USER MOD reduce.3.24.130724 H: found=0, std=0, add=1135, rem=0, adj=24 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= -0.168 USER MOD Set 1.2: A 117 GLN : amide:sc= -0.99 X(o=-1.2,f=-1.1) USER MOD Set 2.1: A 3 ASN : amide:sc= -2.79 K(o=-7.2,f=-4.4!) USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 63 ASN : amide:sc= -4.37 K(o=-7.2,f=-4.4) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.934 X(o=-0.93,f=-0.57) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -4.63! K(o=-4.6!,f=-1.9) USER MOD Single : A 15 HIS : no HE2:sc= -2.58! C(o=-2.6!,f=-2.8!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -17:sc= -2.18 USER MOD Single : A 21 MET CE :methyl -131:sc= -1.48 (180deg=-3.89!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 166:sc= -0.722 USER MOD Single : A 24 CYS SG : rot -77:sc= -6.49! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -6.98! C(o=-7!,f=-13!) USER MOD Single : A 28 CYS SG : rot -124:sc= -6.39! USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 144:sc= -0.423 (180deg=-1.37!) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -7.28! C(o=-7.3!,f=-9.9!) USER MOD Single : A 55 SER OG : rot 107:sc= 1.17 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 151:sc= -2.76 (180deg=-5.7!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -2.93 K(o=-2.9,f=-7.7!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 53:sc= 0.676 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.765 X(o=-0.77,f=-0.78) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -5.09! C(o=-5.1!,f=-11!) USER MOD Single : A 104 LYS NZ :NH3+ -124:sc= -3.56! (180deg=-8.02!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -5.99! C(o=-6!,f=-10!) USER MOD Single : A 122 MET CE :methyl 144:sc= -5.88! (180deg=-10!) USER MOD Single : A 125 SER OG : rot 180:sc= -0.0107 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -5.97! C(o=-6!,f=-5.8!) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 138 GLN : amide:sc= -0.672 K(o=-0.67,f=-0.001) USER MOD Single : A 139 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -18.440 -0.560 -5.582 1.00 0.00 N ATOM 21 CA GLU A 2 -17.873 -1.044 -6.835 1.00 0.00 C ATOM 22 C GLU A 2 -16.351 -1.165 -6.763 1.00 0.00 C ATOM 23 O GLU A 2 -15.779 -2.173 -7.177 1.00 0.00 O ATOM 24 CB GLU A 2 -18.263 -0.112 -7.983 1.00 0.00 C ATOM 25 CG GLU A 2 -19.665 -0.360 -8.516 1.00 0.00 C ATOM 26 CD GLU A 2 -19.818 0.052 -9.967 1.00 0.00 C ATOM 27 OE1 GLU A 2 -19.176 -0.578 -10.832 1.00 0.00 O ATOM 28 OE2 GLU A 2 -20.581 1.004 -10.236 1.00 0.00 O ATOM 0 HA GLU A 2 -18.279 -2.039 -7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -18.190 0.921 -7.643 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -17.547 -0.231 -8.796 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -19.906 -1.418 -8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -20.383 0.190 -7.908 1.00 0.00 H new ATOM 35 N ASN A 3 -15.698 -0.120 -6.261 1.00 0.00 N ATOM 36 CA ASN A 3 -14.241 -0.097 -6.166 1.00 0.00 C ATOM 37 C ASN A 3 -13.732 -0.757 -4.888 1.00 0.00 C ATOM 38 O ASN A 3 -12.659 -1.361 -4.879 1.00 0.00 O ATOM 39 CB ASN A 3 -13.743 1.344 -6.210 1.00 0.00 C ATOM 40 CG ASN A 3 -14.343 2.138 -7.350 1.00 0.00 C ATOM 41 OD1 ASN A 3 -15.047 1.595 -8.202 1.00 0.00 O ATOM 42 ND2 ASN A 3 -14.063 3.434 -7.368 1.00 0.00 N ATOM 0 H ASN A 3 -16.155 0.723 -5.913 1.00 0.00 H new ATOM 0 HA ASN A 3 -13.856 -0.663 -7.014 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.982 1.835 -5.266 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -12.657 1.345 -6.304 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -14.436 4.026 -8.110 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -13.475 3.839 -6.640 1.00 0.00 H new ATOM 49 N LEU A 4 -14.491 -0.627 -3.806 1.00 0.00 N ATOM 50 CA LEU A 4 -14.092 -1.197 -2.525 1.00 0.00 C ATOM 51 C LEU A 4 -13.775 -2.681 -2.659 1.00 0.00 C ATOM 52 O LEU A 4 -12.761 -3.153 -2.155 1.00 0.00 O ATOM 53 CB LEU A 4 -15.191 -0.982 -1.483 1.00 0.00 C ATOM 54 CG LEU A 4 -14.959 0.195 -0.534 1.00 0.00 C ATOM 55 CD1 LEU A 4 -16.276 0.668 0.062 1.00 0.00 C ATOM 56 CD2 LEU A 4 -13.981 -0.192 0.565 1.00 0.00 C ATOM 0 H LEU A 4 -15.383 -0.133 -3.790 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.187 -0.686 -2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -16.138 -0.831 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.293 -1.892 -0.891 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.527 1.018 -1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -16.091 1.506 0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -16.944 0.986 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -16.738 -0.148 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.827 0.657 1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.385 -1.030 1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.029 -0.481 0.120 1.00 0.00 H new ATOM 68 N LYS A 5 -14.643 -3.410 -3.342 1.00 0.00 N ATOM 69 CA LYS A 5 -14.435 -4.842 -3.530 1.00 0.00 C ATOM 70 C LYS A 5 -13.153 -5.105 -4.313 1.00 0.00 C ATOM 71 O LYS A 5 -12.557 -6.177 -4.203 1.00 0.00 O ATOM 72 CB LYS A 5 -15.627 -5.480 -4.248 1.00 0.00 C ATOM 73 CG LYS A 5 -16.978 -4.957 -3.787 1.00 0.00 C ATOM 74 CD LYS A 5 -17.134 -5.058 -2.279 1.00 0.00 C ATOM 75 CE LYS A 5 -18.485 -4.528 -1.823 1.00 0.00 C ATOM 76 NZ LYS A 5 -19.444 -5.628 -1.530 1.00 0.00 N ATOM 0 H LYS A 5 -15.491 -3.041 -3.773 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.342 -5.295 -2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.528 -5.307 -5.320 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.595 -6.559 -4.095 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -17.091 -3.918 -4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.773 -5.522 -4.274 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.026 -6.098 -1.970 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -16.338 -4.496 -1.791 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.352 -3.915 -0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.900 -3.881 -2.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -20.352 -5.224 -1.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -19.591 -6.198 -2.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -19.060 -6.231 -0.775 1.00 0.00 H new ATOM 90 N HIS A 6 -12.724 -4.118 -5.090 1.00 0.00 N ATOM 91 CA HIS A 6 -11.501 -4.244 -5.871 1.00 0.00 C ATOM 92 C HIS A 6 -10.307 -3.812 -5.032 1.00 0.00 C ATOM 93 O HIS A 6 -9.191 -4.299 -5.215 1.00 0.00 O ATOM 94 CB HIS A 6 -11.584 -3.402 -7.147 1.00 0.00 C ATOM 95 CG HIS A 6 -10.973 -4.071 -8.340 1.00 0.00 C ATOM 96 ND1 HIS A 6 -11.037 -5.432 -8.553 1.00 0.00 N ATOM 97 CD2 HIS A 6 -10.282 -3.562 -9.387 1.00 0.00 C ATOM 98 CE1 HIS A 6 -10.412 -5.730 -9.677 1.00 0.00 C ATOM 99 NE2 HIS A 6 -9.944 -4.614 -10.203 1.00 0.00 N ATOM 0 H HIS A 6 -13.204 -3.224 -5.196 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.377 -5.288 -6.159 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -12.630 -3.180 -7.360 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -11.083 -2.449 -6.978 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -10.041 -2.522 -9.550 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.302 -6.720 -10.095 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -9.417 -4.544 -11.074 1.00 0.00 H new ATOM 108 N ILE A 7 -10.561 -2.901 -4.098 1.00 0.00 N ATOM 109 CA ILE A 7 -9.526 -2.403 -3.209 1.00 0.00 C ATOM 110 C ILE A 7 -9.292 -3.383 -2.066 1.00 0.00 C ATOM 111 O ILE A 7 -8.152 -3.695 -1.728 1.00 0.00 O ATOM 112 CB ILE A 7 -9.909 -1.020 -2.641 1.00 0.00 C ATOM 113 CG1 ILE A 7 -9.788 0.039 -3.739 1.00 0.00 C ATOM 114 CG2 ILE A 7 -9.031 -0.651 -1.448 1.00 0.00 C ATOM 115 CD1 ILE A 7 -11.086 0.737 -4.086 1.00 0.00 C ATOM 0 H ILE A 7 -11.482 -2.493 -3.939 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.607 -2.301 -3.785 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.941 -1.063 -2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.061 0.788 -3.425 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.392 -0.433 -4.639 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.324 0.328 -1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.154 -1.396 -0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.987 -0.622 -1.760 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.906 1.470 -4.872 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.812 0.003 -4.434 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.475 1.242 -3.202 1.00 0.00 H new ATOM 127 N ILE A 8 -10.380 -3.874 -1.483 1.00 0.00 N ATOM 128 CA ILE A 8 -10.288 -4.827 -0.390 1.00 0.00 C ATOM 129 C ILE A 8 -9.646 -6.111 -0.879 1.00 0.00 C ATOM 130 O ILE A 8 -8.701 -6.623 -0.278 1.00 0.00 O ATOM 131 CB ILE A 8 -11.677 -5.158 0.175 1.00 0.00 C ATOM 132 CG1 ILE A 8 -12.409 -3.878 0.583 1.00 0.00 C ATOM 133 CG2 ILE A 8 -11.565 -6.113 1.354 1.00 0.00 C ATOM 134 CD1 ILE A 8 -13.906 -4.054 0.709 1.00 0.00 C ATOM 0 H ILE A 8 -11.333 -3.627 -1.750 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.683 -4.375 0.396 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.256 -5.650 -0.606 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.011 -3.529 1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -12.203 -3.101 -0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.560 -6.334 1.739 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.088 -7.038 1.029 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.966 -5.652 2.140 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.360 -3.107 1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.317 -4.374 -0.249 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.121 -4.808 1.466 1.00 0.00 H new ATOM 146 N THR A 9 -10.167 -6.618 -1.988 1.00 0.00 N ATOM 147 CA THR A 9 -9.647 -7.839 -2.585 1.00 0.00 C ATOM 148 C THR A 9 -8.179 -7.652 -2.940 1.00 0.00 C ATOM 149 O THR A 9 -7.339 -8.494 -2.624 1.00 0.00 O ATOM 150 CB THR A 9 -10.455 -8.216 -3.831 1.00 0.00 C ATOM 151 OG1 THR A 9 -10.254 -9.577 -4.165 1.00 0.00 O ATOM 152 CG2 THR A 9 -10.102 -7.388 -5.047 1.00 0.00 C ATOM 0 H THR A 9 -10.950 -6.202 -2.492 1.00 0.00 H new ATOM 0 HA THR A 9 -9.738 -8.651 -1.863 1.00 0.00 H new ATOM 0 HB THR A 9 -11.495 -8.022 -3.570 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.779 -9.799 -4.962 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.711 -7.707 -5.893 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.293 -6.335 -4.838 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.047 -7.525 -5.287 1.00 0.00 H new ATOM 160 N LEU A 10 -7.875 -6.526 -3.581 1.00 0.00 N ATOM 161 CA LEU A 10 -6.506 -6.219 -3.952 1.00 0.00 C ATOM 162 C LEU A 10 -5.687 -5.982 -2.701 1.00 0.00 C ATOM 163 O LEU A 10 -4.503 -6.314 -2.647 1.00 0.00 O ATOM 164 CB LEU A 10 -6.437 -5.001 -4.872 1.00 0.00 C ATOM 165 CG LEU A 10 -5.043 -4.693 -5.428 1.00 0.00 C ATOM 166 CD1 LEU A 10 -4.280 -5.978 -5.728 1.00 0.00 C ATOM 167 CD2 LEU A 10 -5.149 -3.831 -6.677 1.00 0.00 C ATOM 0 H LEU A 10 -8.558 -5.818 -3.851 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.098 -7.068 -4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.120 -5.155 -5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.795 -4.129 -4.325 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.488 -4.140 -4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.294 -5.732 -6.121 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.171 -6.559 -4.812 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.829 -6.564 -6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.150 -3.621 -7.060 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.725 -4.360 -7.436 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.648 -2.894 -6.431 1.00 0.00 H new ATOM 179 N GLY A 11 -6.335 -5.438 -1.674 1.00 0.00 N ATOM 180 CA GLY A 11 -5.647 -5.213 -0.427 1.00 0.00 C ATOM 181 C GLY A 11 -5.183 -6.529 0.154 1.00 0.00 C ATOM 182 O GLY A 11 -4.178 -6.588 0.860 1.00 0.00 O ATOM 0 H GLY A 11 -7.314 -5.153 -1.688 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.792 -4.556 -0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.309 -4.709 0.277 1.00 0.00 H new ATOM 186 N GLN A 12 -5.919 -7.593 -0.174 1.00 0.00 N ATOM 187 CA GLN A 12 -5.581 -8.931 0.287 1.00 0.00 C ATOM 188 C GLN A 12 -4.482 -9.522 -0.582 1.00 0.00 C ATOM 189 O GLN A 12 -3.589 -10.208 -0.088 1.00 0.00 O ATOM 190 CB GLN A 12 -6.813 -9.838 0.253 1.00 0.00 C ATOM 191 CG GLN A 12 -7.895 -9.431 1.237 1.00 0.00 C ATOM 192 CD GLN A 12 -7.380 -9.329 2.657 1.00 0.00 C ATOM 193 OE1 GLN A 12 -6.525 -10.108 3.078 1.00 0.00 O ATOM 194 NE2 GLN A 12 -7.902 -8.365 3.403 1.00 0.00 N ATOM 0 H GLN A 12 -6.754 -7.548 -0.759 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.226 -8.861 1.315 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.229 -9.833 -0.754 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.506 -10.862 0.466 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.313 -8.470 0.936 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.707 -10.157 1.200 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.609 -7.743 3.011 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.597 -8.246 4.369 1.00 0.00 H new ATOM 203 N VAL A 13 -4.541 -9.233 -1.878 1.00 0.00 N ATOM 204 CA VAL A 13 -3.535 -9.721 -2.805 1.00 0.00 C ATOM 205 C VAL A 13 -2.222 -9.021 -2.528 1.00 0.00 C ATOM 206 O VAL A 13 -1.226 -9.653 -2.191 1.00 0.00 O ATOM 207 CB VAL A 13 -3.956 -9.485 -4.263 1.00 0.00 C ATOM 208 CG1 VAL A 13 -2.775 -9.649 -5.213 1.00 0.00 C ATOM 209 CG2 VAL A 13 -5.084 -10.428 -4.633 1.00 0.00 C ATOM 0 H VAL A 13 -5.273 -8.666 -2.306 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.423 -10.796 -2.660 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.310 -8.459 -4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.105 -9.476 -6.237 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.998 -8.929 -4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.376 -10.660 -5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.378 -10.255 -5.668 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.749 -11.459 -4.518 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.937 -10.249 -3.979 1.00 0.00 H new ATOM 219 N ILE A 14 -2.240 -7.700 -2.635 1.00 0.00 N ATOM 220 CA ILE A 14 -1.061 -6.899 -2.354 1.00 0.00 C ATOM 221 C ILE A 14 -0.431 -7.368 -1.041 1.00 0.00 C ATOM 222 O ILE A 14 0.785 -7.303 -0.855 1.00 0.00 O ATOM 223 CB ILE A 14 -1.438 -5.402 -2.260 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.953 -4.643 -3.494 1.00 0.00 C ATOM 225 CG2 ILE A 14 -0.890 -4.767 -0.991 1.00 0.00 C ATOM 226 CD1 ILE A 14 -1.755 -3.395 -3.767 1.00 0.00 C ATOM 0 H ILE A 14 -3.060 -7.161 -2.915 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.342 -7.022 -3.164 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.525 -5.339 -2.220 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.095 -4.374 -3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.005 -5.300 -4.362 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.174 -3.715 -0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.299 -5.281 -0.121 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.197 -4.850 -0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.364 -2.898 -4.655 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.799 -3.662 -3.930 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.682 -2.722 -2.913 1.00 0.00 H new ATOM 238 N HIS A 15 -1.287 -7.851 -0.141 1.00 0.00 N ATOM 239 CA HIS A 15 -0.856 -8.348 1.154 1.00 0.00 C ATOM 240 C HIS A 15 -0.390 -9.801 1.050 1.00 0.00 C ATOM 241 O HIS A 15 0.559 -10.205 1.720 1.00 0.00 O ATOM 242 CB HIS A 15 -2.005 -8.211 2.156 1.00 0.00 C ATOM 243 CG HIS A 15 -2.157 -9.365 3.091 1.00 0.00 C ATOM 244 ND1 HIS A 15 -3.148 -10.308 2.948 1.00 0.00 N ATOM 245 CD2 HIS A 15 -1.442 -9.730 4.181 1.00 0.00 C ATOM 246 CE1 HIS A 15 -3.040 -11.204 3.905 1.00 0.00 C ATOM 247 NE2 HIS A 15 -2.013 -10.879 4.669 1.00 0.00 N ATOM 0 H HIS A 15 -2.294 -7.906 -0.293 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.009 -7.757 1.502 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.853 -7.304 2.741 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.937 -8.082 1.605 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -3.856 -10.312 2.214 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -0.585 -9.215 4.589 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.683 -12.061 4.043 1.00 0.00 H new ATOM 256 N LYS A 16 -1.060 -10.584 0.209 1.00 0.00 N ATOM 257 CA LYS A 16 -0.689 -11.981 0.036 1.00 0.00 C ATOM 258 C LYS A 16 0.563 -12.090 -0.828 1.00 0.00 C ATOM 259 O LYS A 16 1.478 -12.848 -0.515 1.00 0.00 O ATOM 260 CB LYS A 16 -1.850 -12.784 -0.569 1.00 0.00 C ATOM 261 CG LYS A 16 -1.924 -12.745 -2.088 1.00 0.00 C ATOM 262 CD LYS A 16 -3.284 -13.202 -2.583 1.00 0.00 C ATOM 263 CE LYS A 16 -3.390 -14.718 -2.600 1.00 0.00 C ATOM 264 NZ LYS A 16 -4.801 -15.175 -2.747 1.00 0.00 N ATOM 0 H LYS A 16 -1.852 -10.278 -0.356 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.468 -12.406 1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.762 -13.822 -0.249 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.788 -12.404 -0.163 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.728 -11.732 -2.438 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.147 -13.383 -2.509 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.063 -12.789 -1.942 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.457 -12.813 -3.586 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.793 -15.114 -3.421 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.972 -15.122 -1.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.830 -16.215 -2.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.366 -14.818 -1.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.192 -14.812 -3.639 1.00 0.00 H new ATOM 278 N ARG A 17 0.602 -11.308 -1.904 1.00 0.00 N ATOM 279 CA ARG A 17 1.748 -11.297 -2.805 1.00 0.00 C ATOM 280 C ARG A 17 3.008 -10.906 -2.044 1.00 0.00 C ATOM 281 O ARG A 17 4.028 -11.591 -2.118 1.00 0.00 O ATOM 282 CB ARG A 17 1.508 -10.322 -3.960 1.00 0.00 C ATOM 283 CG ARG A 17 0.922 -10.978 -5.199 1.00 0.00 C ATOM 284 CD ARG A 17 1.428 -10.317 -6.471 1.00 0.00 C ATOM 285 NE ARG A 17 1.347 -11.212 -7.624 1.00 0.00 N ATOM 286 CZ ARG A 17 0.227 -11.444 -8.305 1.00 0.00 C ATOM 287 NH1 ARG A 17 -0.908 -10.851 -7.953 1.00 0.00 N ATOM 288 NH2 ARG A 17 0.241 -12.271 -9.341 1.00 0.00 N ATOM 0 H ARG A 17 -0.150 -10.673 -2.172 1.00 0.00 H new ATOM 0 HA ARG A 17 1.879 -12.298 -3.215 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.835 -9.533 -3.624 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.452 -9.845 -4.224 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.182 -12.036 -5.209 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.166 -10.918 -5.164 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.845 -9.418 -6.669 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.462 -10.002 -6.329 1.00 0.00 H new ATOM 0 HE ARG A 17 2.199 -11.686 -7.924 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.925 -10.214 -7.157 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.763 -11.033 -8.479 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.110 -12.729 -9.616 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.617 -12.449 -9.863 1.00 0.00 H new ATOM 302 N CYS A 18 2.926 -9.804 -1.300 1.00 0.00 N ATOM 303 CA CYS A 18 4.058 -9.337 -0.512 1.00 0.00 C ATOM 304 C CYS A 18 4.458 -10.400 0.501 1.00 0.00 C ATOM 305 O CYS A 18 5.639 -10.578 0.800 1.00 0.00 O ATOM 306 CB CYS A 18 3.719 -8.022 0.198 1.00 0.00 C ATOM 307 SG CYS A 18 2.554 -8.185 1.569 1.00 0.00 S ATOM 0 H CYS A 18 2.091 -9.223 -1.228 1.00 0.00 H new ATOM 0 HA CYS A 18 4.897 -9.153 -1.183 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.641 -7.579 0.573 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.305 -7.326 -0.532 1.00 0.00 H new ATOM 0 HG CYS A 18 1.943 -9.329 1.485 1.00 0.00 H new ATOM 313 N GLU A 19 3.463 -11.117 1.010 1.00 0.00 N ATOM 314 CA GLU A 19 3.708 -12.182 1.970 1.00 0.00 C ATOM 315 C GLU A 19 4.496 -13.300 1.303 1.00 0.00 C ATOM 316 O GLU A 19 5.304 -13.975 1.944 1.00 0.00 O ATOM 317 CB GLU A 19 2.387 -12.723 2.520 1.00 0.00 C ATOM 318 CG GLU A 19 1.918 -12.016 3.780 1.00 0.00 C ATOM 319 CD GLU A 19 2.529 -12.599 5.039 1.00 0.00 C ATOM 320 OE1 GLU A 19 3.653 -12.190 5.397 1.00 0.00 O ATOM 321 OE2 GLU A 19 1.883 -13.465 5.667 1.00 0.00 O ATOM 0 H GLU A 19 2.481 -10.979 0.773 1.00 0.00 H new ATOM 0 HA GLU A 19 4.287 -11.781 2.802 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.618 -12.629 1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.499 -13.787 2.730 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.172 -10.958 3.714 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.832 -12.080 3.845 1.00 0.00 H new ATOM 328 N GLU A 20 4.262 -13.481 0.006 1.00 0.00 N ATOM 329 CA GLU A 20 4.962 -14.515 -0.759 1.00 0.00 C ATOM 330 C GLU A 20 6.338 -14.022 -1.193 1.00 0.00 C ATOM 331 O GLU A 20 7.290 -14.798 -1.277 1.00 0.00 O ATOM 332 CB GLU A 20 4.155 -14.925 -1.994 1.00 0.00 C ATOM 333 CG GLU A 20 2.652 -14.871 -1.792 1.00 0.00 C ATOM 334 CD GLU A 20 1.936 -16.064 -2.395 1.00 0.00 C ATOM 335 OE1 GLU A 20 2.372 -17.207 -2.143 1.00 0.00 O ATOM 336 OE2 GLU A 20 0.940 -15.855 -3.119 1.00 0.00 O ATOM 0 H GLU A 20 3.597 -12.930 -0.537 1.00 0.00 H new ATOM 0 HA GLU A 20 5.079 -15.383 -0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.424 -14.272 -2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.437 -15.938 -2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.435 -14.824 -0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.263 -13.956 -2.238 1.00 0.00 H new ATOM 343 N MET A 21 6.428 -12.723 -1.471 1.00 0.00 N ATOM 344 CA MET A 21 7.682 -12.099 -1.904 1.00 0.00 C ATOM 345 C MET A 21 8.879 -12.635 -1.124 1.00 0.00 C ATOM 346 O MET A 21 8.856 -12.702 0.105 1.00 0.00 O ATOM 347 CB MET A 21 7.603 -10.582 -1.734 1.00 0.00 C ATOM 348 CG MET A 21 6.761 -9.890 -2.793 1.00 0.00 C ATOM 349 SD MET A 21 7.647 -9.660 -4.346 1.00 0.00 S ATOM 350 CE MET A 21 8.357 -8.030 -4.113 1.00 0.00 C ATOM 0 H MET A 21 5.642 -12.076 -1.404 1.00 0.00 H new ATOM 0 HA MET A 21 7.823 -12.346 -2.956 1.00 0.00 H new ATOM 0 HB2 MET A 21 7.190 -10.357 -0.751 1.00 0.00 H new ATOM 0 HB3 MET A 21 8.612 -10.170 -1.758 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.861 -10.477 -2.976 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.437 -8.919 -2.417 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.152 -7.415 -4.989 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.916 -7.564 -3.232 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.435 -8.119 -3.976 1.00 0.00 H new ATOM 360 N LYS A 22 9.926 -13.006 -1.851 1.00 0.00 N ATOM 361 CA LYS A 22 11.141 -13.527 -1.238 1.00 0.00 C ATOM 362 C LYS A 22 12.224 -12.452 -1.173 1.00 0.00 C ATOM 363 O LYS A 22 13.284 -12.663 -0.583 1.00 0.00 O ATOM 364 CB LYS A 22 11.654 -14.738 -2.019 1.00 0.00 C ATOM 365 CG LYS A 22 10.814 -15.990 -1.824 1.00 0.00 C ATOM 366 CD LYS A 22 11.013 -16.982 -2.960 1.00 0.00 C ATOM 367 CE LYS A 22 9.686 -17.484 -3.504 1.00 0.00 C ATOM 368 NZ LYS A 22 9.868 -18.372 -4.685 1.00 0.00 N ATOM 0 H LYS A 22 9.958 -12.955 -2.869 1.00 0.00 H new ATOM 0 HA LYS A 22 10.900 -13.836 -0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.681 -14.490 -3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.679 -14.948 -1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.078 -16.462 -0.878 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.761 -15.716 -1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.580 -16.509 -3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.605 -17.826 -2.607 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.155 -18.026 -2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.063 -16.634 -3.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.939 -18.692 -5.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.352 -17.848 -5.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.441 -19.197 -4.414 1.00 0.00 H new ATOM 382 N TYR A 23 11.957 -11.297 -1.785 1.00 0.00 N ATOM 383 CA TYR A 23 12.916 -10.198 -1.791 1.00 0.00 C ATOM 384 C TYR A 23 12.310 -8.939 -1.179 1.00 0.00 C ATOM 385 O TYR A 23 11.101 -8.718 -1.262 1.00 0.00 O ATOM 386 CB TYR A 23 13.394 -9.915 -3.215 1.00 0.00 C ATOM 387 CG TYR A 23 14.815 -10.362 -3.469 1.00 0.00 C ATOM 388 CD1 TYR A 23 15.891 -9.595 -3.040 1.00 0.00 C ATOM 389 CD2 TYR A 23 15.082 -11.552 -4.134 1.00 0.00 C ATOM 390 CE1 TYR A 23 17.192 -10.001 -3.267 1.00 0.00 C ATOM 391 CE2 TYR A 23 16.380 -11.965 -4.363 1.00 0.00 C ATOM 392 CZ TYR A 23 17.431 -11.187 -3.928 1.00 0.00 C ATOM 393 OH TYR A 23 18.725 -11.595 -4.155 1.00 0.00 O ATOM 0 H TYR A 23 11.087 -11.101 -2.280 1.00 0.00 H new ATOM 0 HA TYR A 23 13.772 -10.494 -1.184 1.00 0.00 H new ATOM 0 HB2 TYR A 23 12.731 -10.417 -3.920 1.00 0.00 H new ATOM 0 HB3 TYR A 23 13.316 -8.846 -3.411 1.00 0.00 H new ATOM 0 HD1 TYR A 23 15.707 -8.666 -2.521 1.00 0.00 H new ATOM 0 HD2 TYR A 23 14.261 -12.164 -4.478 1.00 0.00 H new ATOM 0 HE1 TYR A 23 18.017 -9.392 -2.928 1.00 0.00 H new ATOM 0 HE2 TYR A 23 16.570 -12.894 -4.881 1.00 0.00 H new ATOM 0 HH TYR A 23 18.728 -12.537 -4.424 1.00 0.00 H new ATOM 403 N CYS A 24 13.164 -8.116 -0.565 1.00 0.00 N ATOM 404 CA CYS A 24 12.731 -6.871 0.072 1.00 0.00 C ATOM 405 C CYS A 24 11.374 -7.037 0.749 1.00 0.00 C ATOM 406 O CYS A 24 10.504 -6.173 0.639 1.00 0.00 O ATOM 407 CB CYS A 24 12.664 -5.748 -0.961 1.00 0.00 C ATOM 408 SG CYS A 24 14.107 -5.658 -2.049 1.00 0.00 S ATOM 0 H CYS A 24 14.166 -8.292 -0.496 1.00 0.00 H new ATOM 0 HA CYS A 24 13.463 -6.614 0.838 1.00 0.00 H new ATOM 0 HB2 CYS A 24 11.771 -5.883 -1.571 1.00 0.00 H new ATOM 0 HB3 CYS A 24 12.555 -4.796 -0.441 1.00 0.00 H new ATOM 0 HG CYS A 24 15.101 -5.118 -1.408 1.00 0.00 H new ATOM 414 N LYS A 25 11.194 -8.160 1.436 1.00 0.00 N ATOM 415 CA LYS A 25 9.935 -8.439 2.114 1.00 0.00 C ATOM 416 C LYS A 25 9.581 -7.346 3.107 1.00 0.00 C ATOM 417 O LYS A 25 8.487 -6.800 3.065 1.00 0.00 O ATOM 418 CB LYS A 25 9.983 -9.779 2.832 1.00 0.00 C ATOM 419 CG LYS A 25 10.502 -10.920 1.973 1.00 0.00 C ATOM 420 CD LYS A 25 10.412 -12.253 2.700 1.00 0.00 C ATOM 421 CE LYS A 25 11.651 -13.102 2.464 1.00 0.00 C ATOM 422 NZ LYS A 25 11.339 -14.557 2.479 1.00 0.00 N ATOM 0 H LYS A 25 11.901 -8.888 1.537 1.00 0.00 H new ATOM 0 HA LYS A 25 9.163 -8.474 1.345 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.616 -9.685 3.714 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.982 -10.028 3.183 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.928 -10.970 1.048 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.538 -10.725 1.695 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.288 -12.078 3.769 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.529 -12.794 2.361 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.096 -12.836 1.505 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.393 -12.882 3.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.210 -15.101 2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.938 -14.817 3.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.650 -14.772 1.730 1.00 0.00 H new ATOM 436 N LYS A 26 10.505 -7.026 4.009 1.00 0.00 N ATOM 437 CA LYS A 26 10.260 -5.991 5.010 1.00 0.00 C ATOM 438 C LYS A 26 9.536 -4.802 4.386 1.00 0.00 C ATOM 439 O LYS A 26 8.566 -4.282 4.942 1.00 0.00 O ATOM 440 CB LYS A 26 11.581 -5.532 5.631 1.00 0.00 C ATOM 441 CG LYS A 26 12.578 -5.003 4.614 1.00 0.00 C ATOM 442 CD LYS A 26 13.898 -4.630 5.270 1.00 0.00 C ATOM 443 CE LYS A 26 14.726 -5.862 5.598 1.00 0.00 C ATOM 444 NZ LYS A 26 15.505 -5.689 6.854 1.00 0.00 N ATOM 0 H LYS A 26 11.424 -7.465 4.068 1.00 0.00 H new ATOM 0 HA LYS A 26 9.628 -6.412 5.792 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.377 -4.754 6.366 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.030 -6.367 6.168 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.752 -5.758 3.847 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.160 -4.130 4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.464 -3.977 4.606 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.705 -4.067 6.183 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.069 -6.726 5.695 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.408 -6.071 4.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.056 -6.551 7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.151 -4.880 6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.853 -5.515 7.646 1.00 0.00 H new ATOM 458 N GLN A 27 10.008 -4.392 3.216 1.00 0.00 N ATOM 459 CA GLN A 27 9.411 -3.276 2.500 1.00 0.00 C ATOM 460 C GLN A 27 8.043 -3.649 1.932 1.00 0.00 C ATOM 461 O GLN A 27 7.035 -3.027 2.266 1.00 0.00 O ATOM 462 CB GLN A 27 10.340 -2.813 1.374 1.00 0.00 C ATOM 463 CG GLN A 27 10.960 -1.447 1.624 1.00 0.00 C ATOM 464 CD GLN A 27 12.387 -1.350 1.120 1.00 0.00 C ATOM 465 OE1 GLN A 27 12.741 -0.417 0.401 1.00 0.00 O ATOM 466 NE2 GLN A 27 13.215 -2.316 1.499 1.00 0.00 N ATOM 0 H GLN A 27 10.805 -4.818 2.743 1.00 0.00 H new ATOM 0 HA GLN A 27 9.271 -2.459 3.208 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.136 -3.547 1.245 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.779 -2.784 0.440 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.354 -0.683 1.136 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.941 -1.234 2.693 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.878 -3.071 2.096 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.188 -2.303 1.193 1.00 0.00 H new ATOM 475 N CYS A 28 8.008 -4.660 1.066 1.00 0.00 N ATOM 476 CA CYS A 28 6.752 -5.083 0.455 1.00 0.00 C ATOM 477 C CYS A 28 5.783 -5.637 1.500 1.00 0.00 C ATOM 478 O CYS A 28 4.607 -5.274 1.515 1.00 0.00 O ATOM 479 CB CYS A 28 7.007 -6.105 -0.663 1.00 0.00 C ATOM 480 SG CYS A 28 7.188 -7.819 -0.116 1.00 0.00 S ATOM 0 H CYS A 28 8.826 -5.196 0.775 1.00 0.00 H new ATOM 0 HA CYS A 28 6.284 -4.205 0.010 1.00 0.00 H new ATOM 0 HB2 CYS A 28 6.183 -6.053 -1.375 1.00 0.00 H new ATOM 0 HB3 CYS A 28 7.911 -5.815 -1.199 1.00 0.00 H new ATOM 0 HG CYS A 28 8.325 -8.290 -0.534 1.00 0.00 H new ATOM 486 N ARG A 29 6.276 -6.514 2.375 1.00 0.00 N ATOM 487 CA ARG A 29 5.444 -7.104 3.419 1.00 0.00 C ATOM 488 C ARG A 29 4.613 -6.035 4.125 1.00 0.00 C ATOM 489 O ARG A 29 3.435 -6.242 4.410 1.00 0.00 O ATOM 490 CB ARG A 29 6.312 -7.866 4.430 1.00 0.00 C ATOM 491 CG ARG A 29 6.946 -6.989 5.502 1.00 0.00 C ATOM 492 CD ARG A 29 7.685 -7.822 6.536 1.00 0.00 C ATOM 493 NE ARG A 29 8.263 -6.997 7.594 1.00 0.00 N ATOM 494 CZ ARG A 29 8.646 -7.471 8.778 1.00 0.00 C ATOM 495 NH1 ARG A 29 8.513 -8.761 9.059 1.00 0.00 N ATOM 496 NH2 ARG A 29 9.165 -6.652 9.683 1.00 0.00 N ATOM 0 H ARG A 29 7.246 -6.830 2.380 1.00 0.00 H new ATOM 0 HA ARG A 29 4.758 -7.809 2.949 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.700 -8.627 4.915 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.102 -8.388 3.891 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.638 -6.287 5.037 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.174 -6.398 5.994 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.999 -8.546 6.975 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.476 -8.389 6.046 1.00 0.00 H new ATOM 0 HE ARG A 29 8.380 -6.000 7.415 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.116 -9.396 8.366 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.808 -9.118 9.968 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.271 -5.660 9.472 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.459 -7.014 10.590 1.00 0.00 H new ATOM 510 N ARG A 30 5.235 -4.890 4.401 1.00 0.00 N ATOM 511 CA ARG A 30 4.539 -3.798 5.070 1.00 0.00 C ATOM 512 C ARG A 30 3.517 -3.148 4.145 1.00 0.00 C ATOM 513 O ARG A 30 2.404 -2.842 4.564 1.00 0.00 O ATOM 514 CB ARG A 30 5.526 -2.743 5.562 1.00 0.00 C ATOM 515 CG ARG A 30 6.312 -3.166 6.792 1.00 0.00 C ATOM 516 CD ARG A 30 6.219 -2.129 7.901 1.00 0.00 C ATOM 517 NE ARG A 30 6.227 -2.740 9.228 1.00 0.00 N ATOM 518 CZ ARG A 30 7.308 -3.271 9.793 1.00 0.00 C ATOM 519 NH1 ARG A 30 8.470 -3.271 9.149 1.00 0.00 N ATOM 520 NH2 ARG A 30 7.229 -3.805 11.004 1.00 0.00 N ATOM 0 H ARG A 30 6.210 -4.697 4.173 1.00 0.00 H new ATOM 0 HA ARG A 30 4.016 -4.223 5.927 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.224 -2.509 4.758 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.981 -1.826 5.788 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.934 -4.122 7.155 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.357 -3.318 6.522 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.055 -1.434 7.818 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.306 -1.547 7.776 1.00 0.00 H new ATOM 0 HE ARG A 30 5.352 -2.761 9.752 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.536 -2.863 8.217 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.296 -3.679 9.587 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.339 -3.809 11.503 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.058 -4.212 11.437 1.00 0.00 H new ATOM 534 N LEU A 31 3.895 -2.935 2.883 1.00 0.00 N ATOM 535 CA LEU A 31 2.989 -2.318 1.913 1.00 0.00 C ATOM 536 C LEU A 31 1.617 -2.974 1.978 1.00 0.00 C ATOM 537 O LEU A 31 0.589 -2.297 1.977 1.00 0.00 O ATOM 538 CB LEU A 31 3.553 -2.432 0.493 1.00 0.00 C ATOM 539 CG LEU A 31 2.607 -1.978 -0.628 1.00 0.00 C ATOM 540 CD1 LEU A 31 1.975 -0.630 -0.298 1.00 0.00 C ATOM 541 CD2 LEU A 31 3.352 -1.910 -1.956 1.00 0.00 C ATOM 0 H LEU A 31 4.813 -3.178 2.511 1.00 0.00 H new ATOM 0 HA LEU A 31 2.891 -1.262 2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.468 -1.842 0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.831 -3.470 0.313 1.00 0.00 H new ATOM 0 HG LEU A 31 1.806 -2.712 -0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.310 -0.332 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.405 -0.712 0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.758 0.119 -0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.668 -1.587 -2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.174 -1.199 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.747 -2.896 -2.202 1.00 0.00 H new ATOM 553 N GLY A 32 1.613 -4.299 2.049 1.00 0.00 N ATOM 554 CA GLY A 32 0.368 -5.030 2.130 1.00 0.00 C ATOM 555 C GLY A 32 -0.271 -4.905 3.494 1.00 0.00 C ATOM 556 O GLY A 32 -1.471 -4.653 3.605 1.00 0.00 O ATOM 0 H GLY A 32 2.452 -4.879 2.052 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.321 -4.659 1.371 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.549 -6.082 1.909 1.00 0.00 H new ATOM 560 N HIS A 33 0.535 -5.069 4.537 1.00 0.00 N ATOM 561 CA HIS A 33 0.042 -4.959 5.903 1.00 0.00 C ATOM 562 C HIS A 33 -0.529 -3.565 6.147 1.00 0.00 C ATOM 563 O HIS A 33 -1.556 -3.412 6.807 1.00 0.00 O ATOM 564 CB HIS A 33 1.161 -5.258 6.904 1.00 0.00 C ATOM 565 CG HIS A 33 0.930 -6.502 7.705 1.00 0.00 C ATOM 566 ND1 HIS A 33 0.934 -6.520 9.083 1.00 0.00 N ATOM 567 CD2 HIS A 33 0.687 -7.775 7.313 1.00 0.00 C ATOM 568 CE1 HIS A 33 0.704 -7.752 9.507 1.00 0.00 C ATOM 569 NE2 HIS A 33 0.550 -8.531 8.452 1.00 0.00 N ATOM 0 H HIS A 33 1.531 -5.278 4.462 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.752 -5.693 6.045 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.104 -5.352 6.365 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.265 -4.412 7.583 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.614 -8.130 6.295 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.651 -8.067 10.539 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.360 -9.533 8.478 1.00 0.00 H new ATOM 578 N ARG A 34 0.131 -2.554 5.586 1.00 0.00 N ATOM 579 CA ARG A 34 -0.331 -1.181 5.721 1.00 0.00 C ATOM 580 C ARG A 34 -1.592 -1.003 4.889 1.00 0.00 C ATOM 581 O ARG A 34 -2.586 -0.432 5.344 1.00 0.00 O ATOM 582 CB ARG A 34 0.755 -0.199 5.265 1.00 0.00 C ATOM 583 CG ARG A 34 1.960 -0.141 6.195 1.00 0.00 C ATOM 584 CD ARG A 34 3.245 0.134 5.427 1.00 0.00 C ATOM 585 NE ARG A 34 4.330 0.580 6.304 1.00 0.00 N ATOM 586 CZ ARG A 34 5.620 0.493 5.992 1.00 0.00 C ATOM 587 NH1 ARG A 34 5.996 -0.012 4.827 1.00 0.00 N ATOM 588 NH2 ARG A 34 6.538 0.915 6.848 1.00 0.00 N ATOM 0 H ARG A 34 0.983 -2.662 5.037 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.551 -0.973 6.768 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.091 -0.481 4.267 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.321 0.798 5.185 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.807 0.638 6.942 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.051 -1.085 6.733 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.553 -0.770 4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.057 0.894 4.669 1.00 0.00 H new ATOM 0 HE ARG A 34 4.081 0.981 7.208 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.294 -0.337 4.162 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.987 -0.075 4.595 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.256 1.307 7.747 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.527 0.848 6.609 1.00 0.00 H new ATOM 602 N VAL A 35 -1.549 -1.532 3.670 1.00 0.00 N ATOM 603 CA VAL A 35 -2.695 -1.471 2.772 1.00 0.00 C ATOM 604 C VAL A 35 -3.912 -2.091 3.451 1.00 0.00 C ATOM 605 O VAL A 35 -4.988 -1.495 3.489 1.00 0.00 O ATOM 606 CB VAL A 35 -2.405 -2.204 1.440 1.00 0.00 C ATOM 607 CG1 VAL A 35 -3.696 -2.574 0.722 1.00 0.00 C ATOM 608 CG2 VAL A 35 -1.522 -1.347 0.547 1.00 0.00 C ATOM 0 H VAL A 35 -0.734 -2.007 3.283 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.895 -0.424 2.544 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.876 -3.129 1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.460 -3.087 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.290 -3.231 1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.263 -1.669 0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.326 -1.875 -0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.027 -0.405 0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.579 -1.145 1.054 1.00 0.00 H new ATOM 618 N LEU A 36 -3.722 -3.288 4.004 1.00 0.00 N ATOM 619 CA LEU A 36 -4.796 -3.985 4.705 1.00 0.00 C ATOM 620 C LEU A 36 -5.435 -3.062 5.736 1.00 0.00 C ATOM 621 O LEU A 36 -6.657 -3.016 5.871 1.00 0.00 O ATOM 622 CB LEU A 36 -4.263 -5.245 5.402 1.00 0.00 C ATOM 623 CG LEU A 36 -3.998 -6.455 4.494 1.00 0.00 C ATOM 624 CD1 LEU A 36 -3.945 -7.733 5.316 1.00 0.00 C ATOM 625 CD2 LEU A 36 -5.062 -6.570 3.417 1.00 0.00 C ATOM 0 H LEU A 36 -2.836 -3.793 3.980 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.545 -4.281 3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.335 -4.989 5.913 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.978 -5.541 6.170 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.034 -6.307 4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.757 -8.581 4.658 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.144 -7.659 6.052 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.896 -7.876 5.828 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.851 -7.435 2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.040 -6.690 3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.060 -5.667 2.806 1.00 0.00 H new ATOM 637 N GLY A 37 -4.596 -2.322 6.454 1.00 0.00 N ATOM 638 CA GLY A 37 -5.092 -1.399 7.458 1.00 0.00 C ATOM 639 C GLY A 37 -6.015 -0.354 6.866 1.00 0.00 C ATOM 640 O GLY A 37 -6.888 0.175 7.552 1.00 0.00 O ATOM 0 H GLY A 37 -3.581 -2.345 6.358 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.623 -1.955 8.230 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.250 -0.905 7.943 1.00 0.00 H new ATOM 644 N LEU A 38 -5.827 -0.063 5.584 1.00 0.00 N ATOM 645 CA LEU A 38 -6.657 0.918 4.892 1.00 0.00 C ATOM 646 C LEU A 38 -7.993 0.299 4.509 1.00 0.00 C ATOM 647 O LEU A 38 -9.032 0.960 4.541 1.00 0.00 O ATOM 648 CB LEU A 38 -5.945 1.435 3.642 1.00 0.00 C ATOM 649 CG LEU A 38 -4.507 1.903 3.862 1.00 0.00 C ATOM 650 CD1 LEU A 38 -3.876 2.306 2.542 1.00 0.00 C ATOM 651 CD2 LEU A 38 -4.467 3.061 4.847 1.00 0.00 C ATOM 0 H LEU A 38 -5.107 -0.492 5.002 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.834 1.756 5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.943 0.645 2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.522 2.264 3.231 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.935 1.076 4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.852 2.637 2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.872 1.452 1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.450 3.119 2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.435 3.381 4.991 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.053 3.892 4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.884 2.741 5.802 1.00 0.00 H new ATOM 663 N ILE A 39 -7.955 -0.979 4.156 1.00 0.00 N ATOM 664 CA ILE A 39 -9.155 -1.707 3.775 1.00 0.00 C ATOM 665 C ILE A 39 -9.856 -2.261 5.013 1.00 0.00 C ATOM 666 O ILE A 39 -11.040 -2.595 4.974 1.00 0.00 O ATOM 667 CB ILE A 39 -8.833 -2.856 2.779 1.00 0.00 C ATOM 668 CG1 ILE A 39 -8.908 -4.232 3.455 1.00 0.00 C ATOM 669 CG2 ILE A 39 -7.458 -2.661 2.156 1.00 0.00 C ATOM 670 CD1 ILE A 39 -8.493 -5.375 2.550 1.00 0.00 C ATOM 0 H ILE A 39 -7.100 -1.534 4.126 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.822 -1.007 3.272 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.589 -2.822 1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.270 -4.229 4.339 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.928 -4.404 3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.254 -3.477 1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.433 -1.713 1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.701 -2.653 2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.571 -6.316 3.094 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.147 -5.405 1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.463 -5.227 2.226 1.00 0.00 H new ATOM 682 N LYS A 40 -9.108 -2.364 6.109 1.00 0.00 N ATOM 683 CA LYS A 40 -9.649 -2.888 7.359 1.00 0.00 C ATOM 684 C LYS A 40 -10.905 -2.123 7.795 1.00 0.00 C ATOM 685 O LYS A 40 -11.978 -2.712 7.911 1.00 0.00 O ATOM 686 CB LYS A 40 -8.586 -2.850 8.464 1.00 0.00 C ATOM 687 CG LYS A 40 -7.749 -4.118 8.557 1.00 0.00 C ATOM 688 CD LYS A 40 -8.614 -5.366 8.640 1.00 0.00 C ATOM 689 CE LYS A 40 -7.883 -6.504 9.333 1.00 0.00 C ATOM 690 NZ LYS A 40 -7.310 -6.082 10.641 1.00 0.00 N ATOM 0 H LYS A 40 -8.126 -2.092 6.156 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.937 -3.925 7.185 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.924 -2.001 8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.077 -2.679 9.422 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.096 -4.186 7.687 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.105 -4.064 9.435 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.532 -5.138 9.182 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.905 -5.676 7.636 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.571 -7.335 9.489 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.084 -6.868 8.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.377 -6.868 11.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.312 -5.818 10.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.840 -5.265 11.005 1.00 0.00 H new ATOM 704 N PRO A 41 -10.804 -0.800 8.044 1.00 0.00 N ATOM 705 CA PRO A 41 -11.959 0.003 8.462 1.00 0.00 C ATOM 706 C PRO A 41 -13.121 -0.119 7.487 1.00 0.00 C ATOM 707 O PRO A 41 -14.281 -0.176 7.894 1.00 0.00 O ATOM 708 CB PRO A 41 -11.425 1.440 8.484 1.00 0.00 C ATOM 709 CG PRO A 41 -9.948 1.301 8.616 1.00 0.00 C ATOM 710 CD PRO A 41 -9.578 0.010 7.938 1.00 0.00 C ATOM 0 HA PRO A 41 -12.352 -0.324 9.425 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.691 1.974 7.572 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.844 2.004 9.317 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.436 2.144 8.151 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.652 1.287 9.665 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.292 0.171 6.899 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.734 -0.474 8.430 1.00 0.00 H new ATOM 718 N LEU A 42 -12.806 -0.169 6.197 1.00 0.00 N ATOM 719 CA LEU A 42 -13.834 -0.297 5.175 1.00 0.00 C ATOM 720 C LEU A 42 -14.626 -1.575 5.382 1.00 0.00 C ATOM 721 O LEU A 42 -15.843 -1.598 5.206 1.00 0.00 O ATOM 722 CB LEU A 42 -13.221 -0.304 3.780 1.00 0.00 C ATOM 723 CG LEU A 42 -12.252 0.834 3.484 1.00 0.00 C ATOM 724 CD1 LEU A 42 -11.437 0.504 2.248 1.00 0.00 C ATOM 725 CD2 LEU A 42 -13.004 2.144 3.302 1.00 0.00 C ATOM 0 H LEU A 42 -11.853 -0.123 5.838 1.00 0.00 H new ATOM 0 HA LEU A 42 -14.499 0.562 5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.698 -1.250 3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.027 -0.271 3.047 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.575 0.952 4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.745 1.320 2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.874 -0.414 2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.105 0.368 1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.295 2.944 3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -13.702 2.050 2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.554 2.377 4.214 1.00 0.00 H new ATOM 737 N GLU A 43 -13.930 -2.642 5.765 1.00 0.00 N ATOM 738 CA GLU A 43 -14.583 -3.920 6.001 1.00 0.00 C ATOM 739 C GLU A 43 -15.756 -3.740 6.960 1.00 0.00 C ATOM 740 O GLU A 43 -16.748 -4.463 6.891 1.00 0.00 O ATOM 741 CB GLU A 43 -13.593 -4.941 6.563 1.00 0.00 C ATOM 742 CG GLU A 43 -12.541 -5.383 5.558 1.00 0.00 C ATOM 743 CD GLU A 43 -12.784 -6.787 5.039 1.00 0.00 C ATOM 744 OE1 GLU A 43 -13.730 -6.970 4.245 1.00 0.00 O ATOM 745 OE2 GLU A 43 -12.028 -7.702 5.426 1.00 0.00 O ATOM 0 H GLU A 43 -12.921 -2.645 5.917 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.957 -4.296 5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.095 -4.512 7.433 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.143 -5.816 6.910 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.530 -4.687 4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.557 -5.337 6.024 1.00 0.00 H new ATOM 752 N MET A 44 -15.640 -2.754 7.846 1.00 0.00 N ATOM 753 CA MET A 44 -16.698 -2.465 8.803 1.00 0.00 C ATOM 754 C MET A 44 -17.759 -1.567 8.168 1.00 0.00 C ATOM 755 O MET A 44 -18.906 -1.531 8.613 1.00 0.00 O ATOM 756 CB MET A 44 -16.120 -1.792 10.048 1.00 0.00 C ATOM 757 CG MET A 44 -15.133 -2.664 10.808 1.00 0.00 C ATOM 758 SD MET A 44 -13.841 -1.704 11.620 1.00 0.00 S ATOM 759 CE MET A 44 -12.544 -2.931 11.760 1.00 0.00 C ATOM 0 H MET A 44 -14.825 -2.145 7.919 1.00 0.00 H new ATOM 0 HA MET A 44 -17.164 -3.406 9.096 1.00 0.00 H new ATOM 0 HB2 MET A 44 -15.624 -0.867 9.754 1.00 0.00 H new ATOM 0 HB3 MET A 44 -16.937 -1.517 10.715 1.00 0.00 H new ATOM 0 HG2 MET A 44 -15.670 -3.248 11.555 1.00 0.00 H new ATOM 0 HG3 MET A 44 -14.675 -3.373 10.119 1.00 0.00 H new ATOM 0 HE1 MET A 44 -11.674 -2.487 12.244 1.00 0.00 H new ATOM 0 HE2 MET A 44 -12.901 -3.772 12.355 1.00 0.00 H new ATOM 0 HE3 MET A 44 -12.266 -3.282 10.766 1.00 0.00 H new ATOM 769 N LEU A 45 -17.361 -0.836 7.130 1.00 0.00 N ATOM 770 CA LEU A 45 -18.262 0.072 6.429 1.00 0.00 C ATOM 771 C LEU A 45 -18.969 -0.614 5.258 1.00 0.00 C ATOM 772 O LEU A 45 -20.198 -0.661 5.206 1.00 0.00 O ATOM 773 CB LEU A 45 -17.484 1.287 5.919 1.00 0.00 C ATOM 774 CG LEU A 45 -17.582 2.536 6.793 1.00 0.00 C ATOM 775 CD1 LEU A 45 -16.507 2.519 7.870 1.00 0.00 C ATOM 776 CD2 LEU A 45 -17.467 3.790 5.939 1.00 0.00 C ATOM 0 H LEU A 45 -16.413 -0.856 6.754 1.00 0.00 H new ATOM 0 HA LEU A 45 -19.025 0.390 7.139 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.434 1.012 5.823 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -17.841 1.534 4.919 1.00 0.00 H new ATOM 0 HG LEU A 45 -18.556 2.541 7.283 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -16.592 3.416 8.483 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -16.635 1.637 8.498 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -15.523 2.491 7.402 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -17.539 4.672 6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -16.507 3.792 5.423 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -18.273 3.806 5.205 1.00 0.00 H new ATOM 788 N GLN A 46 -18.188 -1.114 4.303 1.00 0.00 N ATOM 789 CA GLN A 46 -18.749 -1.761 3.119 1.00 0.00 C ATOM 790 C GLN A 46 -19.267 -3.172 3.408 1.00 0.00 C ATOM 791 O GLN A 46 -20.336 -3.553 2.930 1.00 0.00 O ATOM 792 CB GLN A 46 -17.704 -1.813 2.002 1.00 0.00 C ATOM 793 CG GLN A 46 -16.538 -2.743 2.294 1.00 0.00 C ATOM 794 CD GLN A 46 -16.825 -4.181 1.904 1.00 0.00 C ATOM 795 OE1 GLN A 46 -17.760 -4.457 1.154 1.00 0.00 O ATOM 796 NE2 GLN A 46 -16.021 -5.105 2.417 1.00 0.00 N ATOM 0 H GLN A 46 -17.169 -1.084 4.325 1.00 0.00 H new ATOM 0 HA GLN A 46 -19.602 -1.160 2.804 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -18.188 -2.132 1.079 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -17.320 -0.808 1.830 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -15.656 -2.394 1.756 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -16.301 -2.699 3.357 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.257 -4.830 3.035 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -16.167 -6.089 2.193 1.00 0.00 H new ATOM 805 N ASP A 47 -18.504 -3.952 4.166 1.00 0.00 N ATOM 806 CA ASP A 47 -18.897 -5.324 4.476 1.00 0.00 C ATOM 807 C ASP A 47 -20.050 -5.377 5.479 1.00 0.00 C ATOM 808 O ASP A 47 -21.200 -5.599 5.098 1.00 0.00 O ATOM 809 CB ASP A 47 -17.697 -6.117 5.002 1.00 0.00 C ATOM 810 CG ASP A 47 -17.450 -7.386 4.208 1.00 0.00 C ATOM 811 OD1 ASP A 47 -17.538 -7.333 2.964 1.00 0.00 O ATOM 812 OD2 ASP A 47 -17.169 -8.431 4.832 1.00 0.00 O ATOM 0 H ASP A 47 -17.616 -3.662 4.575 1.00 0.00 H new ATOM 0 HA ASP A 47 -19.248 -5.779 3.550 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.806 -5.490 4.966 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.864 -6.373 6.048 1.00 0.00 H new ATOM 928 N SER A 55 -20.655 9.223 -3.842 1.00 0.00 N ATOM 929 CA SER A 55 -20.762 10.355 -4.754 1.00 0.00 C ATOM 930 C SER A 55 -19.626 10.330 -5.772 1.00 0.00 C ATOM 931 O SER A 55 -18.758 9.460 -5.725 1.00 0.00 O ATOM 932 CB SER A 55 -20.738 11.671 -3.975 1.00 0.00 C ATOM 933 OG SER A 55 -22.043 12.052 -3.576 1.00 0.00 O ATOM 0 HA SER A 55 -21.710 10.278 -5.286 1.00 0.00 H new ATOM 0 HB2 SER A 55 -20.102 11.565 -3.096 1.00 0.00 H new ATOM 0 HB3 SER A 55 -20.300 12.455 -4.593 1.00 0.00 H new ATOM 0 HG SER A 55 -22.145 11.909 -2.612 1.00 0.00 H new ATOM 939 N GLU A 56 -19.638 11.291 -6.689 1.00 0.00 N ATOM 940 CA GLU A 56 -18.606 11.377 -7.715 1.00 0.00 C ATOM 941 C GLU A 56 -17.220 11.504 -7.086 1.00 0.00 C ATOM 942 O GLU A 56 -16.222 11.088 -7.673 1.00 0.00 O ATOM 943 CB GLU A 56 -18.871 12.569 -8.636 1.00 0.00 C ATOM 944 CG GLU A 56 -18.004 12.578 -9.885 1.00 0.00 C ATOM 945 CD GLU A 56 -18.127 13.869 -10.669 1.00 0.00 C ATOM 946 OE1 GLU A 56 -19.101 14.007 -11.440 1.00 0.00 O ATOM 947 OE2 GLU A 56 -17.248 14.744 -10.515 1.00 0.00 O ATOM 0 H GLU A 56 -20.349 12.020 -6.743 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.636 10.459 -8.302 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -19.920 12.562 -8.932 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.702 13.491 -8.080 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.962 12.427 -9.601 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.285 11.741 -10.524 1.00 0.00 H new ATOM 954 N LYS A 57 -17.170 12.083 -5.890 1.00 0.00 N ATOM 955 CA LYS A 57 -15.909 12.268 -5.183 1.00 0.00 C ATOM 956 C LYS A 57 -15.471 10.981 -4.490 1.00 0.00 C ATOM 957 O LYS A 57 -14.302 10.603 -4.547 1.00 0.00 O ATOM 958 CB LYS A 57 -16.038 13.395 -4.157 1.00 0.00 C ATOM 959 CG LYS A 57 -16.748 14.627 -4.695 1.00 0.00 C ATOM 960 CD LYS A 57 -16.426 15.861 -3.868 1.00 0.00 C ATOM 961 CE LYS A 57 -17.321 15.960 -2.643 1.00 0.00 C ATOM 962 NZ LYS A 57 -16.583 16.480 -1.458 1.00 0.00 N ATOM 0 H LYS A 57 -17.988 12.432 -5.391 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.149 12.536 -5.917 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.580 13.024 -3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.043 13.679 -3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.453 14.795 -5.731 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -17.825 14.457 -4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.382 15.829 -3.556 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.548 16.754 -4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.165 16.615 -2.861 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.732 14.977 -2.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.227 16.533 -0.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.793 15.842 -1.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.213 17.429 -1.669 1.00 0.00 H new ATOM 976 N LEU A 58 -16.413 10.311 -3.834 1.00 0.00 N ATOM 977 CA LEU A 58 -16.114 9.068 -3.133 1.00 0.00 C ATOM 978 C LEU A 58 -15.545 8.031 -4.094 1.00 0.00 C ATOM 979 O LEU A 58 -14.490 7.449 -3.840 1.00 0.00 O ATOM 980 CB LEU A 58 -17.370 8.516 -2.456 1.00 0.00 C ATOM 981 CG LEU A 58 -17.192 7.168 -1.753 1.00 0.00 C ATOM 982 CD1 LEU A 58 -15.977 7.195 -0.840 1.00 0.00 C ATOM 983 CD2 LEU A 58 -18.444 6.808 -0.967 1.00 0.00 C ATOM 0 H LEU A 58 -17.387 10.607 -3.773 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.368 9.284 -2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -17.720 9.245 -1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -18.154 8.416 -3.207 1.00 0.00 H new ATOM 0 HG LEU A 58 -17.030 6.404 -2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.869 6.227 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -15.084 7.406 -1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.106 7.971 -0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -18.300 5.847 -0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -18.636 7.576 -0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -19.294 6.743 -1.646 1.00 0.00 H new ATOM 995 N THR A 59 -16.247 7.809 -5.200 1.00 0.00 N ATOM 996 CA THR A 59 -15.804 6.847 -6.201 1.00 0.00 C ATOM 997 C THR A 59 -14.420 7.221 -6.725 1.00 0.00 C ATOM 998 O THR A 59 -13.572 6.357 -6.934 1.00 0.00 O ATOM 999 CB THR A 59 -16.807 6.775 -7.356 1.00 0.00 C ATOM 1000 OG1 THR A 59 -16.582 5.619 -8.143 1.00 0.00 O ATOM 1001 CG2 THR A 59 -16.754 7.975 -8.278 1.00 0.00 C ATOM 0 H THR A 59 -17.123 8.281 -5.425 1.00 0.00 H new ATOM 0 HA THR A 59 -15.744 5.865 -5.731 1.00 0.00 H new ATOM 0 HB THR A 59 -17.788 6.748 -6.882 1.00 0.00 H new ATOM 0 HG1 THR A 59 -17.233 5.590 -8.875 1.00 0.00 H new ATOM 0 HG21 THR A 59 -17.491 7.856 -9.072 1.00 0.00 H new ATOM 0 HG22 THR A 59 -16.974 8.879 -7.711 1.00 0.00 H new ATOM 0 HG23 THR A 59 -15.759 8.054 -8.715 1.00 0.00 H new ATOM 1009 N THR A 60 -14.200 8.518 -6.929 1.00 0.00 N ATOM 1010 CA THR A 60 -12.916 9.004 -7.421 1.00 0.00 C ATOM 1011 C THR A 60 -11.801 8.635 -6.446 1.00 0.00 C ATOM 1012 O THR A 60 -10.680 8.333 -6.853 1.00 0.00 O ATOM 1013 CB THR A 60 -12.972 10.522 -7.652 1.00 0.00 C ATOM 1014 OG1 THR A 60 -12.433 10.853 -8.919 1.00 0.00 O ATOM 1015 CG2 THR A 60 -12.225 11.336 -6.614 1.00 0.00 C ATOM 0 H THR A 60 -14.893 9.248 -6.761 1.00 0.00 H new ATOM 0 HA THR A 60 -12.700 8.526 -8.377 1.00 0.00 H new ATOM 0 HB THR A 60 -14.030 10.775 -7.583 1.00 0.00 H new ATOM 0 HG1 THR A 60 -12.478 11.823 -9.050 1.00 0.00 H new ATOM 0 HG21 THR A 60 -12.314 12.396 -6.850 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.650 11.147 -5.628 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.173 11.051 -6.616 1.00 0.00 H new ATOM 1023 N ALA A 61 -12.126 8.646 -5.156 1.00 0.00 N ATOM 1024 CA ALA A 61 -11.159 8.291 -4.128 1.00 0.00 C ATOM 1025 C ALA A 61 -10.886 6.801 -4.181 1.00 0.00 C ATOM 1026 O ALA A 61 -9.745 6.370 -4.355 1.00 0.00 O ATOM 1027 CB ALA A 61 -11.669 8.682 -2.751 1.00 0.00 C ATOM 0 H ALA A 61 -13.049 8.896 -4.801 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.233 8.835 -4.314 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.930 8.407 -1.998 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.838 9.758 -2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.605 8.161 -2.548 1.00 0.00 H new ATOM 1033 N MET A 62 -11.951 6.019 -4.061 1.00 0.00 N ATOM 1034 CA MET A 62 -11.845 4.576 -4.128 1.00 0.00 C ATOM 1035 C MET A 62 -11.249 4.180 -5.471 1.00 0.00 C ATOM 1036 O MET A 62 -10.544 3.178 -5.580 1.00 0.00 O ATOM 1037 CB MET A 62 -13.220 3.943 -3.934 1.00 0.00 C ATOM 1038 CG MET A 62 -13.916 4.393 -2.658 1.00 0.00 C ATOM 1039 SD MET A 62 -15.669 3.977 -2.633 1.00 0.00 S ATOM 1040 CE MET A 62 -15.647 2.406 -3.487 1.00 0.00 C ATOM 0 H MET A 62 -12.899 6.366 -3.916 1.00 0.00 H new ATOM 0 HA MET A 62 -11.192 4.216 -3.333 1.00 0.00 H new ATOM 0 HB2 MET A 62 -13.849 4.189 -4.789 1.00 0.00 H new ATOM 0 HB3 MET A 62 -13.114 2.858 -3.918 1.00 0.00 H new ATOM 0 HG2 MET A 62 -13.426 3.932 -1.801 1.00 0.00 H new ATOM 0 HG3 MET A 62 -13.802 5.471 -2.549 1.00 0.00 H new ATOM 0 HE1 MET A 62 -16.472 1.788 -3.133 1.00 0.00 H new ATOM 0 HE2 MET A 62 -15.753 2.573 -4.559 1.00 0.00 H new ATOM 0 HE3 MET A 62 -14.703 1.898 -3.290 1.00 0.00 H new ATOM 1050 N ASN A 63 -11.506 5.003 -6.490 1.00 0.00 N ATOM 1051 CA ASN A 63 -10.958 4.761 -7.815 1.00 0.00 C ATOM 1052 C ASN A 63 -9.450 4.909 -7.741 1.00 0.00 C ATOM 1053 O ASN A 63 -8.702 4.016 -8.134 1.00 0.00 O ATOM 1054 CB ASN A 63 -11.535 5.748 -8.834 1.00 0.00 C ATOM 1055 CG ASN A 63 -12.843 5.270 -9.432 1.00 0.00 C ATOM 1056 OD1 ASN A 63 -12.967 4.115 -9.843 1.00 0.00 O ATOM 1057 ND2 ASN A 63 -13.829 6.158 -9.484 1.00 0.00 N ATOM 0 H ASN A 63 -12.088 5.838 -6.418 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.224 3.756 -8.141 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -11.691 6.713 -8.351 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -10.810 5.905 -9.633 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -14.733 5.894 -9.876 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.682 7.104 -9.132 1.00 0.00 H new ATOM 1064 N ARG A 64 -9.016 6.035 -7.180 1.00 0.00 N ATOM 1065 CA ARG A 64 -7.598 6.295 -6.991 1.00 0.00 C ATOM 1066 C ARG A 64 -7.021 5.212 -6.092 1.00 0.00 C ATOM 1067 O ARG A 64 -5.875 4.801 -6.244 1.00 0.00 O ATOM 1068 CB ARG A 64 -7.391 7.668 -6.347 1.00 0.00 C ATOM 1069 CG ARG A 64 -6.876 8.725 -7.304 1.00 0.00 C ATOM 1070 CD ARG A 64 -7.971 9.707 -7.692 1.00 0.00 C ATOM 1071 NE ARG A 64 -7.453 10.820 -8.485 1.00 0.00 N ATOM 1072 CZ ARG A 64 -6.804 11.861 -7.969 1.00 0.00 C ATOM 1073 NH1 ARG A 64 -6.588 11.933 -6.662 1.00 0.00 N ATOM 1074 NH2 ARG A 64 -6.370 12.830 -8.762 1.00 0.00 N ATOM 0 H ARG A 64 -9.629 6.780 -6.849 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.093 6.288 -7.957 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.337 8.006 -5.923 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.688 7.568 -5.520 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.049 9.264 -6.841 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.482 8.245 -8.200 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.741 9.185 -8.260 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.446 10.094 -6.791 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.598 10.798 -9.494 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.920 11.189 -6.048 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.090 12.733 -6.271 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.533 12.778 -9.767 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.873 13.628 -8.367 1.00 0.00 H new ATOM 1088 N PHE A 65 -7.852 4.758 -5.157 1.00 0.00 N ATOM 1089 CA PHE A 65 -7.480 3.716 -4.215 1.00 0.00 C ATOM 1090 C PHE A 65 -7.242 2.400 -4.940 1.00 0.00 C ATOM 1091 O PHE A 65 -6.139 1.853 -4.922 1.00 0.00 O ATOM 1092 CB PHE A 65 -8.600 3.554 -3.191 1.00 0.00 C ATOM 1093 CG PHE A 65 -8.197 2.906 -1.899 1.00 0.00 C ATOM 1094 CD1 PHE A 65 -6.868 2.809 -1.510 1.00 0.00 C ATOM 1095 CD2 PHE A 65 -9.172 2.403 -1.063 1.00 0.00 C ATOM 1096 CE1 PHE A 65 -6.529 2.214 -0.309 1.00 0.00 C ATOM 1097 CE2 PHE A 65 -8.844 1.812 0.136 1.00 0.00 C ATOM 1098 CZ PHE A 65 -7.518 1.715 0.516 1.00 0.00 C ATOM 0 H PHE A 65 -8.803 5.106 -5.034 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.555 3.998 -3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.015 4.538 -2.971 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -9.399 2.964 -3.641 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.092 3.202 -2.151 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.210 2.474 -1.354 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.492 2.139 -0.016 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.621 1.425 0.779 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.256 1.250 1.455 1.00 0.00 H new ATOM 1108 N LYS A 66 -8.290 1.905 -5.585 1.00 0.00 N ATOM 1109 CA LYS A 66 -8.219 0.660 -6.330 1.00 0.00 C ATOM 1110 C LYS A 66 -7.087 0.713 -7.352 1.00 0.00 C ATOM 1111 O LYS A 66 -6.375 -0.272 -7.557 1.00 0.00 O ATOM 1112 CB LYS A 66 -9.581 0.400 -6.991 1.00 0.00 C ATOM 1113 CG LYS A 66 -9.523 -0.310 -8.326 1.00 0.00 C ATOM 1114 CD LYS A 66 -9.574 0.677 -9.482 1.00 0.00 C ATOM 1115 CE LYS A 66 -8.276 0.683 -10.274 1.00 0.00 C ATOM 1116 NZ LYS A 66 -8.443 0.071 -11.620 1.00 0.00 N ATOM 0 H LYS A 66 -9.206 2.353 -5.605 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.997 -0.168 -5.657 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.191 -0.192 -6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.089 1.355 -7.127 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.607 -0.898 -8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.356 -1.008 -8.405 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.402 0.421 -10.143 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.770 1.678 -9.098 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.922 1.708 -10.383 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.511 0.139 -9.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.535 0.095 -12.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.756 -0.915 -11.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.155 0.605 -12.158 1.00 0.00 H new ATOM 1130 N ALA A 67 -6.912 1.871 -7.974 1.00 0.00 N ATOM 1131 CA ALA A 67 -5.850 2.052 -8.954 1.00 0.00 C ATOM 1132 C ALA A 67 -4.498 2.163 -8.259 1.00 0.00 C ATOM 1133 O ALA A 67 -3.523 1.529 -8.665 1.00 0.00 O ATOM 1134 CB ALA A 67 -6.113 3.283 -9.811 1.00 0.00 C ATOM 0 H ALA A 67 -7.490 2.697 -7.818 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.833 1.179 -9.607 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.308 3.400 -10.536 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.061 3.165 -10.336 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.159 4.167 -9.174 1.00 0.00 H new ATOM 1140 N ALA A 68 -4.446 2.963 -7.198 1.00 0.00 N ATOM 1141 CA ALA A 68 -3.215 3.143 -6.440 1.00 0.00 C ATOM 1142 C ALA A 68 -2.688 1.801 -5.955 1.00 0.00 C ATOM 1143 O ALA A 68 -1.481 1.609 -5.808 1.00 0.00 O ATOM 1144 CB ALA A 68 -3.445 4.088 -5.266 1.00 0.00 C ATOM 0 H ALA A 68 -5.241 3.495 -6.845 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.466 3.588 -7.095 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.515 4.211 -4.711 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.776 5.057 -5.639 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.208 3.672 -4.608 1.00 0.00 H new ATOM 1150 N LEU A 69 -3.604 0.870 -5.721 1.00 0.00 N ATOM 1151 CA LEU A 69 -3.239 -0.461 -5.268 1.00 0.00 C ATOM 1152 C LEU A 69 -2.484 -1.202 -6.354 1.00 0.00 C ATOM 1153 O LEU A 69 -1.390 -1.715 -6.119 1.00 0.00 O ATOM 1154 CB LEU A 69 -4.481 -1.240 -4.869 1.00 0.00 C ATOM 1155 CG LEU A 69 -4.970 -0.943 -3.460 1.00 0.00 C ATOM 1156 CD1 LEU A 69 -6.471 -1.153 -3.358 1.00 0.00 C ATOM 1157 CD2 LEU A 69 -4.225 -1.806 -2.459 1.00 0.00 C ATOM 0 H LEU A 69 -4.607 1.015 -5.839 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.590 -0.364 -4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.281 -1.016 -5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.271 -2.306 -4.953 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.767 0.103 -3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.801 -0.935 -2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.980 -0.487 -4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.711 -2.187 -3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.582 -1.586 -1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.400 -2.858 -2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.157 -1.594 -2.520 1.00 0.00 H new ATOM 1169 N GLU A 70 -3.062 -1.240 -7.554 1.00 0.00 N ATOM 1170 CA GLU A 70 -2.417 -1.904 -8.679 1.00 0.00 C ATOM 1171 C GLU A 70 -0.958 -1.472 -8.750 1.00 0.00 C ATOM 1172 O GLU A 70 -0.090 -2.237 -9.167 1.00 0.00 O ATOM 1173 CB GLU A 70 -3.150 -1.593 -9.992 1.00 0.00 C ATOM 1174 CG GLU A 70 -2.748 -0.275 -10.640 1.00 0.00 C ATOM 1175 CD GLU A 70 -3.940 0.505 -11.159 1.00 0.00 C ATOM 1176 OE1 GLU A 70 -4.920 -0.132 -11.601 1.00 0.00 O ATOM 1177 OE2 GLU A 70 -3.894 1.753 -11.126 1.00 0.00 O ATOM 0 H GLU A 70 -3.967 -0.822 -7.768 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.460 -2.983 -8.531 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.964 -2.402 -10.698 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.223 -1.577 -9.800 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.208 0.333 -9.914 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.061 -0.473 -11.463 1.00 0.00 H new ATOM 1184 N GLU A 71 -0.695 -0.245 -8.299 1.00 0.00 N ATOM 1185 CA GLU A 71 0.659 0.273 -8.270 1.00 0.00 C ATOM 1186 C GLU A 71 1.485 -0.546 -7.285 1.00 0.00 C ATOM 1187 O GLU A 71 2.474 -1.172 -7.663 1.00 0.00 O ATOM 1188 CB GLU A 71 0.652 1.746 -7.872 1.00 0.00 C ATOM 1189 CG GLU A 71 1.935 2.476 -8.219 1.00 0.00 C ATOM 1190 CD GLU A 71 2.390 2.226 -9.644 1.00 0.00 C ATOM 1191 OE1 GLU A 71 1.580 2.435 -10.572 1.00 0.00 O ATOM 1192 OE2 GLU A 71 3.556 1.823 -9.833 1.00 0.00 O ATOM 0 H GLU A 71 -1.404 0.401 -7.952 1.00 0.00 H new ATOM 0 HA GLU A 71 1.103 0.194 -9.262 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.183 2.243 -8.365 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.479 1.823 -6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.789 3.546 -8.072 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.722 2.164 -7.532 1.00 0.00 H new ATOM 1199 N ALA A 72 1.049 -0.571 -6.023 1.00 0.00 N ATOM 1200 CA ALA A 72 1.728 -1.351 -5.000 1.00 0.00 C ATOM 1201 C ALA A 72 1.834 -2.805 -5.448 1.00 0.00 C ATOM 1202 O ALA A 72 2.915 -3.393 -5.440 1.00 0.00 O ATOM 1203 CB ALA A 72 0.982 -1.257 -3.675 1.00 0.00 C ATOM 0 H ALA A 72 0.231 -0.060 -5.691 1.00 0.00 H new ATOM 0 HA ALA A 72 2.731 -0.949 -4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.504 -1.846 -2.921 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.938 -0.216 -3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.030 -1.641 -3.799 1.00 0.00 H new ATOM 1209 N ASN A 73 0.699 -3.373 -5.858 1.00 0.00 N ATOM 1210 CA ASN A 73 0.665 -4.754 -6.331 1.00 0.00 C ATOM 1211 C ASN A 73 1.626 -4.933 -7.501 1.00 0.00 C ATOM 1212 O ASN A 73 2.330 -5.938 -7.594 1.00 0.00 O ATOM 1213 CB ASN A 73 -0.750 -5.141 -6.764 1.00 0.00 C ATOM 1214 CG ASN A 73 -1.022 -6.623 -6.586 1.00 0.00 C ATOM 1215 OD1 ASN A 73 -0.533 -7.246 -5.644 1.00 0.00 O ATOM 1216 ND2 ASN A 73 -1.806 -7.194 -7.493 1.00 0.00 N ATOM 0 H ASN A 73 -0.204 -2.899 -5.872 1.00 0.00 H new ATOM 0 HA ASN A 73 0.971 -5.403 -5.511 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.474 -4.569 -6.184 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.894 -4.871 -7.810 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.025 -8.188 -7.425 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.190 -6.639 -8.258 1.00 0.00 H new ATOM 1223 N GLY A 74 1.651 -3.943 -8.387 1.00 0.00 N ATOM 1224 CA GLY A 74 2.533 -3.999 -9.536 1.00 0.00 C ATOM 1225 C GLY A 74 3.985 -3.870 -9.136 1.00 0.00 C ATOM 1226 O GLY A 74 4.841 -4.610 -9.621 1.00 0.00 O ATOM 0 H GLY A 74 1.076 -3.103 -8.329 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.384 -4.941 -10.063 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.275 -3.200 -10.231 1.00 0.00 H new ATOM 1230 N GLU A 75 4.263 -2.932 -8.235 1.00 0.00 N ATOM 1231 CA GLU A 75 5.618 -2.716 -7.754 1.00 0.00 C ATOM 1232 C GLU A 75 6.115 -3.960 -7.031 1.00 0.00 C ATOM 1233 O GLU A 75 7.278 -4.340 -7.153 1.00 0.00 O ATOM 1234 CB GLU A 75 5.666 -1.500 -6.822 1.00 0.00 C ATOM 1235 CG GLU A 75 5.408 -0.180 -7.531 1.00 0.00 C ATOM 1236 CD GLU A 75 6.610 0.302 -8.319 1.00 0.00 C ATOM 1237 OE1 GLU A 75 6.971 -0.359 -9.315 1.00 0.00 O ATOM 1238 OE2 GLU A 75 7.191 1.340 -7.938 1.00 0.00 O ATOM 0 H GLU A 75 3.566 -2.311 -7.825 1.00 0.00 H new ATOM 0 HA GLU A 75 6.269 -2.521 -8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.927 -1.629 -6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.643 -1.460 -6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.558 -0.293 -8.204 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.133 0.576 -6.795 1.00 0.00 H new ATOM 1245 N ILE A 76 5.214 -4.599 -6.293 1.00 0.00 N ATOM 1246 CA ILE A 76 5.540 -5.813 -5.564 1.00 0.00 C ATOM 1247 C ILE A 76 5.657 -6.992 -6.524 1.00 0.00 C ATOM 1248 O ILE A 76 6.461 -7.899 -6.320 1.00 0.00 O ATOM 1249 CB ILE A 76 4.468 -6.126 -4.496 1.00 0.00 C ATOM 1250 CG1 ILE A 76 4.398 -4.998 -3.465 1.00 0.00 C ATOM 1251 CG2 ILE A 76 4.761 -7.452 -3.809 1.00 0.00 C ATOM 1252 CD1 ILE A 76 3.132 -5.015 -2.637 1.00 0.00 C ATOM 0 H ILE A 76 4.247 -4.292 -6.185 1.00 0.00 H new ATOM 0 HA ILE A 76 6.495 -5.654 -5.064 1.00 0.00 H new ATOM 0 HB ILE A 76 3.502 -6.205 -4.995 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.259 -5.070 -2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.473 -4.040 -3.980 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.994 -7.652 -3.061 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.764 -8.252 -4.549 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.736 -7.403 -3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.150 -4.188 -1.927 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.267 -4.912 -3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.065 -5.958 -2.094 1.00 0.00 H new ATOM 1264 N GLU A 77 4.847 -6.966 -7.578 1.00 0.00 N ATOM 1265 CA GLU A 77 4.856 -8.027 -8.577 1.00 0.00 C ATOM 1266 C GLU A 77 6.090 -7.922 -9.469 1.00 0.00 C ATOM 1267 O GLU A 77 6.706 -8.930 -9.813 1.00 0.00 O ATOM 1268 CB GLU A 77 3.588 -7.962 -9.431 1.00 0.00 C ATOM 1269 CG GLU A 77 3.543 -9.004 -10.537 1.00 0.00 C ATOM 1270 CD GLU A 77 2.278 -8.919 -11.368 1.00 0.00 C ATOM 1271 OE1 GLU A 77 2.062 -7.872 -12.015 1.00 0.00 O ATOM 1272 OE2 GLU A 77 1.505 -9.899 -11.374 1.00 0.00 O ATOM 0 H GLU A 77 4.176 -6.220 -7.762 1.00 0.00 H new ATOM 0 HA GLU A 77 4.886 -8.984 -8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.719 -8.092 -8.786 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.510 -6.970 -9.875 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.409 -8.876 -11.186 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.618 -9.999 -10.097 1.00 0.00 H new ATOM 1279 N LYS A 78 6.448 -6.695 -9.837 1.00 0.00 N ATOM 1280 CA LYS A 78 7.611 -6.464 -10.686 1.00 0.00 C ATOM 1281 C LYS A 78 8.908 -6.641 -9.900 1.00 0.00 C ATOM 1282 O LYS A 78 9.979 -6.813 -10.483 1.00 0.00 O ATOM 1283 CB LYS A 78 7.553 -5.058 -11.290 1.00 0.00 C ATOM 1284 CG LYS A 78 7.461 -5.052 -12.807 1.00 0.00 C ATOM 1285 CD LYS A 78 6.045 -4.755 -13.279 1.00 0.00 C ATOM 1286 CE LYS A 78 5.082 -5.862 -12.886 1.00 0.00 C ATOM 1287 NZ LYS A 78 4.715 -6.719 -14.048 1.00 0.00 N ATOM 0 H LYS A 78 5.951 -5.848 -9.561 1.00 0.00 H new ATOM 0 HA LYS A 78 7.595 -7.200 -11.490 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.692 -4.530 -10.880 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.441 -4.504 -10.986 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.144 -4.305 -13.211 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.780 -6.019 -13.196 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.709 -3.810 -12.851 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.039 -4.634 -14.362 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.535 -6.478 -12.109 1.00 0.00 H new ATOM 0 HE3 LYS A 78 4.180 -5.424 -12.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.057 -7.462 -13.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.259 -6.136 -14.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.572 -7.158 -14.440 1.00 0.00 H new ATOM 1301 N PHE A 79 8.807 -6.592 -8.575 1.00 0.00 N ATOM 1302 CA PHE A 79 9.973 -6.742 -7.712 1.00 0.00 C ATOM 1303 C PHE A 79 10.062 -8.152 -7.130 1.00 0.00 C ATOM 1304 O PHE A 79 10.813 -8.392 -6.185 1.00 0.00 O ATOM 1305 CB PHE A 79 9.914 -5.724 -6.574 1.00 0.00 C ATOM 1306 CG PHE A 79 10.549 -4.407 -6.910 1.00 0.00 C ATOM 1307 CD1 PHE A 79 11.794 -4.354 -7.519 1.00 0.00 C ATOM 1308 CD2 PHE A 79 9.905 -3.219 -6.608 1.00 0.00 C ATOM 1309 CE1 PHE A 79 12.381 -3.141 -7.820 1.00 0.00 C ATOM 1310 CE2 PHE A 79 10.489 -2.004 -6.905 1.00 0.00 C ATOM 1311 CZ PHE A 79 11.729 -1.965 -7.512 1.00 0.00 C ATOM 0 H PHE A 79 7.929 -6.449 -8.076 1.00 0.00 H new ATOM 0 HA PHE A 79 10.861 -6.567 -8.320 1.00 0.00 H new ATOM 0 HB2 PHE A 79 8.872 -5.556 -6.302 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.409 -6.143 -5.698 1.00 0.00 H new ATOM 0 HD1 PHE A 79 12.310 -5.272 -7.760 1.00 0.00 H new ATOM 0 HD2 PHE A 79 8.935 -3.243 -6.135 1.00 0.00 H new ATOM 0 HE1 PHE A 79 13.350 -3.113 -8.296 1.00 0.00 H new ATOM 0 HE2 PHE A 79 9.977 -1.085 -6.663 1.00 0.00 H new ATOM 0 HZ PHE A 79 12.187 -1.015 -7.745 1.00 0.00 H new ATOM 1321 N SER A 80 9.295 -9.080 -7.692 1.00 0.00 N ATOM 1322 CA SER A 80 9.298 -10.456 -7.212 1.00 0.00 C ATOM 1323 C SER A 80 10.516 -11.215 -7.726 1.00 0.00 C ATOM 1324 O SER A 80 11.038 -12.101 -7.050 1.00 0.00 O ATOM 1325 CB SER A 80 8.016 -11.173 -7.639 1.00 0.00 C ATOM 1326 OG SER A 80 7.551 -12.041 -6.619 1.00 0.00 O ATOM 0 H SER A 80 8.667 -8.905 -8.476 1.00 0.00 H new ATOM 0 HA SER A 80 9.345 -10.430 -6.123 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.246 -10.438 -7.874 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.201 -11.743 -8.549 1.00 0.00 H new ATOM 0 HG SER A 80 7.471 -11.544 -5.778 1.00 0.00 H new ATOM 1332 N ASN A 81 10.965 -10.861 -8.924 1.00 0.00 N ATOM 1333 CA ASN A 81 12.122 -11.512 -9.524 1.00 0.00 C ATOM 1334 C ASN A 81 13.416 -10.864 -9.040 1.00 0.00 C ATOM 1335 O ASN A 81 13.580 -9.647 -9.123 1.00 0.00 O ATOM 1336 CB ASN A 81 12.040 -11.442 -11.050 1.00 0.00 C ATOM 1337 CG ASN A 81 11.708 -12.785 -11.672 1.00 0.00 C ATOM 1338 OD1 ASN A 81 10.540 -13.120 -11.866 1.00 0.00 O ATOM 1339 ND2 ASN A 81 12.739 -13.560 -11.988 1.00 0.00 N ATOM 0 H ASN A 81 10.547 -10.129 -9.498 1.00 0.00 H new ATOM 0 HA ASN A 81 12.122 -12.558 -9.218 1.00 0.00 H new ATOM 0 HB2 ASN A 81 11.282 -10.714 -11.338 1.00 0.00 H new ATOM 0 HB3 ASN A 81 12.991 -11.086 -11.447 1.00 0.00 H new ATOM 0 HD21 ASN A 81 12.579 -14.475 -12.410 1.00 0.00 H new ATOM 0 HD22 ASN A 81 13.691 -13.241 -11.809 1.00 0.00 H new ATOM 1346 N ARG A 82 14.334 -11.685 -8.537 1.00 0.00 N ATOM 1347 CA ARG A 82 15.616 -11.191 -8.043 1.00 0.00 C ATOM 1348 C ARG A 82 16.257 -10.252 -9.061 1.00 0.00 C ATOM 1349 O ARG A 82 16.743 -9.177 -8.709 1.00 0.00 O ATOM 1350 CB ARG A 82 16.555 -12.363 -7.741 1.00 0.00 C ATOM 1351 CG ARG A 82 17.956 -11.940 -7.325 1.00 0.00 C ATOM 1352 CD ARG A 82 19.003 -12.932 -7.805 1.00 0.00 C ATOM 1353 NE ARG A 82 20.116 -13.052 -6.866 1.00 0.00 N ATOM 1354 CZ ARG A 82 21.208 -13.775 -7.100 1.00 0.00 C ATOM 1355 NH1 ARG A 82 21.338 -14.447 -8.238 1.00 0.00 N ATOM 1356 NH2 ARG A 82 22.174 -13.829 -6.193 1.00 0.00 N ATOM 0 H ARG A 82 14.214 -12.695 -8.461 1.00 0.00 H new ATOM 0 HA ARG A 82 15.440 -10.635 -7.122 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.119 -12.970 -6.948 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.625 -12.997 -8.625 1.00 0.00 H new ATOM 0 HG2 ARG A 82 18.175 -10.953 -7.732 1.00 0.00 H new ATOM 0 HG3 ARG A 82 18.004 -11.855 -6.239 1.00 0.00 H new ATOM 0 HD2 ARG A 82 18.540 -13.909 -7.944 1.00 0.00 H new ATOM 0 HD3 ARG A 82 19.382 -12.617 -8.777 1.00 0.00 H new ATOM 0 HE ARG A 82 20.052 -12.552 -5.979 1.00 0.00 H new ATOM 0 HH11 ARG A 82 20.598 -14.411 -8.939 1.00 0.00 H new ATOM 0 HH12 ARG A 82 22.178 -14.999 -8.411 1.00 0.00 H new ATOM 0 HH21 ARG A 82 22.080 -13.316 -5.316 1.00 0.00 H new ATOM 0 HH22 ARG A 82 23.011 -14.383 -6.372 1.00 0.00 H new ATOM 1370 N SER A 83 16.245 -10.663 -10.325 1.00 0.00 N ATOM 1371 CA SER A 83 16.816 -9.854 -11.396 1.00 0.00 C ATOM 1372 C SER A 83 16.240 -8.442 -11.365 1.00 0.00 C ATOM 1373 O SER A 83 16.894 -7.483 -11.776 1.00 0.00 O ATOM 1374 CB SER A 83 16.539 -10.504 -12.755 1.00 0.00 C ATOM 1375 OG SER A 83 17.686 -11.179 -13.241 1.00 0.00 O ATOM 0 H SER A 83 15.847 -11.550 -10.632 1.00 0.00 H new ATOM 0 HA SER A 83 17.894 -9.794 -11.245 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.711 -11.207 -12.663 1.00 0.00 H new ATOM 0 HB3 SER A 83 16.232 -9.741 -13.470 1.00 0.00 H new ATOM 0 HG SER A 83 17.483 -11.587 -14.109 1.00 0.00 H new ATOM 1381 N ASN A 84 15.013 -8.323 -10.869 1.00 0.00 N ATOM 1382 CA ASN A 84 14.345 -7.031 -10.774 1.00 0.00 C ATOM 1383 C ASN A 84 14.687 -6.336 -9.459 1.00 0.00 C ATOM 1384 O ASN A 84 14.593 -5.115 -9.352 1.00 0.00 O ATOM 1385 CB ASN A 84 12.830 -7.205 -10.891 1.00 0.00 C ATOM 1386 CG ASN A 84 12.396 -7.571 -12.297 1.00 0.00 C ATOM 1387 OD1 ASN A 84 12.954 -7.080 -13.279 1.00 0.00 O ATOM 1388 ND2 ASN A 84 11.395 -8.436 -12.401 1.00 0.00 N ATOM 0 H ASN A 84 14.460 -9.108 -10.526 1.00 0.00 H new ATOM 0 HA ASN A 84 14.697 -6.409 -11.597 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.502 -7.981 -10.199 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.337 -6.281 -10.591 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.059 -8.719 -13.322 1.00 0.00 H new ATOM 0 HD22 ASN A 84 10.962 -8.818 -11.560 1.00 0.00 H new ATOM 1395 N ILE A 85 15.077 -7.122 -8.457 1.00 0.00 N ATOM 1396 CA ILE A 85 15.428 -6.579 -7.148 1.00 0.00 C ATOM 1397 C ILE A 85 16.909 -6.207 -7.083 1.00 0.00 C ATOM 1398 O ILE A 85 17.261 -5.036 -6.952 1.00 0.00 O ATOM 1399 CB ILE A 85 15.112 -7.588 -6.021 1.00 0.00 C ATOM 1400 CG1 ILE A 85 13.602 -7.837 -5.932 1.00 0.00 C ATOM 1401 CG2 ILE A 85 15.662 -7.102 -4.683 1.00 0.00 C ATOM 1402 CD1 ILE A 85 12.825 -6.731 -5.246 1.00 0.00 C ATOM 0 H ILE A 85 15.158 -8.136 -8.527 1.00 0.00 H new ATOM 0 HA ILE A 85 14.826 -5.682 -7.005 1.00 0.00 H new ATOM 0 HB ILE A 85 15.602 -8.532 -6.261 1.00 0.00 H new ATOM 0 HG12 ILE A 85 13.208 -7.970 -6.939 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.431 -8.771 -5.397 1.00 0.00 H new ATOM 0 HG21 ILE A 85 15.426 -7.830 -3.907 1.00 0.00 H new ATOM 0 HG22 ILE A 85 16.743 -6.985 -4.755 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.210 -6.143 -4.430 1.00 0.00 H new ATOM 0 HD11 ILE A 85 11.766 -6.988 -5.227 1.00 0.00 H new ATOM 0 HD12 ILE A 85 13.188 -6.610 -4.225 1.00 0.00 H new ATOM 0 HD13 ILE A 85 12.962 -5.798 -5.792 1.00 0.00 H new ATOM 1414 N CYS A 86 17.768 -7.221 -7.167 1.00 0.00 N ATOM 1415 CA CYS A 86 19.215 -7.021 -7.105 1.00 0.00 C ATOM 1416 C CYS A 86 19.667 -5.844 -7.969 1.00 0.00 C ATOM 1417 O CYS A 86 20.388 -4.963 -7.502 1.00 0.00 O ATOM 1418 CB CYS A 86 19.939 -8.295 -7.547 1.00 0.00 C ATOM 1419 SG CYS A 86 21.323 -8.763 -6.482 1.00 0.00 S ATOM 0 H CYS A 86 17.485 -8.195 -7.279 1.00 0.00 H new ATOM 0 HA CYS A 86 19.470 -6.791 -6.070 1.00 0.00 H new ATOM 0 HB2 CYS A 86 19.223 -9.116 -7.576 1.00 0.00 H new ATOM 0 HB3 CYS A 86 20.307 -8.157 -8.564 1.00 0.00 H new ATOM 0 HG CYS A 86 21.870 -9.852 -6.935 1.00 0.00 H new ATOM 1425 N ARG A 87 19.248 -5.841 -9.229 1.00 0.00 N ATOM 1426 CA ARG A 87 19.622 -4.779 -10.154 1.00 0.00 C ATOM 1427 C ARG A 87 19.114 -3.419 -9.682 1.00 0.00 C ATOM 1428 O ARG A 87 19.821 -2.417 -9.783 1.00 0.00 O ATOM 1429 CB ARG A 87 19.084 -5.079 -11.554 1.00 0.00 C ATOM 1430 CG ARG A 87 20.142 -5.610 -12.509 1.00 0.00 C ATOM 1431 CD ARG A 87 20.641 -4.527 -13.453 1.00 0.00 C ATOM 1432 NE ARG A 87 20.558 -4.940 -14.852 1.00 0.00 N ATOM 1433 CZ ARG A 87 21.009 -4.209 -15.869 1.00 0.00 C ATOM 1434 NH1 ARG A 87 21.577 -3.031 -15.647 1.00 0.00 N ATOM 1435 NH2 ARG A 87 20.892 -4.660 -17.111 1.00 0.00 N ATOM 0 H ARG A 87 18.650 -6.562 -9.633 1.00 0.00 H new ATOM 0 HA ARG A 87 20.711 -4.740 -10.187 1.00 0.00 H new ATOM 0 HB2 ARG A 87 18.277 -5.808 -11.476 1.00 0.00 H new ATOM 0 HB3 ARG A 87 18.653 -4.169 -11.972 1.00 0.00 H new ATOM 0 HG2 ARG A 87 20.980 -6.010 -11.938 1.00 0.00 H new ATOM 0 HG3 ARG A 87 19.728 -6.435 -13.088 1.00 0.00 H new ATOM 0 HD2 ARG A 87 20.054 -3.620 -13.307 1.00 0.00 H new ATOM 0 HD3 ARG A 87 21.674 -4.281 -13.208 1.00 0.00 H new ATOM 0 HE ARG A 87 20.129 -5.841 -15.062 1.00 0.00 H new ATOM 0 HH11 ARG A 87 21.670 -2.681 -14.693 1.00 0.00 H new ATOM 0 HH12 ARG A 87 21.921 -2.475 -16.430 1.00 0.00 H new ATOM 0 HH21 ARG A 87 20.457 -5.566 -17.286 1.00 0.00 H new ATOM 0 HH22 ARG A 87 21.237 -4.101 -17.891 1.00 0.00 H new ATOM 1449 N PHE A 88 17.885 -3.384 -9.176 1.00 0.00 N ATOM 1450 CA PHE A 88 17.296 -2.137 -8.705 1.00 0.00 C ATOM 1451 C PHE A 88 18.012 -1.622 -7.457 1.00 0.00 C ATOM 1452 O PHE A 88 18.174 -0.416 -7.284 1.00 0.00 O ATOM 1453 CB PHE A 88 15.795 -2.328 -8.433 1.00 0.00 C ATOM 1454 CG PHE A 88 15.362 -1.912 -7.055 1.00 0.00 C ATOM 1455 CD1 PHE A 88 15.382 -0.578 -6.680 1.00 0.00 C ATOM 1456 CD2 PHE A 88 14.951 -2.858 -6.132 1.00 0.00 C ATOM 1457 CE1 PHE A 88 15.001 -0.195 -5.411 1.00 0.00 C ATOM 1458 CE2 PHE A 88 14.567 -2.484 -4.865 1.00 0.00 C ATOM 1459 CZ PHE A 88 14.594 -1.149 -4.501 1.00 0.00 C ATOM 0 H PHE A 88 17.281 -4.201 -9.082 1.00 0.00 H new ATOM 0 HA PHE A 88 17.417 -1.387 -9.487 1.00 0.00 H new ATOM 0 HB2 PHE A 88 15.228 -1.757 -9.168 1.00 0.00 H new ATOM 0 HB3 PHE A 88 15.541 -3.378 -8.580 1.00 0.00 H new ATOM 0 HD1 PHE A 88 15.700 0.171 -7.390 1.00 0.00 H new ATOM 0 HD2 PHE A 88 14.932 -3.902 -6.410 1.00 0.00 H new ATOM 0 HE1 PHE A 88 15.021 0.848 -5.131 1.00 0.00 H new ATOM 0 HE2 PHE A 88 14.245 -3.231 -4.155 1.00 0.00 H new ATOM 0 HZ PHE A 88 14.297 -0.854 -3.505 1.00 0.00 H new ATOM 1469 N LEU A 89 18.426 -2.534 -6.582 1.00 0.00 N ATOM 1470 CA LEU A 89 19.109 -2.143 -5.353 1.00 0.00 C ATOM 1471 C LEU A 89 20.426 -1.434 -5.661 1.00 0.00 C ATOM 1472 O LEU A 89 20.605 -0.265 -5.319 1.00 0.00 O ATOM 1473 CB LEU A 89 19.364 -3.362 -4.459 1.00 0.00 C ATOM 1474 CG LEU A 89 18.116 -4.140 -4.019 1.00 0.00 C ATOM 1475 CD1 LEU A 89 18.480 -5.153 -2.945 1.00 0.00 C ATOM 1476 CD2 LEU A 89 17.030 -3.200 -3.509 1.00 0.00 C ATOM 0 H LEU A 89 18.302 -3.540 -6.699 1.00 0.00 H new ATOM 0 HA LEU A 89 18.459 -1.449 -4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 89 20.027 -4.046 -4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 89 19.895 -3.030 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 89 17.724 -4.667 -4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 89 17.586 -5.698 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 89 19.216 -5.853 -3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 89 18.899 -4.634 -2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.159 -3.781 -3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 89 17.407 -2.638 -2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 89 16.746 -2.508 -4.302 1.00 0.00 H new ATOM 1488 N THR A 90 21.346 -2.146 -6.306 1.00 0.00 N ATOM 1489 CA THR A 90 22.643 -1.576 -6.657 1.00 0.00 C ATOM 1490 C THR A 90 22.476 -0.375 -7.583 1.00 0.00 C ATOM 1491 O THR A 90 23.087 0.674 -7.377 1.00 0.00 O ATOM 1492 CB THR A 90 23.526 -2.632 -7.329 1.00 0.00 C ATOM 1493 OG1 THR A 90 23.760 -3.722 -6.456 1.00 0.00 O ATOM 1494 CG2 THR A 90 24.873 -2.100 -7.767 1.00 0.00 C ATOM 0 H THR A 90 21.218 -3.116 -6.595 1.00 0.00 H new ATOM 0 HA THR A 90 23.124 -1.242 -5.738 1.00 0.00 H new ATOM 0 HB THR A 90 22.972 -2.945 -8.214 1.00 0.00 H new ATOM 0 HG1 THR A 90 24.324 -4.386 -6.905 1.00 0.00 H new ATOM 0 HG21 THR A 90 25.446 -2.901 -8.235 1.00 0.00 H new ATOM 0 HG22 THR A 90 24.729 -1.291 -8.483 1.00 0.00 H new ATOM 0 HG23 THR A 90 25.416 -1.725 -6.899 1.00 0.00 H new ATOM 1502 N ALA A 91 21.650 -0.543 -8.609 1.00 0.00 N ATOM 1503 CA ALA A 91 21.402 0.518 -9.579 1.00 0.00 C ATOM 1504 C ALA A 91 20.599 1.662 -8.967 1.00 0.00 C ATOM 1505 O ALA A 91 20.668 2.799 -9.434 1.00 0.00 O ATOM 1506 CB ALA A 91 20.672 -0.045 -10.787 1.00 0.00 C ATOM 0 H ALA A 91 21.139 -1.407 -8.791 1.00 0.00 H new ATOM 0 HA ALA A 91 22.366 0.919 -9.891 1.00 0.00 H new ATOM 0 HB1 ALA A 91 20.490 0.753 -11.507 1.00 0.00 H new ATOM 0 HB2 ALA A 91 21.281 -0.821 -11.251 1.00 0.00 H new ATOM 0 HB3 ALA A 91 19.720 -0.472 -10.471 1.00 0.00 H new ATOM 1512 N SER A 92 19.829 1.355 -7.929 1.00 0.00 N ATOM 1513 CA SER A 92 19.004 2.359 -7.266 1.00 0.00 C ATOM 1514 C SER A 92 17.949 2.899 -8.225 1.00 0.00 C ATOM 1515 O SER A 92 17.937 4.086 -8.551 1.00 0.00 O ATOM 1516 CB SER A 92 19.875 3.505 -6.742 1.00 0.00 C ATOM 1517 OG SER A 92 20.228 3.297 -5.385 1.00 0.00 O ATOM 0 H SER A 92 19.759 0.420 -7.528 1.00 0.00 H new ATOM 0 HA SER A 92 18.501 1.888 -6.422 1.00 0.00 H new ATOM 0 HB2 SER A 92 20.778 3.586 -7.348 1.00 0.00 H new ATOM 0 HB3 SER A 92 19.338 4.449 -6.841 1.00 0.00 H new ATOM 0 HG SER A 92 20.785 4.041 -5.074 1.00 0.00 H new ATOM 1523 N GLN A 93 17.066 2.014 -8.683 1.00 0.00 N ATOM 1524 CA GLN A 93 16.010 2.394 -9.616 1.00 0.00 C ATOM 1525 C GLN A 93 15.186 3.559 -9.075 1.00 0.00 C ATOM 1526 O GLN A 93 15.014 4.573 -9.750 1.00 0.00 O ATOM 1527 CB GLN A 93 15.099 1.199 -9.898 1.00 0.00 C ATOM 1528 CG GLN A 93 14.142 1.421 -11.058 1.00 0.00 C ATOM 1529 CD GLN A 93 13.830 0.143 -11.809 1.00 0.00 C ATOM 1530 OE1 GLN A 93 12.922 -0.602 -11.440 1.00 0.00 O ATOM 1531 NE2 GLN A 93 14.584 -0.119 -12.870 1.00 0.00 N ATOM 0 H GLN A 93 17.062 1.028 -8.422 1.00 0.00 H new ATOM 0 HA GLN A 93 16.483 2.714 -10.545 1.00 0.00 H new ATOM 0 HB2 GLN A 93 15.715 0.325 -10.109 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.523 0.973 -9.001 1.00 0.00 H new ATOM 0 HG2 GLN A 93 13.215 1.852 -10.681 1.00 0.00 H new ATOM 0 HG3 GLN A 93 14.574 2.147 -11.747 1.00 0.00 H new ATOM 0 HE21 GLN A 93 15.326 0.527 -13.140 1.00 0.00 H new ATOM 0 HE22 GLN A 93 14.421 -0.966 -13.415 1.00 0.00 H new ATOM 1540 N ASP A 94 14.675 3.410 -7.856 1.00 0.00 N ATOM 1541 CA ASP A 94 13.871 4.456 -7.240 1.00 0.00 C ATOM 1542 C ASP A 94 14.263 4.677 -5.780 1.00 0.00 C ATOM 1543 O ASP A 94 13.603 5.430 -5.063 1.00 0.00 O ATOM 1544 CB ASP A 94 12.390 4.092 -7.330 1.00 0.00 C ATOM 1545 CG ASP A 94 11.709 4.731 -8.525 1.00 0.00 C ATOM 1546 OD1 ASP A 94 12.283 4.681 -9.633 1.00 0.00 O ATOM 1547 OD2 ASP A 94 10.600 5.281 -8.353 1.00 0.00 O ATOM 0 H ASP A 94 14.804 2.579 -7.279 1.00 0.00 H new ATOM 0 HA ASP A 94 14.055 5.384 -7.781 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.288 3.009 -7.394 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.885 4.406 -6.417 1.00 0.00 H new ATOM 1552 N LYS A 95 15.332 4.010 -5.337 1.00 0.00 N ATOM 1553 CA LYS A 95 15.805 4.128 -3.957 1.00 0.00 C ATOM 1554 C LYS A 95 14.909 3.346 -2.993 1.00 0.00 C ATOM 1555 O LYS A 95 15.334 2.989 -1.896 1.00 0.00 O ATOM 1556 CB LYS A 95 15.883 5.601 -3.532 1.00 0.00 C ATOM 1557 CG LYS A 95 17.297 6.073 -3.233 1.00 0.00 C ATOM 1558 CD LYS A 95 17.562 7.450 -3.819 1.00 0.00 C ATOM 1559 CE LYS A 95 18.403 7.368 -5.085 1.00 0.00 C ATOM 1560 NZ LYS A 95 17.846 8.210 -6.181 1.00 0.00 N ATOM 0 H LYS A 95 15.887 3.381 -5.917 1.00 0.00 H new ATOM 0 HA LYS A 95 16.806 3.698 -3.915 1.00 0.00 H new ATOM 0 HB2 LYS A 95 15.461 6.222 -4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 95 15.265 5.748 -2.647 1.00 0.00 H new ATOM 0 HG2 LYS A 95 17.452 6.100 -2.154 1.00 0.00 H new ATOM 0 HG3 LYS A 95 18.013 5.359 -3.640 1.00 0.00 H new ATOM 0 HD2 LYS A 95 16.614 7.940 -4.042 1.00 0.00 H new ATOM 0 HD3 LYS A 95 18.074 8.068 -3.081 1.00 0.00 H new ATOM 0 HE2 LYS A 95 19.422 7.687 -4.865 1.00 0.00 H new ATOM 0 HE3 LYS A 95 18.458 6.331 -5.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 18.449 8.125 -7.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 16.883 7.890 -6.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 17.817 9.203 -5.875 1.00 0.00 H new ATOM 1574 N ILE A 96 13.670 3.083 -3.408 1.00 0.00 N ATOM 1575 CA ILE A 96 12.720 2.346 -2.584 1.00 0.00 C ATOM 1576 C ILE A 96 11.692 1.636 -3.460 1.00 0.00 C ATOM 1577 O ILE A 96 11.014 2.261 -4.276 1.00 0.00 O ATOM 1578 CB ILE A 96 11.992 3.281 -1.602 1.00 0.00 C ATOM 1579 CG1 ILE A 96 12.990 4.209 -0.903 1.00 0.00 C ATOM 1580 CG2 ILE A 96 11.184 2.478 -0.588 1.00 0.00 C ATOM 1581 CD1 ILE A 96 12.375 5.049 0.191 1.00 0.00 C ATOM 0 H ILE A 96 13.302 3.372 -4.314 1.00 0.00 H new ATOM 0 HA ILE A 96 13.284 1.608 -2.013 1.00 0.00 H new ATOM 0 HB ILE A 96 11.295 3.900 -2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 96 13.795 3.609 -0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 96 13.441 4.868 -1.645 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.678 3.160 0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.444 1.872 -1.110 1.00 0.00 H new ATOM 0 HG23 ILE A 96 11.852 1.827 -0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 96 13.142 5.680 0.640 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.589 5.676 -0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.949 4.398 0.954 1.00 0.00 H new ATOM 1593 N LEU A 97 11.600 0.321 -3.297 1.00 0.00 N ATOM 1594 CA LEU A 97 10.684 -0.508 -4.072 1.00 0.00 C ATOM 1595 C LEU A 97 9.292 0.115 -4.236 1.00 0.00 C ATOM 1596 O LEU A 97 8.816 0.281 -5.359 1.00 0.00 O ATOM 1597 CB LEU A 97 10.581 -1.885 -3.418 1.00 0.00 C ATOM 1598 CG LEU A 97 11.921 -2.608 -3.273 1.00 0.00 C ATOM 1599 CD1 LEU A 97 12.348 -2.666 -1.819 1.00 0.00 C ATOM 1600 CD2 LEU A 97 11.873 -4.009 -3.871 1.00 0.00 C ATOM 0 H LEU A 97 12.159 -0.201 -2.623 1.00 0.00 H new ATOM 0 HA LEU A 97 11.093 -0.595 -5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.131 -1.774 -2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.907 -2.506 -4.008 1.00 0.00 H new ATOM 0 HG LEU A 97 12.661 -2.035 -3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 97 13.303 -3.185 -1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 97 12.452 -1.653 -1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 97 11.596 -3.202 -1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 97 12.843 -4.490 -3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 97 11.110 -4.596 -3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.632 -3.944 -4.932 1.00 0.00 H new ATOM 1612 N PHE A 98 8.631 0.442 -3.128 1.00 0.00 N ATOM 1613 CA PHE A 98 7.286 1.020 -3.195 1.00 0.00 C ATOM 1614 C PHE A 98 7.197 2.363 -2.469 1.00 0.00 C ATOM 1615 O PHE A 98 6.271 2.596 -1.691 1.00 0.00 O ATOM 1616 CB PHE A 98 6.264 0.045 -2.611 1.00 0.00 C ATOM 1617 CG PHE A 98 6.356 -0.087 -1.121 1.00 0.00 C ATOM 1618 CD1 PHE A 98 7.448 -0.704 -0.537 1.00 0.00 C ATOM 1619 CD2 PHE A 98 5.356 0.413 -0.305 1.00 0.00 C ATOM 1620 CE1 PHE A 98 7.542 -0.822 0.833 1.00 0.00 C ATOM 1621 CE2 PHE A 98 5.442 0.298 1.068 1.00 0.00 C ATOM 1622 CZ PHE A 98 6.537 -0.323 1.637 1.00 0.00 C ATOM 0 H PHE A 98 8.996 0.320 -2.184 1.00 0.00 H new ATOM 0 HA PHE A 98 7.063 1.200 -4.247 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.261 0.377 -2.878 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.407 -0.936 -3.065 1.00 0.00 H new ATOM 0 HD1 PHE A 98 8.236 -1.098 -1.162 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.499 0.899 -0.747 1.00 0.00 H new ATOM 0 HE1 PHE A 98 8.401 -1.304 1.277 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.656 0.692 1.695 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.607 -0.418 2.711 1.00 0.00 H new ATOM 1632 N LYS A 99 8.149 3.246 -2.734 1.00 0.00 N ATOM 1633 CA LYS A 99 8.158 4.564 -2.114 1.00 0.00 C ATOM 1634 C LYS A 99 7.052 5.432 -2.703 1.00 0.00 C ATOM 1635 O LYS A 99 6.325 6.112 -1.980 1.00 0.00 O ATOM 1636 CB LYS A 99 9.523 5.232 -2.318 1.00 0.00 C ATOM 1637 CG LYS A 99 9.456 6.706 -2.685 1.00 0.00 C ATOM 1638 CD LYS A 99 10.843 7.310 -2.836 1.00 0.00 C ATOM 1639 CE LYS A 99 11.169 8.256 -1.692 1.00 0.00 C ATOM 1640 NZ LYS A 99 12.031 9.387 -2.133 1.00 0.00 N ATOM 0 H LYS A 99 8.925 3.074 -3.374 1.00 0.00 H new ATOM 0 HA LYS A 99 7.979 4.451 -1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 99 10.106 5.125 -1.403 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.060 4.699 -3.103 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.904 6.824 -3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.904 7.248 -1.917 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.586 6.513 -2.873 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.905 7.847 -3.782 1.00 0.00 H new ATOM 0 HE2 LYS A 99 10.243 8.648 -1.271 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.672 7.705 -0.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 12.230 10.008 -1.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 12.925 9.015 -2.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 11.541 9.929 -2.873 1.00 0.00 H new ATOM 1654 N ASP A 100 6.944 5.404 -4.025 1.00 0.00 N ATOM 1655 CA ASP A 100 5.940 6.188 -4.727 1.00 0.00 C ATOM 1656 C ASP A 100 4.534 5.735 -4.359 1.00 0.00 C ATOM 1657 O ASP A 100 3.608 6.541 -4.319 1.00 0.00 O ATOM 1658 CB ASP A 100 6.145 6.080 -6.239 1.00 0.00 C ATOM 1659 CG ASP A 100 7.539 6.497 -6.667 1.00 0.00 C ATOM 1660 OD1 ASP A 100 8.502 6.198 -5.929 1.00 0.00 O ATOM 1661 OD2 ASP A 100 7.668 7.122 -7.740 1.00 0.00 O ATOM 0 H ASP A 100 7.542 4.845 -4.633 1.00 0.00 H new ATOM 0 HA ASP A 100 6.054 7.229 -4.424 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.964 5.053 -6.555 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.410 6.704 -6.748 1.00 0.00 H new ATOM 1666 N VAL A 101 4.375 4.442 -4.093 1.00 0.00 N ATOM 1667 CA VAL A 101 3.073 3.895 -3.735 1.00 0.00 C ATOM 1668 C VAL A 101 2.676 4.301 -2.333 1.00 0.00 C ATOM 1669 O VAL A 101 1.696 5.010 -2.148 1.00 0.00 O ATOM 1670 CB VAL A 101 3.056 2.366 -3.855 1.00 0.00 C ATOM 1671 CG1 VAL A 101 1.669 1.812 -3.570 1.00 0.00 C ATOM 1672 CG2 VAL A 101 3.520 1.975 -5.238 1.00 0.00 C ATOM 0 H VAL A 101 5.130 3.756 -4.119 1.00 0.00 H new ATOM 0 HA VAL A 101 2.349 4.307 -4.438 1.00 0.00 H new ATOM 0 HB VAL A 101 3.733 1.940 -3.114 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.685 0.726 -3.662 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.368 2.086 -2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.958 2.226 -4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.511 0.889 -5.331 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.852 2.409 -5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.533 2.344 -5.400 1.00 0.00 H new ATOM 1682 N ASN A 102 3.449 3.883 -1.340 1.00 0.00 N ATOM 1683 CA ASN A 102 3.150 4.264 0.034 1.00 0.00 C ATOM 1684 C ASN A 102 2.915 5.775 0.092 1.00 0.00 C ATOM 1685 O ASN A 102 2.184 6.277 0.946 1.00 0.00 O ATOM 1686 CB ASN A 102 4.288 3.837 0.975 1.00 0.00 C ATOM 1687 CG ASN A 102 5.335 4.917 1.180 1.00 0.00 C ATOM 1688 OD1 ASN A 102 5.056 5.970 1.754 1.00 0.00 O ATOM 1689 ND2 ASN A 102 6.549 4.657 0.715 1.00 0.00 N ATOM 0 H ASN A 102 4.272 3.292 -1.455 1.00 0.00 H new ATOM 0 HA ASN A 102 2.247 3.753 0.368 1.00 0.00 H new ATOM 0 HB2 ASN A 102 3.867 3.561 1.942 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.769 2.946 0.571 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.296 5.343 0.827 1.00 0.00 H new ATOM 0 HD22 ASN A 102 6.736 3.771 0.245 1.00 0.00 H new ATOM 1696 N ARG A 103 3.532 6.485 -0.855 1.00 0.00 N ATOM 1697 CA ARG A 103 3.393 7.925 -0.957 1.00 0.00 C ATOM 1698 C ARG A 103 2.103 8.296 -1.687 1.00 0.00 C ATOM 1699 O ARG A 103 1.349 9.148 -1.214 1.00 0.00 O ATOM 1700 CB ARG A 103 4.595 8.523 -1.689 1.00 0.00 C ATOM 1701 CG ARG A 103 5.776 8.815 -0.780 1.00 0.00 C ATOM 1702 CD ARG A 103 6.684 9.881 -1.371 1.00 0.00 C ATOM 1703 NE ARG A 103 6.300 11.224 -0.943 1.00 0.00 N ATOM 1704 CZ ARG A 103 7.110 12.280 -0.999 1.00 0.00 C ATOM 1705 NH1 ARG A 103 8.347 12.154 -1.465 1.00 0.00 N ATOM 1706 NH2 ARG A 103 6.681 13.466 -0.589 1.00 0.00 N ATOM 0 H ARG A 103 4.137 6.073 -1.565 1.00 0.00 H new ATOM 0 HA ARG A 103 3.350 8.334 0.052 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.912 7.835 -2.473 1.00 0.00 H new ATOM 0 HB3 ARG A 103 4.288 9.446 -2.180 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.414 9.143 0.194 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.346 7.900 -0.617 1.00 0.00 H new ATOM 0 HD2 ARG A 103 7.714 9.686 -1.073 1.00 0.00 H new ATOM 0 HD3 ARG A 103 6.651 9.824 -2.459 1.00 0.00 H new ATOM 0 HE ARG A 103 5.357 11.361 -0.580 1.00 0.00 H new ATOM 0 HH11 ARG A 103 8.682 11.245 -1.783 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.962 12.967 -1.505 1.00 0.00 H new ATOM 0 HH21 ARG A 103 5.731 13.569 -0.231 1.00 0.00 H new ATOM 0 HH22 ARG A 103 7.301 14.275 -0.632 1.00 0.00 H new ATOM 1720 N LYS A 104 1.835 7.661 -2.837 1.00 0.00 N ATOM 1721 CA LYS A 104 0.621 7.966 -3.579 1.00 0.00 C ATOM 1722 C LYS A 104 -0.567 7.257 -2.942 1.00 0.00 C ATOM 1723 O LYS A 104 -1.633 7.843 -2.764 1.00 0.00 O ATOM 1724 CB LYS A 104 0.824 7.582 -5.050 1.00 0.00 C ATOM 1725 CG LYS A 104 -0.142 6.549 -5.628 1.00 0.00 C ATOM 1726 CD LYS A 104 0.598 5.459 -6.400 1.00 0.00 C ATOM 1727 CE LYS A 104 1.754 6.017 -7.226 1.00 0.00 C ATOM 1728 NZ LYS A 104 2.962 5.148 -7.157 1.00 0.00 N ATOM 0 H LYS A 104 2.432 6.950 -3.259 1.00 0.00 H new ATOM 0 HA LYS A 104 0.406 9.034 -3.543 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.753 8.488 -5.651 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.839 7.201 -5.166 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.718 6.097 -4.821 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.853 7.045 -6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.980 4.717 -5.699 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.102 4.945 -7.059 1.00 0.00 H new ATOM 0 HE2 LYS A 104 1.440 6.119 -8.265 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.005 7.016 -6.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.773 5.707 -6.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.788 4.363 -6.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.169 4.766 -8.102 1.00 0.00 H new ATOM 1742 N LEU A 105 -0.349 6.000 -2.582 1.00 0.00 N ATOM 1743 CA LEU A 105 -1.360 5.177 -1.937 1.00 0.00 C ATOM 1744 C LEU A 105 -1.835 5.834 -0.639 1.00 0.00 C ATOM 1745 O LEU A 105 -3.015 5.758 -0.282 1.00 0.00 O ATOM 1746 CB LEU A 105 -0.768 3.792 -1.654 1.00 0.00 C ATOM 1747 CG LEU A 105 -1.735 2.756 -1.081 1.00 0.00 C ATOM 1748 CD1 LEU A 105 -1.180 1.351 -1.256 1.00 0.00 C ATOM 1749 CD2 LEU A 105 -2.009 3.046 0.383 1.00 0.00 C ATOM 0 H LEU A 105 0.539 5.521 -2.730 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.222 5.075 -2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.353 3.399 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.063 3.909 -0.958 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.676 2.819 -1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.883 0.628 -0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.033 1.147 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.226 1.269 -0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.699 2.301 0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.074 3.008 0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.451 4.038 0.481 1.00 0.00 H new ATOM 1761 N SER A 106 -0.908 6.489 0.055 1.00 0.00 N ATOM 1762 CA SER A 106 -1.223 7.168 1.308 1.00 0.00 C ATOM 1763 C SER A 106 -2.218 8.300 1.075 1.00 0.00 C ATOM 1764 O SER A 106 -3.286 8.339 1.683 1.00 0.00 O ATOM 1765 CB SER A 106 0.051 7.728 1.944 1.00 0.00 C ATOM 1766 OG SER A 106 -0.255 8.690 2.939 1.00 0.00 O ATOM 0 H SER A 106 0.069 6.564 -0.230 1.00 0.00 H new ATOM 0 HA SER A 106 -1.672 6.439 1.983 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.628 6.915 2.385 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.676 8.182 1.175 1.00 0.00 H new ATOM 0 HG SER A 106 0.576 9.031 3.331 1.00 0.00 H new ATOM 1772 N ASP A 107 -1.851 9.223 0.190 1.00 0.00 N ATOM 1773 CA ASP A 107 -2.700 10.367 -0.130 1.00 0.00 C ATOM 1774 C ASP A 107 -4.117 9.928 -0.484 1.00 0.00 C ATOM 1775 O ASP A 107 -5.087 10.632 -0.202 1.00 0.00 O ATOM 1776 CB ASP A 107 -2.103 11.149 -1.295 1.00 0.00 C ATOM 1777 CG ASP A 107 -2.210 12.650 -1.103 1.00 0.00 C ATOM 1778 OD1 ASP A 107 -3.281 13.213 -1.415 1.00 0.00 O ATOM 1779 OD2 ASP A 107 -1.226 13.260 -0.637 1.00 0.00 O ATOM 0 H ASP A 107 -0.968 9.201 -0.320 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.750 11.003 0.754 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.055 10.875 -1.413 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.612 10.867 -2.217 1.00 0.00 H new ATOM 1784 N VAL A 108 -4.228 8.763 -1.110 1.00 0.00 N ATOM 1785 CA VAL A 108 -5.521 8.231 -1.510 1.00 0.00 C ATOM 1786 C VAL A 108 -6.423 8.046 -0.305 1.00 0.00 C ATOM 1787 O VAL A 108 -7.569 8.492 -0.310 1.00 0.00 O ATOM 1788 CB VAL A 108 -5.385 6.882 -2.235 1.00 0.00 C ATOM 1789 CG1 VAL A 108 -6.601 6.609 -3.101 1.00 0.00 C ATOM 1790 CG2 VAL A 108 -4.122 6.838 -3.071 1.00 0.00 C ATOM 0 H VAL A 108 -3.435 8.169 -1.351 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.959 8.957 -2.195 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.319 6.102 -1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -6.482 5.649 -3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.494 6.583 -2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.702 7.399 -3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.051 5.873 -3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.151 7.633 -3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.254 6.976 -2.426 1.00 0.00 H new ATOM 1800 N TRP A 109 -5.907 7.395 0.736 1.00 0.00 N ATOM 1801 CA TRP A 109 -6.713 7.188 1.936 1.00 0.00 C ATOM 1802 C TRP A 109 -7.076 8.529 2.553 1.00 0.00 C ATOM 1803 O TRP A 109 -8.160 8.697 3.107 1.00 0.00 O ATOM 1804 CB TRP A 109 -6.012 6.314 2.979 1.00 0.00 C ATOM 1805 CG TRP A 109 -6.867 6.117 4.200 1.00 0.00 C ATOM 1806 CD1 TRP A 109 -6.508 6.306 5.505 1.00 0.00 C ATOM 1807 CD2 TRP A 109 -8.246 5.722 4.219 1.00 0.00 C ATOM 1808 NE1 TRP A 109 -7.580 6.051 6.332 1.00 0.00 N ATOM 1809 CE2 TRP A 109 -8.659 5.689 5.564 1.00 0.00 C ATOM 1810 CE3 TRP A 109 -9.169 5.390 3.224 1.00 0.00 C ATOM 1811 CZ2 TRP A 109 -9.962 5.343 5.935 1.00 0.00 C ATOM 1812 CZ3 TRP A 109 -10.454 5.047 3.593 1.00 0.00 C ATOM 1813 CH2 TRP A 109 -10.840 5.028 4.936 1.00 0.00 C ATOM 0 H TRP A 109 -4.962 7.012 0.774 1.00 0.00 H new ATOM 0 HA TRP A 109 -7.614 6.659 1.626 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -5.773 5.345 2.541 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -5.067 6.776 3.266 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -5.527 6.611 5.839 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.573 6.120 7.350 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -8.882 5.402 2.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -10.263 5.325 6.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -11.174 4.789 2.830 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -11.854 4.758 5.190 1.00 0.00 H new ATOM 1824 N LYS A 110 -6.166 9.489 2.439 1.00 0.00 N ATOM 1825 CA LYS A 110 -6.400 10.821 2.973 1.00 0.00 C ATOM 1826 C LYS A 110 -7.607 11.446 2.286 1.00 0.00 C ATOM 1827 O LYS A 110 -8.391 12.160 2.906 1.00 0.00 O ATOM 1828 CB LYS A 110 -5.164 11.697 2.767 1.00 0.00 C ATOM 1829 CG LYS A 110 -3.894 11.110 3.367 1.00 0.00 C ATOM 1830 CD LYS A 110 -2.761 12.125 3.376 1.00 0.00 C ATOM 1831 CE LYS A 110 -2.522 12.682 4.771 1.00 0.00 C ATOM 1832 NZ LYS A 110 -1.664 13.898 4.743 1.00 0.00 N ATOM 0 H LYS A 110 -5.262 9.368 1.982 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.598 10.746 4.042 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.013 11.852 1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.346 12.677 3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -4.092 10.775 4.385 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.593 10.232 2.796 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.848 11.656 3.009 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.997 12.941 2.693 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.479 12.923 5.235 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.051 11.919 5.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.525 14.247 5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.742 13.663 4.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.125 14.635 4.173 1.00 0.00 H new ATOM 1846 N GLU A 111 -7.745 11.162 0.996 1.00 0.00 N ATOM 1847 CA GLU A 111 -8.851 11.681 0.202 1.00 0.00 C ATOM 1848 C GLU A 111 -10.046 10.735 0.234 1.00 0.00 C ATOM 1849 O GLU A 111 -11.189 11.148 0.033 1.00 0.00 O ATOM 1850 CB GLU A 111 -8.394 11.884 -1.239 1.00 0.00 C ATOM 1851 CG GLU A 111 -8.501 13.326 -1.698 1.00 0.00 C ATOM 1852 CD GLU A 111 -8.323 13.479 -3.195 1.00 0.00 C ATOM 1853 OE1 GLU A 111 -9.318 13.312 -3.932 1.00 0.00 O ATOM 1854 OE2 GLU A 111 -7.188 13.767 -3.632 1.00 0.00 O ATOM 0 H GLU A 111 -7.098 10.570 0.475 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.161 12.634 0.630 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.360 11.553 -1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.993 11.254 -1.896 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.474 13.723 -1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.748 13.923 -1.184 1.00 0.00 H new ATOM 1861 N LEU A 112 -9.774 9.464 0.478 1.00 0.00 N ATOM 1862 CA LEU A 112 -10.821 8.453 0.529 1.00 0.00 C ATOM 1863 C LEU A 112 -11.510 8.465 1.888 1.00 0.00 C ATOM 1864 O LEU A 112 -12.736 8.376 1.976 1.00 0.00 O ATOM 1865 CB LEU A 112 -10.232 7.070 0.235 1.00 0.00 C ATOM 1866 CG LEU A 112 -11.244 5.923 0.168 1.00 0.00 C ATOM 1867 CD1 LEU A 112 -12.417 6.278 -0.721 1.00 0.00 C ATOM 1868 CD2 LEU A 112 -10.582 4.665 -0.352 1.00 0.00 C ATOM 0 H LEU A 112 -8.834 9.105 0.645 1.00 0.00 H new ATOM 0 HA LEU A 112 -11.567 8.683 -0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.698 7.116 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.496 6.837 1.004 1.00 0.00 H new ATOM 0 HG LEU A 112 -11.613 5.749 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -13.118 5.444 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.919 7.161 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.060 6.485 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.315 3.859 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.187 4.848 -1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.767 4.381 0.314 1.00 0.00 H new ATOM 1880 N SER A 113 -10.715 8.587 2.945 1.00 0.00 N ATOM 1881 CA SER A 113 -11.244 8.624 4.301 1.00 0.00 C ATOM 1882 C SER A 113 -11.969 9.942 4.556 1.00 0.00 C ATOM 1883 O SER A 113 -13.068 9.958 5.109 1.00 0.00 O ATOM 1884 CB SER A 113 -10.113 8.440 5.317 1.00 0.00 C ATOM 1885 OG SER A 113 -9.645 9.688 5.803 1.00 0.00 O ATOM 0 H SER A 113 -9.699 8.662 2.887 1.00 0.00 H new ATOM 0 HA SER A 113 -11.957 7.807 4.416 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.466 7.833 6.150 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.290 7.897 4.853 1.00 0.00 H new ATOM 0 HG SER A 113 -8.925 9.538 6.450 1.00 0.00 H new ATOM 1891 N LEU A 114 -11.347 11.046 4.150 1.00 0.00 N ATOM 1892 CA LEU A 114 -11.941 12.362 4.341 1.00 0.00 C ATOM 1893 C LEU A 114 -13.249 12.474 3.557 1.00 0.00 C ATOM 1894 O LEU A 114 -14.175 13.167 3.980 1.00 0.00 O ATOM 1895 CB LEU A 114 -10.924 13.464 3.975 1.00 0.00 C ATOM 1896 CG LEU A 114 -11.212 14.319 2.731 1.00 0.00 C ATOM 1897 CD1 LEU A 114 -11.337 13.449 1.498 1.00 0.00 C ATOM 1898 CD2 LEU A 114 -12.460 15.167 2.924 1.00 0.00 C ATOM 0 H LEU A 114 -10.437 11.054 3.689 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.193 12.501 5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.835 14.135 4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.952 12.991 3.839 1.00 0.00 H new ATOM 0 HG LEU A 114 -10.369 14.995 2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -11.541 14.076 0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -10.406 12.904 1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.154 12.740 1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -12.638 15.761 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -13.317 14.518 3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.321 15.831 3.777 1.00 0.00 H new ATOM 1910 N LEU A 115 -13.333 11.771 2.429 1.00 0.00 N ATOM 1911 CA LEU A 115 -14.544 11.779 1.616 1.00 0.00 C ATOM 1912 C LEU A 115 -15.632 10.949 2.282 1.00 0.00 C ATOM 1913 O LEU A 115 -16.769 11.398 2.432 1.00 0.00 O ATOM 1914 CB LEU A 115 -14.256 11.226 0.219 1.00 0.00 C ATOM 1915 CG LEU A 115 -13.670 12.237 -0.761 1.00 0.00 C ATOM 1916 CD1 LEU A 115 -13.307 11.566 -2.079 1.00 0.00 C ATOM 1917 CD2 LEU A 115 -14.648 13.380 -0.988 1.00 0.00 C ATOM 0 H LEU A 115 -12.579 11.191 2.060 1.00 0.00 H new ATOM 0 HA LEU A 115 -14.887 12.810 1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.565 10.388 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -15.182 10.832 -0.198 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.756 12.645 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -12.891 12.307 -2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.569 10.784 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -14.201 11.126 -2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -14.217 14.094 -1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -15.579 12.987 -1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -14.850 13.879 -0.040 1.00 0.00 H new ATOM 1929 N LEU A 116 -15.272 9.733 2.685 1.00 0.00 N ATOM 1930 CA LEU A 116 -16.211 8.833 3.340 1.00 0.00 C ATOM 1931 C LEU A 116 -16.869 9.510 4.535 1.00 0.00 C ATOM 1932 O LEU A 116 -18.069 9.356 4.765 1.00 0.00 O ATOM 1933 CB LEU A 116 -15.495 7.558 3.780 1.00 0.00 C ATOM 1934 CG LEU A 116 -15.500 6.442 2.740 1.00 0.00 C ATOM 1935 CD1 LEU A 116 -14.525 5.340 3.126 1.00 0.00 C ATOM 1936 CD2 LEU A 116 -16.905 5.886 2.580 1.00 0.00 C ATOM 0 H LEU A 116 -14.334 9.350 2.568 1.00 0.00 H new ATOM 0 HA LEU A 116 -16.992 8.572 2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -14.462 7.803 4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -15.963 7.190 4.693 1.00 0.00 H new ATOM 0 HG LEU A 116 -15.177 6.855 1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -14.545 4.555 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -13.518 5.752 3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -14.812 4.922 4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -16.899 5.090 1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -17.250 5.488 3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -17.576 6.681 2.255 1.00 0.00 H new ATOM 1948 N GLN A 117 -16.082 10.274 5.284 1.00 0.00 N ATOM 1949 CA GLN A 117 -16.599 10.990 6.444 1.00 0.00 C ATOM 1950 C GLN A 117 -17.748 11.906 6.030 1.00 0.00 C ATOM 1951 O GLN A 117 -18.588 12.276 6.847 1.00 0.00 O ATOM 1952 CB GLN A 117 -15.489 11.813 7.101 1.00 0.00 C ATOM 1953 CG GLN A 117 -14.716 11.054 8.165 1.00 0.00 C ATOM 1954 CD GLN A 117 -13.288 11.544 8.305 1.00 0.00 C ATOM 1955 OE1 GLN A 117 -12.999 12.432 9.107 1.00 0.00 O ATOM 1956 NE2 GLN A 117 -12.385 10.966 7.521 1.00 0.00 N ATOM 0 H GLN A 117 -15.087 10.413 5.110 1.00 0.00 H new ATOM 0 HA GLN A 117 -16.969 10.260 7.164 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -14.795 12.151 6.331 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -15.927 12.705 7.549 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -15.227 11.155 9.122 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -14.710 9.992 7.917 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -12.669 10.233 6.870 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -11.408 11.255 7.570 1.00 0.00 H new ATOM 1965 N VAL A 118 -17.771 12.274 4.752 1.00 0.00 N ATOM 1966 CA VAL A 118 -18.808 13.148 4.220 1.00 0.00 C ATOM 1967 C VAL A 118 -19.989 12.355 3.672 1.00 0.00 C ATOM 1968 O VAL A 118 -21.131 12.541 4.092 1.00 0.00 O ATOM 1969 CB VAL A 118 -18.263 14.034 3.087 1.00 0.00 C ATOM 1970 CG1 VAL A 118 -19.221 15.174 2.793 1.00 0.00 C ATOM 1971 CG2 VAL A 118 -16.878 14.557 3.429 1.00 0.00 C ATOM 0 H VAL A 118 -17.079 11.978 4.064 1.00 0.00 H new ATOM 0 HA VAL A 118 -19.140 13.768 5.053 1.00 0.00 H new ATOM 0 HB VAL A 118 -18.176 13.425 2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -18.818 15.790 1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -20.187 14.769 2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -19.347 15.783 3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -16.513 15.181 2.613 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -16.928 15.148 4.344 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -16.198 13.718 3.576 1.00 0.00 H new ATOM 1981 N GLU A 119 -19.700 11.497 2.700 1.00 0.00 N ATOM 1982 CA GLU A 119 -20.728 10.694 2.041 1.00 0.00 C ATOM 1983 C GLU A 119 -21.420 9.715 2.990 1.00 0.00 C ATOM 1984 O GLU A 119 -22.647 9.621 2.998 1.00 0.00 O ATOM 1985 CB GLU A 119 -20.116 9.928 0.867 1.00 0.00 C ATOM 1986 CG GLU A 119 -19.536 10.830 -0.214 1.00 0.00 C ATOM 1987 CD GLU A 119 -20.504 11.913 -0.654 1.00 0.00 C ATOM 1988 OE1 GLU A 119 -21.685 11.589 -0.900 1.00 0.00 O ATOM 1989 OE2 GLU A 119 -20.080 13.083 -0.753 1.00 0.00 O ATOM 0 H GLU A 119 -18.756 11.338 2.348 1.00 0.00 H new ATOM 0 HA GLU A 119 -21.490 11.387 1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -19.330 9.273 1.242 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -20.879 9.289 0.424 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -18.622 11.294 0.157 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -19.258 10.224 -1.077 1.00 0.00 H new ATOM 1996 N GLN A 120 -20.643 8.973 3.775 1.00 0.00 N ATOM 1997 CA GLN A 120 -21.224 7.996 4.696 1.00 0.00 C ATOM 1998 C GLN A 120 -21.285 8.520 6.128 1.00 0.00 C ATOM 1999 O GLN A 120 -21.916 7.907 6.989 1.00 0.00 O ATOM 2000 CB GLN A 120 -20.435 6.687 4.659 1.00 0.00 C ATOM 2001 CG GLN A 120 -21.253 5.482 5.099 1.00 0.00 C ATOM 2002 CD GLN A 120 -20.466 4.187 5.052 1.00 0.00 C ATOM 2003 OE1 GLN A 120 -20.168 3.591 6.087 1.00 0.00 O ATOM 2004 NE2 GLN A 120 -20.128 3.743 3.847 1.00 0.00 N ATOM 0 H GLN A 120 -19.625 9.026 3.794 1.00 0.00 H new ATOM 0 HA GLN A 120 -22.246 7.815 4.363 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -20.069 6.519 3.646 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -19.560 6.779 5.303 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -21.614 5.645 6.114 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -22.131 5.392 4.459 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -20.396 4.270 3.016 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -19.600 2.875 3.753 1.00 0.00 H new ATOM 2013 N ARG A 121 -20.635 9.649 6.386 1.00 0.00 N ATOM 2014 CA ARG A 121 -20.631 10.233 7.721 1.00 0.00 C ATOM 2015 C ARG A 121 -19.969 9.297 8.728 1.00 0.00 C ATOM 2016 O ARG A 121 -20.241 9.370 9.926 1.00 0.00 O ATOM 2017 CB ARG A 121 -22.061 10.554 8.168 1.00 0.00 C ATOM 2018 CG ARG A 121 -22.583 11.876 7.628 1.00 0.00 C ATOM 2019 CD ARG A 121 -22.686 12.926 8.722 1.00 0.00 C ATOM 2020 NE ARG A 121 -24.041 13.024 9.260 1.00 0.00 N ATOM 2021 CZ ARG A 121 -25.037 13.663 8.649 1.00 0.00 C ATOM 2022 NH1 ARG A 121 -24.833 14.260 7.481 1.00 0.00 N ATOM 2023 NH2 ARG A 121 -26.239 13.703 9.207 1.00 0.00 N ATOM 0 H ARG A 121 -20.106 10.176 5.691 1.00 0.00 H new ATOM 0 HA ARG A 121 -20.054 11.157 7.680 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -22.723 9.751 7.844 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -22.096 10.576 9.257 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -21.921 12.235 6.840 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -23.563 11.723 7.176 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -21.993 12.680 9.527 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -22.383 13.895 8.325 1.00 0.00 H new ATOM 0 HE ARG A 121 -24.235 12.577 10.156 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -23.910 14.231 7.048 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -25.599 14.748 7.017 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -26.400 13.245 10.104 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -27.002 14.192 8.740 1.00 0.00 H new ATOM 2037 N MET A 122 -19.097 8.419 8.237 1.00 0.00 N ATOM 2038 CA MET A 122 -18.401 7.479 9.104 1.00 0.00 C ATOM 2039 C MET A 122 -17.221 8.160 9.799 1.00 0.00 C ATOM 2040 O MET A 122 -16.346 8.719 9.141 1.00 0.00 O ATOM 2041 CB MET A 122 -17.926 6.257 8.304 1.00 0.00 C ATOM 2042 CG MET A 122 -16.736 6.521 7.383 1.00 0.00 C ATOM 2043 SD MET A 122 -15.318 5.467 7.762 1.00 0.00 S ATOM 2044 CE MET A 122 -14.146 5.978 6.502 1.00 0.00 C ATOM 0 H MET A 122 -18.858 8.341 7.248 1.00 0.00 H new ATOM 0 HA MET A 122 -19.098 7.138 9.869 1.00 0.00 H new ATOM 0 HB2 MET A 122 -17.659 5.464 9.002 1.00 0.00 H new ATOM 0 HB3 MET A 122 -18.757 5.887 7.704 1.00 0.00 H new ATOM 0 HG2 MET A 122 -17.039 6.359 6.349 1.00 0.00 H new ATOM 0 HG3 MET A 122 -16.440 7.567 7.468 1.00 0.00 H new ATOM 0 HE1 MET A 122 -13.138 5.963 6.915 1.00 0.00 H new ATOM 0 HE2 MET A 122 -14.201 5.294 5.655 1.00 0.00 H new ATOM 0 HE3 MET A 122 -14.386 6.988 6.170 1.00 0.00 H new ATOM 2054 N PRO A 123 -17.180 8.139 11.144 1.00 0.00 N ATOM 2055 CA PRO A 123 -16.094 8.769 11.898 1.00 0.00 C ATOM 2056 C PRO A 123 -14.756 8.089 11.642 1.00 0.00 C ATOM 2057 O PRO A 123 -14.627 6.875 11.792 1.00 0.00 O ATOM 2058 CB PRO A 123 -16.509 8.597 13.367 1.00 0.00 C ATOM 2059 CG PRO A 123 -17.957 8.238 13.331 1.00 0.00 C ATOM 2060 CD PRO A 123 -18.175 7.518 12.031 1.00 0.00 C ATOM 0 HA PRO A 123 -15.954 9.811 11.610 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -15.923 7.816 13.852 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -16.346 9.515 13.931 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -18.223 7.604 14.177 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -18.581 9.129 13.392 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -18.014 6.445 12.131 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -19.190 7.654 11.658 1.00 0.00 H new ATOM 2068 N VAL A 124 -13.767 8.879 11.246 1.00 0.00 N ATOM 2069 CA VAL A 124 -12.442 8.349 10.960 1.00 0.00 C ATOM 2070 C VAL A 124 -11.362 9.110 11.711 1.00 0.00 C ATOM 2071 O VAL A 124 -11.545 10.268 12.088 1.00 0.00 O ATOM 2072 CB VAL A 124 -12.125 8.417 9.456 1.00 0.00 C ATOM 2073 CG1 VAL A 124 -10.901 7.578 9.125 1.00 0.00 C ATOM 2074 CG2 VAL A 124 -13.322 7.970 8.638 1.00 0.00 C ATOM 0 H VAL A 124 -13.857 9.887 11.116 1.00 0.00 H new ATOM 0 HA VAL A 124 -12.449 7.310 11.288 1.00 0.00 H new ATOM 0 HB VAL A 124 -11.904 9.453 9.199 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -10.695 7.641 8.056 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -10.042 7.952 9.683 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -11.087 6.539 9.398 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -13.079 8.025 7.577 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -13.578 6.943 8.899 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -14.171 8.620 8.850 1.00 0.00 H new ATOM 2084 N SER A 125 -10.228 8.455 11.904 1.00 0.00 N ATOM 2085 CA SER A 125 -9.096 9.064 12.588 1.00 0.00 C ATOM 2086 C SER A 125 -7.995 9.367 11.577 1.00 0.00 C ATOM 2087 O SER A 125 -8.077 8.930 10.431 1.00 0.00 O ATOM 2088 CB SER A 125 -8.572 8.129 13.681 1.00 0.00 C ATOM 2089 OG SER A 125 -8.967 8.578 14.967 1.00 0.00 O ATOM 0 H SER A 125 -10.066 7.497 11.595 1.00 0.00 H new ATOM 0 HA SER A 125 -9.417 9.994 13.057 1.00 0.00 H new ATOM 0 HB2 SER A 125 -8.949 7.120 13.513 1.00 0.00 H new ATOM 0 HB3 SER A 125 -7.485 8.076 13.629 1.00 0.00 H new ATOM 0 HG SER A 125 -8.622 7.964 15.648 1.00 0.00 H new ATOM 2095 N PRO A 126 -6.948 10.114 11.975 1.00 0.00 N ATOM 2096 CA PRO A 126 -5.841 10.448 11.076 1.00 0.00 C ATOM 2097 C PRO A 126 -5.247 9.195 10.441 1.00 0.00 C ATOM 2098 O PRO A 126 -4.230 8.676 10.899 1.00 0.00 O ATOM 2099 CB PRO A 126 -4.812 11.136 11.987 1.00 0.00 C ATOM 2100 CG PRO A 126 -5.262 10.853 13.383 1.00 0.00 C ATOM 2101 CD PRO A 126 -6.751 10.680 13.316 1.00 0.00 C ATOM 0 HA PRO A 126 -6.159 11.080 10.247 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -3.810 10.746 11.811 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -4.775 12.209 11.797 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -4.783 9.954 13.772 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -4.995 11.671 14.052 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -7.117 10.012 14.096 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -7.275 11.628 13.437 1.00 0.00 H new ATOM 2109 N ILE A 127 -5.914 8.701 9.401 1.00 0.00 N ATOM 2110 CA ILE A 127 -5.489 7.491 8.709 1.00 0.00 C ATOM 2111 C ILE A 127 -5.714 6.264 9.592 1.00 0.00 C ATOM 2112 O ILE A 127 -6.454 5.353 9.222 1.00 0.00 O ATOM 2113 CB ILE A 127 -4.009 7.560 8.268 1.00 0.00 C ATOM 2114 CG1 ILE A 127 -3.796 8.748 7.324 1.00 0.00 C ATOM 2115 CG2 ILE A 127 -3.593 6.262 7.588 1.00 0.00 C ATOM 2116 CD1 ILE A 127 -2.380 8.863 6.803 1.00 0.00 C ATOM 0 H ILE A 127 -6.758 9.126 9.018 1.00 0.00 H new ATOM 0 HA ILE A 127 -6.097 7.406 7.809 1.00 0.00 H new ATOM 0 HB ILE A 127 -3.388 7.698 9.153 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -4.479 8.657 6.479 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -4.057 9.668 7.847 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -2.548 6.329 7.284 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -3.716 5.431 8.283 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -4.216 6.096 6.709 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -2.305 9.726 6.142 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -1.693 8.986 7.640 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.121 7.959 6.251 1.00 0.00 H new ATOM 2128 N SER A 128 -5.081 6.247 10.765 1.00 0.00 N ATOM 2129 CA SER A 128 -5.225 5.131 11.697 1.00 0.00 C ATOM 2130 C SER A 128 -4.651 3.853 11.099 1.00 0.00 C ATOM 2131 O SER A 128 -5.240 2.778 11.213 1.00 0.00 O ATOM 2132 CB SER A 128 -6.697 4.925 12.061 1.00 0.00 C ATOM 2133 OG SER A 128 -6.829 4.320 13.336 1.00 0.00 O ATOM 0 H SER A 128 -4.465 6.992 11.091 1.00 0.00 H new ATOM 0 HA SER A 128 -4.669 5.371 12.603 1.00 0.00 H new ATOM 0 HB2 SER A 128 -7.214 5.885 12.056 1.00 0.00 H new ATOM 0 HB3 SER A 128 -7.177 4.300 11.308 1.00 0.00 H new ATOM 0 HG SER A 128 -7.779 4.201 13.545 1.00 0.00 H new ATOM 2139 N GLN A 129 -3.499 3.984 10.455 1.00 0.00 N ATOM 2140 CA GLN A 129 -2.834 2.851 9.825 1.00 0.00 C ATOM 2141 C GLN A 129 -1.336 3.114 9.707 1.00 0.00 C ATOM 2142 O GLN A 129 -0.671 2.584 8.816 1.00 0.00 O ATOM 2143 CB GLN A 129 -3.430 2.571 8.436 1.00 0.00 C ATOM 2144 CG GLN A 129 -4.589 3.483 8.056 1.00 0.00 C ATOM 2145 CD GLN A 129 -5.940 2.810 8.189 1.00 0.00 C ATOM 2146 OE1 GLN A 129 -6.136 1.950 9.049 1.00 0.00 O ATOM 2147 NE2 GLN A 129 -6.883 3.203 7.340 1.00 0.00 N ATOM 0 H GLN A 129 -3.003 4.870 10.355 1.00 0.00 H new ATOM 0 HA GLN A 129 -2.992 1.973 10.452 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -2.643 2.672 7.689 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -3.771 1.536 8.402 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -4.568 4.371 8.688 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -4.457 3.820 7.028 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -6.676 3.919 6.644 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -7.814 2.789 7.385 1.00 0.00 H new ATOM 2156 N GLY A 130 -0.811 3.944 10.608 1.00 0.00 N ATOM 2157 CA GLY A 130 0.603 4.272 10.581 1.00 0.00 C ATOM 2158 C GLY A 130 1.051 4.739 9.211 1.00 0.00 C ATOM 2159 O GLY A 130 1.597 3.962 8.437 1.00 0.00 O ATOM 0 H GLY A 130 -1.341 4.394 11.355 1.00 0.00 H new ATOM 0 HA2 GLY A 130 0.809 5.051 11.315 1.00 0.00 H new ATOM 0 HA3 GLY A 130 1.184 3.397 10.874 1.00 0.00 H new ATOM 2163 N ALA A 131 0.807 6.012 8.911 1.00 0.00 N ATOM 2164 CA ALA A 131 1.171 6.583 7.616 1.00 0.00 C ATOM 2165 C ALA A 131 2.667 6.877 7.502 1.00 0.00 C ATOM 2166 O ALA A 131 3.082 7.679 6.665 1.00 0.00 O ATOM 2167 CB ALA A 131 0.367 7.847 7.360 1.00 0.00 C ATOM 0 H ALA A 131 0.358 6.670 9.548 1.00 0.00 H new ATOM 0 HA ALA A 131 0.935 5.836 6.858 1.00 0.00 H new ATOM 0 HB1 ALA A 131 0.645 8.265 6.393 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -0.696 7.608 7.360 1.00 0.00 H new ATOM 0 HB3 ALA A 131 0.575 8.575 8.144 1.00 0.00 H new ATOM 2173 N SER A 132 3.477 6.230 8.335 1.00 0.00 N ATOM 2174 CA SER A 132 4.919 6.436 8.301 1.00 0.00 C ATOM 2175 C SER A 132 5.595 5.476 7.324 1.00 0.00 C ATOM 2176 O SER A 132 6.817 5.326 7.340 1.00 0.00 O ATOM 2177 CB SER A 132 5.510 6.245 9.695 1.00 0.00 C ATOM 2178 OG SER A 132 5.110 7.286 10.569 1.00 0.00 O ATOM 0 H SER A 132 3.160 5.562 9.038 1.00 0.00 H new ATOM 0 HA SER A 132 5.101 7.456 7.962 1.00 0.00 H new ATOM 0 HB2 SER A 132 5.191 5.284 10.099 1.00 0.00 H new ATOM 0 HB3 SER A 132 6.598 6.218 9.631 1.00 0.00 H new ATOM 0 HG SER A 132 5.501 7.138 11.455 1.00 0.00 H new ATOM 2184 N TRP A 133 4.798 4.825 6.478 1.00 0.00 N ATOM 2185 CA TRP A 133 5.328 3.876 5.498 1.00 0.00 C ATOM 2186 C TRP A 133 6.555 4.440 4.794 1.00 0.00 C ATOM 2187 O TRP A 133 7.587 3.779 4.693 1.00 0.00 O ATOM 2188 CB TRP A 133 4.284 3.532 4.434 1.00 0.00 C ATOM 2189 CG TRP A 133 2.880 3.411 4.940 1.00 0.00 C ATOM 2190 CD1 TRP A 133 2.470 2.922 6.145 1.00 0.00 C ATOM 2191 CD2 TRP A 133 1.695 3.777 4.232 1.00 0.00 C ATOM 2192 NE1 TRP A 133 1.097 2.962 6.225 1.00 0.00 N ATOM 2193 CE2 TRP A 133 0.600 3.484 5.063 1.00 0.00 C ATOM 2194 CE3 TRP A 133 1.457 4.329 2.973 1.00 0.00 C ATOM 2195 CZ2 TRP A 133 -0.715 3.721 4.671 1.00 0.00 C ATOM 2196 CZ3 TRP A 133 0.154 4.564 2.585 1.00 0.00 C ATOM 2197 CH2 TRP A 133 -0.919 4.260 3.431 1.00 0.00 C ATOM 0 H TRP A 133 3.784 4.937 6.451 1.00 0.00 H new ATOM 0 HA TRP A 133 5.599 2.977 6.051 1.00 0.00 H new ATOM 0 HB2 TRP A 133 4.310 4.299 3.660 1.00 0.00 H new ATOM 0 HB3 TRP A 133 4.566 2.591 3.961 1.00 0.00 H new ATOM 0 HD1 TRP A 133 3.126 2.557 6.922 1.00 0.00 H new ATOM 0 HE1 TRP A 133 0.540 2.653 7.022 1.00 0.00 H new ATOM 0 HE3 TRP A 133 2.278 4.568 2.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -1.544 3.488 5.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 -0.041 4.990 1.612 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -1.928 4.455 3.098 1.00 0.00 H new ATOM 2208 N ALA A 134 6.423 5.660 4.291 1.00 0.00 N ATOM 2209 CA ALA A 134 7.506 6.319 3.574 1.00 0.00 C ATOM 2210 C ALA A 134 8.764 6.419 4.429 1.00 0.00 C ATOM 2211 O ALA A 134 9.881 6.343 3.917 1.00 0.00 O ATOM 2212 CB ALA A 134 7.057 7.695 3.112 1.00 0.00 C ATOM 0 H ALA A 134 5.571 6.216 4.367 1.00 0.00 H new ATOM 0 HA ALA A 134 7.755 5.715 2.702 1.00 0.00 H new ATOM 0 HB1 ALA A 134 7.872 8.183 2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 134 6.197 7.594 2.450 1.00 0.00 H new ATOM 0 HB3 ALA A 134 6.780 8.297 3.977 1.00 0.00 H new ATOM 2218 N GLN A 135 8.579 6.590 5.734 1.00 0.00 N ATOM 2219 CA GLN A 135 9.705 6.700 6.654 1.00 0.00 C ATOM 2220 C GLN A 135 10.431 5.364 6.786 1.00 0.00 C ATOM 2221 O GLN A 135 11.659 5.303 6.718 1.00 0.00 O ATOM 2222 CB GLN A 135 9.223 7.171 8.026 1.00 0.00 C ATOM 2223 CG GLN A 135 8.414 8.456 7.979 1.00 0.00 C ATOM 2224 CD GLN A 135 9.269 9.691 8.185 1.00 0.00 C ATOM 2225 OE1 GLN A 135 9.942 10.156 7.265 1.00 0.00 O ATOM 2226 NE2 GLN A 135 9.245 10.232 9.398 1.00 0.00 N ATOM 0 H GLN A 135 7.663 6.655 6.177 1.00 0.00 H new ATOM 0 HA GLN A 135 10.403 7.433 6.251 1.00 0.00 H new ATOM 0 HB2 GLN A 135 8.616 6.386 8.478 1.00 0.00 H new ATOM 0 HB3 GLN A 135 10.087 7.319 8.674 1.00 0.00 H new ATOM 0 HG2 GLN A 135 7.906 8.526 7.017 1.00 0.00 H new ATOM 0 HG3 GLN A 135 7.640 8.422 8.746 1.00 0.00 H new ATOM 0 HE21 GLN A 135 8.673 9.814 10.132 1.00 0.00 H new ATOM 0 HE22 GLN A 135 9.799 11.066 9.596 1.00 0.00 H new ATOM 2235 N GLU A 136 9.665 4.295 6.981 1.00 0.00 N ATOM 2236 CA GLU A 136 10.236 2.962 7.128 1.00 0.00 C ATOM 2237 C GLU A 136 10.619 2.371 5.774 1.00 0.00 C ATOM 2238 O GLU A 136 11.568 1.593 5.674 1.00 0.00 O ATOM 2239 CB GLU A 136 9.247 2.038 7.840 1.00 0.00 C ATOM 2240 CG GLU A 136 9.445 1.980 9.346 1.00 0.00 C ATOM 2241 CD GLU A 136 8.488 1.018 10.022 1.00 0.00 C ATOM 2242 OE1 GLU A 136 7.322 1.403 10.250 1.00 0.00 O ATOM 2243 OE2 GLU A 136 8.905 -0.120 10.324 1.00 0.00 O ATOM 0 H GLU A 136 8.647 4.327 7.041 1.00 0.00 H new ATOM 0 HA GLU A 136 11.141 3.050 7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 136 8.232 2.374 7.628 1.00 0.00 H new ATOM 0 HB3 GLU A 136 9.342 1.032 7.430 1.00 0.00 H new ATOM 0 HG2 GLU A 136 10.470 1.680 9.563 1.00 0.00 H new ATOM 0 HG3 GLU A 136 9.309 2.977 9.765 1.00 0.00 H new ATOM 2250 N ASP A 137 9.882 2.748 4.731 1.00 0.00 N ATOM 2251 CA ASP A 137 10.151 2.258 3.388 1.00 0.00 C ATOM 2252 C ASP A 137 11.600 2.513 3.012 1.00 0.00 C ATOM 2253 O ASP A 137 12.292 1.621 2.523 1.00 0.00 O ATOM 2254 CB ASP A 137 9.231 2.944 2.381 1.00 0.00 C ATOM 2255 CG ASP A 137 7.886 2.258 2.263 1.00 0.00 C ATOM 2256 OD1 ASP A 137 7.393 1.733 3.283 1.00 0.00 O ATOM 2257 OD2 ASP A 137 7.326 2.246 1.147 1.00 0.00 O ATOM 0 H ASP A 137 9.094 3.392 4.794 1.00 0.00 H new ATOM 0 HA ASP A 137 9.963 1.184 3.370 1.00 0.00 H new ATOM 0 HB2 ASP A 137 9.081 3.982 2.679 1.00 0.00 H new ATOM 0 HB3 ASP A 137 9.714 2.960 1.404 1.00 0.00 H new ATOM 2262 N GLN A 138 12.054 3.739 3.245 1.00 0.00 N ATOM 2263 CA GLN A 138 13.425 4.107 2.930 1.00 0.00 C ATOM 2264 C GLN A 138 14.390 3.462 3.915 1.00 0.00 C ATOM 2265 O GLN A 138 15.487 3.049 3.543 1.00 0.00 O ATOM 2266 CB GLN A 138 13.594 5.628 2.920 1.00 0.00 C ATOM 2267 CG GLN A 138 13.598 6.277 4.295 1.00 0.00 C ATOM 2268 CD GLN A 138 14.364 7.590 4.323 1.00 0.00 C ATOM 2269 OE1 GLN A 138 14.863 8.004 5.370 1.00 0.00 O ATOM 2270 NE2 GLN A 138 14.463 8.253 3.174 1.00 0.00 N ATOM 0 H GLN A 138 11.494 4.490 3.649 1.00 0.00 H new ATOM 0 HA GLN A 138 13.656 3.737 1.931 1.00 0.00 H new ATOM 0 HB2 GLN A 138 14.529 5.873 2.415 1.00 0.00 H new ATOM 0 HB3 GLN A 138 12.789 6.065 2.329 1.00 0.00 H new ATOM 0 HG2 GLN A 138 12.570 6.454 4.611 1.00 0.00 H new ATOM 0 HG3 GLN A 138 14.039 5.589 5.016 1.00 0.00 H new ATOM 0 HE21 GLN A 138 14.035 7.875 2.329 1.00 0.00 H new ATOM 0 HE22 GLN A 138 14.967 9.139 3.138 1.00 0.00 H new ATOM 2279 N GLN A 139 13.968 3.361 5.173 1.00 0.00 N ATOM 2280 CA GLN A 139 14.796 2.745 6.198 1.00 0.00 C ATOM 2281 C GLN A 139 15.134 1.319 5.785 1.00 0.00 C ATOM 2282 O GLN A 139 16.259 0.853 5.969 1.00 0.00 O ATOM 2283 CB GLN A 139 14.074 2.747 7.547 1.00 0.00 C ATOM 2284 CG GLN A 139 14.206 4.059 8.305 1.00 0.00 C ATOM 2285 CD GLN A 139 14.063 3.881 9.804 1.00 0.00 C ATOM 2286 OE1 GLN A 139 14.827 3.144 10.429 1.00 0.00 O ATOM 2287 NE2 GLN A 139 13.083 4.557 10.389 1.00 0.00 N ATOM 0 H GLN A 139 13.063 3.696 5.503 1.00 0.00 H new ATOM 0 HA GLN A 139 15.716 3.320 6.304 1.00 0.00 H new ATOM 0 HB2 GLN A 139 13.017 2.535 7.385 1.00 0.00 H new ATOM 0 HB3 GLN A 139 14.470 1.939 8.163 1.00 0.00 H new ATOM 0 HG2 GLN A 139 15.176 4.505 8.086 1.00 0.00 H new ATOM 0 HG3 GLN A 139 13.447 4.757 7.951 1.00 0.00 H new ATOM 0 HE21 GLN A 139 12.474 5.156 9.832 1.00 0.00 H new ATOM 0 HE22 GLN A 139 12.939 4.478 11.396 1.00 0.00 H new ATOM 2296 N ASP A 140 14.150 0.644 5.203 1.00 0.00 N ATOM 2297 CA ASP A 140 14.332 -0.722 4.734 1.00 0.00 C ATOM 2298 C ASP A 140 14.973 -0.726 3.349 1.00 0.00 C ATOM 2299 O ASP A 140 15.597 -1.704 2.951 1.00 0.00 O ATOM 2300 CB ASP A 140 12.990 -1.455 4.691 1.00 0.00 C ATOM 2301 CG ASP A 140 12.469 -1.795 6.075 1.00 0.00 C ATOM 2302 OD1 ASP A 140 13.077 -1.342 7.067 1.00 0.00 O ATOM 2303 OD2 ASP A 140 11.452 -2.515 6.165 1.00 0.00 O ATOM 0 H ASP A 140 13.216 1.022 5.045 1.00 0.00 H new ATOM 0 HA ASP A 140 14.992 -1.240 5.430 1.00 0.00 H new ATOM 0 HB2 ASP A 140 12.258 -0.836 4.173 1.00 0.00 H new ATOM 0 HB3 ASP A 140 13.099 -2.372 4.112 1.00 0.00 H new ATOM 2308 N ALA A 141 14.822 0.384 2.628 1.00 0.00 N ATOM 2309 CA ALA A 141 15.390 0.523 1.293 1.00 0.00 C ATOM 2310 C ALA A 141 16.881 0.812 1.380 1.00 0.00 C ATOM 2311 O ALA A 141 17.705 0.036 0.898 1.00 0.00 O ATOM 2312 CB ALA A 141 14.680 1.630 0.523 1.00 0.00 C ATOM 0 H ALA A 141 14.307 1.203 2.951 1.00 0.00 H new ATOM 0 HA ALA A 141 15.248 -0.416 0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 141 15.117 1.720 -0.471 1.00 0.00 H new ATOM 0 HB2 ALA A 141 13.621 1.389 0.433 1.00 0.00 H new ATOM 0 HB3 ALA A 141 14.794 2.574 1.056 1.00 0.00 H new ATOM 2318 N ASP A 142 17.221 1.929 2.018 1.00 0.00 N ATOM 2319 CA ASP A 142 18.614 2.313 2.187 1.00 0.00 C ATOM 2320 C ASP A 142 19.379 1.187 2.871 1.00 0.00 C ATOM 2321 O ASP A 142 20.555 0.957 2.590 1.00 0.00 O ATOM 2322 CB ASP A 142 18.718 3.601 3.008 1.00 0.00 C ATOM 2323 CG ASP A 142 19.636 4.623 2.365 1.00 0.00 C ATOM 2324 OD1 ASP A 142 19.310 5.099 1.257 1.00 0.00 O ATOM 2325 OD2 ASP A 142 20.680 4.947 2.970 1.00 0.00 O ATOM 0 H ASP A 142 16.550 2.581 2.425 1.00 0.00 H new ATOM 0 HA ASP A 142 19.052 2.496 1.206 1.00 0.00 H new ATOM 0 HB2 ASP A 142 17.725 4.033 3.128 1.00 0.00 H new ATOM 0 HB3 ASP A 142 19.085 3.364 4.006 1.00 0.00 H new ATOM 2330 N GLU A 143 18.690 0.478 3.761 1.00 0.00 N ATOM 2331 CA GLU A 143 19.290 -0.636 4.476 1.00 0.00 C ATOM 2332 C GLU A 143 19.302 -1.884 3.602 1.00 0.00 C ATOM 2333 O GLU A 143 20.236 -2.681 3.659 1.00 0.00 O ATOM 2334 CB GLU A 143 18.530 -0.913 5.774 1.00 0.00 C ATOM 2335 CG GLU A 143 18.747 0.146 6.843 1.00 0.00 C ATOM 2336 CD GLU A 143 19.916 -0.175 7.754 1.00 0.00 C ATOM 2337 OE1 GLU A 143 21.065 0.133 7.376 1.00 0.00 O ATOM 2338 OE2 GLU A 143 19.681 -0.737 8.845 1.00 0.00 O ATOM 0 H GLU A 143 17.715 0.658 4.002 1.00 0.00 H new ATOM 0 HA GLU A 143 20.318 -0.370 4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 143 17.465 -0.982 5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 143 18.838 -1.882 6.166 1.00 0.00 H new ATOM 0 HG2 GLU A 143 18.918 1.110 6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 143 17.841 0.244 7.441 1.00 0.00 H new ATOM 2345 N ASP A 144 18.259 -2.049 2.788 1.00 0.00 N ATOM 2346 CA ASP A 144 18.168 -3.209 1.902 1.00 0.00 C ATOM 2347 C ASP A 144 19.370 -3.274 0.967 1.00 0.00 C ATOM 2348 O ASP A 144 20.149 -4.225 1.004 1.00 0.00 O ATOM 2349 CB ASP A 144 16.879 -3.165 1.078 1.00 0.00 C ATOM 2350 CG ASP A 144 15.799 -4.067 1.643 1.00 0.00 C ATOM 2351 OD1 ASP A 144 15.894 -4.431 2.835 1.00 0.00 O ATOM 2352 OD2 ASP A 144 14.860 -4.410 0.894 1.00 0.00 O ATOM 0 H ASP A 144 17.473 -1.402 2.724 1.00 0.00 H new ATOM 0 HA ASP A 144 18.158 -4.102 2.527 1.00 0.00 H new ATOM 0 HB2 ASP A 144 16.510 -2.140 1.041 1.00 0.00 H new ATOM 0 HB3 ASP A 144 17.097 -3.462 0.052 1.00 0.00 H new ATOM 2357 N ARG A 145 19.510 -2.255 0.124 1.00 0.00 N ATOM 2358 CA ARG A 145 20.613 -2.197 -0.829 1.00 0.00 C ATOM 2359 C ARG A 145 21.960 -2.303 -0.118 1.00 0.00 C ATOM 2360 O ARG A 145 22.858 -3.017 -0.566 1.00 0.00 O ATOM 2361 CB ARG A 145 20.555 -0.906 -1.654 1.00 0.00 C ATOM 2362 CG ARG A 145 20.108 0.314 -0.864 1.00 0.00 C ATOM 2363 CD ARG A 145 20.639 1.599 -1.478 1.00 0.00 C ATOM 2364 NE ARG A 145 21.059 2.561 -0.461 1.00 0.00 N ATOM 2365 CZ ARG A 145 21.562 3.762 -0.739 1.00 0.00 C ATOM 2366 NH1 ARG A 145 21.706 4.153 -1.998 1.00 0.00 N ATOM 2367 NH2 ARG A 145 21.919 4.574 0.246 1.00 0.00 N ATOM 0 H ARG A 145 18.874 -1.459 0.082 1.00 0.00 H new ATOM 0 HA ARG A 145 20.511 -3.047 -1.503 1.00 0.00 H new ATOM 0 HB2 ARG A 145 21.541 -0.712 -2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 145 19.874 -1.053 -2.492 1.00 0.00 H new ATOM 0 HG2 ARG A 145 19.019 0.348 -0.830 1.00 0.00 H new ATOM 0 HG3 ARG A 145 20.456 0.230 0.165 1.00 0.00 H new ATOM 0 HD2 ARG A 145 21.483 1.368 -2.128 1.00 0.00 H new ATOM 0 HD3 ARG A 145 19.867 2.047 -2.104 1.00 0.00 H new ATOM 0 HE ARG A 145 20.961 2.297 0.519 1.00 0.00 H new ATOM 0 HH11 ARG A 145 21.431 3.533 -2.759 1.00 0.00 H new ATOM 0 HH12 ARG A 145 22.092 5.074 -2.205 1.00 0.00 H new ATOM 0 HH21 ARG A 145 21.808 4.279 1.216 1.00 0.00 H new ATOM 0 HH22 ARG A 145 22.304 5.494 0.034 1.00 0.00 H new