USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 750 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 32 LYS NZ :NH3+ -132:sc=-0.000648 (180deg=-2.46!) USER MOD Set 1.2: A 36 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 23 HIS : no HD1:sc= -5.95! C(o=-14!,f=-23!) USER MOD Set 2.2: A 24 HIS : no HE2:sc= -7.78! C(o=-14!,f=-14!) USER MOD Set 3.1: A 7 ASN : amide:sc= -2.32! K(o=-11!,f=-5.3) USER MOD Set 3.2: A 9 LYS NZ :NH3+ -166:sc= -5.23! (180deg=-3.81!) USER MOD Set 3.3: A 14 CYS SG : rot -60:sc= -3.18 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -97:sc= -1.23! USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.052 USER MOD Single : A 25 THR OG1 : rot 79:sc= -3.49! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -4.02! K(o=-4!,f=-2) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -3.12! X(o=-3.1!,f=-2.8) USER MOD Single : A 39 LYS NZ :NH3+ -157:sc= -0.0237 (180deg=-0.491) USER MOD Single : A 44 HIS : no HD1:sc= -9.03! C(o=-9!,f=-12!) USER MOD Single : A 48 ASN : amide:sc= -2.97! C(o=-3!,f=-6.2!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0909 USER MOD Single : A 55 MET CE :methyl -139:sc= -17.2! (180deg=-18.4!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 33:sc= 0.868 USER MOD Single : A 67 TYR OH : rot 100:sc= -3.8! USER MOD Single : A 68 LYS NZ :NH3+ -142:sc= -1.03 (180deg=-3.23!) USER MOD Single : A 69 GLN : amide:sc= -8.86! C(o=-8.9!,f=-13!) USER MOD Single : A 77 MET CE :methyl 178:sc= -0.226 (180deg=-0.235) USER MOD Single : A 80 CYS SG : rot -47:sc= -5.61! USER MOD Single : A 83 SER OG : rot 65:sc= -0.0785 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 170:sc=-0.00651 (180deg=-0.222) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -6.86! C(o=-6.9!,f=-9.2!) USER MOD Single : A 107 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.18) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 -8.540 -14.153 0.355 1.00 0.00 N ATOM 12 CA LEU A 2 -7.587 -13.111 0.011 1.00 0.00 C ATOM 13 C LEU A 2 -6.185 -13.717 -0.078 1.00 0.00 C ATOM 14 O LEU A 2 -5.832 -14.592 0.710 1.00 0.00 O ATOM 15 CB LEU A 2 -7.691 -11.944 0.995 1.00 0.00 C ATOM 16 CG LEU A 2 -6.430 -11.093 1.162 1.00 0.00 C ATOM 17 CD1 LEU A 2 -6.452 -9.890 0.216 1.00 0.00 C ATOM 18 CD2 LEU A 2 -6.241 -10.672 2.620 1.00 0.00 C ATOM 0 HA LEU A 2 -7.817 -12.693 -0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.504 -11.294 0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.969 -12.341 1.971 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.568 -11.702 0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.545 -9.302 0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.504 -10.239 -0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.323 -9.271 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.338 -10.069 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.102 -10.088 2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.148 -11.560 3.246 1.00 0.00 H new ATOM 29 N GLY A 3 -5.424 -13.228 -1.046 1.00 0.00 N ATOM 30 CA GLY A 3 -4.069 -13.710 -1.249 1.00 0.00 C ATOM 31 C GLY A 3 -3.055 -12.818 -0.530 1.00 0.00 C ATOM 32 O GLY A 3 -3.424 -12.030 0.340 1.00 0.00 O ATOM 0 H GLY A 3 -5.721 -12.502 -1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -3.984 -14.732 -0.881 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.844 -13.735 -2.315 1.00 0.00 H new ATOM 36 N ILE A 4 -1.798 -12.970 -0.919 1.00 0.00 N ATOM 37 CA ILE A 4 -0.730 -12.188 -0.323 1.00 0.00 C ATOM 38 C ILE A 4 0.601 -12.570 -0.973 1.00 0.00 C ATOM 39 O ILE A 4 0.922 -13.753 -1.091 1.00 0.00 O ATOM 40 CB ILE A 4 -0.736 -12.344 1.200 1.00 0.00 C ATOM 41 CG1 ILE A 4 -0.390 -11.022 1.888 1.00 0.00 C ATOM 42 CG2 ILE A 4 0.191 -13.479 1.639 1.00 0.00 C ATOM 43 CD1 ILE A 4 0.560 -10.188 1.026 1.00 0.00 C ATOM 0 H ILE A 4 -1.495 -13.624 -1.641 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.886 -11.126 -0.513 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.745 -12.614 1.512 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.303 -10.458 2.080 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.071 -11.221 2.855 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.168 -13.568 2.725 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.142 -14.415 1.191 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.209 -13.264 1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.790 -9.254 1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.481 -10.745 0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.086 -9.970 0.069 1.00 0.00 H new ATOM 54 N ASP A 5 1.340 -11.549 -1.381 1.00 0.00 N ATOM 55 CA ASP A 5 2.629 -11.762 -2.017 1.00 0.00 C ATOM 56 C ASP A 5 3.632 -10.738 -1.484 1.00 0.00 C ATOM 57 O ASP A 5 3.243 -9.672 -1.009 1.00 0.00 O ATOM 58 CB ASP A 5 2.531 -11.585 -3.533 1.00 0.00 C ATOM 59 CG ASP A 5 3.101 -12.741 -4.358 1.00 0.00 C ATOM 60 OD1 ASP A 5 2.380 -13.682 -4.721 1.00 0.00 O ATOM 61 OD2 ASP A 5 4.358 -12.648 -4.630 1.00 0.00 O ATOM 0 H ASP A 5 1.070 -10.570 -1.283 1.00 0.00 H new ATOM 0 HA ASP A 5 2.951 -12.779 -1.793 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.483 -11.450 -3.801 1.00 0.00 H new ATOM 0 HB3 ASP A 5 3.052 -10.669 -3.811 1.00 0.00 H new ATOM 66 N MET A 6 4.904 -11.097 -1.582 1.00 0.00 N ATOM 67 CA MET A 6 5.965 -10.221 -1.116 1.00 0.00 C ATOM 68 C MET A 6 7.232 -10.400 -1.956 1.00 0.00 C ATOM 69 O MET A 6 7.648 -11.526 -2.226 1.00 0.00 O ATOM 70 CB MET A 6 6.277 -10.531 0.349 1.00 0.00 C ATOM 71 CG MET A 6 5.153 -10.042 1.265 1.00 0.00 C ATOM 72 SD MET A 6 5.375 -10.698 2.909 1.00 0.00 S ATOM 73 CE MET A 6 6.594 -9.556 3.537 1.00 0.00 C ATOM 0 H MET A 6 5.223 -11.982 -1.977 1.00 0.00 H new ATOM 0 HA MET A 6 5.628 -9.189 -1.215 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.413 -11.605 0.476 1.00 0.00 H new ATOM 0 HB3 MET A 6 7.215 -10.055 0.633 1.00 0.00 H new ATOM 0 HG2 MET A 6 5.147 -8.952 1.297 1.00 0.00 H new ATOM 0 HG3 MET A 6 4.187 -10.354 0.868 1.00 0.00 H new ATOM 0 HE1 MET A 6 6.848 -9.823 4.563 1.00 0.00 H new ATOM 0 HE2 MET A 6 7.489 -9.602 2.917 1.00 0.00 H new ATOM 0 HE3 MET A 6 6.190 -8.544 3.515 1.00 0.00 H new ATOM 81 N ASN A 7 7.810 -9.273 -2.346 1.00 0.00 N ATOM 82 CA ASN A 7 9.020 -9.292 -3.150 1.00 0.00 C ATOM 83 C ASN A 7 9.920 -8.126 -2.735 1.00 0.00 C ATOM 84 O ASN A 7 9.434 -7.029 -2.463 1.00 0.00 O ATOM 85 CB ASN A 7 8.696 -9.135 -4.636 1.00 0.00 C ATOM 86 CG ASN A 7 9.185 -10.346 -5.435 1.00 0.00 C ATOM 87 OD1 ASN A 7 8.427 -11.232 -5.794 1.00 0.00 O ATOM 88 ND2 ASN A 7 10.490 -10.334 -5.690 1.00 0.00 N ATOM 0 H ASN A 7 7.463 -8.341 -2.120 1.00 0.00 H new ATOM 0 HA ASN A 7 9.518 -10.248 -2.989 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.620 -9.019 -4.767 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.164 -8.228 -5.020 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.914 -11.098 -6.216 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.067 -9.561 -5.360 1.00 0.00 H new ATOM 94 N VAL A 8 11.215 -8.402 -2.701 1.00 0.00 N ATOM 95 CA VAL A 8 12.187 -7.389 -2.326 1.00 0.00 C ATOM 96 C VAL A 8 13.016 -7.004 -3.552 1.00 0.00 C ATOM 97 O VAL A 8 13.305 -7.846 -4.400 1.00 0.00 O ATOM 98 CB VAL A 8 13.042 -7.891 -1.161 1.00 0.00 C ATOM 99 CG1 VAL A 8 14.466 -8.208 -1.622 1.00 0.00 C ATOM 100 CG2 VAL A 8 13.050 -6.882 -0.011 1.00 0.00 C ATOM 0 H VAL A 8 11.614 -9.313 -2.927 1.00 0.00 H new ATOM 0 HA VAL A 8 11.683 -6.487 -1.978 1.00 0.00 H new ATOM 0 HB VAL A 8 12.596 -8.815 -0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.052 -8.563 -0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.436 -8.980 -2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.925 -7.307 -2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.665 -7.264 0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.459 -5.934 -0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.031 -6.728 0.345 1.00 0.00 H new ATOM 110 N LYS A 9 13.374 -5.729 -3.609 1.00 0.00 N ATOM 111 CA LYS A 9 14.163 -5.222 -4.718 1.00 0.00 C ATOM 112 C LYS A 9 14.948 -3.991 -4.258 1.00 0.00 C ATOM 113 O LYS A 9 14.371 -2.926 -4.049 1.00 0.00 O ATOM 114 CB LYS A 9 13.274 -4.964 -5.935 1.00 0.00 C ATOM 115 CG LYS A 9 12.884 -6.279 -6.616 1.00 0.00 C ATOM 116 CD LYS A 9 11.501 -6.744 -6.156 1.00 0.00 C ATOM 117 CE LYS A 9 10.514 -6.774 -7.326 1.00 0.00 C ATOM 118 NZ LYS A 9 9.770 -8.052 -7.344 1.00 0.00 N ATOM 0 H LYS A 9 13.132 -5.032 -2.904 1.00 0.00 H new ATOM 0 HA LYS A 9 14.893 -5.966 -5.038 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.376 -4.429 -5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.799 -4.324 -6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.886 -6.147 -7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.624 -7.045 -6.387 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.576 -7.737 -5.714 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.129 -6.076 -5.379 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.816 -5.941 -7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.051 -6.646 -8.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.287 -8.160 -8.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.433 -8.842 -7.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.066 -8.055 -6.578 1.00 0.00 H new ATOM 127 N GLU A 10 16.252 -4.179 -4.114 1.00 0.00 N ATOM 128 CA GLU A 10 17.121 -3.099 -3.684 1.00 0.00 C ATOM 129 C GLU A 10 16.787 -2.688 -2.248 1.00 0.00 C ATOM 130 O GLU A 10 17.642 -2.169 -1.532 1.00 0.00 O ATOM 131 CB GLU A 10 17.021 -1.903 -4.634 1.00 0.00 C ATOM 132 CG GLU A 10 17.559 -0.631 -3.973 1.00 0.00 C ATOM 133 CD GLU A 10 18.293 0.245 -4.990 1.00 0.00 C ATOM 134 OE1 GLU A 10 17.727 0.583 -6.040 1.00 0.00 O ATOM 135 OE2 GLU A 10 19.494 0.578 -4.657 1.00 0.00 O ATOM 0 H GLU A 10 16.727 -5.065 -4.288 1.00 0.00 H new ATOM 0 HA GLU A 10 18.151 -3.456 -3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.583 -2.109 -5.545 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.982 -1.753 -4.928 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.736 -0.070 -3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.236 -0.897 -3.161 1.00 0.00 H new ATOM 141 N SER A 11 15.541 -2.936 -1.871 1.00 0.00 N ATOM 142 CA SER A 11 15.083 -2.598 -0.534 1.00 0.00 C ATOM 143 C SER A 11 13.566 -2.398 -0.535 1.00 0.00 C ATOM 144 O SER A 11 12.961 -2.203 0.518 1.00 0.00 O ATOM 145 CB SER A 11 15.783 -1.342 -0.012 1.00 0.00 C ATOM 146 OG SER A 11 16.307 -0.544 -1.071 1.00 0.00 O ATOM 0 H SER A 11 14.835 -3.367 -2.468 1.00 0.00 H new ATOM 0 HA SER A 11 15.334 -3.424 0.132 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.078 -0.751 0.573 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.592 -1.630 0.659 1.00 0.00 H new ATOM 0 HG SER A 11 17.257 -0.749 -1.196 1.00 0.00 H new ATOM 151 N VAL A 12 12.995 -2.455 -1.730 1.00 0.00 N ATOM 152 CA VAL A 12 11.560 -2.282 -1.882 1.00 0.00 C ATOM 153 C VAL A 12 10.867 -3.634 -1.700 1.00 0.00 C ATOM 154 O VAL A 12 11.193 -4.600 -2.386 1.00 0.00 O ATOM 155 CB VAL A 12 11.252 -1.629 -3.231 1.00 0.00 C ATOM 156 CG1 VAL A 12 11.715 -2.516 -4.388 1.00 0.00 C ATOM 157 CG2 VAL A 12 9.762 -1.301 -3.353 1.00 0.00 C ATOM 0 H VAL A 12 13.500 -2.618 -2.601 1.00 0.00 H new ATOM 0 HA VAL A 12 11.172 -1.611 -1.115 1.00 0.00 H new ATOM 0 HB VAL A 12 11.807 -0.692 -3.285 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.484 -2.028 -5.335 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.791 -2.677 -4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.201 -3.476 -4.339 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.569 -0.838 -4.321 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.179 -2.218 -3.267 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.475 -0.613 -2.558 1.00 0.00 H new ATOM 167 N LEU A 13 9.922 -3.658 -0.771 1.00 0.00 N ATOM 168 CA LEU A 13 9.179 -4.874 -0.490 1.00 0.00 C ATOM 169 C LEU A 13 7.825 -4.814 -1.199 1.00 0.00 C ATOM 170 O LEU A 13 6.882 -4.205 -0.694 1.00 0.00 O ATOM 171 CB LEU A 13 9.074 -5.102 1.020 1.00 0.00 C ATOM 172 CG LEU A 13 9.725 -4.036 1.905 1.00 0.00 C ATOM 173 CD1 LEU A 13 8.695 -3.004 2.366 1.00 0.00 C ATOM 174 CD2 LEU A 13 10.461 -4.678 3.083 1.00 0.00 C ATOM 0 H LEU A 13 9.654 -2.854 -0.203 1.00 0.00 H new ATOM 0 HA LEU A 13 9.707 -5.743 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.019 -5.171 1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.525 -6.066 1.254 1.00 0.00 H new ATOM 0 HG LEU A 13 10.469 -3.505 1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.183 -2.258 2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.255 -2.516 1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.912 -3.502 2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.915 -3.900 3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.755 -5.249 3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.239 -5.343 2.707 1.00 0.00 H new ATOM 185 N CYS A 14 7.769 -5.457 -2.356 1.00 0.00 N ATOM 186 CA CYS A 14 6.545 -5.484 -3.139 1.00 0.00 C ATOM 187 C CYS A 14 5.555 -6.425 -2.449 1.00 0.00 C ATOM 188 O CYS A 14 5.902 -7.552 -2.103 1.00 0.00 O ATOM 189 CB CYS A 14 6.810 -5.898 -4.588 1.00 0.00 C ATOM 190 SG CYS A 14 8.496 -5.388 -5.086 1.00 0.00 S ATOM 0 H CYS A 14 8.552 -5.963 -2.770 1.00 0.00 H new ATOM 0 HA CYS A 14 6.119 -4.482 -3.188 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.702 -6.978 -4.692 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.073 -5.439 -5.247 1.00 0.00 H new ATOM 0 HG CYS A 14 8.606 -4.097 -4.985 1.00 0.00 H new ATOM 195 N ILE A 15 4.340 -5.926 -2.270 1.00 0.00 N ATOM 196 CA ILE A 15 3.298 -6.707 -1.628 1.00 0.00 C ATOM 197 C ILE A 15 2.105 -6.836 -2.577 1.00 0.00 C ATOM 198 O ILE A 15 1.317 -5.902 -2.720 1.00 0.00 O ATOM 199 CB ILE A 15 2.939 -6.107 -0.268 1.00 0.00 C ATOM 200 CG1 ILE A 15 3.810 -6.701 0.841 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.446 -6.270 0.028 1.00 0.00 C ATOM 202 CD1 ILE A 15 5.296 -6.505 0.535 1.00 0.00 C ATOM 0 H ILE A 15 4.055 -4.990 -2.559 1.00 0.00 H new ATOM 0 HA ILE A 15 3.652 -7.717 -1.421 1.00 0.00 H new ATOM 0 HB ILE A 15 3.146 -5.037 -0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.566 -6.229 1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.594 -7.764 0.948 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.218 -5.835 1.001 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.865 -5.762 -0.742 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.190 -7.330 0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.893 -6.936 1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.542 -6.999 -0.405 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.513 -5.440 0.453 1.00 0.00 H new ATOM 213 N ARG A 16 2.009 -8.001 -3.202 1.00 0.00 N ATOM 214 CA ARG A 16 0.926 -8.263 -4.134 1.00 0.00 C ATOM 215 C ARG A 16 -0.221 -8.985 -3.425 1.00 0.00 C ATOM 216 O ARG A 16 -0.147 -10.190 -3.186 1.00 0.00 O ATOM 217 CB ARG A 16 1.406 -9.116 -5.310 1.00 0.00 C ATOM 218 CG ARG A 16 1.246 -8.363 -6.633 1.00 0.00 C ATOM 219 CD ARG A 16 2.571 -8.314 -7.399 1.00 0.00 C ATOM 220 NE ARG A 16 2.327 -8.517 -8.845 1.00 0.00 N ATOM 221 CZ ARG A 16 1.942 -7.540 -9.693 1.00 0.00 C ATOM 222 NH1 ARG A 16 1.753 -6.280 -9.245 1.00 0.00 N ATOM 223 NH2 ARG A 16 1.754 -7.834 -10.965 1.00 0.00 N ATOM 0 H ARG A 16 2.664 -8.774 -3.081 1.00 0.00 H new ATOM 0 HA ARG A 16 0.576 -7.303 -4.514 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.452 -9.386 -5.165 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.838 -10.046 -5.345 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.486 -8.851 -7.244 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.896 -7.349 -6.439 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.060 -7.354 -7.235 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.246 -9.083 -7.024 1.00 0.00 H new ATOM 0 HE ARG A 16 2.458 -9.455 -9.225 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.901 -6.061 -8.260 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.462 -5.547 -9.892 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.900 -8.788 -11.295 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.463 -7.107 -11.619 1.00 0.00 H new ATOM 233 N LEU A 17 -1.254 -8.219 -3.107 1.00 0.00 N ATOM 234 CA LEU A 17 -2.415 -8.771 -2.429 1.00 0.00 C ATOM 235 C LEU A 17 -3.491 -9.108 -3.463 1.00 0.00 C ATOM 236 O LEU A 17 -3.824 -8.281 -4.311 1.00 0.00 O ATOM 237 CB LEU A 17 -2.895 -7.821 -1.330 1.00 0.00 C ATOM 238 CG LEU A 17 -2.237 -7.994 0.040 1.00 0.00 C ATOM 239 CD1 LEU A 17 -2.297 -6.695 0.846 1.00 0.00 C ATOM 240 CD2 LEU A 17 -2.854 -9.169 0.801 1.00 0.00 C ATOM 0 H LEU A 17 -1.311 -7.220 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.155 -9.701 -1.924 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.729 -6.797 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.971 -7.947 -1.213 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.184 -8.228 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.822 -6.846 1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.774 -5.907 0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.338 -6.406 0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.368 -9.270 1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.919 -8.990 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.715 -10.086 0.229 1.00 0.00 H new ATOM 251 N THR A 18 -4.005 -10.324 -3.359 1.00 0.00 N ATOM 252 CA THR A 18 -5.037 -10.781 -4.275 1.00 0.00 C ATOM 253 C THR A 18 -6.228 -11.346 -3.499 1.00 0.00 C ATOM 254 O THR A 18 -6.108 -12.372 -2.830 1.00 0.00 O ATOM 255 CB THR A 18 -4.404 -11.791 -5.235 1.00 0.00 C ATOM 256 OG1 THR A 18 -3.449 -12.481 -4.433 1.00 0.00 O ATOM 257 CG2 THR A 18 -3.562 -11.118 -6.320 1.00 0.00 C ATOM 0 H THR A 18 -3.727 -11.007 -2.655 1.00 0.00 H new ATOM 0 HA THR A 18 -5.435 -9.955 -4.864 1.00 0.00 H new ATOM 0 HB THR A 18 -5.187 -12.389 -5.701 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.993 -13.157 -4.977 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.136 -11.879 -6.974 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.191 -10.447 -6.905 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.758 -10.547 -5.855 1.00 0.00 H new ATOM 265 N GLY A 19 -7.350 -10.651 -3.611 1.00 0.00 N ATOM 266 CA GLY A 19 -8.562 -11.071 -2.927 1.00 0.00 C ATOM 267 C GLY A 19 -9.505 -9.886 -2.707 1.00 0.00 C ATOM 268 O GLY A 19 -10.034 -9.323 -3.662 1.00 0.00 O ATOM 0 H GLY A 19 -7.446 -9.800 -4.165 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.067 -11.839 -3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.306 -11.520 -1.967 1.00 0.00 H new ATOM 272 N GLU A 20 -9.686 -9.544 -1.439 1.00 0.00 N ATOM 273 CA GLU A 20 -10.555 -8.436 -1.080 1.00 0.00 C ATOM 274 C GLU A 20 -9.787 -7.406 -0.249 1.00 0.00 C ATOM 275 O GLU A 20 -8.749 -7.720 0.331 1.00 0.00 O ATOM 276 CB GLU A 20 -11.794 -8.932 -0.332 1.00 0.00 C ATOM 277 CG GLU A 20 -13.023 -8.928 -1.243 1.00 0.00 C ATOM 278 CD GLU A 20 -13.274 -10.318 -1.831 1.00 0.00 C ATOM 279 OE1 GLU A 20 -12.317 -11.023 -2.186 1.00 0.00 O ATOM 280 OE2 GLU A 20 -14.516 -10.660 -1.913 1.00 0.00 O ATOM 0 H GLU A 20 -9.246 -10.015 -0.648 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.894 -7.953 -1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.618 -9.940 0.042 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.978 -8.298 0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.898 -8.605 -0.678 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.880 -8.208 -2.049 1.00 0.00 H new ATOM 286 N LEU A 21 -10.329 -6.197 -0.215 1.00 0.00 N ATOM 287 CA LEU A 21 -9.708 -5.119 0.535 1.00 0.00 C ATOM 288 C LEU A 21 -10.696 -4.597 1.580 1.00 0.00 C ATOM 289 O LEU A 21 -11.343 -3.572 1.370 1.00 0.00 O ATOM 290 CB LEU A 21 -9.186 -4.038 -0.412 1.00 0.00 C ATOM 291 CG LEU A 21 -7.679 -4.052 -0.680 1.00 0.00 C ATOM 292 CD1 LEU A 21 -6.909 -4.544 0.548 1.00 0.00 C ATOM 293 CD2 LEU A 21 -7.352 -4.872 -1.929 1.00 0.00 C ATOM 0 H LEU A 21 -11.192 -5.941 -0.695 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.835 -5.484 1.075 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.705 -4.136 -1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.453 -3.064 -0.002 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.356 -3.029 -0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.841 -4.545 0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.108 -3.883 1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.229 -5.556 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.275 -4.866 -2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.692 -5.898 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.856 -4.437 -2.792 1.00 0.00 H new ATOM 304 N ASP A 22 -10.782 -5.324 2.684 1.00 0.00 N ATOM 305 CA ASP A 22 -11.680 -4.947 3.762 1.00 0.00 C ATOM 306 C ASP A 22 -10.988 -5.191 5.105 1.00 0.00 C ATOM 307 O ASP A 22 -9.860 -5.679 5.147 1.00 0.00 O ATOM 308 CB ASP A 22 -12.961 -5.784 3.731 1.00 0.00 C ATOM 309 CG ASP A 22 -12.820 -7.203 4.285 1.00 0.00 C ATOM 310 OD1 ASP A 22 -13.140 -7.466 5.453 1.00 0.00 O ATOM 311 OD2 ASP A 22 -12.353 -8.070 3.452 1.00 0.00 O ATOM 0 H ASP A 22 -10.244 -6.173 2.855 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.934 -3.895 3.636 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.731 -5.263 4.300 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.312 -5.846 2.701 1.00 0.00 H new ATOM 316 N HIS A 23 -11.695 -4.840 6.170 1.00 0.00 N ATOM 317 CA HIS A 23 -11.163 -5.014 7.511 1.00 0.00 C ATOM 318 C HIS A 23 -10.575 -6.420 7.651 1.00 0.00 C ATOM 319 O HIS A 23 -9.642 -6.632 8.423 1.00 0.00 O ATOM 320 CB HIS A 23 -12.233 -4.711 8.563 1.00 0.00 C ATOM 321 CG HIS A 23 -13.110 -5.892 8.904 1.00 0.00 C ATOM 322 ND1 HIS A 23 -13.039 -6.553 10.117 1.00 0.00 N ATOM 323 CD2 HIS A 23 -14.079 -6.523 8.179 1.00 0.00 C ATOM 324 CE1 HIS A 23 -13.928 -7.535 10.112 1.00 0.00 C ATOM 325 NE2 HIS A 23 -14.571 -7.514 8.909 1.00 0.00 N ATOM 0 H HIS A 23 -12.631 -4.436 6.131 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.356 -4.302 7.682 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.745 -4.359 9.472 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.862 -3.896 8.203 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -14.392 -6.259 7.180 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -14.111 -8.230 10.918 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -15.309 -8.155 8.619 1.00 0.00 H new ATOM 332 N HIS A 24 -11.145 -7.343 6.891 1.00 0.00 N ATOM 333 CA HIS A 24 -10.689 -8.722 6.920 1.00 0.00 C ATOM 334 C HIS A 24 -9.315 -8.823 6.255 1.00 0.00 C ATOM 335 O HIS A 24 -8.370 -9.336 6.852 1.00 0.00 O ATOM 336 CB HIS A 24 -11.725 -9.651 6.282 1.00 0.00 C ATOM 337 CG HIS A 24 -12.913 -9.945 7.167 1.00 0.00 C ATOM 338 ND1 HIS A 24 -12.910 -10.950 8.118 1.00 0.00 N ATOM 339 CD2 HIS A 24 -14.141 -9.355 7.235 1.00 0.00 C ATOM 340 CE1 HIS A 24 -14.088 -10.956 8.725 1.00 0.00 C ATOM 341 NE2 HIS A 24 -14.849 -9.967 8.175 1.00 0.00 N ATOM 0 H HIS A 24 -11.919 -7.163 6.251 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.579 -9.050 7.954 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -12.078 -9.202 5.354 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.241 -10.591 6.017 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -12.133 -11.580 8.318 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -14.479 -8.529 6.627 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -14.392 -11.626 9.516 1.00 0.00 H new ATOM 348 N THR A 25 -9.248 -8.325 5.029 1.00 0.00 N ATOM 349 CA THR A 25 -8.005 -8.352 4.277 1.00 0.00 C ATOM 350 C THR A 25 -7.069 -7.240 4.755 1.00 0.00 C ATOM 351 O THR A 25 -5.848 -7.374 4.674 1.00 0.00 O ATOM 352 CB THR A 25 -8.350 -8.259 2.790 1.00 0.00 C ATOM 353 OG1 THR A 25 -8.415 -6.858 2.536 1.00 0.00 O ATOM 354 CG2 THR A 25 -9.763 -8.759 2.485 1.00 0.00 C ATOM 0 H THR A 25 -10.035 -7.900 4.538 1.00 0.00 H new ATOM 0 HA THR A 25 -7.463 -9.283 4.441 1.00 0.00 H new ATOM 0 HB THR A 25 -7.628 -8.837 2.213 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.508 -6.500 2.443 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.957 -8.671 1.416 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.852 -9.803 2.786 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.488 -8.160 3.036 1.00 0.00 H new ATOM 362 N ALA A 26 -7.675 -6.168 5.242 1.00 0.00 N ATOM 363 CA ALA A 26 -6.911 -5.033 5.731 1.00 0.00 C ATOM 364 C ALA A 26 -6.132 -5.450 6.980 1.00 0.00 C ATOM 365 O ALA A 26 -5.208 -4.756 7.401 1.00 0.00 O ATOM 366 CB ALA A 26 -7.854 -3.858 5.999 1.00 0.00 C ATOM 0 H ALA A 26 -8.687 -6.061 5.309 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.188 -4.707 4.983 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.280 -3.007 6.366 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.363 -3.582 5.075 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.592 -4.147 6.747 1.00 0.00 H new ATOM 372 N GLU A 27 -6.534 -6.582 7.539 1.00 0.00 N ATOM 373 CA GLU A 27 -5.884 -7.100 8.732 1.00 0.00 C ATOM 374 C GLU A 27 -4.503 -7.658 8.384 1.00 0.00 C ATOM 375 O GLU A 27 -3.523 -7.370 9.070 1.00 0.00 O ATOM 376 CB GLU A 27 -6.751 -8.164 9.410 1.00 0.00 C ATOM 377 CG GLU A 27 -7.193 -7.705 10.801 1.00 0.00 C ATOM 378 CD GLU A 27 -8.692 -7.398 10.826 1.00 0.00 C ATOM 379 OE1 GLU A 27 -9.493 -8.174 10.282 1.00 0.00 O ATOM 380 OE2 GLU A 27 -9.016 -6.311 11.439 1.00 0.00 O ATOM 0 H GLU A 27 -7.301 -7.155 7.188 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.755 -6.279 9.438 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.627 -8.370 8.795 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.192 -9.096 9.491 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.964 -8.479 11.533 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.631 -6.817 11.090 1.00 0.00 H new ATOM 386 N THR A 28 -4.469 -8.446 7.320 1.00 0.00 N ATOM 387 CA THR A 28 -3.224 -9.047 6.873 1.00 0.00 C ATOM 388 C THR A 28 -2.105 -8.004 6.854 1.00 0.00 C ATOM 389 O THR A 28 -1.016 -8.247 7.372 1.00 0.00 O ATOM 390 CB THR A 28 -3.473 -9.694 5.509 1.00 0.00 C ATOM 391 OG1 THR A 28 -3.686 -11.070 5.812 1.00 0.00 O ATOM 392 CG2 THR A 28 -2.226 -9.695 4.625 1.00 0.00 C ATOM 0 H THR A 28 -5.284 -8.682 6.754 1.00 0.00 H new ATOM 0 HA THR A 28 -2.891 -9.824 7.562 1.00 0.00 H new ATOM 0 HB THR A 28 -4.278 -9.166 4.998 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.857 -11.565 4.984 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.458 -10.165 3.669 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.900 -8.669 4.455 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.430 -10.251 5.120 1.00 0.00 H new ATOM 400 N LEU A 29 -2.412 -6.864 6.253 1.00 0.00 N ATOM 401 CA LEU A 29 -1.445 -5.783 6.160 1.00 0.00 C ATOM 402 C LEU A 29 -1.194 -5.208 7.556 1.00 0.00 C ATOM 403 O LEU A 29 -0.113 -4.689 7.831 1.00 0.00 O ATOM 404 CB LEU A 29 -1.906 -4.740 5.140 1.00 0.00 C ATOM 405 CG LEU A 29 -1.367 -3.322 5.341 1.00 0.00 C ATOM 406 CD1 LEU A 29 -1.924 -2.701 6.623 1.00 0.00 C ATOM 407 CD2 LEU A 29 0.163 -3.308 5.314 1.00 0.00 C ATOM 0 H LEU A 29 -3.317 -6.665 5.826 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.489 -6.156 5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.616 -5.080 4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.995 -4.699 5.158 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.709 -2.705 4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.525 -1.694 6.742 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.011 -2.656 6.563 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.633 -3.310 7.479 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.520 -2.288 5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.547 -3.944 6.112 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.513 -3.682 4.352 1.00 0.00 H new ATOM 418 N LYS A 30 -2.209 -5.321 8.399 1.00 0.00 N ATOM 419 CA LYS A 30 -2.112 -4.820 9.759 1.00 0.00 C ATOM 420 C LYS A 30 -0.806 -5.311 10.387 1.00 0.00 C ATOM 421 O LYS A 30 -0.116 -4.552 11.067 1.00 0.00 O ATOM 422 CB LYS A 30 -3.359 -5.197 10.561 1.00 0.00 C ATOM 423 CG LYS A 30 -3.593 -4.212 11.708 1.00 0.00 C ATOM 424 CD LYS A 30 -3.726 -4.946 13.043 1.00 0.00 C ATOM 425 CE LYS A 30 -2.362 -5.100 13.720 1.00 0.00 C ATOM 426 NZ LYS A 30 -2.493 -4.949 15.187 1.00 0.00 N ATOM 0 H LYS A 30 -3.103 -5.753 8.166 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.078 -3.731 9.761 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.229 -5.208 9.904 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.248 -6.205 10.960 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.765 -3.505 11.759 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.496 -3.633 11.516 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.402 -4.397 13.699 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.168 -5.929 12.880 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.941 -6.077 13.485 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.670 -4.353 13.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.559 -5.056 15.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.875 -4.007 15.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.137 -5.678 15.555 1.00 0.00 H new ATOM 435 N GLN A 31 -0.506 -6.577 10.136 1.00 0.00 N ATOM 436 CA GLN A 31 0.706 -7.178 10.668 1.00 0.00 C ATOM 437 C GLN A 31 1.927 -6.692 9.885 1.00 0.00 C ATOM 438 O GLN A 31 3.018 -6.575 10.440 1.00 0.00 O ATOM 439 CB GLN A 31 0.614 -8.705 10.649 1.00 0.00 C ATOM 440 CG GLN A 31 0.889 -9.254 9.248 1.00 0.00 C ATOM 441 CD GLN A 31 -0.049 -10.418 8.922 1.00 0.00 C ATOM 442 OE1 GLN A 31 0.366 -11.481 8.491 1.00 0.00 O ATOM 443 NE2 GLN A 31 -1.333 -10.159 9.149 1.00 0.00 N ATOM 0 H GLN A 31 -1.081 -7.203 9.572 1.00 0.00 H new ATOM 0 HA GLN A 31 0.818 -6.867 11.707 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.331 -9.125 11.355 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.377 -9.017 10.978 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.760 -8.461 8.511 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.925 -9.587 9.181 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.613 -9.247 9.511 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.038 -10.872 8.961 1.00 0.00 H new ATOM 450 N LYS A 32 1.703 -6.424 8.607 1.00 0.00 N ATOM 451 CA LYS A 32 2.772 -5.954 7.742 1.00 0.00 C ATOM 452 C LYS A 32 3.218 -4.564 8.198 1.00 0.00 C ATOM 453 O LYS A 32 4.257 -4.068 7.766 1.00 0.00 O ATOM 454 CB LYS A 32 2.338 -6.012 6.276 1.00 0.00 C ATOM 455 CG LYS A 32 3.494 -5.631 5.347 1.00 0.00 C ATOM 456 CD LYS A 32 3.404 -4.161 4.933 1.00 0.00 C ATOM 457 CE LYS A 32 4.624 -3.749 4.107 1.00 0.00 C ATOM 458 NZ LYS A 32 5.855 -3.833 4.923 1.00 0.00 N ATOM 0 H LYS A 32 0.797 -6.523 8.149 1.00 0.00 H new ATOM 0 HA LYS A 32 3.641 -6.608 7.819 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.989 -7.016 6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.499 -5.336 6.114 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.444 -5.813 5.849 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.476 -6.264 4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.496 -3.998 4.353 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.333 -3.533 5.821 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.715 -4.395 3.234 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.494 -2.732 3.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.406 -2.958 4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.600 -3.955 5.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.425 -4.644 4.609 1.00 0.00 H new ATOM 467 N VAL A 33 2.409 -3.974 9.066 1.00 0.00 N ATOM 468 CA VAL A 33 2.707 -2.649 9.586 1.00 0.00 C ATOM 469 C VAL A 33 3.825 -2.754 10.626 1.00 0.00 C ATOM 470 O VAL A 33 4.850 -2.084 10.510 1.00 0.00 O ATOM 471 CB VAL A 33 1.434 -2.006 10.139 1.00 0.00 C ATOM 472 CG1 VAL A 33 1.658 -0.523 10.443 1.00 0.00 C ATOM 473 CG2 VAL A 33 0.260 -2.199 9.178 1.00 0.00 C ATOM 0 H VAL A 33 1.548 -4.388 9.422 1.00 0.00 H new ATOM 0 HA VAL A 33 3.065 -1.997 8.789 1.00 0.00 H new ATOM 0 HB VAL A 33 1.184 -2.506 11.075 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.738 -0.089 10.835 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.452 -0.419 11.182 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.944 -0.003 9.528 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.632 -1.732 9.595 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.496 -1.738 8.219 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.079 -3.264 9.034 1.00 0.00 H new ATOM 483 N THR A 34 3.589 -3.601 11.618 1.00 0.00 N ATOM 484 CA THR A 34 4.563 -3.801 12.678 1.00 0.00 C ATOM 485 C THR A 34 5.933 -4.137 12.085 1.00 0.00 C ATOM 486 O THR A 34 6.960 -3.690 12.594 1.00 0.00 O ATOM 487 CB THR A 34 4.025 -4.883 13.616 1.00 0.00 C ATOM 488 OG1 THR A 34 5.177 -5.335 14.321 1.00 0.00 O ATOM 489 CG2 THR A 34 3.538 -6.123 12.863 1.00 0.00 C ATOM 0 H THR A 34 2.738 -4.156 11.710 1.00 0.00 H new ATOM 0 HA THR A 34 4.709 -2.890 13.259 1.00 0.00 H new ATOM 0 HB THR A 34 3.207 -4.475 14.209 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.919 -6.038 14.953 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.167 -6.859 13.576 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.736 -5.842 12.180 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.364 -6.552 12.296 1.00 0.00 H new ATOM 497 N GLN A 35 5.905 -4.923 11.019 1.00 0.00 N ATOM 498 CA GLN A 35 7.132 -5.324 10.352 1.00 0.00 C ATOM 499 C GLN A 35 7.854 -4.100 9.787 1.00 0.00 C ATOM 500 O GLN A 35 9.064 -3.955 9.957 1.00 0.00 O ATOM 501 CB GLN A 35 6.848 -6.349 9.252 1.00 0.00 C ATOM 502 CG GLN A 35 6.529 -7.720 9.849 1.00 0.00 C ATOM 503 CD GLN A 35 5.557 -8.495 8.956 1.00 0.00 C ATOM 504 OE1 GLN A 35 5.944 -9.294 8.119 1.00 0.00 O ATOM 505 NE2 GLN A 35 4.277 -8.215 9.180 1.00 0.00 N ATOM 0 H GLN A 35 5.052 -5.293 10.600 1.00 0.00 H new ATOM 0 HA GLN A 35 7.783 -5.798 11.086 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.011 -6.010 8.642 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.712 -6.428 8.592 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.450 -8.290 9.971 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.096 -7.596 10.842 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.021 -7.535 9.896 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.550 -8.680 8.636 1.00 0.00 H new ATOM 512 N SER A 36 7.081 -3.248 9.128 1.00 0.00 N ATOM 513 CA SER A 36 7.633 -2.041 8.537 1.00 0.00 C ATOM 514 C SER A 36 7.889 -0.996 9.625 1.00 0.00 C ATOM 515 O SER A 36 8.723 -0.108 9.453 1.00 0.00 O ATOM 516 CB SER A 36 6.697 -1.474 7.467 1.00 0.00 C ATOM 517 OG SER A 36 7.411 -1.024 6.319 1.00 0.00 O ATOM 0 H SER A 36 6.078 -3.370 8.991 1.00 0.00 H new ATOM 0 HA SER A 36 8.578 -2.296 8.057 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.979 -2.239 7.171 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.126 -0.646 7.887 1.00 0.00 H new ATOM 0 HG SER A 36 6.779 -0.671 5.658 1.00 0.00 H new ATOM 522 N LEU A 37 7.157 -1.136 10.720 1.00 0.00 N ATOM 523 CA LEU A 37 7.294 -0.216 11.835 1.00 0.00 C ATOM 524 C LEU A 37 8.770 -0.106 12.222 1.00 0.00 C ATOM 525 O LEU A 37 9.253 0.979 12.542 1.00 0.00 O ATOM 526 CB LEU A 37 6.385 -0.636 12.993 1.00 0.00 C ATOM 527 CG LEU A 37 5.280 0.352 13.371 1.00 0.00 C ATOM 528 CD1 LEU A 37 4.224 0.443 12.266 1.00 0.00 C ATOM 529 CD2 LEU A 37 4.663 -0.006 14.724 1.00 0.00 C ATOM 0 H LEU A 37 6.466 -1.874 10.859 1.00 0.00 H new ATOM 0 HA LEU A 37 6.964 0.782 11.547 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.921 -1.589 12.737 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.006 -0.809 13.872 1.00 0.00 H new ATOM 0 HG LEU A 37 5.727 1.341 13.472 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.450 1.152 12.560 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.693 0.780 11.342 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.776 -0.538 12.109 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.880 0.712 14.968 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.234 -1.007 14.675 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.434 0.021 15.494 1.00 0.00 H new ATOM 540 N GLU A 38 9.446 -1.245 12.180 1.00 0.00 N ATOM 541 CA GLU A 38 10.857 -1.291 12.522 1.00 0.00 C ATOM 542 C GLU A 38 11.493 -2.572 11.979 1.00 0.00 C ATOM 543 O GLU A 38 11.805 -3.486 12.740 1.00 0.00 O ATOM 544 CB GLU A 38 11.059 -1.177 14.034 1.00 0.00 C ATOM 545 CG GLU A 38 10.677 0.217 14.535 1.00 0.00 C ATOM 546 CD GLU A 38 11.279 0.487 15.916 1.00 0.00 C ATOM 547 OE1 GLU A 38 12.066 -0.328 16.420 1.00 0.00 O ATOM 548 OE2 GLU A 38 10.903 1.591 16.468 1.00 0.00 O ATOM 0 H GLU A 38 9.042 -2.143 11.914 1.00 0.00 H new ATOM 0 HA GLU A 38 11.351 -0.438 12.057 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.455 -1.928 14.543 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.100 -1.384 14.282 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.026 0.970 13.828 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.592 0.305 14.584 1.00 0.00 H new ATOM 554 N LYS A 39 11.669 -2.596 10.666 1.00 0.00 N ATOM 555 CA LYS A 39 12.264 -3.750 10.011 1.00 0.00 C ATOM 556 C LYS A 39 13.754 -3.809 10.347 1.00 0.00 C ATOM 557 O LYS A 39 14.271 -4.865 10.712 1.00 0.00 O ATOM 558 CB LYS A 39 11.972 -3.723 8.510 1.00 0.00 C ATOM 559 CG LYS A 39 11.622 -5.120 7.993 1.00 0.00 C ATOM 560 CD LYS A 39 11.695 -5.176 6.466 1.00 0.00 C ATOM 561 CE LYS A 39 13.118 -5.482 5.996 1.00 0.00 C ATOM 562 NZ LYS A 39 13.092 -6.303 4.764 1.00 0.00 N ATOM 0 H LYS A 39 11.410 -1.835 10.038 1.00 0.00 H new ATOM 0 HA LYS A 39 11.817 -4.672 10.382 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.147 -3.040 8.309 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.840 -3.340 7.974 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.308 -5.852 8.420 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.619 -5.393 8.323 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.013 -5.940 6.094 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.367 -4.225 6.048 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.653 -4.551 5.809 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.661 -6.010 6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.990 -6.820 4.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.305 -6.981 4.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.963 -5.685 3.938 1.00 0.00 H new ATOM 571 N ASP A 40 14.406 -2.663 10.213 1.00 0.00 N ATOM 572 CA ASP A 40 15.827 -2.572 10.499 1.00 0.00 C ATOM 573 C ASP A 40 16.369 -1.250 9.952 1.00 0.00 C ATOM 574 O ASP A 40 16.332 -0.229 10.637 1.00 0.00 O ATOM 575 CB ASP A 40 16.598 -3.712 9.829 1.00 0.00 C ATOM 576 CG ASP A 40 16.790 -4.959 10.694 1.00 0.00 C ATOM 577 OD1 ASP A 40 16.367 -6.064 10.323 1.00 0.00 O ATOM 578 OD2 ASP A 40 17.410 -4.759 11.807 1.00 0.00 O ATOM 0 H ASP A 40 13.975 -1.789 9.910 1.00 0.00 H new ATOM 0 HA ASP A 40 15.958 -2.634 11.579 1.00 0.00 H new ATOM 0 HB2 ASP A 40 16.074 -3.998 8.917 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.578 -3.341 9.530 1.00 0.00 H new ATOM 583 N ASP A 41 16.859 -1.311 8.723 1.00 0.00 N ATOM 584 CA ASP A 41 17.407 -0.131 8.076 1.00 0.00 C ATOM 585 C ASP A 41 16.261 0.740 7.557 1.00 0.00 C ATOM 586 O ASP A 41 15.454 1.241 8.339 1.00 0.00 O ATOM 587 CB ASP A 41 18.286 -0.514 6.884 1.00 0.00 C ATOM 588 CG ASP A 41 18.992 0.657 6.199 1.00 0.00 C ATOM 589 OD1 ASP A 41 18.947 0.798 4.967 1.00 0.00 O ATOM 590 OD2 ASP A 41 19.618 1.458 6.993 1.00 0.00 O ATOM 0 H ASP A 41 16.888 -2.160 8.158 1.00 0.00 H new ATOM 0 HA ASP A 41 18.008 0.406 8.810 1.00 0.00 H new ATOM 0 HB2 ASP A 41 19.039 -1.226 7.221 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.669 -1.028 6.147 1.00 0.00 H new ATOM 595 N ILE A 42 16.226 0.894 6.241 1.00 0.00 N ATOM 596 CA ILE A 42 15.192 1.696 5.608 1.00 0.00 C ATOM 597 C ILE A 42 14.906 1.141 4.212 1.00 0.00 C ATOM 598 O ILE A 42 15.483 1.601 3.227 1.00 0.00 O ATOM 599 CB ILE A 42 15.583 3.176 5.614 1.00 0.00 C ATOM 600 CG1 ILE A 42 15.077 3.871 6.880 1.00 0.00 C ATOM 601 CG2 ILE A 42 15.099 3.875 4.344 1.00 0.00 C ATOM 602 CD1 ILE A 42 13.565 3.690 7.038 1.00 0.00 C ATOM 0 H ILE A 42 16.897 0.477 5.596 1.00 0.00 H new ATOM 0 HA ILE A 42 14.262 1.634 6.173 1.00 0.00 H new ATOM 0 HB ILE A 42 16.671 3.243 5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 42 15.589 3.464 7.752 1.00 0.00 H new ATOM 0 HG13 ILE A 42 15.317 4.933 6.837 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.390 4.925 4.373 1.00 0.00 H new ATOM 0 HG22 ILE A 42 15.548 3.398 3.473 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.013 3.801 4.279 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.231 4.193 7.945 1.00 0.00 H new ATOM 0 HD12 ILE A 42 13.055 4.120 6.176 1.00 0.00 H new ATOM 0 HD13 ILE A 42 13.331 2.628 7.105 1.00 0.00 H new ATOM 613 N ARG A 43 14.016 0.161 4.171 1.00 0.00 N ATOM 614 CA ARG A 43 13.646 -0.462 2.910 1.00 0.00 C ATOM 615 C ARG A 43 12.574 0.369 2.202 1.00 0.00 C ATOM 616 O ARG A 43 12.342 1.523 2.560 1.00 0.00 O ATOM 617 CB ARG A 43 13.119 -1.881 3.131 1.00 0.00 C ATOM 618 CG ARG A 43 14.215 -2.918 2.884 1.00 0.00 C ATOM 619 CD ARG A 43 15.579 -2.394 3.341 1.00 0.00 C ATOM 620 NE ARG A 43 16.381 -3.501 3.911 1.00 0.00 N ATOM 621 CZ ARG A 43 16.410 -3.816 5.223 1.00 0.00 C ATOM 622 NH1 ARG A 43 15.680 -3.111 6.114 1.00 0.00 N ATOM 623 NH2 ARG A 43 17.162 -4.824 5.622 1.00 0.00 N ATOM 0 H ARG A 43 13.540 -0.218 4.990 1.00 0.00 H new ATOM 0 HA ARG A 43 14.541 -0.512 2.289 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.744 -1.979 4.150 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.279 -2.069 2.463 1.00 0.00 H new ATOM 0 HG2 ARG A 43 13.977 -3.838 3.418 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.253 -3.166 1.823 1.00 0.00 H new ATOM 0 HD2 ARG A 43 16.107 -1.947 2.499 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.446 -1.609 4.086 1.00 0.00 H new ATOM 0 HE ARG A 43 16.947 -4.060 3.272 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.101 -2.334 5.797 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.708 -3.356 7.104 1.00 0.00 H new ATOM 0 HH21 ARG A 43 17.710 -5.352 4.943 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.196 -5.075 6.610 1.00 0.00 H new ATOM 633 N HIS A 44 11.950 -0.250 1.212 1.00 0.00 N ATOM 634 CA HIS A 44 10.907 0.418 0.451 1.00 0.00 C ATOM 635 C HIS A 44 9.697 -0.507 0.315 1.00 0.00 C ATOM 636 O HIS A 44 9.820 -1.722 0.465 1.00 0.00 O ATOM 637 CB HIS A 44 11.443 0.895 -0.901 1.00 0.00 C ATOM 638 CG HIS A 44 12.479 1.989 -0.800 1.00 0.00 C ATOM 639 ND1 HIS A 44 12.354 3.062 0.064 1.00 0.00 N ATOM 640 CD2 HIS A 44 13.658 2.162 -1.461 1.00 0.00 C ATOM 641 CE1 HIS A 44 13.415 3.842 -0.080 1.00 0.00 C ATOM 642 NE2 HIS A 44 14.223 3.283 -1.027 1.00 0.00 N ATOM 0 H HIS A 44 12.146 -1.207 0.918 1.00 0.00 H new ATOM 0 HA HIS A 44 10.579 1.311 0.983 1.00 0.00 H new ATOM 0 HB2 HIS A 44 11.877 0.045 -1.428 1.00 0.00 H new ATOM 0 HB3 HIS A 44 10.609 1.253 -1.505 1.00 0.00 H new ATOM 0 HD2 HIS A 44 14.064 1.500 -2.211 1.00 0.00 H new ATOM 0 HE1 HIS A 44 13.607 4.759 0.457 1.00 0.00 H new ATOM 0 HE2 HIS A 44 15.113 3.663 -1.348 1.00 0.00 H new ATOM 649 N ILE A 45 8.555 0.102 0.035 1.00 0.00 N ATOM 650 CA ILE A 45 7.322 -0.652 -0.122 1.00 0.00 C ATOM 651 C ILE A 45 6.894 -0.622 -1.591 1.00 0.00 C ATOM 652 O ILE A 45 7.346 0.229 -2.355 1.00 0.00 O ATOM 653 CB ILE A 45 6.252 -0.137 0.842 1.00 0.00 C ATOM 654 CG1 ILE A 45 6.008 1.360 0.641 1.00 0.00 C ATOM 655 CG2 ILE A 45 6.613 -0.470 2.291 1.00 0.00 C ATOM 656 CD1 ILE A 45 6.421 1.799 -0.766 1.00 0.00 C ATOM 0 H ILE A 45 8.457 1.110 -0.087 1.00 0.00 H new ATOM 0 HA ILE A 45 7.479 -1.698 0.143 1.00 0.00 H new ATOM 0 HB ILE A 45 5.316 -0.649 0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.954 1.585 0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.571 1.927 1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.836 -0.093 2.956 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.696 -1.551 2.406 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.565 -0.004 2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.237 2.867 -0.883 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.481 1.595 -0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.839 1.248 -1.505 1.00 0.00 H new ATOM 667 N VAL A 46 6.028 -1.560 -1.941 1.00 0.00 N ATOM 668 CA VAL A 46 5.532 -1.652 -3.304 1.00 0.00 C ATOM 669 C VAL A 46 4.204 -2.411 -3.310 1.00 0.00 C ATOM 670 O VAL A 46 4.177 -3.619 -3.539 1.00 0.00 O ATOM 671 CB VAL A 46 6.592 -2.293 -4.203 1.00 0.00 C ATOM 672 CG1 VAL A 46 5.946 -3.214 -5.240 1.00 0.00 C ATOM 673 CG2 VAL A 46 7.455 -1.226 -4.879 1.00 0.00 C ATOM 0 H VAL A 46 5.656 -2.264 -1.304 1.00 0.00 H new ATOM 0 HA VAL A 46 5.339 -0.658 -3.708 1.00 0.00 H new ATOM 0 HB VAL A 46 7.243 -2.901 -3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.721 -3.657 -5.866 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.395 -4.005 -4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.262 -2.638 -5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.200 -1.708 -5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.824 -0.580 -5.489 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.957 -0.628 -4.118 1.00 0.00 H new ATOM 683 N LEU A 47 3.135 -1.670 -3.057 1.00 0.00 N ATOM 684 CA LEU A 47 1.807 -2.258 -3.031 1.00 0.00 C ATOM 685 C LEU A 47 1.279 -2.379 -4.462 1.00 0.00 C ATOM 686 O LEU A 47 1.652 -1.594 -5.332 1.00 0.00 O ATOM 687 CB LEU A 47 0.887 -1.463 -2.101 1.00 0.00 C ATOM 688 CG LEU A 47 1.135 -1.639 -0.602 1.00 0.00 C ATOM 689 CD1 LEU A 47 1.079 -3.116 -0.206 1.00 0.00 C ATOM 690 CD2 LEU A 47 2.453 -0.983 -0.183 1.00 0.00 C ATOM 0 H LEU A 47 3.162 -0.668 -2.868 1.00 0.00 H new ATOM 0 HA LEU A 47 1.845 -3.266 -2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.985 -0.405 -2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.144 -1.745 -2.314 1.00 0.00 H new ATOM 0 HG LEU A 47 0.336 -1.130 -0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.259 -3.213 0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.096 -3.520 -0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.843 -3.669 -0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.605 -1.123 0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.277 -1.441 -0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.417 0.083 -0.408 1.00 0.00 H new ATOM 701 N ASN A 48 0.419 -3.368 -4.660 1.00 0.00 N ATOM 702 CA ASN A 48 -0.163 -3.601 -5.970 1.00 0.00 C ATOM 703 C ASN A 48 -1.168 -4.751 -5.879 1.00 0.00 C ATOM 704 O ASN A 48 -0.781 -5.908 -5.728 1.00 0.00 O ATOM 705 CB ASN A 48 0.909 -3.990 -6.988 1.00 0.00 C ATOM 706 CG ASN A 48 2.065 -4.730 -6.312 1.00 0.00 C ATOM 707 OD1 ASN A 48 1.939 -5.270 -5.225 1.00 0.00 O ATOM 708 ND2 ASN A 48 3.195 -4.727 -7.014 1.00 0.00 N ATOM 0 H ASN A 48 0.112 -4.016 -3.935 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.648 -2.680 -6.292 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.470 -4.622 -7.760 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.286 -3.096 -7.484 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.024 -5.196 -6.648 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.233 -4.256 -7.918 1.00 0.00 H new ATOM 714 N LEU A 49 -2.440 -4.392 -5.974 1.00 0.00 N ATOM 715 CA LEU A 49 -3.504 -5.380 -5.904 1.00 0.00 C ATOM 716 C LEU A 49 -4.055 -5.630 -7.309 1.00 0.00 C ATOM 717 O LEU A 49 -4.456 -4.694 -7.999 1.00 0.00 O ATOM 718 CB LEU A 49 -4.569 -4.949 -4.894 1.00 0.00 C ATOM 719 CG LEU A 49 -5.961 -4.673 -5.464 1.00 0.00 C ATOM 720 CD1 LEU A 49 -7.029 -5.479 -4.721 1.00 0.00 C ATOM 721 CD2 LEU A 49 -6.268 -3.174 -5.458 1.00 0.00 C ATOM 0 H LEU A 49 -2.758 -3.431 -6.099 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.117 -6.331 -5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.657 -5.726 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.220 -4.048 -4.390 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.975 -5.002 -6.503 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.009 -5.264 -5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.816 -6.543 -4.820 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.023 -5.205 -3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.264 -3.005 -5.868 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.228 -2.799 -4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.531 -2.649 -6.066 1.00 0.00 H new ATOM 732 N GLU A 50 -4.056 -6.898 -7.692 1.00 0.00 N ATOM 733 CA GLU A 50 -4.552 -7.284 -9.003 1.00 0.00 C ATOM 734 C GLU A 50 -5.954 -7.885 -8.885 1.00 0.00 C ATOM 735 O GLU A 50 -6.715 -7.891 -9.852 1.00 0.00 O ATOM 736 CB GLU A 50 -3.591 -8.260 -9.686 1.00 0.00 C ATOM 737 CG GLU A 50 -3.157 -7.733 -11.055 1.00 0.00 C ATOM 738 CD GLU A 50 -4.207 -8.047 -12.122 1.00 0.00 C ATOM 739 OE1 GLU A 50 -5.331 -7.526 -12.057 1.00 0.00 O ATOM 740 OE2 GLU A 50 -3.822 -8.861 -13.045 1.00 0.00 O ATOM 0 H GLU A 50 -3.721 -7.672 -7.118 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.613 -6.391 -9.625 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.714 -8.413 -9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.074 -9.230 -9.802 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.000 -6.656 -11.001 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.204 -8.181 -11.335 1.00 0.00 H new ATOM 746 N ASP A 51 -6.253 -8.378 -7.692 1.00 0.00 N ATOM 747 CA ASP A 51 -7.551 -8.980 -7.435 1.00 0.00 C ATOM 748 C ASP A 51 -8.403 -8.013 -6.610 1.00 0.00 C ATOM 749 O ASP A 51 -8.719 -8.290 -5.454 1.00 0.00 O ATOM 750 CB ASP A 51 -7.407 -10.280 -6.641 1.00 0.00 C ATOM 751 CG ASP A 51 -8.722 -10.882 -6.143 1.00 0.00 C ATOM 752 OD1 ASP A 51 -9.785 -10.250 -6.226 1.00 0.00 O ATOM 753 OD2 ASP A 51 -8.624 -12.068 -5.644 1.00 0.00 O ATOM 0 H ASP A 51 -5.619 -8.373 -6.893 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.020 -9.194 -8.395 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.902 -11.016 -7.266 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.762 -10.094 -5.782 1.00 0.00 H new ATOM 758 N LEU A 52 -8.751 -6.899 -7.237 1.00 0.00 N ATOM 759 CA LEU A 52 -9.560 -5.890 -6.576 1.00 0.00 C ATOM 760 C LEU A 52 -11.039 -6.163 -6.857 1.00 0.00 C ATOM 761 O LEU A 52 -11.446 -6.264 -8.013 1.00 0.00 O ATOM 762 CB LEU A 52 -9.106 -4.487 -6.982 1.00 0.00 C ATOM 763 CG LEU A 52 -9.981 -3.330 -6.495 1.00 0.00 C ATOM 764 CD1 LEU A 52 -11.429 -3.508 -6.956 1.00 0.00 C ATOM 765 CD2 LEU A 52 -9.878 -3.167 -4.977 1.00 0.00 C ATOM 0 H LEU A 52 -8.487 -6.673 -8.196 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.425 -5.943 -5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.094 -4.332 -6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.055 -4.444 -8.070 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.611 -2.408 -6.943 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.030 -2.673 -6.597 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.463 -3.538 -8.045 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.827 -4.440 -6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.509 -2.338 -4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.208 -4.084 -4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.843 -2.962 -4.702 1.00 0.00 H new ATOM 776 N SER A 53 -11.802 -6.276 -5.780 1.00 0.00 N ATOM 777 CA SER A 53 -13.227 -6.536 -5.896 1.00 0.00 C ATOM 778 C SER A 53 -14.001 -5.667 -4.903 1.00 0.00 C ATOM 779 O SER A 53 -14.435 -4.567 -5.242 1.00 0.00 O ATOM 780 CB SER A 53 -13.538 -8.016 -5.661 1.00 0.00 C ATOM 781 OG SER A 53 -14.928 -8.240 -5.441 1.00 0.00 O ATOM 0 H SER A 53 -11.460 -6.192 -4.823 1.00 0.00 H new ATOM 0 HA SER A 53 -13.539 -6.283 -6.909 1.00 0.00 H new ATOM 0 HB2 SER A 53 -13.209 -8.597 -6.522 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.972 -8.373 -4.801 1.00 0.00 H new ATOM 0 HG SER A 53 -15.086 -9.196 -5.297 1.00 0.00 H new ATOM 786 N PHE A 54 -14.149 -6.193 -3.696 1.00 0.00 N ATOM 787 CA PHE A 54 -14.862 -5.479 -2.651 1.00 0.00 C ATOM 788 C PHE A 54 -14.158 -4.165 -2.305 1.00 0.00 C ATOM 789 O PHE A 54 -14.736 -3.089 -2.455 1.00 0.00 O ATOM 790 CB PHE A 54 -14.868 -6.381 -1.416 1.00 0.00 C ATOM 791 CG PHE A 54 -15.436 -5.715 -0.160 1.00 0.00 C ATOM 792 CD1 PHE A 54 -16.310 -4.680 -0.276 1.00 0.00 C ATOM 793 CD2 PHE A 54 -15.065 -6.157 1.071 1.00 0.00 C ATOM 794 CE1 PHE A 54 -16.838 -4.062 0.888 1.00 0.00 C ATOM 795 CE2 PHE A 54 -15.592 -5.539 2.236 1.00 0.00 C ATOM 796 CZ PHE A 54 -16.467 -4.505 2.119 1.00 0.00 C ATOM 0 H PHE A 54 -13.787 -7.105 -3.419 1.00 0.00 H new ATOM 0 HA PHE A 54 -15.872 -5.242 -2.986 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.451 -7.276 -1.635 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.848 -6.707 -1.212 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -16.603 -4.328 -1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -14.369 -6.978 1.163 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.534 -3.241 0.796 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.298 -5.890 3.214 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.868 -4.035 3.005 1.00 0.00 H new ATOM 805 N MET A 55 -12.921 -4.296 -1.851 1.00 0.00 N ATOM 806 CA MET A 55 -12.132 -3.133 -1.483 1.00 0.00 C ATOM 807 C MET A 55 -13.001 -2.073 -0.803 1.00 0.00 C ATOM 808 O MET A 55 -13.610 -1.241 -1.475 1.00 0.00 O ATOM 809 CB MET A 55 -11.485 -2.538 -2.735 1.00 0.00 C ATOM 810 CG MET A 55 -11.687 -1.021 -2.788 1.00 0.00 C ATOM 811 SD MET A 55 -13.232 -0.640 -3.598 1.00 0.00 S ATOM 812 CE MET A 55 -13.333 -2.011 -4.736 1.00 0.00 C ATOM 0 H MET A 55 -12.445 -5.190 -1.729 1.00 0.00 H new ATOM 0 HA MET A 55 -11.361 -3.448 -0.780 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.419 -2.767 -2.742 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.916 -2.997 -3.625 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.685 -0.610 -1.779 1.00 0.00 H new ATOM 0 HG3 MET A 55 -10.861 -0.554 -3.324 1.00 0.00 H new ATOM 0 HE1 MET A 55 -13.695 -1.657 -5.701 1.00 0.00 H new ATOM 0 HE2 MET A 55 -12.345 -2.455 -4.860 1.00 0.00 H new ATOM 0 HE3 MET A 55 -14.020 -2.760 -4.343 1.00 0.00 H new ATOM 820 N ASP A 56 -13.031 -2.136 0.519 1.00 0.00 N ATOM 821 CA ASP A 56 -13.816 -1.193 1.297 1.00 0.00 C ATOM 822 C ASP A 56 -12.875 -0.224 2.016 1.00 0.00 C ATOM 823 O ASP A 56 -11.660 -0.419 2.017 1.00 0.00 O ATOM 824 CB ASP A 56 -14.653 -1.913 2.356 1.00 0.00 C ATOM 825 CG ASP A 56 -15.316 -0.999 3.388 1.00 0.00 C ATOM 826 OD1 ASP A 56 -14.902 -0.948 4.556 1.00 0.00 O ATOM 827 OD2 ASP A 56 -16.311 -0.309 2.945 1.00 0.00 O ATOM 0 H ASP A 56 -12.524 -2.826 1.072 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.479 -0.663 0.614 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.429 -2.491 1.853 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.015 -2.624 2.880 1.00 0.00 H new ATOM 832 N SER A 57 -13.471 0.799 2.610 1.00 0.00 N ATOM 833 CA SER A 57 -12.701 1.798 3.331 1.00 0.00 C ATOM 834 C SER A 57 -12.120 1.189 4.608 1.00 0.00 C ATOM 835 O SER A 57 -11.369 1.847 5.327 1.00 0.00 O ATOM 836 CB SER A 57 -13.562 3.018 3.669 1.00 0.00 C ATOM 837 OG SER A 57 -14.128 2.928 4.972 1.00 0.00 O ATOM 0 H SER A 57 -14.479 0.958 2.607 1.00 0.00 H new ATOM 0 HA SER A 57 -11.884 2.129 2.690 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.955 3.921 3.599 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.360 3.113 2.933 1.00 0.00 H new ATOM 0 HG SER A 57 -14.668 3.726 5.150 1.00 0.00 H new ATOM 842 N SER A 58 -12.489 -0.059 4.852 1.00 0.00 N ATOM 843 CA SER A 58 -12.012 -0.764 6.030 1.00 0.00 C ATOM 844 C SER A 58 -10.483 -0.747 6.067 1.00 0.00 C ATOM 845 O SER A 58 -9.887 -0.615 7.135 1.00 0.00 O ATOM 846 CB SER A 58 -12.528 -2.204 6.056 1.00 0.00 C ATOM 847 OG SER A 58 -13.937 -2.263 6.256 1.00 0.00 O ATOM 0 H SER A 58 -13.113 -0.601 4.254 1.00 0.00 H new ATOM 0 HA SER A 58 -12.396 -0.253 6.913 1.00 0.00 H new ATOM 0 HB2 SER A 58 -12.274 -2.697 5.118 1.00 0.00 H new ATOM 0 HB3 SER A 58 -12.026 -2.755 6.851 1.00 0.00 H new ATOM 0 HG SER A 58 -14.361 -1.489 5.829 1.00 0.00 H new ATOM 852 N GLY A 59 -9.893 -0.884 4.890 1.00 0.00 N ATOM 853 CA GLY A 59 -8.444 -0.886 4.773 1.00 0.00 C ATOM 854 C GLY A 59 -7.917 0.515 4.455 1.00 0.00 C ATOM 855 O GLY A 59 -6.712 0.755 4.506 1.00 0.00 O ATOM 0 H GLY A 59 -10.392 -0.995 4.007 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.001 -1.242 5.703 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.140 -1.579 3.989 1.00 0.00 H new ATOM 859 N LEU A 60 -8.847 1.402 4.131 1.00 0.00 N ATOM 860 CA LEU A 60 -8.491 2.772 3.803 1.00 0.00 C ATOM 861 C LEU A 60 -7.601 3.342 4.909 1.00 0.00 C ATOM 862 O LEU A 60 -6.586 3.978 4.628 1.00 0.00 O ATOM 863 CB LEU A 60 -9.748 3.602 3.536 1.00 0.00 C ATOM 864 CG LEU A 60 -9.787 4.350 2.201 1.00 0.00 C ATOM 865 CD1 LEU A 60 -8.972 5.642 2.272 1.00 0.00 C ATOM 866 CD2 LEU A 60 -9.331 3.446 1.054 1.00 0.00 C ATOM 0 H LEU A 60 -9.846 1.199 4.089 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.913 2.805 2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.613 2.941 3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.857 4.329 4.341 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.820 4.633 1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.017 6.154 1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.383 6.289 3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.935 5.405 2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.368 4.001 0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.310 3.112 1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.990 2.580 0.989 1.00 0.00 H new ATOM 877 N GLY A 61 -8.014 3.094 6.143 1.00 0.00 N ATOM 878 CA GLY A 61 -7.267 3.574 7.293 1.00 0.00 C ATOM 879 C GLY A 61 -6.059 2.680 7.576 1.00 0.00 C ATOM 880 O GLY A 61 -5.015 3.159 8.015 1.00 0.00 O ATOM 0 H GLY A 61 -8.857 2.567 6.372 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.933 4.596 7.113 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.917 3.600 8.168 1.00 0.00 H new ATOM 884 N VAL A 62 -6.241 1.393 7.312 1.00 0.00 N ATOM 885 CA VAL A 62 -5.180 0.427 7.532 1.00 0.00 C ATOM 886 C VAL A 62 -4.011 0.736 6.594 1.00 0.00 C ATOM 887 O VAL A 62 -2.872 0.364 6.870 1.00 0.00 O ATOM 888 CB VAL A 62 -5.721 -0.994 7.364 1.00 0.00 C ATOM 889 CG1 VAL A 62 -5.175 -1.642 6.091 1.00 0.00 C ATOM 890 CG2 VAL A 62 -5.408 -1.849 8.592 1.00 0.00 C ATOM 0 H VAL A 62 -7.108 0.998 6.948 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.806 0.499 8.553 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.805 -0.930 7.268 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.575 -2.651 5.996 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.473 -1.051 5.225 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.087 -1.687 6.143 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.804 -2.854 8.446 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.328 -1.901 8.734 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.868 -1.402 9.473 1.00 0.00 H new ATOM 900 N ILE A 63 -4.335 1.415 5.502 1.00 0.00 N ATOM 901 CA ILE A 63 -3.327 1.777 4.521 1.00 0.00 C ATOM 902 C ILE A 63 -2.806 3.183 4.827 1.00 0.00 C ATOM 903 O ILE A 63 -1.615 3.453 4.682 1.00 0.00 O ATOM 904 CB ILE A 63 -3.879 1.622 3.102 1.00 0.00 C ATOM 905 CG1 ILE A 63 -3.695 0.191 2.596 1.00 0.00 C ATOM 906 CG2 ILE A 63 -3.256 2.650 2.156 1.00 0.00 C ATOM 907 CD1 ILE A 63 -5.028 -0.406 2.140 1.00 0.00 C ATOM 0 H ILE A 63 -5.281 1.723 5.276 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.475 1.099 4.583 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.951 1.818 3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.987 0.183 1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.268 -0.426 3.387 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.665 2.518 1.154 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.483 3.655 2.511 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.175 2.510 2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.868 -1.424 1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.726 -0.419 2.977 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.441 0.199 1.333 1.00 0.00 H new ATOM 918 N LEU A 64 -3.724 4.041 5.244 1.00 0.00 N ATOM 919 CA LEU A 64 -3.373 5.413 5.573 1.00 0.00 C ATOM 920 C LEU A 64 -2.484 5.423 6.818 1.00 0.00 C ATOM 921 O LEU A 64 -1.431 6.060 6.829 1.00 0.00 O ATOM 922 CB LEU A 64 -4.632 6.271 5.711 1.00 0.00 C ATOM 923 CG LEU A 64 -4.562 7.669 5.092 1.00 0.00 C ATOM 924 CD1 LEU A 64 -5.608 7.833 3.987 1.00 0.00 C ATOM 925 CD2 LEU A 64 -4.690 8.750 6.166 1.00 0.00 C ATOM 0 H LEU A 64 -4.711 3.814 5.362 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.796 5.862 4.764 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.465 5.735 5.256 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.862 6.376 6.771 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.583 7.789 4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.537 8.835 3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.429 7.095 3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.604 7.685 4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.637 9.734 5.700 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.646 8.642 6.679 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.878 8.645 6.886 1.00 0.00 H new ATOM 936 N GLY A 65 -2.939 4.710 7.837 1.00 0.00 N ATOM 937 CA GLY A 65 -2.199 4.628 9.084 1.00 0.00 C ATOM 938 C GLY A 65 -0.788 4.083 8.849 1.00 0.00 C ATOM 939 O GLY A 65 0.122 4.347 9.634 1.00 0.00 O ATOM 0 H GLY A 65 -3.812 4.183 7.824 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.140 5.616 9.542 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.730 3.983 9.784 1.00 0.00 H new ATOM 943 N ARG A 66 -0.651 3.334 7.766 1.00 0.00 N ATOM 944 CA ARG A 66 0.633 2.750 7.418 1.00 0.00 C ATOM 945 C ARG A 66 1.505 3.777 6.693 1.00 0.00 C ATOM 946 O ARG A 66 2.731 3.741 6.797 1.00 0.00 O ATOM 947 CB ARG A 66 0.456 1.521 6.523 1.00 0.00 C ATOM 948 CG ARG A 66 1.000 0.264 7.205 1.00 0.00 C ATOM 949 CD ARG A 66 2.425 -0.041 6.736 1.00 0.00 C ATOM 950 NE ARG A 66 2.392 -0.973 5.588 1.00 0.00 N ATOM 951 CZ ARG A 66 2.499 -0.589 4.297 1.00 0.00 C ATOM 952 NH1 ARG A 66 2.645 0.715 3.980 1.00 0.00 N ATOM 953 NH2 ARG A 66 2.456 -1.508 3.351 1.00 0.00 N ATOM 0 H ARG A 66 -1.408 3.118 7.117 1.00 0.00 H new ATOM 0 HA ARG A 66 1.119 2.444 8.345 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.600 1.385 6.291 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.973 1.678 5.576 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.990 0.400 8.286 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.351 -0.584 6.984 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.928 0.883 6.450 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.000 -0.478 7.553 1.00 0.00 H new ATOM 0 HE ARG A 66 2.282 -1.968 5.783 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.675 1.419 4.718 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.725 0.996 3.003 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.343 -2.491 3.600 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.535 -1.235 2.371 1.00 0.00 H new ATOM 963 N TYR A 67 0.839 4.670 5.976 1.00 0.00 N ATOM 964 CA TYR A 67 1.538 5.706 5.234 1.00 0.00 C ATOM 965 C TYR A 67 2.324 6.620 6.177 1.00 0.00 C ATOM 966 O TYR A 67 3.464 6.982 5.890 1.00 0.00 O ATOM 967 CB TYR A 67 0.454 6.526 4.533 1.00 0.00 C ATOM 968 CG TYR A 67 0.863 7.047 3.153 1.00 0.00 C ATOM 969 CD1 TYR A 67 1.513 8.259 3.038 1.00 0.00 C ATOM 970 CD2 TYR A 67 0.580 6.306 2.025 1.00 0.00 C ATOM 971 CE1 TYR A 67 1.897 8.749 1.739 1.00 0.00 C ATOM 972 CE2 TYR A 67 0.964 6.795 0.726 1.00 0.00 C ATOM 973 CZ TYR A 67 1.604 7.993 0.648 1.00 0.00 C ATOM 974 OH TYR A 67 1.967 8.456 -0.579 1.00 0.00 O ATOM 0 H TYR A 67 -0.177 4.698 5.893 1.00 0.00 H new ATOM 0 HA TYR A 67 2.247 5.265 4.533 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.441 5.912 4.428 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.187 7.373 5.165 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.734 8.840 3.921 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.070 5.358 2.116 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.406 9.696 1.634 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.749 6.224 -0.165 1.00 0.00 H new ATOM 0 HH TYR A 67 2.794 8.014 -0.864 1.00 0.00 H new ATOM 983 N LYS A 68 1.682 6.968 7.283 1.00 0.00 N ATOM 984 CA LYS A 68 2.306 7.832 8.270 1.00 0.00 C ATOM 985 C LYS A 68 3.371 7.042 9.033 1.00 0.00 C ATOM 986 O LYS A 68 4.373 7.607 9.470 1.00 0.00 O ATOM 987 CB LYS A 68 1.246 8.468 9.172 1.00 0.00 C ATOM 988 CG LYS A 68 -0.062 8.690 8.409 1.00 0.00 C ATOM 989 CD LYS A 68 -1.107 7.642 8.798 1.00 0.00 C ATOM 990 CE LYS A 68 -1.635 7.893 10.212 1.00 0.00 C ATOM 991 NZ LYS A 68 -0.907 7.057 11.193 1.00 0.00 N ATOM 0 H LYS A 68 0.736 6.667 7.517 1.00 0.00 H new ATOM 0 HA LYS A 68 2.815 8.663 7.782 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.064 7.826 10.034 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.613 9.420 9.556 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.446 9.688 8.621 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.126 8.641 7.336 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.933 7.666 8.088 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.667 6.646 8.742 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.521 8.946 10.467 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.701 7.668 10.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.569 6.719 11.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.481 6.242 10.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.158 7.622 11.642 1.00 0.00 H new ATOM 1000 N GLN A 69 3.117 5.750 9.171 1.00 0.00 N ATOM 1001 CA GLN A 69 4.041 4.877 9.874 1.00 0.00 C ATOM 1002 C GLN A 69 5.241 4.545 8.984 1.00 0.00 C ATOM 1003 O GLN A 69 6.388 4.688 9.403 1.00 0.00 O ATOM 1004 CB GLN A 69 3.340 3.602 10.347 1.00 0.00 C ATOM 1005 CG GLN A 69 3.248 3.560 11.873 1.00 0.00 C ATOM 1006 CD GLN A 69 4.604 3.221 12.495 1.00 0.00 C ATOM 1007 OE1 GLN A 69 5.525 2.773 11.832 1.00 0.00 O ATOM 1008 NE2 GLN A 69 4.674 3.461 13.802 1.00 0.00 N ATOM 0 H GLN A 69 2.284 5.286 8.808 1.00 0.00 H new ATOM 0 HA GLN A 69 4.403 5.402 10.758 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.339 3.552 9.917 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.885 2.729 9.988 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.903 4.524 12.247 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.509 2.818 12.176 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.864 3.837 14.296 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.537 3.269 14.310 1.00 0.00 H new ATOM 1090 N GLY A 75 11.381 6.080 5.145 1.00 0.00 N ATOM 1091 CA GLY A 75 11.293 5.702 3.745 1.00 0.00 C ATOM 1092 C GLY A 75 10.083 6.357 3.076 1.00 0.00 C ATOM 1093 O GLY A 75 9.849 7.553 3.241 1.00 0.00 O ATOM 0 HA2 GLY A 75 12.205 5.999 3.226 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.217 4.618 3.661 1.00 0.00 H new ATOM 1097 N GLU A 76 9.345 5.544 2.334 1.00 0.00 N ATOM 1098 CA GLU A 76 8.164 6.029 1.639 1.00 0.00 C ATOM 1099 C GLU A 76 7.200 4.875 1.360 1.00 0.00 C ATOM 1100 O GLU A 76 7.608 3.715 1.325 1.00 0.00 O ATOM 1101 CB GLU A 76 8.548 6.747 0.343 1.00 0.00 C ATOM 1102 CG GLU A 76 10.062 6.951 0.257 1.00 0.00 C ATOM 1103 CD GLU A 76 10.474 8.281 0.890 1.00 0.00 C ATOM 1104 OE1 GLU A 76 9.737 9.273 0.784 1.00 0.00 O ATOM 1105 OE2 GLU A 76 11.604 8.262 1.513 1.00 0.00 O ATOM 0 H GLU A 76 9.542 4.552 2.199 1.00 0.00 H new ATOM 0 HA GLU A 76 7.659 6.751 2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.207 6.166 -0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.044 7.712 0.295 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.572 6.131 0.762 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.377 6.928 -0.786 1.00 0.00 H new ATOM 1111 N MET A 77 5.939 5.233 1.169 1.00 0.00 N ATOM 1112 CA MET A 77 4.912 4.241 0.896 1.00 0.00 C ATOM 1113 C MET A 77 4.210 4.531 -0.432 1.00 0.00 C ATOM 1114 O MET A 77 3.795 5.660 -0.686 1.00 0.00 O ATOM 1115 CB MET A 77 3.883 4.246 2.028 1.00 0.00 C ATOM 1116 CG MET A 77 2.491 3.891 1.505 1.00 0.00 C ATOM 1117 SD MET A 77 1.478 3.266 2.835 1.00 0.00 S ATOM 1118 CE MET A 77 0.509 2.058 1.947 1.00 0.00 C ATOM 0 H MET A 77 5.605 6.196 1.198 1.00 0.00 H new ATOM 0 HA MET A 77 5.387 3.262 0.829 1.00 0.00 H new ATOM 0 HB2 MET A 77 4.179 3.532 2.797 1.00 0.00 H new ATOM 0 HB3 MET A 77 3.859 5.229 2.498 1.00 0.00 H new ATOM 0 HG2 MET A 77 2.024 4.772 1.065 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.570 3.144 0.715 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.157 1.545 2.641 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.082 2.558 1.180 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.173 1.332 1.478 1.00 0.00 H new ATOM 1126 N VAL A 78 4.101 3.492 -1.246 1.00 0.00 N ATOM 1127 CA VAL A 78 3.457 3.620 -2.542 1.00 0.00 C ATOM 1128 C VAL A 78 2.350 2.571 -2.663 1.00 0.00 C ATOM 1129 O VAL A 78 2.432 1.504 -2.056 1.00 0.00 O ATOM 1130 CB VAL A 78 4.500 3.520 -3.657 1.00 0.00 C ATOM 1131 CG1 VAL A 78 3.828 3.443 -5.030 1.00 0.00 C ATOM 1132 CG2 VAL A 78 5.484 4.689 -3.593 1.00 0.00 C ATOM 0 H VAL A 78 4.448 2.557 -1.033 1.00 0.00 H new ATOM 0 HA VAL A 78 2.989 4.599 -2.640 1.00 0.00 H new ATOM 0 HB VAL A 78 5.064 2.599 -3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.591 3.373 -5.805 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.186 2.563 -5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.228 4.338 -5.192 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.215 4.594 -4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.942 5.628 -3.705 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.998 4.680 -2.632 1.00 0.00 H new ATOM 1142 N VAL A 79 1.341 2.909 -3.451 1.00 0.00 N ATOM 1143 CA VAL A 79 0.219 2.009 -3.661 1.00 0.00 C ATOM 1144 C VAL A 79 -0.365 2.244 -5.055 1.00 0.00 C ATOM 1145 O VAL A 79 -0.603 3.385 -5.448 1.00 0.00 O ATOM 1146 CB VAL A 79 -0.810 2.189 -2.543 1.00 0.00 C ATOM 1147 CG1 VAL A 79 -1.341 3.624 -2.511 1.00 0.00 C ATOM 1148 CG2 VAL A 79 -1.956 1.184 -2.685 1.00 0.00 C ATOM 0 H VAL A 79 1.276 3.795 -3.953 1.00 0.00 H new ATOM 0 HA VAL A 79 0.548 0.971 -3.619 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.310 1.996 -1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.070 3.724 -1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.515 4.314 -2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.816 3.857 -3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.673 1.334 -1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.453 1.332 -3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.559 0.170 -2.634 1.00 0.00 H new ATOM 1158 N CYS A 80 -0.579 1.146 -5.764 1.00 0.00 N ATOM 1159 CA CYS A 80 -1.131 1.217 -7.107 1.00 0.00 C ATOM 1160 C CYS A 80 -2.177 0.110 -7.256 1.00 0.00 C ATOM 1161 O CYS A 80 -2.565 -0.519 -6.272 1.00 0.00 O ATOM 1162 CB CYS A 80 -0.039 1.118 -8.173 1.00 0.00 C ATOM 1163 SG CYS A 80 0.740 -0.536 -8.119 1.00 0.00 S ATOM 0 H CYS A 80 -0.380 0.201 -5.434 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.606 2.186 -7.257 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.466 1.296 -9.160 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.713 1.889 -8.007 1.00 0.00 H new ATOM 0 HG CYS A 80 1.023 -0.843 -6.888 1.00 0.00 H new ATOM 1168 N ALA A 81 -2.603 -0.094 -8.493 1.00 0.00 N ATOM 1169 CA ALA A 81 -3.596 -1.114 -8.785 1.00 0.00 C ATOM 1170 C ALA A 81 -4.979 -0.604 -8.374 1.00 0.00 C ATOM 1171 O ALA A 81 -5.855 -1.393 -8.019 1.00 0.00 O ATOM 1172 CB ALA A 81 -3.218 -2.413 -8.071 1.00 0.00 C ATOM 0 H ALA A 81 -2.279 0.430 -9.306 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.626 -1.326 -9.854 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.963 -3.178 -8.290 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.241 -2.748 -8.418 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.181 -2.240 -6.996 1.00 0.00 H new ATOM 1178 N ILE A 82 -5.134 0.710 -8.435 1.00 0.00 N ATOM 1179 CA ILE A 82 -6.395 1.333 -8.073 1.00 0.00 C ATOM 1180 C ILE A 82 -7.464 0.941 -9.096 1.00 0.00 C ATOM 1181 O ILE A 82 -7.411 -0.146 -9.667 1.00 0.00 O ATOM 1182 CB ILE A 82 -6.221 2.845 -7.916 1.00 0.00 C ATOM 1183 CG1 ILE A 82 -7.183 3.403 -6.867 1.00 0.00 C ATOM 1184 CG2 ILE A 82 -6.365 3.557 -9.263 1.00 0.00 C ATOM 1185 CD1 ILE A 82 -6.681 3.109 -5.451 1.00 0.00 C ATOM 0 H ILE A 82 -4.406 1.361 -8.730 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.733 0.972 -7.102 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.209 3.036 -7.558 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.290 4.479 -7.003 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -8.171 2.964 -7.005 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.237 4.630 -9.123 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.606 3.188 -9.953 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.355 3.360 -9.674 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.383 3.517 -4.724 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.598 2.031 -5.311 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.703 3.570 -5.309 1.00 0.00 H new ATOM 1196 N SER A 83 -8.409 1.848 -9.294 1.00 0.00 N ATOM 1197 CA SER A 83 -9.489 1.610 -10.236 1.00 0.00 C ATOM 1198 C SER A 83 -10.421 2.822 -10.282 1.00 0.00 C ATOM 1199 O SER A 83 -10.312 3.725 -9.452 1.00 0.00 O ATOM 1200 CB SER A 83 -10.274 0.350 -9.869 1.00 0.00 C ATOM 1201 OG SER A 83 -10.163 -0.660 -10.868 1.00 0.00 O ATOM 0 H SER A 83 -8.449 2.749 -8.818 1.00 0.00 H new ATOM 0 HA SER A 83 -9.053 1.458 -11.223 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.910 -0.039 -8.918 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.324 0.606 -9.728 1.00 0.00 H new ATOM 0 HG SER A 83 -9.233 -0.963 -10.925 1.00 0.00 H new ATOM 1206 N PRO A 84 -11.340 2.805 -11.284 1.00 0.00 N ATOM 1207 CA PRO A 84 -12.290 3.891 -11.448 1.00 0.00 C ATOM 1208 C PRO A 84 -13.393 3.820 -10.390 1.00 0.00 C ATOM 1209 O PRO A 84 -14.180 4.753 -10.243 1.00 0.00 O ATOM 1210 CB PRO A 84 -12.817 3.742 -12.866 1.00 0.00 C ATOM 1211 CG PRO A 84 -12.496 2.316 -13.282 1.00 0.00 C ATOM 1212 CD PRO A 84 -11.497 1.753 -12.285 1.00 0.00 C ATOM 0 HA PRO A 84 -11.836 4.872 -11.307 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.890 3.928 -12.905 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.344 4.460 -13.536 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -13.402 1.710 -13.298 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -12.082 2.297 -14.290 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -11.863 0.830 -11.835 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -10.547 1.518 -12.765 1.00 0.00 H new ATOM 1217 N ALA A 85 -13.414 2.701 -9.679 1.00 0.00 N ATOM 1218 CA ALA A 85 -14.408 2.495 -8.639 1.00 0.00 C ATOM 1219 C ALA A 85 -13.701 2.142 -7.328 1.00 0.00 C ATOM 1220 O ALA A 85 -14.245 1.407 -6.504 1.00 0.00 O ATOM 1221 CB ALA A 85 -15.393 1.411 -9.080 1.00 0.00 C ATOM 0 H ALA A 85 -12.759 1.929 -9.803 1.00 0.00 H new ATOM 0 HA ALA A 85 -14.982 3.406 -8.470 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -16.138 1.257 -8.299 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -15.889 1.722 -9.999 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.854 0.480 -9.256 1.00 0.00 H new ATOM 1227 N VAL A 86 -12.502 2.683 -7.175 1.00 0.00 N ATOM 1228 CA VAL A 86 -11.715 2.433 -5.979 1.00 0.00 C ATOM 1229 C VAL A 86 -10.945 3.702 -5.607 1.00 0.00 C ATOM 1230 O VAL A 86 -10.784 4.011 -4.427 1.00 0.00 O ATOM 1231 CB VAL A 86 -10.805 1.223 -6.194 1.00 0.00 C ATOM 1232 CG1 VAL A 86 -9.613 1.256 -5.234 1.00 0.00 C ATOM 1233 CG2 VAL A 86 -11.587 -0.084 -6.051 1.00 0.00 C ATOM 0 H VAL A 86 -12.056 3.294 -7.859 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.364 2.188 -5.139 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.418 1.272 -7.212 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.982 0.385 -5.408 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.034 2.163 -5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.974 1.243 -4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -10.916 -0.929 -6.209 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -12.016 -0.144 -5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -12.386 -0.113 -6.791 1.00 0.00 H new ATOM 1243 N LYS A 87 -10.490 4.403 -6.635 1.00 0.00 N ATOM 1244 CA LYS A 87 -9.741 5.631 -6.431 1.00 0.00 C ATOM 1245 C LYS A 87 -10.703 6.747 -6.015 1.00 0.00 C ATOM 1246 O LYS A 87 -10.271 7.831 -5.627 1.00 0.00 O ATOM 1247 CB LYS A 87 -8.911 5.965 -7.672 1.00 0.00 C ATOM 1248 CG LYS A 87 -9.617 7.009 -8.539 1.00 0.00 C ATOM 1249 CD LYS A 87 -8.771 7.369 -9.762 1.00 0.00 C ATOM 1250 CE LYS A 87 -8.894 8.857 -10.096 1.00 0.00 C ATOM 1251 NZ LYS A 87 -10.037 9.090 -11.007 1.00 0.00 N ATOM 0 H LYS A 87 -10.626 4.144 -7.612 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.023 5.509 -5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.933 6.339 -7.370 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.740 5.059 -8.254 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.584 6.625 -8.862 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.811 7.905 -7.950 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.727 7.121 -9.572 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.090 6.773 -10.617 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.028 9.432 -9.180 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.973 9.209 -10.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.107 10.105 -11.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.893 8.557 -11.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.916 8.773 -10.550 1.00 0.00 H new ATOM 1260 N ARG A 88 -11.989 6.442 -6.112 1.00 0.00 N ATOM 1261 CA ARG A 88 -13.015 7.406 -5.751 1.00 0.00 C ATOM 1262 C ARG A 88 -13.106 7.539 -4.230 1.00 0.00 C ATOM 1263 O ARG A 88 -13.669 8.508 -3.721 1.00 0.00 O ATOM 1264 CB ARG A 88 -14.379 6.990 -6.303 1.00 0.00 C ATOM 1265 CG ARG A 88 -14.489 5.466 -6.402 1.00 0.00 C ATOM 1266 CD ARG A 88 -14.147 4.804 -5.067 1.00 0.00 C ATOM 1267 NE ARG A 88 -14.957 3.577 -4.888 1.00 0.00 N ATOM 1268 CZ ARG A 88 -16.294 3.573 -4.703 1.00 0.00 C ATOM 1269 NH1 ARG A 88 -16.985 4.733 -4.671 1.00 0.00 N ATOM 1270 NH2 ARG A 88 -16.916 2.418 -4.554 1.00 0.00 N ATOM 0 H ARG A 88 -12.344 5.542 -6.435 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.737 8.366 -6.187 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.169 7.374 -5.658 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.528 7.434 -7.287 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.500 5.189 -6.701 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -13.816 5.099 -7.177 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.086 4.557 -5.035 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.337 5.498 -4.248 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.474 2.679 -4.906 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -16.497 5.621 -4.787 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.995 4.721 -4.531 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -16.386 1.547 -4.580 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.926 2.397 -4.413 1.00 0.00 H new ATOM 1280 N LEU A 89 -12.546 6.552 -3.546 1.00 0.00 N ATOM 1281 CA LEU A 89 -12.557 6.547 -2.094 1.00 0.00 C ATOM 1282 C LEU A 89 -11.621 7.641 -1.577 1.00 0.00 C ATOM 1283 O LEU A 89 -11.976 8.385 -0.663 1.00 0.00 O ATOM 1284 CB LEU A 89 -12.226 5.152 -1.559 1.00 0.00 C ATOM 1285 CG LEU A 89 -13.422 4.279 -1.176 1.00 0.00 C ATOM 1286 CD1 LEU A 89 -12.992 2.829 -0.946 1.00 0.00 C ATOM 1287 CD2 LEU A 89 -14.157 4.857 0.035 1.00 0.00 C ATOM 0 H LEU A 89 -12.081 5.750 -3.971 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.555 6.777 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.643 4.624 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.587 5.263 -0.683 1.00 0.00 H new ATOM 0 HG LEU A 89 -14.124 4.278 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.862 2.230 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.548 2.432 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.259 2.790 -0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.003 4.217 0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.475 4.908 0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.517 5.858 -0.202 1.00 0.00 H new ATOM 1298 N PHE A 90 -10.446 7.706 -2.183 1.00 0.00 N ATOM 1299 CA PHE A 90 -9.457 8.697 -1.796 1.00 0.00 C ATOM 1300 C PHE A 90 -9.699 10.025 -2.517 1.00 0.00 C ATOM 1301 O PHE A 90 -9.256 11.076 -2.056 1.00 0.00 O ATOM 1302 CB PHE A 90 -8.090 8.149 -2.209 1.00 0.00 C ATOM 1303 CG PHE A 90 -7.849 6.697 -1.791 1.00 0.00 C ATOM 1304 CD1 PHE A 90 -8.242 5.681 -2.606 1.00 0.00 C ATOM 1305 CD2 PHE A 90 -7.243 6.422 -0.606 1.00 0.00 C ATOM 1306 CE1 PHE A 90 -8.019 4.334 -2.218 1.00 0.00 C ATOM 1307 CE2 PHE A 90 -7.019 5.074 -0.218 1.00 0.00 C ATOM 1308 CZ PHE A 90 -7.412 4.059 -1.032 1.00 0.00 C ATOM 0 H PHE A 90 -10.156 7.088 -2.941 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.515 8.881 -0.723 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -7.991 8.226 -3.292 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.312 8.776 -1.773 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.723 5.899 -3.548 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.932 7.229 0.041 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.331 3.527 -2.864 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.537 4.856 0.723 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.242 3.034 -0.737 1.00 0.00 H new ATOM 1317 N ASP A 91 -10.403 9.934 -3.635 1.00 0.00 N ATOM 1318 CA ASP A 91 -10.710 11.115 -4.424 1.00 0.00 C ATOM 1319 C ASP A 91 -11.721 11.979 -3.669 1.00 0.00 C ATOM 1320 O ASP A 91 -11.679 13.206 -3.752 1.00 0.00 O ATOM 1321 CB ASP A 91 -11.329 10.732 -5.770 1.00 0.00 C ATOM 1322 CG ASP A 91 -10.594 11.276 -6.998 1.00 0.00 C ATOM 1323 OD1 ASP A 91 -9.496 10.814 -7.341 1.00 0.00 O ATOM 1324 OD2 ASP A 91 -11.204 12.227 -7.621 1.00 0.00 O ATOM 0 H ASP A 91 -10.770 9.061 -4.014 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.780 11.657 -4.595 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.366 9.645 -5.840 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.359 11.089 -5.794 1.00 0.00 H new ATOM 1329 N MET A 92 -12.606 11.306 -2.947 1.00 0.00 N ATOM 1330 CA MET A 92 -13.625 11.998 -2.177 1.00 0.00 C ATOM 1331 C MET A 92 -13.133 12.297 -0.760 1.00 0.00 C ATOM 1332 O MET A 92 -13.588 13.250 -0.129 1.00 0.00 O ATOM 1333 CB MET A 92 -14.886 11.133 -2.107 1.00 0.00 C ATOM 1334 CG MET A 92 -15.997 11.847 -1.334 1.00 0.00 C ATOM 1335 SD MET A 92 -16.680 10.753 -0.099 1.00 0.00 S ATOM 1336 CE MET A 92 -15.747 11.278 1.329 1.00 0.00 C ATOM 0 H MET A 92 -12.638 10.289 -2.879 1.00 0.00 H new ATOM 0 HA MET A 92 -13.848 12.944 -2.671 1.00 0.00 H new ATOM 0 HB2 MET A 92 -15.230 10.902 -3.115 1.00 0.00 H new ATOM 0 HB3 MET A 92 -14.654 10.184 -1.624 1.00 0.00 H new ATOM 0 HG2 MET A 92 -15.602 12.745 -0.858 1.00 0.00 H new ATOM 0 HG3 MET A 92 -16.780 12.169 -2.020 1.00 0.00 H new ATOM 0 HE1 MET A 92 -16.168 10.824 2.226 1.00 0.00 H new ATOM 0 HE2 MET A 92 -14.708 10.967 1.219 1.00 0.00 H new ATOM 0 HE3 MET A 92 -15.794 12.364 1.415 1.00 0.00 H new ATOM 1344 N SER A 93 -12.208 11.466 -0.301 1.00 0.00 N ATOM 1345 CA SER A 93 -11.649 11.630 1.030 1.00 0.00 C ATOM 1346 C SER A 93 -10.832 12.921 1.099 1.00 0.00 C ATOM 1347 O SER A 93 -10.766 13.564 2.146 1.00 0.00 O ATOM 1348 CB SER A 93 -10.779 10.430 1.414 1.00 0.00 C ATOM 1349 OG SER A 93 -10.585 10.341 2.823 1.00 0.00 O ATOM 0 H SER A 93 -11.832 10.677 -0.827 1.00 0.00 H new ATOM 0 HA SER A 93 -12.472 11.690 1.742 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.246 9.513 1.054 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.811 10.511 0.919 1.00 0.00 H new ATOM 0 HG SER A 93 -10.026 9.562 3.028 1.00 0.00 H new ATOM 1354 N GLY A 94 -10.229 13.262 -0.030 1.00 0.00 N ATOM 1355 CA GLY A 94 -9.418 14.466 -0.112 1.00 0.00 C ATOM 1356 C GLY A 94 -8.093 14.287 0.633 1.00 0.00 C ATOM 1357 O GLY A 94 -7.429 15.265 0.970 1.00 0.00 O ATOM 0 H GLY A 94 -10.285 12.726 -0.896 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.222 14.706 -1.157 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.966 15.308 0.311 1.00 0.00 H new ATOM 1361 N LEU A 95 -7.750 13.028 0.867 1.00 0.00 N ATOM 1362 CA LEU A 95 -6.516 12.708 1.565 1.00 0.00 C ATOM 1363 C LEU A 95 -5.662 11.792 0.687 1.00 0.00 C ATOM 1364 O LEU A 95 -4.649 11.259 1.140 1.00 0.00 O ATOM 1365 CB LEU A 95 -6.819 12.127 2.947 1.00 0.00 C ATOM 1366 CG LEU A 95 -5.741 12.338 4.014 1.00 0.00 C ATOM 1367 CD1 LEU A 95 -5.125 13.734 3.902 1.00 0.00 C ATOM 1368 CD2 LEU A 95 -6.295 12.066 5.414 1.00 0.00 C ATOM 0 H LEU A 95 -8.304 12.219 0.586 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.934 13.612 1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.750 12.565 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.991 11.056 2.839 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.941 11.618 3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.363 13.858 4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.671 13.854 2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.902 14.486 4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.509 12.223 6.153 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.124 12.745 5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.647 11.036 5.472 1.00 0.00 H new ATOM 1379 N PHE A 96 -6.099 11.637 -0.554 1.00 0.00 N ATOM 1380 CA PHE A 96 -5.387 10.794 -1.500 1.00 0.00 C ATOM 1381 C PHE A 96 -3.897 11.135 -1.523 1.00 0.00 C ATOM 1382 O PHE A 96 -3.058 10.256 -1.721 1.00 0.00 O ATOM 1383 CB PHE A 96 -5.983 11.071 -2.881 1.00 0.00 C ATOM 1384 CG PHE A 96 -6.285 9.810 -3.693 1.00 0.00 C ATOM 1385 CD1 PHE A 96 -5.679 8.635 -3.375 1.00 0.00 C ATOM 1386 CD2 PHE A 96 -7.162 9.863 -4.733 1.00 0.00 C ATOM 1387 CE1 PHE A 96 -5.959 7.465 -4.129 1.00 0.00 C ATOM 1388 CE2 PHE A 96 -7.442 8.693 -5.485 1.00 0.00 C ATOM 1389 CZ PHE A 96 -6.835 7.517 -5.167 1.00 0.00 C ATOM 0 H PHE A 96 -6.938 12.081 -0.927 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.488 9.747 -1.216 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.904 11.642 -2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.291 11.697 -3.445 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -4.985 8.592 -2.549 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.645 10.796 -4.986 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.475 6.533 -3.878 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.137 8.736 -6.310 1.00 0.00 H new ATOM 0 HZ PHE A 96 -7.049 6.626 -5.739 1.00 0.00 H new ATOM 1398 N LYS A 97 -3.611 12.412 -1.317 1.00 0.00 N ATOM 1399 CA LYS A 97 -2.234 12.880 -1.311 1.00 0.00 C ATOM 1400 C LYS A 97 -1.473 12.195 -0.174 1.00 0.00 C ATOM 1401 O LYS A 97 -0.248 12.087 -0.221 1.00 0.00 O ATOM 1402 CB LYS A 97 -2.188 14.407 -1.251 1.00 0.00 C ATOM 1403 CG LYS A 97 -3.192 15.026 -2.225 1.00 0.00 C ATOM 1404 CD LYS A 97 -2.484 15.904 -3.259 1.00 0.00 C ATOM 1405 CE LYS A 97 -3.482 16.481 -4.265 1.00 0.00 C ATOM 1406 NZ LYS A 97 -2.970 17.746 -4.837 1.00 0.00 N ATOM 0 H LYS A 97 -4.309 13.138 -1.153 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.733 12.606 -2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.407 14.741 -0.237 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.183 14.754 -1.491 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.746 14.236 -2.732 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.919 15.622 -1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.961 16.716 -2.754 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.731 15.317 -3.785 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.660 15.760 -5.063 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.440 16.658 -3.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.660 18.124 -5.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.822 18.437 -4.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.067 17.568 -5.322 1.00 0.00 H new ATOM 1415 N ILE A 98 -2.228 11.752 0.819 1.00 0.00 N ATOM 1416 CA ILE A 98 -1.640 11.082 1.966 1.00 0.00 C ATOM 1417 C ILE A 98 -1.413 9.607 1.628 1.00 0.00 C ATOM 1418 O ILE A 98 -0.751 8.890 2.376 1.00 0.00 O ATOM 1419 CB ILE A 98 -2.498 11.301 3.214 1.00 0.00 C ATOM 1420 CG1 ILE A 98 -1.655 11.845 4.369 1.00 0.00 C ATOM 1421 CG2 ILE A 98 -3.243 10.021 3.599 1.00 0.00 C ATOM 1422 CD1 ILE A 98 -1.527 10.809 5.488 1.00 0.00 C ATOM 0 H ILE A 98 -3.243 11.844 0.853 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.665 11.511 2.199 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.252 12.054 2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -0.664 12.117 4.005 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.111 12.754 4.760 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -3.845 10.204 4.489 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.892 9.717 2.778 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.523 9.229 3.805 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.923 11.220 6.297 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.518 10.558 5.866 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.049 9.910 5.099 1.00 0.00 H new ATOM 1433 N ILE A 99 -1.976 9.198 0.500 1.00 0.00 N ATOM 1434 CA ILE A 99 -1.842 7.822 0.054 1.00 0.00 C ATOM 1435 C ILE A 99 -1.076 7.791 -1.270 1.00 0.00 C ATOM 1436 O ILE A 99 -0.615 6.734 -1.701 1.00 0.00 O ATOM 1437 CB ILE A 99 -3.213 7.146 -0.014 1.00 0.00 C ATOM 1438 CG1 ILE A 99 -3.865 7.088 1.369 1.00 0.00 C ATOM 1439 CG2 ILE A 99 -3.111 5.761 -0.657 1.00 0.00 C ATOM 1440 CD1 ILE A 99 -2.988 6.317 2.357 1.00 0.00 C ATOM 0 H ILE A 99 -2.526 9.795 -0.118 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.261 7.244 0.772 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.860 7.750 -0.651 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.032 8.100 1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.842 6.610 1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.099 5.303 -0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.719 5.858 -1.669 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.442 5.134 -0.067 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.475 6.291 3.332 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.843 5.299 1.997 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.021 6.811 2.448 1.00 0.00 H new ATOM 1451 N ARG A 100 -0.962 8.963 -1.879 1.00 0.00 N ATOM 1452 CA ARG A 100 -0.259 9.083 -3.145 1.00 0.00 C ATOM 1453 C ARG A 100 -0.435 7.809 -3.974 1.00 0.00 C ATOM 1454 O ARG A 100 0.406 6.913 -3.927 1.00 0.00 O ATOM 1455 CB ARG A 100 1.233 9.337 -2.924 1.00 0.00 C ATOM 1456 CG ARG A 100 1.855 10.036 -4.136 1.00 0.00 C ATOM 1457 CD ARG A 100 3.331 9.660 -4.286 1.00 0.00 C ATOM 1458 NE ARG A 100 4.187 10.777 -3.825 1.00 0.00 N ATOM 1459 CZ ARG A 100 5.509 10.871 -4.079 1.00 0.00 C ATOM 1460 NH1 ARG A 100 6.140 9.913 -4.793 1.00 0.00 N ATOM 1461 NH2 ARG A 100 6.177 11.912 -3.618 1.00 0.00 N ATOM 0 H ARG A 100 -1.345 9.837 -1.519 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.685 9.931 -3.681 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.373 9.950 -2.034 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.744 8.391 -2.743 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.311 9.759 -5.039 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.760 11.116 -4.026 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.547 8.762 -3.707 1.00 0.00 H new ATOM 0 HD3 ARG A 100 3.552 9.428 -5.328 1.00 0.00 H new ATOM 0 HE ARG A 100 3.750 11.522 -3.282 1.00 0.00 H new ATOM 0 HH11 ARG A 100 5.617 9.111 -5.145 1.00 0.00 H new ATOM 0 HH12 ARG A 100 7.140 9.992 -4.981 1.00 0.00 H new ATOM 0 HH21 ARG A 100 5.693 12.630 -3.079 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.177 11.998 -3.801 1.00 0.00 H new ATOM 1471 N PHE A 101 -1.535 7.769 -4.712 1.00 0.00 N ATOM 1472 CA PHE A 101 -1.833 6.620 -5.549 1.00 0.00 C ATOM 1473 C PHE A 101 -1.562 6.930 -7.023 1.00 0.00 C ATOM 1474 O PHE A 101 -1.257 8.068 -7.375 1.00 0.00 O ATOM 1475 CB PHE A 101 -3.320 6.309 -5.372 1.00 0.00 C ATOM 1476 CG PHE A 101 -3.616 4.843 -5.050 1.00 0.00 C ATOM 1477 CD1 PHE A 101 -3.666 3.924 -6.052 1.00 0.00 C ATOM 1478 CD2 PHE A 101 -3.829 4.457 -3.763 1.00 0.00 C ATOM 1479 CE1 PHE A 101 -3.941 2.564 -5.755 1.00 0.00 C ATOM 1480 CE2 PHE A 101 -4.104 3.097 -3.467 1.00 0.00 C ATOM 1481 CZ PHE A 101 -4.153 2.178 -4.468 1.00 0.00 C ATOM 0 H PHE A 101 -2.231 8.514 -4.747 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.204 5.778 -5.260 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.718 6.933 -4.572 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.849 6.584 -6.285 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.496 4.230 -7.074 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.789 5.186 -2.967 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.982 1.835 -6.551 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -4.275 2.791 -2.445 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.360 1.143 -4.241 1.00 0.00 H new ATOM 1490 N GLU A 102 -1.682 5.897 -7.844 1.00 0.00 N ATOM 1491 CA GLU A 102 -1.453 6.045 -9.271 1.00 0.00 C ATOM 1492 C GLU A 102 -2.323 5.059 -10.054 1.00 0.00 C ATOM 1493 O GLU A 102 -3.440 4.750 -9.641 1.00 0.00 O ATOM 1494 CB GLU A 102 0.027 5.860 -9.611 1.00 0.00 C ATOM 1495 CG GLU A 102 0.489 6.899 -10.633 1.00 0.00 C ATOM 1496 CD GLU A 102 1.001 6.227 -11.909 1.00 0.00 C ATOM 1497 OE1 GLU A 102 0.316 5.356 -12.467 1.00 0.00 O ATOM 1498 OE2 GLU A 102 2.152 6.637 -12.318 1.00 0.00 O ATOM 0 H GLU A 102 -1.935 4.954 -7.548 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.735 7.057 -9.561 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.626 5.946 -8.704 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.190 4.858 -10.007 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.337 7.567 -10.876 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.278 7.514 -10.200 1.00 0.00 H new ATOM 1504 N GLN A 103 -1.778 4.593 -11.167 1.00 0.00 N ATOM 1505 CA GLN A 103 -2.491 3.649 -12.011 1.00 0.00 C ATOM 1506 C GLN A 103 -1.502 2.816 -12.830 1.00 0.00 C ATOM 1507 O GLN A 103 -1.067 3.239 -13.900 1.00 0.00 O ATOM 1508 CB GLN A 103 -3.487 4.370 -12.921 1.00 0.00 C ATOM 1509 CG GLN A 103 -4.529 5.131 -12.101 1.00 0.00 C ATOM 1510 CD GLN A 103 -5.540 5.832 -13.011 1.00 0.00 C ATOM 1511 OE1 GLN A 103 -5.266 6.860 -13.609 1.00 0.00 O ATOM 1512 NE2 GLN A 103 -6.718 5.222 -13.082 1.00 0.00 N ATOM 0 H GLN A 103 -0.851 4.851 -11.505 1.00 0.00 H new ATOM 0 HA GLN A 103 -3.059 2.975 -11.369 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.954 5.063 -13.572 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.985 3.646 -13.566 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -5.050 4.440 -11.438 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -4.032 5.867 -11.469 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -6.881 4.364 -12.555 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -7.460 5.612 -13.663 1.00 0.00 H new ATOM 1519 N SER A 104 -1.176 1.650 -12.295 1.00 0.00 N ATOM 1520 CA SER A 104 -0.246 0.754 -12.963 1.00 0.00 C ATOM 1521 C SER A 104 1.005 1.524 -13.391 1.00 0.00 C ATOM 1522 O SER A 104 2.104 1.247 -12.910 1.00 0.00 O ATOM 1523 CB SER A 104 -0.898 0.086 -14.174 1.00 0.00 C ATOM 1524 OG SER A 104 0.046 -0.641 -14.956 1.00 0.00 O ATOM 0 H SER A 104 -1.539 1.304 -11.407 1.00 0.00 H new ATOM 0 HA SER A 104 0.039 -0.029 -12.261 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.685 -0.589 -13.836 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.374 0.845 -14.794 1.00 0.00 H new ATOM 0 HG SER A 104 -0.410 -1.054 -15.719 1.00 0.00 H new ATOM 1529 N GLU A 105 0.798 2.476 -14.289 1.00 0.00 N ATOM 1530 CA GLU A 105 1.895 3.287 -14.787 1.00 0.00 C ATOM 1531 C GLU A 105 2.921 3.530 -13.679 1.00 0.00 C ATOM 1532 O GLU A 105 4.116 3.642 -13.947 1.00 0.00 O ATOM 1533 CB GLU A 105 1.382 4.610 -15.360 1.00 0.00 C ATOM 1534 CG GLU A 105 2.543 5.491 -15.828 1.00 0.00 C ATOM 1535 CD GLU A 105 2.365 5.903 -17.290 1.00 0.00 C ATOM 1536 OE1 GLU A 105 1.628 5.240 -18.035 1.00 0.00 O ATOM 1537 OE2 GLU A 105 3.022 6.954 -17.644 1.00 0.00 O ATOM 0 H GLU A 105 -0.114 2.704 -14.685 1.00 0.00 H new ATOM 0 HA GLU A 105 2.385 2.744 -15.596 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.711 4.413 -16.196 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.802 5.138 -14.603 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.605 6.380 -15.201 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.483 4.952 -15.710 1.00 0.00 H new ATOM 1543 N GLN A 106 2.417 3.606 -12.456 1.00 0.00 N ATOM 1544 CA GLN A 106 3.275 3.834 -11.305 1.00 0.00 C ATOM 1545 C GLN A 106 4.227 2.653 -11.111 1.00 0.00 C ATOM 1546 O GLN A 106 5.150 2.722 -10.301 1.00 0.00 O ATOM 1547 CB GLN A 106 2.445 4.083 -10.044 1.00 0.00 C ATOM 1548 CG GLN A 106 3.258 3.778 -8.784 1.00 0.00 C ATOM 1549 CD GLN A 106 2.751 4.594 -7.593 1.00 0.00 C ATOM 1550 OE1 GLN A 106 3.476 5.360 -6.979 1.00 0.00 O ATOM 1551 NE2 GLN A 106 1.470 4.389 -7.303 1.00 0.00 N ATOM 0 H GLN A 106 1.425 3.514 -12.237 1.00 0.00 H new ATOM 0 HA GLN A 106 3.870 4.728 -11.491 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.111 5.120 -10.023 1.00 0.00 H new ATOM 0 HB3 GLN A 106 1.551 3.460 -10.064 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.194 2.714 -8.554 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.310 4.003 -8.962 1.00 0.00 H new ATOM 0 HE21 GLN A 106 0.920 3.733 -7.858 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.037 4.887 -6.525 1.00 0.00 H new ATOM 1558 N GLN A 107 3.971 1.597 -11.868 1.00 0.00 N ATOM 1559 CA GLN A 107 4.795 0.403 -11.790 1.00 0.00 C ATOM 1560 C GLN A 107 6.248 0.778 -11.493 1.00 0.00 C ATOM 1561 O GLN A 107 6.970 0.020 -10.846 1.00 0.00 O ATOM 1562 CB GLN A 107 4.692 -0.420 -13.076 1.00 0.00 C ATOM 1563 CG GLN A 107 5.504 -1.713 -12.966 1.00 0.00 C ATOM 1564 CD GLN A 107 4.891 -2.659 -11.932 1.00 0.00 C ATOM 1565 OE1 GLN A 107 5.262 -2.675 -10.770 1.00 0.00 O ATOM 1566 NE2 GLN A 107 3.935 -3.446 -12.419 1.00 0.00 N ATOM 0 H GLN A 107 3.204 1.543 -12.539 1.00 0.00 H new ATOM 0 HA GLN A 107 4.426 -0.216 -10.972 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.647 -0.658 -13.277 1.00 0.00 H new ATOM 0 HB3 GLN A 107 5.052 0.169 -13.919 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.543 -2.206 -13.937 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.531 -1.479 -12.686 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.673 -3.381 -13.403 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.464 -4.114 -11.809 1.00 0.00 H new ATOM 1573 N ALA A 108 6.634 1.949 -11.980 1.00 0.00 N ATOM 1574 CA ALA A 108 7.988 2.434 -11.776 1.00 0.00 C ATOM 1575 C ALA A 108 8.074 3.135 -10.418 1.00 0.00 C ATOM 1576 O ALA A 108 8.924 2.798 -9.595 1.00 0.00 O ATOM 1577 CB ALA A 108 8.381 3.354 -12.933 1.00 0.00 C ATOM 0 H ALA A 108 6.032 2.575 -12.515 1.00 0.00 H new ATOM 0 HA ALA A 108 8.695 1.605 -11.765 1.00 0.00 H new ATOM 0 HB1 ALA A 108 9.397 3.718 -12.780 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.331 2.801 -13.871 1.00 0.00 H new ATOM 0 HB3 ALA A 108 7.695 4.200 -12.974 1.00 0.00 H new ATOM 1583 N LEU A 109 7.184 4.097 -10.227 1.00 0.00 N ATOM 1584 CA LEU A 109 7.149 4.849 -8.984 1.00 0.00 C ATOM 1585 C LEU A 109 6.774 3.910 -7.836 1.00 0.00 C ATOM 1586 O LEU A 109 7.013 4.221 -6.671 1.00 0.00 O ATOM 1587 CB LEU A 109 6.223 6.059 -9.116 1.00 0.00 C ATOM 1588 CG LEU A 109 6.863 7.424 -8.857 1.00 0.00 C ATOM 1589 CD1 LEU A 109 5.934 8.558 -9.297 1.00 0.00 C ATOM 1590 CD2 LEU A 109 7.286 7.564 -7.393 1.00 0.00 C ATOM 0 H LEU A 109 6.481 4.373 -10.912 1.00 0.00 H new ATOM 0 HA LEU A 109 8.135 5.255 -8.756 1.00 0.00 H new ATOM 0 HB2 LEU A 109 5.803 6.062 -10.122 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.391 5.932 -8.423 1.00 0.00 H new ATOM 0 HG LEU A 109 7.768 7.496 -9.461 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.413 9.517 -9.102 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.727 8.466 -10.363 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.999 8.499 -8.740 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.738 8.544 -7.237 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.412 7.461 -6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.010 6.787 -7.148 1.00 0.00 H new ATOM 1601 N LEU A 110 6.191 2.778 -8.206 1.00 0.00 N ATOM 1602 CA LEU A 110 5.780 1.791 -7.222 1.00 0.00 C ATOM 1603 C LEU A 110 6.983 1.408 -6.358 1.00 0.00 C ATOM 1604 O LEU A 110 6.864 1.283 -5.140 1.00 0.00 O ATOM 1605 CB LEU A 110 5.109 0.599 -7.906 1.00 0.00 C ATOM 1606 CG LEU A 110 3.879 0.026 -7.199 1.00 0.00 C ATOM 1607 CD1 LEU A 110 3.542 -1.370 -7.730 1.00 0.00 C ATOM 1608 CD2 LEU A 110 4.066 0.031 -5.681 1.00 0.00 C ATOM 0 H LEU A 110 5.994 2.523 -9.174 1.00 0.00 H new ATOM 0 HA LEU A 110 5.027 2.209 -6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.818 0.899 -8.913 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.847 -0.197 -8.012 1.00 0.00 H new ATOM 0 HG LEU A 110 3.028 0.670 -7.420 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.664 -1.755 -7.211 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.336 -1.313 -8.799 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.386 -2.038 -7.559 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.177 -0.381 -5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.933 -0.576 -5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.221 1.054 -5.337 1.00 0.00 H new ATOM 1619 N THR A 111 8.115 1.229 -7.023 1.00 0.00 N ATOM 1620 CA THR A 111 9.340 0.861 -6.331 1.00 0.00 C ATOM 1621 C THR A 111 9.661 1.882 -5.238 1.00 0.00 C ATOM 1622 O THR A 111 10.611 1.703 -4.477 1.00 0.00 O ATOM 1623 CB THR A 111 10.448 0.720 -7.376 1.00 0.00 C ATOM 1624 OG1 THR A 111 10.632 -0.687 -7.500 1.00 0.00 O ATOM 1625 CG2 THR A 111 11.799 1.230 -6.868 1.00 0.00 C ATOM 0 H THR A 111 8.210 1.332 -8.033 1.00 0.00 H new ATOM 0 HA THR A 111 9.234 -0.095 -5.818 1.00 0.00 H new ATOM 0 HB THR A 111 10.169 1.266 -8.277 1.00 0.00 H new ATOM 0 HG1 THR A 111 11.333 -0.868 -8.160 1.00 0.00 H new ATOM 0 HG21 THR A 111 12.551 1.107 -7.648 1.00 0.00 H new ATOM 0 HG22 THR A 111 11.715 2.285 -6.608 1.00 0.00 H new ATOM 0 HG23 THR A 111 12.094 0.661 -5.986 1.00 0.00 H new ATOM 1633 N LEU A 112 8.849 2.929 -5.192 1.00 0.00 N ATOM 1634 CA LEU A 112 9.036 3.977 -4.204 1.00 0.00 C ATOM 1635 C LEU A 112 9.821 5.131 -4.832 1.00 0.00 C ATOM 1636 O LEU A 112 10.503 5.876 -4.131 1.00 0.00 O ATOM 1637 CB LEU A 112 9.682 3.412 -2.938 1.00 0.00 C ATOM 1638 CG LEU A 112 9.814 4.381 -1.761 1.00 0.00 C ATOM 1639 CD1 LEU A 112 9.316 3.740 -0.464 1.00 0.00 C ATOM 1640 CD2 LEU A 112 11.249 4.895 -1.632 1.00 0.00 C ATOM 0 H LEU A 112 8.061 3.073 -5.823 1.00 0.00 H new ATOM 0 HA LEU A 112 8.073 4.379 -3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 112 9.099 2.551 -2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 112 10.676 3.045 -3.194 1.00 0.00 H new ATOM 0 HG LEU A 112 9.179 5.245 -1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.421 4.450 0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.267 3.465 -0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.905 2.848 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.315 5.582 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.923 4.054 -1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.532 5.416 -2.547 1.00 0.00 H new ATOM 1651 N GLY A 113 9.696 5.241 -6.147 1.00 0.00 N ATOM 1652 CA GLY A 113 10.385 6.292 -6.877 1.00 0.00 C ATOM 1653 C GLY A 113 11.812 6.478 -6.356 1.00 0.00 C ATOM 1654 O GLY A 113 12.386 7.558 -6.481 1.00 0.00 O ATOM 0 H GLY A 113 9.129 4.621 -6.725 1.00 0.00 H new ATOM 0 HA2 GLY A 113 10.411 6.045 -7.938 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.834 7.228 -6.781 1.00 0.00 H new ATOM 1658 N VAL A 114 12.342 5.408 -5.783 1.00 0.00 N ATOM 1659 CA VAL A 114 13.690 5.438 -5.242 1.00 0.00 C ATOM 1660 C VAL A 114 14.322 4.053 -5.379 1.00 0.00 C ATOM 1661 O VAL A 114 14.445 3.321 -4.398 1.00 0.00 O ATOM 1662 CB VAL A 114 13.663 5.942 -3.798 1.00 0.00 C ATOM 1663 CG1 VAL A 114 15.018 5.733 -3.118 1.00 0.00 C ATOM 1664 CG2 VAL A 114 13.240 7.412 -3.737 1.00 0.00 C ATOM 0 H VAL A 114 11.862 4.514 -5.681 1.00 0.00 H new ATOM 0 HA VAL A 114 14.311 6.135 -5.805 1.00 0.00 H new ATOM 0 HB VAL A 114 12.921 5.357 -3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 114 14.971 6.100 -2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 114 15.262 4.671 -3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 114 15.787 6.279 -3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 114 13.229 7.745 -2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 114 13.946 8.018 -4.305 1.00 0.00 H new ATOM 0 HG23 VAL A 114 12.243 7.522 -4.164 1.00 0.00 H new ATOM 1674 N ALA A 115 14.708 3.732 -6.606 1.00 0.00 N ATOM 1675 CA ALA A 115 15.325 2.446 -6.885 1.00 0.00 C ATOM 1676 C ALA A 115 15.225 2.151 -8.382 1.00 0.00 C ATOM 1677 O ALA A 115 14.211 1.637 -8.851 1.00 0.00 O ATOM 1678 CB ALA A 115 14.660 1.365 -6.031 1.00 0.00 C ATOM 0 H ALA A 115 14.605 4.341 -7.418 1.00 0.00 H new ATOM 0 HA ALA A 115 16.383 2.463 -6.623 1.00 0.00 H new ATOM 0 HB1 ALA A 115 15.123 0.400 -6.240 1.00 0.00 H new ATOM 0 HB2 ALA A 115 14.786 1.607 -4.976 1.00 0.00 H new ATOM 0 HB3 ALA A 115 13.597 1.317 -6.268 1.00 0.00 H new