USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1145 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 131 HIS :FLIP no HD1:sc= -1.54 F(o=-2.6,f=-1.8) USER MOD Set 1.2: A 134 HIS : no HD1:sc= -0.217 X(o=-1.8,f=-1.8) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0184 X(o=-0.018,f=-0.29) USER MOD Single : A 22 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0306) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 157:sc= 1.28 (180deg=1.1) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 22:sc= 0.662 USER MOD Single : A 37 GLN : amide:sc=-0.00351 X(o=-0.0035,f=-0.48) USER MOD Single : A 42 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.14) USER MOD Single : A 56 ASN : amide:sc= 0.808 K(o=0.81,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -65:sc= 1.27 USER MOD Single : A 68 MET CE :methyl 178:sc= 0 (180deg=-0.00681) USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -178:sc= -0.137 (180deg=-0.15) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -81:sc= 0.512 USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 166:sc= -0.0889 (180deg=-0.661) USER MOD Single : A 90 LYS NZ :NH3+ -176:sc= 0.243 (180deg=0.239) USER MOD Single : A 91 HIS :FLIP no HD1:sc= -2.53 F(o=-3.5,f=-2.5) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HE2:sc= -0.448 X(o=-0.45,f=-0.94) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -129:sc= 0.57 (180deg=-0.724) USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.179 USER MOD Single : A 132 HIS : no HD1:sc= -0.226 X(o=-0.23,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -1.220 13.668 22.906 1.00 0.00 N ATOM 2 CA PRO A 1 -0.211 13.085 23.801 1.00 0.00 C ATOM 3 C PRO A 1 0.856 12.346 22.997 1.00 0.00 C ATOM 4 O PRO A 1 0.837 11.115 22.885 1.00 0.00 O ATOM 5 CB PRO A 1 -0.970 12.204 24.806 1.00 0.00 C ATOM 6 CG PRO A 1 -2.268 11.843 24.075 1.00 0.00 C ATOM 7 CD PRO A 1 -2.529 13.079 23.212 1.00 0.00 C ATOM 0 H2 PRO A 1 -0.972 13.490 21.933 1.00 0.00 H new ATOM 0 H3 PRO A 1 -1.253 14.681 23.025 1.00 0.00 H new ATOM 0 HA PRO A 1 0.342 13.844 24.354 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -0.398 11.314 25.068 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -1.170 12.739 25.734 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -2.154 10.944 23.469 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -3.085 11.657 24.771 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -3.054 12.807 22.296 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -3.160 13.793 23.741 1.00 0.00 H new ATOM 15 N ALA A 2 1.785 13.110 22.415 1.00 0.00 N ATOM 16 CA ALA A 2 2.877 12.563 21.628 1.00 0.00 C ATOM 17 C ALA A 2 3.863 11.832 22.545 1.00 0.00 C ATOM 18 O ALA A 2 3.742 11.889 23.771 1.00 0.00 O ATOM 19 CB ALA A 2 3.558 13.697 20.862 1.00 0.00 C ATOM 0 H ALA A 2 1.795 14.128 22.481 1.00 0.00 H new ATOM 0 HA ALA A 2 2.496 11.840 20.907 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.379 13.294 20.269 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.835 14.176 20.202 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.947 14.431 21.568 1.00 0.00 H new ATOM 25 N ALA A 3 4.841 11.138 21.964 1.00 0.00 N ATOM 26 CA ALA A 3 5.848 10.392 22.701 1.00 0.00 C ATOM 27 C ALA A 3 7.205 10.673 22.072 1.00 0.00 C ATOM 28 O ALA A 3 7.476 10.184 20.973 1.00 0.00 O ATOM 29 CB ALA A 3 5.511 8.895 22.689 1.00 0.00 C ATOM 0 H ALA A 3 4.954 11.080 20.952 1.00 0.00 H new ATOM 0 HA ALA A 3 5.871 10.705 23.745 1.00 0.00 H new ATOM 0 HB1 ALA A 3 6.272 8.346 23.244 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.538 8.737 23.155 1.00 0.00 H new ATOM 0 HB3 ALA A 3 5.483 8.537 21.660 1.00 0.00 H new ATOM 35 N SER A 4 8.037 11.481 22.731 1.00 0.00 N ATOM 36 CA SER A 4 9.358 11.836 22.236 1.00 0.00 C ATOM 37 C SER A 4 10.299 12.145 23.409 1.00 0.00 C ATOM 38 O SER A 4 10.590 13.310 23.682 1.00 0.00 O ATOM 39 CB SER A 4 9.189 12.998 21.249 1.00 0.00 C ATOM 40 OG SER A 4 10.366 13.352 20.556 1.00 0.00 O ATOM 0 H SER A 4 7.807 11.908 23.628 1.00 0.00 H new ATOM 0 HA SER A 4 9.827 11.009 21.703 1.00 0.00 H new ATOM 0 HB2 SER A 4 8.421 12.733 20.523 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.826 13.870 21.793 1.00 0.00 H new ATOM 0 HG SER A 4 10.176 14.096 19.948 1.00 0.00 H new ATOM 46 N PRO A 5 10.791 11.123 24.129 1.00 0.00 N ATOM 47 CA PRO A 5 11.705 11.308 25.249 1.00 0.00 C ATOM 48 C PRO A 5 13.137 11.474 24.706 1.00 0.00 C ATOM 49 O PRO A 5 14.036 10.723 25.086 1.00 0.00 O ATOM 50 CB PRO A 5 11.507 10.040 26.089 1.00 0.00 C ATOM 51 CG PRO A 5 11.288 8.963 25.025 1.00 0.00 C ATOM 52 CD PRO A 5 10.522 9.704 23.926 1.00 0.00 C ATOM 0 HA PRO A 5 11.523 12.198 25.852 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.377 9.825 26.709 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.652 10.127 26.759 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.233 8.563 24.657 1.00 0.00 H new ATOM 0 HG3 PRO A 5 10.716 8.121 25.416 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.851 9.383 22.938 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.454 9.497 23.989 1.00 0.00 H new ATOM 60 N SER A 6 13.368 12.381 23.752 1.00 0.00 N ATOM 61 CA SER A 6 14.681 12.615 23.161 1.00 0.00 C ATOM 62 C SER A 6 14.872 14.095 22.835 1.00 0.00 C ATOM 63 O SER A 6 13.936 14.892 22.932 1.00 0.00 O ATOM 64 CB SER A 6 14.855 11.721 21.923 1.00 0.00 C ATOM 65 OG SER A 6 16.195 11.278 21.825 1.00 0.00 O ATOM 0 H SER A 6 12.637 12.979 23.367 1.00 0.00 H new ATOM 0 HA SER A 6 15.456 12.349 23.880 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.185 10.864 21.987 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.580 12.274 21.025 1.00 0.00 H new ATOM 0 HG SER A 6 16.294 10.708 21.034 1.00 0.00 H new ATOM 71 N ALA A 7 16.104 14.460 22.481 1.00 0.00 N ATOM 72 CA ALA A 7 16.464 15.827 22.154 1.00 0.00 C ATOM 73 C ALA A 7 15.999 16.219 20.749 1.00 0.00 C ATOM 74 O ALA A 7 15.982 15.392 19.833 1.00 0.00 O ATOM 75 CB ALA A 7 17.982 15.984 22.280 1.00 0.00 C ATOM 0 H ALA A 7 16.883 13.804 22.415 1.00 0.00 H new ATOM 0 HA ALA A 7 15.961 16.495 22.853 1.00 0.00 H new ATOM 0 HB1 ALA A 7 18.263 17.008 22.036 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.288 15.757 23.301 1.00 0.00 H new ATOM 0 HB3 ALA A 7 18.477 15.298 21.592 1.00 0.00 H new ATOM 81 N LEU A 8 15.709 17.507 20.560 1.00 0.00 N ATOM 82 CA LEU A 8 15.261 18.126 19.311 1.00 0.00 C ATOM 83 C LEU A 8 16.270 19.225 18.980 1.00 0.00 C ATOM 84 O LEU A 8 16.374 20.211 19.706 1.00 0.00 O ATOM 85 CB LEU A 8 13.812 18.646 19.406 1.00 0.00 C ATOM 86 CG LEU A 8 13.474 19.489 20.660 1.00 0.00 C ATOM 87 CD1 LEU A 8 12.663 20.733 20.283 1.00 0.00 C ATOM 88 CD2 LEU A 8 12.693 18.661 21.688 1.00 0.00 C ATOM 0 H LEU A 8 15.785 18.185 21.318 1.00 0.00 H new ATOM 0 HA LEU A 8 15.230 17.394 18.504 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.604 19.248 18.521 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.137 17.790 19.375 1.00 0.00 H new ATOM 0 HG LEU A 8 14.419 19.803 21.104 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.439 21.307 21.182 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.241 21.349 19.594 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.732 20.429 19.805 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.469 19.278 22.558 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.762 18.311 21.242 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.292 17.804 21.996 1.00 0.00 H new ATOM 100 N LYS A 9 17.068 19.034 17.928 1.00 0.00 N ATOM 101 CA LYS A 9 18.100 19.976 17.511 1.00 0.00 C ATOM 102 C LYS A 9 18.139 20.109 15.989 1.00 0.00 C ATOM 103 O LYS A 9 18.082 19.107 15.272 1.00 0.00 O ATOM 104 CB LYS A 9 19.456 19.517 18.090 1.00 0.00 C ATOM 105 CG LYS A 9 19.793 18.025 17.882 1.00 0.00 C ATOM 106 CD LYS A 9 19.307 17.073 18.994 1.00 0.00 C ATOM 107 CE LYS A 9 18.686 15.776 18.448 1.00 0.00 C ATOM 108 NZ LYS A 9 19.599 14.992 17.593 1.00 0.00 N ATOM 0 H LYS A 9 17.012 18.206 17.335 1.00 0.00 H new ATOM 0 HA LYS A 9 17.873 20.969 17.899 1.00 0.00 H new ATOM 0 HB2 LYS A 9 20.246 20.117 17.639 1.00 0.00 H new ATOM 0 HB3 LYS A 9 19.466 19.729 19.159 1.00 0.00 H new ATOM 0 HG2 LYS A 9 19.360 17.701 16.936 1.00 0.00 H new ATOM 0 HG3 LYS A 9 20.874 17.924 17.789 1.00 0.00 H new ATOM 0 HD2 LYS A 9 20.147 16.822 19.642 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.572 17.590 19.611 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.366 15.156 19.286 1.00 0.00 H new ATOM 0 HE3 LYS A 9 17.792 16.025 17.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 19.114 14.134 17.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.886 15.565 16.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 20.442 14.724 18.140 1.00 0.00 H new ATOM 122 N GLY A 10 18.355 21.328 15.500 1.00 0.00 N ATOM 123 CA GLY A 10 18.412 21.659 14.082 1.00 0.00 C ATOM 124 C GLY A 10 17.099 22.318 13.679 1.00 0.00 C ATOM 125 O GLY A 10 16.084 22.135 14.350 1.00 0.00 O ATOM 0 H GLY A 10 18.500 22.138 16.102 1.00 0.00 H new ATOM 0 HA2 GLY A 10 19.248 22.330 13.884 1.00 0.00 H new ATOM 0 HA3 GLY A 10 18.580 20.759 13.491 1.00 0.00 H new ATOM 129 N VAL A 11 17.093 23.059 12.574 1.00 0.00 N ATOM 130 CA VAL A 11 15.902 23.760 12.087 1.00 0.00 C ATOM 131 C VAL A 11 15.758 23.649 10.565 1.00 0.00 C ATOM 132 O VAL A 11 15.106 24.458 9.908 1.00 0.00 O ATOM 133 CB VAL A 11 15.941 25.194 12.677 1.00 0.00 C ATOM 134 CG1 VAL A 11 16.989 26.091 11.998 1.00 0.00 C ATOM 135 CG2 VAL A 11 14.576 25.886 12.713 1.00 0.00 C ATOM 0 H VAL A 11 17.916 23.192 11.987 1.00 0.00 H new ATOM 0 HA VAL A 11 14.979 23.296 12.435 1.00 0.00 H new ATOM 0 HB VAL A 11 16.246 25.050 13.713 1.00 0.00 H new ATOM 0 HG11 VAL A 11 16.970 27.081 12.453 1.00 0.00 H new ATOM 0 HG12 VAL A 11 17.979 25.653 12.124 1.00 0.00 H new ATOM 0 HG13 VAL A 11 16.762 26.175 10.935 1.00 0.00 H new ATOM 0 HG21 VAL A 11 14.685 26.884 13.138 1.00 0.00 H new ATOM 0 HG22 VAL A 11 14.181 25.964 11.700 1.00 0.00 H new ATOM 0 HG23 VAL A 11 13.889 25.303 13.326 1.00 0.00 H new ATOM 145 N SER A 12 16.386 22.643 9.966 1.00 0.00 N ATOM 146 CA SER A 12 16.374 22.397 8.523 1.00 0.00 C ATOM 147 C SER A 12 15.076 21.769 8.007 1.00 0.00 C ATOM 148 O SER A 12 15.078 21.171 6.934 1.00 0.00 O ATOM 149 CB SER A 12 17.593 21.550 8.140 1.00 0.00 C ATOM 150 OG SER A 12 18.793 22.163 8.583 1.00 0.00 O ATOM 0 H SER A 12 16.934 21.955 10.483 1.00 0.00 H new ATOM 0 HA SER A 12 16.428 23.370 8.034 1.00 0.00 H new ATOM 0 HB2 SER A 12 17.503 20.557 8.579 1.00 0.00 H new ATOM 0 HB3 SER A 12 17.625 21.419 7.058 1.00 0.00 H new ATOM 0 HG SER A 12 19.558 21.605 8.330 1.00 0.00 H new ATOM 156 N GLN A 13 13.983 21.855 8.759 1.00 0.00 N ATOM 157 CA GLN A 13 12.675 21.309 8.411 1.00 0.00 C ATOM 158 C GLN A 13 12.226 21.786 7.024 1.00 0.00 C ATOM 159 O GLN A 13 12.167 20.985 6.089 1.00 0.00 O ATOM 160 CB GLN A 13 11.690 21.607 9.552 1.00 0.00 C ATOM 161 CG GLN A 13 11.524 23.091 9.943 1.00 0.00 C ATOM 162 CD GLN A 13 11.284 23.279 11.439 1.00 0.00 C ATOM 163 OE1 GLN A 13 10.772 22.402 12.135 1.00 0.00 O ATOM 164 NE2 GLN A 13 11.664 24.416 11.986 1.00 0.00 N ATOM 0 H GLN A 13 13.984 22.326 9.664 1.00 0.00 H new ATOM 0 HA GLN A 13 12.721 20.224 8.316 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.712 21.216 9.271 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.012 21.055 10.435 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.417 23.643 9.650 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.689 23.518 9.388 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.088 25.143 11.409 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.534 24.569 12.986 1.00 0.00 H new ATOM 173 N ALA A 14 11.983 23.092 6.880 1.00 0.00 N ATOM 174 CA ALA A 14 11.556 23.695 5.622 1.00 0.00 C ATOM 175 C ALA A 14 12.695 23.735 4.606 1.00 0.00 C ATOM 176 O ALA A 14 12.469 23.880 3.406 1.00 0.00 O ATOM 177 CB ALA A 14 11.061 25.113 5.889 1.00 0.00 C ATOM 0 H ALA A 14 12.079 23.763 7.642 1.00 0.00 H new ATOM 0 HA ALA A 14 10.754 23.086 5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.740 25.569 4.952 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.221 25.081 6.583 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.867 25.704 6.323 1.00 0.00 H new ATOM 183 N LEU A 15 13.939 23.609 5.073 1.00 0.00 N ATOM 184 CA LEU A 15 15.094 23.629 4.198 1.00 0.00 C ATOM 185 C LEU A 15 14.980 22.487 3.190 1.00 0.00 C ATOM 186 O LEU A 15 15.281 22.692 2.019 1.00 0.00 O ATOM 187 CB LEU A 15 16.387 23.560 5.019 1.00 0.00 C ATOM 188 CG LEU A 15 17.579 24.208 4.297 1.00 0.00 C ATOM 189 CD1 LEU A 15 17.497 25.740 4.343 1.00 0.00 C ATOM 190 CD2 LEU A 15 18.879 23.756 4.971 1.00 0.00 C ATOM 0 H LEU A 15 14.164 23.492 6.061 1.00 0.00 H new ATOM 0 HA LEU A 15 15.127 24.566 3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.232 24.058 5.976 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.621 22.518 5.236 1.00 0.00 H new ATOM 0 HG LEU A 15 17.558 23.895 3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 15 18.355 26.166 3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 15 16.578 26.070 3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 15 17.499 26.073 5.381 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.729 24.212 4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.873 24.063 6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.961 22.671 4.912 1.00 0.00 H new ATOM 202 N LEU A 16 14.519 21.302 3.610 1.00 0.00 N ATOM 203 CA LEU A 16 14.363 20.154 2.714 1.00 0.00 C ATOM 204 C LEU A 16 13.231 20.366 1.698 1.00 0.00 C ATOM 205 O LEU A 16 13.214 19.672 0.678 1.00 0.00 O ATOM 206 CB LEU A 16 14.075 18.865 3.510 1.00 0.00 C ATOM 207 CG LEU A 16 15.336 18.076 3.902 1.00 0.00 C ATOM 208 CD1 LEU A 16 16.143 18.785 4.992 1.00 0.00 C ATOM 209 CD2 LEU A 16 14.947 16.687 4.409 1.00 0.00 C ATOM 0 H LEU A 16 14.246 21.115 4.575 1.00 0.00 H new ATOM 0 HA LEU A 16 15.306 20.055 2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.525 19.124 4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.426 18.221 2.916 1.00 0.00 H new ATOM 0 HG LEU A 16 15.955 17.999 3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 16 17.024 18.192 5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.455 19.766 4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.526 18.903 5.883 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.846 16.135 4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 16 14.301 16.786 5.281 1.00 0.00 H new ATOM 0 HD23 LEU A 16 14.417 16.148 3.624 1.00 0.00 H new ATOM 221 N GLU A 17 12.285 21.268 1.968 1.00 0.00 N ATOM 222 CA GLU A 17 11.141 21.566 1.104 1.00 0.00 C ATOM 223 C GLU A 17 11.607 22.448 -0.048 1.00 0.00 C ATOM 224 O GLU A 17 11.235 22.243 -1.206 1.00 0.00 O ATOM 225 CB GLU A 17 10.022 22.262 1.901 1.00 0.00 C ATOM 226 CG GLU A 17 9.502 21.397 3.066 1.00 0.00 C ATOM 227 CD GLU A 17 8.567 22.120 4.043 1.00 0.00 C ATOM 228 OE1 GLU A 17 8.433 23.366 4.005 1.00 0.00 O ATOM 229 OE2 GLU A 17 8.057 21.417 4.948 1.00 0.00 O ATOM 0 H GLU A 17 12.294 21.828 2.820 1.00 0.00 H new ATOM 0 HA GLU A 17 10.735 20.635 0.708 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.394 23.208 2.293 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.196 22.498 1.231 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.976 20.536 2.653 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.357 21.012 3.622 1.00 0.00 H new ATOM 236 N ARG A 18 12.458 23.429 0.254 1.00 0.00 N ATOM 237 CA ARG A 18 12.986 24.314 -0.773 1.00 0.00 C ATOM 238 C ARG A 18 14.109 23.602 -1.525 1.00 0.00 C ATOM 239 O ARG A 18 14.135 23.654 -2.752 1.00 0.00 O ATOM 240 CB ARG A 18 13.228 25.719 -0.217 1.00 0.00 C ATOM 241 CG ARG A 18 14.170 25.887 0.986 1.00 0.00 C ATOM 242 CD ARG A 18 15.558 26.390 0.590 1.00 0.00 C ATOM 243 NE ARG A 18 15.483 27.698 -0.095 1.00 0.00 N ATOM 244 CZ ARG A 18 15.309 28.906 0.460 1.00 0.00 C ATOM 245 NH1 ARG A 18 15.357 29.098 1.774 1.00 0.00 N ATOM 246 NH2 ARG A 18 15.071 29.963 -0.302 1.00 0.00 N ATOM 0 H ARG A 18 12.792 23.627 1.197 1.00 0.00 H new ATOM 0 HA ARG A 18 12.263 24.527 -1.560 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.617 26.333 -1.029 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.260 26.135 0.061 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.725 26.585 1.695 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.269 24.931 1.500 1.00 0.00 H new ATOM 0 HD2 ARG A 18 16.182 26.479 1.479 1.00 0.00 H new ATOM 0 HD3 ARG A 18 16.037 25.662 -0.064 1.00 0.00 H new ATOM 0 HE ARG A 18 15.575 27.679 -1.111 1.00 0.00 H new ATOM 0 HH11 ARG A 18 15.531 28.311 2.398 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.220 30.033 2.158 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.019 29.860 -1.315 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.939 30.880 0.125 1.00 0.00 H new ATOM 260 N ILE A 19 14.994 22.874 -0.831 1.00 0.00 N ATOM 261 CA ILE A 19 16.093 22.114 -1.438 1.00 0.00 C ATOM 262 C ILE A 19 15.513 21.144 -2.476 1.00 0.00 C ATOM 263 O ILE A 19 16.087 21.034 -3.557 1.00 0.00 O ATOM 264 CB ILE A 19 16.924 21.398 -0.334 1.00 0.00 C ATOM 265 CG1 ILE A 19 17.879 22.423 0.325 1.00 0.00 C ATOM 266 CG2 ILE A 19 17.751 20.175 -0.783 1.00 0.00 C ATOM 267 CD1 ILE A 19 18.610 21.889 1.566 1.00 0.00 C ATOM 0 H ILE A 19 14.965 22.796 0.186 1.00 0.00 H new ATOM 0 HA ILE A 19 16.782 22.781 -1.957 1.00 0.00 H new ATOM 0 HB ILE A 19 16.180 21.002 0.357 1.00 0.00 H new ATOM 0 HG12 ILE A 19 18.618 22.740 -0.411 1.00 0.00 H new ATOM 0 HG13 ILE A 19 17.308 23.308 0.605 1.00 0.00 H new ATOM 0 HG21 ILE A 19 18.285 19.763 0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.085 19.417 -1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 19 18.468 20.480 -1.545 1.00 0.00 H new ATOM 0 HD11 ILE A 19 19.259 22.667 1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 19 17.880 21.599 2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 19 19.210 21.022 1.290 1.00 0.00 H new ATOM 279 N ARG A 20 14.376 20.489 -2.194 1.00 0.00 N ATOM 280 CA ARG A 20 13.721 19.541 -3.097 1.00 0.00 C ATOM 281 C ARG A 20 13.660 20.064 -4.530 1.00 0.00 C ATOM 282 O ARG A 20 14.124 19.390 -5.448 1.00 0.00 O ATOM 283 CB ARG A 20 12.331 19.191 -2.520 1.00 0.00 C ATOM 284 CG ARG A 20 11.309 18.568 -3.482 1.00 0.00 C ATOM 285 CD ARG A 20 11.810 17.299 -4.165 1.00 0.00 C ATOM 286 NE ARG A 20 11.967 16.179 -3.225 1.00 0.00 N ATOM 287 CZ ARG A 20 12.576 15.021 -3.499 1.00 0.00 C ATOM 288 NH1 ARG A 20 13.042 14.777 -4.723 1.00 0.00 N ATOM 289 NH2 ARG A 20 12.728 14.131 -2.525 1.00 0.00 N ATOM 0 H ARG A 20 13.879 20.609 -1.312 1.00 0.00 H new ATOM 0 HA ARG A 20 14.311 18.626 -3.159 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.474 18.503 -1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.896 20.102 -2.109 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.397 18.339 -2.931 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.045 19.301 -4.244 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.112 17.014 -4.952 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.767 17.502 -4.646 1.00 0.00 H new ATOM 0 HE ARG A 20 11.580 16.295 -2.288 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.935 15.476 -5.458 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.506 13.891 -4.925 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.383 14.337 -1.588 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.190 13.242 -2.714 1.00 0.00 H new ATOM 303 N ALA A 21 13.080 21.245 -4.719 1.00 0.00 N ATOM 304 CA ALA A 21 12.948 21.846 -6.029 1.00 0.00 C ATOM 305 C ALA A 21 14.210 22.589 -6.462 1.00 0.00 C ATOM 306 O ALA A 21 14.493 22.667 -7.657 1.00 0.00 O ATOM 307 CB ALA A 21 11.793 22.836 -5.978 1.00 0.00 C ATOM 0 H ALA A 21 12.690 21.808 -3.963 1.00 0.00 H new ATOM 0 HA ALA A 21 12.773 21.049 -6.752 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.672 23.304 -6.955 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.876 22.311 -5.711 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.003 23.602 -5.232 1.00 0.00 H new ATOM 313 N LYS A 22 14.975 23.154 -5.524 1.00 0.00 N ATOM 314 CA LYS A 22 16.184 23.907 -5.874 1.00 0.00 C ATOM 315 C LYS A 22 17.246 23.006 -6.480 1.00 0.00 C ATOM 316 O LYS A 22 17.937 23.381 -7.428 1.00 0.00 O ATOM 317 CB LYS A 22 16.736 24.692 -4.683 1.00 0.00 C ATOM 318 CG LYS A 22 17.134 26.071 -5.219 1.00 0.00 C ATOM 319 CD LYS A 22 17.827 26.902 -4.154 1.00 0.00 C ATOM 320 CE LYS A 22 17.722 28.420 -4.397 1.00 0.00 C ATOM 321 NZ LYS A 22 18.045 28.834 -5.783 1.00 0.00 N ATOM 0 H LYS A 22 14.781 23.106 -4.524 1.00 0.00 H new ATOM 0 HA LYS A 22 15.895 24.635 -6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 22 15.986 24.783 -3.897 1.00 0.00 H new ATOM 0 HB3 LYS A 22 17.595 24.182 -4.247 1.00 0.00 H new ATOM 0 HG2 LYS A 22 17.796 25.952 -6.077 1.00 0.00 H new ATOM 0 HG3 LYS A 22 16.246 26.596 -5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 22 17.394 26.667 -3.182 1.00 0.00 H new ATOM 0 HD3 LYS A 22 18.879 26.620 -4.112 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.710 28.746 -4.158 1.00 0.00 H new ATOM 0 HE3 LYS A 22 18.393 28.935 -3.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.052 29.872 -5.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.982 28.466 -6.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.329 28.454 -6.435 1.00 0.00 H new ATOM 335 N GLU A 23 17.389 21.806 -5.938 1.00 0.00 N ATOM 336 CA GLU A 23 18.374 20.847 -6.405 1.00 0.00 C ATOM 337 C GLU A 23 18.024 20.277 -7.779 1.00 0.00 C ATOM 338 O GLU A 23 18.869 19.597 -8.358 1.00 0.00 O ATOM 339 CB GLU A 23 18.702 19.791 -5.345 1.00 0.00 C ATOM 340 CG GLU A 23 19.381 20.444 -4.129 1.00 0.00 C ATOM 341 CD GLU A 23 20.358 19.495 -3.431 1.00 0.00 C ATOM 342 OE1 GLU A 23 19.935 18.433 -2.908 1.00 0.00 O ATOM 343 OE2 GLU A 23 21.579 19.779 -3.479 1.00 0.00 O ATOM 0 H GLU A 23 16.822 21.470 -5.159 1.00 0.00 H new ATOM 0 HA GLU A 23 19.308 21.388 -6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 23 17.789 19.285 -5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 23 19.357 19.031 -5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 23 19.914 21.339 -4.450 1.00 0.00 H new ATOM 0 HG3 GLU A 23 18.619 20.765 -3.419 1.00 0.00 H new ATOM 350 N VAL A 24 16.829 20.534 -8.330 1.00 0.00 N ATOM 351 CA VAL A 24 16.479 20.032 -9.658 1.00 0.00 C ATOM 352 C VAL A 24 17.467 20.608 -10.689 1.00 0.00 C ATOM 353 O VAL A 24 17.793 19.972 -11.688 1.00 0.00 O ATOM 354 CB VAL A 24 14.982 20.290 -9.955 1.00 0.00 C ATOM 355 CG1 VAL A 24 14.694 21.645 -10.616 1.00 0.00 C ATOM 356 CG2 VAL A 24 14.407 19.180 -10.843 1.00 0.00 C ATOM 0 H VAL A 24 16.097 21.082 -7.878 1.00 0.00 H new ATOM 0 HA VAL A 24 16.585 18.949 -9.715 1.00 0.00 H new ATOM 0 HB VAL A 24 14.499 20.299 -8.978 1.00 0.00 H new ATOM 0 HG11 VAL A 24 13.623 21.745 -10.789 1.00 0.00 H new ATOM 0 HG12 VAL A 24 15.032 22.448 -9.961 1.00 0.00 H new ATOM 0 HG13 VAL A 24 15.223 21.705 -11.567 1.00 0.00 H new ATOM 0 HG21 VAL A 24 13.354 19.380 -11.040 1.00 0.00 H new ATOM 0 HG22 VAL A 24 14.953 19.149 -11.786 1.00 0.00 H new ATOM 0 HG23 VAL A 24 14.505 18.220 -10.335 1.00 0.00 H new ATOM 366 N GLN A 25 18.025 21.789 -10.414 1.00 0.00 N ATOM 367 CA GLN A 25 18.985 22.466 -11.271 1.00 0.00 C ATOM 368 C GLN A 25 20.398 21.879 -11.102 1.00 0.00 C ATOM 369 O GLN A 25 21.265 22.144 -11.926 1.00 0.00 O ATOM 370 CB GLN A 25 18.944 23.970 -10.957 1.00 0.00 C ATOM 371 CG GLN A 25 17.517 24.530 -11.111 1.00 0.00 C ATOM 372 CD GLN A 25 17.463 26.028 -10.814 1.00 0.00 C ATOM 373 OE1 GLN A 25 17.610 26.450 -9.670 1.00 0.00 O ATOM 374 NE2 GLN A 25 17.233 26.878 -11.801 1.00 0.00 N ATOM 0 H GLN A 25 17.812 22.311 -9.564 1.00 0.00 H new ATOM 0 HA GLN A 25 18.718 22.314 -12.317 1.00 0.00 H new ATOM 0 HB2 GLN A 25 19.298 24.142 -9.941 1.00 0.00 H new ATOM 0 HB3 GLN A 25 19.621 24.503 -11.625 1.00 0.00 H new ATOM 0 HG2 GLN A 25 17.162 24.347 -12.125 1.00 0.00 H new ATOM 0 HG3 GLN A 25 16.844 24.001 -10.437 1.00 0.00 H new ATOM 0 HE21 GLN A 25 17.110 26.533 -12.753 1.00 0.00 H new ATOM 0 HE22 GLN A 25 17.179 27.879 -11.610 1.00 0.00 H new ATOM 383 N LYS A 26 20.648 21.090 -10.048 1.00 0.00 N ATOM 384 CA LYS A 26 21.939 20.457 -9.765 1.00 0.00 C ATOM 385 C LYS A 26 21.982 19.000 -10.215 1.00 0.00 C ATOM 386 O LYS A 26 23.059 18.410 -10.198 1.00 0.00 O ATOM 387 CB LYS A 26 22.234 20.484 -8.262 1.00 0.00 C ATOM 388 CG LYS A 26 22.507 21.886 -7.701 1.00 0.00 C ATOM 389 CD LYS A 26 22.679 21.819 -6.177 1.00 0.00 C ATOM 390 CE LYS A 26 23.878 20.950 -5.762 1.00 0.00 C ATOM 391 NZ LYS A 26 23.963 20.783 -4.294 1.00 0.00 N ATOM 0 H LYS A 26 19.937 20.870 -9.351 1.00 0.00 H new ATOM 0 HA LYS A 26 22.683 21.027 -10.321 1.00 0.00 H new ATOM 0 HB2 LYS A 26 21.388 20.050 -7.729 1.00 0.00 H new ATOM 0 HB3 LYS A 26 23.097 19.850 -8.061 1.00 0.00 H new ATOM 0 HG2 LYS A 26 23.405 22.301 -8.158 1.00 0.00 H new ATOM 0 HG3 LYS A 26 21.683 22.554 -7.953 1.00 0.00 H new ATOM 0 HD2 LYS A 26 22.811 22.827 -5.784 1.00 0.00 H new ATOM 0 HD3 LYS A 26 21.770 21.418 -5.728 1.00 0.00 H new ATOM 0 HE2 LYS A 26 23.796 19.971 -6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 26 24.799 21.404 -6.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 24.502 19.921 -4.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 24.442 21.607 -3.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 23.005 20.703 -3.898 1.00 0.00 H new ATOM 405 N GLN A 27 20.848 18.419 -10.618 1.00 0.00 N ATOM 406 CA GLN A 27 20.778 17.023 -11.057 1.00 0.00 C ATOM 407 C GLN A 27 21.812 16.692 -12.145 1.00 0.00 C ATOM 408 O GLN A 27 22.268 15.555 -12.211 1.00 0.00 O ATOM 409 CB GLN A 27 19.342 16.647 -11.465 1.00 0.00 C ATOM 410 CG GLN A 27 18.923 17.104 -12.874 1.00 0.00 C ATOM 411 CD GLN A 27 17.430 16.883 -13.130 1.00 0.00 C ATOM 412 OE1 GLN A 27 16.831 15.930 -12.631 1.00 0.00 O ATOM 413 NE2 GLN A 27 16.791 17.731 -13.916 1.00 0.00 N ATOM 0 H GLN A 27 19.952 18.905 -10.649 1.00 0.00 H new ATOM 0 HA GLN A 27 21.047 16.399 -10.205 1.00 0.00 H new ATOM 0 HB2 GLN A 27 19.235 15.564 -11.404 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.651 17.076 -10.740 1.00 0.00 H new ATOM 0 HG2 GLN A 27 19.159 18.161 -12.997 1.00 0.00 H new ATOM 0 HG3 GLN A 27 19.503 16.559 -13.619 1.00 0.00 H new ATOM 0 HE21 GLN A 27 17.290 18.520 -14.328 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.799 17.597 -14.111 1.00 0.00 H new ATOM 422 N LEU A 28 22.217 17.685 -12.948 1.00 0.00 N ATOM 423 CA LEU A 28 23.194 17.563 -14.028 1.00 0.00 C ATOM 424 C LEU A 28 24.572 17.077 -13.556 1.00 0.00 C ATOM 425 O LEU A 28 25.375 16.665 -14.385 1.00 0.00 O ATOM 426 CB LEU A 28 23.339 18.918 -14.749 1.00 0.00 C ATOM 427 CG LEU A 28 23.014 18.858 -16.252 1.00 0.00 C ATOM 428 CD1 LEU A 28 23.904 17.889 -17.040 1.00 0.00 C ATOM 429 CD2 LEU A 28 21.529 18.561 -16.492 1.00 0.00 C ATOM 0 H LEU A 28 21.855 18.634 -12.855 1.00 0.00 H new ATOM 0 HA LEU A 28 22.814 16.802 -14.710 1.00 0.00 H new ATOM 0 HB2 LEU A 28 22.681 19.645 -14.273 1.00 0.00 H new ATOM 0 HB3 LEU A 28 24.359 19.280 -14.621 1.00 0.00 H new ATOM 0 HG LEU A 28 23.238 19.852 -16.639 1.00 0.00 H new ATOM 0 HD11 LEU A 28 23.615 17.902 -18.091 1.00 0.00 H new ATOM 0 HD12 LEU A 28 24.946 18.195 -16.947 1.00 0.00 H new ATOM 0 HD13 LEU A 28 23.785 16.881 -16.643 1.00 0.00 H new ATOM 0 HD21 LEU A 28 21.334 18.526 -17.564 1.00 0.00 H new ATOM 0 HD22 LEU A 28 21.273 17.601 -16.045 1.00 0.00 H new ATOM 0 HD23 LEU A 28 20.923 19.345 -16.039 1.00 0.00 H new ATOM 441 N ALA A 29 24.864 17.135 -12.253 1.00 0.00 N ATOM 442 CA ALA A 29 26.129 16.714 -11.668 1.00 0.00 C ATOM 443 C ALA A 29 25.872 15.768 -10.489 1.00 0.00 C ATOM 444 O ALA A 29 26.445 15.941 -9.411 1.00 0.00 O ATOM 445 CB ALA A 29 26.944 17.959 -11.283 1.00 0.00 C ATOM 0 H ALA A 29 24.203 17.488 -11.560 1.00 0.00 H new ATOM 0 HA ALA A 29 26.721 16.151 -12.390 1.00 0.00 H new ATOM 0 HB1 ALA A 29 27.893 17.651 -10.844 1.00 0.00 H new ATOM 0 HB2 ALA A 29 27.133 18.559 -12.173 1.00 0.00 H new ATOM 0 HB3 ALA A 29 26.384 18.551 -10.559 1.00 0.00 H new ATOM 451 N ARG A 30 24.957 14.803 -10.642 1.00 0.00 N ATOM 452 CA ARG A 30 24.633 13.837 -9.596 1.00 0.00 C ATOM 453 C ARG A 30 24.325 12.479 -10.196 1.00 0.00 C ATOM 454 O ARG A 30 24.044 12.368 -11.384 1.00 0.00 O ATOM 455 CB ARG A 30 23.454 14.334 -8.744 1.00 0.00 C ATOM 456 CG ARG A 30 23.976 14.957 -7.451 1.00 0.00 C ATOM 457 CD ARG A 30 22.802 15.274 -6.537 1.00 0.00 C ATOM 458 NE ARG A 30 23.278 15.735 -5.228 1.00 0.00 N ATOM 459 CZ ARG A 30 22.551 16.402 -4.336 1.00 0.00 C ATOM 460 NH1 ARG A 30 21.277 16.674 -4.573 1.00 0.00 N ATOM 461 NH2 ARG A 30 23.119 16.769 -3.197 1.00 0.00 N ATOM 0 H ARG A 30 24.421 14.673 -11.500 1.00 0.00 H new ATOM 0 HA ARG A 30 25.503 13.733 -8.947 1.00 0.00 H new ATOM 0 HB2 ARG A 30 22.873 15.068 -9.303 1.00 0.00 H new ATOM 0 HB3 ARG A 30 22.784 13.505 -8.515 1.00 0.00 H new ATOM 0 HG2 ARG A 30 24.663 14.272 -6.955 1.00 0.00 H new ATOM 0 HG3 ARG A 30 24.536 15.866 -7.672 1.00 0.00 H new ATOM 0 HD2 ARG A 30 22.175 16.041 -6.993 1.00 0.00 H new ATOM 0 HD3 ARG A 30 22.181 14.387 -6.413 1.00 0.00 H new ATOM 0 HE ARG A 30 24.246 15.527 -4.982 1.00 0.00 H new ATOM 0 HH11 ARG A 30 20.845 16.371 -5.446 1.00 0.00 H new ATOM 0 HH12 ARG A 30 20.728 17.186 -3.883 1.00 0.00 H new ATOM 0 HH21 ARG A 30 24.096 16.539 -3.017 1.00 0.00 H new ATOM 0 HH22 ARG A 30 22.579 17.281 -2.500 1.00 0.00 H new ATOM 475 N MET A 31 24.366 11.468 -9.329 1.00 0.00 N ATOM 476 CA MET A 31 24.121 10.060 -9.639 1.00 0.00 C ATOM 477 C MET A 31 23.491 9.304 -8.469 1.00 0.00 C ATOM 478 O MET A 31 23.507 8.080 -8.389 1.00 0.00 O ATOM 479 CB MET A 31 25.474 9.432 -9.971 1.00 0.00 C ATOM 480 CG MET A 31 26.064 9.879 -11.315 1.00 0.00 C ATOM 481 SD MET A 31 27.620 9.064 -11.760 1.00 0.00 S ATOM 482 CE MET A 31 27.813 9.729 -13.435 1.00 0.00 C ATOM 0 H MET A 31 24.582 11.616 -8.343 1.00 0.00 H new ATOM 0 HA MET A 31 23.420 9.997 -10.471 1.00 0.00 H new ATOM 0 HB2 MET A 31 26.180 9.678 -9.178 1.00 0.00 H new ATOM 0 HB3 MET A 31 25.366 8.347 -9.977 1.00 0.00 H new ATOM 0 HG2 MET A 31 25.332 9.690 -12.100 1.00 0.00 H new ATOM 0 HG3 MET A 31 26.228 10.956 -11.285 1.00 0.00 H new ATOM 0 HE1 MET A 31 28.728 9.336 -13.879 1.00 0.00 H new ATOM 0 HE2 MET A 31 26.958 9.435 -14.044 1.00 0.00 H new ATOM 0 HE3 MET A 31 27.869 10.817 -13.390 1.00 0.00 H new ATOM 492 N THR A 32 22.978 10.080 -7.542 1.00 0.00 N ATOM 493 CA THR A 32 22.334 9.751 -6.298 1.00 0.00 C ATOM 494 C THR A 32 21.101 10.639 -6.135 1.00 0.00 C ATOM 495 O THR A 32 20.894 11.587 -6.902 1.00 0.00 O ATOM 496 CB THR A 32 23.360 10.073 -5.190 1.00 0.00 C ATOM 497 OG1 THR A 32 24.006 11.323 -5.437 1.00 0.00 O ATOM 498 CG2 THR A 32 24.418 8.980 -5.065 1.00 0.00 C ATOM 0 H THR A 32 23.010 11.092 -7.664 1.00 0.00 H new ATOM 0 HA THR A 32 22.021 8.708 -6.257 1.00 0.00 H new ATOM 0 HB THR A 32 22.804 10.130 -4.254 1.00 0.00 H new ATOM 0 HG1 THR A 32 24.650 11.506 -4.721 1.00 0.00 H new ATOM 0 HG21 THR A 32 25.121 9.243 -4.275 1.00 0.00 H new ATOM 0 HG22 THR A 32 23.936 8.033 -4.821 1.00 0.00 H new ATOM 0 HG23 THR A 32 24.953 8.882 -6.010 1.00 0.00 H new ATOM 506 N ARG A 33 20.314 10.363 -5.094 1.00 0.00 N ATOM 507 CA ARG A 33 19.105 11.076 -4.685 1.00 0.00 C ATOM 508 C ARG A 33 18.237 11.615 -5.814 1.00 0.00 C ATOM 509 O ARG A 33 17.980 12.814 -5.937 1.00 0.00 O ATOM 510 CB ARG A 33 19.470 12.097 -3.622 1.00 0.00 C ATOM 511 CG ARG A 33 20.390 13.253 -4.047 1.00 0.00 C ATOM 512 CD ARG A 33 21.779 13.145 -3.406 1.00 0.00 C ATOM 513 NE ARG A 33 21.877 13.954 -2.177 1.00 0.00 N ATOM 514 CZ ARG A 33 22.800 13.828 -1.219 1.00 0.00 C ATOM 515 NH1 ARG A 33 23.591 12.761 -1.165 1.00 0.00 N ATOM 516 NH2 ARG A 33 22.963 14.819 -0.352 1.00 0.00 N ATOM 0 H ARG A 33 20.520 9.581 -4.472 1.00 0.00 H new ATOM 0 HA ARG A 33 18.428 10.342 -4.248 1.00 0.00 H new ATOM 0 HB2 ARG A 33 18.546 12.525 -3.233 1.00 0.00 H new ATOM 0 HB3 ARG A 33 19.949 11.570 -2.797 1.00 0.00 H new ATOM 0 HG2 ARG A 33 20.491 13.256 -5.132 1.00 0.00 H new ATOM 0 HG3 ARG A 33 19.934 14.202 -3.766 1.00 0.00 H new ATOM 0 HD2 ARG A 33 21.992 12.102 -3.173 1.00 0.00 H new ATOM 0 HD3 ARG A 33 22.535 13.473 -4.119 1.00 0.00 H new ATOM 0 HE ARG A 33 21.172 14.680 -2.046 1.00 0.00 H new ATOM 0 HH11 ARG A 33 23.499 12.022 -1.862 1.00 0.00 H new ATOM 0 HH12 ARG A 33 24.290 12.681 -0.427 1.00 0.00 H new ATOM 0 HH21 ARG A 33 22.389 15.659 -0.424 1.00 0.00 H new ATOM 0 HH22 ARG A 33 23.663 14.741 0.386 1.00 0.00 H new ATOM 530 N CYS A 34 17.806 10.655 -6.608 1.00 0.00 N ATOM 531 CA CYS A 34 16.955 10.691 -7.791 1.00 0.00 C ATOM 532 C CYS A 34 16.307 9.301 -7.879 1.00 0.00 C ATOM 533 O CYS A 34 15.081 9.219 -7.782 1.00 0.00 O ATOM 534 CB CYS A 34 17.709 11.094 -9.074 1.00 0.00 C ATOM 535 SG CYS A 34 18.206 12.844 -9.041 1.00 0.00 S ATOM 0 H CYS A 34 18.083 9.693 -6.412 1.00 0.00 H new ATOM 0 HA CYS A 34 16.197 11.469 -7.700 1.00 0.00 H new ATOM 0 HB2 CYS A 34 18.593 10.467 -9.189 1.00 0.00 H new ATOM 0 HB3 CYS A 34 17.074 10.912 -9.941 1.00 0.00 H new ATOM 0 HG CYS A 34 18.237 13.263 -7.811 1.00 0.00 H new ATOM 541 N PRO A 35 17.077 8.190 -7.931 1.00 0.00 N ATOM 542 CA PRO A 35 16.494 6.853 -7.989 1.00 0.00 C ATOM 543 C PRO A 35 15.819 6.463 -6.665 1.00 0.00 C ATOM 544 O PRO A 35 15.140 5.443 -6.605 1.00 0.00 O ATOM 545 CB PRO A 35 17.635 5.918 -8.383 1.00 0.00 C ATOM 546 CG PRO A 35 18.870 6.619 -7.833 1.00 0.00 C ATOM 547 CD PRO A 35 18.527 8.090 -8.055 1.00 0.00 C ATOM 0 HA PRO A 35 15.689 6.796 -8.721 1.00 0.00 H new ATOM 0 HB2 PRO A 35 17.510 4.926 -7.950 1.00 0.00 H new ATOM 0 HB3 PRO A 35 17.694 5.789 -9.464 1.00 0.00 H new ATOM 0 HG2 PRO A 35 19.032 6.393 -6.779 1.00 0.00 H new ATOM 0 HG3 PRO A 35 19.776 6.327 -8.365 1.00 0.00 H new ATOM 0 HD2 PRO A 35 19.026 8.722 -7.320 1.00 0.00 H new ATOM 0 HD3 PRO A 35 18.858 8.423 -9.039 1.00 0.00 H new ATOM 555 N GLU A 36 15.964 7.260 -5.598 1.00 0.00 N ATOM 556 CA GLU A 36 15.333 7.006 -4.300 1.00 0.00 C ATOM 557 C GLU A 36 13.806 7.106 -4.449 1.00 0.00 C ATOM 558 O GLU A 36 13.058 6.690 -3.564 1.00 0.00 O ATOM 559 CB GLU A 36 15.786 8.041 -3.256 1.00 0.00 C ATOM 560 CG GLU A 36 17.300 8.194 -3.114 1.00 0.00 C ATOM 561 CD GLU A 36 17.983 6.974 -2.509 1.00 0.00 C ATOM 562 OE1 GLU A 36 18.355 6.050 -3.262 1.00 0.00 O ATOM 563 OE2 GLU A 36 18.258 6.982 -1.285 1.00 0.00 O ATOM 0 H GLU A 36 16.530 8.109 -5.614 1.00 0.00 H new ATOM 0 HA GLU A 36 15.626 6.010 -3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 36 15.361 9.010 -3.519 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.371 7.763 -2.287 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.730 8.391 -4.096 1.00 0.00 H new ATOM 0 HG3 GLU A 36 17.512 9.064 -2.493 1.00 0.00 H new ATOM 570 N GLN A 37 13.335 7.684 -5.560 1.00 0.00 N ATOM 571 CA GLN A 37 11.916 7.825 -5.842 1.00 0.00 C ATOM 572 C GLN A 37 11.293 6.517 -6.334 1.00 0.00 C ATOM 573 O GLN A 37 10.074 6.394 -6.269 1.00 0.00 O ATOM 574 CB GLN A 37 11.671 8.961 -6.847 1.00 0.00 C ATOM 575 CG GLN A 37 11.609 10.306 -6.123 1.00 0.00 C ATOM 576 CD GLN A 37 12.977 10.895 -5.774 1.00 0.00 C ATOM 577 OE1 GLN A 37 13.617 10.504 -4.801 1.00 0.00 O ATOM 578 NE2 GLN A 37 13.428 11.903 -6.504 1.00 0.00 N ATOM 0 H GLN A 37 13.938 8.067 -6.288 1.00 0.00 H new ATOM 0 HA GLN A 37 11.424 8.080 -4.903 1.00 0.00 H new ATOM 0 HB2 GLN A 37 12.468 8.977 -7.590 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.739 8.786 -7.384 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.068 11.017 -6.748 1.00 0.00 H new ATOM 0 HG3 GLN A 37 11.033 10.186 -5.205 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.895 12.226 -7.312 1.00 0.00 H new ATOM 0 HE22 GLN A 37 14.308 12.356 -6.259 1.00 0.00 H new ATOM 587 N GLU A 38 12.101 5.542 -6.758 1.00 0.00 N ATOM 588 CA GLU A 38 11.659 4.250 -7.269 1.00 0.00 C ATOM 589 C GLU A 38 10.654 3.594 -6.320 1.00 0.00 C ATOM 590 O GLU A 38 9.496 3.367 -6.663 1.00 0.00 O ATOM 591 CB GLU A 38 12.905 3.382 -7.491 1.00 0.00 C ATOM 592 CG GLU A 38 12.581 2.122 -8.289 1.00 0.00 C ATOM 593 CD GLU A 38 12.339 2.403 -9.777 1.00 0.00 C ATOM 594 OE1 GLU A 38 12.409 3.575 -10.222 1.00 0.00 O ATOM 595 OE2 GLU A 38 12.164 1.425 -10.529 1.00 0.00 O ATOM 0 H GLU A 38 13.116 5.638 -6.753 1.00 0.00 H new ATOM 0 HA GLU A 38 11.134 4.374 -8.216 1.00 0.00 H new ATOM 0 HB2 GLU A 38 13.663 3.962 -8.018 1.00 0.00 H new ATOM 0 HB3 GLU A 38 13.330 3.103 -6.527 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.402 1.413 -8.187 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.696 1.648 -7.865 1.00 0.00 H new ATOM 602 N LEU A 39 11.089 3.327 -5.089 1.00 0.00 N ATOM 603 CA LEU A 39 10.257 2.719 -4.062 1.00 0.00 C ATOM 604 C LEU A 39 9.002 3.547 -3.799 1.00 0.00 C ATOM 605 O LEU A 39 7.948 2.987 -3.530 1.00 0.00 O ATOM 606 CB LEU A 39 11.022 2.552 -2.743 1.00 0.00 C ATOM 607 CG LEU A 39 11.893 3.743 -2.294 1.00 0.00 C ATOM 608 CD1 LEU A 39 11.682 4.045 -0.805 1.00 0.00 C ATOM 609 CD2 LEU A 39 13.382 3.484 -2.551 1.00 0.00 C ATOM 0 H LEU A 39 12.039 3.530 -4.778 1.00 0.00 H new ATOM 0 HA LEU A 39 9.971 1.737 -4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.299 2.342 -1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.663 1.675 -2.830 1.00 0.00 H new ATOM 0 HG LEU A 39 11.582 4.604 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 39 12.307 4.889 -0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.635 4.291 -0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 39 11.954 3.170 -0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.963 4.345 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.698 2.600 -1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.545 3.323 -3.617 1.00 0.00 H new ATOM 621 N ARG A 40 9.100 4.877 -3.824 1.00 0.00 N ATOM 622 CA ARG A 40 7.949 5.752 -3.583 1.00 0.00 C ATOM 623 C ARG A 40 6.867 5.464 -4.621 1.00 0.00 C ATOM 624 O ARG A 40 5.705 5.310 -4.251 1.00 0.00 O ATOM 625 CB ARG A 40 8.344 7.241 -3.570 1.00 0.00 C ATOM 626 CG ARG A 40 9.594 7.573 -2.743 1.00 0.00 C ATOM 627 CD ARG A 40 9.612 7.011 -1.321 1.00 0.00 C ATOM 628 NE ARG A 40 8.681 7.682 -0.397 1.00 0.00 N ATOM 629 CZ ARG A 40 8.834 7.713 0.933 1.00 0.00 C ATOM 630 NH1 ARG A 40 9.922 7.188 1.487 1.00 0.00 N ATOM 631 NH2 ARG A 40 7.914 8.260 1.719 1.00 0.00 N ATOM 0 H ARG A 40 9.970 5.376 -4.010 1.00 0.00 H new ATOM 0 HA ARG A 40 7.554 5.537 -2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.509 7.567 -4.597 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.506 7.820 -3.183 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.469 7.199 -3.274 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.694 8.657 -2.688 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.368 5.949 -1.358 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.623 7.092 -0.923 1.00 0.00 H new ATOM 0 HE ARG A 40 7.869 8.153 -0.796 1.00 0.00 H new ATOM 0 HH11 ARG A 40 10.639 6.762 0.899 1.00 0.00 H new ATOM 0 HH12 ARG A 40 10.040 7.211 2.500 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.072 8.667 1.312 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.050 8.273 2.730 1.00 0.00 H new ATOM 645 N LEU A 41 7.247 5.382 -5.898 1.00 0.00 N ATOM 646 CA LEU A 41 6.330 5.097 -6.997 1.00 0.00 C ATOM 647 C LEU A 41 5.701 3.727 -6.768 1.00 0.00 C ATOM 648 O LEU A 41 4.481 3.625 -6.667 1.00 0.00 O ATOM 649 CB LEU A 41 7.062 5.133 -8.350 1.00 0.00 C ATOM 650 CG LEU A 41 7.494 6.552 -8.765 1.00 0.00 C ATOM 651 CD1 LEU A 41 8.841 6.511 -9.487 1.00 0.00 C ATOM 652 CD2 LEU A 41 6.445 7.206 -9.674 1.00 0.00 C ATOM 0 H LEU A 41 8.213 5.514 -6.199 1.00 0.00 H new ATOM 0 HA LEU A 41 5.553 5.861 -7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.942 4.492 -8.297 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.411 4.718 -9.120 1.00 0.00 H new ATOM 0 HG LEU A 41 7.589 7.148 -7.857 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.131 7.522 -9.773 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.597 6.091 -8.824 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.757 5.891 -10.380 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.777 8.207 -9.951 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.317 6.604 -10.574 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.495 7.273 -9.144 1.00 0.00 H new ATOM 664 N GLN A 42 6.522 2.695 -6.562 1.00 0.00 N ATOM 665 CA GLN A 42 6.036 1.338 -6.352 1.00 0.00 C ATOM 666 C GLN A 42 5.114 1.243 -5.127 1.00 0.00 C ATOM 667 O GLN A 42 4.191 0.428 -5.104 1.00 0.00 O ATOM 668 CB GLN A 42 7.230 0.368 -6.294 1.00 0.00 C ATOM 669 CG GLN A 42 6.836 -1.072 -6.673 1.00 0.00 C ATOM 670 CD GLN A 42 6.460 -1.214 -8.154 1.00 0.00 C ATOM 671 OE1 GLN A 42 7.320 -1.421 -9.013 1.00 0.00 O ATOM 672 NE2 GLN A 42 5.181 -1.173 -8.493 1.00 0.00 N ATOM 0 H GLN A 42 7.538 2.780 -6.537 1.00 0.00 H new ATOM 0 HA GLN A 42 5.413 1.045 -7.197 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.012 0.717 -6.969 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.651 0.374 -5.289 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.665 -1.742 -6.447 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.994 -1.388 -6.057 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.470 -1.002 -7.782 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.906 -1.313 -9.465 1.00 0.00 H new ATOM 681 N ARG A 43 5.328 2.063 -4.094 1.00 0.00 N ATOM 682 CA ARG A 43 4.484 2.076 -2.901 1.00 0.00 C ATOM 683 C ARG A 43 3.149 2.747 -3.218 1.00 0.00 C ATOM 684 O ARG A 43 2.141 2.446 -2.570 1.00 0.00 O ATOM 685 CB ARG A 43 5.204 2.774 -1.743 1.00 0.00 C ATOM 686 CG ARG A 43 6.278 1.878 -1.110 1.00 0.00 C ATOM 687 CD ARG A 43 7.122 2.721 -0.152 1.00 0.00 C ATOM 688 NE ARG A 43 8.248 1.959 0.403 1.00 0.00 N ATOM 689 CZ ARG A 43 9.058 2.379 1.383 1.00 0.00 C ATOM 690 NH1 ARG A 43 8.888 3.575 1.948 1.00 0.00 N ATOM 691 NH2 ARG A 43 10.055 1.603 1.785 1.00 0.00 N ATOM 0 H ARG A 43 6.093 2.737 -4.064 1.00 0.00 H new ATOM 0 HA ARG A 43 4.283 1.051 -2.591 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.665 3.693 -2.104 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.476 3.060 -0.983 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.812 1.051 -0.574 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.909 1.441 -1.884 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.501 3.597 -0.678 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.494 3.084 0.661 1.00 0.00 H new ATOM 0 HE ARG A 43 8.428 1.035 0.010 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.132 4.184 1.635 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.514 3.880 2.694 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.201 0.693 1.348 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.676 1.916 2.531 1.00 0.00 H new ATOM 705 N LEU A 44 3.103 3.712 -4.138 1.00 0.00 N ATOM 706 CA LEU A 44 1.847 4.370 -4.501 1.00 0.00 C ATOM 707 C LEU A 44 0.969 3.343 -5.227 1.00 0.00 C ATOM 708 O LEU A 44 -0.198 3.186 -4.862 1.00 0.00 O ATOM 709 CB LEU A 44 2.083 5.628 -5.356 1.00 0.00 C ATOM 710 CG LEU A 44 2.688 6.800 -4.556 1.00 0.00 C ATOM 711 CD1 LEU A 44 3.261 7.855 -5.507 1.00 0.00 C ATOM 712 CD2 LEU A 44 1.666 7.466 -3.629 1.00 0.00 C ATOM 0 H LEU A 44 3.919 4.055 -4.644 1.00 0.00 H new ATOM 0 HA LEU A 44 1.341 4.718 -3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.748 5.378 -6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.136 5.945 -5.794 1.00 0.00 H new ATOM 0 HG LEU A 44 3.481 6.379 -3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.684 8.676 -4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.040 7.405 -6.122 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.467 8.236 -6.149 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.143 8.284 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.838 7.856 -4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.289 6.732 -2.916 1.00 0.00 H new ATOM 724 N GLU A 45 1.559 2.567 -6.148 1.00 0.00 N ATOM 725 CA GLU A 45 0.913 1.527 -6.964 1.00 0.00 C ATOM 726 C GLU A 45 0.199 0.432 -6.149 1.00 0.00 C ATOM 727 O GLU A 45 -0.522 -0.391 -6.713 1.00 0.00 O ATOM 728 CB GLU A 45 1.939 0.879 -7.912 1.00 0.00 C ATOM 729 CG GLU A 45 2.510 1.805 -8.996 1.00 0.00 C ATOM 730 CD GLU A 45 1.488 2.331 -10.011 1.00 0.00 C ATOM 731 OE1 GLU A 45 0.390 1.750 -10.187 1.00 0.00 O ATOM 732 OE2 GLU A 45 1.749 3.388 -10.634 1.00 0.00 O ATOM 0 H GLU A 45 2.554 2.652 -6.355 1.00 0.00 H new ATOM 0 HA GLU A 45 0.136 2.041 -7.530 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.766 0.492 -7.316 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.470 0.024 -8.399 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.986 2.656 -8.510 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.290 1.268 -9.535 1.00 0.00 H new ATOM 739 N ARG A 46 0.369 0.372 -4.825 1.00 0.00 N ATOM 740 CA ARG A 46 -0.298 -0.611 -3.978 1.00 0.00 C ATOM 741 C ARG A 46 -1.814 -0.318 -3.912 1.00 0.00 C ATOM 742 O ARG A 46 -2.595 -1.176 -3.502 1.00 0.00 O ATOM 743 CB ARG A 46 0.440 -0.596 -2.626 1.00 0.00 C ATOM 744 CG ARG A 46 -0.204 -1.443 -1.527 1.00 0.00 C ATOM 745 CD ARG A 46 -1.038 -0.556 -0.582 1.00 0.00 C ATOM 746 NE ARG A 46 -0.188 0.185 0.377 1.00 0.00 N ATOM 747 CZ ARG A 46 -0.571 1.130 1.247 1.00 0.00 C ATOM 748 NH1 ARG A 46 -1.806 1.617 1.223 1.00 0.00 N ATOM 749 NH2 ARG A 46 0.289 1.597 2.148 1.00 0.00 N ATOM 0 H ARG A 46 0.978 1.009 -4.311 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.246 -1.626 -4.373 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.460 -0.946 -2.782 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.507 0.435 -2.277 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.840 -2.207 -1.974 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.569 -1.963 -0.960 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.622 0.151 -1.170 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.747 -1.177 -0.034 1.00 0.00 H new ATOM 0 HE ARG A 46 0.804 -0.051 0.376 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.477 1.272 0.536 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.084 2.336 1.891 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.242 1.236 2.178 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.005 2.316 2.809 1.00 0.00 H new ATOM 763 N LEU A 47 -2.241 0.884 -4.317 1.00 0.00 N ATOM 764 CA LEU A 47 -3.627 1.345 -4.348 1.00 0.00 C ATOM 765 C LEU A 47 -4.519 0.450 -5.233 1.00 0.00 C ATOM 766 O LEU A 47 -5.416 -0.219 -4.700 1.00 0.00 O ATOM 767 CB LEU A 47 -3.663 2.817 -4.817 1.00 0.00 C ATOM 768 CG LEU A 47 -3.714 3.851 -3.684 1.00 0.00 C ATOM 769 CD1 LEU A 47 -3.270 5.232 -4.175 1.00 0.00 C ATOM 770 CD2 LEU A 47 -5.135 3.940 -3.117 1.00 0.00 C ATOM 0 H LEU A 47 -1.591 1.597 -4.649 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.036 1.278 -3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.781 3.011 -5.428 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.533 2.958 -5.459 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.028 3.526 -2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.317 5.944 -3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.247 5.174 -4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.930 5.562 -4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.161 4.676 -2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.824 4.240 -3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.433 2.967 -2.727 1.00 0.00 H new ATOM 782 N PRO A 48 -4.323 0.417 -6.571 1.00 0.00 N ATOM 783 CA PRO A 48 -5.146 -0.400 -7.452 1.00 0.00 C ATOM 784 C PRO A 48 -5.032 -1.877 -7.095 1.00 0.00 C ATOM 785 O PRO A 48 -6.016 -2.596 -7.222 1.00 0.00 O ATOM 786 CB PRO A 48 -4.641 -0.154 -8.878 1.00 0.00 C ATOM 787 CG PRO A 48 -3.207 0.317 -8.665 1.00 0.00 C ATOM 788 CD PRO A 48 -3.330 1.121 -7.375 1.00 0.00 C ATOM 0 HA PRO A 48 -6.198 -0.131 -7.353 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.681 -1.061 -9.481 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -5.239 0.598 -9.393 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.514 -0.518 -8.562 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.850 0.927 -9.494 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.373 1.178 -6.856 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -3.644 2.145 -7.579 1.00 0.00 H new ATOM 796 N GLU A 49 -3.863 -2.326 -6.635 1.00 0.00 N ATOM 797 CA GLU A 49 -3.608 -3.706 -6.270 1.00 0.00 C ATOM 798 C GLU A 49 -4.642 -4.210 -5.259 1.00 0.00 C ATOM 799 O GLU A 49 -5.407 -5.132 -5.549 1.00 0.00 O ATOM 800 CB GLU A 49 -2.168 -3.819 -5.731 1.00 0.00 C ATOM 801 CG GLU A 49 -1.702 -5.272 -5.613 1.00 0.00 C ATOM 802 CD GLU A 49 -1.387 -5.874 -6.988 1.00 0.00 C ATOM 803 OE1 GLU A 49 -2.315 -6.354 -7.683 1.00 0.00 O ATOM 804 OE2 GLU A 49 -0.201 -5.885 -7.395 1.00 0.00 O ATOM 0 H GLU A 49 -3.053 -1.720 -6.506 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.704 -4.343 -7.149 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.492 -3.276 -6.391 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.110 -3.341 -4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.815 -5.321 -4.981 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.475 -5.865 -5.123 1.00 0.00 H new ATOM 811 N LEU A 50 -4.693 -3.581 -4.083 1.00 0.00 N ATOM 812 CA LEU A 50 -5.614 -3.973 -3.024 1.00 0.00 C ATOM 813 C LEU A 50 -7.071 -3.808 -3.455 1.00 0.00 C ATOM 814 O LEU A 50 -7.882 -4.671 -3.105 1.00 0.00 O ATOM 815 CB LEU A 50 -5.311 -3.200 -1.733 1.00 0.00 C ATOM 816 CG LEU A 50 -4.332 -3.844 -0.737 1.00 0.00 C ATOM 817 CD1 LEU A 50 -4.976 -5.054 -0.059 1.00 0.00 C ATOM 818 CD2 LEU A 50 -3.016 -4.262 -1.402 1.00 0.00 C ATOM 0 H LEU A 50 -4.098 -2.789 -3.842 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.465 -5.034 -2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.916 -2.223 -2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.254 -3.027 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.099 -3.087 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.269 -5.497 0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.870 -4.737 0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.249 -5.792 -0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.359 -4.711 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.221 -4.987 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.531 -3.386 -1.832 1.00 0.00 H new ATOM 830 N ALA A 51 -7.418 -2.745 -4.198 1.00 0.00 N ATOM 831 CA ALA A 51 -8.775 -2.517 -4.676 1.00 0.00 C ATOM 832 C ALA A 51 -9.209 -3.661 -5.599 1.00 0.00 C ATOM 833 O ALA A 51 -10.275 -4.252 -5.427 1.00 0.00 O ATOM 834 CB ALA A 51 -8.829 -1.178 -5.411 1.00 0.00 C ATOM 0 H ALA A 51 -6.757 -2.022 -4.481 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.462 -2.487 -3.830 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -9.842 -1.001 -5.771 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.541 -0.377 -4.730 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.142 -1.199 -6.257 1.00 0.00 H new ATOM 840 N ARG A 52 -8.390 -3.989 -6.597 1.00 0.00 N ATOM 841 CA ARG A 52 -8.684 -5.070 -7.538 1.00 0.00 C ATOM 842 C ARG A 52 -8.860 -6.378 -6.771 1.00 0.00 C ATOM 843 O ARG A 52 -9.835 -7.091 -7.015 1.00 0.00 O ATOM 844 CB ARG A 52 -7.579 -5.154 -8.594 1.00 0.00 C ATOM 845 CG ARG A 52 -7.609 -3.935 -9.535 1.00 0.00 C ATOM 846 CD ARG A 52 -6.319 -3.835 -10.357 1.00 0.00 C ATOM 847 NE ARG A 52 -6.220 -4.938 -11.322 1.00 0.00 N ATOM 848 CZ ARG A 52 -6.904 -5.042 -12.466 1.00 0.00 C ATOM 849 NH1 ARG A 52 -7.592 -4.010 -12.950 1.00 0.00 N ATOM 850 NH2 ARG A 52 -6.937 -6.200 -13.110 1.00 0.00 N ATOM 0 H ARG A 52 -7.505 -3.514 -6.776 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.617 -4.870 -8.065 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.608 -5.213 -8.103 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.698 -6.068 -9.176 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.465 -4.011 -10.205 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.742 -3.025 -8.950 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.294 -2.882 -10.885 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.457 -3.853 -9.690 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.571 -5.693 -11.099 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.603 -3.123 -12.447 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.108 -4.106 -13.824 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.442 -7.008 -12.732 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.458 -6.283 -13.983 1.00 0.00 H new ATOM 864 N VAL A 53 -7.959 -6.688 -5.828 1.00 0.00 N ATOM 865 CA VAL A 53 -8.069 -7.907 -5.031 1.00 0.00 C ATOM 866 C VAL A 53 -9.395 -7.876 -4.265 1.00 0.00 C ATOM 867 O VAL A 53 -10.103 -8.877 -4.312 1.00 0.00 O ATOM 868 CB VAL A 53 -6.858 -8.075 -4.086 1.00 0.00 C ATOM 869 CG1 VAL A 53 -7.070 -9.233 -3.100 1.00 0.00 C ATOM 870 CG2 VAL A 53 -5.577 -8.379 -4.874 1.00 0.00 C ATOM 0 H VAL A 53 -7.150 -6.110 -5.603 1.00 0.00 H new ATOM 0 HA VAL A 53 -8.061 -8.775 -5.690 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.761 -7.133 -3.546 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.199 -9.322 -2.451 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.955 -9.038 -2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.207 -10.162 -3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.742 -8.492 -4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.708 -9.302 -5.439 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.370 -7.559 -5.562 1.00 0.00 H new ATOM 880 N LEU A 54 -9.768 -6.768 -3.611 1.00 0.00 N ATOM 881 CA LEU A 54 -11.018 -6.656 -2.854 1.00 0.00 C ATOM 882 C LEU A 54 -12.210 -7.059 -3.724 1.00 0.00 C ATOM 883 O LEU A 54 -13.053 -7.856 -3.301 1.00 0.00 O ATOM 884 CB LEU A 54 -11.174 -5.237 -2.279 1.00 0.00 C ATOM 885 CG LEU A 54 -12.529 -4.975 -1.599 1.00 0.00 C ATOM 886 CD1 LEU A 54 -12.822 -6.010 -0.518 1.00 0.00 C ATOM 887 CD2 LEU A 54 -12.532 -3.601 -0.929 1.00 0.00 C ATOM 0 H LEU A 54 -9.205 -5.918 -3.593 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.985 -7.346 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.378 -5.061 -1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.039 -4.515 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.288 -5.030 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.787 -5.794 -0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.847 -7.004 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -12.042 -5.973 0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.497 -3.431 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.744 -3.561 -0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.357 -2.830 -1.679 1.00 0.00 H new ATOM 899 N ARG A 55 -12.284 -6.534 -4.953 1.00 0.00 N ATOM 900 CA ARG A 55 -13.379 -6.880 -5.856 1.00 0.00 C ATOM 901 C ARG A 55 -13.381 -8.399 -6.083 1.00 0.00 C ATOM 902 O ARG A 55 -14.447 -9.009 -6.045 1.00 0.00 O ATOM 903 CB ARG A 55 -13.268 -6.087 -7.173 1.00 0.00 C ATOM 904 CG ARG A 55 -14.609 -6.072 -7.929 1.00 0.00 C ATOM 905 CD ARG A 55 -14.513 -5.265 -9.237 1.00 0.00 C ATOM 906 NE ARG A 55 -15.693 -5.435 -10.105 1.00 0.00 N ATOM 907 CZ ARG A 55 -15.977 -6.531 -10.825 1.00 0.00 C ATOM 908 NH1 ARG A 55 -15.203 -7.613 -10.735 1.00 0.00 N ATOM 909 NH2 ARG A 55 -17.025 -6.547 -11.638 1.00 0.00 N ATOM 0 H ARG A 55 -11.606 -5.876 -5.338 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.334 -6.603 -5.409 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.956 -5.064 -6.960 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.497 -6.530 -7.803 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.912 -7.095 -8.153 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.382 -5.643 -7.292 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.394 -4.208 -8.998 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.620 -5.571 -9.782 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.347 -4.655 -10.163 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.392 -7.610 -10.117 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.422 -8.444 -11.284 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -17.621 -5.723 -11.719 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.235 -7.383 -12.183 1.00 0.00 H new ATOM 923 N ASN A 56 -12.211 -9.010 -6.301 1.00 0.00 N ATOM 924 CA ASN A 56 -12.065 -10.444 -6.529 1.00 0.00 C ATOM 925 C ASN A 56 -12.609 -11.250 -5.340 1.00 0.00 C ATOM 926 O ASN A 56 -13.345 -12.216 -5.555 1.00 0.00 O ATOM 927 CB ASN A 56 -10.599 -10.772 -6.890 1.00 0.00 C ATOM 928 CG ASN A 56 -9.980 -11.887 -6.056 1.00 0.00 C ATOM 929 OD1 ASN A 56 -10.060 -13.065 -6.383 1.00 0.00 O ATOM 930 ND2 ASN A 56 -9.328 -11.529 -4.969 1.00 0.00 N ATOM 0 H ASN A 56 -11.324 -8.507 -6.323 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.671 -10.745 -7.383 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.551 -11.052 -7.942 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -9.998 -9.870 -6.772 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.881 -12.237 -4.386 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.270 -10.544 -4.710 1.00 0.00 H new ATOM 937 N VAL A 57 -12.293 -10.839 -4.108 1.00 0.00 N ATOM 938 CA VAL A 57 -12.715 -11.490 -2.871 1.00 0.00 C ATOM 939 C VAL A 57 -14.241 -11.499 -2.777 1.00 0.00 C ATOM 940 O VAL A 57 -14.855 -12.563 -2.777 1.00 0.00 O ATOM 941 CB VAL A 57 -12.047 -10.804 -1.650 1.00 0.00 C ATOM 942 CG1 VAL A 57 -12.526 -11.366 -0.306 1.00 0.00 C ATOM 943 CG2 VAL A 57 -10.520 -10.957 -1.688 1.00 0.00 C ATOM 0 H VAL A 57 -11.716 -10.014 -3.942 1.00 0.00 H new ATOM 0 HA VAL A 57 -12.387 -12.529 -2.872 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.338 -9.756 -1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.021 -10.844 0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -13.603 -11.224 -0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.295 -12.430 -0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.083 -10.465 -0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.260 -12.015 -1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.131 -10.499 -2.597 1.00 0.00 H new ATOM 953 N PHE A 58 -14.879 -10.327 -2.765 1.00 0.00 N ATOM 954 CA PHE A 58 -16.333 -10.204 -2.644 1.00 0.00 C ATOM 955 C PHE A 58 -17.098 -10.937 -3.753 1.00 0.00 C ATOM 956 O PHE A 58 -18.236 -11.389 -3.559 1.00 0.00 O ATOM 957 CB PHE A 58 -16.697 -8.719 -2.559 1.00 0.00 C ATOM 958 CG PHE A 58 -16.571 -8.127 -1.167 1.00 0.00 C ATOM 959 CD1 PHE A 58 -15.405 -8.289 -0.392 1.00 0.00 C ATOM 960 CD2 PHE A 58 -17.639 -7.382 -0.641 1.00 0.00 C ATOM 961 CE1 PHE A 58 -15.334 -7.752 0.900 1.00 0.00 C ATOM 962 CE2 PHE A 58 -17.534 -6.762 0.610 1.00 0.00 C ATOM 963 CZ PHE A 58 -16.403 -7.003 1.408 1.00 0.00 C ATOM 0 H PHE A 58 -14.398 -9.431 -2.839 1.00 0.00 H new ATOM 0 HA PHE A 58 -16.647 -10.703 -1.727 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -16.055 -8.159 -3.239 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -17.722 -8.587 -2.907 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -14.562 -8.830 -0.796 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -18.553 -7.286 -1.209 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -14.454 -7.916 1.505 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -18.316 -6.104 0.959 1.00 0.00 H new ATOM 0 HZ PHE A 58 -16.358 -6.611 2.413 1.00 0.00 H new ATOM 973 N VAL A 59 -16.514 -11.050 -4.945 1.00 0.00 N ATOM 974 CA VAL A 59 -17.160 -11.764 -6.039 1.00 0.00 C ATOM 975 C VAL A 59 -17.082 -13.262 -5.735 1.00 0.00 C ATOM 976 O VAL A 59 -18.086 -13.966 -5.878 1.00 0.00 O ATOM 977 CB VAL A 59 -16.532 -11.356 -7.382 1.00 0.00 C ATOM 978 CG1 VAL A 59 -16.989 -12.268 -8.527 1.00 0.00 C ATOM 979 CG2 VAL A 59 -16.974 -9.922 -7.691 1.00 0.00 C ATOM 0 H VAL A 59 -15.601 -10.658 -5.175 1.00 0.00 H new ATOM 0 HA VAL A 59 -18.215 -11.503 -6.128 1.00 0.00 H new ATOM 0 HB VAL A 59 -15.448 -11.439 -7.300 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -16.522 -11.945 -9.458 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -16.697 -13.296 -8.312 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -18.073 -12.212 -8.626 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -16.543 -9.605 -8.640 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -18.061 -9.882 -7.755 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -16.633 -9.257 -6.897 1.00 0.00 H new ATOM 989 N SER A 60 -15.917 -13.744 -5.302 1.00 0.00 N ATOM 990 CA SER A 60 -15.664 -15.137 -4.965 1.00 0.00 C ATOM 991 C SER A 60 -16.569 -15.565 -3.807 1.00 0.00 C ATOM 992 O SER A 60 -17.177 -16.633 -3.852 1.00 0.00 O ATOM 993 CB SER A 60 -14.174 -15.259 -4.603 1.00 0.00 C ATOM 994 OG SER A 60 -13.697 -16.587 -4.637 1.00 0.00 O ATOM 0 H SER A 60 -15.097 -13.151 -5.173 1.00 0.00 H new ATOM 0 HA SER A 60 -15.888 -15.797 -5.803 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.589 -14.653 -5.294 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.015 -14.849 -3.606 1.00 0.00 H new ATOM 0 HG SER A 60 -12.746 -16.599 -4.400 1.00 0.00 H new ATOM 1000 N GLU A 61 -16.747 -14.683 -2.822 1.00 0.00 N ATOM 1001 CA GLU A 61 -17.556 -14.935 -1.636 1.00 0.00 C ATOM 1002 C GLU A 61 -19.044 -15.118 -1.941 1.00 0.00 C ATOM 1003 O GLU A 61 -19.806 -15.530 -1.069 1.00 0.00 O ATOM 1004 CB GLU A 61 -17.370 -13.763 -0.659 1.00 0.00 C ATOM 1005 CG GLU A 61 -17.646 -14.140 0.803 1.00 0.00 C ATOM 1006 CD GLU A 61 -16.780 -15.294 1.307 1.00 0.00 C ATOM 1007 OE1 GLU A 61 -15.682 -15.035 1.842 1.00 0.00 O ATOM 1008 OE2 GLU A 61 -17.206 -16.466 1.255 1.00 0.00 O ATOM 0 H GLU A 61 -16.323 -13.756 -2.830 1.00 0.00 H new ATOM 0 HA GLU A 61 -17.214 -15.874 -1.201 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -16.350 -13.387 -0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.035 -12.949 -0.949 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -17.477 -13.267 1.433 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -18.696 -14.411 0.908 1.00 0.00 H new ATOM 1015 N ARG A 62 -19.497 -14.775 -3.154 1.00 0.00 N ATOM 1016 CA ARG A 62 -20.893 -14.898 -3.580 1.00 0.00 C ATOM 1017 C ARG A 62 -21.862 -14.035 -2.750 1.00 0.00 C ATOM 1018 O ARG A 62 -23.071 -14.117 -2.967 1.00 0.00 O ATOM 1019 CB ARG A 62 -21.235 -16.401 -3.699 1.00 0.00 C ATOM 1020 CG ARG A 62 -22.507 -16.755 -4.489 1.00 0.00 C ATOM 1021 CD ARG A 62 -22.399 -18.106 -5.223 1.00 0.00 C ATOM 1022 NE ARG A 62 -21.893 -19.199 -4.372 1.00 0.00 N ATOM 1023 CZ ARG A 62 -21.458 -20.394 -4.796 1.00 0.00 C ATOM 1024 NH1 ARG A 62 -21.586 -20.776 -6.064 1.00 0.00 N ATOM 1025 NH2 ARG A 62 -20.898 -21.213 -3.916 1.00 0.00 N ATOM 0 H ARG A 62 -18.889 -14.397 -3.880 1.00 0.00 H new ATOM 0 HA ARG A 62 -21.028 -14.466 -4.572 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -20.391 -16.907 -4.167 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -21.333 -16.809 -2.693 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -23.356 -16.785 -3.806 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -22.709 -15.968 -5.215 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -23.381 -18.381 -5.608 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -21.740 -17.991 -6.084 1.00 0.00 H new ATOM 0 HE ARG A 62 -21.872 -19.030 -3.366 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -22.025 -20.153 -6.742 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -21.245 -21.691 -6.358 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -20.806 -20.928 -2.941 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -20.559 -22.128 -4.214 1.00 0.00 H new ATOM 1039 N LYS A 63 -21.377 -13.152 -1.862 1.00 0.00 N ATOM 1040 CA LYS A 63 -22.166 -12.235 -1.030 1.00 0.00 C ATOM 1041 C LYS A 63 -21.437 -10.893 -0.956 1.00 0.00 C ATOM 1042 O LYS A 63 -20.232 -10.889 -0.719 1.00 0.00 O ATOM 1043 CB LYS A 63 -22.552 -12.803 0.348 1.00 0.00 C ATOM 1044 CG LYS A 63 -21.427 -13.514 1.107 1.00 0.00 C ATOM 1045 CD LYS A 63 -21.719 -13.671 2.604 1.00 0.00 C ATOM 1046 CE LYS A 63 -22.951 -14.545 2.849 1.00 0.00 C ATOM 1047 NZ LYS A 63 -23.212 -14.748 4.288 1.00 0.00 N ATOM 0 H LYS A 63 -20.375 -13.055 -1.698 1.00 0.00 H new ATOM 0 HA LYS A 63 -23.135 -12.088 -1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -22.925 -11.987 0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -23.376 -13.504 0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -21.267 -14.499 0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -20.500 -12.954 0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -20.854 -14.113 3.100 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -21.875 -12.689 3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -23.822 -14.081 2.385 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -22.810 -15.512 2.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -24.055 -15.345 4.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -22.393 -15.214 4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -23.373 -13.828 4.745 1.00 0.00 H new ATOM 1061 N PRO A 64 -22.116 -9.757 -1.212 1.00 0.00 N ATOM 1062 CA PRO A 64 -21.510 -8.433 -1.170 1.00 0.00 C ATOM 1063 C PRO A 64 -21.505 -7.828 0.242 1.00 0.00 C ATOM 1064 O PRO A 64 -20.927 -6.757 0.421 1.00 0.00 O ATOM 1065 CB PRO A 64 -22.401 -7.590 -2.084 1.00 0.00 C ATOM 1066 CG PRO A 64 -23.795 -8.131 -1.776 1.00 0.00 C ATOM 1067 CD PRO A 64 -23.536 -9.617 -1.517 1.00 0.00 C ATOM 0 HA PRO A 64 -20.465 -8.471 -1.477 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -22.320 -6.526 -1.861 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -22.140 -7.716 -3.135 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -24.236 -7.641 -0.908 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -24.480 -7.980 -2.610 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -24.146 -9.976 -0.688 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -23.803 -10.213 -2.390 1.00 0.00 H new ATOM 1075 N ALA A 65 -22.180 -8.463 1.213 1.00 0.00 N ATOM 1076 CA ALA A 65 -22.271 -7.995 2.594 1.00 0.00 C ATOM 1077 C ALA A 65 -21.612 -9.033 3.492 1.00 0.00 C ATOM 1078 O ALA A 65 -22.082 -10.172 3.522 1.00 0.00 O ATOM 1079 CB ALA A 65 -23.733 -7.766 2.985 1.00 0.00 C ATOM 0 H ALA A 65 -22.686 -9.334 1.051 1.00 0.00 H new ATOM 0 HA ALA A 65 -21.756 -7.041 2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -23.783 -7.418 4.017 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -24.173 -7.016 2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -24.286 -8.701 2.890 1.00 0.00 H new ATOM 1085 N LEU A 66 -20.551 -8.643 4.205 1.00 0.00 N ATOM 1086 CA LEU A 66 -19.754 -9.490 5.096 1.00 0.00 C ATOM 1087 C LEU A 66 -19.529 -8.829 6.452 1.00 0.00 C ATOM 1088 O LEU A 66 -19.558 -7.604 6.539 1.00 0.00 O ATOM 1089 CB LEU A 66 -18.356 -9.655 4.483 1.00 0.00 C ATOM 1090 CG LEU A 66 -18.239 -10.114 3.025 1.00 0.00 C ATOM 1091 CD1 LEU A 66 -16.763 -10.316 2.696 1.00 0.00 C ATOM 1092 CD2 LEU A 66 -18.977 -11.414 2.751 1.00 0.00 C ATOM 0 H LEU A 66 -20.209 -7.683 4.175 1.00 0.00 H new ATOM 0 HA LEU A 66 -20.289 -10.431 5.219 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -17.842 -8.698 4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -17.808 -10.368 5.099 1.00 0.00 H new ATOM 0 HG LEU A 66 -18.693 -9.343 2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -16.662 -10.643 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -16.228 -9.376 2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -16.343 -11.073 3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -18.857 -11.687 1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -18.568 -12.204 3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -20.036 -11.285 2.973 1.00 0.00 H new ATOM 1104 N THR A 67 -19.279 -9.620 7.496 1.00 0.00 N ATOM 1105 CA THR A 67 -19.010 -9.103 8.837 1.00 0.00 C ATOM 1106 C THR A 67 -17.611 -8.488 8.836 1.00 0.00 C ATOM 1107 O THR A 67 -16.746 -8.921 8.068 1.00 0.00 O ATOM 1108 CB THR A 67 -19.112 -10.227 9.890 1.00 0.00 C ATOM 1109 OG1 THR A 67 -20.126 -11.152 9.533 1.00 0.00 O ATOM 1110 CG2 THR A 67 -19.393 -9.669 11.291 1.00 0.00 C ATOM 0 H THR A 67 -19.257 -10.638 7.435 1.00 0.00 H new ATOM 0 HA THR A 67 -19.750 -8.347 9.099 1.00 0.00 H new ATOM 0 HB THR A 67 -18.149 -10.736 9.914 1.00 0.00 H new ATOM 0 HG1 THR A 67 -20.999 -10.708 9.562 1.00 0.00 H new ATOM 0 HG21 THR A 67 -19.458 -10.491 12.004 1.00 0.00 H new ATOM 0 HG22 THR A 67 -18.586 -8.998 11.584 1.00 0.00 H new ATOM 0 HG23 THR A 67 -20.335 -9.121 11.282 1.00 0.00 H new ATOM 1118 N MET A 68 -17.371 -7.529 9.730 1.00 0.00 N ATOM 1119 CA MET A 68 -16.089 -6.862 9.866 1.00 0.00 C ATOM 1120 C MET A 68 -14.985 -7.897 10.096 1.00 0.00 C ATOM 1121 O MET A 68 -13.987 -7.871 9.389 1.00 0.00 O ATOM 1122 CB MET A 68 -16.182 -5.837 11.003 1.00 0.00 C ATOM 1123 CG MET A 68 -14.863 -5.096 11.226 1.00 0.00 C ATOM 1124 SD MET A 68 -14.320 -4.055 9.846 1.00 0.00 S ATOM 1125 CE MET A 68 -15.440 -2.650 10.081 1.00 0.00 C ATOM 0 H MET A 68 -18.076 -7.193 10.387 1.00 0.00 H new ATOM 0 HA MET A 68 -15.834 -6.326 8.952 1.00 0.00 H new ATOM 0 HB2 MET A 68 -16.967 -5.116 10.776 1.00 0.00 H new ATOM 0 HB3 MET A 68 -16.471 -6.344 11.923 1.00 0.00 H new ATOM 0 HG2 MET A 68 -14.961 -4.472 12.114 1.00 0.00 H new ATOM 0 HG3 MET A 68 -14.084 -5.829 11.436 1.00 0.00 H new ATOM 0 HE1 MET A 68 -15.225 -1.885 9.335 1.00 0.00 H new ATOM 0 HE2 MET A 68 -16.472 -2.985 9.971 1.00 0.00 H new ATOM 0 HE3 MET A 68 -15.298 -2.234 11.079 1.00 0.00 H new ATOM 1135 N GLU A 69 -15.178 -8.858 11.006 1.00 0.00 N ATOM 1136 CA GLU A 69 -14.182 -9.893 11.298 1.00 0.00 C ATOM 1137 C GLU A 69 -13.856 -10.738 10.060 1.00 0.00 C ATOM 1138 O GLU A 69 -12.724 -11.205 9.918 1.00 0.00 O ATOM 1139 CB GLU A 69 -14.667 -10.763 12.469 1.00 0.00 C ATOM 1140 CG GLU A 69 -13.782 -11.990 12.719 1.00 0.00 C ATOM 1141 CD GLU A 69 -14.104 -12.676 14.043 1.00 0.00 C ATOM 1142 OE1 GLU A 69 -15.116 -13.412 14.110 1.00 0.00 O ATOM 1143 OE2 GLU A 69 -13.352 -12.512 15.034 1.00 0.00 O ATOM 0 H GLU A 69 -16.030 -8.940 11.561 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.252 -9.405 11.589 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.700 -10.157 13.374 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.686 -11.093 12.270 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.912 -12.701 11.903 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.735 -11.687 12.715 1.00 0.00 H new ATOM 1150 N VAL A 70 -14.832 -10.989 9.186 1.00 0.00 N ATOM 1151 CA VAL A 70 -14.602 -11.763 7.973 1.00 0.00 C ATOM 1152 C VAL A 70 -13.655 -10.949 7.090 1.00 0.00 C ATOM 1153 O VAL A 70 -12.541 -11.388 6.809 1.00 0.00 O ATOM 1154 CB VAL A 70 -15.930 -12.141 7.281 1.00 0.00 C ATOM 1155 CG1 VAL A 70 -15.692 -12.895 5.966 1.00 0.00 C ATOM 1156 CG2 VAL A 70 -16.799 -13.024 8.194 1.00 0.00 C ATOM 0 H VAL A 70 -15.792 -10.664 9.300 1.00 0.00 H new ATOM 0 HA VAL A 70 -14.135 -12.722 8.199 1.00 0.00 H new ATOM 0 HB VAL A 70 -16.445 -11.203 7.070 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.651 -13.143 5.510 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -15.118 -12.267 5.285 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -15.138 -13.812 6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.728 -13.275 7.681 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -16.259 -13.940 8.436 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -17.027 -12.484 9.113 1.00 0.00 H new ATOM 1166 N VAL A 71 -14.085 -9.748 6.702 1.00 0.00 N ATOM 1167 CA VAL A 71 -13.333 -8.823 5.857 1.00 0.00 C ATOM 1168 C VAL A 71 -11.927 -8.562 6.406 1.00 0.00 C ATOM 1169 O VAL A 71 -10.972 -8.495 5.634 1.00 0.00 O ATOM 1170 CB VAL A 71 -14.140 -7.509 5.756 1.00 0.00 C ATOM 1171 CG1 VAL A 71 -13.409 -6.343 5.081 1.00 0.00 C ATOM 1172 CG2 VAL A 71 -15.428 -7.737 4.980 1.00 0.00 C ATOM 0 H VAL A 71 -14.996 -9.381 6.977 1.00 0.00 H new ATOM 0 HA VAL A 71 -13.198 -9.263 4.869 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.319 -7.228 6.794 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.060 -5.469 5.060 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.504 -6.108 5.641 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.143 -6.622 4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -15.985 -6.802 4.917 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -15.190 -8.086 3.975 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -16.033 -8.486 5.491 1.00 0.00 H new ATOM 1182 N CYS A 72 -11.807 -8.415 7.722 1.00 0.00 N ATOM 1183 CA CYS A 72 -10.578 -8.133 8.441 1.00 0.00 C ATOM 1184 C CYS A 72 -9.615 -9.303 8.355 1.00 0.00 C ATOM 1185 O CYS A 72 -8.502 -9.111 7.868 1.00 0.00 O ATOM 1186 CB CYS A 72 -10.875 -7.703 9.884 1.00 0.00 C ATOM 1187 SG CYS A 72 -9.406 -6.906 10.591 1.00 0.00 S ATOM 0 H CYS A 72 -12.611 -8.495 8.345 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.079 -7.290 7.963 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -11.720 -7.015 9.903 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -11.156 -8.570 10.483 1.00 0.00 H new ATOM 0 HG CYS A 72 -9.657 -6.539 11.813 1.00 0.00 H new ATOM 1193 N ALA A 73 -10.029 -10.499 8.791 1.00 0.00 N ATOM 1194 CA ALA A 73 -9.180 -11.685 8.737 1.00 0.00 C ATOM 1195 C ALA A 73 -8.695 -11.910 7.302 1.00 0.00 C ATOM 1196 O ALA A 73 -7.544 -12.292 7.076 1.00 0.00 O ATOM 1197 CB ALA A 73 -9.961 -12.903 9.229 1.00 0.00 C ATOM 0 H ALA A 73 -10.954 -10.667 9.187 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.314 -11.538 9.382 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.323 -13.786 9.187 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.284 -12.737 10.257 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.834 -13.056 8.595 1.00 0.00 H new ATOM 1203 N ARG A 74 -9.587 -11.664 6.339 1.00 0.00 N ATOM 1204 CA ARG A 74 -9.341 -11.794 4.914 1.00 0.00 C ATOM 1205 C ARG A 74 -8.320 -10.772 4.422 1.00 0.00 C ATOM 1206 O ARG A 74 -7.506 -11.092 3.555 1.00 0.00 O ATOM 1207 CB ARG A 74 -10.699 -11.605 4.205 1.00 0.00 C ATOM 1208 CG ARG A 74 -11.535 -12.895 4.225 1.00 0.00 C ATOM 1209 CD ARG A 74 -11.007 -13.877 3.176 1.00 0.00 C ATOM 1210 NE ARG A 74 -11.496 -15.246 3.386 1.00 0.00 N ATOM 1211 CZ ARG A 74 -11.015 -16.336 2.782 1.00 0.00 C ATOM 1212 NH1 ARG A 74 -9.954 -16.255 1.984 1.00 0.00 N ATOM 1213 NH2 ARG A 74 -11.595 -17.509 3.004 1.00 0.00 N ATOM 0 H ARG A 74 -10.537 -11.357 6.547 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.918 -12.774 4.692 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -11.255 -10.803 4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -10.531 -11.296 3.173 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -11.493 -13.350 5.215 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -12.581 -12.663 4.024 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -11.304 -13.537 2.184 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.917 -13.877 3.200 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.264 -15.375 4.045 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.500 -15.355 1.829 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.594 -17.093 1.527 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.398 -17.570 3.630 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.237 -18.349 2.549 1.00 0.00 H new ATOM 1227 N MET A 75 -8.372 -9.537 4.919 1.00 0.00 N ATOM 1228 CA MET A 75 -7.455 -8.493 4.500 1.00 0.00 C ATOM 1229 C MET A 75 -6.086 -8.686 5.133 1.00 0.00 C ATOM 1230 O MET A 75 -5.087 -8.729 4.420 1.00 0.00 O ATOM 1231 CB MET A 75 -8.004 -7.100 4.837 1.00 0.00 C ATOM 1232 CG MET A 75 -7.929 -6.196 3.605 1.00 0.00 C ATOM 1233 SD MET A 75 -8.853 -4.662 3.806 1.00 0.00 S ATOM 1234 CE MET A 75 -10.482 -5.364 3.444 1.00 0.00 C ATOM 0 H MET A 75 -9.050 -9.239 5.620 1.00 0.00 H new ATOM 0 HA MET A 75 -7.351 -8.565 3.417 1.00 0.00 H new ATOM 0 HB2 MET A 75 -9.036 -7.180 5.178 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.431 -6.662 5.655 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.885 -5.961 3.395 1.00 0.00 H new ATOM 0 HG3 MET A 75 -8.314 -6.736 2.740 1.00 0.00 H new ATOM 0 HE1 MET A 75 -11.233 -4.575 3.474 1.00 0.00 H new ATOM 0 HE2 MET A 75 -10.471 -5.817 2.453 1.00 0.00 H new ATOM 0 HE3 MET A 75 -10.724 -6.124 4.187 1.00 0.00 H new ATOM 1244 N VAL A 76 -6.034 -8.773 6.464 1.00 0.00 N ATOM 1245 CA VAL A 76 -4.792 -8.913 7.202 1.00 0.00 C ATOM 1246 C VAL A 76 -4.002 -10.151 6.780 1.00 0.00 C ATOM 1247 O VAL A 76 -2.778 -10.076 6.719 1.00 0.00 O ATOM 1248 CB VAL A 76 -5.065 -8.777 8.711 1.00 0.00 C ATOM 1249 CG1 VAL A 76 -5.620 -10.046 9.360 1.00 0.00 C ATOM 1250 CG2 VAL A 76 -3.796 -8.317 9.427 1.00 0.00 C ATOM 0 H VAL A 76 -6.863 -8.747 7.058 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.118 -8.096 6.946 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.849 -8.027 8.817 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.785 -9.869 10.423 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.564 -10.314 8.886 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.907 -10.861 9.235 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.995 -8.222 10.495 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.004 -9.048 9.269 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.483 -7.352 9.029 1.00 0.00 H new ATOM 1260 N ASP A 77 -4.658 -11.260 6.424 1.00 0.00 N ATOM 1261 CA ASP A 77 -3.937 -12.465 5.986 1.00 0.00 C ATOM 1262 C ASP A 77 -3.143 -12.187 4.709 1.00 0.00 C ATOM 1263 O ASP A 77 -2.138 -12.835 4.431 1.00 0.00 O ATOM 1264 CB ASP A 77 -4.929 -13.589 5.692 1.00 0.00 C ATOM 1265 CG ASP A 77 -4.256 -14.850 5.143 1.00 0.00 C ATOM 1266 OD1 ASP A 77 -3.462 -15.493 5.868 1.00 0.00 O ATOM 1267 OD2 ASP A 77 -4.633 -15.275 4.027 1.00 0.00 O ATOM 0 H ASP A 77 -5.674 -11.351 6.429 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.257 -12.756 6.786 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.468 -13.839 6.606 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.668 -13.236 4.973 1.00 0.00 H new ATOM 1272 N SER A 78 -3.580 -11.209 3.912 1.00 0.00 N ATOM 1273 CA SER A 78 -2.923 -10.848 2.675 1.00 0.00 C ATOM 1274 C SER A 78 -1.635 -10.060 2.937 1.00 0.00 C ATOM 1275 O SER A 78 -0.933 -9.717 1.982 1.00 0.00 O ATOM 1276 CB SER A 78 -3.920 -10.113 1.766 1.00 0.00 C ATOM 1277 OG SER A 78 -3.621 -10.356 0.404 1.00 0.00 O ATOM 0 H SER A 78 -4.406 -10.647 4.117 1.00 0.00 H new ATOM 0 HA SER A 78 -2.605 -11.748 2.149 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.935 -10.444 1.986 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.884 -9.042 1.967 1.00 0.00 H new ATOM 0 HG SER A 78 -4.266 -9.882 -0.162 1.00 0.00 H new ATOM 1283 N CYS A 79 -1.283 -9.770 4.196 1.00 0.00 N ATOM 1284 CA CYS A 79 -0.063 -9.036 4.487 1.00 0.00 C ATOM 1285 C CYS A 79 1.200 -9.888 4.313 1.00 0.00 C ATOM 1286 O CYS A 79 2.289 -9.317 4.313 1.00 0.00 O ATOM 1287 CB CYS A 79 -0.146 -8.328 5.846 1.00 0.00 C ATOM 1288 SG CYS A 79 0.117 -9.468 7.219 1.00 0.00 S ATOM 0 H CYS A 79 -1.826 -10.034 5.018 1.00 0.00 H new ATOM 0 HA CYS A 79 0.029 -8.250 3.737 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.599 -7.533 5.887 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.123 -7.855 5.949 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.989 -10.101 7.476 1.00 0.00 H new ATOM 1294 N GLN A 80 1.060 -11.205 4.096 1.00 0.00 N ATOM 1295 CA GLN A 80 2.117 -12.208 3.900 1.00 0.00 C ATOM 1296 C GLN A 80 2.951 -12.031 2.613 1.00 0.00 C ATOM 1297 O GLN A 80 3.393 -13.007 2.004 1.00 0.00 O ATOM 1298 CB GLN A 80 1.473 -13.606 3.982 1.00 0.00 C ATOM 1299 CG GLN A 80 0.474 -13.953 2.860 1.00 0.00 C ATOM 1300 CD GLN A 80 -0.265 -15.272 3.110 1.00 0.00 C ATOM 1301 OE1 GLN A 80 -0.344 -15.789 4.225 1.00 0.00 O ATOM 1302 NE2 GLN A 80 -0.806 -15.885 2.073 1.00 0.00 N ATOM 0 H GLN A 80 0.133 -11.628 4.050 1.00 0.00 H new ATOM 0 HA GLN A 80 2.850 -12.073 4.695 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.268 -14.352 3.978 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.959 -13.693 4.939 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -0.253 -13.147 2.765 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.007 -14.015 1.911 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.747 -15.466 1.145 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.283 -16.777 2.200 1.00 0.00 H new ATOM 1311 N THR A 81 3.132 -10.798 2.152 1.00 0.00 N ATOM 1312 CA THR A 81 3.862 -10.456 0.954 1.00 0.00 C ATOM 1313 C THR A 81 5.107 -9.634 1.306 1.00 0.00 C ATOM 1314 O THR A 81 6.214 -10.179 1.297 1.00 0.00 O ATOM 1315 CB THR A 81 2.859 -9.880 -0.072 1.00 0.00 C ATOM 1316 OG1 THR A 81 3.483 -9.684 -1.321 1.00 0.00 O ATOM 1317 CG2 THR A 81 2.137 -8.585 0.332 1.00 0.00 C ATOM 0 H THR A 81 2.754 -9.980 2.630 1.00 0.00 H new ATOM 0 HA THR A 81 4.300 -11.316 0.447 1.00 0.00 H new ATOM 0 HB THR A 81 2.081 -10.642 -0.123 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.833 -9.321 -1.958 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.461 -8.280 -0.467 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.566 -8.756 1.244 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.871 -7.798 0.506 1.00 0.00 H new ATOM 1325 N ALA A 82 4.958 -8.342 1.618 1.00 0.00 N ATOM 1326 CA ALA A 82 6.055 -7.440 1.960 1.00 0.00 C ATOM 1327 C ALA A 82 5.556 -6.106 2.540 1.00 0.00 C ATOM 1328 O ALA A 82 6.137 -5.047 2.273 1.00 0.00 O ATOM 1329 CB ALA A 82 6.908 -7.188 0.710 1.00 0.00 C ATOM 0 H ALA A 82 4.046 -7.886 1.639 1.00 0.00 H new ATOM 0 HA ALA A 82 6.654 -7.918 2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.729 -6.515 0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.311 -8.134 0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.291 -6.736 -0.066 1.00 0.00 H new ATOM 1335 N LEU A 83 4.427 -6.118 3.247 1.00 0.00 N ATOM 1336 CA LEU A 83 3.838 -4.932 3.857 1.00 0.00 C ATOM 1337 C LEU A 83 3.346 -5.282 5.255 1.00 0.00 C ATOM 1338 O LEU A 83 3.205 -6.458 5.601 1.00 0.00 O ATOM 1339 CB LEU A 83 2.766 -4.300 2.943 1.00 0.00 C ATOM 1340 CG LEU A 83 1.734 -5.253 2.316 1.00 0.00 C ATOM 1341 CD1 LEU A 83 0.751 -5.801 3.343 1.00 0.00 C ATOM 1342 CD2 LEU A 83 0.921 -4.529 1.243 1.00 0.00 C ATOM 0 H LEU A 83 3.888 -6.968 3.414 1.00 0.00 H new ATOM 0 HA LEU A 83 4.592 -4.153 3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.227 -3.550 3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.276 -3.774 2.136 1.00 0.00 H new ATOM 0 HG LEU A 83 2.304 -6.078 1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.044 -6.468 2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.295 -6.352 4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.209 -4.975 3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.196 -5.218 0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.397 -3.685 1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.590 -4.168 0.462 1.00 0.00 H new ATOM 1354 N SER A 84 3.120 -4.261 6.074 1.00 0.00 N ATOM 1355 CA SER A 84 2.656 -4.418 7.443 1.00 0.00 C ATOM 1356 C SER A 84 1.127 -4.505 7.501 1.00 0.00 C ATOM 1357 O SER A 84 0.456 -3.950 6.625 1.00 0.00 O ATOM 1358 CB SER A 84 3.114 -3.187 8.230 1.00 0.00 C ATOM 1359 OG SER A 84 4.522 -3.075 8.187 1.00 0.00 O ATOM 0 H SER A 84 3.257 -3.288 5.800 1.00 0.00 H new ATOM 0 HA SER A 84 3.064 -5.338 7.862 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.658 -2.289 7.813 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.780 -3.263 9.265 1.00 0.00 H new ATOM 0 HG SER A 84 4.803 -2.283 8.692 1.00 0.00 H new ATOM 1365 N PRO A 85 0.548 -5.100 8.561 1.00 0.00 N ATOM 1366 CA PRO A 85 -0.899 -5.201 8.713 1.00 0.00 C ATOM 1367 C PRO A 85 -1.502 -3.796 8.859 1.00 0.00 C ATOM 1368 O PRO A 85 -2.653 -3.581 8.477 1.00 0.00 O ATOM 1369 CB PRO A 85 -1.124 -6.102 9.929 1.00 0.00 C ATOM 1370 CG PRO A 85 0.162 -5.966 10.737 1.00 0.00 C ATOM 1371 CD PRO A 85 1.220 -5.782 9.655 1.00 0.00 C ATOM 0 HA PRO A 85 -1.398 -5.637 7.847 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.992 -5.784 10.506 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -1.300 -7.136 9.632 1.00 0.00 H new ATOM 0 HG2 PRO A 85 0.125 -5.114 11.416 1.00 0.00 H new ATOM 0 HG3 PRO A 85 0.354 -6.850 11.345 1.00 0.00 H new ATOM 0 HD2 PRO A 85 2.061 -5.195 10.025 1.00 0.00 H new ATOM 0 HD3 PRO A 85 1.620 -6.743 9.331 1.00 0.00 H new ATOM 1379 N GLY A 86 -0.717 -2.821 9.333 1.00 0.00 N ATOM 1380 CA GLY A 86 -1.147 -1.444 9.487 1.00 0.00 C ATOM 1381 C GLY A 86 -1.317 -0.779 8.119 1.00 0.00 C ATOM 1382 O GLY A 86 -2.045 0.205 8.021 1.00 0.00 O ATOM 0 H GLY A 86 0.248 -2.979 9.622 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.089 -1.410 10.034 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -0.416 -0.892 10.078 1.00 0.00 H new ATOM 1386 N GLU A 87 -0.636 -1.241 7.060 1.00 0.00 N ATOM 1387 CA GLU A 87 -0.804 -0.652 5.728 1.00 0.00 C ATOM 1388 C GLU A 87 -2.165 -1.095 5.183 1.00 0.00 C ATOM 1389 O GLU A 87 -2.827 -0.337 4.481 1.00 0.00 O ATOM 1390 CB GLU A 87 0.336 -1.037 4.773 1.00 0.00 C ATOM 1391 CG GLU A 87 1.660 -0.387 5.198 1.00 0.00 C ATOM 1392 CD GLU A 87 2.664 -0.329 4.046 1.00 0.00 C ATOM 1393 OE1 GLU A 87 2.681 0.695 3.324 1.00 0.00 O ATOM 1394 OE2 GLU A 87 3.479 -1.267 3.893 1.00 0.00 O ATOM 0 H GLU A 87 0.029 -2.013 7.101 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.767 0.434 5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.449 -2.121 4.756 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.085 -0.727 3.759 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.468 0.622 5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.091 -0.949 6.027 1.00 0.00 H new ATOM 1401 N MET A 88 -2.604 -2.300 5.562 1.00 0.00 N ATOM 1402 CA MET A 88 -3.881 -2.876 5.175 1.00 0.00 C ATOM 1403 C MET A 88 -5.008 -1.977 5.702 1.00 0.00 C ATOM 1404 O MET A 88 -5.977 -1.688 5.001 1.00 0.00 O ATOM 1405 CB MET A 88 -3.974 -4.287 5.778 1.00 0.00 C ATOM 1406 CG MET A 88 -4.846 -5.208 4.942 1.00 0.00 C ATOM 1407 SD MET A 88 -4.144 -5.643 3.333 1.00 0.00 S ATOM 1408 CE MET A 88 -2.697 -6.610 3.833 1.00 0.00 C ATOM 0 H MET A 88 -2.058 -2.915 6.165 1.00 0.00 H new ATOM 0 HA MET A 88 -3.972 -2.945 4.091 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.974 -4.712 5.861 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.378 -4.223 6.788 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.030 -6.124 5.504 1.00 0.00 H new ATOM 0 HG3 MET A 88 -5.813 -4.730 4.786 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.306 -7.151 2.972 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.929 -5.941 4.221 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.984 -7.321 4.608 1.00 0.00 H new ATOM 1418 N GLU A 89 -4.880 -1.546 6.960 1.00 0.00 N ATOM 1419 CA GLU A 89 -5.831 -0.669 7.637 1.00 0.00 C ATOM 1420 C GLU A 89 -5.835 0.670 6.904 1.00 0.00 C ATOM 1421 O GLU A 89 -6.891 1.184 6.544 1.00 0.00 O ATOM 1422 CB GLU A 89 -5.440 -0.495 9.109 1.00 0.00 C ATOM 1423 CG GLU A 89 -5.515 -1.822 9.876 1.00 0.00 C ATOM 1424 CD GLU A 89 -4.916 -1.767 11.284 1.00 0.00 C ATOM 1425 OE1 GLU A 89 -4.194 -0.799 11.626 1.00 0.00 O ATOM 1426 OE2 GLU A 89 -5.098 -2.757 12.029 1.00 0.00 O ATOM 0 H GLU A 89 -4.089 -1.806 7.549 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.832 -1.101 7.619 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.428 -0.095 9.172 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.101 0.234 9.578 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.559 -2.128 9.949 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.997 -2.590 9.302 1.00 0.00 H new ATOM 1433 N LYS A 90 -4.653 1.226 6.618 1.00 0.00 N ATOM 1434 CA LYS A 90 -4.571 2.481 5.895 1.00 0.00 C ATOM 1435 C LYS A 90 -5.184 2.385 4.506 1.00 0.00 C ATOM 1436 O LYS A 90 -5.624 3.408 3.984 1.00 0.00 O ATOM 1437 CB LYS A 90 -3.125 2.896 5.742 1.00 0.00 C ATOM 1438 CG LYS A 90 -2.607 3.433 7.065 1.00 0.00 C ATOM 1439 CD LYS A 90 -1.221 3.985 6.791 1.00 0.00 C ATOM 1440 CE LYS A 90 -0.892 5.022 7.849 1.00 0.00 C ATOM 1441 NZ LYS A 90 -0.159 6.132 7.223 1.00 0.00 N ATOM 0 H LYS A 90 -3.752 0.824 6.877 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.129 3.216 6.475 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.524 2.045 5.423 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.035 3.658 4.968 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.265 4.211 7.453 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.569 2.644 7.816 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.484 3.182 6.807 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.182 4.433 5.798 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.807 5.390 8.312 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.292 4.574 8.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.129 6.814 7.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.686 5.763 6.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.773 6.606 6.530 1.00 0.00 H new ATOM 1455 N HIS A 91 -5.184 1.209 3.875 1.00 0.00 N ATOM 1456 CA HIS A 91 -5.738 1.075 2.551 1.00 0.00 C ATOM 1457 C HIS A 91 -7.252 1.162 2.599 1.00 0.00 C ATOM 1458 O HIS A 91 -7.817 1.944 1.835 1.00 0.00 O ATOM 1459 CB HIS A 91 -5.264 -0.230 1.889 1.00 0.00 C ATOM 1460 CG HIS A 91 -5.935 -0.470 0.561 1.00 0.00 C ATOM 1461 ND1 HIS A 91 -7.183 -1.002 0.381 1.00 0.00 N flip ATOM 1462 CD2 HIS A 91 -5.504 -0.004 -0.656 1.00 0.00 C flip ATOM 1463 CE1 HIS A 91 -7.526 -0.828 -0.963 1.00 0.00 C flip ATOM 1464 NE2 HIS A 91 -6.485 -0.212 -1.547 1.00 0.00 N flip ATOM 0 H HIS A 91 -4.806 0.347 4.268 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.377 1.900 1.937 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -4.184 -0.192 1.747 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.469 -1.069 2.555 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -4.545 0.450 -0.860 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -8.447 -1.130 -1.439 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -6.446 0.059 -2.529 1.00 0.00 H new ATOM 1472 N LEU A 92 -7.912 0.366 3.446 1.00 0.00 N ATOM 1473 CA LEU A 92 -9.368 0.387 3.512 1.00 0.00 C ATOM 1474 C LEU A 92 -9.907 1.762 3.888 1.00 0.00 C ATOM 1475 O LEU A 92 -10.835 2.218 3.221 1.00 0.00 O ATOM 1476 CB LEU A 92 -9.922 -0.764 4.366 1.00 0.00 C ATOM 1477 CG LEU A 92 -9.650 -0.658 5.876 1.00 0.00 C ATOM 1478 CD1 LEU A 92 -10.798 -0.003 6.657 1.00 0.00 C ATOM 1479 CD2 LEU A 92 -9.392 -2.042 6.460 1.00 0.00 C ATOM 0 H LEU A 92 -7.465 -0.291 4.085 1.00 0.00 H new ATOM 0 HA LEU A 92 -9.746 0.203 2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.999 -0.822 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -9.497 -1.700 4.003 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.773 -0.019 5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.540 0.040 7.715 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.963 1.007 6.282 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.707 -0.591 6.529 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.201 -1.956 7.530 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -10.265 -2.674 6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.526 -2.487 5.971 1.00 0.00 H new ATOM 1491 N VAL A 93 -9.318 2.451 4.872 1.00 0.00 N ATOM 1492 CA VAL A 93 -9.817 3.769 5.254 1.00 0.00 C ATOM 1493 C VAL A 93 -9.601 4.767 4.111 1.00 0.00 C ATOM 1494 O VAL A 93 -10.513 5.520 3.788 1.00 0.00 O ATOM 1495 CB VAL A 93 -9.244 4.213 6.618 1.00 0.00 C ATOM 1496 CG1 VAL A 93 -7.735 4.484 6.601 1.00 0.00 C ATOM 1497 CG2 VAL A 93 -9.981 5.446 7.160 1.00 0.00 C ATOM 0 H VAL A 93 -8.513 2.124 5.406 1.00 0.00 H new ATOM 0 HA VAL A 93 -10.895 3.724 5.411 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.407 3.364 7.282 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.409 4.791 7.595 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.206 3.577 6.310 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.516 5.277 5.886 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -9.553 5.732 8.121 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.876 6.271 6.456 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.038 5.211 7.289 1.00 0.00 H new ATOM 1507 N LEU A 94 -8.433 4.756 3.451 1.00 0.00 N ATOM 1508 CA LEU A 94 -8.138 5.666 2.352 1.00 0.00 C ATOM 1509 C LEU A 94 -9.136 5.469 1.215 1.00 0.00 C ATOM 1510 O LEU A 94 -9.652 6.420 0.629 1.00 0.00 O ATOM 1511 CB LEU A 94 -6.707 5.373 1.860 1.00 0.00 C ATOM 1512 CG LEU A 94 -6.362 5.954 0.482 1.00 0.00 C ATOM 1513 CD1 LEU A 94 -6.590 7.472 0.353 1.00 0.00 C ATOM 1514 CD2 LEU A 94 -4.866 5.733 0.211 1.00 0.00 C ATOM 0 H LEU A 94 -7.672 4.113 3.670 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.217 6.699 2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.000 5.767 2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.564 4.293 1.828 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.023 5.445 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.321 7.796 -0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.640 7.699 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.971 7.996 1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.609 6.142 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.279 6.235 0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.647 4.665 0.226 1.00 0.00 H new ATOM 1526 N LEU A 95 -9.386 4.212 0.872 1.00 0.00 N ATOM 1527 CA LEU A 95 -10.288 3.891 -0.210 1.00 0.00 C ATOM 1528 C LEU A 95 -11.717 4.267 0.118 1.00 0.00 C ATOM 1529 O LEU A 95 -12.431 4.722 -0.770 1.00 0.00 O ATOM 1530 CB LEU A 95 -10.192 2.403 -0.520 1.00 0.00 C ATOM 1531 CG LEU A 95 -10.172 2.172 -2.033 1.00 0.00 C ATOM 1532 CD1 LEU A 95 -8.755 2.341 -2.582 1.00 0.00 C ATOM 1533 CD2 LEU A 95 -10.632 0.760 -2.351 1.00 0.00 C ATOM 0 H LEU A 95 -8.973 3.401 1.333 1.00 0.00 H new ATOM 0 HA LEU A 95 -9.994 4.472 -1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.289 1.989 -0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -11.038 1.878 -0.077 1.00 0.00 H new ATOM 0 HG LEU A 95 -10.839 2.902 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.760 2.173 -3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.402 3.351 -2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.092 1.619 -2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.614 0.606 -3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -9.966 0.043 -1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.647 0.616 -1.981 1.00 0.00 H new ATOM 1545 N ALA A 96 -12.165 4.035 1.349 1.00 0.00 N ATOM 1546 CA ALA A 96 -13.525 4.375 1.739 1.00 0.00 C ATOM 1547 C ALA A 96 -13.705 5.893 1.807 1.00 0.00 C ATOM 1548 O ALA A 96 -14.815 6.376 1.626 1.00 0.00 O ATOM 1549 CB ALA A 96 -13.874 3.697 3.059 1.00 0.00 C ATOM 0 H ALA A 96 -11.605 3.614 2.090 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.218 4.006 0.983 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -14.894 3.957 3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.794 2.616 2.945 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -13.185 4.033 3.834 1.00 0.00 H new ATOM 1555 N GLU A 97 -12.629 6.650 2.017 1.00 0.00 N ATOM 1556 CA GLU A 97 -12.676 8.101 2.080 1.00 0.00 C ATOM 1557 C GLU A 97 -13.035 8.634 0.690 1.00 0.00 C ATOM 1558 O GLU A 97 -14.025 9.349 0.528 1.00 0.00 O ATOM 1559 CB GLU A 97 -11.320 8.615 2.598 1.00 0.00 C ATOM 1560 CG GLU A 97 -11.339 10.047 3.150 1.00 0.00 C ATOM 1561 CD GLU A 97 -11.593 11.137 2.109 1.00 0.00 C ATOM 1562 OE1 GLU A 97 -10.629 11.614 1.470 1.00 0.00 O ATOM 1563 OE2 GLU A 97 -12.765 11.559 1.945 1.00 0.00 O ATOM 0 H GLU A 97 -11.694 6.265 2.149 1.00 0.00 H new ATOM 0 HA GLU A 97 -13.439 8.457 2.772 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -10.969 7.944 3.382 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.594 8.564 1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -12.108 10.114 3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -10.384 10.246 3.636 1.00 0.00 H new ATOM 1570 N LEU A 98 -12.262 8.257 -0.335 1.00 0.00 N ATOM 1571 CA LEU A 98 -12.510 8.727 -1.695 1.00 0.00 C ATOM 1572 C LEU A 98 -13.666 8.010 -2.380 1.00 0.00 C ATOM 1573 O LEU A 98 -14.322 8.624 -3.222 1.00 0.00 O ATOM 1574 CB LEU A 98 -11.265 8.562 -2.585 1.00 0.00 C ATOM 1575 CG LEU A 98 -10.152 9.605 -2.401 1.00 0.00 C ATOM 1576 CD1 LEU A 98 -10.662 11.044 -2.563 1.00 0.00 C ATOM 1577 CD2 LEU A 98 -9.409 9.438 -1.076 1.00 0.00 C ATOM 0 H LEU A 98 -11.463 7.630 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 98 -12.767 9.780 -1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.842 7.574 -2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.584 8.583 -3.627 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.439 9.418 -3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.836 11.741 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.079 11.172 -3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.434 11.242 -1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.633 10.199 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.111 9.546 -0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.952 8.449 -1.037 1.00 0.00 H new ATOM 1589 N LEU A 99 -13.912 6.736 -2.068 1.00 0.00 N ATOM 1590 CA LEU A 99 -14.978 5.946 -2.688 1.00 0.00 C ATOM 1591 C LEU A 99 -15.892 5.332 -1.610 1.00 0.00 C ATOM 1592 O LEU A 99 -15.931 4.102 -1.464 1.00 0.00 O ATOM 1593 CB LEU A 99 -14.438 4.929 -3.748 1.00 0.00 C ATOM 1594 CG LEU A 99 -12.933 4.927 -4.106 1.00 0.00 C ATOM 1595 CD1 LEU A 99 -12.508 3.580 -4.712 1.00 0.00 C ATOM 1596 CD2 LEU A 99 -12.590 6.012 -5.125 1.00 0.00 C ATOM 0 H LEU A 99 -13.373 6.220 -1.373 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.609 6.615 -3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -14.692 3.928 -3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.993 5.095 -4.671 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.402 5.112 -3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -11.445 3.609 -4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -12.695 2.782 -3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.081 3.392 -5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -11.524 5.977 -5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -13.159 5.845 -6.040 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -12.842 6.990 -4.714 1.00 0.00 H new ATOM 1608 N PRO A 100 -16.651 6.147 -0.852 1.00 0.00 N ATOM 1609 CA PRO A 100 -17.561 5.637 0.174 1.00 0.00 C ATOM 1610 C PRO A 100 -18.737 4.914 -0.491 1.00 0.00 C ATOM 1611 O PRO A 100 -19.390 4.063 0.108 1.00 0.00 O ATOM 1612 CB PRO A 100 -18.031 6.864 0.962 1.00 0.00 C ATOM 1613 CG PRO A 100 -17.910 8.006 -0.045 1.00 0.00 C ATOM 1614 CD PRO A 100 -16.716 7.602 -0.906 1.00 0.00 C ATOM 0 HA PRO A 100 -17.080 4.916 0.835 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -19.056 6.746 1.313 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -17.411 7.037 1.841 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -18.816 8.112 -0.641 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -17.741 8.962 0.451 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -16.841 7.948 -1.932 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -15.795 8.047 -0.529 1.00 0.00 H new ATOM 1622 N ASP A 101 -18.998 5.237 -1.760 1.00 0.00 N ATOM 1623 CA ASP A 101 -20.064 4.642 -2.540 1.00 0.00 C ATOM 1624 C ASP A 101 -19.717 3.187 -2.828 1.00 0.00 C ATOM 1625 O ASP A 101 -20.624 2.357 -2.933 1.00 0.00 O ATOM 1626 CB ASP A 101 -20.255 5.354 -3.889 1.00 0.00 C ATOM 1627 CG ASP A 101 -20.089 6.859 -3.783 1.00 0.00 C ATOM 1628 OD1 ASP A 101 -21.082 7.540 -3.459 1.00 0.00 O ATOM 1629 OD2 ASP A 101 -18.930 7.302 -3.980 1.00 0.00 O ATOM 0 H ASP A 101 -18.459 5.933 -2.275 1.00 0.00 H new ATOM 0 HA ASP A 101 -20.983 4.731 -1.961 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -19.535 4.962 -4.608 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -21.248 5.128 -4.278 1.00 0.00 H new ATOM 1634 N TRP A 102 -18.428 2.877 -3.009 1.00 0.00 N ATOM 1635 CA TRP A 102 -17.973 1.530 -3.302 1.00 0.00 C ATOM 1636 C TRP A 102 -17.730 0.755 -2.016 1.00 0.00 C ATOM 1637 O TRP A 102 -18.151 -0.398 -1.956 1.00 0.00 O ATOM 1638 CB TRP A 102 -16.718 1.547 -4.180 1.00 0.00 C ATOM 1639 CG TRP A 102 -16.346 0.202 -4.729 1.00 0.00 C ATOM 1640 CD1 TRP A 102 -17.161 -0.594 -5.456 1.00 0.00 C ATOM 1641 CD2 TRP A 102 -15.099 -0.547 -4.583 1.00 0.00 C ATOM 1642 NE1 TRP A 102 -16.497 -1.742 -5.822 1.00 0.00 N ATOM 1643 CE2 TRP A 102 -15.213 -1.768 -5.314 1.00 0.00 C ATOM 1644 CE3 TRP A 102 -13.887 -0.329 -3.895 1.00 0.00 C ATOM 1645 CZ2 TRP A 102 -14.176 -2.717 -5.356 1.00 0.00 C ATOM 1646 CZ3 TRP A 102 -12.861 -1.293 -3.911 1.00 0.00 C ATOM 1647 CH2 TRP A 102 -12.996 -2.484 -4.629 1.00 0.00 C ATOM 0 H TRP A 102 -17.675 3.563 -2.954 1.00 0.00 H new ATOM 0 HA TRP A 102 -18.759 1.023 -3.862 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -16.875 2.237 -5.009 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -15.883 1.935 -3.597 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -18.184 -0.363 -5.712 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -16.902 -2.481 -6.396 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -13.744 0.591 -3.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -14.286 -3.617 -5.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -11.952 -1.108 -3.358 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -12.203 -3.217 -4.625 1.00 0.00 H new ATOM 1658 N LEU A 103 -17.045 1.336 -1.023 1.00 0.00 N ATOM 1659 CA LEU A 103 -16.790 0.659 0.243 1.00 0.00 C ATOM 1660 C LEU A 103 -17.593 1.391 1.294 1.00 0.00 C ATOM 1661 O LEU A 103 -17.361 2.563 1.587 1.00 0.00 O ATOM 1662 CB LEU A 103 -15.308 0.752 0.606 1.00 0.00 C ATOM 1663 CG LEU A 103 -14.838 0.105 1.911 1.00 0.00 C ATOM 1664 CD1 LEU A 103 -15.404 -1.304 2.076 1.00 0.00 C ATOM 1665 CD2 LEU A 103 -13.296 0.029 1.889 1.00 0.00 C ATOM 0 H LEU A 103 -16.658 2.278 -1.078 1.00 0.00 H new ATOM 0 HA LEU A 103 -17.065 -0.394 0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -14.738 0.308 -0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -15.041 1.808 0.643 1.00 0.00 H new ATOM 0 HG LEU A 103 -15.191 0.709 2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -15.049 -1.731 3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -16.493 -1.260 2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -15.075 -1.928 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.941 -0.430 2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -12.973 -0.571 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.883 1.034 1.801 1.00 0.00 H new ATOM 1677 N SER A 104 -18.452 0.636 1.941 1.00 0.00 N ATOM 1678 CA SER A 104 -19.331 1.150 2.980 1.00 0.00 C ATOM 1679 C SER A 104 -19.429 0.168 4.133 1.00 0.00 C ATOM 1680 O SER A 104 -19.176 -1.027 3.960 1.00 0.00 O ATOM 1681 CB SER A 104 -20.695 1.544 2.387 1.00 0.00 C ATOM 1682 OG SER A 104 -21.256 0.551 1.545 1.00 0.00 O ATOM 0 H SER A 104 -18.565 -0.362 1.763 1.00 0.00 H new ATOM 0 HA SER A 104 -18.906 2.063 3.397 1.00 0.00 H new ATOM 0 HB2 SER A 104 -21.389 1.753 3.201 1.00 0.00 H new ATOM 0 HB3 SER A 104 -20.582 2.468 1.820 1.00 0.00 H new ATOM 0 HG SER A 104 -22.120 0.862 1.203 1.00 0.00 H new ATOM 1688 N LEU A 105 -19.764 0.676 5.320 1.00 0.00 N ATOM 1689 CA LEU A 105 -19.916 -0.114 6.530 1.00 0.00 C ATOM 1690 C LEU A 105 -21.269 0.187 7.144 1.00 0.00 C ATOM 1691 O LEU A 105 -21.835 1.259 6.930 1.00 0.00 O ATOM 1692 CB LEU A 105 -18.718 0.046 7.484 1.00 0.00 C ATOM 1693 CG LEU A 105 -18.547 1.414 8.175 1.00 0.00 C ATOM 1694 CD1 LEU A 105 -19.478 1.612 9.384 1.00 0.00 C ATOM 1695 CD2 LEU A 105 -17.100 1.535 8.669 1.00 0.00 C ATOM 0 H LEU A 105 -19.940 1.670 5.464 1.00 0.00 H new ATOM 0 HA LEU A 105 -19.904 -1.177 6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -18.799 -0.716 8.259 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -17.808 -0.165 6.922 1.00 0.00 H new ATOM 0 HG LEU A 105 -18.802 2.174 7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -19.303 2.595 9.821 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -20.516 1.538 9.060 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -19.275 0.843 10.129 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -16.963 2.498 9.161 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -16.889 0.733 9.376 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -16.419 1.460 7.821 1.00 0.00 H new ATOM 1707 N HIS A 106 -21.770 -0.771 7.914 1.00 0.00 N ATOM 1708 CA HIS A 106 -23.048 -0.715 8.585 1.00 0.00 C ATOM 1709 C HIS A 106 -22.856 -1.284 9.982 1.00 0.00 C ATOM 1710 O HIS A 106 -22.596 -2.479 10.151 1.00 0.00 O ATOM 1711 CB HIS A 106 -24.094 -1.522 7.800 1.00 0.00 C ATOM 1712 CG HIS A 106 -24.279 -1.099 6.362 1.00 0.00 C ATOM 1713 ND1 HIS A 106 -25.383 -0.464 5.838 1.00 0.00 N ATOM 1714 CD2 HIS A 106 -23.435 -1.382 5.320 1.00 0.00 C ATOM 1715 CE1 HIS A 106 -25.206 -0.354 4.513 1.00 0.00 C ATOM 1716 NE2 HIS A 106 -24.051 -0.929 4.151 1.00 0.00 N ATOM 0 H HIS A 106 -21.270 -1.642 8.091 1.00 0.00 H new ATOM 0 HA HIS A 106 -23.409 0.311 8.647 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -23.809 -2.574 7.820 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -25.053 -1.442 8.313 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -26.192 -0.135 6.365 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -22.472 -1.866 5.390 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -25.895 0.128 3.836 1.00 0.00 H new ATOM 1724 N ARG A 107 -22.885 -0.426 10.998 1.00 0.00 N ATOM 1725 CA ARG A 107 -22.741 -0.852 12.381 1.00 0.00 C ATOM 1726 C ARG A 107 -24.118 -1.349 12.792 1.00 0.00 C ATOM 1727 O ARG A 107 -25.085 -0.591 12.704 1.00 0.00 O ATOM 1728 CB ARG A 107 -22.251 0.328 13.227 1.00 0.00 C ATOM 1729 CG ARG A 107 -21.880 -0.047 14.667 1.00 0.00 C ATOM 1730 CD ARG A 107 -23.089 -0.339 15.567 1.00 0.00 C ATOM 1731 NE ARG A 107 -22.745 -0.172 16.982 1.00 0.00 N ATOM 1732 CZ ARG A 107 -22.822 0.954 17.697 1.00 0.00 C ATOM 1733 NH1 ARG A 107 -23.283 2.085 17.168 1.00 0.00 N ATOM 1734 NH2 ARG A 107 -22.427 0.933 18.958 1.00 0.00 N ATOM 0 H ARG A 107 -23.009 0.580 10.883 1.00 0.00 H new ATOM 0 HA ARG A 107 -22.005 -1.644 12.519 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -21.381 0.772 12.743 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -23.028 1.092 13.250 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -21.234 -0.924 14.648 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -21.301 0.766 15.106 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -23.910 0.330 15.308 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -23.439 -1.356 15.392 1.00 0.00 H new ATOM 0 HE ARG A 107 -22.412 -1.002 17.472 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -23.588 2.106 16.195 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -23.331 2.931 17.736 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -22.072 0.069 19.367 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -22.477 1.781 19.522 1.00 0.00 H new ATOM 1748 N ILE A 108 -24.238 -2.601 13.210 1.00 0.00 N ATOM 1749 CA ILE A 108 -25.492 -3.212 13.641 1.00 0.00 C ATOM 1750 C ILE A 108 -25.316 -3.541 15.119 1.00 0.00 C ATOM 1751 O ILE A 108 -24.205 -3.808 15.566 1.00 0.00 O ATOM 1752 CB ILE A 108 -25.813 -4.493 12.823 1.00 0.00 C ATOM 1753 CG1 ILE A 108 -25.460 -4.410 11.321 1.00 0.00 C ATOM 1754 CG2 ILE A 108 -27.285 -4.918 12.995 1.00 0.00 C ATOM 1755 CD1 ILE A 108 -26.261 -3.392 10.506 1.00 0.00 C ATOM 0 H ILE A 108 -23.444 -3.240 13.261 1.00 0.00 H new ATOM 0 HA ILE A 108 -26.330 -2.533 13.480 1.00 0.00 H new ATOM 0 HB ILE A 108 -25.157 -5.254 13.245 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -24.401 -4.169 11.228 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -25.603 -5.396 10.878 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -27.475 -5.817 12.409 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -27.484 -5.121 14.047 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -27.938 -4.116 12.650 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -25.932 -3.418 9.467 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -27.322 -3.639 10.557 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -26.101 -2.393 10.913 1.00 0.00 H new ATOM 1767 N ARG A 109 -26.405 -3.582 15.885 1.00 0.00 N ATOM 1768 CA ARG A 109 -26.357 -3.898 17.312 1.00 0.00 C ATOM 1769 C ARG A 109 -25.727 -5.254 17.627 1.00 0.00 C ATOM 1770 O ARG A 109 -25.395 -5.489 18.788 1.00 0.00 O ATOM 1771 CB ARG A 109 -27.754 -3.770 17.923 1.00 0.00 C ATOM 1772 CG ARG A 109 -28.804 -4.701 17.301 1.00 0.00 C ATOM 1773 CD ARG A 109 -30.193 -4.251 17.741 1.00 0.00 C ATOM 1774 NE ARG A 109 -30.603 -3.003 17.078 1.00 0.00 N ATOM 1775 CZ ARG A 109 -31.476 -2.890 16.074 1.00 0.00 C ATOM 1776 NH1 ARG A 109 -31.915 -3.955 15.411 1.00 0.00 N ATOM 1777 NH2 ARG A 109 -31.900 -1.687 15.713 1.00 0.00 N ATOM 0 H ARG A 109 -27.345 -3.397 15.534 1.00 0.00 H new ATOM 0 HA ARG A 109 -25.693 -3.167 17.773 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -27.691 -3.976 18.992 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -28.091 -2.739 17.816 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -28.729 -4.680 16.214 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -28.626 -5.730 17.613 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -30.916 -5.035 17.517 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -30.203 -4.108 18.822 1.00 0.00 H new ATOM 0 HE ARG A 109 -30.179 -2.140 17.419 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -31.585 -4.886 15.665 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -32.582 -3.841 14.648 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -31.559 -0.859 16.201 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -32.567 -1.590 14.947 1.00 0.00 H new ATOM 1791 N THR A 110 -25.613 -6.157 16.653 1.00 0.00 N ATOM 1792 CA THR A 110 -25.007 -7.461 16.849 1.00 0.00 C ATOM 1793 C THR A 110 -23.509 -7.373 16.520 1.00 0.00 C ATOM 1794 O THR A 110 -22.741 -8.084 17.159 1.00 0.00 O ATOM 1795 CB THR A 110 -25.776 -8.523 16.033 1.00 0.00 C ATOM 1796 OG1 THR A 110 -25.506 -9.824 16.509 1.00 0.00 O ATOM 1797 CG2 THR A 110 -25.559 -8.479 14.518 1.00 0.00 C ATOM 0 H THR A 110 -25.943 -5.997 15.701 1.00 0.00 H new ATOM 0 HA THR A 110 -25.078 -7.779 17.889 1.00 0.00 H new ATOM 0 HB THR A 110 -26.823 -8.264 16.189 1.00 0.00 H new ATOM 0 HG1 THR A 110 -26.006 -10.477 15.977 1.00 0.00 H new ATOM 0 HG21 THR A 110 -26.145 -9.266 14.044 1.00 0.00 H new ATOM 0 HG22 THR A 110 -25.875 -7.509 14.133 1.00 0.00 H new ATOM 0 HG23 THR A 110 -24.502 -8.630 14.297 1.00 0.00 H new ATOM 1805 N ASP A 111 -23.086 -6.556 15.539 1.00 0.00 N ATOM 1806 CA ASP A 111 -21.700 -6.358 15.098 1.00 0.00 C ATOM 1807 C ASP A 111 -21.675 -5.422 13.884 1.00 0.00 C ATOM 1808 O ASP A 111 -22.727 -5.025 13.379 1.00 0.00 O ATOM 1809 CB ASP A 111 -21.005 -7.674 14.664 1.00 0.00 C ATOM 1810 CG ASP A 111 -19.482 -7.598 14.797 1.00 0.00 C ATOM 1811 OD1 ASP A 111 -18.937 -6.547 15.203 1.00 0.00 O ATOM 1812 OD2 ASP A 111 -18.830 -8.638 14.563 1.00 0.00 O ATOM 0 H ASP A 111 -23.742 -5.986 15.005 1.00 0.00 H new ATOM 0 HA ASP A 111 -21.168 -5.944 15.954 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -21.380 -8.498 15.272 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -21.266 -7.896 13.629 1.00 0.00 H new ATOM 1817 N THR A 112 -20.490 -5.057 13.407 1.00 0.00 N ATOM 1818 CA THR A 112 -20.297 -4.203 12.252 1.00 0.00 C ATOM 1819 C THR A 112 -20.120 -5.113 11.041 1.00 0.00 C ATOM 1820 O THR A 112 -19.496 -6.174 11.122 1.00 0.00 O ATOM 1821 CB THR A 112 -19.049 -3.320 12.433 1.00 0.00 C ATOM 1822 OG1 THR A 112 -19.104 -2.628 13.663 1.00 0.00 O ATOM 1823 CG2 THR A 112 -18.910 -2.277 11.317 1.00 0.00 C ATOM 0 H THR A 112 -19.613 -5.360 13.830 1.00 0.00 H new ATOM 0 HA THR A 112 -21.154 -3.542 12.122 1.00 0.00 H new ATOM 0 HB THR A 112 -18.192 -3.993 12.404 1.00 0.00 H new ATOM 0 HG1 THR A 112 -18.302 -2.073 13.762 1.00 0.00 H new ATOM 0 HG21 THR A 112 -18.015 -1.678 11.488 1.00 0.00 H new ATOM 0 HG22 THR A 112 -18.830 -2.782 10.355 1.00 0.00 H new ATOM 0 HG23 THR A 112 -19.786 -1.628 11.314 1.00 0.00 H new ATOM 1831 N TYR A 113 -20.670 -4.687 9.913 1.00 0.00 N ATOM 1832 CA TYR A 113 -20.597 -5.375 8.643 1.00 0.00 C ATOM 1833 C TYR A 113 -20.173 -4.337 7.610 1.00 0.00 C ATOM 1834 O TYR A 113 -20.216 -3.131 7.865 1.00 0.00 O ATOM 1835 CB TYR A 113 -21.930 -6.052 8.288 1.00 0.00 C ATOM 1836 CG TYR A 113 -22.396 -7.140 9.240 1.00 0.00 C ATOM 1837 CD1 TYR A 113 -22.900 -6.822 10.515 1.00 0.00 C ATOM 1838 CD2 TYR A 113 -22.340 -8.485 8.837 1.00 0.00 C ATOM 1839 CE1 TYR A 113 -23.335 -7.833 11.389 1.00 0.00 C ATOM 1840 CE2 TYR A 113 -22.779 -9.499 9.700 1.00 0.00 C ATOM 1841 CZ TYR A 113 -23.284 -9.183 10.977 1.00 0.00 C ATOM 1842 OH TYR A 113 -23.722 -10.188 11.782 1.00 0.00 O ATOM 0 H TYR A 113 -21.200 -3.817 9.861 1.00 0.00 H new ATOM 0 HA TYR A 113 -19.871 -6.187 8.678 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -22.703 -5.285 8.238 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -21.842 -6.482 7.290 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -22.953 -5.789 10.825 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -21.958 -8.738 7.859 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -23.706 -7.579 12.371 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -22.730 -10.530 9.384 1.00 0.00 H new ATOM 0 HH TYR A 113 -23.607 -11.047 11.325 1.00 0.00 H new ATOM 1852 N VAL A 114 -19.761 -4.798 6.441 1.00 0.00 N ATOM 1853 CA VAL A 114 -19.313 -3.986 5.327 1.00 0.00 C ATOM 1854 C VAL A 114 -20.149 -4.396 4.119 1.00 0.00 C ATOM 1855 O VAL A 114 -20.738 -5.484 4.086 1.00 0.00 O ATOM 1856 CB VAL A 114 -17.775 -4.152 5.170 1.00 0.00 C ATOM 1857 CG1 VAL A 114 -17.296 -4.498 3.760 1.00 0.00 C ATOM 1858 CG2 VAL A 114 -17.004 -2.904 5.610 1.00 0.00 C ATOM 0 H VAL A 114 -19.729 -5.797 6.235 1.00 0.00 H new ATOM 0 HA VAL A 114 -19.464 -2.916 5.469 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.565 -5.000 5.821 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -16.210 -4.592 3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -17.742 -5.441 3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -17.594 -3.708 3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -15.935 -3.072 5.480 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -17.314 -2.053 5.004 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -17.214 -2.698 6.659 1.00 0.00 H new ATOM 1868 N LYS A 115 -20.221 -3.513 3.131 1.00 0.00 N ATOM 1869 CA LYS A 115 -20.926 -3.698 1.879 1.00 0.00 C ATOM 1870 C LYS A 115 -20.001 -3.230 0.777 1.00 0.00 C ATOM 1871 O LYS A 115 -19.139 -2.372 0.993 1.00 0.00 O ATOM 1872 CB LYS A 115 -22.236 -2.908 1.832 1.00 0.00 C ATOM 1873 CG LYS A 115 -23.408 -3.837 2.176 1.00 0.00 C ATOM 1874 CD LYS A 115 -24.734 -3.298 1.646 1.00 0.00 C ATOM 1875 CE LYS A 115 -24.816 -3.418 0.117 1.00 0.00 C ATOM 1876 NZ LYS A 115 -26.071 -2.866 -0.426 1.00 0.00 N ATOM 0 H LYS A 115 -19.764 -2.603 3.189 1.00 0.00 H new ATOM 0 HA LYS A 115 -21.193 -4.748 1.763 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -22.198 -2.078 2.537 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -22.378 -2.478 0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -23.224 -4.826 1.755 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -23.471 -3.957 3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -25.559 -3.846 2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -24.847 -2.254 1.937 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -23.970 -2.897 -0.331 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -24.731 -4.467 -0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -26.077 -2.971 -1.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -26.880 -3.379 -0.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -26.142 -1.858 -0.180 1.00 0.00 H new ATOM 1890 N LEU A 116 -20.174 -3.812 -0.404 1.00 0.00 N ATOM 1891 CA LEU A 116 -19.388 -3.456 -1.561 1.00 0.00 C ATOM 1892 C LEU A 116 -20.213 -3.671 -2.809 1.00 0.00 C ATOM 1893 O LEU A 116 -20.830 -4.727 -2.962 1.00 0.00 O ATOM 1894 CB LEU A 116 -18.114 -4.286 -1.638 1.00 0.00 C ATOM 1895 CG LEU A 116 -17.149 -3.670 -2.658 1.00 0.00 C ATOM 1896 CD1 LEU A 116 -15.861 -3.252 -1.961 1.00 0.00 C ATOM 1897 CD2 LEU A 116 -16.923 -4.621 -3.839 1.00 0.00 C ATOM 0 H LEU A 116 -20.864 -4.542 -0.578 1.00 0.00 H new ATOM 0 HA LEU A 116 -19.103 -2.407 -1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -17.640 -4.332 -0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -18.354 -5.310 -1.924 1.00 0.00 H new ATOM 0 HG LEU A 116 -17.588 -2.768 -3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -15.178 -2.815 -2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -16.087 -2.517 -1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -15.394 -4.125 -1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -16.235 -4.162 -4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -16.499 -5.557 -3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -17.874 -4.821 -4.333 1.00 0.00 H new ATOM 1909 N ASP A 117 -20.260 -2.683 -3.690 1.00 0.00 N ATOM 1910 CA ASP A 117 -21.010 -2.770 -4.932 1.00 0.00 C ATOM 1911 C ASP A 117 -20.103 -3.416 -5.968 1.00 0.00 C ATOM 1912 O ASP A 117 -19.224 -2.786 -6.553 1.00 0.00 O ATOM 1913 CB ASP A 117 -21.557 -1.397 -5.329 1.00 0.00 C ATOM 1914 CG ASP A 117 -22.833 -1.060 -4.556 1.00 0.00 C ATOM 1915 OD1 ASP A 117 -23.668 -1.966 -4.306 1.00 0.00 O ATOM 1916 OD2 ASP A 117 -22.996 0.124 -4.190 1.00 0.00 O ATOM 0 H ASP A 117 -19.776 -1.794 -3.562 1.00 0.00 H new ATOM 0 HA ASP A 117 -21.897 -3.395 -4.831 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -20.802 -0.634 -5.139 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -21.763 -1.381 -6.399 1.00 0.00 H new ATOM 1921 N LYS A 118 -20.277 -4.722 -6.155 1.00 0.00 N ATOM 1922 CA LYS A 118 -19.499 -5.523 -7.098 1.00 0.00 C ATOM 1923 C LYS A 118 -19.891 -5.221 -8.545 1.00 0.00 C ATOM 1924 O LYS A 118 -19.193 -5.649 -9.462 1.00 0.00 O ATOM 1925 CB LYS A 118 -19.692 -7.016 -6.796 1.00 0.00 C ATOM 1926 CG LYS A 118 -19.576 -7.335 -5.294 1.00 0.00 C ATOM 1927 CD LYS A 118 -19.576 -8.827 -4.981 1.00 0.00 C ATOM 1928 CE LYS A 118 -20.743 -9.584 -5.610 1.00 0.00 C ATOM 1929 NZ LYS A 118 -20.795 -10.971 -5.114 1.00 0.00 N ATOM 0 H LYS A 118 -20.976 -5.264 -5.646 1.00 0.00 H new ATOM 0 HA LYS A 118 -18.447 -5.262 -6.978 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -20.671 -7.332 -7.157 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -18.948 -7.593 -7.345 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -18.658 -6.892 -4.908 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -20.405 -6.862 -4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -18.640 -9.263 -5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -19.606 -8.963 -3.900 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -21.679 -9.075 -5.379 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -20.639 -9.585 -6.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -20.851 -11.626 -5.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -19.938 -11.175 -4.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -21.633 -11.092 -4.510 1.00 0.00 H new ATOM 1943 N ALA A 119 -21.023 -4.541 -8.750 1.00 0.00 N ATOM 1944 CA ALA A 119 -21.523 -4.171 -10.069 1.00 0.00 C ATOM 1945 C ALA A 119 -20.612 -3.128 -10.711 1.00 0.00 C ATOM 1946 O ALA A 119 -20.434 -3.118 -11.926 1.00 0.00 O ATOM 1947 CB ALA A 119 -22.946 -3.613 -9.936 1.00 0.00 C ATOM 0 H ALA A 119 -21.625 -4.229 -7.988 1.00 0.00 H new ATOM 0 HA ALA A 119 -21.537 -5.056 -10.705 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -23.322 -3.336 -10.921 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -23.595 -4.372 -9.501 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -22.933 -2.734 -9.292 1.00 0.00 H new ATOM 1953 N VAL A 120 -20.002 -2.286 -9.883 1.00 0.00 N ATOM 1954 CA VAL A 120 -19.123 -1.211 -10.282 1.00 0.00 C ATOM 1955 C VAL A 120 -17.893 -1.709 -11.040 1.00 0.00 C ATOM 1956 O VAL A 120 -17.144 -2.570 -10.559 1.00 0.00 O ATOM 1957 CB VAL A 120 -18.713 -0.404 -9.036 1.00 0.00 C ATOM 1958 CG1 VAL A 120 -18.045 0.893 -9.466 1.00 0.00 C ATOM 1959 CG2 VAL A 120 -19.901 -0.002 -8.155 1.00 0.00 C ATOM 0 H VAL A 120 -20.117 -2.344 -8.871 1.00 0.00 H new ATOM 0 HA VAL A 120 -19.667 -0.569 -10.975 1.00 0.00 H new ATOM 0 HB VAL A 120 -18.050 -1.055 -8.467 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -17.755 1.463 -8.583 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -17.159 0.667 -10.059 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -18.742 1.480 -10.065 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -19.542 0.564 -7.295 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -20.590 0.614 -8.732 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -20.418 -0.898 -7.810 1.00 0.00 H new ATOM 1969 N ASP A 121 -17.689 -1.155 -12.238 1.00 0.00 N ATOM 1970 CA ASP A 121 -16.542 -1.487 -13.063 1.00 0.00 C ATOM 1971 C ASP A 121 -15.365 -0.754 -12.446 1.00 0.00 C ATOM 1972 O ASP A 121 -15.312 0.482 -12.484 1.00 0.00 O ATOM 1973 CB ASP A 121 -16.731 -1.092 -14.531 1.00 0.00 C ATOM 1974 CG ASP A 121 -16.587 -2.339 -15.381 1.00 0.00 C ATOM 1975 OD1 ASP A 121 -17.487 -3.198 -15.309 1.00 0.00 O ATOM 1976 OD2 ASP A 121 -15.546 -2.504 -16.065 1.00 0.00 O ATOM 0 H ASP A 121 -18.316 -0.467 -12.655 1.00 0.00 H new ATOM 0 HA ASP A 121 -16.388 -2.566 -13.082 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -17.713 -0.642 -14.680 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -15.991 -0.346 -14.822 1.00 0.00 H new ATOM 1981 N LEU A 122 -14.434 -1.528 -11.886 1.00 0.00 N ATOM 1982 CA LEU A 122 -13.219 -1.081 -11.213 1.00 0.00 C ATOM 1983 C LEU A 122 -12.480 -0.006 -12.008 1.00 0.00 C ATOM 1984 O LEU A 122 -11.917 0.892 -11.401 1.00 0.00 O ATOM 1985 CB LEU A 122 -12.332 -2.304 -10.911 1.00 0.00 C ATOM 1986 CG LEU A 122 -11.437 -2.231 -9.655 1.00 0.00 C ATOM 1987 CD1 LEU A 122 -10.275 -1.260 -9.744 1.00 0.00 C ATOM 1988 CD2 LEU A 122 -12.205 -1.976 -8.353 1.00 0.00 C ATOM 0 H LEU A 122 -14.516 -2.545 -11.892 1.00 0.00 H new ATOM 0 HA LEU A 122 -13.491 -0.605 -10.271 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.979 -3.176 -10.815 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -11.690 -2.477 -11.774 1.00 0.00 H new ATOM 0 HG LEU A 122 -11.020 -3.238 -9.625 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -9.709 -1.284 -8.813 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -9.625 -1.545 -10.571 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -10.655 -0.252 -9.912 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -11.505 -1.939 -7.519 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.736 -1.027 -8.424 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -12.921 -2.781 -8.190 1.00 0.00 H new ATOM 2000 N ALA A 123 -12.529 -0.032 -13.343 1.00 0.00 N ATOM 2001 CA ALA A 123 -11.874 0.957 -14.202 1.00 0.00 C ATOM 2002 C ALA A 123 -12.180 2.406 -13.770 1.00 0.00 C ATOM 2003 O ALA A 123 -11.270 3.219 -13.589 1.00 0.00 O ATOM 2004 CB ALA A 123 -12.316 0.718 -15.648 1.00 0.00 C ATOM 0 H ALA A 123 -13.032 -0.751 -13.864 1.00 0.00 H new ATOM 0 HA ALA A 123 -10.795 0.832 -14.112 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -11.836 1.447 -16.300 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -12.029 -0.288 -15.955 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -13.398 0.824 -15.720 1.00 0.00 H new ATOM 2010 N GLY A 124 -13.462 2.726 -13.566 1.00 0.00 N ATOM 2011 CA GLY A 124 -13.914 4.054 -13.154 1.00 0.00 C ATOM 2012 C GLY A 124 -13.509 4.381 -11.722 1.00 0.00 C ATOM 2013 O GLY A 124 -13.393 5.553 -11.355 1.00 0.00 O ATOM 0 H GLY A 124 -14.224 2.058 -13.685 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -13.498 4.803 -13.828 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -14.999 4.111 -13.245 1.00 0.00 H new ATOM 2017 N LEU A 125 -13.332 3.351 -10.891 1.00 0.00 N ATOM 2018 CA LEU A 125 -12.915 3.517 -9.511 1.00 0.00 C ATOM 2019 C LEU A 125 -11.439 3.875 -9.567 1.00 0.00 C ATOM 2020 O LEU A 125 -11.068 4.899 -9.015 1.00 0.00 O ATOM 2021 CB LEU A 125 -13.210 2.286 -8.655 1.00 0.00 C ATOM 2022 CG LEU A 125 -14.717 2.021 -8.497 1.00 0.00 C ATOM 2023 CD1 LEU A 125 -14.915 0.688 -7.784 1.00 0.00 C ATOM 2024 CD2 LEU A 125 -15.437 3.132 -7.716 1.00 0.00 C ATOM 0 H LEU A 125 -13.476 2.379 -11.164 1.00 0.00 H new ATOM 0 HA LEU A 125 -13.481 4.307 -9.017 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -12.737 1.413 -9.105 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -12.763 2.418 -7.670 1.00 0.00 H new ATOM 0 HG LEU A 125 -15.153 1.997 -9.496 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -15.981 0.492 -7.668 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -14.462 -0.110 -8.372 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -14.444 0.727 -6.802 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -16.497 2.892 -7.636 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -15.006 3.213 -6.718 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -15.319 4.080 -8.240 1.00 0.00 H new ATOM 2036 N THR A 126 -10.611 3.113 -10.291 1.00 0.00 N ATOM 2037 CA THR A 126 -9.184 3.382 -10.456 1.00 0.00 C ATOM 2038 C THR A 126 -8.977 4.830 -10.931 1.00 0.00 C ATOM 2039 O THR A 126 -8.025 5.476 -10.506 1.00 0.00 O ATOM 2040 CB THR A 126 -8.602 2.372 -11.464 1.00 0.00 C ATOM 2041 OG1 THR A 126 -8.870 1.064 -11.017 1.00 0.00 O ATOM 2042 CG2 THR A 126 -7.087 2.449 -11.654 1.00 0.00 C ATOM 0 H THR A 126 -10.923 2.278 -10.786 1.00 0.00 H new ATOM 0 HA THR A 126 -8.665 3.268 -9.505 1.00 0.00 H new ATOM 0 HB THR A 126 -9.076 2.622 -12.413 1.00 0.00 H new ATOM 0 HG1 THR A 126 -8.503 0.418 -11.656 1.00 0.00 H new ATOM 0 HG21 THR A 126 -6.773 1.700 -12.381 1.00 0.00 H new ATOM 0 HG22 THR A 126 -6.815 3.441 -12.014 1.00 0.00 H new ATOM 0 HG23 THR A 126 -6.591 2.261 -10.702 1.00 0.00 H new ATOM 2050 N ALA A 127 -9.859 5.349 -11.796 1.00 0.00 N ATOM 2051 CA ALA A 127 -9.779 6.710 -12.312 1.00 0.00 C ATOM 2052 C ALA A 127 -10.005 7.732 -11.195 1.00 0.00 C ATOM 2053 O ALA A 127 -9.091 8.480 -10.814 1.00 0.00 O ATOM 2054 CB ALA A 127 -10.775 6.875 -13.470 1.00 0.00 C ATOM 0 H ALA A 127 -10.655 4.824 -12.157 1.00 0.00 H new ATOM 0 HA ALA A 127 -8.778 6.897 -12.700 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -10.717 7.892 -13.858 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -10.530 6.170 -14.264 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -11.786 6.681 -13.111 1.00 0.00 H new ATOM 2060 N ARG A 128 -11.224 7.739 -10.643 1.00 0.00 N ATOM 2061 CA ARG A 128 -11.561 8.684 -9.581 1.00 0.00 C ATOM 2062 C ARG A 128 -10.626 8.528 -8.386 1.00 0.00 C ATOM 2063 O ARG A 128 -10.424 9.487 -7.659 1.00 0.00 O ATOM 2064 CB ARG A 128 -13.045 8.606 -9.210 1.00 0.00 C ATOM 2065 CG ARG A 128 -13.354 7.408 -8.307 1.00 0.00 C ATOM 2066 CD ARG A 128 -14.843 7.282 -8.008 1.00 0.00 C ATOM 2067 NE ARG A 128 -15.585 6.779 -9.171 1.00 0.00 N ATOM 2068 CZ ARG A 128 -16.877 7.011 -9.422 1.00 0.00 C ATOM 2069 NH1 ARG A 128 -17.617 7.780 -8.625 1.00 0.00 N ATOM 2070 NH2 ARG A 128 -17.426 6.462 -10.495 1.00 0.00 N ATOM 0 H ARG A 128 -11.981 7.110 -10.911 1.00 0.00 H new ATOM 0 HA ARG A 128 -11.403 9.694 -9.958 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -13.340 9.525 -8.704 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -13.642 8.537 -10.119 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -13.003 6.494 -8.786 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -12.804 7.509 -7.371 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -14.990 6.609 -7.163 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -15.240 8.254 -7.715 1.00 0.00 H new ATOM 0 HE ARG A 128 -15.073 6.206 -9.842 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -17.200 8.209 -7.799 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -18.601 7.940 -8.841 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -16.864 5.875 -11.111 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -18.411 6.626 -10.705 1.00 0.00 H new ATOM 2084 N LEU A 129 -10.062 7.344 -8.160 1.00 0.00 N ATOM 2085 CA LEU A 129 -9.135 7.079 -7.078 1.00 0.00 C ATOM 2086 C LEU A 129 -7.826 7.792 -7.396 1.00 0.00 C ATOM 2087 O LEU A 129 -7.335 8.555 -6.571 1.00 0.00 O ATOM 2088 CB LEU A 129 -8.952 5.559 -6.944 1.00 0.00 C ATOM 2089 CG LEU A 129 -7.855 5.102 -5.971 1.00 0.00 C ATOM 2090 CD1 LEU A 129 -8.191 3.659 -5.587 1.00 0.00 C ATOM 2091 CD2 LEU A 129 -6.452 5.178 -6.593 1.00 0.00 C ATOM 0 H LEU A 129 -10.246 6.527 -8.742 1.00 0.00 H new ATOM 0 HA LEU A 129 -9.507 7.451 -6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -9.899 5.125 -6.624 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -8.731 5.150 -7.930 1.00 0.00 H new ATOM 0 HG LEU A 129 -7.832 5.760 -5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -7.439 3.283 -4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -9.171 3.628 -5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -8.202 3.037 -6.482 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -5.713 4.844 -5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -6.409 4.537 -7.473 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -6.238 6.207 -6.883 1.00 0.00 H new ATOM 2103 N ALA A 130 -7.264 7.547 -8.584 1.00 0.00 N ATOM 2104 CA ALA A 130 -6.007 8.120 -9.040 1.00 0.00 C ATOM 2105 C ALA A 130 -6.042 9.635 -9.212 1.00 0.00 C ATOM 2106 O ALA A 130 -4.972 10.240 -9.298 1.00 0.00 O ATOM 2107 CB ALA A 130 -5.609 7.472 -10.363 1.00 0.00 C ATOM 0 H ALA A 130 -7.689 6.925 -9.271 1.00 0.00 H new ATOM 0 HA ALA A 130 -5.274 7.915 -8.260 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -4.667 7.899 -10.708 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -5.490 6.398 -10.221 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -6.385 7.656 -11.106 1.00 0.00 H new ATOM 2113 N HIS A 131 -7.227 10.260 -9.225 1.00 0.00 N ATOM 2114 CA HIS A 131 -7.340 11.709 -9.381 1.00 0.00 C ATOM 2115 C HIS A 131 -6.426 12.477 -8.404 1.00 0.00 C ATOM 2116 O HIS A 131 -5.793 13.443 -8.828 1.00 0.00 O ATOM 2117 CB HIS A 131 -8.809 12.177 -9.371 1.00 0.00 C ATOM 2118 CG HIS A 131 -9.429 12.546 -8.043 1.00 0.00 C ATOM 2119 ND1 HIS A 131 -9.296 11.902 -6.846 1.00 0.00 N flip ATOM 2120 CD2 HIS A 131 -10.295 13.592 -7.840 1.00 0.00 C flip ATOM 2121 CE1 HIS A 131 -10.071 12.574 -5.893 1.00 0.00 C flip ATOM 2122 NE2 HIS A 131 -10.659 13.587 -6.551 1.00 0.00 N flip ATOM 0 H HIS A 131 -8.121 9.779 -9.129 1.00 0.00 H new ATOM 0 HA HIS A 131 -6.964 11.961 -10.373 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -8.888 13.043 -10.028 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -9.414 11.386 -9.813 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -10.625 14.296 -8.589 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -10.175 12.329 -4.846 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -11.296 14.261 -6.127 1.00 0.00 H new ATOM 2130 N HIS A 132 -6.291 12.029 -7.144 1.00 0.00 N ATOM 2131 CA HIS A 132 -5.458 12.619 -6.091 1.00 0.00 C ATOM 2132 C HIS A 132 -5.546 14.154 -6.028 1.00 0.00 C ATOM 2133 O HIS A 132 -4.548 14.829 -5.755 1.00 0.00 O ATOM 2134 CB HIS A 132 -4.028 12.054 -6.207 1.00 0.00 C ATOM 2135 CG HIS A 132 -3.963 10.550 -6.038 1.00 0.00 C ATOM 2136 ND1 HIS A 132 -3.229 9.658 -6.789 1.00 0.00 N ATOM 2137 CD2 HIS A 132 -4.630 9.825 -5.091 1.00 0.00 C ATOM 2138 CE1 HIS A 132 -3.454 8.425 -6.294 1.00 0.00 C ATOM 2139 NE2 HIS A 132 -4.307 8.476 -5.258 1.00 0.00 N ATOM 0 H HIS A 132 -6.789 11.200 -6.819 1.00 0.00 H new ATOM 0 HA HIS A 132 -5.849 12.323 -5.118 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -3.617 12.321 -7.180 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -3.396 12.525 -5.454 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -5.294 10.227 -4.340 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -3.009 7.519 -6.678 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -4.649 7.690 -4.706 1.00 0.00 H new ATOM 2147 N VAL A 133 -6.746 14.701 -6.257 1.00 0.00 N ATOM 2148 CA VAL A 133 -7.016 16.134 -6.239 1.00 0.00 C ATOM 2149 C VAL A 133 -7.040 16.630 -4.786 1.00 0.00 C ATOM 2150 O VAL A 133 -6.108 17.303 -4.358 1.00 0.00 O ATOM 2151 CB VAL A 133 -8.327 16.437 -7.007 1.00 0.00 C ATOM 2152 CG1 VAL A 133 -8.681 17.927 -7.005 1.00 0.00 C ATOM 2153 CG2 VAL A 133 -8.263 15.994 -8.477 1.00 0.00 C ATOM 0 H VAL A 133 -7.573 14.141 -6.465 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.223 16.678 -6.753 1.00 0.00 H new ATOM 0 HB VAL A 133 -9.089 15.869 -6.473 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -9.608 18.081 -7.557 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -8.809 18.269 -5.978 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -7.878 18.492 -7.479 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -9.207 16.229 -8.969 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.451 16.518 -8.980 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -8.086 14.920 -8.526 1.00 0.00 H new ATOM 2163 N HIS A 134 -8.061 16.253 -4.010 1.00 0.00 N ATOM 2164 CA HIS A 134 -8.229 16.672 -2.618 1.00 0.00 C ATOM 2165 C HIS A 134 -7.733 15.654 -1.579 1.00 0.00 C ATOM 2166 O HIS A 134 -7.884 15.892 -0.377 1.00 0.00 O ATOM 2167 CB HIS A 134 -9.704 17.056 -2.405 1.00 0.00 C ATOM 2168 CG HIS A 134 -10.713 16.055 -2.920 1.00 0.00 C ATOM 2169 ND1 HIS A 134 -11.031 14.839 -2.356 1.00 0.00 N ATOM 2170 CD2 HIS A 134 -11.540 16.233 -3.999 1.00 0.00 C ATOM 2171 CE1 HIS A 134 -12.022 14.294 -3.076 1.00 0.00 C ATOM 2172 NE2 HIS A 134 -12.364 15.105 -4.090 1.00 0.00 N ATOM 0 H HIS A 134 -8.805 15.638 -4.338 1.00 0.00 H new ATOM 0 HA HIS A 134 -7.586 17.536 -2.449 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -9.874 17.202 -1.338 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -9.887 18.014 -2.891 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -11.553 17.088 -4.659 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -12.480 13.338 -2.870 1.00 0.00 H new ATOM 0 HE2 HIS A 134 -13.085 14.933 -4.791 1.00 0.00 H new ATOM 2180 N ALA A 135 -7.189 14.510 -2.000 1.00 0.00 N ATOM 2181 CA ALA A 135 -6.679 13.479 -1.099 1.00 0.00 C ATOM 2182 C ALA A 135 -5.247 13.781 -0.645 1.00 0.00 C ATOM 2183 O ALA A 135 -4.658 14.795 -1.021 1.00 0.00 O ATOM 2184 CB ALA A 135 -6.710 12.134 -1.826 1.00 0.00 C ATOM 0 H ALA A 135 -7.090 14.273 -2.987 1.00 0.00 H new ATOM 0 HA ALA A 135 -7.310 13.453 -0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -6.332 11.354 -1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -7.735 11.900 -2.114 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -6.086 12.188 -2.718 1.00 0.00 H new ATOM 2190 N GLU A 136 -4.693 12.882 0.165 1.00 0.00 N ATOM 2191 CA GLU A 136 -3.327 12.966 0.688 1.00 0.00 C ATOM 2192 C GLU A 136 -2.648 11.596 0.707 1.00 0.00 C ATOM 2193 O GLU A 136 -1.423 11.494 0.641 1.00 0.00 O ATOM 2194 CB GLU A 136 -3.308 13.555 2.109 1.00 0.00 C ATOM 2195 CG GLU A 136 -3.984 12.682 3.179 1.00 0.00 C ATOM 2196 CD GLU A 136 -3.565 13.087 4.588 1.00 0.00 C ATOM 2197 OE1 GLU A 136 -2.479 12.656 5.044 1.00 0.00 O ATOM 2198 OE2 GLU A 136 -4.333 13.808 5.267 1.00 0.00 O ATOM 0 H GLU A 136 -5.193 12.053 0.485 1.00 0.00 H new ATOM 0 HA GLU A 136 -2.776 13.626 0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -2.272 13.727 2.402 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -3.800 14.528 2.090 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -5.067 12.764 3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -3.728 11.636 3.010 1.00 0.00 H new ATOM 2205 N GLY A 137 -3.436 10.519 0.727 1.00 0.00 N ATOM 2206 CA GLY A 137 -2.912 9.174 0.785 1.00 0.00 C ATOM 2207 C GLY A 137 -2.790 8.814 2.257 1.00 0.00 C ATOM 2208 O GLY A 137 -1.729 8.961 2.874 1.00 0.00 O ATOM 0 H GLY A 137 -4.455 10.566 0.703 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -3.575 8.478 0.270 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -1.942 9.115 0.291 1.00 0.00 H new ATOM 2212 N LEU A 138 -3.919 8.399 2.824 1.00 0.00 N ATOM 2213 CA LEU A 138 -4.060 7.970 4.209 1.00 0.00 C ATOM 2214 C LEU A 138 -3.120 6.798 4.471 1.00 0.00 C ATOM 2215 O LEU A 138 -2.705 6.628 5.634 1.00 0.00 O ATOM 2216 CB LEU A 138 -5.541 7.651 4.502 1.00 0.00 C ATOM 2217 CG LEU A 138 -6.245 8.751 5.302 1.00 0.00 C ATOM 2218 CD1 LEU A 138 -6.303 10.048 4.493 1.00 0.00 C ATOM 2219 CD2 LEU A 138 -7.665 8.344 5.693 1.00 0.00 C ATOM 0 H LEU A 138 -4.797 8.351 2.307 1.00 0.00 H new ATOM 0 HA LEU A 138 -3.772 8.765 4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -6.068 7.502 3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -5.602 6.713 5.054 1.00 0.00 H new ATOM 0 HG LEU A 138 -5.665 8.907 6.211 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -6.806 10.819 5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -5.290 10.375 4.257 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -6.854 9.876 3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -8.132 9.150 6.259 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.248 8.148 4.793 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.630 7.443 6.306 1.00 0.00 H new TER 2231 LEU A 138