USER MOD reduce.3.24.130724 H: found=0, std=0, add=1135, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1137 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 113 SER OG : rot 180:sc= -0.148 USER MOD Set 1.2: A 117 GLN : amide:sc= -1.6! K(o=-1.8!,f=-0.89) USER MOD Set 2.1: A 3 ASN : amide:sc= -2.65 K(o=-6.5,f=-3.2!) USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 63 ASN : amide:sc= -3.83 K(o=-6.5,f=-3.2) USER MOD Set 3.1: A 21 MET CE :methyl -153:sc= -3.82 (180deg=-5.11!) USER MOD Set 3.2: A 28 CYS SG : rot 83:sc= -0.488 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.895 X(o=-0.89,f=-0.45) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -6.06! K(o=-6.1!,f=-3) USER MOD Single : A 15 HIS : no HE2:sc= -3.08! C(o=-3.1!,f=-3.6!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -25:sc= -3.5! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 20:sc= -9.37! USER MOD Single : A 25 LYS NZ :NH3+ -155:sc= -0.0482 (180deg=-0.288) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -2.8! C(o=-2.8!,f=-5.7!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 40 LYS NZ :NH3+ 150:sc= -0.418 (180deg=-1.65!) USER MOD Single : A 44 MET CE :methyl 159:sc= -0.0287 (180deg=-0.121) USER MOD Single : A 46 GLN : amide:sc= -3.15 K(o=-3.1,f=-6.3!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 150:sc= -4.25 (180deg=-8.79!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -4.03 K(o=-4,f=-8.2!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -2:sc= 0.467 USER MOD Single : A 81 ASN : amide:sc= -1.4 K(o=-1.4,f=-0.64) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.999 K(o=-1,f=-3!) USER MOD Single : A 86 CYS SG : rot 60:sc= 0.0596 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -70:sc= -0.729 USER MOD Single : A 93 GLN : amide:sc= -0.961 K(o=-0.96,f=-5.4!) USER MOD Single : A 95 LYS NZ :NH3+ -150:sc= -0.0546 (180deg=-0.663) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -7.11! C(o=-7.1!,f=-6.9!) USER MOD Single : A 104 LYS NZ :NH3+ -152:sc= -0.525 (180deg=-1.58!) USER MOD Single : A 106 SER OG : rot 180:sc= -1 USER MOD Single : A 110 LYS NZ :NH3+ 151:sc= -1.13 (180deg=-3.24!) USER MOD Single : A 120 GLN : amide:sc= -2.99! C(o=-3!,f=-2.2!) USER MOD Single : A 122 MET CE :methyl 144:sc= -5.12! (180deg=-8.68!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -8.86! C(o=-8.9!,f=-21!) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= -1.74 K(o=-1.7,f=-3.9!) USER MOD Single : A 138 GLN : amide:sc= -0.729 K(o=-0.73,f=-0.1) USER MOD Single : A 139 GLN : amide:sc= -0.907 K(o=-0.91,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -18.148 -0.902 -5.432 1.00 0.00 N ATOM 21 CA GLU A 2 -17.660 -1.711 -6.545 1.00 0.00 C ATOM 22 C GLU A 2 -16.136 -1.780 -6.541 1.00 0.00 C ATOM 23 O GLU A 2 -15.550 -2.804 -6.896 1.00 0.00 O ATOM 24 CB GLU A 2 -18.154 -1.138 -7.874 1.00 0.00 C ATOM 25 CG GLU A 2 -19.477 -1.726 -8.336 1.00 0.00 C ATOM 26 CD GLU A 2 -19.300 -2.816 -9.375 1.00 0.00 C ATOM 27 OE1 GLU A 2 -18.687 -3.853 -9.048 1.00 0.00 O ATOM 28 OE2 GLU A 2 -19.774 -2.631 -10.516 1.00 0.00 O ATOM 0 HA GLU A 2 -18.051 -2.722 -6.426 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -18.260 -0.058 -7.777 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -17.399 -1.317 -8.640 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -20.010 -2.132 -7.476 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -20.098 -0.932 -8.750 1.00 0.00 H new ATOM 35 N ASN A 3 -15.499 -0.686 -6.137 1.00 0.00 N ATOM 36 CA ASN A 3 -14.046 -0.621 -6.084 1.00 0.00 C ATOM 37 C ASN A 3 -13.525 -1.193 -4.772 1.00 0.00 C ATOM 38 O ASN A 3 -12.422 -1.738 -4.714 1.00 0.00 O ATOM 39 CB ASN A 3 -13.581 0.825 -6.220 1.00 0.00 C ATOM 40 CG ASN A 3 -14.243 1.553 -7.369 1.00 0.00 C ATOM 41 OD1 ASN A 3 -14.913 0.946 -8.205 1.00 0.00 O ATOM 42 ND2 ASN A 3 -14.055 2.865 -7.413 1.00 0.00 N ATOM 0 H ASN A 3 -15.969 0.169 -5.841 1.00 0.00 H new ATOM 0 HA ASN A 3 -13.652 -1.213 -6.910 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.790 1.357 -5.292 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -12.500 0.842 -6.361 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -14.474 3.415 -8.163 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -13.491 3.324 -6.697 1.00 0.00 H new ATOM 49 N LEU A 4 -14.324 -1.058 -3.719 1.00 0.00 N ATOM 50 CA LEU A 4 -13.946 -1.551 -2.401 1.00 0.00 C ATOM 51 C LEU A 4 -13.556 -3.019 -2.465 1.00 0.00 C ATOM 52 O LEU A 4 -12.520 -3.419 -1.940 1.00 0.00 O ATOM 53 CB LEU A 4 -15.097 -1.354 -1.412 1.00 0.00 C ATOM 54 CG LEU A 4 -15.037 -0.058 -0.601 1.00 0.00 C ATOM 55 CD1 LEU A 4 -16.436 0.396 -0.216 1.00 0.00 C ATOM 56 CD2 LEU A 4 -14.175 -0.246 0.638 1.00 0.00 C ATOM 0 H LEU A 4 -15.240 -0.610 -3.754 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.083 -0.981 -2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -16.037 -1.377 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.111 -2.197 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.585 0.716 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -16.373 1.319 0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -17.023 0.570 -1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -16.916 -0.376 0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.143 0.685 1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.599 -1.034 1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.164 -0.524 0.339 1.00 0.00 H new ATOM 68 N LYS A 5 -14.386 -3.818 -3.116 1.00 0.00 N ATOM 69 CA LYS A 5 -14.113 -5.244 -3.244 1.00 0.00 C ATOM 70 C LYS A 5 -12.838 -5.483 -4.044 1.00 0.00 C ATOM 71 O LYS A 5 -12.204 -6.531 -3.919 1.00 0.00 O ATOM 72 CB LYS A 5 -15.293 -5.961 -3.904 1.00 0.00 C ATOM 73 CG LYS A 5 -16.642 -5.594 -3.306 1.00 0.00 C ATOM 74 CD LYS A 5 -16.669 -5.826 -1.804 1.00 0.00 C ATOM 75 CE LYS A 5 -18.016 -6.362 -1.347 1.00 0.00 C ATOM 76 NZ LYS A 5 -18.011 -7.845 -1.221 1.00 0.00 N ATOM 0 H LYS A 5 -15.249 -3.508 -3.562 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.973 -5.651 -2.243 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.301 -5.725 -4.968 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.148 -7.038 -3.817 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.862 -4.548 -3.517 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.424 -6.186 -3.781 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -15.884 -6.530 -1.529 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -16.454 -4.891 -1.286 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.276 -5.917 -0.387 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.786 -6.061 -2.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -18.948 -8.170 -0.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.788 -8.271 -2.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.294 -8.132 -0.524 1.00 0.00 H new ATOM 90 N HIS A 6 -12.455 -4.500 -4.851 1.00 0.00 N ATOM 91 CA HIS A 6 -11.241 -4.604 -5.651 1.00 0.00 C ATOM 92 C HIS A 6 -10.047 -4.112 -4.844 1.00 0.00 C ATOM 93 O HIS A 6 -8.922 -4.578 -5.025 1.00 0.00 O ATOM 94 CB HIS A 6 -11.374 -3.802 -6.947 1.00 0.00 C ATOM 95 CG HIS A 6 -10.832 -4.518 -8.146 1.00 0.00 C ATOM 96 ND1 HIS A 6 -10.946 -5.881 -8.322 1.00 0.00 N ATOM 97 CD2 HIS A 6 -10.167 -4.055 -9.231 1.00 0.00 C ATOM 98 CE1 HIS A 6 -10.374 -6.225 -9.462 1.00 0.00 C ATOM 99 NE2 HIS A 6 -9.894 -5.136 -10.033 1.00 0.00 N ATOM 0 H HIS A 6 -12.966 -3.625 -4.968 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.086 -5.650 -5.915 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -12.425 -3.570 -7.116 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -10.852 -2.852 -6.833 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.901 -3.027 -9.429 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.310 -7.227 -9.859 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -9.400 -5.103 -10.925 1.00 0.00 H new ATOM 108 N ILE A 7 -10.311 -3.173 -3.941 1.00 0.00 N ATOM 109 CA ILE A 7 -9.276 -2.617 -3.085 1.00 0.00 C ATOM 110 C ILE A 7 -9.023 -3.540 -1.899 1.00 0.00 C ATOM 111 O ILE A 7 -7.878 -3.820 -1.551 1.00 0.00 O ATOM 112 CB ILE A 7 -9.671 -1.214 -2.581 1.00 0.00 C ATOM 113 CG1 ILE A 7 -9.563 -0.208 -3.729 1.00 0.00 C ATOM 114 CG2 ILE A 7 -8.792 -0.779 -1.409 1.00 0.00 C ATOM 115 CD1 ILE A 7 -10.875 0.434 -4.121 1.00 0.00 C ATOM 0 H ILE A 7 -11.240 -2.781 -3.785 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.362 -2.528 -3.673 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.701 -1.251 -2.227 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.860 0.575 -3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.144 -0.712 -4.600 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.095 0.214 -1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.904 -1.487 -0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.749 -0.753 -1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.708 1.133 -4.941 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.577 -0.337 -4.439 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.288 0.970 -3.266 1.00 0.00 H new ATOM 127 N ILE A 8 -10.102 -4.017 -1.289 1.00 0.00 N ATOM 128 CA ILE A 8 -9.996 -4.918 -0.153 1.00 0.00 C ATOM 129 C ILE A 8 -9.335 -6.212 -0.586 1.00 0.00 C ATOM 130 O ILE A 8 -8.382 -6.682 0.037 1.00 0.00 O ATOM 131 CB ILE A 8 -11.380 -5.239 0.429 1.00 0.00 C ATOM 132 CG1 ILE A 8 -12.121 -3.951 0.792 1.00 0.00 C ATOM 133 CG2 ILE A 8 -11.256 -6.150 1.642 1.00 0.00 C ATOM 134 CD1 ILE A 8 -13.621 -4.124 0.891 1.00 0.00 C ATOM 0 H ILE A 8 -11.059 -3.794 -1.564 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.397 -4.425 0.613 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.958 -5.764 -0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.743 -3.580 1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.900 -3.191 0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.248 -6.365 2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.773 -7.082 1.349 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.658 -5.656 2.408 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.081 -3.171 1.152 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.012 -4.466 -0.067 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.852 -4.861 1.660 1.00 0.00 H new ATOM 146 N THR A 9 -9.845 -6.775 -1.674 1.00 0.00 N ATOM 147 CA THR A 9 -9.300 -8.011 -2.216 1.00 0.00 C ATOM 148 C THR A 9 -7.846 -7.796 -2.608 1.00 0.00 C ATOM 149 O THR A 9 -6.973 -8.593 -2.264 1.00 0.00 O ATOM 150 CB THR A 9 -10.117 -8.477 -3.425 1.00 0.00 C ATOM 151 OG1 THR A 9 -9.856 -9.840 -3.710 1.00 0.00 O ATOM 152 CG2 THR A 9 -9.834 -7.684 -4.682 1.00 0.00 C ATOM 0 H THR A 9 -10.634 -6.395 -2.197 1.00 0.00 H new ATOM 0 HA THR A 9 -9.354 -8.787 -1.453 1.00 0.00 H new ATOM 0 HB THR A 9 -11.159 -8.323 -3.145 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.388 -10.120 -4.484 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.446 -8.066 -5.499 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.072 -6.634 -4.511 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.780 -7.779 -4.943 1.00 0.00 H new ATOM 160 N LEU A 10 -7.592 -6.693 -3.308 1.00 0.00 N ATOM 161 CA LEU A 10 -6.240 -6.359 -3.717 1.00 0.00 C ATOM 162 C LEU A 10 -5.401 -6.077 -2.487 1.00 0.00 C ATOM 163 O LEU A 10 -4.206 -6.373 -2.454 1.00 0.00 O ATOM 164 CB LEU A 10 -6.226 -5.153 -4.657 1.00 0.00 C ATOM 165 CG LEU A 10 -4.846 -4.784 -5.212 1.00 0.00 C ATOM 166 CD1 LEU A 10 -4.028 -6.035 -5.508 1.00 0.00 C ATOM 167 CD2 LEU A 10 -4.989 -3.930 -6.463 1.00 0.00 C ATOM 0 H LEU A 10 -8.303 -6.022 -3.600 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.821 -7.205 -4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.896 -5.354 -5.493 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.630 -4.291 -4.125 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.317 -4.205 -4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.053 -5.748 -5.901 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.895 -6.608 -4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.550 -6.645 -6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.000 -3.676 -6.845 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.540 -4.486 -7.222 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.530 -3.015 -6.219 1.00 0.00 H new ATOM 179 N GLY A 11 -6.044 -5.538 -1.454 1.00 0.00 N ATOM 180 CA GLY A 11 -5.335 -5.274 -0.224 1.00 0.00 C ATOM 181 C GLY A 11 -4.819 -6.565 0.365 1.00 0.00 C ATOM 182 O GLY A 11 -3.796 -6.586 1.047 1.00 0.00 O ATOM 0 H GLY A 11 -7.032 -5.284 -1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.504 -4.594 -0.413 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.997 -4.780 0.487 1.00 0.00 H new ATOM 186 N GLN A 12 -5.531 -7.655 0.071 1.00 0.00 N ATOM 187 CA GLN A 12 -5.146 -8.976 0.544 1.00 0.00 C ATOM 188 C GLN A 12 -4.047 -9.551 -0.338 1.00 0.00 C ATOM 189 O GLN A 12 -3.124 -10.202 0.149 1.00 0.00 O ATOM 190 CB GLN A 12 -6.354 -9.916 0.554 1.00 0.00 C ATOM 191 CG GLN A 12 -7.436 -9.510 1.541 1.00 0.00 C ATOM 192 CD GLN A 12 -6.895 -9.276 2.937 1.00 0.00 C ATOM 193 OE1 GLN A 12 -5.968 -9.954 3.379 1.00 0.00 O ATOM 194 NE2 GLN A 12 -7.475 -8.311 3.640 1.00 0.00 N ATOM 0 H GLN A 12 -6.380 -7.643 -0.495 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.770 -8.881 1.563 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -6.783 -9.952 -0.447 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.016 -10.924 0.793 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.923 -8.601 1.187 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.200 -10.287 1.577 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.241 -7.774 3.234 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.155 -8.107 4.587 1.00 0.00 H new ATOM 203 N VAL A 13 -4.140 -9.287 -1.639 1.00 0.00 N ATOM 204 CA VAL A 13 -3.136 -9.763 -2.577 1.00 0.00 C ATOM 205 C VAL A 13 -1.840 -9.017 -2.337 1.00 0.00 C ATOM 206 O VAL A 13 -0.818 -9.612 -2.006 1.00 0.00 O ATOM 207 CB VAL A 13 -3.586 -9.565 -4.031 1.00 0.00 C ATOM 208 CG1 VAL A 13 -2.418 -9.722 -4.992 1.00 0.00 C ATOM 209 CG2 VAL A 13 -4.699 -10.540 -4.363 1.00 0.00 C ATOM 0 H VAL A 13 -4.896 -8.749 -2.062 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.992 -10.831 -2.415 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.966 -8.549 -4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.766 -9.577 -6.015 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.654 -8.980 -4.760 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.996 -10.722 -4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.014 -10.394 -5.396 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.339 -11.561 -4.234 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.545 -10.367 -3.698 1.00 0.00 H new ATOM 219 N ILE A 14 -1.902 -7.699 -2.468 1.00 0.00 N ATOM 220 CA ILE A 14 -0.746 -6.855 -2.222 1.00 0.00 C ATOM 221 C ILE A 14 -0.070 -7.292 -0.923 1.00 0.00 C ATOM 222 O ILE A 14 1.146 -7.183 -0.765 1.00 0.00 O ATOM 223 CB ILE A 14 -1.171 -5.371 -2.125 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.721 -4.597 -3.361 1.00 0.00 C ATOM 225 CG2 ILE A 14 -0.633 -4.718 -0.861 1.00 0.00 C ATOM 226 CD1 ILE A 14 -1.541 -3.356 -3.603 1.00 0.00 C ATOM 0 H ILE A 14 -2.743 -7.192 -2.744 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.045 -6.958 -3.051 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.260 -5.344 -2.076 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.327 -4.318 -3.248 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.786 -5.246 -4.234 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.951 -3.676 -0.826 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.018 -5.244 0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.456 -4.765 -0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.176 -2.847 -4.495 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.586 -3.632 -3.745 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.456 -2.690 -2.744 1.00 0.00 H new ATOM 238 N HIS A 15 -0.889 -7.798 -0.002 1.00 0.00 N ATOM 239 CA HIS A 15 -0.413 -8.270 1.283 1.00 0.00 C ATOM 240 C HIS A 15 0.110 -9.702 1.171 1.00 0.00 C ATOM 241 O HIS A 15 1.111 -10.054 1.794 1.00 0.00 O ATOM 242 CB HIS A 15 -1.545 -8.168 2.311 1.00 0.00 C ATOM 243 CG HIS A 15 -1.635 -9.318 3.260 1.00 0.00 C ATOM 244 ND1 HIS A 15 -2.600 -10.293 3.155 1.00 0.00 N ATOM 245 CD2 HIS A 15 -0.883 -9.646 4.337 1.00 0.00 C ATOM 246 CE1 HIS A 15 -2.442 -11.171 4.123 1.00 0.00 C ATOM 247 NE2 HIS A 15 -1.406 -10.804 4.855 1.00 0.00 N ATOM 0 H HIS A 15 -1.897 -7.889 -0.132 1.00 0.00 H new ATOM 0 HA HIS A 15 0.417 -7.646 1.614 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.414 -7.251 2.885 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.492 -8.079 1.780 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -3.325 -10.330 2.439 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -0.032 -9.100 4.717 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.056 -12.044 4.290 1.00 0.00 H new ATOM 256 N LYS A 16 -0.567 -10.527 0.371 1.00 0.00 N ATOM 257 CA LYS A 16 -0.145 -11.912 0.191 1.00 0.00 C ATOM 258 C LYS A 16 1.113 -11.985 -0.675 1.00 0.00 C ATOM 259 O LYS A 16 2.037 -12.743 -0.378 1.00 0.00 O ATOM 260 CB LYS A 16 -1.279 -12.753 -0.413 1.00 0.00 C ATOM 261 CG LYS A 16 -1.367 -12.703 -1.932 1.00 0.00 C ATOM 262 CD LYS A 16 -2.707 -13.222 -2.421 1.00 0.00 C ATOM 263 CE LYS A 16 -2.785 -14.738 -2.332 1.00 0.00 C ATOM 264 NZ LYS A 16 -3.903 -15.286 -3.148 1.00 0.00 N ATOM 0 H LYS A 16 -1.399 -10.263 -0.156 1.00 0.00 H new ATOM 0 HA LYS A 16 0.095 -12.326 1.170 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.148 -13.790 -0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.227 -12.413 0.004 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.224 -11.678 -2.274 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.563 -13.298 -2.365 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.508 -12.780 -1.828 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.865 -12.909 -3.453 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.843 -15.170 -2.670 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.916 -15.034 -1.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.922 -16.322 -3.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.805 -14.894 -2.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.765 -15.026 -4.145 1.00 0.00 H new ATOM 278 N ARG A 17 1.146 -11.185 -1.737 1.00 0.00 N ATOM 279 CA ARG A 17 2.297 -11.152 -2.632 1.00 0.00 C ATOM 280 C ARG A 17 3.523 -10.615 -1.903 1.00 0.00 C ATOM 281 O ARG A 17 4.631 -11.125 -2.067 1.00 0.00 O ATOM 282 CB ARG A 17 2.001 -10.281 -3.854 1.00 0.00 C ATOM 283 CG ARG A 17 0.781 -10.728 -4.641 1.00 0.00 C ATOM 284 CD ARG A 17 1.045 -10.707 -6.138 1.00 0.00 C ATOM 285 NE ARG A 17 1.503 -12.004 -6.630 1.00 0.00 N ATOM 286 CZ ARG A 17 2.148 -12.175 -7.782 1.00 0.00 C ATOM 287 NH1 ARG A 17 2.408 -11.137 -8.566 1.00 0.00 N ATOM 288 NH2 ARG A 17 2.532 -13.389 -8.151 1.00 0.00 N ATOM 0 H ARG A 17 0.390 -10.552 -1.998 1.00 0.00 H new ATOM 0 HA ARG A 17 2.499 -12.170 -2.964 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.855 -9.251 -3.528 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.870 -10.287 -4.513 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.498 -11.735 -4.335 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.061 -10.076 -4.410 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.134 -10.421 -6.663 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.794 -9.948 -6.364 1.00 0.00 H new ATOM 0 HE ARG A 17 1.318 -12.827 -6.057 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.113 -10.201 -8.287 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.903 -11.275 -9.447 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.333 -14.191 -7.553 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.026 -13.521 -9.033 1.00 0.00 H new ATOM 302 N CYS A 18 3.315 -9.583 -1.091 1.00 0.00 N ATOM 303 CA CYS A 18 4.402 -8.983 -0.331 1.00 0.00 C ATOM 304 C CYS A 18 4.840 -9.918 0.790 1.00 0.00 C ATOM 305 O CYS A 18 6.021 -10.000 1.124 1.00 0.00 O ATOM 306 CB CYS A 18 3.974 -7.627 0.238 1.00 0.00 C ATOM 307 SG CYS A 18 2.955 -7.726 1.730 1.00 0.00 S ATOM 0 H CYS A 18 2.405 -9.147 -0.944 1.00 0.00 H new ATOM 0 HA CYS A 18 5.247 -8.822 -1.000 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.867 -7.043 0.461 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.421 -7.084 -0.529 1.00 0.00 H new ATOM 0 HG CYS A 18 2.344 -8.873 1.763 1.00 0.00 H new ATOM 313 N GLU A 19 3.876 -10.632 1.361 1.00 0.00 N ATOM 314 CA GLU A 19 4.163 -11.573 2.433 1.00 0.00 C ATOM 315 C GLU A 19 5.016 -12.720 1.905 1.00 0.00 C ATOM 316 O GLU A 19 5.806 -13.311 2.641 1.00 0.00 O ATOM 317 CB GLU A 19 2.863 -12.115 3.032 1.00 0.00 C ATOM 318 CG GLU A 19 2.435 -11.402 4.304 1.00 0.00 C ATOM 319 CD GLU A 19 3.181 -11.897 5.528 1.00 0.00 C ATOM 320 OE1 GLU A 19 4.322 -11.442 5.753 1.00 0.00 O ATOM 321 OE2 GLU A 19 2.623 -12.741 6.261 1.00 0.00 O ATOM 0 H GLU A 19 2.892 -10.576 1.099 1.00 0.00 H new ATOM 0 HA GLU A 19 4.714 -11.052 3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.068 -12.028 2.292 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.986 -13.177 3.245 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.602 -10.331 4.190 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.365 -11.544 4.453 1.00 0.00 H new ATOM 328 N GLU A 20 4.849 -13.026 0.621 1.00 0.00 N ATOM 329 CA GLU A 20 5.605 -14.102 -0.012 1.00 0.00 C ATOM 330 C GLU A 20 6.801 -13.561 -0.802 1.00 0.00 C ATOM 331 O GLU A 20 7.535 -14.328 -1.424 1.00 0.00 O ATOM 332 CB GLU A 20 4.697 -14.923 -0.931 1.00 0.00 C ATOM 333 CG GLU A 20 4.127 -14.133 -2.097 1.00 0.00 C ATOM 334 CD GLU A 20 5.116 -13.976 -3.236 1.00 0.00 C ATOM 335 OE1 GLU A 20 5.199 -14.893 -4.081 1.00 0.00 O ATOM 336 OE2 GLU A 20 5.809 -12.938 -3.283 1.00 0.00 O ATOM 0 H GLU A 20 4.198 -12.545 -0.000 1.00 0.00 H new ATOM 0 HA GLU A 20 5.989 -14.745 0.780 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.261 -15.771 -1.320 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.874 -15.330 -0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.231 -14.632 -2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.822 -13.147 -1.748 1.00 0.00 H new ATOM 343 N MET A 21 6.996 -12.241 -0.776 1.00 0.00 N ATOM 344 CA MET A 21 8.107 -11.616 -1.492 1.00 0.00 C ATOM 345 C MET A 21 9.434 -12.268 -1.124 1.00 0.00 C ATOM 346 O MET A 21 9.734 -12.474 0.051 1.00 0.00 O ATOM 347 CB MET A 21 8.164 -10.117 -1.187 1.00 0.00 C ATOM 348 CG MET A 21 7.563 -9.253 -2.283 1.00 0.00 C ATOM 349 SD MET A 21 8.499 -9.341 -3.822 1.00 0.00 S ATOM 350 CE MET A 21 8.799 -7.606 -4.156 1.00 0.00 C ATOM 0 H MET A 21 6.400 -11.587 -0.268 1.00 0.00 H new ATOM 0 HA MET A 21 7.937 -11.758 -2.559 1.00 0.00 H new ATOM 0 HB2 MET A 21 7.637 -9.924 -0.253 1.00 0.00 H new ATOM 0 HB3 MET A 21 9.203 -9.825 -1.033 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.536 -9.568 -2.468 1.00 0.00 H new ATOM 0 HG3 MET A 21 7.523 -8.218 -1.944 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.916 -7.457 -5.229 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.956 -7.015 -3.797 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.708 -7.289 -3.645 1.00 0.00 H new ATOM 360 N LYS A 22 10.228 -12.581 -2.140 1.00 0.00 N ATOM 361 CA LYS A 22 11.528 -13.200 -1.928 1.00 0.00 C ATOM 362 C LYS A 22 12.616 -12.138 -1.767 1.00 0.00 C ATOM 363 O LYS A 22 13.784 -12.464 -1.560 1.00 0.00 O ATOM 364 CB LYS A 22 11.871 -14.129 -3.095 1.00 0.00 C ATOM 365 CG LYS A 22 11.604 -15.596 -2.802 1.00 0.00 C ATOM 366 CD LYS A 22 12.862 -16.307 -2.331 1.00 0.00 C ATOM 367 CE LYS A 22 12.900 -16.426 -0.816 1.00 0.00 C ATOM 368 NZ LYS A 22 13.915 -17.415 -0.362 1.00 0.00 N ATOM 0 H LYS A 22 9.994 -12.416 -3.119 1.00 0.00 H new ATOM 0 HA LYS A 22 11.479 -13.786 -1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.292 -13.830 -3.969 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.923 -14.004 -3.351 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.830 -15.681 -2.040 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.223 -16.084 -3.699 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.908 -17.301 -2.776 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.740 -15.762 -2.676 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.123 -15.452 -0.381 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.917 -16.721 -0.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.909 -17.466 0.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.689 -18.350 -0.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.857 -17.120 -0.689 1.00 0.00 H new ATOM 382 N TYR A 23 12.227 -10.866 -1.865 1.00 0.00 N ATOM 383 CA TYR A 23 13.180 -9.769 -1.730 1.00 0.00 C ATOM 384 C TYR A 23 12.532 -8.549 -1.081 1.00 0.00 C ATOM 385 O TYR A 23 11.311 -8.395 -1.109 1.00 0.00 O ATOM 386 CB TYR A 23 13.751 -9.394 -3.097 1.00 0.00 C ATOM 387 CG TYR A 23 15.006 -10.157 -3.456 1.00 0.00 C ATOM 388 CD1 TYR A 23 14.942 -11.486 -3.853 1.00 0.00 C ATOM 389 CD2 TYR A 23 16.253 -9.549 -3.394 1.00 0.00 C ATOM 390 CE1 TYR A 23 16.087 -12.189 -4.180 1.00 0.00 C ATOM 391 CE2 TYR A 23 17.402 -10.244 -3.720 1.00 0.00 C ATOM 392 CZ TYR A 23 17.314 -11.563 -4.112 1.00 0.00 C ATOM 393 OH TYR A 23 18.455 -12.259 -4.437 1.00 0.00 O ATOM 0 H TYR A 23 11.265 -10.573 -2.036 1.00 0.00 H new ATOM 0 HA TYR A 23 13.990 -10.106 -1.083 1.00 0.00 H new ATOM 0 HB2 TYR A 23 12.994 -9.575 -3.860 1.00 0.00 H new ATOM 0 HB3 TYR A 23 13.968 -8.326 -3.111 1.00 0.00 H new ATOM 0 HD1 TYR A 23 13.982 -11.979 -3.907 1.00 0.00 H new ATOM 0 HD2 TYR A 23 16.326 -8.516 -3.086 1.00 0.00 H new ATOM 0 HE1 TYR A 23 16.021 -13.222 -4.487 1.00 0.00 H new ATOM 0 HE2 TYR A 23 18.364 -9.756 -3.668 1.00 0.00 H new ATOM 0 HH TYR A 23 19.235 -11.674 -4.338 1.00 0.00 H new ATOM 403 N CYS A 24 13.367 -7.684 -0.504 1.00 0.00 N ATOM 404 CA CYS A 24 12.904 -6.463 0.156 1.00 0.00 C ATOM 405 C CYS A 24 11.590 -6.683 0.903 1.00 0.00 C ATOM 406 O CYS A 24 10.711 -5.821 0.896 1.00 0.00 O ATOM 407 CB CYS A 24 12.736 -5.346 -0.871 1.00 0.00 C ATOM 408 SG CYS A 24 14.233 -4.985 -1.818 1.00 0.00 S ATOM 0 H CYS A 24 14.379 -7.809 -0.481 1.00 0.00 H new ATOM 0 HA CYS A 24 13.659 -6.178 0.889 1.00 0.00 H new ATOM 0 HB2 CYS A 24 11.939 -5.619 -1.562 1.00 0.00 H new ATOM 0 HB3 CYS A 24 12.416 -4.439 -0.357 1.00 0.00 H new ATOM 0 HG CYS A 24 15.043 -6.000 -1.753 1.00 0.00 H new ATOM 414 N LYS A 25 11.457 -7.841 1.541 1.00 0.00 N ATOM 415 CA LYS A 25 10.243 -8.162 2.281 1.00 0.00 C ATOM 416 C LYS A 25 9.971 -7.135 3.371 1.00 0.00 C ATOM 417 O LYS A 25 8.823 -6.775 3.616 1.00 0.00 O ATOM 418 CB LYS A 25 10.335 -9.549 2.904 1.00 0.00 C ATOM 419 CG LYS A 25 10.572 -10.659 1.894 1.00 0.00 C ATOM 420 CD LYS A 25 12.048 -11.010 1.783 1.00 0.00 C ATOM 421 CE LYS A 25 12.274 -12.510 1.874 1.00 0.00 C ATOM 422 NZ LYS A 25 11.881 -13.052 3.205 1.00 0.00 N ATOM 0 H LYS A 25 12.171 -8.569 1.561 1.00 0.00 H new ATOM 0 HA LYS A 25 9.418 -8.144 1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.144 -9.556 3.635 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.413 -9.755 3.447 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.008 -11.545 2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.197 -10.350 0.918 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.441 -10.639 0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.603 -10.509 2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.701 -13.011 1.094 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.325 -12.731 1.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.410 -13.927 3.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.097 -12.351 3.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.861 -13.257 3.209 1.00 0.00 H new ATOM 436 N LYS A 26 11.030 -6.665 4.027 1.00 0.00 N ATOM 437 CA LYS A 26 10.888 -5.675 5.094 1.00 0.00 C ATOM 438 C LYS A 26 9.859 -4.617 4.707 1.00 0.00 C ATOM 439 O LYS A 26 8.815 -4.478 5.348 1.00 0.00 O ATOM 440 CB LYS A 26 12.236 -5.012 5.386 1.00 0.00 C ATOM 441 CG LYS A 26 13.234 -5.935 6.065 1.00 0.00 C ATOM 442 CD LYS A 26 14.658 -5.644 5.617 1.00 0.00 C ATOM 443 CE LYS A 26 15.636 -5.720 6.779 1.00 0.00 C ATOM 444 NZ LYS A 26 16.975 -6.207 6.347 1.00 0.00 N ATOM 0 H LYS A 26 11.991 -6.951 3.840 1.00 0.00 H new ATOM 0 HA LYS A 26 10.543 -6.185 5.993 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.665 -4.652 4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.073 -4.139 6.018 1.00 0.00 H new ATOM 0 HG2 LYS A 26 13.161 -5.819 7.146 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.985 -6.972 5.838 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.951 -6.357 4.847 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.703 -4.652 5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.737 -4.734 7.233 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.238 -6.385 7.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.612 -6.244 7.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.883 -7.158 5.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.367 -5.559 5.634 1.00 0.00 H new ATOM 458 N GLN A 27 10.153 -3.890 3.638 1.00 0.00 N ATOM 459 CA GLN A 27 9.250 -2.862 3.149 1.00 0.00 C ATOM 460 C GLN A 27 8.009 -3.493 2.527 1.00 0.00 C ATOM 461 O GLN A 27 6.883 -3.122 2.855 1.00 0.00 O ATOM 462 CB GLN A 27 9.959 -1.975 2.125 1.00 0.00 C ATOM 463 CG GLN A 27 11.326 -1.496 2.583 1.00 0.00 C ATOM 464 CD GLN A 27 12.461 -2.172 1.839 1.00 0.00 C ATOM 465 OE1 GLN A 27 12.631 -3.389 1.913 1.00 0.00 O ATOM 466 NE2 GLN A 27 13.247 -1.383 1.115 1.00 0.00 N ATOM 0 H GLN A 27 11.010 -3.994 3.094 1.00 0.00 H new ATOM 0 HA GLN A 27 8.941 -2.246 3.993 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.070 -2.528 1.192 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.332 -1.109 1.910 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.395 -0.417 2.441 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.434 -1.684 3.651 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.070 -0.379 1.081 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.027 -1.781 0.593 1.00 0.00 H new ATOM 475 N CYS A 28 8.219 -4.454 1.626 1.00 0.00 N ATOM 476 CA CYS A 28 7.107 -5.131 0.962 1.00 0.00 C ATOM 477 C CYS A 28 6.045 -5.544 1.974 1.00 0.00 C ATOM 478 O CYS A 28 4.892 -5.125 1.882 1.00 0.00 O ATOM 479 CB CYS A 28 7.607 -6.353 0.192 1.00 0.00 C ATOM 480 SG CYS A 28 8.693 -5.954 -1.198 1.00 0.00 S ATOM 0 H CYS A 28 9.143 -4.779 1.341 1.00 0.00 H new ATOM 0 HA CYS A 28 6.657 -4.433 0.256 1.00 0.00 H new ATOM 0 HB2 CYS A 28 8.140 -7.009 0.880 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.748 -6.911 -0.180 1.00 0.00 H new ATOM 0 HG CYS A 28 9.907 -5.786 -0.766 1.00 0.00 H new ATOM 486 N ARG A 29 6.444 -6.358 2.948 1.00 0.00 N ATOM 487 CA ARG A 29 5.525 -6.812 3.985 1.00 0.00 C ATOM 488 C ARG A 29 4.751 -5.634 4.569 1.00 0.00 C ATOM 489 O ARG A 29 3.554 -5.735 4.835 1.00 0.00 O ATOM 490 CB ARG A 29 6.290 -7.534 5.093 1.00 0.00 C ATOM 491 CG ARG A 29 6.894 -8.852 4.645 1.00 0.00 C ATOM 492 CD ARG A 29 7.197 -9.762 5.825 1.00 0.00 C ATOM 493 NE ARG A 29 8.619 -10.088 5.915 1.00 0.00 N ATOM 494 CZ ARG A 29 9.107 -11.080 6.657 1.00 0.00 C ATOM 495 NH1 ARG A 29 8.293 -11.843 7.376 1.00 0.00 N ATOM 496 NH2 ARG A 29 10.413 -11.309 6.680 1.00 0.00 N ATOM 0 H ARG A 29 7.395 -6.715 3.040 1.00 0.00 H new ATOM 0 HA ARG A 29 4.816 -7.506 3.534 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.085 -6.884 5.459 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.616 -7.717 5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.206 -9.355 3.965 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.811 -8.661 4.088 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.877 -9.278 6.748 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.620 -10.682 5.731 1.00 0.00 H new ATOM 0 HE ARG A 29 9.276 -9.522 5.378 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.288 -11.671 7.362 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.673 -12.601 7.942 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.043 -10.725 6.130 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.788 -12.069 7.248 1.00 0.00 H new ATOM 510 N ARG A 30 5.445 -4.515 4.759 1.00 0.00 N ATOM 511 CA ARG A 30 4.819 -3.318 5.305 1.00 0.00 C ATOM 512 C ARG A 30 3.758 -2.771 4.358 1.00 0.00 C ATOM 513 O ARG A 30 2.659 -2.432 4.783 1.00 0.00 O ATOM 514 CB ARG A 30 5.862 -2.235 5.571 1.00 0.00 C ATOM 515 CG ARG A 30 6.284 -2.138 7.029 1.00 0.00 C ATOM 516 CD ARG A 30 6.943 -3.422 7.508 1.00 0.00 C ATOM 517 NE ARG A 30 8.255 -3.174 8.102 1.00 0.00 N ATOM 518 CZ ARG A 30 9.180 -4.116 8.277 1.00 0.00 C ATOM 519 NH1 ARG A 30 8.941 -5.368 7.906 1.00 0.00 N ATOM 520 NH2 ARG A 30 10.346 -3.805 8.826 1.00 0.00 N ATOM 0 H ARG A 30 6.437 -4.414 4.543 1.00 0.00 H new ATOM 0 HA ARG A 30 4.343 -3.600 6.244 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.742 -2.433 4.959 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.462 -1.272 5.253 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.976 -1.305 7.153 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.412 -1.923 7.647 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.299 -3.909 8.241 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.049 -4.110 6.669 1.00 0.00 H new ATOM 0 HE ARG A 30 8.475 -2.224 8.400 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.045 -5.613 7.484 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.653 -6.085 8.043 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.534 -2.845 9.114 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.055 -4.526 8.960 1.00 0.00 H new ATOM 534 N LEU A 31 4.093 -2.681 3.073 1.00 0.00 N ATOM 535 CA LEU A 31 3.151 -2.163 2.082 1.00 0.00 C ATOM 536 C LEU A 31 1.822 -2.896 2.178 1.00 0.00 C ATOM 537 O LEU A 31 0.763 -2.277 2.267 1.00 0.00 O ATOM 538 CB LEU A 31 3.716 -2.298 0.665 1.00 0.00 C ATOM 539 CG LEU A 31 2.773 -1.858 -0.464 1.00 0.00 C ATOM 540 CD1 LEU A 31 2.147 -0.500 -0.158 1.00 0.00 C ATOM 541 CD2 LEU A 31 3.520 -1.814 -1.791 1.00 0.00 C ATOM 0 H LEU A 31 5.000 -2.957 2.696 1.00 0.00 H new ATOM 0 HA LEU A 31 2.992 -1.106 2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.632 -1.711 0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.992 -3.339 0.500 1.00 0.00 H new ATOM 0 HG LEU A 31 1.969 -2.590 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.484 -0.213 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.576 -0.563 0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.933 0.247 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.839 -1.500 -2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.345 -1.105 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.912 -2.805 -2.021 1.00 0.00 H new ATOM 553 N GLY A 32 1.890 -4.219 2.166 1.00 0.00 N ATOM 554 CA GLY A 32 0.690 -5.020 2.257 1.00 0.00 C ATOM 555 C GLY A 32 0.018 -4.898 3.607 1.00 0.00 C ATOM 556 O GLY A 32 -1.184 -4.643 3.688 1.00 0.00 O ATOM 0 H GLY A 32 2.757 -4.752 2.095 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.008 -4.714 1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.938 -6.065 2.071 1.00 0.00 H new ATOM 560 N HIS A 33 0.792 -5.078 4.671 1.00 0.00 N ATOM 561 CA HIS A 33 0.256 -4.982 6.022 1.00 0.00 C ATOM 562 C HIS A 33 -0.302 -3.586 6.277 1.00 0.00 C ATOM 563 O HIS A 33 -1.310 -3.429 6.965 1.00 0.00 O ATOM 564 CB HIS A 33 1.333 -5.319 7.056 1.00 0.00 C ATOM 565 CG HIS A 33 0.865 -6.262 8.120 1.00 0.00 C ATOM 566 ND1 HIS A 33 0.756 -5.905 9.448 1.00 0.00 N ATOM 567 CD2 HIS A 33 0.475 -7.557 8.048 1.00 0.00 C ATOM 568 CE1 HIS A 33 0.320 -6.939 10.146 1.00 0.00 C ATOM 569 NE2 HIS A 33 0.141 -7.953 9.320 1.00 0.00 N ATOM 0 H HIS A 33 1.789 -5.290 4.624 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.554 -5.705 6.119 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.191 -5.756 6.546 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.677 -4.397 7.525 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.434 -8.165 7.156 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.141 -6.952 11.211 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.192 -8.881 9.584 1.00 0.00 H new ATOM 578 N ARG A 34 0.342 -2.575 5.698 1.00 0.00 N ATOM 579 CA ARG A 34 -0.121 -1.205 5.849 1.00 0.00 C ATOM 580 C ARG A 34 -1.327 -1.000 4.955 1.00 0.00 C ATOM 581 O ARG A 34 -2.328 -0.408 5.359 1.00 0.00 O ATOM 582 CB ARG A 34 0.986 -0.210 5.500 1.00 0.00 C ATOM 583 CG ARG A 34 1.986 -0.004 6.627 1.00 0.00 C ATOM 584 CD ARG A 34 3.417 -0.194 6.150 1.00 0.00 C ATOM 585 NE ARG A 34 4.346 0.701 6.835 1.00 0.00 N ATOM 586 CZ ARG A 34 4.639 0.617 8.131 1.00 0.00 C ATOM 587 NH1 ARG A 34 4.081 -0.321 8.886 1.00 0.00 N ATOM 588 NH2 ARG A 34 5.495 1.472 8.674 1.00 0.00 N ATOM 0 H ARG A 34 1.179 -2.681 5.125 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.399 -1.029 6.888 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.515 -0.561 4.614 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.536 0.749 5.243 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.869 0.999 7.038 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.775 -0.706 7.434 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.720 -1.228 6.316 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.468 -0.016 5.076 1.00 0.00 H new ATOM 0 HE ARG A 34 4.797 1.434 6.288 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.423 -0.983 8.474 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.310 -0.380 9.878 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.929 2.194 8.099 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.719 1.408 9.667 1.00 0.00 H new ATOM 602 N VAL A 35 -1.235 -1.539 3.743 1.00 0.00 N ATOM 603 CA VAL A 35 -2.336 -1.463 2.793 1.00 0.00 C ATOM 604 C VAL A 35 -3.578 -2.088 3.419 1.00 0.00 C ATOM 605 O VAL A 35 -4.664 -1.510 3.391 1.00 0.00 O ATOM 606 CB VAL A 35 -1.993 -2.191 1.473 1.00 0.00 C ATOM 607 CG1 VAL A 35 -3.253 -2.608 0.725 1.00 0.00 C ATOM 608 CG2 VAL A 35 -1.114 -1.313 0.593 1.00 0.00 C ATOM 0 H VAL A 35 -0.411 -2.031 3.398 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.520 -0.415 2.558 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.441 -3.097 1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.976 -3.117 -0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.840 -3.282 1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.845 -1.724 0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.882 -1.841 -0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.641 -0.388 0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.188 -1.081 1.120 1.00 0.00 H new ATOM 618 N LEU A 36 -3.395 -3.269 4.007 1.00 0.00 N ATOM 619 CA LEU A 36 -4.484 -3.974 4.672 1.00 0.00 C ATOM 620 C LEU A 36 -5.149 -3.058 5.689 1.00 0.00 C ATOM 621 O LEU A 36 -6.374 -2.988 5.778 1.00 0.00 O ATOM 622 CB LEU A 36 -3.958 -5.227 5.384 1.00 0.00 C ATOM 623 CG LEU A 36 -3.700 -6.443 4.491 1.00 0.00 C ATOM 624 CD1 LEU A 36 -3.453 -7.680 5.340 1.00 0.00 C ATOM 625 CD2 LEU A 36 -4.870 -6.678 3.554 1.00 0.00 C ATOM 0 H LEU A 36 -2.500 -3.757 4.035 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.212 -4.274 3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.029 -4.970 5.892 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.675 -5.512 6.155 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.812 -6.244 3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.271 -8.536 4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.584 -7.516 5.977 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.327 -7.875 5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.666 -7.547 2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.774 -6.855 4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.012 -5.801 2.922 1.00 0.00 H new ATOM 637 N GLY A 37 -4.319 -2.351 6.450 1.00 0.00 N ATOM 638 CA GLY A 37 -4.825 -1.436 7.455 1.00 0.00 C ATOM 639 C GLY A 37 -5.710 -0.362 6.859 1.00 0.00 C ATOM 640 O GLY A 37 -6.569 0.191 7.542 1.00 0.00 O ATOM 0 H GLY A 37 -3.302 -2.396 6.387 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.389 -1.995 8.202 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.987 -0.968 7.972 1.00 0.00 H new ATOM 644 N LEU A 38 -5.504 -0.069 5.579 1.00 0.00 N ATOM 645 CA LEU A 38 -6.298 0.939 4.888 1.00 0.00 C ATOM 646 C LEU A 38 -7.642 0.346 4.495 1.00 0.00 C ATOM 647 O LEU A 38 -8.665 1.031 4.489 1.00 0.00 O ATOM 648 CB LEU A 38 -5.564 1.447 3.647 1.00 0.00 C ATOM 649 CG LEU A 38 -4.314 2.283 3.929 1.00 0.00 C ATOM 650 CD1 LEU A 38 -3.655 2.709 2.628 1.00 0.00 C ATOM 651 CD2 LEU A 38 -4.661 3.501 4.776 1.00 0.00 C ATOM 0 H LEU A 38 -4.793 -0.516 5.000 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.457 1.783 5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.279 0.590 3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.256 2.045 3.054 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.609 1.668 4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.768 3.303 2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.369 1.825 2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.355 3.306 2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.758 4.082 4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.385 4.119 4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.088 3.175 5.724 1.00 0.00 H new ATOM 663 N ILE A 39 -7.626 -0.946 4.183 1.00 0.00 N ATOM 664 CA ILE A 39 -8.831 -1.664 3.805 1.00 0.00 C ATOM 665 C ILE A 39 -9.563 -2.159 5.050 1.00 0.00 C ATOM 666 O ILE A 39 -10.758 -2.451 5.009 1.00 0.00 O ATOM 667 CB ILE A 39 -8.513 -2.859 2.860 1.00 0.00 C ATOM 668 CG1 ILE A 39 -8.616 -4.205 3.591 1.00 0.00 C ATOM 669 CG2 ILE A 39 -7.131 -2.706 2.243 1.00 0.00 C ATOM 670 CD1 ILE A 39 -8.185 -5.390 2.748 1.00 0.00 C ATOM 0 H ILE A 39 -6.782 -1.519 4.186 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.474 -0.971 3.262 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.260 -2.849 2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.002 -4.168 4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.646 -4.355 3.914 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.930 -3.552 1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.090 -1.782 1.667 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.381 -2.674 3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.285 -6.306 3.330 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.815 -5.454 1.861 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.145 -5.263 2.447 1.00 0.00 H new ATOM 682 N LYS A 40 -8.827 -2.257 6.156 1.00 0.00 N ATOM 683 CA LYS A 40 -9.395 -2.726 7.417 1.00 0.00 C ATOM 684 C LYS A 40 -10.631 -1.912 7.823 1.00 0.00 C ATOM 685 O LYS A 40 -11.725 -2.463 7.927 1.00 0.00 O ATOM 686 CB LYS A 40 -8.338 -2.691 8.527 1.00 0.00 C ATOM 687 CG LYS A 40 -7.449 -3.927 8.577 1.00 0.00 C ATOM 688 CD LYS A 40 -8.261 -5.212 8.585 1.00 0.00 C ATOM 689 CE LYS A 40 -7.621 -6.270 9.470 1.00 0.00 C ATOM 690 NZ LYS A 40 -7.290 -5.740 10.821 1.00 0.00 N ATOM 0 H LYS A 40 -7.837 -2.018 6.204 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.717 -3.757 7.270 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.711 -1.810 8.389 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.839 -2.578 9.488 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.779 -3.927 7.717 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.823 -3.888 9.469 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.271 -5.003 8.938 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.351 -5.593 7.568 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.298 -7.118 9.569 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.714 -6.641 8.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.347 -6.509 11.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.326 -5.349 10.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.965 -4.991 11.075 1.00 0.00 H new ATOM 704 N PRO A 41 -10.489 -0.590 8.059 1.00 0.00 N ATOM 705 CA PRO A 41 -11.623 0.256 8.449 1.00 0.00 C ATOM 706 C PRO A 41 -12.798 0.112 7.493 1.00 0.00 C ATOM 707 O PRO A 41 -13.955 0.124 7.913 1.00 0.00 O ATOM 708 CB PRO A 41 -11.057 1.680 8.401 1.00 0.00 C ATOM 709 CG PRO A 41 -9.584 1.517 8.556 1.00 0.00 C ATOM 710 CD PRO A 41 -9.234 0.177 7.965 1.00 0.00 C ATOM 0 HA PRO A 41 -12.015 -0.017 9.429 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.303 2.170 7.459 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.472 2.296 9.199 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.050 2.317 8.044 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.298 1.564 9.607 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.900 0.271 6.932 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.428 -0.306 8.518 1.00 0.00 H new ATOM 718 N LEU A 42 -12.499 -0.038 6.208 1.00 0.00 N ATOM 719 CA LEU A 42 -13.543 -0.199 5.208 1.00 0.00 C ATOM 720 C LEU A 42 -14.337 -1.465 5.480 1.00 0.00 C ATOM 721 O LEU A 42 -15.559 -1.479 5.366 1.00 0.00 O ATOM 722 CB LEU A 42 -12.947 -0.257 3.805 1.00 0.00 C ATOM 723 CG LEU A 42 -11.993 0.881 3.456 1.00 0.00 C ATOM 724 CD1 LEU A 42 -11.107 0.478 2.292 1.00 0.00 C ATOM 725 CD2 LEU A 42 -12.769 2.148 3.130 1.00 0.00 C ATOM 0 H LEU A 42 -11.549 -0.051 5.838 1.00 0.00 H new ATOM 0 HA LEU A 42 -14.207 0.663 5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.416 -1.202 3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.762 -0.261 3.081 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.360 1.086 4.319 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.429 1.297 2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.528 -0.404 2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.727 0.252 1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.072 2.949 2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -13.425 1.964 2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.367 2.441 3.993 1.00 0.00 H new ATOM 737 N GLU A 43 -13.635 -2.531 5.850 1.00 0.00 N ATOM 738 CA GLU A 43 -14.283 -3.799 6.147 1.00 0.00 C ATOM 739 C GLU A 43 -15.436 -3.586 7.121 1.00 0.00 C ATOM 740 O GLU A 43 -16.433 -4.302 7.086 1.00 0.00 O ATOM 741 CB GLU A 43 -13.281 -4.799 6.729 1.00 0.00 C ATOM 742 CG GLU A 43 -12.245 -5.277 5.726 1.00 0.00 C ATOM 743 CD GLU A 43 -11.403 -6.420 6.258 1.00 0.00 C ATOM 744 OE1 GLU A 43 -10.670 -6.208 7.247 1.00 0.00 O ATOM 745 OE2 GLU A 43 -11.475 -7.528 5.685 1.00 0.00 O ATOM 0 H GLU A 43 -12.620 -2.540 5.951 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.676 -4.208 5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.770 -4.338 7.574 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.824 -5.661 7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.748 -5.596 4.813 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.594 -4.445 5.457 1.00 0.00 H new ATOM 752 N MET A 44 -15.299 -2.583 7.984 1.00 0.00 N ATOM 753 CA MET A 44 -16.343 -2.272 8.951 1.00 0.00 C ATOM 754 C MET A 44 -17.416 -1.393 8.311 1.00 0.00 C ATOM 755 O MET A 44 -18.572 -1.397 8.734 1.00 0.00 O ATOM 756 CB MET A 44 -15.747 -1.566 10.171 1.00 0.00 C ATOM 757 CG MET A 44 -14.549 -2.289 10.766 1.00 0.00 C ATOM 758 SD MET A 44 -13.424 -1.174 11.627 1.00 0.00 S ATOM 759 CE MET A 44 -11.876 -2.061 11.461 1.00 0.00 C ATOM 0 H MET A 44 -14.480 -1.976 8.032 1.00 0.00 H new ATOM 0 HA MET A 44 -16.801 -3.206 9.275 1.00 0.00 H new ATOM 0 HB2 MET A 44 -15.448 -0.557 9.887 1.00 0.00 H new ATOM 0 HB3 MET A 44 -16.518 -1.466 10.935 1.00 0.00 H new ATOM 0 HG2 MET A 44 -14.899 -3.054 11.460 1.00 0.00 H new ATOM 0 HG3 MET A 44 -14.008 -2.803 9.971 1.00 0.00 H new ATOM 0 HE1 MET A 44 -11.044 -1.369 11.595 1.00 0.00 H new ATOM 0 HE2 MET A 44 -11.822 -2.844 12.218 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.819 -2.510 10.470 1.00 0.00 H new ATOM 769 N LEU A 45 -17.018 -0.636 7.290 1.00 0.00 N ATOM 770 CA LEU A 45 -17.933 0.256 6.588 1.00 0.00 C ATOM 771 C LEU A 45 -18.601 -0.433 5.398 1.00 0.00 C ATOM 772 O LEU A 45 -19.826 -0.531 5.329 1.00 0.00 O ATOM 773 CB LEU A 45 -17.179 1.494 6.103 1.00 0.00 C ATOM 774 CG LEU A 45 -17.279 2.713 7.017 1.00 0.00 C ATOM 775 CD1 LEU A 45 -16.158 2.702 8.045 1.00 0.00 C ATOM 776 CD2 LEU A 45 -17.242 3.990 6.194 1.00 0.00 C ATOM 0 H LEU A 45 -16.063 -0.624 6.931 1.00 0.00 H new ATOM 0 HA LEU A 45 -18.715 0.545 7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.127 1.235 5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -17.556 1.767 5.117 1.00 0.00 H new ATOM 0 HG LEU A 45 -18.229 2.673 7.550 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -16.245 3.578 8.688 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -16.229 1.799 8.651 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -15.195 2.721 7.534 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -17.314 4.852 6.857 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -16.306 4.037 5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -18.079 3.998 5.496 1.00 0.00 H new ATOM 788 N GLN A 46 -17.789 -0.890 4.451 1.00 0.00 N ATOM 789 CA GLN A 46 -18.302 -1.547 3.254 1.00 0.00 C ATOM 790 C GLN A 46 -18.971 -2.880 3.581 1.00 0.00 C ATOM 791 O GLN A 46 -20.005 -3.217 3.005 1.00 0.00 O ATOM 792 CB GLN A 46 -17.175 -1.759 2.238 1.00 0.00 C ATOM 793 CG GLN A 46 -16.173 -2.830 2.642 1.00 0.00 C ATOM 794 CD GLN A 46 -16.574 -4.211 2.162 1.00 0.00 C ATOM 795 OE1 GLN A 46 -17.265 -4.354 1.153 1.00 0.00 O ATOM 796 NE2 GLN A 46 -16.142 -5.238 2.885 1.00 0.00 N ATOM 0 H GLN A 46 -16.772 -0.818 4.489 1.00 0.00 H new ATOM 0 HA GLN A 46 -19.059 -0.893 2.821 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -17.612 -2.029 1.277 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -16.646 -0.817 2.095 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -15.193 -2.578 2.236 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -16.075 -2.840 3.728 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.571 -5.074 3.714 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -16.381 -6.191 2.611 1.00 0.00 H new ATOM 805 N ASP A 47 -18.376 -3.643 4.493 1.00 0.00 N ATOM 806 CA ASP A 47 -18.930 -4.942 4.863 1.00 0.00 C ATOM 807 C ASP A 47 -20.099 -4.803 5.838 1.00 0.00 C ATOM 808 O ASP A 47 -21.227 -5.181 5.520 1.00 0.00 O ATOM 809 CB ASP A 47 -17.847 -5.835 5.469 1.00 0.00 C ATOM 810 CG ASP A 47 -17.928 -7.263 4.968 1.00 0.00 C ATOM 811 OD1 ASP A 47 -17.823 -7.469 3.741 1.00 0.00 O ATOM 812 OD2 ASP A 47 -18.097 -8.176 5.803 1.00 0.00 O ATOM 0 H ASP A 47 -17.520 -3.389 4.985 1.00 0.00 H new ATOM 0 HA ASP A 47 -19.307 -5.405 3.951 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.866 -5.424 5.230 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.940 -5.828 6.555 1.00 0.00 H new ATOM 928 N SER A 55 -20.828 7.784 -3.911 1.00 0.00 N ATOM 929 CA SER A 55 -21.002 8.994 -4.708 1.00 0.00 C ATOM 930 C SER A 55 -19.934 9.093 -5.792 1.00 0.00 C ATOM 931 O SER A 55 -18.994 8.299 -5.826 1.00 0.00 O ATOM 932 CB SER A 55 -20.950 10.232 -3.811 1.00 0.00 C ATOM 933 OG SER A 55 -21.874 11.215 -4.245 1.00 0.00 O ATOM 0 HA SER A 55 -21.978 8.942 -5.190 1.00 0.00 H new ATOM 0 HB2 SER A 55 -21.172 9.949 -2.782 1.00 0.00 H new ATOM 0 HB3 SER A 55 -19.942 10.648 -3.817 1.00 0.00 H new ATOM 0 HG SER A 55 -21.823 11.995 -3.655 1.00 0.00 H new ATOM 939 N GLU A 56 -20.085 10.073 -6.677 1.00 0.00 N ATOM 940 CA GLU A 56 -19.134 10.276 -7.764 1.00 0.00 C ATOM 941 C GLU A 56 -17.732 10.529 -7.220 1.00 0.00 C ATOM 942 O GLU A 56 -16.739 10.111 -7.816 1.00 0.00 O ATOM 943 CB GLU A 56 -19.572 11.450 -8.642 1.00 0.00 C ATOM 944 CG GLU A 56 -18.744 11.604 -9.908 1.00 0.00 C ATOM 945 CD GLU A 56 -18.394 13.049 -10.204 1.00 0.00 C ATOM 946 OE1 GLU A 56 -17.466 13.579 -9.559 1.00 0.00 O ATOM 947 OE2 GLU A 56 -19.049 13.650 -11.082 1.00 0.00 O ATOM 0 H GLU A 56 -20.857 10.739 -6.663 1.00 0.00 H new ATOM 0 HA GLU A 56 -19.112 9.369 -8.368 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -20.619 11.318 -8.916 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.508 12.371 -8.062 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.826 11.025 -9.810 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -19.295 11.188 -10.751 1.00 0.00 H new ATOM 954 N LYS A 57 -17.657 11.215 -6.084 1.00 0.00 N ATOM 955 CA LYS A 57 -16.376 11.521 -5.461 1.00 0.00 C ATOM 956 C LYS A 57 -15.832 10.305 -4.718 1.00 0.00 C ATOM 957 O LYS A 57 -14.645 9.992 -4.805 1.00 0.00 O ATOM 958 CB LYS A 57 -16.520 12.702 -4.499 1.00 0.00 C ATOM 959 CG LYS A 57 -15.918 13.994 -5.029 1.00 0.00 C ATOM 960 CD LYS A 57 -14.446 13.825 -5.372 1.00 0.00 C ATOM 961 CE LYS A 57 -13.553 14.548 -4.375 1.00 0.00 C ATOM 962 NZ LYS A 57 -12.255 14.952 -4.983 1.00 0.00 N ATOM 0 H LYS A 57 -18.468 11.569 -5.577 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.671 11.790 -6.248 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.578 12.863 -4.289 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -16.042 12.449 -3.552 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.465 14.314 -5.916 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.031 14.781 -4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.194 12.765 -5.385 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.259 14.209 -6.375 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.069 15.432 -4.000 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.367 13.900 -3.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.676 15.441 -4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.751 14.107 -5.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.431 15.591 -5.785 1.00 0.00 H new ATOM 976 N LEU A 58 -16.709 9.620 -3.990 1.00 0.00 N ATOM 977 CA LEU A 58 -16.314 8.437 -3.236 1.00 0.00 C ATOM 978 C LEU A 58 -15.717 7.385 -4.163 1.00 0.00 C ATOM 979 O LEU A 58 -14.627 6.870 -3.914 1.00 0.00 O ATOM 980 CB LEU A 58 -17.514 7.856 -2.486 1.00 0.00 C ATOM 981 CG LEU A 58 -17.239 6.557 -1.723 1.00 0.00 C ATOM 982 CD1 LEU A 58 -15.977 6.684 -0.884 1.00 0.00 C ATOM 983 CD2 LEU A 58 -18.428 6.192 -0.847 1.00 0.00 C ATOM 0 H LEU A 58 -17.696 9.864 -3.907 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.556 8.732 -2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -17.878 8.603 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -18.317 7.676 -3.201 1.00 0.00 H new ATOM 0 HG LEU A 58 -17.087 5.759 -2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.800 5.750 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -15.128 6.897 -1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.097 7.495 -0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -18.215 5.266 -0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -18.611 6.992 -0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -19.311 6.056 -1.471 1.00 0.00 H new ATOM 995 N THR A 59 -16.435 7.076 -5.238 1.00 0.00 N ATOM 996 CA THR A 59 -15.969 6.093 -6.207 1.00 0.00 C ATOM 997 C THR A 59 -14.638 6.532 -6.808 1.00 0.00 C ATOM 998 O THR A 59 -13.747 5.714 -7.031 1.00 0.00 O ATOM 999 CB THR A 59 -17.010 5.897 -7.313 1.00 0.00 C ATOM 1000 OG1 THR A 59 -16.731 4.728 -8.063 1.00 0.00 O ATOM 1001 CG2 THR A 59 -17.084 7.057 -8.284 1.00 0.00 C ATOM 0 H THR A 59 -17.340 7.492 -5.459 1.00 0.00 H new ATOM 0 HA THR A 59 -15.825 5.143 -5.693 1.00 0.00 H new ATOM 0 HB THR A 59 -17.966 5.818 -6.795 1.00 0.00 H new ATOM 0 HG1 THR A 59 -17.408 4.620 -8.764 1.00 0.00 H new ATOM 0 HG21 THR A 59 -17.841 6.851 -9.040 1.00 0.00 H new ATOM 0 HG22 THR A 59 -17.348 7.967 -7.745 1.00 0.00 H new ATOM 0 HG23 THR A 59 -16.116 7.190 -8.767 1.00 0.00 H new ATOM 1009 N THR A 60 -14.510 7.832 -7.061 1.00 0.00 N ATOM 1010 CA THR A 60 -13.284 8.381 -7.627 1.00 0.00 C ATOM 1011 C THR A 60 -12.111 8.130 -6.685 1.00 0.00 C ATOM 1012 O THR A 60 -10.993 7.863 -7.124 1.00 0.00 O ATOM 1013 CB THR A 60 -13.452 9.882 -7.911 1.00 0.00 C ATOM 1014 OG1 THR A 60 -13.067 10.183 -9.241 1.00 0.00 O ATOM 1015 CG2 THR A 60 -12.650 10.781 -6.992 1.00 0.00 C ATOM 0 H THR A 60 -15.239 8.522 -6.883 1.00 0.00 H new ATOM 0 HA THR A 60 -13.075 7.880 -8.572 1.00 0.00 H new ATOM 0 HB THR A 60 -14.510 10.081 -7.740 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.182 11.142 -9.406 1.00 0.00 H new ATOM 0 HG21 THR A 60 -12.825 11.823 -7.259 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.958 10.614 -5.960 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.589 10.553 -7.095 1.00 0.00 H new ATOM 1023 N ALA A 61 -12.385 8.194 -5.385 1.00 0.00 N ATOM 1024 CA ALA A 61 -11.360 7.949 -4.381 1.00 0.00 C ATOM 1025 C ALA A 61 -10.999 6.478 -4.383 1.00 0.00 C ATOM 1026 O ALA A 61 -9.839 6.106 -4.559 1.00 0.00 O ATOM 1027 CB ALA A 61 -11.842 8.372 -3.004 1.00 0.00 C ATOM 0 H ALA A 61 -13.306 8.413 -5.005 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.477 8.540 -4.624 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.060 8.180 -2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -12.078 9.436 -3.012 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.734 7.804 -2.741 1.00 0.00 H new ATOM 1033 N MET A 62 -12.017 5.642 -4.217 1.00 0.00 N ATOM 1034 CA MET A 62 -11.829 4.206 -4.231 1.00 0.00 C ATOM 1035 C MET A 62 -11.225 3.794 -5.567 1.00 0.00 C ATOM 1036 O MET A 62 -10.463 2.832 -5.648 1.00 0.00 O ATOM 1037 CB MET A 62 -13.162 3.501 -3.996 1.00 0.00 C ATOM 1038 CG MET A 62 -13.865 3.949 -2.724 1.00 0.00 C ATOM 1039 SD MET A 62 -15.596 3.451 -2.673 1.00 0.00 S ATOM 1040 CE MET A 62 -15.487 1.814 -3.385 1.00 0.00 C ATOM 0 H MET A 62 -12.982 5.940 -4.071 1.00 0.00 H new ATOM 0 HA MET A 62 -11.149 3.915 -3.431 1.00 0.00 H new ATOM 0 HB2 MET A 62 -13.817 3.684 -4.848 1.00 0.00 H new ATOM 0 HB3 MET A 62 -12.993 2.425 -3.949 1.00 0.00 H new ATOM 0 HG2 MET A 62 -13.346 3.532 -1.861 1.00 0.00 H new ATOM 0 HG3 MET A 62 -13.801 5.034 -2.641 1.00 0.00 H new ATOM 0 HE1 MET A 62 -16.273 1.184 -2.970 1.00 0.00 H new ATOM 0 HE2 MET A 62 -15.607 1.879 -4.466 1.00 0.00 H new ATOM 0 HE3 MET A 62 -14.514 1.380 -3.153 1.00 0.00 H new ATOM 1050 N ASN A 63 -11.543 4.560 -6.612 1.00 0.00 N ATOM 1051 CA ASN A 63 -10.995 4.296 -7.934 1.00 0.00 C ATOM 1052 C ASN A 63 -9.498 4.538 -7.888 1.00 0.00 C ATOM 1053 O ASN A 63 -8.700 3.682 -8.270 1.00 0.00 O ATOM 1054 CB ASN A 63 -11.644 5.199 -8.985 1.00 0.00 C ATOM 1055 CG ASN A 63 -12.904 4.597 -9.573 1.00 0.00 C ATOM 1056 OD1 ASN A 63 -12.909 3.450 -10.019 1.00 0.00 O ATOM 1057 ND2 ASN A 63 -13.983 5.372 -9.577 1.00 0.00 N ATOM 0 H ASN A 63 -12.173 5.361 -6.565 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.201 3.263 -8.213 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -11.882 6.162 -8.534 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -10.929 5.390 -9.786 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -14.861 5.022 -9.960 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.933 6.317 -9.197 1.00 0.00 H new ATOM 1064 N ARG A 64 -9.126 5.704 -7.367 1.00 0.00 N ATOM 1065 CA ARG A 64 -7.726 6.056 -7.208 1.00 0.00 C ATOM 1066 C ARG A 64 -7.075 5.050 -6.272 1.00 0.00 C ATOM 1067 O ARG A 64 -5.900 4.717 -6.407 1.00 0.00 O ATOM 1068 CB ARG A 64 -7.599 7.467 -6.627 1.00 0.00 C ATOM 1069 CG ARG A 64 -7.039 8.485 -7.604 1.00 0.00 C ATOM 1070 CD ARG A 64 -8.029 9.609 -7.876 1.00 0.00 C ATOM 1071 NE ARG A 64 -8.504 9.597 -9.258 1.00 0.00 N ATOM 1072 CZ ARG A 64 -9.210 10.582 -9.808 1.00 0.00 C ATOM 1073 NH1 ARG A 64 -9.525 11.658 -9.097 1.00 0.00 N ATOM 1074 NH2 ARG A 64 -9.602 10.492 -11.072 1.00 0.00 N ATOM 0 H ARG A 64 -9.779 6.420 -7.048 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.230 6.037 -8.178 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.581 7.801 -6.292 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.957 7.431 -5.747 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.115 8.903 -7.204 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.785 7.989 -8.541 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.879 9.515 -7.200 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.556 10.568 -7.663 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.281 8.786 -9.835 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.226 11.732 -8.125 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.066 12.410 -9.523 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.362 9.668 -11.623 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.143 11.247 -11.493 1.00 0.00 H new ATOM 1088 N PHE A 65 -7.874 4.572 -5.320 1.00 0.00 N ATOM 1089 CA PHE A 65 -7.431 3.594 -4.338 1.00 0.00 C ATOM 1090 C PHE A 65 -7.121 2.269 -5.016 1.00 0.00 C ATOM 1091 O PHE A 65 -5.982 1.802 -5.008 1.00 0.00 O ATOM 1092 CB PHE A 65 -8.533 3.410 -3.300 1.00 0.00 C ATOM 1093 CG PHE A 65 -8.090 2.830 -1.988 1.00 0.00 C ATOM 1094 CD1 PHE A 65 -6.757 2.831 -1.592 1.00 0.00 C ATOM 1095 CD2 PHE A 65 -9.035 2.292 -1.137 1.00 0.00 C ATOM 1096 CE1 PHE A 65 -6.387 2.298 -0.372 1.00 0.00 C ATOM 1097 CE2 PHE A 65 -8.673 1.762 0.080 1.00 0.00 C ATOM 1098 CZ PHE A 65 -7.346 1.762 0.465 1.00 0.00 C ATOM 0 H PHE A 65 -8.848 4.855 -5.211 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.522 3.947 -3.852 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.997 4.378 -3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -9.303 2.764 -3.722 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.005 3.252 -2.243 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.074 2.287 -1.431 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.349 2.301 -0.073 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.425 1.346 0.734 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.059 1.344 1.419 1.00 0.00 H new ATOM 1108 N LYS A 66 -8.147 1.676 -5.615 1.00 0.00 N ATOM 1109 CA LYS A 66 -8.002 0.412 -6.318 1.00 0.00 C ATOM 1110 C LYS A 66 -6.868 0.502 -7.336 1.00 0.00 C ATOM 1111 O LYS A 66 -6.118 -0.455 -7.535 1.00 0.00 O ATOM 1112 CB LYS A 66 -9.344 0.052 -6.973 1.00 0.00 C ATOM 1113 CG LYS A 66 -9.244 -0.668 -8.302 1.00 0.00 C ATOM 1114 CD LYS A 66 -9.427 0.289 -9.470 1.00 0.00 C ATOM 1115 CE LYS A 66 -8.167 0.396 -10.315 1.00 0.00 C ATOM 1116 NZ LYS A 66 -8.452 0.201 -11.763 1.00 0.00 N ATOM 0 H LYS A 66 -9.094 2.055 -5.626 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.738 -0.383 -5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.911 -0.572 -6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.916 0.968 -7.117 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.273 -1.157 -8.380 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.000 -1.451 -8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.254 -0.051 -10.093 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.697 1.275 -9.093 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.710 1.374 -10.163 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.443 -0.349 -9.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.568 0.281 -12.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.865 -0.742 -11.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.123 0.927 -12.086 1.00 0.00 H new ATOM 1130 N ALA A 67 -6.733 1.668 -7.954 1.00 0.00 N ATOM 1131 CA ALA A 67 -5.672 1.895 -8.924 1.00 0.00 C ATOM 1132 C ALA A 67 -4.337 2.057 -8.206 1.00 0.00 C ATOM 1133 O ALA A 67 -3.351 1.405 -8.545 1.00 0.00 O ATOM 1134 CB ALA A 67 -5.977 3.121 -9.771 1.00 0.00 C ATOM 0 H ALA A 67 -7.345 2.470 -7.801 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.611 1.032 -9.587 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.173 3.275 -10.491 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.916 2.971 -10.303 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.061 3.996 -9.127 1.00 0.00 H new ATOM 1140 N ALA A 68 -4.320 2.920 -7.194 1.00 0.00 N ATOM 1141 CA ALA A 68 -3.112 3.154 -6.413 1.00 0.00 C ATOM 1142 C ALA A 68 -2.535 1.831 -5.928 1.00 0.00 C ATOM 1143 O ALA A 68 -1.319 1.666 -5.832 1.00 0.00 O ATOM 1144 CB ALA A 68 -3.409 4.074 -5.235 1.00 0.00 C ATOM 0 H ALA A 68 -5.128 3.467 -6.897 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.373 3.642 -7.049 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.496 4.238 -4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.782 5.029 -5.604 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.161 3.614 -4.594 1.00 0.00 H new ATOM 1150 N LEU A 69 -3.423 0.885 -5.641 1.00 0.00 N ATOM 1151 CA LEU A 69 -3.013 -0.433 -5.186 1.00 0.00 C ATOM 1152 C LEU A 69 -2.211 -1.135 -6.269 1.00 0.00 C ATOM 1153 O LEU A 69 -1.114 -1.632 -6.016 1.00 0.00 O ATOM 1154 CB LEU A 69 -4.233 -1.268 -4.809 1.00 0.00 C ATOM 1155 CG LEU A 69 -4.781 -0.992 -3.413 1.00 0.00 C ATOM 1156 CD1 LEU A 69 -6.281 -1.237 -3.364 1.00 0.00 C ATOM 1157 CD2 LEU A 69 -4.057 -1.846 -2.386 1.00 0.00 C ATOM 0 H LEU A 69 -4.433 1.010 -5.717 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.385 -0.317 -4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.022 -1.085 -5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.971 -2.324 -4.881 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.606 0.057 -3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.650 -1.034 -2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.781 -0.578 -4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.489 -2.275 -3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.458 -1.639 -1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.201 -2.900 -2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.993 -1.612 -2.404 1.00 0.00 H new ATOM 1169 N GLU A 70 -2.754 -1.155 -7.487 1.00 0.00 N ATOM 1170 CA GLU A 70 -2.066 -1.778 -8.612 1.00 0.00 C ATOM 1171 C GLU A 70 -0.616 -1.311 -8.647 1.00 0.00 C ATOM 1172 O GLU A 70 0.273 -2.039 -9.084 1.00 0.00 O ATOM 1173 CB GLU A 70 -2.779 -1.458 -9.935 1.00 0.00 C ATOM 1174 CG GLU A 70 -2.367 -0.137 -10.565 1.00 0.00 C ATOM 1175 CD GLU A 70 -3.543 0.620 -11.153 1.00 0.00 C ATOM 1176 OE1 GLU A 70 -4.407 -0.024 -11.785 1.00 0.00 O ATOM 1177 OE2 GLU A 70 -3.599 1.856 -10.982 1.00 0.00 O ATOM 0 H GLU A 70 -3.661 -0.749 -7.716 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.084 -2.860 -8.483 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.582 -2.262 -10.644 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.855 -1.444 -9.760 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.879 0.484 -9.813 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.633 -0.325 -11.348 1.00 0.00 H new ATOM 1184 N GLU A 71 -0.384 -0.097 -8.148 1.00 0.00 N ATOM 1185 CA GLU A 71 0.960 0.450 -8.086 1.00 0.00 C ATOM 1186 C GLU A 71 1.781 -0.354 -7.085 1.00 0.00 C ATOM 1187 O GLU A 71 2.852 -0.861 -7.415 1.00 0.00 O ATOM 1188 CB GLU A 71 0.924 1.926 -7.687 1.00 0.00 C ATOM 1189 CG GLU A 71 -0.183 2.715 -8.370 1.00 0.00 C ATOM 1190 CD GLU A 71 -0.200 2.518 -9.874 1.00 0.00 C ATOM 1191 OE1 GLU A 71 0.870 2.221 -10.446 1.00 0.00 O ATOM 1192 OE2 GLU A 71 -1.283 2.663 -10.479 1.00 0.00 O ATOM 0 H GLU A 71 -1.110 0.520 -7.784 1.00 0.00 H new ATOM 0 HA GLU A 71 1.422 0.381 -9.071 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.797 1.999 -6.607 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.885 2.382 -7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.146 2.414 -7.957 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.058 3.775 -8.148 1.00 0.00 H new ATOM 1199 N ALA A 72 1.255 -0.496 -5.866 1.00 0.00 N ATOM 1200 CA ALA A 72 1.929 -1.274 -4.838 1.00 0.00 C ATOM 1201 C ALA A 72 2.063 -2.721 -5.295 1.00 0.00 C ATOM 1202 O ALA A 72 3.156 -3.287 -5.292 1.00 0.00 O ATOM 1203 CB ALA A 72 1.164 -1.196 -3.526 1.00 0.00 C ATOM 0 H ALA A 72 0.370 -0.083 -5.573 1.00 0.00 H new ATOM 0 HA ALA A 72 2.925 -0.862 -4.675 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.682 -1.783 -2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.103 -0.157 -3.201 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.158 -1.591 -3.667 1.00 0.00 H new ATOM 1209 N ASN A 73 0.941 -3.309 -5.709 1.00 0.00 N ATOM 1210 CA ASN A 73 0.933 -4.684 -6.196 1.00 0.00 C ATOM 1211 C ASN A 73 1.867 -4.820 -7.391 1.00 0.00 C ATOM 1212 O ASN A 73 2.608 -5.795 -7.510 1.00 0.00 O ATOM 1213 CB ASN A 73 -0.481 -5.105 -6.599 1.00 0.00 C ATOM 1214 CG ASN A 73 -0.745 -6.575 -6.333 1.00 0.00 C ATOM 1215 OD1 ASN A 73 -0.164 -7.167 -5.423 1.00 0.00 O ATOM 1216 ND2 ASN A 73 -1.624 -7.172 -7.129 1.00 0.00 N ATOM 0 H ASN A 73 0.028 -2.854 -5.716 1.00 0.00 H new ATOM 0 HA ASN A 73 1.277 -5.335 -5.392 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.206 -4.504 -6.051 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.631 -4.898 -7.659 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.841 -8.160 -6.999 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.082 -6.643 -7.871 1.00 0.00 H new ATOM 1223 N GLY A 74 1.830 -3.821 -8.267 1.00 0.00 N ATOM 1224 CA GLY A 74 2.682 -3.830 -9.439 1.00 0.00 C ATOM 1225 C GLY A 74 4.135 -3.649 -9.066 1.00 0.00 C ATOM 1226 O GLY A 74 5.018 -4.284 -9.642 1.00 0.00 O ATOM 0 H GLY A 74 1.224 -3.005 -8.185 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.557 -4.771 -9.974 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.377 -3.034 -10.118 1.00 0.00 H new ATOM 1230 N GLU A 75 4.379 -2.789 -8.084 1.00 0.00 N ATOM 1231 CA GLU A 75 5.729 -2.536 -7.612 1.00 0.00 C ATOM 1232 C GLU A 75 6.274 -3.786 -6.934 1.00 0.00 C ATOM 1233 O GLU A 75 7.406 -4.199 -7.182 1.00 0.00 O ATOM 1234 CB GLU A 75 5.744 -1.344 -6.647 1.00 0.00 C ATOM 1235 CG GLU A 75 5.596 -0.001 -7.339 1.00 0.00 C ATOM 1236 CD GLU A 75 6.903 0.504 -7.919 1.00 0.00 C ATOM 1237 OE1 GLU A 75 7.679 -0.323 -8.443 1.00 0.00 O ATOM 1238 OE2 GLU A 75 7.150 1.726 -7.849 1.00 0.00 O ATOM 0 H GLU A 75 3.656 -2.256 -7.601 1.00 0.00 H new ATOM 0 HA GLU A 75 6.366 -2.289 -8.461 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.937 -1.462 -5.924 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.678 -1.353 -6.086 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.858 -0.087 -8.137 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.212 0.730 -6.627 1.00 0.00 H new ATOM 1245 N ILE A 76 5.443 -4.399 -6.097 1.00 0.00 N ATOM 1246 CA ILE A 76 5.818 -5.619 -5.402 1.00 0.00 C ATOM 1247 C ILE A 76 5.954 -6.766 -6.399 1.00 0.00 C ATOM 1248 O ILE A 76 6.785 -7.658 -6.230 1.00 0.00 O ATOM 1249 CB ILE A 76 4.773 -5.994 -4.328 1.00 0.00 C ATOM 1250 CG1 ILE A 76 4.702 -4.906 -3.255 1.00 0.00 C ATOM 1251 CG2 ILE A 76 5.103 -7.344 -3.702 1.00 0.00 C ATOM 1252 CD1 ILE A 76 3.437 -4.957 -2.428 1.00 0.00 C ATOM 0 H ILE A 76 4.502 -4.067 -5.885 1.00 0.00 H new ATOM 0 HA ILE A 76 6.774 -5.444 -4.909 1.00 0.00 H new ATOM 0 HB ILE A 76 3.798 -6.073 -4.808 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.563 -5.002 -2.594 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.775 -3.929 -3.734 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.354 -7.588 -2.948 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.105 -8.113 -4.475 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.087 -7.298 -3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.454 -4.157 -1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.572 -4.831 -3.079 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.372 -5.920 -1.921 1.00 0.00 H new ATOM 1264 N GLU A 77 5.132 -6.724 -7.443 1.00 0.00 N ATOM 1265 CA GLU A 77 5.154 -7.747 -8.480 1.00 0.00 C ATOM 1266 C GLU A 77 6.387 -7.583 -9.362 1.00 0.00 C ATOM 1267 O GLU A 77 7.123 -8.540 -9.603 1.00 0.00 O ATOM 1268 CB GLU A 77 3.883 -7.666 -9.330 1.00 0.00 C ATOM 1269 CG GLU A 77 3.858 -8.646 -10.492 1.00 0.00 C ATOM 1270 CD GLU A 77 3.302 -8.031 -11.762 1.00 0.00 C ATOM 1271 OE1 GLU A 77 2.369 -7.207 -11.663 1.00 0.00 O ATOM 1272 OE2 GLU A 77 3.800 -8.373 -12.855 1.00 0.00 O ATOM 0 H GLU A 77 4.440 -5.989 -7.592 1.00 0.00 H new ATOM 0 HA GLU A 77 5.195 -8.726 -8.002 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.018 -7.851 -8.692 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.781 -6.653 -9.719 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.869 -9.007 -10.680 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.256 -9.513 -10.219 1.00 0.00 H new ATOM 1279 N LYS A 78 6.609 -6.361 -9.837 1.00 0.00 N ATOM 1280 CA LYS A 78 7.758 -6.072 -10.686 1.00 0.00 C ATOM 1281 C LYS A 78 9.060 -6.284 -9.919 1.00 0.00 C ATOM 1282 O LYS A 78 10.109 -6.530 -10.512 1.00 0.00 O ATOM 1283 CB LYS A 78 7.686 -4.636 -11.208 1.00 0.00 C ATOM 1284 CG LYS A 78 8.586 -4.380 -12.406 1.00 0.00 C ATOM 1285 CD LYS A 78 8.940 -2.907 -12.531 1.00 0.00 C ATOM 1286 CE LYS A 78 9.960 -2.489 -11.485 1.00 0.00 C ATOM 1287 NZ LYS A 78 10.066 -1.008 -11.373 1.00 0.00 N ATOM 0 H LYS A 78 6.010 -5.558 -9.649 1.00 0.00 H new ATOM 0 HA LYS A 78 7.738 -6.757 -11.533 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.656 -4.409 -11.483 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.960 -3.952 -10.405 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.499 -4.968 -12.309 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.087 -4.714 -13.316 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.337 -2.710 -13.527 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.038 -2.304 -12.423 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.680 -2.907 -10.518 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.934 -2.904 -11.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.772 -0.764 -10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.358 -0.611 -12.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.143 -0.613 -11.103 1.00 0.00 H new ATOM 1301 N PHE A 79 8.981 -6.188 -8.595 1.00 0.00 N ATOM 1302 CA PHE A 79 10.149 -6.369 -7.743 1.00 0.00 C ATOM 1303 C PHE A 79 10.312 -7.831 -7.332 1.00 0.00 C ATOM 1304 O PHE A 79 11.354 -8.223 -6.808 1.00 0.00 O ATOM 1305 CB PHE A 79 10.032 -5.489 -6.499 1.00 0.00 C ATOM 1306 CG PHE A 79 10.544 -4.092 -6.706 1.00 0.00 C ATOM 1307 CD1 PHE A 79 11.784 -3.874 -7.287 1.00 0.00 C ATOM 1308 CD2 PHE A 79 9.786 -2.998 -6.322 1.00 0.00 C ATOM 1309 CE1 PHE A 79 12.257 -2.590 -7.480 1.00 0.00 C ATOM 1310 CE2 PHE A 79 10.255 -1.713 -6.513 1.00 0.00 C ATOM 1311 CZ PHE A 79 11.492 -1.508 -7.092 1.00 0.00 C ATOM 0 H PHE A 79 8.118 -5.986 -8.090 1.00 0.00 H new ATOM 0 HA PHE A 79 11.031 -6.075 -8.313 1.00 0.00 H new ATOM 0 HB2 PHE A 79 8.987 -5.443 -6.192 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.584 -5.953 -5.682 1.00 0.00 H new ATOM 0 HD1 PHE A 79 12.387 -4.717 -7.592 1.00 0.00 H new ATOM 0 HD2 PHE A 79 8.818 -3.151 -5.868 1.00 0.00 H new ATOM 0 HE1 PHE A 79 13.224 -2.433 -7.934 1.00 0.00 H new ATOM 0 HE2 PHE A 79 9.654 -0.868 -6.210 1.00 0.00 H new ATOM 0 HZ PHE A 79 11.860 -0.504 -7.241 1.00 0.00 H new ATOM 1321 N SER A 80 9.277 -8.636 -7.570 1.00 0.00 N ATOM 1322 CA SER A 80 9.315 -10.052 -7.221 1.00 0.00 C ATOM 1323 C SER A 80 10.544 -10.729 -7.818 1.00 0.00 C ATOM 1324 O SER A 80 11.105 -11.653 -7.228 1.00 0.00 O ATOM 1325 CB SER A 80 8.044 -10.753 -7.706 1.00 0.00 C ATOM 1326 OG SER A 80 6.884 -10.070 -7.263 1.00 0.00 O ATOM 0 H SER A 80 8.405 -8.331 -8.002 1.00 0.00 H new ATOM 0 HA SER A 80 9.373 -10.131 -6.135 1.00 0.00 H new ATOM 0 HB2 SER A 80 8.046 -10.804 -8.795 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.028 -11.779 -7.339 1.00 0.00 H new ATOM 0 HG SER A 80 7.146 -9.304 -6.711 1.00 0.00 H new ATOM 1332 N ASN A 81 10.959 -10.261 -8.989 1.00 0.00 N ATOM 1333 CA ASN A 81 12.125 -10.817 -9.662 1.00 0.00 C ATOM 1334 C ASN A 81 13.410 -10.304 -9.021 1.00 0.00 C ATOM 1335 O ASN A 81 13.750 -9.128 -9.148 1.00 0.00 O ATOM 1336 CB ASN A 81 12.104 -10.457 -11.149 1.00 0.00 C ATOM 1337 CG ASN A 81 12.653 -11.569 -12.021 1.00 0.00 C ATOM 1338 OD1 ASN A 81 12.179 -12.704 -11.973 1.00 0.00 O ATOM 1339 ND2 ASN A 81 13.660 -11.247 -12.825 1.00 0.00 N ATOM 0 H ASN A 81 10.505 -9.498 -9.492 1.00 0.00 H new ATOM 0 HA ASN A 81 12.093 -11.902 -9.560 1.00 0.00 H new ATOM 0 HB2 ASN A 81 11.081 -10.233 -11.451 1.00 0.00 H new ATOM 0 HB3 ASN A 81 12.689 -9.551 -11.309 1.00 0.00 H new ATOM 0 HD21 ASN A 81 14.071 -11.953 -13.435 1.00 0.00 H new ATOM 0 HD22 ASN A 81 14.022 -10.293 -12.832 1.00 0.00 H new ATOM 1346 N ARG A 82 14.119 -11.192 -8.330 1.00 0.00 N ATOM 1347 CA ARG A 82 15.367 -10.828 -7.664 1.00 0.00 C ATOM 1348 C ARG A 82 16.277 -10.041 -8.602 1.00 0.00 C ATOM 1349 O ARG A 82 17.004 -9.146 -8.171 1.00 0.00 O ATOM 1350 CB ARG A 82 16.088 -12.083 -7.168 1.00 0.00 C ATOM 1351 CG ARG A 82 16.570 -12.992 -8.289 1.00 0.00 C ATOM 1352 CD ARG A 82 16.400 -14.460 -7.929 1.00 0.00 C ATOM 1353 NE ARG A 82 16.322 -15.308 -9.116 1.00 0.00 N ATOM 1354 CZ ARG A 82 15.843 -16.550 -9.110 1.00 0.00 C ATOM 1355 NH1 ARG A 82 15.399 -17.092 -7.983 1.00 0.00 N ATOM 1356 NH2 ARG A 82 15.807 -17.252 -10.234 1.00 0.00 N ATOM 0 H ARG A 82 13.851 -12.170 -8.216 1.00 0.00 H new ATOM 0 HA ARG A 82 15.123 -10.195 -6.811 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.943 -11.785 -6.561 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.416 -12.645 -6.519 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.014 -12.773 -9.201 1.00 0.00 H new ATOM 0 HG3 ARG A 82 17.620 -12.787 -8.499 1.00 0.00 H new ATOM 0 HD2 ARG A 82 17.237 -14.781 -7.309 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.496 -14.585 -7.334 1.00 0.00 H new ATOM 0 HE ARG A 82 16.654 -14.926 -10.002 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.424 -16.556 -7.115 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.033 -18.044 -7.985 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.146 -16.840 -11.103 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.440 -18.204 -10.229 1.00 0.00 H new ATOM 1370 N SER A 83 16.226 -10.376 -9.888 1.00 0.00 N ATOM 1371 CA SER A 83 17.040 -9.695 -10.887 1.00 0.00 C ATOM 1372 C SER A 83 16.729 -8.203 -10.902 1.00 0.00 C ATOM 1373 O SER A 83 17.604 -7.376 -11.159 1.00 0.00 O ATOM 1374 CB SER A 83 16.794 -10.297 -12.272 1.00 0.00 C ATOM 1375 OG SER A 83 17.890 -11.096 -12.683 1.00 0.00 O ATOM 0 H SER A 83 15.630 -11.114 -10.262 1.00 0.00 H new ATOM 0 HA SER A 83 18.090 -9.829 -10.626 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.887 -10.901 -12.254 1.00 0.00 H new ATOM 0 HB3 SER A 83 16.631 -9.498 -12.995 1.00 0.00 H new ATOM 0 HG SER A 83 17.707 -11.470 -13.570 1.00 0.00 H new ATOM 1381 N ASN A 84 15.474 -7.867 -10.620 1.00 0.00 N ATOM 1382 CA ASN A 84 15.042 -6.476 -10.594 1.00 0.00 C ATOM 1383 C ASN A 84 15.491 -5.799 -9.304 1.00 0.00 C ATOM 1384 O ASN A 84 16.034 -4.697 -9.327 1.00 0.00 O ATOM 1385 CB ASN A 84 13.521 -6.388 -10.729 1.00 0.00 C ATOM 1386 CG ASN A 84 13.090 -5.303 -11.695 1.00 0.00 C ATOM 1387 OD1 ASN A 84 13.903 -4.494 -12.142 1.00 0.00 O ATOM 1388 ND2 ASN A 84 11.804 -5.280 -12.020 1.00 0.00 N ATOM 0 H ASN A 84 14.739 -8.541 -10.406 1.00 0.00 H new ATOM 0 HA ASN A 84 15.501 -5.960 -11.437 1.00 0.00 H new ATOM 0 HB2 ASN A 84 13.133 -7.348 -11.068 1.00 0.00 H new ATOM 0 HB3 ASN A 84 13.082 -6.195 -9.750 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.454 -4.572 -12.665 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.166 -5.971 -11.625 1.00 0.00 H new ATOM 1395 N ILE A 85 15.264 -6.470 -8.180 1.00 0.00 N ATOM 1396 CA ILE A 85 15.649 -5.934 -6.878 1.00 0.00 C ATOM 1397 C ILE A 85 17.143 -5.620 -6.838 1.00 0.00 C ATOM 1398 O ILE A 85 17.542 -4.462 -6.721 1.00 0.00 O ATOM 1399 CB ILE A 85 15.308 -6.925 -5.743 1.00 0.00 C ATOM 1400 CG1 ILE A 85 13.788 -7.095 -5.626 1.00 0.00 C ATOM 1401 CG2 ILE A 85 15.911 -6.468 -4.418 1.00 0.00 C ATOM 1402 CD1 ILE A 85 13.093 -5.995 -4.844 1.00 0.00 C ATOM 0 H ILE A 85 14.816 -7.385 -8.143 1.00 0.00 H new ATOM 0 HA ILE A 85 15.084 -5.014 -6.728 1.00 0.00 H new ATOM 0 HB ILE A 85 15.745 -7.893 -5.988 1.00 0.00 H new ATOM 0 HG12 ILE A 85 13.361 -7.137 -6.628 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.577 -8.052 -5.149 1.00 0.00 H new ATOM 0 HG21 ILE A 85 15.656 -7.183 -3.636 1.00 0.00 H new ATOM 0 HG22 ILE A 85 16.995 -6.406 -4.514 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.513 -5.487 -4.156 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.022 -6.194 -4.810 1.00 0.00 H new ATOM 0 HD12 ILE A 85 13.489 -5.965 -3.829 1.00 0.00 H new ATOM 0 HD13 ILE A 85 13.269 -5.036 -5.331 1.00 0.00 H new ATOM 1414 N CYS A 86 17.960 -6.663 -6.932 1.00 0.00 N ATOM 1415 CA CYS A 86 19.413 -6.514 -6.901 1.00 0.00 C ATOM 1416 C CYS A 86 19.884 -5.396 -7.828 1.00 0.00 C ATOM 1417 O CYS A 86 20.841 -4.686 -7.519 1.00 0.00 O ATOM 1418 CB CYS A 86 20.086 -7.831 -7.294 1.00 0.00 C ATOM 1419 SG CYS A 86 20.329 -8.975 -5.915 1.00 0.00 S ATOM 0 H CYS A 86 17.640 -7.626 -7.031 1.00 0.00 H new ATOM 0 HA CYS A 86 19.696 -6.249 -5.882 1.00 0.00 H new ATOM 0 HB2 CYS A 86 19.482 -8.322 -8.057 1.00 0.00 H new ATOM 0 HB3 CYS A 86 21.054 -7.612 -7.745 1.00 0.00 H new ATOM 0 HG CYS A 86 19.177 -9.279 -5.395 1.00 0.00 H new ATOM 1425 N ARG A 87 19.213 -5.244 -8.966 1.00 0.00 N ATOM 1426 CA ARG A 87 19.578 -4.210 -9.929 1.00 0.00 C ATOM 1427 C ARG A 87 18.946 -2.866 -9.566 1.00 0.00 C ATOM 1428 O ARG A 87 19.408 -1.816 -10.011 1.00 0.00 O ATOM 1429 CB ARG A 87 19.180 -4.638 -11.351 1.00 0.00 C ATOM 1430 CG ARG A 87 17.803 -4.159 -11.797 1.00 0.00 C ATOM 1431 CD ARG A 87 17.902 -2.924 -12.678 1.00 0.00 C ATOM 1432 NE ARG A 87 18.302 -3.256 -14.044 1.00 0.00 N ATOM 1433 CZ ARG A 87 17.470 -3.738 -14.964 1.00 0.00 C ATOM 1434 NH1 ARG A 87 16.193 -3.948 -14.669 1.00 0.00 N ATOM 1435 NH2 ARG A 87 17.916 -4.012 -16.182 1.00 0.00 N ATOM 0 H ARG A 87 18.418 -5.820 -9.243 1.00 0.00 H new ATOM 0 HA ARG A 87 20.660 -4.083 -9.897 1.00 0.00 H new ATOM 0 HB2 ARG A 87 19.925 -4.261 -12.051 1.00 0.00 H new ATOM 0 HB3 ARG A 87 19.208 -5.726 -11.410 1.00 0.00 H new ATOM 0 HG2 ARG A 87 17.298 -4.957 -12.342 1.00 0.00 H new ATOM 0 HG3 ARG A 87 17.193 -3.935 -10.922 1.00 0.00 H new ATOM 0 HD2 ARG A 87 16.939 -2.414 -12.696 1.00 0.00 H new ATOM 0 HD3 ARG A 87 18.623 -2.229 -12.248 1.00 0.00 H new ATOM 0 HE ARG A 87 19.276 -3.110 -14.308 1.00 0.00 H new ATOM 0 HH11 ARG A 87 15.845 -3.740 -13.733 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.560 -4.318 -15.378 1.00 0.00 H new ATOM 0 HH21 ARG A 87 18.897 -3.853 -16.414 1.00 0.00 H new ATOM 0 HH22 ARG A 87 17.279 -4.381 -16.887 1.00 0.00 H new ATOM 1449 N PHE A 88 17.889 -2.901 -8.757 1.00 0.00 N ATOM 1450 CA PHE A 88 17.207 -1.681 -8.344 1.00 0.00 C ATOM 1451 C PHE A 88 17.887 -1.068 -7.120 1.00 0.00 C ATOM 1452 O PHE A 88 17.924 0.152 -6.967 1.00 0.00 O ATOM 1453 CB PHE A 88 15.727 -1.972 -8.047 1.00 0.00 C ATOM 1454 CG PHE A 88 15.253 -1.428 -6.728 1.00 0.00 C ATOM 1455 CD1 PHE A 88 15.135 -0.062 -6.533 1.00 0.00 C ATOM 1456 CD2 PHE A 88 14.946 -2.280 -5.681 1.00 0.00 C ATOM 1457 CE1 PHE A 88 14.716 0.444 -5.320 1.00 0.00 C ATOM 1458 CE2 PHE A 88 14.532 -1.783 -4.470 1.00 0.00 C ATOM 1459 CZ PHE A 88 14.415 -0.418 -4.285 1.00 0.00 C ATOM 0 H PHE A 88 17.489 -3.759 -8.377 1.00 0.00 H new ATOM 0 HA PHE A 88 17.264 -0.962 -9.161 1.00 0.00 H new ATOM 0 HB2 PHE A 88 15.116 -1.549 -8.844 1.00 0.00 H new ATOM 0 HB3 PHE A 88 15.568 -3.050 -8.063 1.00 0.00 H new ATOM 0 HD1 PHE A 88 15.374 0.615 -7.340 1.00 0.00 H new ATOM 0 HD2 PHE A 88 15.033 -3.348 -5.818 1.00 0.00 H new ATOM 0 HE1 PHE A 88 14.624 1.511 -5.181 1.00 0.00 H new ATOM 0 HE2 PHE A 88 14.298 -2.459 -3.661 1.00 0.00 H new ATOM 0 HZ PHE A 88 14.089 -0.027 -3.333 1.00 0.00 H new ATOM 1469 N LEU A 89 18.412 -1.920 -6.245 1.00 0.00 N ATOM 1470 CA LEU A 89 19.078 -1.453 -5.034 1.00 0.00 C ATOM 1471 C LEU A 89 20.383 -0.738 -5.368 1.00 0.00 C ATOM 1472 O LEU A 89 20.533 0.455 -5.107 1.00 0.00 O ATOM 1473 CB LEU A 89 19.355 -2.625 -4.087 1.00 0.00 C ATOM 1474 CG LEU A 89 18.137 -3.476 -3.719 1.00 0.00 C ATOM 1475 CD1 LEU A 89 18.523 -4.548 -2.713 1.00 0.00 C ATOM 1476 CD2 LEU A 89 17.019 -2.607 -3.162 1.00 0.00 C ATOM 0 H LEU A 89 18.389 -2.934 -6.351 1.00 0.00 H new ATOM 0 HA LEU A 89 18.412 -0.746 -4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 89 20.103 -3.271 -4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 89 19.793 -2.232 -3.169 1.00 0.00 H new ATOM 0 HG LEU A 89 17.775 -3.961 -4.625 1.00 0.00 H new ATOM 0 HD11 LEU A 89 17.646 -5.144 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 89 19.289 -5.193 -3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 89 18.912 -4.077 -1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.164 -3.233 -2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 89 17.370 -2.091 -2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 89 16.721 -1.873 -3.911 1.00 0.00 H new ATOM 1488 N THR A 90 21.326 -1.476 -5.947 1.00 0.00 N ATOM 1489 CA THR A 90 22.620 -0.912 -6.315 1.00 0.00 C ATOM 1490 C THR A 90 22.451 0.270 -7.265 1.00 0.00 C ATOM 1491 O THR A 90 23.112 1.298 -7.118 1.00 0.00 O ATOM 1492 CB THR A 90 23.498 -1.982 -6.966 1.00 0.00 C ATOM 1493 OG1 THR A 90 24.737 -1.432 -7.377 1.00 0.00 O ATOM 1494 CG2 THR A 90 22.857 -2.626 -8.177 1.00 0.00 C ATOM 0 H THR A 90 21.218 -2.465 -6.171 1.00 0.00 H new ATOM 0 HA THR A 90 23.104 -0.556 -5.406 1.00 0.00 H new ATOM 0 HB THR A 90 23.639 -2.745 -6.201 1.00 0.00 H new ATOM 0 HG1 THR A 90 25.285 -2.132 -7.789 1.00 0.00 H new ATOM 0 HG21 THR A 90 23.532 -3.375 -8.591 1.00 0.00 H new ATOM 0 HG22 THR A 90 21.922 -3.103 -7.883 1.00 0.00 H new ATOM 0 HG23 THR A 90 22.655 -1.864 -8.930 1.00 0.00 H new ATOM 1502 N ALA A 91 21.562 0.115 -8.240 1.00 0.00 N ATOM 1503 CA ALA A 91 21.303 1.168 -9.215 1.00 0.00 C ATOM 1504 C ALA A 91 20.431 2.268 -8.621 1.00 0.00 C ATOM 1505 O ALA A 91 20.501 3.424 -9.040 1.00 0.00 O ATOM 1506 CB ALA A 91 20.642 0.583 -10.453 1.00 0.00 C ATOM 0 H ALA A 91 21.008 -0.731 -8.376 1.00 0.00 H new ATOM 0 HA ALA A 91 22.258 1.612 -9.496 1.00 0.00 H new ATOM 0 HB1 ALA A 91 20.453 1.378 -11.175 1.00 0.00 H new ATOM 0 HB2 ALA A 91 21.300 -0.163 -10.899 1.00 0.00 H new ATOM 0 HB3 ALA A 91 19.698 0.114 -10.174 1.00 0.00 H new ATOM 1512 N SER A 92 19.606 1.900 -7.647 1.00 0.00 N ATOM 1513 CA SER A 92 18.714 2.853 -6.997 1.00 0.00 C ATOM 1514 C SER A 92 17.703 3.413 -7.994 1.00 0.00 C ATOM 1515 O SER A 92 17.748 4.593 -8.343 1.00 0.00 O ATOM 1516 CB SER A 92 19.518 3.992 -6.365 1.00 0.00 C ATOM 1517 OG SER A 92 19.707 3.774 -4.978 1.00 0.00 O ATOM 0 H SER A 92 19.536 0.947 -7.290 1.00 0.00 H new ATOM 0 HA SER A 92 18.170 2.329 -6.211 1.00 0.00 H new ATOM 0 HB2 SER A 92 20.486 4.075 -6.859 1.00 0.00 H new ATOM 0 HB3 SER A 92 18.999 4.938 -6.520 1.00 0.00 H new ATOM 0 HG SER A 92 18.852 3.882 -4.510 1.00 0.00 H new ATOM 1523 N GLN A 93 16.793 2.557 -8.452 1.00 0.00 N ATOM 1524 CA GLN A 93 15.772 2.967 -9.412 1.00 0.00 C ATOM 1525 C GLN A 93 15.037 4.212 -8.926 1.00 0.00 C ATOM 1526 O GLN A 93 14.948 5.210 -9.642 1.00 0.00 O ATOM 1527 CB GLN A 93 14.775 1.831 -9.647 1.00 0.00 C ATOM 1528 CG GLN A 93 13.739 2.141 -10.715 1.00 0.00 C ATOM 1529 CD GLN A 93 14.322 2.127 -12.114 1.00 0.00 C ATOM 1530 OE1 GLN A 93 15.497 2.437 -12.312 1.00 0.00 O ATOM 1531 NE2 GLN A 93 13.502 1.768 -13.094 1.00 0.00 N ATOM 0 H GLN A 93 16.742 1.577 -8.174 1.00 0.00 H new ATOM 0 HA GLN A 93 16.269 3.204 -10.353 1.00 0.00 H new ATOM 0 HB2 GLN A 93 15.322 0.933 -9.933 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.264 1.608 -8.711 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.931 1.412 -10.655 1.00 0.00 H new ATOM 0 HG3 GLN A 93 13.301 3.119 -10.518 1.00 0.00 H new ATOM 0 HE21 GLN A 93 12.535 1.519 -12.885 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.839 1.741 -14.057 1.00 0.00 H new ATOM 1540 N ASP A 94 14.516 4.151 -7.704 1.00 0.00 N ATOM 1541 CA ASP A 94 13.798 5.279 -7.129 1.00 0.00 C ATOM 1542 C ASP A 94 14.208 5.504 -5.675 1.00 0.00 C ATOM 1543 O ASP A 94 13.568 6.271 -4.955 1.00 0.00 O ATOM 1544 CB ASP A 94 12.293 5.034 -7.213 1.00 0.00 C ATOM 1545 CG ASP A 94 11.662 5.715 -8.412 1.00 0.00 C ATOM 1546 OD1 ASP A 94 11.838 5.212 -9.542 1.00 0.00 O ATOM 1547 OD2 ASP A 94 10.992 6.752 -8.221 1.00 0.00 O ATOM 0 H ASP A 94 14.578 3.334 -7.096 1.00 0.00 H new ATOM 0 HA ASP A 94 14.052 6.173 -7.698 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.105 3.962 -7.267 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.817 5.396 -6.301 1.00 0.00 H new ATOM 1552 N LYS A 95 15.271 4.819 -5.243 1.00 0.00 N ATOM 1553 CA LYS A 95 15.762 4.928 -3.870 1.00 0.00 C ATOM 1554 C LYS A 95 14.918 4.081 -2.920 1.00 0.00 C ATOM 1555 O LYS A 95 15.350 3.763 -1.812 1.00 0.00 O ATOM 1556 CB LYS A 95 15.766 6.388 -3.405 1.00 0.00 C ATOM 1557 CG LYS A 95 16.739 6.663 -2.269 1.00 0.00 C ATOM 1558 CD LYS A 95 18.026 7.291 -2.777 1.00 0.00 C ATOM 1559 CE LYS A 95 17.833 8.760 -3.119 1.00 0.00 C ATOM 1560 NZ LYS A 95 17.781 8.987 -4.590 1.00 0.00 N ATOM 0 H LYS A 95 15.809 4.181 -5.829 1.00 0.00 H new ATOM 0 HA LYS A 95 16.786 4.554 -3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 95 16.017 7.029 -4.250 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.760 6.661 -3.085 1.00 0.00 H new ATOM 0 HG2 LYS A 95 16.272 7.326 -1.541 1.00 0.00 H new ATOM 0 HG3 LYS A 95 16.967 5.732 -1.751 1.00 0.00 H new ATOM 0 HD2 LYS A 95 18.804 7.192 -2.020 1.00 0.00 H new ATOM 0 HD3 LYS A 95 18.371 6.753 -3.660 1.00 0.00 H new ATOM 0 HE2 LYS A 95 16.911 9.120 -2.664 1.00 0.00 H new ATOM 0 HE3 LYS A 95 18.649 9.342 -2.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 18.151 9.934 -4.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 18.359 8.270 -5.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 16.797 8.916 -4.918 1.00 0.00 H new ATOM 1574 N ILE A 96 13.712 3.719 -3.357 1.00 0.00 N ATOM 1575 CA ILE A 96 12.810 2.914 -2.547 1.00 0.00 C ATOM 1576 C ILE A 96 11.820 2.153 -3.427 1.00 0.00 C ATOM 1577 O ILE A 96 11.231 2.714 -4.351 1.00 0.00 O ATOM 1578 CB ILE A 96 12.020 3.784 -1.556 1.00 0.00 C ATOM 1579 CG1 ILE A 96 12.941 4.788 -0.857 1.00 0.00 C ATOM 1580 CG2 ILE A 96 11.290 2.913 -0.542 1.00 0.00 C ATOM 1581 CD1 ILE A 96 12.241 5.614 0.192 1.00 0.00 C ATOM 0 H ILE A 96 13.340 3.974 -4.272 1.00 0.00 H new ATOM 0 HA ILE A 96 13.427 2.207 -1.992 1.00 0.00 H new ATOM 0 HB ILE A 96 11.275 4.349 -2.116 1.00 0.00 H new ATOM 0 HG12 ILE A 96 13.767 4.250 -0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 96 13.374 5.454 -1.604 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.737 3.547 0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.596 2.252 -1.062 1.00 0.00 H new ATOM 0 HG23 ILE A 96 12.014 2.315 0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 96 12.952 6.304 0.647 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.432 6.180 -0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.832 4.957 0.959 1.00 0.00 H new ATOM 1593 N LEU A 97 11.657 0.870 -3.135 1.00 0.00 N ATOM 1594 CA LEU A 97 10.759 -0.002 -3.886 1.00 0.00 C ATOM 1595 C LEU A 97 9.393 0.640 -4.164 1.00 0.00 C ATOM 1596 O LEU A 97 9.123 1.072 -5.285 1.00 0.00 O ATOM 1597 CB LEU A 97 10.576 -1.317 -3.125 1.00 0.00 C ATOM 1598 CG LEU A 97 11.875 -2.084 -2.873 1.00 0.00 C ATOM 1599 CD1 LEU A 97 12.164 -2.196 -1.389 1.00 0.00 C ATOM 1600 CD2 LEU A 97 11.841 -3.465 -3.514 1.00 0.00 C ATOM 0 H LEU A 97 12.143 0.402 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 97 11.220 -0.185 -4.857 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.101 -1.106 -2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.893 -1.956 -3.686 1.00 0.00 H new ATOM 0 HG LEU A 97 12.681 -1.517 -3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 97 13.093 -2.746 -1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 97 12.260 -1.198 -0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 97 11.347 -2.724 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 97 12.780 -3.982 -3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 97 11.015 -4.040 -3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.704 -3.363 -4.591 1.00 0.00 H new ATOM 1612 N PHE A 98 8.525 0.669 -3.154 1.00 0.00 N ATOM 1613 CA PHE A 98 7.179 1.223 -3.317 1.00 0.00 C ATOM 1614 C PHE A 98 7.012 2.570 -2.615 1.00 0.00 C ATOM 1615 O PHE A 98 5.983 2.824 -1.988 1.00 0.00 O ATOM 1616 CB PHE A 98 6.148 0.235 -2.775 1.00 0.00 C ATOM 1617 CG PHE A 98 6.414 -0.157 -1.355 1.00 0.00 C ATOM 1618 CD1 PHE A 98 7.275 -1.199 -1.064 1.00 0.00 C ATOM 1619 CD2 PHE A 98 5.817 0.529 -0.312 1.00 0.00 C ATOM 1620 CE1 PHE A 98 7.538 -1.551 0.242 1.00 0.00 C ATOM 1621 CE2 PHE A 98 6.073 0.181 0.998 1.00 0.00 C ATOM 1622 CZ PHE A 98 6.936 -0.860 1.277 1.00 0.00 C ATOM 0 H PHE A 98 8.727 0.318 -2.218 1.00 0.00 H new ATOM 0 HA PHE A 98 7.024 1.388 -4.383 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.155 0.678 -2.845 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.144 -0.658 -3.399 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.747 -1.743 -1.869 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.143 1.346 -0.526 1.00 0.00 H new ATOM 0 HE1 PHE A 98 8.214 -2.366 0.457 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.599 0.722 1.804 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.140 -1.134 2.302 1.00 0.00 H new ATOM 1632 N LYS A 99 8.007 3.440 -2.735 1.00 0.00 N ATOM 1633 CA LYS A 99 7.938 4.756 -2.124 1.00 0.00 C ATOM 1634 C LYS A 99 6.878 5.598 -2.827 1.00 0.00 C ATOM 1635 O LYS A 99 6.035 6.223 -2.183 1.00 0.00 O ATOM 1636 CB LYS A 99 9.314 5.428 -2.198 1.00 0.00 C ATOM 1637 CG LYS A 99 9.284 6.924 -2.456 1.00 0.00 C ATOM 1638 CD LYS A 99 8.853 7.696 -1.220 1.00 0.00 C ATOM 1639 CE LYS A 99 9.281 9.153 -1.296 1.00 0.00 C ATOM 1640 NZ LYS A 99 10.536 9.403 -0.535 1.00 0.00 N ATOM 0 H LYS A 99 8.868 3.256 -3.249 1.00 0.00 H new ATOM 0 HA LYS A 99 7.656 4.661 -1.075 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.841 5.246 -1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 99 9.893 4.950 -2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.273 7.260 -2.769 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.600 7.139 -3.277 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.770 7.639 -1.113 1.00 0.00 H new ATOM 0 HD3 LYS A 99 9.285 7.234 -0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 99 9.426 9.435 -2.339 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.486 9.786 -0.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 10.794 10.408 -0.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 10.390 9.158 0.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 11.302 8.818 -0.926 1.00 0.00 H new ATOM 1654 N ASP A 100 6.928 5.603 -4.156 1.00 0.00 N ATOM 1655 CA ASP A 100 5.975 6.359 -4.957 1.00 0.00 C ATOM 1656 C ASP A 100 4.547 5.939 -4.632 1.00 0.00 C ATOM 1657 O ASP A 100 3.616 6.738 -4.731 1.00 0.00 O ATOM 1658 CB ASP A 100 6.254 6.157 -6.447 1.00 0.00 C ATOM 1659 CG ASP A 100 7.649 6.603 -6.840 1.00 0.00 C ATOM 1660 OD1 ASP A 100 8.605 5.832 -6.615 1.00 0.00 O ATOM 1661 OD2 ASP A 100 7.785 7.725 -7.373 1.00 0.00 O ATOM 0 H ASP A 100 7.621 5.090 -4.701 1.00 0.00 H new ATOM 0 HA ASP A 100 6.090 7.416 -4.716 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.128 5.104 -6.698 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.520 6.713 -7.030 1.00 0.00 H new ATOM 1666 N VAL A 101 4.380 4.679 -4.236 1.00 0.00 N ATOM 1667 CA VAL A 101 3.065 4.163 -3.890 1.00 0.00 C ATOM 1668 C VAL A 101 2.636 4.671 -2.530 1.00 0.00 C ATOM 1669 O VAL A 101 1.588 5.289 -2.399 1.00 0.00 O ATOM 1670 CB VAL A 101 3.034 2.629 -3.920 1.00 0.00 C ATOM 1671 CG1 VAL A 101 1.636 2.105 -3.628 1.00 0.00 C ATOM 1672 CG2 VAL A 101 3.513 2.155 -5.273 1.00 0.00 C ATOM 0 H VAL A 101 5.138 4.002 -4.148 1.00 0.00 H new ATOM 0 HA VAL A 101 2.362 4.525 -4.640 1.00 0.00 H new ATOM 0 HB VAL A 101 3.694 2.241 -3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.643 1.015 -3.656 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.320 2.441 -2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.942 2.483 -4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.495 1.066 -5.304 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.859 2.551 -6.050 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.531 2.506 -5.442 1.00 0.00 H new ATOM 1682 N ASN A 102 3.467 4.457 -1.519 1.00 0.00 N ATOM 1683 CA ASN A 102 3.155 4.959 -0.188 1.00 0.00 C ATOM 1684 C ASN A 102 2.827 6.447 -0.288 1.00 0.00 C ATOM 1685 O ASN A 102 2.084 6.991 0.525 1.00 0.00 O ATOM 1686 CB ASN A 102 4.338 4.746 0.759 1.00 0.00 C ATOM 1687 CG ASN A 102 4.698 3.283 0.925 1.00 0.00 C ATOM 1688 OD1 ASN A 102 5.875 2.925 0.959 1.00 0.00 O ATOM 1689 ND2 ASN A 102 3.688 2.427 1.030 1.00 0.00 N ATOM 0 H ASN A 102 4.348 3.948 -1.592 1.00 0.00 H new ATOM 0 HA ASN A 102 2.299 4.415 0.212 1.00 0.00 H new ATOM 0 HB2 ASN A 102 5.204 5.288 0.380 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.098 5.170 1.734 1.00 0.00 H new ATOM 0 HD21 ASN A 102 3.874 1.431 1.144 1.00 0.00 H new ATOM 0 HD22 ASN A 102 2.727 2.766 0.997 1.00 0.00 H new ATOM 1696 N ARG A 103 3.386 7.088 -1.316 1.00 0.00 N ATOM 1697 CA ARG A 103 3.160 8.500 -1.563 1.00 0.00 C ATOM 1698 C ARG A 103 1.838 8.722 -2.289 1.00 0.00 C ATOM 1699 O ARG A 103 1.058 9.594 -1.906 1.00 0.00 O ATOM 1700 CB ARG A 103 4.301 9.084 -2.389 1.00 0.00 C ATOM 1701 CG ARG A 103 5.508 9.490 -1.560 1.00 0.00 C ATOM 1702 CD ARG A 103 6.065 10.834 -2.002 1.00 0.00 C ATOM 1703 NE ARG A 103 7.240 10.685 -2.857 1.00 0.00 N ATOM 1704 CZ ARG A 103 7.999 11.703 -3.258 1.00 0.00 C ATOM 1705 NH1 ARG A 103 7.711 12.943 -2.883 1.00 0.00 N ATOM 1706 NH2 ARG A 103 9.050 11.480 -4.036 1.00 0.00 N ATOM 0 H ARG A 103 4.003 6.640 -1.993 1.00 0.00 H new ATOM 0 HA ARG A 103 3.118 9.006 -0.598 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.612 8.350 -3.133 1.00 0.00 H new ATOM 0 HB3 ARG A 103 3.935 9.955 -2.933 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.227 9.540 -0.508 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.283 8.728 -1.647 1.00 0.00 H new ATOM 0 HD2 ARG A 103 5.294 11.387 -2.538 1.00 0.00 H new ATOM 0 HD3 ARG A 103 6.328 11.424 -1.124 1.00 0.00 H new ATOM 0 HE ARG A 103 7.494 9.746 -3.165 1.00 0.00 H new ATOM 0 HH11 ARG A 103 6.904 13.120 -2.284 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.296 13.719 -3.193 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.277 10.529 -4.327 1.00 0.00 H new ATOM 0 HH22 ARG A 103 9.632 12.260 -4.343 1.00 0.00 H new ATOM 1720 N LYS A 104 1.571 7.930 -3.335 1.00 0.00 N ATOM 1721 CA LYS A 104 0.327 8.080 -4.067 1.00 0.00 C ATOM 1722 C LYS A 104 -0.783 7.369 -3.305 1.00 0.00 C ATOM 1723 O LYS A 104 -1.830 7.946 -3.020 1.00 0.00 O ATOM 1724 CB LYS A 104 0.495 7.543 -5.500 1.00 0.00 C ATOM 1725 CG LYS A 104 -0.425 6.389 -5.880 1.00 0.00 C ATOM 1726 CD LYS A 104 0.317 5.063 -5.937 1.00 0.00 C ATOM 1727 CE LYS A 104 1.531 5.132 -6.855 1.00 0.00 C ATOM 1728 NZ LYS A 104 1.235 5.865 -8.116 1.00 0.00 N ATOM 0 H LYS A 104 2.190 7.197 -3.681 1.00 0.00 H new ATOM 0 HA LYS A 104 0.055 9.132 -4.152 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.328 8.363 -6.199 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.528 7.219 -5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.237 6.319 -5.156 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.879 6.592 -6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.636 4.782 -4.933 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.359 4.283 -6.287 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.352 5.624 -6.334 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.864 4.122 -7.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.851 5.512 -8.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.240 5.715 -8.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.407 6.881 -7.975 1.00 0.00 H new ATOM 1742 N LEU A 105 -0.513 6.117 -2.960 1.00 0.00 N ATOM 1743 CA LEU A 105 -1.441 5.287 -2.206 1.00 0.00 C ATOM 1744 C LEU A 105 -1.924 6.015 -0.947 1.00 0.00 C ATOM 1745 O LEU A 105 -3.084 5.888 -0.551 1.00 0.00 O ATOM 1746 CB LEU A 105 -0.743 3.972 -1.833 1.00 0.00 C ATOM 1747 CG LEU A 105 -1.616 2.926 -1.142 1.00 0.00 C ATOM 1748 CD1 LEU A 105 -0.934 1.569 -1.153 1.00 0.00 C ATOM 1749 CD2 LEU A 105 -1.922 3.355 0.280 1.00 0.00 C ATOM 0 H LEU A 105 0.361 5.647 -3.197 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.316 5.075 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.332 3.531 -2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.099 4.203 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.554 2.841 -1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.571 0.837 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.759 1.258 -2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.019 1.636 -0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.545 2.601 0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.991 3.465 0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.451 4.308 0.267 1.00 0.00 H new ATOM 1761 N SER A 106 -1.027 6.781 -0.324 1.00 0.00 N ATOM 1762 CA SER A 106 -1.369 7.525 0.886 1.00 0.00 C ATOM 1763 C SER A 106 -2.398 8.611 0.591 1.00 0.00 C ATOM 1764 O SER A 106 -3.481 8.631 1.175 1.00 0.00 O ATOM 1765 CB SER A 106 -0.118 8.160 1.497 1.00 0.00 C ATOM 1766 OG SER A 106 -0.461 9.167 2.434 1.00 0.00 O ATOM 0 H SER A 106 -0.063 6.901 -0.636 1.00 0.00 H new ATOM 0 HA SER A 106 -1.799 6.819 1.597 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.481 7.392 1.987 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.498 8.589 0.707 1.00 0.00 H new ATOM 0 HG SER A 106 0.356 9.555 2.811 1.00 0.00 H new ATOM 1772 N ASP A 107 -2.047 9.514 -0.318 1.00 0.00 N ATOM 1773 CA ASP A 107 -2.930 10.613 -0.696 1.00 0.00 C ATOM 1774 C ASP A 107 -4.335 10.110 -1.004 1.00 0.00 C ATOM 1775 O ASP A 107 -5.323 10.801 -0.759 1.00 0.00 O ATOM 1776 CB ASP A 107 -2.370 11.334 -1.918 1.00 0.00 C ATOM 1777 CG ASP A 107 -2.566 12.836 -1.847 1.00 0.00 C ATOM 1778 OD1 ASP A 107 -2.657 13.370 -0.722 1.00 0.00 O ATOM 1779 OD2 ASP A 107 -2.628 13.477 -2.917 1.00 0.00 O ATOM 0 H ASP A 107 -1.153 9.507 -0.809 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.987 11.303 0.146 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.306 11.114 -2.010 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.854 10.950 -2.816 1.00 0.00 H new ATOM 1784 N VAL A 108 -4.411 8.903 -1.546 1.00 0.00 N ATOM 1785 CA VAL A 108 -5.688 8.301 -1.894 1.00 0.00 C ATOM 1786 C VAL A 108 -6.555 8.136 -0.663 1.00 0.00 C ATOM 1787 O VAL A 108 -7.712 8.550 -0.654 1.00 0.00 O ATOM 1788 CB VAL A 108 -5.512 6.924 -2.551 1.00 0.00 C ATOM 1789 CG1 VAL A 108 -6.741 6.554 -3.356 1.00 0.00 C ATOM 1790 CG2 VAL A 108 -4.275 6.891 -3.426 1.00 0.00 C ATOM 0 H VAL A 108 -3.600 8.320 -1.754 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.167 8.975 -2.605 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.384 6.188 -1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -6.596 5.575 -3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.610 6.522 -2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.903 7.298 -4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.175 5.904 -3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.364 7.642 -4.211 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.394 7.103 -2.819 1.00 0.00 H new ATOM 1800 N TRP A 109 -5.995 7.533 0.381 1.00 0.00 N ATOM 1801 CA TRP A 109 -6.757 7.337 1.609 1.00 0.00 C ATOM 1802 C TRP A 109 -7.159 8.685 2.189 1.00 0.00 C ATOM 1803 O TRP A 109 -8.238 8.830 2.759 1.00 0.00 O ATOM 1804 CB TRP A 109 -5.986 6.530 2.659 1.00 0.00 C ATOM 1805 CG TRP A 109 -6.780 6.353 3.922 1.00 0.00 C ATOM 1806 CD1 TRP A 109 -6.376 6.619 5.198 1.00 0.00 C ATOM 1807 CD2 TRP A 109 -8.132 5.892 4.019 1.00 0.00 C ATOM 1808 NE1 TRP A 109 -7.398 6.356 6.082 1.00 0.00 N ATOM 1809 CE2 TRP A 109 -8.488 5.907 5.380 1.00 0.00 C ATOM 1810 CE3 TRP A 109 -9.076 5.469 3.082 1.00 0.00 C ATOM 1811 CZ2 TRP A 109 -9.755 5.517 5.823 1.00 0.00 C ATOM 1812 CZ3 TRP A 109 -10.327 5.083 3.520 1.00 0.00 C ATOM 1813 CH2 TRP A 109 -10.657 5.111 4.878 1.00 0.00 C ATOM 0 H TRP A 109 -5.039 7.179 0.403 1.00 0.00 H new ATOM 0 HA TRP A 109 -7.645 6.761 1.347 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -5.731 5.552 2.250 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -5.047 7.035 2.888 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -5.397 6.983 5.474 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.352 6.475 7.094 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -8.832 5.444 2.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -10.012 5.535 6.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -11.063 4.754 2.801 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -11.645 4.806 5.188 1.00 0.00 H new ATOM 1824 N LYS A 110 -6.291 9.675 2.024 1.00 0.00 N ATOM 1825 CA LYS A 110 -6.570 11.014 2.516 1.00 0.00 C ATOM 1826 C LYS A 110 -7.817 11.562 1.835 1.00 0.00 C ATOM 1827 O LYS A 110 -8.605 12.282 2.441 1.00 0.00 O ATOM 1828 CB LYS A 110 -5.378 11.938 2.256 1.00 0.00 C ATOM 1829 CG LYS A 110 -4.083 11.450 2.886 1.00 0.00 C ATOM 1830 CD LYS A 110 -3.009 12.526 2.855 1.00 0.00 C ATOM 1831 CE LYS A 110 -1.712 12.036 3.479 1.00 0.00 C ATOM 1832 NZ LYS A 110 -1.790 11.996 4.965 1.00 0.00 N ATOM 0 H LYS A 110 -5.391 9.575 1.554 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.741 10.966 3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.234 12.038 1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.608 12.932 2.641 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -4.269 11.150 3.917 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.729 10.566 2.355 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.826 12.830 1.824 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.361 13.408 3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.481 11.040 3.101 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.894 12.690 3.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.161 11.251 5.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.496 12.915 5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.768 11.794 5.256 1.00 0.00 H new ATOM 1846 N GLU A 111 -7.986 11.203 0.567 1.00 0.00 N ATOM 1847 CA GLU A 111 -9.132 11.642 -0.216 1.00 0.00 C ATOM 1848 C GLU A 111 -10.282 10.643 -0.118 1.00 0.00 C ATOM 1849 O GLU A 111 -11.448 10.999 -0.288 1.00 0.00 O ATOM 1850 CB GLU A 111 -8.721 11.814 -1.676 1.00 0.00 C ATOM 1851 CG GLU A 111 -8.883 13.238 -2.175 1.00 0.00 C ATOM 1852 CD GLU A 111 -8.704 13.357 -3.676 1.00 0.00 C ATOM 1853 OE1 GLU A 111 -8.930 12.353 -4.383 1.00 0.00 O ATOM 1854 OE2 GLU A 111 -8.337 14.456 -4.144 1.00 0.00 O ATOM 0 H GLU A 111 -7.337 10.604 0.057 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.475 12.596 0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.681 11.510 -1.793 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.319 11.147 -2.297 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.873 13.604 -1.901 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.157 13.879 -1.675 1.00 0.00 H new ATOM 1861 N LEU A 112 -9.943 9.393 0.154 1.00 0.00 N ATOM 1862 CA LEU A 112 -10.939 8.336 0.271 1.00 0.00 C ATOM 1863 C LEU A 112 -11.601 8.380 1.643 1.00 0.00 C ATOM 1864 O LEU A 112 -12.820 8.252 1.762 1.00 0.00 O ATOM 1865 CB LEU A 112 -10.285 6.971 0.031 1.00 0.00 C ATOM 1866 CG LEU A 112 -11.240 5.773 0.015 1.00 0.00 C ATOM 1867 CD1 LEU A 112 -12.434 6.037 -0.880 1.00 0.00 C ATOM 1868 CD2 LEU A 112 -10.519 4.528 -0.457 1.00 0.00 C ATOM 0 H LEU A 112 -8.982 9.083 0.299 1.00 0.00 H new ATOM 0 HA LEU A 112 -11.709 8.491 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.756 7.004 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.536 6.806 0.806 1.00 0.00 H new ATOM 0 HG LEU A 112 -11.596 5.620 1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -13.094 5.170 -0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.976 6.909 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.092 6.222 -1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.212 3.686 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.136 4.689 -1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.689 4.311 0.216 1.00 0.00 H new ATOM 1880 N SER A 113 -10.788 8.573 2.675 1.00 0.00 N ATOM 1881 CA SER A 113 -11.286 8.649 4.040 1.00 0.00 C ATOM 1882 C SER A 113 -12.038 9.956 4.268 1.00 0.00 C ATOM 1883 O SER A 113 -13.131 9.961 4.835 1.00 0.00 O ATOM 1884 CB SER A 113 -10.127 8.526 5.034 1.00 0.00 C ATOM 1885 OG SER A 113 -9.716 9.797 5.512 1.00 0.00 O ATOM 0 H SER A 113 -9.777 8.680 2.590 1.00 0.00 H new ATOM 0 HA SER A 113 -11.978 7.822 4.200 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.431 7.901 5.874 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.285 8.027 4.554 1.00 0.00 H new ATOM 0 HG SER A 113 -8.976 9.685 6.145 1.00 0.00 H new ATOM 1891 N LEU A 114 -11.449 11.066 3.825 1.00 0.00 N ATOM 1892 CA LEU A 114 -12.076 12.371 3.991 1.00 0.00 C ATOM 1893 C LEU A 114 -13.415 12.416 3.255 1.00 0.00 C ATOM 1894 O LEU A 114 -14.344 13.098 3.688 1.00 0.00 O ATOM 1895 CB LEU A 114 -11.110 13.489 3.544 1.00 0.00 C ATOM 1896 CG LEU A 114 -11.474 14.290 2.286 1.00 0.00 C ATOM 1897 CD1 LEU A 114 -11.637 13.375 1.088 1.00 0.00 C ATOM 1898 CD2 LEU A 114 -12.732 15.116 2.507 1.00 0.00 C ATOM 0 H LEU A 114 -10.545 11.086 3.352 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.291 12.540 5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -11.007 14.192 4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.130 13.040 3.383 1.00 0.00 H new ATOM 0 HG LEU A 114 -10.652 14.976 2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -11.895 13.967 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -10.703 12.844 0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.431 12.655 1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -12.966 15.673 1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -13.563 14.455 2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.570 15.813 3.329 1.00 0.00 H new ATOM 1910 N LEU A 115 -13.520 11.667 2.158 1.00 0.00 N ATOM 1911 CA LEU A 115 -14.760 11.609 1.395 1.00 0.00 C ATOM 1912 C LEU A 115 -15.794 10.786 2.148 1.00 0.00 C ATOM 1913 O LEU A 115 -16.953 11.184 2.272 1.00 0.00 O ATOM 1914 CB LEU A 115 -14.514 10.998 0.014 1.00 0.00 C ATOM 1915 CG LEU A 115 -13.976 11.970 -1.034 1.00 0.00 C ATOM 1916 CD1 LEU A 115 -13.629 11.238 -2.321 1.00 0.00 C ATOM 1917 CD2 LEU A 115 -14.988 13.076 -1.299 1.00 0.00 C ATOM 0 H LEU A 115 -12.764 11.096 1.781 1.00 0.00 H new ATOM 0 HA LEU A 115 -15.134 12.624 1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.809 10.173 0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -15.449 10.574 -0.351 1.00 0.00 H new ATOM 0 HG LEU A 115 -13.063 12.423 -0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -13.248 11.950 -3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.868 10.485 -2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -14.522 10.754 -2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -14.591 13.761 -2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -15.917 12.639 -1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -15.182 13.621 -0.375 1.00 0.00 H new ATOM 1929 N LEU A 116 -15.362 9.637 2.658 1.00 0.00 N ATOM 1930 CA LEU A 116 -16.241 8.756 3.411 1.00 0.00 C ATOM 1931 C LEU A 116 -16.833 9.488 4.607 1.00 0.00 C ATOM 1932 O LEU A 116 -18.011 9.326 4.926 1.00 0.00 O ATOM 1933 CB LEU A 116 -15.475 7.517 3.872 1.00 0.00 C ATOM 1934 CG LEU A 116 -15.481 6.364 2.873 1.00 0.00 C ATOM 1935 CD1 LEU A 116 -14.463 5.305 3.266 1.00 0.00 C ATOM 1936 CD2 LEU A 116 -16.873 5.763 2.778 1.00 0.00 C ATOM 0 H LEU A 116 -14.406 9.296 2.562 1.00 0.00 H new ATOM 0 HA LEU A 116 -17.058 8.442 2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -14.442 7.799 4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -15.903 7.169 4.812 1.00 0.00 H new ATOM 0 HG LEU A 116 -15.201 6.751 1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -14.485 4.492 2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -13.467 5.747 3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -14.707 4.915 4.254 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -16.866 4.941 2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -17.176 5.390 3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -17.577 6.526 2.447 1.00 0.00 H new ATOM 1948 N GLN A 117 -16.013 10.310 5.254 1.00 0.00 N ATOM 1949 CA GLN A 117 -16.464 11.085 6.402 1.00 0.00 C ATOM 1950 C GLN A 117 -17.677 11.930 6.022 1.00 0.00 C ATOM 1951 O GLN A 117 -18.484 12.297 6.873 1.00 0.00 O ATOM 1952 CB GLN A 117 -15.339 11.989 6.910 1.00 0.00 C ATOM 1953 CG GLN A 117 -14.465 11.338 7.969 1.00 0.00 C ATOM 1954 CD GLN A 117 -13.031 11.827 7.919 1.00 0.00 C ATOM 1955 OE1 GLN A 117 -12.675 12.811 8.567 1.00 0.00 O ATOM 1956 NE2 GLN A 117 -12.199 11.140 7.145 1.00 0.00 N ATOM 0 H GLN A 117 -15.035 10.456 5.003 1.00 0.00 H new ATOM 0 HA GLN A 117 -16.746 10.395 7.197 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -14.714 12.285 6.067 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -15.774 12.900 7.320 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -14.881 11.543 8.955 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -14.482 10.256 7.835 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -12.537 10.330 6.625 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -11.222 11.422 7.070 1.00 0.00 H new ATOM 1965 N VAL A 118 -17.791 12.240 4.733 1.00 0.00 N ATOM 1966 CA VAL A 118 -18.899 13.042 4.229 1.00 0.00 C ATOM 1967 C VAL A 118 -20.069 12.171 3.785 1.00 0.00 C ATOM 1968 O VAL A 118 -21.193 12.320 4.266 1.00 0.00 O ATOM 1969 CB VAL A 118 -18.464 13.901 3.030 1.00 0.00 C ATOM 1970 CG1 VAL A 118 -19.493 14.981 2.746 1.00 0.00 C ATOM 1971 CG2 VAL A 118 -17.090 14.504 3.269 1.00 0.00 C ATOM 0 H VAL A 118 -17.126 11.946 4.017 1.00 0.00 H new ATOM 0 HA VAL A 118 -19.212 13.682 5.054 1.00 0.00 H new ATOM 0 HB VAL A 118 -18.398 13.258 2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -19.168 15.579 1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -20.453 14.518 2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -19.598 15.623 3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -16.803 15.108 2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -17.118 15.132 4.159 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -16.362 13.705 3.411 1.00 0.00 H new ATOM 1981 N GLU A 119 -19.794 11.286 2.835 1.00 0.00 N ATOM 1982 CA GLU A 119 -20.813 10.403 2.272 1.00 0.00 C ATOM 1983 C GLU A 119 -21.424 9.463 3.311 1.00 0.00 C ATOM 1984 O GLU A 119 -22.645 9.317 3.377 1.00 0.00 O ATOM 1985 CB GLU A 119 -20.218 9.583 1.126 1.00 0.00 C ATOM 1986 CG GLU A 119 -19.577 10.431 0.039 1.00 0.00 C ATOM 1987 CD GLU A 119 -20.591 11.257 -0.729 1.00 0.00 C ATOM 1988 OE1 GLU A 119 -21.763 10.832 -0.811 1.00 0.00 O ATOM 1989 OE2 GLU A 119 -20.213 12.328 -1.249 1.00 0.00 O ATOM 0 H GLU A 119 -18.865 11.159 2.434 1.00 0.00 H new ATOM 0 HA GLU A 119 -21.615 11.042 1.903 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -19.471 8.899 1.529 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -21.003 8.971 0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -18.839 11.095 0.489 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -19.042 9.783 -0.655 1.00 0.00 H new ATOM 1996 N GLN A 120 -20.583 8.807 4.104 1.00 0.00 N ATOM 1997 CA GLN A 120 -21.074 7.866 5.108 1.00 0.00 C ATOM 1998 C GLN A 120 -21.082 8.466 6.512 1.00 0.00 C ATOM 1999 O GLN A 120 -21.664 7.891 7.432 1.00 0.00 O ATOM 2000 CB GLN A 120 -20.233 6.589 5.091 1.00 0.00 C ATOM 2001 CG GLN A 120 -20.841 5.480 4.249 1.00 0.00 C ATOM 2002 CD GLN A 120 -20.400 4.101 4.695 1.00 0.00 C ATOM 2003 OE1 GLN A 120 -20.839 3.599 5.730 1.00 0.00 O ATOM 2004 NE2 GLN A 120 -19.526 3.480 3.913 1.00 0.00 N ATOM 0 H GLN A 120 -19.568 8.907 4.073 1.00 0.00 H new ATOM 0 HA GLN A 120 -22.106 7.629 4.849 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -19.239 6.822 4.709 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -20.106 6.232 6.113 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -21.928 5.544 4.301 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -20.562 5.627 3.206 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -19.189 3.934 3.064 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -19.192 2.549 4.161 1.00 0.00 H new ATOM 2013 N ARG A 121 -20.441 9.616 6.680 1.00 0.00 N ATOM 2014 CA ARG A 121 -20.391 10.269 7.984 1.00 0.00 C ATOM 2015 C ARG A 121 -19.629 9.418 8.996 1.00 0.00 C ATOM 2016 O ARG A 121 -19.803 9.574 10.205 1.00 0.00 O ATOM 2017 CB ARG A 121 -21.807 10.541 8.497 1.00 0.00 C ATOM 2018 CG ARG A 121 -22.725 11.156 7.452 1.00 0.00 C ATOM 2019 CD ARG A 121 -23.928 10.269 7.171 1.00 0.00 C ATOM 2020 NE ARG A 121 -25.098 11.045 6.767 1.00 0.00 N ATOM 2021 CZ ARG A 121 -26.345 10.579 6.803 1.00 0.00 C ATOM 2022 NH1 ARG A 121 -26.588 9.344 7.224 1.00 0.00 N ATOM 2023 NH2 ARG A 121 -27.352 11.351 6.417 1.00 0.00 N ATOM 0 H ARG A 121 -19.952 10.114 5.936 1.00 0.00 H new ATOM 0 HA ARG A 121 -19.864 11.216 7.864 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -22.244 9.606 8.847 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -21.751 11.208 9.357 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -23.065 12.133 7.796 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -22.169 11.319 6.529 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -23.677 9.556 6.386 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -24.167 9.690 8.063 1.00 0.00 H new ATOM 0 HE ARG A 121 -24.951 11.999 6.438 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -25.817 8.746 7.522 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -27.545 8.993 7.249 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -27.171 12.301 6.093 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -28.307 10.995 6.444 1.00 0.00 H new ATOM 2037 N MET A 122 -18.784 8.516 8.501 1.00 0.00 N ATOM 2038 CA MET A 122 -18.005 7.648 9.375 1.00 0.00 C ATOM 2039 C MET A 122 -16.795 8.392 9.947 1.00 0.00 C ATOM 2040 O MET A 122 -16.013 8.981 9.202 1.00 0.00 O ATOM 2041 CB MET A 122 -17.551 6.392 8.617 1.00 0.00 C ATOM 2042 CG MET A 122 -16.422 6.631 7.619 1.00 0.00 C ATOM 2043 SD MET A 122 -14.956 5.639 7.977 1.00 0.00 S ATOM 2044 CE MET A 122 -13.917 6.029 6.568 1.00 0.00 C ATOM 0 H MET A 122 -18.623 8.369 7.505 1.00 0.00 H new ATOM 0 HA MET A 122 -18.641 7.344 10.206 1.00 0.00 H new ATOM 0 HB2 MET A 122 -17.228 5.643 9.340 1.00 0.00 H new ATOM 0 HB3 MET A 122 -18.406 5.974 8.086 1.00 0.00 H new ATOM 0 HG2 MET A 122 -16.776 6.400 6.614 1.00 0.00 H new ATOM 0 HG3 MET A 122 -16.152 7.687 7.627 1.00 0.00 H new ATOM 0 HE1 MET A 122 -12.875 6.070 6.885 1.00 0.00 H new ATOM 0 HE2 MET A 122 -14.034 5.259 5.805 1.00 0.00 H new ATOM 0 HE3 MET A 122 -14.209 6.995 6.157 1.00 0.00 H new ATOM 2054 N PRO A 123 -16.621 8.384 11.281 1.00 0.00 N ATOM 2055 CA PRO A 123 -15.496 9.066 11.923 1.00 0.00 C ATOM 2056 C PRO A 123 -14.167 8.405 11.583 1.00 0.00 C ATOM 2057 O PRO A 123 -13.999 7.199 11.763 1.00 0.00 O ATOM 2058 CB PRO A 123 -15.787 8.941 13.426 1.00 0.00 C ATOM 2059 CG PRO A 123 -17.208 8.494 13.524 1.00 0.00 C ATOM 2060 CD PRO A 123 -17.492 7.725 12.266 1.00 0.00 C ATOM 0 HA PRO A 123 -15.406 10.100 11.589 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -15.117 8.222 13.897 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -15.640 9.894 13.934 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -17.360 7.870 14.405 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -17.879 9.348 13.619 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -17.252 6.667 12.375 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -18.543 7.786 11.982 1.00 0.00 H new ATOM 2068 N VAL A 124 -13.230 9.199 11.082 1.00 0.00 N ATOM 2069 CA VAL A 124 -11.920 8.685 10.707 1.00 0.00 C ATOM 2070 C VAL A 124 -10.800 9.454 11.389 1.00 0.00 C ATOM 2071 O VAL A 124 -10.980 10.598 11.808 1.00 0.00 O ATOM 2072 CB VAL A 124 -11.708 8.756 9.186 1.00 0.00 C ATOM 2073 CG1 VAL A 124 -10.494 7.937 8.776 1.00 0.00 C ATOM 2074 CG2 VAL A 124 -12.951 8.282 8.455 1.00 0.00 C ATOM 0 H VAL A 124 -13.352 10.200 10.926 1.00 0.00 H new ATOM 0 HA VAL A 124 -11.891 7.645 11.032 1.00 0.00 H new ATOM 0 HB VAL A 124 -11.525 9.794 8.910 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -10.361 8.000 7.696 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -9.607 8.327 9.275 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -10.643 6.896 9.063 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -12.784 8.339 7.379 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -13.167 7.251 8.735 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -13.796 8.916 8.725 1.00 0.00 H new ATOM 2084 N SER A 125 -9.639 8.820 11.485 1.00 0.00 N ATOM 2085 CA SER A 125 -8.477 9.446 12.104 1.00 0.00 C ATOM 2086 C SER A 125 -7.386 9.681 11.064 1.00 0.00 C ATOM 2087 O SER A 125 -7.447 9.132 9.965 1.00 0.00 O ATOM 2088 CB SER A 125 -7.941 8.569 13.238 1.00 0.00 C ATOM 2089 OG SER A 125 -8.983 8.172 14.112 1.00 0.00 O ATOM 0 H SER A 125 -9.476 7.873 11.143 1.00 0.00 H new ATOM 0 HA SER A 125 -8.781 10.407 12.518 1.00 0.00 H new ATOM 0 HB2 SER A 125 -7.456 7.686 12.821 1.00 0.00 H new ATOM 0 HB3 SER A 125 -7.182 9.116 13.797 1.00 0.00 H new ATOM 0 HG SER A 125 -8.615 7.611 14.827 1.00 0.00 H new ATOM 2095 N PRO A 126 -6.371 10.501 11.394 1.00 0.00 N ATOM 2096 CA PRO A 126 -5.265 10.797 10.475 1.00 0.00 C ATOM 2097 C PRO A 126 -4.529 9.528 10.059 1.00 0.00 C ATOM 2098 O PRO A 126 -3.428 9.248 10.535 1.00 0.00 O ATOM 2099 CB PRO A 126 -4.344 11.711 11.292 1.00 0.00 C ATOM 2100 CG PRO A 126 -5.210 12.268 12.371 1.00 0.00 C ATOM 2101 CD PRO A 126 -6.219 11.199 12.681 1.00 0.00 C ATOM 0 HA PRO A 126 -5.610 11.255 9.548 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -3.504 11.155 11.708 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -3.925 12.505 10.673 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -4.622 12.518 13.254 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -5.700 13.185 12.044 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -5.868 10.528 13.465 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -7.163 11.623 13.024 1.00 0.00 H new ATOM 2109 N ILE A 127 -5.159 8.750 9.183 1.00 0.00 N ATOM 2110 CA ILE A 127 -4.587 7.494 8.715 1.00 0.00 C ATOM 2111 C ILE A 127 -4.094 6.651 9.887 1.00 0.00 C ATOM 2112 O ILE A 127 -2.901 6.371 10.005 1.00 0.00 O ATOM 2113 CB ILE A 127 -3.420 7.711 7.728 1.00 0.00 C ATOM 2114 CG1 ILE A 127 -3.745 8.834 6.739 1.00 0.00 C ATOM 2115 CG2 ILE A 127 -3.116 6.415 6.987 1.00 0.00 C ATOM 2116 CD1 ILE A 127 -2.647 9.080 5.725 1.00 0.00 C ATOM 0 H ILE A 127 -6.071 8.970 8.782 1.00 0.00 H new ATOM 0 HA ILE A 127 -5.386 6.970 8.191 1.00 0.00 H new ATOM 0 HB ILE A 127 -2.537 8.007 8.294 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -4.667 8.588 6.212 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -3.930 9.754 7.294 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -2.291 6.578 6.293 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -2.840 5.642 7.704 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -3.999 6.097 6.433 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -2.944 9.888 5.056 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -1.729 9.356 6.243 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.477 8.173 5.145 1.00 0.00 H new ATOM 2128 N SER A 128 -5.024 6.243 10.751 1.00 0.00 N ATOM 2129 CA SER A 128 -4.684 5.423 11.913 1.00 0.00 C ATOM 2130 C SER A 128 -3.759 4.280 11.506 1.00 0.00 C ATOM 2131 O SER A 128 -2.943 3.808 12.298 1.00 0.00 O ATOM 2132 CB SER A 128 -5.955 4.866 12.558 1.00 0.00 C ATOM 2133 OG SER A 128 -6.252 5.544 13.767 1.00 0.00 O ATOM 0 H SER A 128 -6.016 6.466 10.668 1.00 0.00 H new ATOM 0 HA SER A 128 -4.166 6.050 12.639 1.00 0.00 H new ATOM 0 HB2 SER A 128 -6.791 4.966 11.866 1.00 0.00 H new ATOM 0 HB3 SER A 128 -5.830 3.801 12.756 1.00 0.00 H new ATOM 0 HG SER A 128 -7.069 5.171 14.159 1.00 0.00 H new ATOM 2139 N GLN A 129 -3.891 3.854 10.254 1.00 0.00 N ATOM 2140 CA GLN A 129 -3.071 2.782 9.708 1.00 0.00 C ATOM 2141 C GLN A 129 -1.585 3.080 9.899 1.00 0.00 C ATOM 2142 O GLN A 129 -0.757 2.170 9.931 1.00 0.00 O ATOM 2143 CB GLN A 129 -3.367 2.608 8.215 1.00 0.00 C ATOM 2144 CG GLN A 129 -4.836 2.369 7.895 1.00 0.00 C ATOM 2145 CD GLN A 129 -5.608 3.652 7.644 1.00 0.00 C ATOM 2146 OE1 GLN A 129 -5.103 4.749 7.879 1.00 0.00 O ATOM 2147 NE2 GLN A 129 -6.843 3.517 7.170 1.00 0.00 N ATOM 0 H GLN A 129 -4.566 4.240 9.594 1.00 0.00 H new ATOM 0 HA GLN A 129 -3.314 1.863 10.241 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -3.031 3.498 7.683 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -2.783 1.770 7.835 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -4.911 1.729 7.016 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -5.299 1.830 8.722 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -7.221 2.587 6.990 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -7.412 4.343 6.987 1.00 0.00 H new ATOM 2156 N GLY A 130 -1.256 4.364 10.010 1.00 0.00 N ATOM 2157 CA GLY A 130 0.127 4.768 10.177 1.00 0.00 C ATOM 2158 C GLY A 130 0.748 5.183 8.861 1.00 0.00 C ATOM 2159 O GLY A 130 1.415 4.387 8.207 1.00 0.00 O ATOM 0 H GLY A 130 -1.926 5.133 9.987 1.00 0.00 H new ATOM 0 HA2 GLY A 130 0.182 5.596 10.883 1.00 0.00 H new ATOM 0 HA3 GLY A 130 0.698 3.945 10.606 1.00 0.00 H new ATOM 2163 N ALA A 131 0.512 6.431 8.464 1.00 0.00 N ATOM 2164 CA ALA A 131 1.028 6.956 7.201 1.00 0.00 C ATOM 2165 C ALA A 131 2.542 7.181 7.218 1.00 0.00 C ATOM 2166 O ALA A 131 3.065 7.944 6.406 1.00 0.00 O ATOM 2167 CB ALA A 131 0.312 8.248 6.847 1.00 0.00 C ATOM 0 H ALA A 131 -0.037 7.102 9.002 1.00 0.00 H new ATOM 0 HA ALA A 131 0.833 6.200 6.441 1.00 0.00 H new ATOM 0 HB1 ALA A 131 0.702 8.634 5.905 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -0.756 8.056 6.747 1.00 0.00 H new ATOM 0 HB3 ALA A 131 0.476 8.983 7.635 1.00 0.00 H new ATOM 2173 N SER A 132 3.248 6.517 8.127 1.00 0.00 N ATOM 2174 CA SER A 132 4.696 6.657 8.213 1.00 0.00 C ATOM 2175 C SER A 132 5.403 5.676 7.277 1.00 0.00 C ATOM 2176 O SER A 132 6.615 5.490 7.365 1.00 0.00 O ATOM 2177 CB SER A 132 5.165 6.428 9.648 1.00 0.00 C ATOM 2178 OG SER A 132 5.106 7.625 10.404 1.00 0.00 O ATOM 0 H SER A 132 2.843 5.879 8.812 1.00 0.00 H new ATOM 0 HA SER A 132 4.952 7.671 7.906 1.00 0.00 H new ATOM 0 HB2 SER A 132 4.544 5.666 10.119 1.00 0.00 H new ATOM 0 HB3 SER A 132 6.187 6.048 9.643 1.00 0.00 H new ATOM 0 HG SER A 132 5.410 7.449 11.319 1.00 0.00 H new ATOM 2184 N TRP A 133 4.642 5.045 6.382 1.00 0.00 N ATOM 2185 CA TRP A 133 5.208 4.080 5.437 1.00 0.00 C ATOM 2186 C TRP A 133 6.467 4.631 4.775 1.00 0.00 C ATOM 2187 O TRP A 133 7.482 3.943 4.679 1.00 0.00 O ATOM 2188 CB TRP A 133 4.198 3.712 4.342 1.00 0.00 C ATOM 2189 CG TRP A 133 2.770 3.668 4.795 1.00 0.00 C ATOM 2190 CD1 TRP A 133 2.295 3.193 5.981 1.00 0.00 C ATOM 2191 CD2 TRP A 133 1.628 4.112 4.054 1.00 0.00 C ATOM 2192 NE1 TRP A 133 0.925 3.318 6.023 1.00 0.00 N ATOM 2193 CE2 TRP A 133 0.494 3.878 4.852 1.00 0.00 C ATOM 2194 CE3 TRP A 133 1.455 4.687 2.793 1.00 0.00 C ATOM 2195 CZ2 TRP A 133 -0.794 4.197 4.429 1.00 0.00 C ATOM 2196 CZ3 TRP A 133 0.178 5.003 2.374 1.00 0.00 C ATOM 2197 CH2 TRP A 133 -0.933 4.758 3.190 1.00 0.00 C ATOM 0 H TRP A 133 3.636 5.184 6.291 1.00 0.00 H new ATOM 0 HA TRP A 133 5.459 3.188 6.011 1.00 0.00 H new ATOM 0 HB2 TRP A 133 4.285 4.433 3.530 1.00 0.00 H new ATOM 0 HB3 TRP A 133 4.465 2.738 3.933 1.00 0.00 H new ATOM 0 HD1 TRP A 133 2.904 2.779 6.771 1.00 0.00 H new ATOM 0 HE1 TRP A 133 0.328 3.038 6.801 1.00 0.00 H new ATOM 0 HE3 TRP A 133 2.306 4.881 2.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -1.652 4.008 5.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 0.034 5.447 1.400 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -1.919 5.017 2.834 1.00 0.00 H new ATOM 2208 N ALA A 134 6.384 5.870 4.306 1.00 0.00 N ATOM 2209 CA ALA A 134 7.504 6.516 3.633 1.00 0.00 C ATOM 2210 C ALA A 134 8.735 6.603 4.532 1.00 0.00 C ATOM 2211 O ALA A 134 9.852 6.334 4.091 1.00 0.00 O ATOM 2212 CB ALA A 134 7.094 7.900 3.156 1.00 0.00 C ATOM 0 H ALA A 134 5.548 6.450 4.380 1.00 0.00 H new ATOM 0 HA ALA A 134 7.775 5.904 2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 134 7.936 8.376 2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 134 6.259 7.813 2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 134 6.792 8.505 4.011 1.00 0.00 H new ATOM 2218 N GLN A 135 8.530 6.987 5.788 1.00 0.00 N ATOM 2219 CA GLN A 135 9.635 7.114 6.733 1.00 0.00 C ATOM 2220 C GLN A 135 10.334 5.770 6.944 1.00 0.00 C ATOM 2221 O GLN A 135 11.559 5.707 7.063 1.00 0.00 O ATOM 2222 CB GLN A 135 9.133 7.690 8.067 1.00 0.00 C ATOM 2223 CG GLN A 135 8.740 6.647 9.107 1.00 0.00 C ATOM 2224 CD GLN A 135 9.897 6.251 10.002 1.00 0.00 C ATOM 2225 OE1 GLN A 135 11.040 6.160 9.556 1.00 0.00 O ATOM 2226 NE2 GLN A 135 9.604 6.012 11.275 1.00 0.00 N ATOM 0 H GLN A 135 7.614 7.215 6.174 1.00 0.00 H new ATOM 0 HA GLN A 135 10.367 7.805 6.314 1.00 0.00 H new ATOM 0 HB2 GLN A 135 9.912 8.326 8.488 1.00 0.00 H new ATOM 0 HB3 GLN A 135 8.272 8.328 7.870 1.00 0.00 H new ATOM 0 HG2 GLN A 135 7.929 7.039 9.720 1.00 0.00 H new ATOM 0 HG3 GLN A 135 8.357 5.761 8.601 1.00 0.00 H new ATOM 0 HE21 GLN A 135 8.642 6.100 11.602 1.00 0.00 H new ATOM 0 HE22 GLN A 135 10.341 5.741 11.926 1.00 0.00 H new ATOM 2235 N GLU A 136 9.549 4.700 6.989 1.00 0.00 N ATOM 2236 CA GLU A 136 10.091 3.362 7.188 1.00 0.00 C ATOM 2237 C GLU A 136 10.556 2.758 5.868 1.00 0.00 C ATOM 2238 O GLU A 136 11.493 1.960 5.836 1.00 0.00 O ATOM 2239 CB GLU A 136 9.039 2.457 7.832 1.00 0.00 C ATOM 2240 CG GLU A 136 9.221 2.281 9.330 1.00 0.00 C ATOM 2241 CD GLU A 136 9.747 0.907 9.697 1.00 0.00 C ATOM 2242 OE1 GLU A 136 9.056 -0.091 9.401 1.00 0.00 O ATOM 2243 OE2 GLU A 136 10.849 0.828 10.280 1.00 0.00 O ATOM 0 H GLU A 136 8.534 4.733 6.890 1.00 0.00 H new ATOM 0 HA GLU A 136 10.952 3.441 7.852 1.00 0.00 H new ATOM 0 HB2 GLU A 136 8.049 2.872 7.641 1.00 0.00 H new ATOM 0 HB3 GLU A 136 9.072 1.478 7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 136 9.910 3.040 9.700 1.00 0.00 H new ATOM 0 HG3 GLU A 136 8.267 2.446 9.830 1.00 0.00 H new ATOM 2250 N ASP A 137 9.895 3.141 4.783 1.00 0.00 N ATOM 2251 CA ASP A 137 10.239 2.635 3.464 1.00 0.00 C ATOM 2252 C ASP A 137 11.655 3.035 3.084 1.00 0.00 C ATOM 2253 O ASP A 137 12.433 2.210 2.605 1.00 0.00 O ATOM 2254 CB ASP A 137 9.252 3.159 2.421 1.00 0.00 C ATOM 2255 CG ASP A 137 8.255 2.103 1.994 1.00 0.00 C ATOM 2256 OD1 ASP A 137 7.283 1.869 2.742 1.00 0.00 O ATOM 2257 OD2 ASP A 137 8.447 1.509 0.912 1.00 0.00 O ATOM 0 H ASP A 137 9.117 3.801 4.792 1.00 0.00 H new ATOM 0 HA ASP A 137 10.183 1.547 3.493 1.00 0.00 H new ATOM 0 HB2 ASP A 137 8.717 4.017 2.828 1.00 0.00 H new ATOM 0 HB3 ASP A 137 9.802 3.511 1.548 1.00 0.00 H new ATOM 2262 N GLN A 138 11.987 4.304 3.297 1.00 0.00 N ATOM 2263 CA GLN A 138 13.314 4.799 2.966 1.00 0.00 C ATOM 2264 C GLN A 138 14.350 4.277 3.953 1.00 0.00 C ATOM 2265 O GLN A 138 15.473 3.951 3.571 1.00 0.00 O ATOM 2266 CB GLN A 138 13.327 6.331 2.902 1.00 0.00 C ATOM 2267 CG GLN A 138 13.388 7.032 4.250 1.00 0.00 C ATOM 2268 CD GLN A 138 14.477 8.088 4.308 1.00 0.00 C ATOM 2269 OE1 GLN A 138 15.094 8.301 5.352 1.00 0.00 O ATOM 2270 NE2 GLN A 138 14.719 8.759 3.185 1.00 0.00 N ATOM 0 H GLN A 138 11.359 5.002 3.695 1.00 0.00 H new ATOM 0 HA GLN A 138 13.579 4.424 1.977 1.00 0.00 H new ATOM 0 HB2 GLN A 138 14.183 6.647 2.306 1.00 0.00 H new ATOM 0 HB3 GLN A 138 12.432 6.665 2.376 1.00 0.00 H new ATOM 0 HG2 GLN A 138 12.424 7.497 4.458 1.00 0.00 H new ATOM 0 HG3 GLN A 138 13.561 6.293 5.033 1.00 0.00 H new ATOM 0 HE21 GLN A 138 14.185 8.551 2.341 1.00 0.00 H new ATOM 0 HE22 GLN A 138 15.439 9.481 3.168 1.00 0.00 H new ATOM 2279 N GLN A 139 13.962 4.174 5.222 1.00 0.00 N ATOM 2280 CA GLN A 139 14.864 3.661 6.242 1.00 0.00 C ATOM 2281 C GLN A 139 15.257 2.234 5.889 1.00 0.00 C ATOM 2282 O GLN A 139 16.401 1.820 6.079 1.00 0.00 O ATOM 2283 CB GLN A 139 14.198 3.701 7.619 1.00 0.00 C ATOM 2284 CG GLN A 139 14.269 5.063 8.289 1.00 0.00 C ATOM 2285 CD GLN A 139 15.677 5.431 8.715 1.00 0.00 C ATOM 2286 OE1 GLN A 139 16.560 5.623 7.880 1.00 0.00 O ATOM 2287 NE2 GLN A 139 15.892 5.532 10.022 1.00 0.00 N ATOM 0 H GLN A 139 13.037 4.437 5.563 1.00 0.00 H new ATOM 0 HA GLN A 139 15.756 4.287 6.279 1.00 0.00 H new ATOM 0 HB2 GLN A 139 13.153 3.410 7.516 1.00 0.00 H new ATOM 0 HB3 GLN A 139 14.673 2.962 8.265 1.00 0.00 H new ATOM 0 HG2 GLN A 139 13.891 5.821 7.603 1.00 0.00 H new ATOM 0 HG3 GLN A 139 13.616 5.069 9.162 1.00 0.00 H new ATOM 0 HE21 GLN A 139 15.130 5.364 10.679 1.00 0.00 H new ATOM 0 HE22 GLN A 139 16.819 5.778 10.369 1.00 0.00 H new ATOM 2296 N ASP A 140 14.292 1.497 5.350 1.00 0.00 N ATOM 2297 CA ASP A 140 14.513 0.120 4.938 1.00 0.00 C ATOM 2298 C ASP A 140 15.113 0.069 3.536 1.00 0.00 C ATOM 2299 O ASP A 140 15.735 -0.917 3.159 1.00 0.00 O ATOM 2300 CB ASP A 140 13.197 -0.658 4.969 1.00 0.00 C ATOM 2301 CG ASP A 140 12.742 -0.970 6.381 1.00 0.00 C ATOM 2302 OD1 ASP A 140 12.301 -0.035 7.083 1.00 0.00 O ATOM 2303 OD2 ASP A 140 12.825 -2.149 6.786 1.00 0.00 O ATOM 0 H ASP A 140 13.343 1.835 5.188 1.00 0.00 H new ATOM 0 HA ASP A 140 15.215 -0.338 5.635 1.00 0.00 H new ATOM 0 HB2 ASP A 140 12.425 -0.080 4.461 1.00 0.00 H new ATOM 0 HB3 ASP A 140 13.315 -1.589 4.415 1.00 0.00 H new ATOM 2308 N ALA A 141 14.929 1.144 2.774 1.00 0.00 N ATOM 2309 CA ALA A 141 15.460 1.225 1.419 1.00 0.00 C ATOM 2310 C ALA A 141 16.970 1.389 1.459 1.00 0.00 C ATOM 2311 O ALA A 141 17.712 0.545 0.957 1.00 0.00 O ATOM 2312 CB ALA A 141 14.819 2.381 0.657 1.00 0.00 C ATOM 0 H ALA A 141 14.415 1.972 3.074 1.00 0.00 H new ATOM 0 HA ALA A 141 15.221 0.299 0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 141 15.229 2.424 -0.352 1.00 0.00 H new ATOM 0 HB2 ALA A 141 13.741 2.229 0.604 1.00 0.00 H new ATOM 0 HB3 ALA A 141 15.028 3.318 1.174 1.00 0.00 H new ATOM 2318 N ASP A 142 17.421 2.474 2.080 1.00 0.00 N ATOM 2319 CA ASP A 142 18.846 2.736 2.208 1.00 0.00 C ATOM 2320 C ASP A 142 19.510 1.605 2.981 1.00 0.00 C ATOM 2321 O ASP A 142 20.665 1.260 2.735 1.00 0.00 O ATOM 2322 CB ASP A 142 19.083 4.071 2.918 1.00 0.00 C ATOM 2323 CG ASP A 142 20.218 4.862 2.297 1.00 0.00 C ATOM 2324 OD1 ASP A 142 21.151 4.235 1.754 1.00 0.00 O ATOM 2325 OD2 ASP A 142 20.173 6.109 2.354 1.00 0.00 O ATOM 0 H ASP A 142 16.820 3.183 2.501 1.00 0.00 H new ATOM 0 HA ASP A 142 19.284 2.793 1.212 1.00 0.00 H new ATOM 0 HB2 ASP A 142 18.169 4.664 2.885 1.00 0.00 H new ATOM 0 HB3 ASP A 142 19.305 3.886 3.969 1.00 0.00 H new ATOM 2330 N GLU A 143 18.758 1.022 3.913 1.00 0.00 N ATOM 2331 CA GLU A 143 19.259 -0.081 4.719 1.00 0.00 C ATOM 2332 C GLU A 143 19.223 -1.383 3.927 1.00 0.00 C ATOM 2333 O GLU A 143 20.128 -2.210 4.039 1.00 0.00 O ATOM 2334 CB GLU A 143 18.435 -0.226 6.000 1.00 0.00 C ATOM 2335 CG GLU A 143 18.769 0.814 7.058 1.00 0.00 C ATOM 2336 CD GLU A 143 17.969 0.625 8.332 1.00 0.00 C ATOM 2337 OE1 GLU A 143 18.397 -0.176 9.189 1.00 0.00 O ATOM 2338 OE2 GLU A 143 16.914 1.280 8.473 1.00 0.00 O ATOM 0 H GLU A 143 17.799 1.298 4.126 1.00 0.00 H new ATOM 0 HA GLU A 143 20.293 0.137 4.988 1.00 0.00 H new ATOM 0 HB2 GLU A 143 17.376 -0.153 5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 143 18.597 -1.220 6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 143 19.833 0.763 7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 143 18.578 1.809 6.657 1.00 0.00 H new ATOM 2345 N ASP A 144 18.175 -1.565 3.123 1.00 0.00 N ATOM 2346 CA ASP A 144 18.045 -2.779 2.319 1.00 0.00 C ATOM 2347 C ASP A 144 19.189 -2.887 1.314 1.00 0.00 C ATOM 2348 O ASP A 144 19.944 -3.859 1.324 1.00 0.00 O ATOM 2349 CB ASP A 144 16.699 -2.808 1.586 1.00 0.00 C ATOM 2350 CG ASP A 144 16.559 -4.007 0.666 1.00 0.00 C ATOM 2351 OD1 ASP A 144 17.348 -4.113 -0.295 1.00 0.00 O ATOM 2352 OD2 ASP A 144 15.660 -4.839 0.909 1.00 0.00 O ATOM 0 H ASP A 144 17.413 -0.896 3.012 1.00 0.00 H new ATOM 0 HA ASP A 144 18.091 -3.633 2.995 1.00 0.00 H new ATOM 0 HB2 ASP A 144 15.891 -2.821 2.318 1.00 0.00 H new ATOM 0 HB3 ASP A 144 16.587 -1.893 1.004 1.00 0.00 H new ATOM 2357 N ARG A 145 19.311 -1.886 0.448 1.00 0.00 N ATOM 2358 CA ARG A 145 20.365 -1.875 -0.563 1.00 0.00 C ATOM 2359 C ARG A 145 21.741 -2.022 0.080 1.00 0.00 C ATOM 2360 O ARG A 145 22.634 -2.661 -0.475 1.00 0.00 O ATOM 2361 CB ARG A 145 20.306 -0.586 -1.386 1.00 0.00 C ATOM 2362 CG ARG A 145 20.326 0.677 -0.542 1.00 0.00 C ATOM 2363 CD ARG A 145 21.439 1.622 -0.971 1.00 0.00 C ATOM 2364 NE ARG A 145 20.937 2.723 -1.790 1.00 0.00 N ATOM 2365 CZ ARG A 145 21.706 3.693 -2.278 1.00 0.00 C ATOM 2366 NH1 ARG A 145 23.011 3.701 -2.034 1.00 0.00 N ATOM 2367 NH2 ARG A 145 21.170 4.657 -3.013 1.00 0.00 N ATOM 0 H ARG A 145 18.695 -1.073 0.425 1.00 0.00 H new ATOM 0 HA ARG A 145 20.202 -2.725 -1.226 1.00 0.00 H new ATOM 0 HB2 ARG A 145 21.151 -0.566 -2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 145 19.400 -0.593 -1.992 1.00 0.00 H new ATOM 0 HG2 ARG A 145 19.365 1.185 -0.624 1.00 0.00 H new ATOM 0 HG3 ARG A 145 20.458 0.412 0.507 1.00 0.00 H new ATOM 0 HD2 ARG A 145 21.934 2.024 -0.087 1.00 0.00 H new ATOM 0 HD3 ARG A 145 22.190 1.066 -1.532 1.00 0.00 H new ATOM 0 HE ARG A 145 19.939 2.750 -2.000 1.00 0.00 H new ATOM 0 HH11 ARG A 145 23.429 2.961 -1.470 1.00 0.00 H new ATOM 0 HH12 ARG A 145 23.596 4.447 -2.411 1.00 0.00 H new ATOM 0 HH21 ARG A 145 20.168 4.655 -3.204 1.00 0.00 H new ATOM 0 HH22 ARG A 145 21.759 5.401 -3.387 1.00 0.00 H new