATOM 1294 CE2 PHE A 82 -4.180 -8.288 13.654 1.00 0.00 C ATOM 1295 CZ PHE A 82 -4.905 -7.124 13.382 1.00 0.00 C ATOM 0 H PHE A 82 -2.100 -11.928 9.243 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.555 -10.643 10.489 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.440 -8.994 10.746 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.311 -8.073 9.536 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.866 -6.498 10.271 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.889 -9.743 12.850 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.336 -5.558 12.021 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.227 -8.755 14.627 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.570 -6.731 14.137 1.00 0.00 H new ATOM 1305 N ALA A 83 -4.991 -9.045 8.840 1.00 0.00 N ATOM 1306 CA ALA A 83 -5.957 -8.680 7.840 1.00 0.00 C ATOM 1307 C ALA A 83 -7.357 -8.810 8.323 1.00 0.00 C ATOM 1308 O ALA A 83 -8.047 -9.795 8.144 1.00 0.00 O ATOM 1309 CB ALA A 83 -5.748 -9.540 6.576 1.00 0.00 C ATOM 0 H ALA A 83 -5.213 -8.698 9.773 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.800 -7.627 7.604 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.482 -9.260 5.820 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.744 -9.375 6.185 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.870 -10.593 6.828 1.00 0.00 H new ATOM 1315 N GLY A 84 -7.821 -7.755 8.985 1.00 0.00 N ATOM 1316 CA GLY A 84 -9.162 -7.728 9.540 1.00 0.00 C ATOM 1317 C GLY A 84 -10.253 -7.497 8.496 1.00 0.00 C ATOM 1318 O GLY A 84 -11.256 -6.888 8.753 1.00 0.00 O ATOM 0 H GLY A 84 -7.282 -6.905 9.149 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.354 -8.672 10.050 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.219 -6.941 10.292 1.00 0.00 H new ATOM 1322 N ILE A 85 -9.981 -7.910 7.261 1.00 0.00 N ATOM 1323 CA ILE A 85 -10.889 -7.743 6.150 1.00 0.00 C ATOM 1324 C ILE A 85 -11.109 -9.028 5.397 1.00 0.00 C ATOM 1325 O ILE A 85 -10.190 -9.649 4.928 1.00 0.00 O ATOM 1326 CB ILE A 85 -10.420 -6.670 5.163 1.00 0.00 C ATOM 1327 CG1 ILE A 85 -10.308 -5.331 5.897 1.00 0.00 C ATOM 1328 CG2 ILE A 85 -11.322 -6.563 4.006 1.00 0.00 C ATOM 1329 CD1 ILE A 85 -11.638 -4.783 6.376 1.00 0.00 C ATOM 0 H ILE A 85 -9.109 -8.376 7.009 1.00 0.00 H new ATOM 0 HA ILE A 85 -11.830 -7.423 6.598 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.443 -6.955 4.773 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.645 -5.451 6.754 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.843 -4.602 5.234 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.955 -5.791 3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -11.357 -7.518 3.482 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -12.323 -6.300 4.348 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -11.478 -3.833 6.886 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -12.297 -4.629 5.522 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -12.097 -5.492 7.065 1.00 0.00 H new ATOM 1341 N LYS A 86 -12.401 -9.419 5.277 1.00 0.00 N ATOM 1342 CA LYS A 86 -12.730 -10.691 4.585 1.00 0.00 C ATOM 1343 C LYS A 86 -13.738 -10.359 3.447 1.00 0.00 C ATOM 1344 O LYS A 86 -14.731 -11.037 3.316 1.00 0.00 O ATOM 1345 CB LYS A 86 -13.321 -11.684 5.568 1.00 0.00 C ATOM 1346 CG LYS A 86 -14.369 -11.087 6.470 1.00 0.00 C ATOM 1347 CD LYS A 86 -15.200 -12.184 7.190 1.00 0.00 C ATOM 1348 CE LYS A 86 -16.526 -11.670 7.677 1.00 0.00 C ATOM 1349 NZ LYS A 86 -17.678 -12.411 7.156 1.00 0.00 N ATOM 0 H LYS A 86 -13.202 -8.898 5.633 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.834 -11.147 4.165 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.760 -12.514 5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.520 -12.098 6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -13.890 -10.448 7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -15.034 -10.452 5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -15.365 -13.018 6.508 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.631 -12.571 8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -16.543 -11.711 8.766 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.624 -10.621 7.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -18.555 -12.000 7.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -17.688 -12.352 6.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -17.610 -13.408 7.445 1.00 0.00 H new ATOM 1363 N LYS A 87 -13.398 -9.386 2.627 1.00 0.00 N ATOM 1364 CA LYS A 87 -14.288 -9.013 1.541 1.00 0.00 C ATOM 1365 C LYS A 87 -13.504 -8.225 0.495 1.00 0.00 C ATOM 1366 O LYS A 87 -12.964 -7.115 0.786 1.00 0.00 O ATOM 1367 CB LYS A 87 -15.436 -8.188 2.047 1.00 0.00 C ATOM 1368 CG LYS A 87 -16.673 -8.990 2.516 1.00 0.00 C ATOM 1369 CD LYS A 87 -17.622 -8.155 3.260 1.00 0.00 C ATOM 1370 CE LYS A 87 -19.009 -8.814 3.219 1.00 0.00 C ATOM 1371 NZ LYS A 87 -20.066 -7.859 3.650 1.00 0.00 N ATOM 0 H LYS A 87 -12.533 -8.848 2.686 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.694 -9.920 1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.084 -7.577 2.878 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.746 -7.504 1.257 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.173 -9.423 1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.350 -9.819 3.145 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -17.291 -8.038 4.292 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.667 -7.157 2.824 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -19.220 -9.163 2.208 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -19.019 -9.690 3.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.993 -8.328 3.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -19.875 -7.545 4.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -20.070 -7.035 3.015 1.00 0.00 H new ATOM 1385 N LYS A 88 -13.403 -8.768 -0.735 1.00 0.00 N ATOM 1386 CA LYS A 88 -12.675 -8.092 -1.807 1.00 0.00 C ATOM 1387 C LYS A 88 -13.098 -6.677 -1.982 1.00 0.00 C ATOM 1388 O LYS A 88 -12.281 -5.767 -2.244 1.00 0.00 O ATOM 1389 CB LYS A 88 -12.870 -8.898 -3.102 1.00 0.00 C ATOM 1390 CG LYS A 88 -13.729 -8.118 -4.148 1.00 0.00 C ATOM 1391 CD LYS A 88 -15.211 -8.233 -3.856 1.00 0.00 C ATOM 1392 CE LYS A 88 -15.992 -8.205 -5.166 1.00 0.00 C ATOM 1393 NZ LYS A 88 -17.441 -8.520 -4.903 1.00 0.00 N ATOM 0 H LYS A 88 -13.814 -9.663 -1.001 1.00 0.00 H new ATOM 0 HA LYS A 88 -11.618 -8.051 -1.544 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -11.897 -9.133 -3.534 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -13.353 -9.847 -2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -13.439 -7.067 -4.146 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -13.524 -8.504 -5.147 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -15.416 -9.159 -3.318 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -15.530 -7.413 -3.212 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -15.903 -7.224 -5.632 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -15.574 -8.930 -5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -17.969 -8.500 -5.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -17.519 -9.465 -4.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -17.837 -7.813 -4.252 1.00 0.00 H new ATOM 1407 N THR A 89 -14.389 -6.410 -1.796 1.00 0.00 N ATOM 1408 CA THR A 89 -14.947 -5.095 -1.937 1.00 0.00 C ATOM 1409 C THR A 89 -14.369 -4.149 -0.834 1.00 0.00 C ATOM 1410 O THR A 89 -14.387 -2.936 -1.060 1.00 0.00 O ATOM 1411 CB THR A 89 -16.499 -5.116 -1.781 1.00 0.00 C ATOM 1412 OG1 THR A 89 -17.051 -3.991 -2.404 1.00 0.00 O ATOM 1413 CG2 THR A 89 -16.961 -5.173 -0.389 1.00 0.00 C ATOM 0 H THR A 89 -15.074 -7.121 -1.540 1.00 0.00 H new ATOM 0 HA THR A 89 -14.686 -4.737 -2.933 1.00 0.00 H new ATOM 0 HB THR A 89 -16.837 -6.036 -2.258 1.00 0.00 H new ATOM 0 HG1 THR A 89 -18.026 -4.008 -2.306 1.00 0.00 H new ATOM 0 HG21 THR A 89 -18.051 -5.184 -0.367 1.00 0.00 H new ATOM 0 HG22 THR A 89 -16.579 -6.078 0.084 1.00 0.00 H new ATOM 0 HG23 THR A 89 -16.597 -4.299 0.151 1.00 0.00 H new ATOM 1421 N GLU A 90 -13.928 -4.769 0.288 1.00 0.00 N ATOM 1422 CA GLU A 90 -13.378 -3.945 1.361 1.00 0.00 C ATOM 1423 C GLU A 90 -11.940 -3.465 0.960 1.00 0.00 C ATOM 1424 O GLU A 90 -11.629 -2.303 1.164 1.00 0.00 O ATOM 1425 CB GLU A 90 -13.281 -4.774 2.614 1.00 0.00 C ATOM 1426 CG GLU A 90 -14.678 -5.307 3.091 1.00 0.00 C ATOM 1427 CD GLU A 90 -15.412 -4.234 3.874 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -16.185 -3.473 3.241 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -15.277 -4.192 5.098 1.00 0.00 O ATOM 0 H GLU A 90 -13.944 -5.775 0.458 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.023 -3.083 1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.615 -5.618 2.437 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -12.833 -4.176 3.408 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.273 -5.609 2.229 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.544 -6.193 3.712 1.00 0.00 H new ATOM 1436 N ARG A 91 -11.140 -4.385 0.436 1.00 0.00 N ATOM 1437 CA ARG A 91 -9.779 -4.081 0.024 1.00 0.00 C ATOM 1438 C ARG A 91 -9.769 -3.123 -1.163 1.00 0.00 C ATOM 1439 O ARG A 91 -9.010 -2.155 -1.183 1.00 0.00 O ATOM 1440 CB ARG A 91 -9.047 -5.368 -0.338 1.00 0.00 C ATOM 1441 CG ARG A 91 -8.643 -6.273 0.809 1.00 0.00 C ATOM 1442 CD ARG A 91 -7.288 -6.910 0.559 1.00 0.00 C ATOM 1443 NE ARG A 91 -7.319 -8.357 0.761 1.00 0.00 N ATOM 1444 CZ ARG A 91 -6.525 -9.206 0.119 1.00 0.00 C ATOM 1445 NH1 ARG A 91 -5.643 -8.755 -0.764 1.00 0.00 N ATOM 1446 NH2 ARG A 91 -6.611 -10.508 0.357 1.00 0.00 N ATOM 0 H ARG A 91 -11.415 -5.356 0.286 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.268 -3.597 0.857 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.682 -5.940 -1.014 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.148 -5.102 -0.893 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.612 -5.698 1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.394 -7.052 0.942 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.967 -6.693 -0.460 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.550 -6.466 1.227 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.987 -8.736 1.432 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.574 -7.755 -0.951 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.034 -9.409 -1.256 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.288 -10.859 1.034 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.000 -11.158 -0.137 1.00 0.00 H new ATOM 1460 N GLU A 92 -10.624 -3.427 -2.161 1.00 0.00 N ATOM 1461 CA GLU A 92 -10.708 -2.575 -3.378 1.00 0.00 C ATOM 1462 C GLU A 92 -11.028 -1.144 -2.977 1.00 0.00 C ATOM 1463 O GLU A 92 -10.542 -0.201 -3.588 1.00 0.00 O ATOM 1464 CB GLU A 92 -11.804 -3.107 -4.333 1.00 0.00 C ATOM 1465 CG GLU A 92 -11.666 -4.578 -4.588 1.00 0.00 C ATOM 1466 CD GLU A 92 -10.335 -5.142 -4.131 1.00 0.00 C ATOM 1467 OE1 GLU A 92 -9.317 -4.469 -4.291 1.00 0.00 O ATOM 1468 OE2 GLU A 92 -10.314 -6.272 -3.653 1.00 0.00 O ATOM 0 H GLU A 92 -11.252 -4.231 -2.157 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.749 -2.603 -3.895 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.786 -2.904 -3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.751 -2.569 -5.280 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.471 -5.106 -4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.787 -4.768 -5.655 1.00 0.00 H new ATOM 1475 N ASP A 93 -11.936 -0.932 -1.961 1.00 0.00 N ATOM 1476 CA ASP A 93 -12.260 0.388 -1.507 1.00 0.00 C ATOM 1477 C ASP A 93 -11.069 1.162 -1.079 1.00 0.00 C ATOM 1478 O ASP A 93 -10.859 2.353 -1.474 1.00 0.00 O ATOM 1479 CB ASP A 93 -13.296 0.270 -0.370 1.00 0.00 C ATOM 1480 CG ASP A 93 -14.434 1.294 -0.528 1.00 0.00 C ATOM 1481 OD1 ASP A 93 -15.336 1.202 0.356 1.00 0.00 O ATOM 1482 OD2 ASP A 93 -14.378 2.091 -1.483 1.00 0.00 O ATOM 0 H ASP A 93 -12.429 -1.679 -1.472 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.681 0.949 -2.342 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.712 -0.737 -0.360 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.802 0.421 0.590 1.00 0.00 H new ATOM 1487 N GLY A 94 -10.192 0.525 -0.275 1.00 0.00 N ATOM 1488 CA GLY A 94 -8.978 1.251 0.197 1.00 0.00 C ATOM 1489 C GLY A 94 -8.096 1.723 -0.940 1.00 0.00 C ATOM 1490 O GLY A 94 -7.438 2.759 -0.839 1.00 0.00 O ATOM 0 H GLY A 94 -10.284 -0.437 0.051 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.284 2.110 0.794 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.401 0.597 0.851 1.00 0.00 H new ATOM 1494 N ILE A 95 -8.094 0.908 -2.055 1.00 0.00 N ATOM 1495 CA ILE A 95 -7.318 1.270 -3.180 1.00 0.00 C ATOM 1496 C ILE A 95 -7.712 2.631 -3.739 1.00 0.00 C ATOM 1497 O ILE A 95 -6.818 3.492 -4.063 1.00 0.00 O ATOM 1498 CB ILE A 95 -7.430 0.207 -4.291 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -7.212 -1.221 -3.735 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -6.451 0.493 -5.419 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -6.244 -2.019 -4.568 1.00 0.00 C ATOM 0 H ILE A 95 -8.619 0.038 -2.146 1.00 0.00 H new ATOM 0 HA ILE A 95 -6.285 1.331 -2.837 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.443 0.260 -4.690 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.840 -1.157 -2.712 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.168 -1.742 -3.695 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.550 -0.271 -6.190 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.666 1.471 -5.848 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.433 0.484 -5.029 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.126 -3.013 -4.136 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.627 -2.108 -5.585 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.278 -1.514 -4.587 1.00 0.00 H new ATOM 1513 N ALA A 96 -8.984 2.868 -3.886 1.00 0.00 N ATOM 1514 CA ALA A 96 -9.487 4.138 -4.411 1.00 0.00 C ATOM 1515 C ALA A 96 -8.959 5.353 -3.545 1.00 0.00 C ATOM 1516 O ALA A 96 -8.573 6.321 -4.081 1.00 0.00 O ATOM 1517 CB ALA A 96 -11.013 4.117 -4.393 1.00 0.00 C ATOM 0 H ALA A 96 -9.714 2.196 -3.650 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.128 4.265 -5.432 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -11.394 5.061 -4.783 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -11.373 3.296 -5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.363 3.979 -3.370 1.00 0.00 H new ATOM 1523 N TYR A 97 -8.965 5.135 -2.214 1.00 0.00 N ATOM 1524 CA TYR A 97 -8.480 6.187 -1.326 1.00 0.00 C ATOM 1525 C TYR A 97 -7.015 6.407 -1.519 1.00 0.00 C ATOM 1526 O TYR A 97 -6.501 7.530 -1.452 1.00 0.00 O ATOM 1527 CB TYR A 97 -8.785 5.749 0.135 1.00 0.00 C ATOM 1528 CG TYR A 97 -8.100 6.651 1.123 1.00 0.00 C ATOM 1529 CD1 TYR A 97 -8.843 7.490 1.964 1.00 0.00 C ATOM 1530 CD2 TYR A 97 -6.720 6.639 1.272 1.00 0.00 C ATOM 1531 CE1 TYR A 97 -8.245 8.350 2.877 1.00 0.00 C ATOM 1532 CE2 TYR A 97 -6.089 7.476 2.211 1.00 0.00 C ATOM 1533 CZ TYR A 97 -6.846 8.300 3.033 1.00 0.00 C ATOM 1534 OH TYR A 97 -6.231 9.083 3.945 1.00 0.00 O ATOM 0 H TYR A 97 -9.285 4.281 -1.756 1.00 0.00 H new ATOM 0 HA TYR A 97 -8.979 7.130 -1.549 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.861 5.767 0.306 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.455 4.721 0.286 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -9.921 7.467 1.900 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.123 5.979 0.660 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -8.840 9.042 3.455 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.012 7.477 2.293 1.00 0.00 H new ATOM 0 HH TYR A 97 -5.265 8.919 3.919 1.00 0.00 H new ATOM 1544 N LEU A 98 -6.297 5.286 -1.762 1.00 0.00 N ATOM 1545 CA LEU A 98 -4.823 5.367 -1.935 1.00 0.00 C ATOM 1546 C LEU A 98 -4.486 6.170 -3.223 1.00 0.00 C ATOM 1547 O LEU A 98 -3.517 6.878 -3.245 1.00 0.00 O ATOM 1548 CB LEU A 98 -4.268 3.949 -2.077 1.00 0.00 C ATOM 1549 CG LEU A 98 -3.136 3.611 -1.043 1.00 0.00 C ATOM 1550 CD1 LEU A 98 -3.266 2.173 -0.581 1.00 0.00 C ATOM 1551 CD2 LEU A 98 -1.769 3.885 -1.651 1.00 0.00 C ATOM 0 H LEU A 98 -6.692 4.349 -1.841 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.381 5.866 -1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.083 3.235 -1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.877 3.820 -3.086 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.243 4.253 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.476 1.948 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.237 2.029 -0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.178 1.506 -1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.993 3.647 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.636 3.268 -2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.697 4.937 -1.926 1.00 0.00 H new ATOM 1563 N LYS A 99 -5.310 5.971 -4.269 1.00 0.00 N ATOM 1564 CA LYS A 99 -5.096 6.708 -5.480 1.00 0.00 C ATOM 1565 C LYS A 99 -5.125 8.166 -5.304 1.00 0.00 C ATOM 1566 O LYS A 99 -4.282 8.910 -5.837 1.00 0.00 O ATOM 1567 CB LYS A 99 -6.171 6.287 -6.531 1.00 0.00 C ATOM 1568 CG LYS A 99 -6.836 4.945 -6.237 1.00 0.00 C ATOM 1569 CD LYS A 99 -7.424 4.302 -7.500 1.00 0.00 C ATOM 1570 CE LYS A 99 -8.923 4.555 -7.546 1.00 0.00 C ATOM 1571 NZ LYS A 99 -9.399 4.657 -8.981 1.00 0.00 N ATOM 0 H LYS A 99 -6.098 5.324 -4.281 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.090 6.463 -5.822 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.939 7.059 -6.578 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.704 6.241 -7.515 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.105 4.269 -5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.627 5.087 -5.501 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.947 4.717 -8.388 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.225 3.230 -7.502 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.450 3.747 -7.038 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.159 5.475 -7.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.407 4.914 -8.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.849 5.386 -9.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.268 3.741 -9.456 1.00 0.00 H new ATOM 1585 N LYS A 100 -6.107 8.687 -4.533 1.00 0.00 N ATOM 1586 CA LYS A 100 -6.231 10.114 -4.262 1.00 0.00 C ATOM 1587 C LYS A 100 -5.113 10.559 -3.272 1.00 0.00 C ATOM 1588 O LYS A 100 -4.582 11.668 -3.439 1.00 0.00 O ATOM 1589 CB LYS A 100 -7.583 10.396 -3.641 1.00 0.00 C ATOM 1590 CG LYS A 100 -8.714 10.301 -4.674 1.00 0.00 C ATOM 1591 CD LYS A 100 -9.772 9.259 -4.211 1.00 0.00 C ATOM 1592 CE LYS A 100 -11.170 9.914 -4.075 1.00 0.00 C ATOM 1593 NZ LYS A 100 -11.261 10.691 -2.834 1.00 0.00 N ATOM 0 H LYS A 100 -6.828 8.120 -4.088 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.133 10.666 -5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.767 9.687 -2.834 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.579 11.391 -3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.184 11.276 -4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.308 10.013 -5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.818 8.439 -4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.472 8.830 -3.255 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -11.358 10.563 -4.931 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -11.941 9.143 -4.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -12.142 10.450 -2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.448 10.469 -2.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.258 11.706 -3.059 1.00 0.00 H new ATOM 1607 N ALA A 101 -4.831 9.651 -2.335 1.00 0.00 N ATOM 1608 CA ALA A 101 -3.785 9.894 -1.317 1.00 0.00 C ATOM 1609 C ALA A 101 -2.473 10.252 -1.976 1.00 0.00 C ATOM 1610 O ALA A 101 -1.664 10.970 -1.391 1.00 0.00 O ATOM 1611 CB ALA A 101 -3.646 8.706 -0.422 1.00 0.00 C ATOM 0 H ALA A 101 -5.301 8.749 -2.253 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.084 10.742 -0.701 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.873 8.899 0.322 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.594 8.516 0.081 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.369 7.834 -1.015 1.00 0.00 H new ATOM 1617 N THR A 102 -2.254 9.771 -3.174 1.00 0.00 N ATOM 1618 CA THR A 102 -1.026 10.036 -3.894 1.00 0.00 C ATOM 1619 C THR A 102 -1.309 11.089 -4.887 1.00 0.00 C ATOM 1620 O THR A 102 -0.435 11.882 -5.287 1.00 0.00 O ATOM 1621 CB THR A 102 -0.489 8.793 -4.540 1.00 0.00 C ATOM 1622 OG1 THR A 102 -0.698 8.843 -5.980 1.00 0.00 O ATOM 1623 CG2 THR A 102 -1.122 7.556 -4.053 1.00 0.00 C ATOM 0 H THR A 102 -2.918 9.185 -3.680 1.00 0.00 H new ATOM 0 HA THR A 102 -0.252 10.374 -3.205 1.00 0.00 H new ATOM 0 HB THR A 102 0.570 8.767 -4.281 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.342 8.027 -6.391 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.685 6.698 -4.564 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.958 7.462 -2.980 1.00 0.00 H new ATOM 0 HG23 THR A 102 -2.193 7.591 -4.255 1.00 0.00 H new ATOM 1631 N ASN A 103 -2.611 11.222 -5.241 1.00 0.00 N ATOM 1632 CA ASN A 103 -3.086 12.277 -6.127 1.00 0.00 C ATOM 1633 C ASN A 103 -4.578 12.505 -5.914 1.00 0.00 C ATOM 1634 O ASN A 103 -5.422 11.657 -6.280 1.00 0.00 O ATOM 1635 CB ASN A 103 -2.819 11.812 -7.606 1.00 0.00 C ATOM 1636 CG ASN A 103 -4.019 11.095 -8.192 1.00 0.00 C ATOM 1637 OD1 ASN A 103 -4.872 11.686 -8.806 1.00 0.00 O ATOM 1638 ND2 ASN A 103 -4.035 9.779 -8.011 1.00 0.00 N ATOM 0 H ASN A 103 -3.347 10.596 -4.914 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.566 13.213 -5.920 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.576 12.678 -8.222 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -1.953 11.151 -7.629 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.794 9.220 -8.400 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.288 9.328 -7.483 1.00 0.00 H new ATOM 1645 N GLU A 104 -4.895 13.636 -5.364 1.00 0.00 N ATOM 1646 CA GLU A 104 -6.266 14.079 -5.119 1.00 0.00 C ATOM 1647 C GLU A 104 -6.317 14.977 -3.874 1.00 0.00 C ATOM 1648 O GLU A 104 -7.473 15.233 -3.395 1.00 0.00 O ATOM 1649 CB GLU A 104 -7.157 12.814 -4.889 1.00 0.00 C ATOM 1650 CG GLU A 104 -7.688 12.272 -6.189 1.00 0.00 C ATOM 1651 CD GLU A 104 -7.271 13.063 -7.414 1.00 0.00 C ATOM 1652 OE1 GLU A 104 -6.053 13.178 -7.661 1.00 0.00 O ATOM 1653 OE2 GLU A 104 -8.195 13.573 -8.128 1.00 0.00 O ATOM 1654 OXT GLU A 104 -5.279 15.452 -3.437 1.00 0.00 O ATOM 0 H GLU A 104 -4.195 14.312 -5.057 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.629 14.649 -5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.575 12.044 -4.383 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.989 13.068 -4.232 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.350 11.242 -6.304 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.777 12.247 -6.141 1.00 0.00 H new TER 1661 GLU A 104 HETATM 1662 FE HEC A 201 1.713 -4.836 3.304 1.00 0.00 FE HETATM 1663 CHA HEC A 201 4.436 -4.925 1.330 1.00 0.00 C HETATM 1664 CHB HEC A 201 0.010 -3.174 1.038 1.00 0.00 C HETATM 1665 CHC HEC A 201 -1.278 -5.719 4.862 1.00 0.00 C HETATM 1666 CHD HEC A 201 3.441 -5.949 5.907 1.00 0.00 C HETATM 1667 NA HEC A 201 2.150 -4.384 1.474 1.00 0.00 N HETATM 1668 C1A HEC A 201 3.378 -4.142 0.980 1.00 0.00 C HETATM 1669 C2A HEC A 201 3.477 -2.990 0.167 1.00 0.00 C HETATM 1670 C3A HEC A 201 2.213 -2.427 0.022 1.00 0.00 C HETATM 1671 C4A HEC A 201 1.427 -3.373 0.887 1.00 0.00 C HETATM 1672 CMA HEC A 201 1.805 -1.191 -0.735 1.00 0.00 C HETATM 1673 CAA HEC A 201 4.687 -2.412 -0.644 1.00 0.00 C HETATM 1674 CBA HEC A 201 4.523 -0.879 -1.097 1.00 0.00 C HETATM 1675 CGA HEC A 201 5.820 -0.275 -1.534 1.00 0.00 C HETATM 1676 O1A HEC A 201 5.997 0.894 -1.337 1.00 0.00 O HETATM 1677 O2A HEC A 201 6.608 -1.036 -2.132 1.00 0.00 O HETATM 1678 NB HEC A 201 -0.217 -4.568 2.981 1.00 0.00 N HETATM 1679 C1B HEC A 201 -0.823 -3.741 2.006 1.00 0.00 C HETATM 1680 C2B HEC A 201 -2.236 -3.489 2.219 1.00 0.00 C HETATM 1681 C3B HEC A 201 -2.591 -4.247 3.372 1.00 0.00 C HETATM 1682 C4B HEC A 201 -1.392 -4.855 3.752 1.00 0.00 C HETATM 1683 CMB HEC A 201 -3.160 -2.649 1.367 1.00 0.00 C HETATM 1684 CAB HEC A 201 -3.996 -4.326 3.943 1.00 0.00 C HETATM 1685 CBB HEC A 201 -5.155 -4.298 2.960 1.00 0.00 C HETATM 1686 NC HEC A 201 1.254 -5.597 5.044 1.00 0.00 N HETATM 1687 C1C HEC A 201 -0.019 -5.980 5.498 1.00 0.00 C HETATM 1688 C2C HEC A 201 0.077 -6.762 6.716 1.00 0.00 C HETATM 1689 C3C HEC A 201 1.462 -6.844 7.033 1.00 0.00 C HETATM 1690 C4C HEC A 201 2.087 -6.086 5.987 1.00 0.00 C HETATM 1691 CMC HEC A 201 -1.034 -7.396 7.509 1.00 0.00 C HETATM 1692 CAC HEC A 201 2.082 -7.516 8.289 1.00 0.00 C HETATM 1693 CBC HEC A 201 2.461 -8.959 8.581 1.00 0.00 C HETATM 1694 ND HEC A 201 3.592 -5.375 3.582 1.00 0.00 N HETATM 1695 C1D HEC A 201 4.156 -5.795 4.751 1.00 0.00 C HETATM 1696 C2D HEC A 201 5.546 -6.130 4.563 1.00 0.00 C HETATM 1697 C3D HEC A 201 5.831 -5.805 3.268 1.00 0.00 C HETATM 1698 C4D HEC A 201 4.646 -5.339 2.634 1.00 0.00 C HETATM 1699 CMD HEC A 201 6.544 -6.609 5.615 1.00 0.00 C HETATM 1700 CAD HEC A 201 7.167 -5.945 2.540 1.00 0.00 C HETATM 1701 CBD HEC A 201 7.082 -6.814 1.276 1.00 0.00 C HETATM 1702 CGD HEC A 201 5.716 -7.463 1.156 1.00 0.00 C HETATM 1703 O1D HEC A 201 5.198 -7.591 0.032 1.00 0.00 O HETATM 1704 O2D HEC A 201 5.109 -7.731 2.213 1.00 0.00 O HETATM 0 HMD3 HEC A 201 6.642 -5.853 6.394 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 6.189 -7.541 6.055 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 7.514 -6.775 5.147 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 -1.725 -6.624 7.848 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 -1.567 -8.110 6.882 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 -0.615 -7.913 8.372 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 -2.791 -1.624 1.332 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 -3.194 -3.057 0.357 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 -4.162 -2.660 1.797 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 2.330 -0.326 -0.329 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 2.060 -1.309 -1.788 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 0.730 -1.042 -0.636 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 7.277 -6.202 0.395 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 7.853 -7.584 1.306 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 1.576 -9.590 8.505 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 3.207 -9.292 7.859 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 2.873 -9.030 9.588 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 -5.127 -3.369 2.391 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 -5.074 -5.144 2.277 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 -6.096 -4.361 3.506 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 3.803 -0.819 -1.913 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 4.115 -0.299 -0.269 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 7.530 -4.954 2.267 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 7.900 -6.377 3.221 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 5.589 -2.503 -0.039 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 4.837 -3.025 -1.533 1.00 0.00 H new HETATM 0 HHD HEC A 201 4.001 -5.963 6.842 1.00 0.00 H new HETATM 0 HHC HEC A 201 -2.175 -6.203 5.248 1.00 0.00 H new HETATM 0 HHB HEC A 201 -0.466 -2.508 0.318 1.00 0.00 H new HETATM 0 HHA HEC A 201 5.140 -5.236 0.558 1.00 0.00 H new HETATM 0 H2D HEC A 201 4.204 -8.040 2.001 1.00 0.00 H new HETATM 0 H2A HEC A 201 6.101 -1.642 -2.711 1.00 0.00 H new