USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 716 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: B 12 HIS : no HD1:sc= -8.47! C(o=-16!,f=-12!) USER MOD Set 1.2: B 13 HIS : no HE2:sc= -7.85! C(o=-16!,f=-18!) USER MOD Set 2.1: A 12 HIS : no HD1:sc= -8.37! C(o=-16!,f=-12!) USER MOD Set 2.2: A 13 HIS : no HE2:sc= -7.74! C(o=-16!,f=-18!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 150:sc= -0.501 (180deg=-1.62!) USER MOD Single : A 5 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-0.13) USER MOD Single : A 6 HIS : no HE2:sc= -0.617 K(o=-0.62,f=-4.8) USER MOD Single : A 8 ASN : amide:sc= -0.509 K(o=-0.51,f=-1.5!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.819 K(o=-0.82,f=-0.14) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -7.22! C(o=-7.2!,f=-5.4!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.311 X(o=-0.31,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 149:sc= -0.439 (180deg=-1.59!) USER MOD Single : B 5 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-0.13) USER MOD Single : B 6 HIS : no HE2:sc= -0.582 K(o=-0.58,f=-4.9) USER MOD Single : B 8 ASN : amide:sc= -0.616 K(o=-0.62,f=-1.4!) USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= -0.844 K(o=-0.84,f=-0.15) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= -7.28! C(o=-7.3!,f=-5.3!) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 GLN : amide:sc= -0.313 X(o=-0.31,f=0) USER MOD Single : B 37 SER OG : rot 93:sc= 0.0186 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -26.030 5.233 7.828 1.00 0.00 N ATOM 2 CA ALA A 1 -27.489 5.334 8.087 1.00 0.00 C ATOM 3 C ALA A 1 -28.270 4.367 7.205 1.00 0.00 C ATOM 4 O ALA A 1 -28.209 4.442 5.977 1.00 0.00 O ATOM 5 CB ALA A 1 -27.967 6.760 7.857 1.00 0.00 C ATOM 0 H1 ALA A 1 -25.521 5.902 8.441 1.00 0.00 H new ATOM 0 H2 ALA A 1 -25.708 4.265 8.029 1.00 0.00 H new ATOM 0 H3 ALA A 1 -25.838 5.462 6.832 1.00 0.00 H new ATOM 0 HA ALA A 1 -27.668 5.064 9.128 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -29.038 6.820 8.050 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -27.438 7.434 8.531 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -27.768 7.049 6.825 1.00 0.00 H new ATOM 13 N LEU A 2 -29.006 3.459 7.838 1.00 0.00 N ATOM 14 CA LEU A 2 -29.801 2.476 7.110 1.00 0.00 C ATOM 15 C LEU A 2 -28.927 1.672 6.153 1.00 0.00 C ATOM 16 O LEU A 2 -27.784 2.041 5.883 1.00 0.00 O ATOM 17 CB LEU A 2 -30.922 3.169 6.335 1.00 0.00 C ATOM 18 CG LEU A 2 -31.750 4.166 7.148 1.00 0.00 C ATOM 19 CD1 LEU A 2 -32.137 3.569 8.492 1.00 0.00 C ATOM 20 CD2 LEU A 2 -30.980 5.464 7.341 1.00 0.00 C ATOM 0 H LEU A 2 -29.068 3.383 8.853 1.00 0.00 H new ATOM 0 HA LEU A 2 -30.240 1.791 7.835 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -30.486 3.691 5.484 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -31.590 2.407 5.933 1.00 0.00 H new ATOM 0 HG LEU A 2 -32.664 4.386 6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -32.725 4.293 9.056 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -32.727 2.667 8.333 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -31.236 3.319 9.052 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -31.583 6.162 7.921 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -30.050 5.260 7.872 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -30.754 5.901 6.368 1.00 0.00 H new ATOM 32 N LYS A 3 -29.474 0.575 5.641 1.00 0.00 N ATOM 33 CA LYS A 3 -28.743 -0.280 4.712 1.00 0.00 C ATOM 34 C LYS A 3 -27.382 -0.665 5.283 1.00 0.00 C ATOM 35 O LYS A 3 -26.431 0.115 5.227 1.00 0.00 O ATOM 36 CB LYS A 3 -28.563 0.429 3.369 1.00 0.00 C ATOM 37 CG LYS A 3 -28.600 -0.510 2.174 1.00 0.00 C ATOM 38 CD LYS A 3 -29.318 0.120 0.993 1.00 0.00 C ATOM 39 CE LYS A 3 -28.670 1.431 0.580 1.00 0.00 C ATOM 40 NZ LYS A 3 -29.626 2.328 -0.123 1.00 0.00 N ATOM 0 H LYS A 3 -30.420 0.257 5.853 1.00 0.00 H new ATOM 0 HA LYS A 3 -29.324 -1.190 4.560 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -29.346 1.178 3.256 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -27.611 0.961 3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -27.582 -0.773 1.885 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -29.101 -1.437 2.454 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -29.310 -0.572 0.151 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -30.362 0.295 1.252 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -28.281 1.937 1.463 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -27.820 1.226 -0.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -29.144 3.211 -0.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -29.979 1.856 -0.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -30.425 2.545 0.506 1.00 0.00 H new ATOM 54 N LYS A 4 -27.295 -1.871 5.833 1.00 0.00 N ATOM 55 CA LYS A 4 -26.048 -2.357 6.413 1.00 0.00 C ATOM 56 C LYS A 4 -25.402 -3.414 5.523 1.00 0.00 C ATOM 57 O LYS A 4 -24.602 -4.225 5.989 1.00 0.00 O ATOM 58 CB LYS A 4 -26.301 -2.933 7.808 1.00 0.00 C ATOM 59 CG LYS A 4 -27.621 -3.678 7.927 1.00 0.00 C ATOM 60 CD LYS A 4 -27.833 -4.213 9.335 1.00 0.00 C ATOM 61 CE LYS A 4 -28.637 -3.241 10.185 1.00 0.00 C ATOM 62 NZ LYS A 4 -29.864 -2.772 9.483 1.00 0.00 N ATOM 0 H LYS A 4 -28.072 -2.529 5.890 1.00 0.00 H new ATOM 0 HA LYS A 4 -25.363 -1.513 6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -25.487 -3.610 8.066 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -26.284 -2.122 8.536 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -28.442 -3.011 7.662 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -27.639 -4.504 7.216 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -28.351 -5.171 9.287 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -26.867 -4.396 9.805 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -28.917 -3.723 11.122 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -28.015 -2.383 10.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -30.604 -2.560 10.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -29.646 -1.913 8.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -30.200 -3.515 8.837 1.00 0.00 H new ATOM 76 N HIS A 5 -25.749 -3.397 4.241 1.00 0.00 N ATOM 77 CA HIS A 5 -25.196 -4.352 3.288 1.00 0.00 C ATOM 78 C HIS A 5 -23.943 -3.784 2.631 1.00 0.00 C ATOM 79 O HIS A 5 -22.851 -4.341 2.758 1.00 0.00 O ATOM 80 CB HIS A 5 -26.234 -4.702 2.221 1.00 0.00 C ATOM 81 CG HIS A 5 -27.622 -4.846 2.762 1.00 0.00 C ATOM 82 ND1 HIS A 5 -28.297 -6.049 2.794 1.00 0.00 N ATOM 83 CD2 HIS A 5 -28.465 -3.931 3.296 1.00 0.00 C ATOM 84 CE1 HIS A 5 -29.494 -5.867 3.323 1.00 0.00 C ATOM 85 NE2 HIS A 5 -29.620 -4.591 3.636 1.00 0.00 N ATOM 0 H HIS A 5 -26.410 -2.733 3.838 1.00 0.00 H new ATOM 0 HA HIS A 5 -24.928 -5.260 3.828 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -26.230 -3.927 1.454 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -25.944 -5.633 1.735 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -28.266 -2.878 3.430 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -30.242 -6.632 3.474 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -30.443 -4.164 4.062 1.00 0.00 H new ATOM 94 N HIS A 6 -24.107 -2.665 1.931 1.00 0.00 N ATOM 95 CA HIS A 6 -22.987 -2.019 1.262 1.00 0.00 C ATOM 96 C HIS A 6 -21.955 -1.555 2.284 1.00 0.00 C ATOM 97 O HIS A 6 -20.757 -1.569 2.014 1.00 0.00 O ATOM 98 CB HIS A 6 -23.477 -0.841 0.414 1.00 0.00 C ATOM 99 CG HIS A 6 -23.855 0.369 1.212 1.00 0.00 C ATOM 100 ND1 HIS A 6 -24.628 0.307 2.352 1.00 0.00 N ATOM 101 CD2 HIS A 6 -23.560 1.678 1.030 1.00 0.00 C ATOM 102 CE1 HIS A 6 -24.793 1.526 2.835 1.00 0.00 C ATOM 103 NE2 HIS A 6 -24.154 2.374 2.052 1.00 0.00 N ATOM 0 H HIS A 6 -25.002 -2.190 1.814 1.00 0.00 H new ATOM 0 HA HIS A 6 -22.513 -2.743 0.599 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -22.695 -0.567 -0.294 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -24.339 -1.162 -0.171 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -25.012 -0.546 2.759 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -22.968 2.096 0.230 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -25.355 1.784 3.720 1.00 0.00 H new ATOM 112 N GLU A 7 -22.429 -1.157 3.462 1.00 0.00 N ATOM 113 CA GLU A 7 -21.547 -0.708 4.530 1.00 0.00 C ATOM 114 C GLU A 7 -20.692 -1.868 5.026 1.00 0.00 C ATOM 115 O GLU A 7 -19.579 -1.669 5.509 1.00 0.00 O ATOM 116 CB GLU A 7 -22.364 -0.125 5.685 1.00 0.00 C ATOM 117 CG GLU A 7 -22.332 1.394 5.748 1.00 0.00 C ATOM 118 CD GLU A 7 -21.447 1.912 6.864 1.00 0.00 C ATOM 119 OE1 GLU A 7 -20.229 2.064 6.634 1.00 0.00 O ATOM 120 OE2 GLU A 7 -21.971 2.166 7.969 1.00 0.00 O ATOM 0 H GLU A 7 -23.421 -1.137 3.699 1.00 0.00 H new ATOM 0 HA GLU A 7 -20.893 0.071 4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -23.399 -0.455 5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -21.987 -0.527 6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -21.976 1.786 4.795 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -23.345 1.770 5.889 1.00 0.00 H new ATOM 127 N ASN A 8 -21.221 -3.082 4.888 1.00 0.00 N ATOM 128 CA ASN A 8 -20.503 -4.281 5.307 1.00 0.00 C ATOM 129 C ASN A 8 -19.308 -4.515 4.392 1.00 0.00 C ATOM 130 O ASN A 8 -18.160 -4.519 4.838 1.00 0.00 O ATOM 131 CB ASN A 8 -21.430 -5.497 5.282 1.00 0.00 C ATOM 132 CG ASN A 8 -21.894 -5.899 6.669 1.00 0.00 C ATOM 133 OD1 ASN A 8 -21.172 -5.727 7.651 1.00 0.00 O ATOM 134 ND2 ASN A 8 -23.104 -6.438 6.756 1.00 0.00 N ATOM 0 H ASN A 8 -22.143 -3.260 4.490 1.00 0.00 H new ATOM 0 HA ASN A 8 -20.149 -4.138 6.328 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -22.298 -5.276 4.661 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -20.912 -6.336 4.818 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -23.469 -6.728 7.663 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -23.669 -6.562 5.916 1.00 0.00 H new ATOM 141 N GLU A 9 -19.585 -4.684 3.103 1.00 0.00 N ATOM 142 CA GLU A 9 -18.527 -4.889 2.122 1.00 0.00 C ATOM 143 C GLU A 9 -17.638 -3.647 2.036 1.00 0.00 C ATOM 144 O GLU A 9 -16.513 -3.707 1.539 1.00 0.00 O ATOM 145 CB GLU A 9 -19.125 -5.202 0.749 1.00 0.00 C ATOM 146 CG GLU A 9 -18.091 -5.276 -0.362 1.00 0.00 C ATOM 147 CD GLU A 9 -18.262 -6.503 -1.237 1.00 0.00 C ATOM 148 OE1 GLU A 9 -19.396 -6.747 -1.701 1.00 0.00 O ATOM 149 OE2 GLU A 9 -17.263 -7.219 -1.459 1.00 0.00 O ATOM 0 H GLU A 9 -20.529 -4.683 2.715 1.00 0.00 H new ATOM 0 HA GLU A 9 -17.920 -5.737 2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -19.658 -6.151 0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -19.860 -4.437 0.499 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -18.162 -4.381 -0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -17.093 -5.283 0.076 1.00 0.00 H new ATOM 156 N ILE A 10 -18.155 -2.522 2.532 1.00 0.00 N ATOM 157 CA ILE A 10 -17.429 -1.262 2.528 1.00 0.00 C ATOM 158 C ILE A 10 -16.452 -1.220 3.707 1.00 0.00 C ATOM 159 O ILE A 10 -15.398 -0.591 3.630 1.00 0.00 O ATOM 160 CB ILE A 10 -18.435 -0.070 2.570 1.00 0.00 C ATOM 161 CG1 ILE A 10 -18.882 0.282 1.151 1.00 0.00 C ATOM 162 CG2 ILE A 10 -17.875 1.174 3.259 1.00 0.00 C ATOM 163 CD1 ILE A 10 -19.895 1.405 1.102 1.00 0.00 C ATOM 0 H ILE A 10 -19.086 -2.464 2.945 1.00 0.00 H new ATOM 0 HA ILE A 10 -16.848 -1.176 1.610 1.00 0.00 H new ATOM 0 HB ILE A 10 -19.285 -0.401 3.166 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -18.009 0.564 0.562 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -19.310 -0.604 0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -18.627 1.963 3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -17.612 0.932 4.289 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.986 1.515 2.728 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -20.169 1.603 0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -20.784 1.118 1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -19.463 2.304 1.542 1.00 0.00 H new ATOM 175 N SER A 11 -16.808 -1.903 4.788 1.00 0.00 N ATOM 176 CA SER A 11 -15.959 -1.950 5.970 1.00 0.00 C ATOM 177 C SER A 11 -14.755 -2.848 5.715 1.00 0.00 C ATOM 178 O SER A 11 -13.647 -2.569 6.175 1.00 0.00 O ATOM 179 CB SER A 11 -16.749 -2.460 7.177 1.00 0.00 C ATOM 180 OG SER A 11 -16.128 -2.081 8.394 1.00 0.00 O ATOM 0 H SER A 11 -17.677 -2.431 4.870 1.00 0.00 H new ATOM 0 HA SER A 11 -15.609 -0.941 6.186 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.764 -2.063 7.145 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.830 -3.546 7.130 1.00 0.00 H new ATOM 0 HG SER A 11 -16.654 -2.418 9.149 1.00 0.00 H new ATOM 186 N HIS A 12 -14.980 -3.922 4.965 1.00 0.00 N ATOM 187 CA HIS A 12 -13.916 -4.856 4.637 1.00 0.00 C ATOM 188 C HIS A 12 -12.925 -4.197 3.671 1.00 0.00 C ATOM 189 O HIS A 12 -11.713 -4.232 3.891 1.00 0.00 O ATOM 190 CB HIS A 12 -14.528 -6.160 4.070 1.00 0.00 C ATOM 191 CG HIS A 12 -13.863 -6.716 2.843 1.00 0.00 C ATOM 192 ND1 HIS A 12 -12.807 -7.602 2.889 1.00 0.00 N ATOM 193 CD2 HIS A 12 -14.120 -6.506 1.534 1.00 0.00 C ATOM 194 CE1 HIS A 12 -12.442 -7.912 1.657 1.00 0.00 C ATOM 195 NE2 HIS A 12 -13.225 -7.261 0.817 1.00 0.00 N ATOM 0 H HIS A 12 -15.890 -4.165 4.574 1.00 0.00 H new ATOM 0 HA HIS A 12 -13.357 -5.124 5.533 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -14.502 -6.920 4.850 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -15.577 -5.976 3.840 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.887 -5.864 1.127 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.641 -8.583 1.384 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -13.173 -7.311 -0.200 1.00 0.00 H new ATOM 204 N HIS A 13 -13.446 -3.584 2.610 1.00 0.00 N ATOM 205 CA HIS A 13 -12.594 -2.913 1.638 1.00 0.00 C ATOM 206 C HIS A 13 -11.779 -1.821 2.315 1.00 0.00 C ATOM 207 O HIS A 13 -10.647 -1.549 1.925 1.00 0.00 O ATOM 208 CB HIS A 13 -13.419 -2.300 0.510 1.00 0.00 C ATOM 209 CG HIS A 13 -14.220 -3.286 -0.272 1.00 0.00 C ATOM 210 ND1 HIS A 13 -13.839 -4.597 -0.463 1.00 0.00 N ATOM 211 CD2 HIS A 13 -15.390 -3.135 -0.928 1.00 0.00 C ATOM 212 CE1 HIS A 13 -14.744 -5.211 -1.206 1.00 0.00 C ATOM 213 NE2 HIS A 13 -15.695 -4.346 -1.501 1.00 0.00 N ATOM 0 H HIS A 13 -14.444 -3.539 2.405 1.00 0.00 H new ATOM 0 HA HIS A 13 -11.924 -3.661 1.214 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -14.094 -1.555 0.933 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.749 -1.774 -0.170 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -12.992 -5.026 -0.090 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -15.977 -2.231 -0.991 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -14.710 -6.244 -1.518 1.00 0.00 H new ATOM 222 N ALA A 14 -12.365 -1.196 3.333 1.00 0.00 N ATOM 223 CA ALA A 14 -11.687 -0.133 4.062 1.00 0.00 C ATOM 224 C ALA A 14 -10.444 -0.673 4.749 1.00 0.00 C ATOM 225 O ALA A 14 -9.371 -0.077 4.675 1.00 0.00 O ATOM 226 CB ALA A 14 -12.627 0.504 5.075 1.00 0.00 C ATOM 0 H ALA A 14 -13.304 -1.408 3.669 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.382 0.635 3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.103 1.296 5.610 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.489 0.925 4.557 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.964 -0.252 5.785 1.00 0.00 H new ATOM 232 N LYS A 15 -10.590 -1.817 5.404 1.00 0.00 N ATOM 233 CA LYS A 15 -9.469 -2.446 6.081 1.00 0.00 C ATOM 234 C LYS A 15 -8.469 -2.988 5.062 1.00 0.00 C ATOM 235 O LYS A 15 -7.326 -3.288 5.402 1.00 0.00 O ATOM 236 CB LYS A 15 -9.957 -3.574 6.992 1.00 0.00 C ATOM 237 CG LYS A 15 -10.526 -4.764 6.236 1.00 0.00 C ATOM 238 CD LYS A 15 -10.225 -6.072 6.951 1.00 0.00 C ATOM 239 CE LYS A 15 -11.423 -7.009 6.926 1.00 0.00 C ATOM 240 NZ LYS A 15 -11.321 -8.068 7.967 1.00 0.00 N ATOM 0 H LYS A 15 -11.471 -2.325 5.480 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.972 -1.694 6.694 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.128 -3.912 7.614 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.721 -3.182 7.664 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.604 -4.646 6.128 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.106 -4.792 5.230 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.371 -6.558 6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.944 -5.867 7.984 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.336 -6.435 7.081 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.501 -7.473 5.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.156 -8.686 7.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.463 -8.633 7.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.273 -7.627 8.908 1.00 0.00 H new ATOM 254 N GLU A 16 -8.907 -3.117 3.806 1.00 0.00 N ATOM 255 CA GLU A 16 -8.049 -3.628 2.745 1.00 0.00 C ATOM 256 C GLU A 16 -7.090 -2.554 2.234 1.00 0.00 C ATOM 257 O GLU A 16 -5.906 -2.822 2.037 1.00 0.00 O ATOM 258 CB GLU A 16 -8.895 -4.163 1.589 1.00 0.00 C ATOM 259 CG GLU A 16 -8.746 -5.660 1.369 1.00 0.00 C ATOM 260 CD GLU A 16 -10.041 -6.317 0.934 1.00 0.00 C ATOM 261 OE1 GLU A 16 -11.104 -5.673 1.057 1.00 0.00 O ATOM 262 OE2 GLU A 16 -9.993 -7.476 0.470 1.00 0.00 O ATOM 0 H GLU A 16 -9.850 -2.874 3.504 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.455 -4.441 3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.943 -3.935 1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.617 -3.640 0.674 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.981 -5.838 0.613 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.398 -6.126 2.291 1.00 0.00 H new ATOM 269 N ILE A 17 -7.595 -1.341 2.019 1.00 0.00 N ATOM 270 CA ILE A 17 -6.754 -0.252 1.534 1.00 0.00 C ATOM 271 C ILE A 17 -5.885 0.297 2.661 1.00 0.00 C ATOM 272 O ILE A 17 -4.769 0.764 2.429 1.00 0.00 O ATOM 273 CB ILE A 17 -7.597 0.890 0.929 1.00 0.00 C ATOM 274 CG1 ILE A 17 -6.696 2.042 0.474 1.00 0.00 C ATOM 275 CG2 ILE A 17 -8.630 1.375 1.936 1.00 0.00 C ATOM 276 CD1 ILE A 17 -7.452 3.299 0.098 1.00 0.00 C ATOM 0 H ILE A 17 -8.572 -1.090 2.171 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.116 -0.660 0.750 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.124 0.508 0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.993 2.278 1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.107 1.714 -0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.217 2.181 1.495 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.290 0.551 2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.124 1.742 2.829 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.746 4.069 -0.213 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.136 3.081 -0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.019 3.654 0.959 1.00 0.00 H new ATOM 288 N GLU A 18 -6.401 0.226 3.883 1.00 0.00 N ATOM 289 CA GLU A 18 -5.670 0.708 5.047 1.00 0.00 C ATOM 290 C GLU A 18 -4.633 -0.318 5.492 1.00 0.00 C ATOM 291 O GLU A 18 -3.572 0.039 6.007 1.00 0.00 O ATOM 292 CB GLU A 18 -6.635 1.007 6.196 1.00 0.00 C ATOM 293 CG GLU A 18 -5.940 1.430 7.480 1.00 0.00 C ATOM 294 CD GLU A 18 -5.724 0.272 8.434 1.00 0.00 C ATOM 295 OE1 GLU A 18 -5.679 -0.885 7.963 1.00 0.00 O ATOM 296 OE2 GLU A 18 -5.599 0.521 9.651 1.00 0.00 O ATOM 0 H GLU A 18 -7.322 -0.160 4.092 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.155 1.628 4.770 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.321 1.796 5.887 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.237 0.120 6.394 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.977 1.880 7.237 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.535 2.198 7.975 1.00 0.00 H new ATOM 303 N ARG A 19 -4.943 -1.595 5.285 1.00 0.00 N ATOM 304 CA ARG A 19 -4.034 -2.668 5.663 1.00 0.00 C ATOM 305 C ARG A 19 -2.865 -2.752 4.692 1.00 0.00 C ATOM 306 O ARG A 19 -1.722 -2.963 5.098 1.00 0.00 O ATOM 307 CB ARG A 19 -4.772 -4.006 5.709 1.00 0.00 C ATOM 308 CG ARG A 19 -3.860 -5.197 5.954 1.00 0.00 C ATOM 309 CD ARG A 19 -4.622 -6.368 6.555 1.00 0.00 C ATOM 310 NE ARG A 19 -3.782 -7.554 6.691 1.00 0.00 N ATOM 311 CZ ARG A 19 -3.517 -8.387 5.690 1.00 0.00 C ATOM 312 NH1 ARG A 19 -4.023 -8.163 4.485 1.00 0.00 N ATOM 313 NH2 ARG A 19 -2.743 -9.446 5.893 1.00 0.00 N ATOM 0 H ARG A 19 -5.815 -1.909 4.859 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.646 -2.446 6.657 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.526 -3.969 6.496 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.301 -4.152 4.767 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.401 -5.504 5.014 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.051 -4.906 6.624 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.010 -6.084 7.533 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.481 -6.602 5.927 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.376 -7.755 7.605 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.617 -7.350 4.325 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.818 -8.804 3.719 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.351 -9.621 6.818 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.540 -10.085 5.124 1.00 0.00 H new ATOM 327 N LEU A 20 -3.151 -2.575 3.405 1.00 0.00 N ATOM 328 CA LEU A 20 -2.111 -2.624 2.393 1.00 0.00 C ATOM 329 C LEU A 20 -1.207 -1.407 2.520 1.00 0.00 C ATOM 330 O LEU A 20 0.002 -1.495 2.309 1.00 0.00 O ATOM 331 CB LEU A 20 -2.724 -2.688 0.993 1.00 0.00 C ATOM 332 CG LEU A 20 -3.672 -3.864 0.756 1.00 0.00 C ATOM 333 CD1 LEU A 20 -4.732 -3.497 -0.271 1.00 0.00 C ATOM 334 CD2 LEU A 20 -2.893 -5.092 0.304 1.00 0.00 C ATOM 0 H LEU A 20 -4.089 -2.398 3.044 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.516 -3.525 2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.266 -1.761 0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.917 -2.738 0.261 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.172 -4.099 1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.397 -4.346 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.309 -2.645 0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.251 -3.236 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.582 -5.920 0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.367 -4.868 -0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.171 -5.368 1.073 1.00 0.00 H new ATOM 346 N GLN A 21 -1.803 -0.272 2.871 1.00 0.00 N ATOM 347 CA GLN A 21 -1.053 0.966 3.034 1.00 0.00 C ATOM 348 C GLN A 21 -0.025 0.829 4.151 1.00 0.00 C ATOM 349 O GLN A 21 1.118 1.261 4.011 1.00 0.00 O ATOM 350 CB GLN A 21 -2.002 2.128 3.335 1.00 0.00 C ATOM 351 CG GLN A 21 -2.592 2.771 2.092 1.00 0.00 C ATOM 352 CD GLN A 21 -1.811 3.987 1.636 1.00 0.00 C ATOM 353 OE1 GLN A 21 -2.389 4.983 1.198 1.00 0.00 O ATOM 354 NE2 GLN A 21 -0.489 3.913 1.737 1.00 0.00 N ATOM 0 H GLN A 21 -2.804 -0.185 3.048 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.528 1.172 2.101 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.814 1.768 3.968 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -1.465 2.886 3.906 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.618 2.038 1.286 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.623 3.061 2.293 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.052 3.068 2.106 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.090 4.701 1.446 1.00 0.00 H new ATOM 363 N LYS A 22 -0.436 0.218 5.258 1.00 0.00 N ATOM 364 CA LYS A 22 0.458 0.021 6.393 1.00 0.00 C ATOM 365 C LYS A 22 1.652 -0.839 5.990 1.00 0.00 C ATOM 366 O LYS A 22 2.797 -0.531 6.325 1.00 0.00 O ATOM 367 CB LYS A 22 -0.292 -0.634 7.554 1.00 0.00 C ATOM 368 CG LYS A 22 0.560 -0.821 8.798 1.00 0.00 C ATOM 369 CD LYS A 22 0.139 -2.054 9.581 1.00 0.00 C ATOM 370 CE LYS A 22 0.458 -3.331 8.822 1.00 0.00 C ATOM 371 NZ LYS A 22 0.315 -4.538 9.681 1.00 0.00 N ATOM 0 H LYS A 22 -1.379 -0.148 5.393 1.00 0.00 H new ATOM 0 HA LYS A 22 0.823 0.996 6.716 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.159 -0.024 7.806 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.668 -1.605 7.232 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.608 -0.910 8.512 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.477 0.061 9.433 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.648 -2.066 10.545 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.931 -2.009 9.786 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.206 -3.417 7.962 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.476 -3.279 8.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.541 -5.388 9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.966 -4.468 10.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.663 -4.602 10.029 1.00 0.00 H new ATOM 385 N GLU A 23 1.375 -1.918 5.265 1.00 0.00 N ATOM 386 CA GLU A 23 2.423 -2.825 4.814 1.00 0.00 C ATOM 387 C GLU A 23 3.454 -2.088 3.963 1.00 0.00 C ATOM 388 O GLU A 23 4.659 -2.313 4.094 1.00 0.00 O ATOM 389 CB GLU A 23 1.817 -3.980 4.014 1.00 0.00 C ATOM 390 CG GLU A 23 2.172 -5.352 4.565 1.00 0.00 C ATOM 391 CD GLU A 23 1.550 -6.479 3.765 1.00 0.00 C ATOM 392 OE1 GLU A 23 0.618 -6.206 2.980 1.00 0.00 O ATOM 393 OE2 GLU A 23 1.996 -7.635 3.922 1.00 0.00 O ATOM 0 H GLU A 23 0.434 -2.185 4.978 1.00 0.00 H new ATOM 0 HA GLU A 23 2.925 -3.225 5.695 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.732 -3.872 4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.157 -3.913 2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.256 -5.469 4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.840 -5.421 5.601 1.00 0.00 H new ATOM 400 N ILE A 24 2.976 -1.205 3.089 1.00 0.00 N ATOM 401 CA ILE A 24 3.867 -0.442 2.225 1.00 0.00 C ATOM 402 C ILE A 24 4.747 0.488 3.059 1.00 0.00 C ATOM 403 O ILE A 24 5.883 0.784 2.691 1.00 0.00 O ATOM 404 CB ILE A 24 3.088 0.357 1.133 1.00 0.00 C ATOM 405 CG1 ILE A 24 2.703 1.769 1.596 1.00 0.00 C ATOM 406 CG2 ILE A 24 1.842 -0.404 0.705 1.00 0.00 C ATOM 407 CD1 ILE A 24 3.612 2.842 1.040 1.00 0.00 C ATOM 0 H ILE A 24 1.984 -1.003 2.962 1.00 0.00 H new ATOM 0 HA ILE A 24 4.505 -1.154 1.701 1.00 0.00 H new ATOM 0 HB ILE A 24 3.762 0.466 0.283 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.677 1.977 1.293 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.728 1.808 2.685 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.311 0.167 -0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.130 -1.373 0.297 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.192 -0.552 1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.288 3.817 1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.636 2.655 1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.568 2.828 -0.049 1.00 0.00 H new ATOM 419 N GLU A 25 4.208 0.933 4.191 1.00 0.00 N ATOM 420 CA GLU A 25 4.939 1.816 5.090 1.00 0.00 C ATOM 421 C GLU A 25 6.176 1.110 5.623 1.00 0.00 C ATOM 422 O GLU A 25 7.269 1.677 5.642 1.00 0.00 O ATOM 423 CB GLU A 25 4.044 2.257 6.250 1.00 0.00 C ATOM 424 CG GLU A 25 4.706 3.258 7.182 1.00 0.00 C ATOM 425 CD GLU A 25 4.313 3.053 8.631 1.00 0.00 C ATOM 426 OE1 GLU A 25 3.229 2.484 8.878 1.00 0.00 O ATOM 427 OE2 GLU A 25 5.088 3.463 9.521 1.00 0.00 O ATOM 0 H GLU A 25 3.267 0.696 4.506 1.00 0.00 H new ATOM 0 HA GLU A 25 5.248 2.701 4.534 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.131 2.697 5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.748 1.379 6.824 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.789 3.176 7.088 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.435 4.268 6.875 1.00 0.00 H new ATOM 434 N ARG A 26 5.999 -0.138 6.043 1.00 0.00 N ATOM 435 CA ARG A 26 7.107 -0.930 6.562 1.00 0.00 C ATOM 436 C ARG A 26 8.213 -1.029 5.519 1.00 0.00 C ATOM 437 O ARG A 26 9.379 -0.747 5.801 1.00 0.00 O ATOM 438 CB ARG A 26 6.627 -2.329 6.953 1.00 0.00 C ATOM 439 CG ARG A 26 7.243 -2.844 8.244 1.00 0.00 C ATOM 440 CD ARG A 26 7.497 -4.342 8.181 1.00 0.00 C ATOM 441 NE ARG A 26 6.294 -5.114 8.480 1.00 0.00 N ATOM 442 CZ ARG A 26 6.256 -6.442 8.493 1.00 0.00 C ATOM 443 NH1 ARG A 26 7.352 -7.141 8.226 1.00 0.00 N ATOM 444 NH2 ARG A 26 5.125 -7.072 8.774 1.00 0.00 N ATOM 0 H ARG A 26 5.101 -0.622 6.034 1.00 0.00 H new ATOM 0 HA ARG A 26 7.501 -0.437 7.451 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.542 -2.316 7.058 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.861 -3.023 6.146 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.181 -2.322 8.434 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.579 -2.621 9.079 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.860 -4.607 7.188 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.283 -4.607 8.889 1.00 0.00 H new ATOM 0 HE ARG A 26 5.435 -4.605 8.691 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.225 -6.659 8.011 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.322 -8.161 8.236 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.281 -6.537 8.981 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.098 -8.092 8.783 1.00 0.00 H new ATOM 458 N HIS A 27 7.835 -1.414 4.302 1.00 0.00 N ATOM 459 CA HIS A 27 8.793 -1.532 3.213 1.00 0.00 C ATOM 460 C HIS A 27 9.364 -0.163 2.851 1.00 0.00 C ATOM 461 O HIS A 27 10.431 -0.067 2.243 1.00 0.00 O ATOM 462 CB HIS A 27 8.131 -2.163 1.987 1.00 0.00 C ATOM 463 CG HIS A 27 8.336 -3.644 1.893 1.00 0.00 C ATOM 464 ND1 HIS A 27 9.583 -4.234 1.917 1.00 0.00 N ATOM 465 CD2 HIS A 27 7.444 -4.657 1.777 1.00 0.00 C ATOM 466 CE1 HIS A 27 9.449 -5.545 1.817 1.00 0.00 C ATOM 467 NE2 HIS A 27 8.162 -5.826 1.732 1.00 0.00 N ATOM 0 H HIS A 27 6.875 -1.648 4.049 1.00 0.00 H new ATOM 0 HA HIS A 27 9.609 -2.175 3.543 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.062 -1.953 2.013 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.527 -1.692 1.087 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.369 -4.562 1.729 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.255 -6.264 1.807 1.00 0.00 H new ATOM 0 HE2 HIS A 27 7.765 -6.762 1.647 1.00 0.00 H new ATOM 476 N LYS A 28 8.649 0.895 3.231 1.00 0.00 N ATOM 477 CA LYS A 28 9.085 2.257 2.950 1.00 0.00 C ATOM 478 C LYS A 28 10.141 2.703 3.952 1.00 0.00 C ATOM 479 O LYS A 28 10.974 3.558 3.652 1.00 0.00 O ATOM 480 CB LYS A 28 7.892 3.214 2.989 1.00 0.00 C ATOM 481 CG LYS A 28 8.255 4.651 2.653 1.00 0.00 C ATOM 482 CD LYS A 28 7.120 5.605 2.992 1.00 0.00 C ATOM 483 CE LYS A 28 7.447 6.446 4.215 1.00 0.00 C ATOM 484 NZ LYS A 28 6.955 7.844 4.075 1.00 0.00 N ATOM 0 H LYS A 28 7.764 0.832 3.735 1.00 0.00 H new ATOM 0 HA LYS A 28 9.524 2.275 1.952 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.134 2.866 2.287 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.445 3.184 3.982 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.151 4.939 3.203 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.493 4.729 1.592 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.926 6.258 2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.207 5.037 3.173 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.000 5.991 5.099 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.526 6.455 4.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.198 8.385 4.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.401 8.287 3.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.922 7.838 3.951 1.00 0.00 H new ATOM 498 N GLN A 29 10.103 2.117 5.144 1.00 0.00 N ATOM 499 CA GLN A 29 11.060 2.452 6.189 1.00 0.00 C ATOM 500 C GLN A 29 12.404 1.791 5.911 1.00 0.00 C ATOM 501 O GLN A 29 13.459 2.385 6.135 1.00 0.00 O ATOM 502 CB GLN A 29 10.534 2.012 7.557 1.00 0.00 C ATOM 503 CG GLN A 29 11.303 2.607 8.724 1.00 0.00 C ATOM 504 CD GLN A 29 11.183 1.774 9.985 1.00 0.00 C ATOM 505 OE1 GLN A 29 11.793 0.710 10.100 1.00 0.00 O ATOM 506 NE2 GLN A 29 10.394 2.253 10.940 1.00 0.00 N ATOM 0 H GLN A 29 9.419 1.408 5.409 1.00 0.00 H new ATOM 0 HA GLN A 29 11.195 3.534 6.196 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.485 2.295 7.642 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.577 0.925 7.621 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.355 2.699 8.452 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.935 3.614 8.921 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.907 3.139 10.803 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.275 1.735 11.811 1.00 0.00 H new ATOM 515 N SER A 30 12.357 0.558 5.417 1.00 0.00 N ATOM 516 CA SER A 30 13.572 -0.185 5.104 1.00 0.00 C ATOM 517 C SER A 30 14.246 0.379 3.857 1.00 0.00 C ATOM 518 O SER A 30 15.470 0.502 3.802 1.00 0.00 O ATOM 519 CB SER A 30 13.251 -1.666 4.900 1.00 0.00 C ATOM 520 OG SER A 30 14.221 -2.489 5.524 1.00 0.00 O ATOM 0 H SER A 30 11.492 0.053 5.225 1.00 0.00 H new ATOM 0 HA SER A 30 14.259 -0.083 5.944 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.265 -1.887 5.308 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.212 -1.889 3.834 1.00 0.00 H new ATOM 0 HG SER A 30 13.992 -3.431 5.380 1.00 0.00 H new ATOM 526 N ILE A 31 13.439 0.721 2.856 1.00 0.00 N ATOM 527 CA ILE A 31 13.960 1.270 1.610 1.00 0.00 C ATOM 528 C ILE A 31 14.364 2.729 1.784 1.00 0.00 C ATOM 529 O ILE A 31 15.246 3.229 1.085 1.00 0.00 O ATOM 530 CB ILE A 31 12.921 1.156 0.478 1.00 0.00 C ATOM 531 CG1 ILE A 31 13.476 1.718 -0.830 1.00 0.00 C ATOM 532 CG2 ILE A 31 11.640 1.877 0.862 1.00 0.00 C ATOM 533 CD1 ILE A 31 14.396 0.762 -1.553 1.00 0.00 C ATOM 0 H ILE A 31 12.424 0.627 2.884 1.00 0.00 H new ATOM 0 HA ILE A 31 14.841 0.687 1.341 1.00 0.00 H new ATOM 0 HB ILE A 31 12.697 0.100 0.327 1.00 0.00 H new ATOM 0 HG12 ILE A 31 12.645 1.977 -1.486 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.016 2.641 -0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.916 1.788 0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.229 1.431 1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 31 11.855 2.930 1.042 1.00 0.00 H new ATOM 0 HD11 ILE A 31 14.753 1.226 -2.473 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.246 0.522 -0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 31 13.854 -0.152 -1.795 1.00 0.00 H new ATOM 545 N LYS A 32 13.721 3.406 2.729 1.00 0.00 N ATOM 546 CA LYS A 32 14.021 4.804 3.004 1.00 0.00 C ATOM 547 C LYS A 32 15.263 4.922 3.881 1.00 0.00 C ATOM 548 O LYS A 32 15.959 5.938 3.859 1.00 0.00 O ATOM 549 CB LYS A 32 12.831 5.481 3.687 1.00 0.00 C ATOM 550 CG LYS A 32 13.105 6.919 4.100 1.00 0.00 C ATOM 551 CD LYS A 32 11.897 7.542 4.780 1.00 0.00 C ATOM 552 CE LYS A 32 11.412 6.693 5.944 1.00 0.00 C ATOM 553 NZ LYS A 32 10.414 7.415 6.781 1.00 0.00 N ATOM 0 H LYS A 32 12.989 3.008 3.317 1.00 0.00 H new ATOM 0 HA LYS A 32 14.214 5.305 2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.976 5.462 3.011 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.553 4.905 4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.960 6.948 4.776 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.373 7.506 3.222 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.154 8.539 5.138 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.092 7.661 4.055 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.968 5.774 5.562 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.262 6.404 6.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.109 6.802 7.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.845 8.280 7.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.591 7.669 6.198 1.00 0.00 H new ATOM 567 N LYS A 33 15.535 3.874 4.653 1.00 0.00 N ATOM 568 CA LYS A 33 16.694 3.856 5.537 1.00 0.00 C ATOM 569 C LYS A 33 17.972 3.585 4.751 1.00 0.00 C ATOM 570 O LYS A 33 19.006 4.204 4.998 1.00 0.00 O ATOM 571 CB LYS A 33 16.516 2.794 6.624 1.00 0.00 C ATOM 572 CG LYS A 33 15.719 3.279 7.823 1.00 0.00 C ATOM 573 CD LYS A 33 15.320 2.127 8.730 1.00 0.00 C ATOM 574 CE LYS A 33 15.697 2.400 10.177 1.00 0.00 C ATOM 575 NZ LYS A 33 17.159 2.243 10.408 1.00 0.00 N ATOM 0 H LYS A 33 14.968 3.027 4.684 1.00 0.00 H new ATOM 0 HA LYS A 33 16.777 4.836 6.006 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.017 1.926 6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.498 2.463 6.961 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.311 3.999 8.387 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.825 3.800 7.480 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.245 1.962 8.658 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.807 1.212 8.393 1.00 0.00 H new ATOM 0 HE2 LYS A 33 15.393 3.411 10.447 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.151 1.719 10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.376 2.438 11.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.445 1.271 10.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 17.680 2.911 9.804 1.00 0.00 H new ATOM 589 N LEU A 34 17.895 2.657 3.800 1.00 0.00 N ATOM 590 CA LEU A 34 19.051 2.312 2.981 1.00 0.00 C ATOM 591 C LEU A 34 19.316 3.391 1.937 1.00 0.00 C ATOM 592 O LEU A 34 20.464 3.642 1.569 1.00 0.00 O ATOM 593 CB LEU A 34 18.836 0.961 2.295 1.00 0.00 C ATOM 594 CG LEU A 34 20.028 0.004 2.366 1.00 0.00 C ATOM 595 CD1 LEU A 34 19.733 -1.274 1.596 1.00 0.00 C ATOM 596 CD2 LEU A 34 21.283 0.677 1.827 1.00 0.00 C ATOM 0 H LEU A 34 17.048 2.133 3.579 1.00 0.00 H new ATOM 0 HA LEU A 34 19.920 2.242 3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.971 0.475 2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.592 1.137 1.247 1.00 0.00 H new ATOM 0 HG LEU A 34 20.199 -0.258 3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 34 20.592 -1.942 1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.860 -1.765 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 34 19.536 -1.032 0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 34 22.121 -0.017 1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 34 21.123 0.967 0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 34 21.504 1.563 2.421 1.00 0.00 H new ATOM 608 N LYS A 35 18.250 4.027 1.467 1.00 0.00 N ATOM 609 CA LYS A 35 18.369 5.083 0.468 1.00 0.00 C ATOM 610 C LYS A 35 18.740 6.408 1.125 1.00 0.00 C ATOM 611 O LYS A 35 19.345 7.277 0.496 1.00 0.00 O ATOM 612 CB LYS A 35 17.060 5.232 -0.308 1.00 0.00 C ATOM 613 CG LYS A 35 17.099 6.326 -1.362 1.00 0.00 C ATOM 614 CD LYS A 35 15.702 6.810 -1.715 1.00 0.00 C ATOM 615 CE LYS A 35 15.306 8.022 -0.887 1.00 0.00 C ATOM 616 NZ LYS A 35 13.882 7.959 -0.456 1.00 0.00 N ATOM 0 H LYS A 35 17.293 3.830 1.761 1.00 0.00 H new ATOM 0 HA LYS A 35 19.162 4.806 -0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.823 4.283 -0.790 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.253 5.444 0.394 1.00 0.00 H new ATOM 0 HG2 LYS A 35 17.694 7.163 -0.997 1.00 0.00 H new ATOM 0 HG3 LYS A 35 17.593 5.951 -2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.660 7.063 -2.775 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.985 6.006 -1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.948 8.087 -0.009 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.469 8.929 -1.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.652 8.803 0.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.267 7.922 -1.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.731 7.107 0.121 1.00 0.00 H new ATOM 630 N GLN A 36 18.375 6.554 2.394 1.00 0.00 N ATOM 631 CA GLN A 36 18.670 7.771 3.139 1.00 0.00 C ATOM 632 C GLN A 36 20.098 7.745 3.675 1.00 0.00 C ATOM 633 O GLN A 36 20.705 8.791 3.903 1.00 0.00 O ATOM 634 CB GLN A 36 17.682 7.940 4.295 1.00 0.00 C ATOM 635 CG GLN A 36 17.970 9.149 5.171 1.00 0.00 C ATOM 636 CD GLN A 36 16.761 9.590 5.972 1.00 0.00 C ATOM 637 OE1 GLN A 36 16.539 10.783 6.176 1.00 0.00 O ATOM 638 NE2 GLN A 36 15.972 8.625 6.431 1.00 0.00 N ATOM 0 H GLN A 36 17.874 5.844 2.928 1.00 0.00 H new ATOM 0 HA GLN A 36 18.570 8.617 2.459 1.00 0.00 H new ATOM 0 HB2 GLN A 36 16.674 8.027 3.890 1.00 0.00 H new ATOM 0 HB3 GLN A 36 17.701 7.042 4.912 1.00 0.00 H new ATOM 0 HG2 GLN A 36 18.787 8.912 5.853 1.00 0.00 H new ATOM 0 HG3 GLN A 36 18.307 9.975 4.545 1.00 0.00 H new ATOM 0 HE21 GLN A 36 16.195 7.649 6.237 1.00 0.00 H new ATOM 0 HE22 GLN A 36 15.143 8.860 6.977 1.00 0.00 H new ATOM 647 N SER A 37 20.627 6.542 3.874 1.00 0.00 N ATOM 648 CA SER A 37 21.985 6.380 4.382 1.00 0.00 C ATOM 649 C SER A 37 23.009 6.592 3.272 1.00 0.00 C ATOM 650 O SER A 37 24.150 6.973 3.532 1.00 0.00 O ATOM 651 CB SER A 37 22.160 4.989 4.994 1.00 0.00 C ATOM 652 OG SER A 37 22.061 5.036 6.408 1.00 0.00 O ATOM 0 H SER A 37 20.137 5.666 3.692 1.00 0.00 H new ATOM 0 HA SER A 37 22.150 7.132 5.153 1.00 0.00 H new ATOM 0 HB2 SER A 37 21.401 4.315 4.596 1.00 0.00 H new ATOM 0 HB3 SER A 37 23.130 4.582 4.708 1.00 0.00 H new ATOM 0 HG SER A 37 22.175 4.134 6.774 1.00 0.00 H new ATOM 658 N GLU A 38 22.593 6.343 2.034 1.00 0.00 N ATOM 659 CA GLU A 38 23.476 6.508 0.885 1.00 0.00 C ATOM 660 C GLU A 38 23.497 7.959 0.418 1.00 0.00 C ATOM 661 O GLU A 38 24.496 8.435 -0.120 1.00 0.00 O ATOM 662 CB GLU A 38 23.030 5.598 -0.262 1.00 0.00 C ATOM 663 CG GLU A 38 23.870 5.750 -1.519 1.00 0.00 C ATOM 664 CD GLU A 38 23.081 5.469 -2.784 1.00 0.00 C ATOM 665 OE1 GLU A 38 22.033 4.797 -2.693 1.00 0.00 O ATOM 666 OE2 GLU A 38 23.514 5.920 -3.865 1.00 0.00 O ATOM 0 H GLU A 38 21.652 6.027 1.801 1.00 0.00 H new ATOM 0 HA GLU A 38 24.484 6.229 1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 38 23.072 4.561 0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 38 21.989 5.813 -0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 38 24.272 6.762 -1.563 1.00 0.00 H new ATOM 0 HG3 GLU A 38 24.721 5.071 -1.467 1.00 0.00 H new ATOM 673 N ASP A 39 22.387 8.660 0.631 1.00 0.00 N ATOM 674 CA ASP A 39 22.278 10.059 0.233 1.00 0.00 C ATOM 675 C ASP A 39 22.775 10.981 1.341 1.00 0.00 C ATOM 676 O ASP A 39 23.204 12.106 1.082 1.00 0.00 O ATOM 677 CB ASP A 39 20.828 10.398 -0.117 1.00 0.00 C ATOM 678 CG ASP A 39 20.725 11.557 -1.090 1.00 0.00 C ATOM 679 OD1 ASP A 39 20.755 12.719 -0.636 1.00 0.00 O ATOM 680 OD2 ASP A 39 20.613 11.301 -2.308 1.00 0.00 O ATOM 0 H ASP A 39 21.551 8.282 1.077 1.00 0.00 H new ATOM 0 HA ASP A 39 22.903 10.211 -0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 39 20.346 9.521 -0.549 1.00 0.00 H new ATOM 0 HB3 ASP A 39 20.284 10.643 0.795 1.00 0.00 H new ATOM 685 N ASP A 40 22.716 10.497 2.578 1.00 0.00 N ATOM 686 CA ASP A 40 23.161 11.279 3.727 1.00 0.00 C ATOM 687 C ASP A 40 24.636 11.643 3.599 1.00 0.00 C ATOM 688 O ASP A 40 25.511 10.784 3.707 1.00 0.00 O ATOM 689 CB ASP A 40 22.927 10.499 5.022 1.00 0.00 C ATOM 690 CG ASP A 40 21.566 10.780 5.628 1.00 0.00 C ATOM 691 OD1 ASP A 40 20.614 11.030 4.860 1.00 0.00 O ATOM 692 OD2 ASP A 40 21.453 10.751 6.871 1.00 0.00 O ATOM 0 H ASP A 40 22.365 9.568 2.810 1.00 0.00 H new ATOM 0 HA ASP A 40 22.579 12.200 3.755 1.00 0.00 H new ATOM 0 HB2 ASP A 40 23.019 9.432 4.822 1.00 0.00 H new ATOM 0 HB3 ASP A 40 23.703 10.756 5.743 1.00 0.00 H new ATOM 697 N ASP A 41 24.906 12.924 3.367 1.00 0.00 N ATOM 698 CA ASP A 41 26.276 13.402 3.224 1.00 0.00 C ATOM 699 C ASP A 41 26.673 14.276 4.409 1.00 0.00 C ATOM 700 O ASP A 41 25.856 15.128 4.815 1.00 0.00 O ATOM 701 CB ASP A 41 26.431 14.189 1.921 1.00 0.00 C ATOM 702 CG ASP A 41 27.577 13.679 1.070 1.00 0.00 C ATOM 703 OD1 ASP A 41 28.548 13.140 1.643 1.00 0.00 O ATOM 704 OD2 ASP A 41 27.504 13.818 -0.169 1.00 0.00 O ATOM 705 OXT ASP A 41 27.799 14.100 4.922 1.00 0.00 O ATOM 0 H ASP A 41 24.194 13.649 3.274 1.00 0.00 H new ATOM 0 HA ASP A 41 26.936 12.535 3.197 1.00 0.00 H new ATOM 0 HB2 ASP A 41 25.504 14.129 1.351 1.00 0.00 H new ATOM 0 HB3 ASP A 41 26.595 15.241 2.153 1.00 0.00 H new TER 710 ASP A 41 ATOM 711 N ALA B 1 26.031 5.239 -7.823 1.00 0.00 N ATOM 712 CA ALA B 1 27.490 5.341 -8.082 1.00 0.00 C ATOM 713 C ALA B 1 28.271 4.373 -7.201 1.00 0.00 C ATOM 714 O ALA B 1 28.209 4.446 -5.973 1.00 0.00 O ATOM 715 CB ALA B 1 27.968 6.767 -7.850 1.00 0.00 C ATOM 0 H1 ALA B 1 25.522 5.908 -8.435 1.00 0.00 H new ATOM 0 H2 ALA B 1 25.709 4.271 -8.025 1.00 0.00 H new ATOM 0 H3 ALA B 1 25.839 5.466 -6.827 1.00 0.00 H new ATOM 0 HA ALA B 1 27.669 5.073 -9.123 1.00 0.00 H new ATOM 0 HB1 ALA B 1 29.039 6.828 -8.043 1.00 0.00 H new ATOM 0 HB2 ALA B 1 27.439 7.442 -8.523 1.00 0.00 H new ATOM 0 HB3 ALA B 1 27.769 7.054 -6.818 1.00 0.00 H new ATOM 723 N LEU B 2 29.007 3.465 -7.835 1.00 0.00 N ATOM 724 CA LEU B 2 29.800 2.482 -7.109 1.00 0.00 C ATOM 725 C LEU B 2 28.927 1.677 -6.151 1.00 0.00 C ATOM 726 O LEU B 2 27.783 2.044 -5.882 1.00 0.00 O ATOM 727 CB LEU B 2 30.923 3.174 -6.333 1.00 0.00 C ATOM 728 CG LEU B 2 31.750 4.173 -7.145 1.00 0.00 C ATOM 729 CD1 LEU B 2 32.136 3.577 -8.489 1.00 0.00 C ATOM 730 CD2 LEU B 2 30.979 5.470 -7.336 1.00 0.00 C ATOM 0 H LEU B 2 29.070 3.391 -8.850 1.00 0.00 H new ATOM 0 HA LEU B 2 30.237 1.798 -7.836 1.00 0.00 H new ATOM 0 HB2 LEU B 2 30.488 3.694 -5.480 1.00 0.00 H new ATOM 0 HB3 LEU B 2 31.592 2.411 -5.934 1.00 0.00 H new ATOM 0 HG LEU B 2 32.664 4.394 -6.593 1.00 0.00 H new ATOM 0 HD11 LEU B 2 32.724 4.301 -9.053 1.00 0.00 H new ATOM 0 HD12 LEU B 2 32.727 2.675 -8.331 1.00 0.00 H new ATOM 0 HD13 LEU B 2 31.235 3.327 -9.048 1.00 0.00 H new ATOM 0 HD21 LEU B 2 31.582 6.169 -7.915 1.00 0.00 H new ATOM 0 HD22 LEU B 2 30.049 5.266 -7.867 1.00 0.00 H new ATOM 0 HD23 LEU B 2 30.753 5.906 -6.363 1.00 0.00 H new ATOM 742 N LYS B 3 29.474 0.580 -5.639 1.00 0.00 N ATOM 743 CA LYS B 3 28.744 -0.277 -4.712 1.00 0.00 C ATOM 744 C LYS B 3 27.383 -0.661 -5.284 1.00 0.00 C ATOM 745 O LYS B 3 26.432 0.119 -5.226 1.00 0.00 O ATOM 746 CB LYS B 3 28.562 0.432 -3.367 1.00 0.00 C ATOM 747 CG LYS B 3 28.598 -0.510 -2.175 1.00 0.00 C ATOM 748 CD LYS B 3 29.317 0.118 -0.992 1.00 0.00 C ATOM 749 CE LYS B 3 28.667 1.429 -0.578 1.00 0.00 C ATOM 750 NZ LYS B 3 29.626 2.325 0.127 1.00 0.00 N ATOM 0 H LYS B 3 30.420 0.263 -5.850 1.00 0.00 H new ATOM 0 HA LYS B 3 29.325 -1.187 -4.561 1.00 0.00 H new ATOM 0 HB2 LYS B 3 29.345 1.181 -3.251 1.00 0.00 H new ATOM 0 HB3 LYS B 3 27.610 0.963 -3.371 1.00 0.00 H new ATOM 0 HG2 LYS B 3 27.580 -0.773 -1.886 1.00 0.00 H new ATOM 0 HG3 LYS B 3 29.099 -1.436 -2.457 1.00 0.00 H new ATOM 0 HD2 LYS B 3 29.310 -0.575 -0.151 1.00 0.00 H new ATOM 0 HD3 LYS B 3 30.361 0.294 -1.251 1.00 0.00 H new ATOM 0 HE2 LYS B 3 28.278 1.936 -1.461 1.00 0.00 H new ATOM 0 HE3 LYS B 3 27.817 1.223 0.072 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 29.145 3.208 0.393 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 29.978 1.851 0.983 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 30.425 2.542 -0.502 1.00 0.00 H new ATOM 764 N LYS B 4 27.296 -1.867 -5.834 1.00 0.00 N ATOM 765 CA LYS B 4 26.050 -2.352 -6.417 1.00 0.00 C ATOM 766 C LYS B 4 25.403 -3.409 -5.526 1.00 0.00 C ATOM 767 O LYS B 4 24.600 -4.219 -5.993 1.00 0.00 O ATOM 768 CB LYS B 4 26.303 -2.928 -7.810 1.00 0.00 C ATOM 769 CG LYS B 4 27.623 -3.674 -7.930 1.00 0.00 C ATOM 770 CD LYS B 4 27.835 -4.206 -9.338 1.00 0.00 C ATOM 771 CE LYS B 4 28.637 -3.232 -10.186 1.00 0.00 C ATOM 772 NZ LYS B 4 29.864 -2.764 -9.484 1.00 0.00 N ATOM 0 H LYS B 4 28.072 -2.526 -5.888 1.00 0.00 H new ATOM 0 HA LYS B 4 25.367 -1.507 -6.500 1.00 0.00 H new ATOM 0 HB2 LYS B 4 25.488 -3.605 -8.068 1.00 0.00 H new ATOM 0 HB3 LYS B 4 26.286 -2.117 -8.538 1.00 0.00 H new ATOM 0 HG2 LYS B 4 28.444 -3.008 -7.664 1.00 0.00 H new ATOM 0 HG3 LYS B 4 27.641 -4.501 -7.221 1.00 0.00 H new ATOM 0 HD2 LYS B 4 28.354 -5.163 -9.292 1.00 0.00 H new ATOM 0 HD3 LYS B 4 26.869 -4.390 -9.808 1.00 0.00 H new ATOM 0 HE2 LYS B 4 28.916 -3.712 -11.124 1.00 0.00 H new ATOM 0 HE3 LYS B 4 28.015 -2.374 -10.440 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 30.609 -2.566 -10.182 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 29.650 -1.897 -8.951 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 30.191 -3.502 -8.828 1.00 0.00 H new ATOM 786 N HIS B 5 25.751 -3.395 -4.244 1.00 0.00 N ATOM 787 CA HIS B 5 25.197 -4.349 -3.292 1.00 0.00 C ATOM 788 C HIS B 5 23.944 -3.781 -2.636 1.00 0.00 C ATOM 789 O HIS B 5 22.851 -4.338 -2.768 1.00 0.00 O ATOM 790 CB HIS B 5 26.235 -4.700 -2.224 1.00 0.00 C ATOM 791 CG HIS B 5 27.623 -4.845 -2.764 1.00 0.00 C ATOM 792 ND1 HIS B 5 28.296 -6.049 -2.795 1.00 0.00 N ATOM 793 CD2 HIS B 5 28.468 -3.931 -3.299 1.00 0.00 C ATOM 794 CE1 HIS B 5 29.494 -5.869 -3.324 1.00 0.00 C ATOM 795 NE2 HIS B 5 29.622 -4.593 -3.638 1.00 0.00 N ATOM 0 H HIS B 5 26.414 -2.733 -3.841 1.00 0.00 H new ATOM 0 HA HIS B 5 24.928 -5.257 -3.832 1.00 0.00 H new ATOM 0 HB2 HIS B 5 26.231 -3.926 -1.457 1.00 0.00 H new ATOM 0 HB3 HIS B 5 25.944 -5.631 -1.738 1.00 0.00 H new ATOM 0 HD2 HIS B 5 28.271 -2.878 -3.434 1.00 0.00 H new ATOM 0 HE1 HIS B 5 30.241 -6.635 -3.474 1.00 0.00 H new ATOM 0 HE2 HIS B 5 30.445 -4.168 -4.064 1.00 0.00 H new ATOM 804 N HIS B 6 24.107 -2.665 -1.933 1.00 0.00 N ATOM 805 CA HIS B 6 22.988 -2.019 -1.266 1.00 0.00 C ATOM 806 C HIS B 6 21.956 -1.556 -2.289 1.00 0.00 C ATOM 807 O HIS B 6 20.758 -1.573 -2.023 1.00 0.00 O ATOM 808 CB HIS B 6 23.475 -0.840 -0.417 1.00 0.00 C ATOM 809 CG HIS B 6 23.854 0.369 -1.215 1.00 0.00 C ATOM 810 ND1 HIS B 6 24.631 0.307 -2.352 1.00 0.00 N ATOM 811 CD2 HIS B 6 23.558 1.678 -1.034 1.00 0.00 C ATOM 812 CE1 HIS B 6 24.797 1.526 -2.836 1.00 0.00 C ATOM 813 NE2 HIS B 6 24.155 2.374 -2.055 1.00 0.00 N ATOM 0 H HIS B 6 25.002 -2.192 -1.812 1.00 0.00 H new ATOM 0 HA HIS B 6 22.515 -2.743 -0.603 1.00 0.00 H new ATOM 0 HB2 HIS B 6 22.691 -0.566 0.289 1.00 0.00 H new ATOM 0 HB3 HIS B 6 24.336 -1.160 0.170 1.00 0.00 H new ATOM 0 HD1 HIS B 6 25.017 -0.546 -2.757 1.00 0.00 H new ATOM 0 HD2 HIS B 6 22.963 2.096 -0.235 1.00 0.00 H new ATOM 0 HE1 HIS B 6 25.362 1.784 -3.720 1.00 0.00 H new ATOM 822 N GLU B 7 22.433 -1.155 -3.465 1.00 0.00 N ATOM 823 CA GLU B 7 21.554 -0.705 -4.533 1.00 0.00 C ATOM 824 C GLU B 7 20.697 -1.865 -5.030 1.00 0.00 C ATOM 825 O GLU B 7 19.584 -1.665 -5.514 1.00 0.00 O ATOM 826 CB GLU B 7 22.370 -0.123 -5.689 1.00 0.00 C ATOM 827 CG GLU B 7 22.338 1.395 -5.751 1.00 0.00 C ATOM 828 CD GLU B 7 21.450 1.915 -6.865 1.00 0.00 C ATOM 829 OE1 GLU B 7 20.232 2.066 -6.632 1.00 0.00 O ATOM 830 OE2 GLU B 7 21.973 2.170 -7.970 1.00 0.00 O ATOM 0 H GLU B 7 23.425 -1.134 -3.699 1.00 0.00 H new ATOM 0 HA GLU B 7 20.902 0.075 -4.140 1.00 0.00 H new ATOM 0 HB2 GLU B 7 23.405 -0.453 -5.595 1.00 0.00 H new ATOM 0 HB3 GLU B 7 21.991 -0.525 -6.629 1.00 0.00 H new ATOM 0 HG2 GLU B 7 21.985 1.786 -4.797 1.00 0.00 H new ATOM 0 HG3 GLU B 7 23.351 1.770 -5.894 1.00 0.00 H new ATOM 837 N ASN B 8 21.224 -3.080 -4.892 1.00 0.00 N ATOM 838 CA ASN B 8 20.505 -4.277 -5.311 1.00 0.00 C ATOM 839 C ASN B 8 19.310 -4.511 -4.397 1.00 0.00 C ATOM 840 O ASN B 8 18.162 -4.509 -4.842 1.00 0.00 O ATOM 841 CB ASN B 8 21.432 -5.494 -5.287 1.00 0.00 C ATOM 842 CG ASN B 8 21.894 -5.895 -6.674 1.00 0.00 C ATOM 843 OD1 ASN B 8 21.172 -5.725 -7.656 1.00 0.00 O ATOM 844 ND2 ASN B 8 23.105 -6.434 -6.761 1.00 0.00 N ATOM 0 H ASN B 8 22.146 -3.259 -4.493 1.00 0.00 H new ATOM 0 HA ASN B 8 20.150 -4.132 -6.331 1.00 0.00 H new ATOM 0 HB2 ASN B 8 22.301 -5.273 -4.667 1.00 0.00 H new ATOM 0 HB3 ASN B 8 20.914 -6.333 -4.823 1.00 0.00 H new ATOM 0 HD21 ASN B 8 23.470 -6.725 -7.668 1.00 0.00 H new ATOM 0 HD22 ASN B 8 23.670 -6.557 -5.921 1.00 0.00 H new ATOM 851 N GLU B 9 19.586 -4.687 -3.107 1.00 0.00 N ATOM 852 CA GLU B 9 18.527 -4.892 -2.127 1.00 0.00 C ATOM 853 C GLU B 9 17.638 -3.650 -2.040 1.00 0.00 C ATOM 854 O GLU B 9 16.514 -3.710 -1.543 1.00 0.00 O ATOM 855 CB GLU B 9 19.125 -5.207 -0.754 1.00 0.00 C ATOM 856 CG GLU B 9 18.092 -5.278 0.358 1.00 0.00 C ATOM 857 CD GLU B 9 18.261 -6.504 1.233 1.00 0.00 C ATOM 858 OE1 GLU B 9 19.393 -6.750 1.698 1.00 0.00 O ATOM 859 OE2 GLU B 9 17.260 -7.219 1.453 1.00 0.00 O ATOM 0 H GLU B 9 20.529 -4.692 -2.719 1.00 0.00 H new ATOM 0 HA GLU B 9 17.919 -5.738 -2.446 1.00 0.00 H new ATOM 0 HB2 GLU B 9 19.655 -6.158 -0.807 1.00 0.00 H new ATOM 0 HB3 GLU B 9 19.863 -4.444 -0.505 1.00 0.00 H new ATOM 0 HG2 GLU B 9 18.166 -4.383 0.975 1.00 0.00 H new ATOM 0 HG3 GLU B 9 17.093 -5.283 -0.079 1.00 0.00 H new ATOM 866 N ILE B 10 18.156 -2.526 -2.537 1.00 0.00 N ATOM 867 CA ILE B 10 17.429 -1.266 -2.532 1.00 0.00 C ATOM 868 C ILE B 10 16.446 -1.227 -3.705 1.00 0.00 C ATOM 869 O ILE B 10 15.386 -0.607 -3.621 1.00 0.00 O ATOM 870 CB ILE B 10 18.436 -0.074 -2.583 1.00 0.00 C ATOM 871 CG1 ILE B 10 18.886 0.284 -1.166 1.00 0.00 C ATOM 872 CG2 ILE B 10 17.874 1.167 -3.275 1.00 0.00 C ATOM 873 CD1 ILE B 10 19.896 1.409 -1.121 1.00 0.00 C ATOM 0 H ILE B 10 19.086 -2.468 -2.951 1.00 0.00 H new ATOM 0 HA ILE B 10 16.852 -1.177 -1.611 1.00 0.00 H new ATOM 0 HB ILE B 10 19.284 -0.408 -3.181 1.00 0.00 H new ATOM 0 HG12 ILE B 10 18.014 0.566 -0.576 1.00 0.00 H new ATOM 0 HG13 ILE B 10 19.317 -0.600 -0.696 1.00 0.00 H new ATOM 0 HG21 ILE B 10 18.626 1.956 -3.275 1.00 0.00 H new ATOM 0 HG22 ILE B 10 17.607 0.921 -4.303 1.00 0.00 H new ATOM 0 HG23 ILE B 10 16.988 1.511 -2.742 1.00 0.00 H new ATOM 0 HD11 ILE B 10 20.171 1.610 -0.086 1.00 0.00 H new ATOM 0 HD12 ILE B 10 20.785 1.123 -1.683 1.00 0.00 H new ATOM 0 HD13 ILE B 10 19.461 2.306 -1.562 1.00 0.00 H new ATOM 885 N SER B 11 16.804 -1.902 -4.791 1.00 0.00 N ATOM 886 CA SER B 11 15.953 -1.952 -5.971 1.00 0.00 C ATOM 887 C SER B 11 14.750 -2.848 -5.713 1.00 0.00 C ATOM 888 O SER B 11 13.640 -2.568 -6.169 1.00 0.00 O ATOM 889 CB SER B 11 16.740 -2.465 -7.178 1.00 0.00 C ATOM 890 OG SER B 11 15.975 -2.370 -8.368 1.00 0.00 O ATOM 0 H SER B 11 17.677 -2.422 -4.878 1.00 0.00 H new ATOM 0 HA SER B 11 15.603 -0.943 -6.188 1.00 0.00 H new ATOM 0 HB2 SER B 11 17.659 -1.890 -7.287 1.00 0.00 H new ATOM 0 HB3 SER B 11 17.031 -3.502 -7.012 1.00 0.00 H new ATOM 0 HG SER B 11 16.503 -2.703 -9.124 1.00 0.00 H new ATOM 896 N HIS B 12 14.977 -3.924 -4.967 1.00 0.00 N ATOM 897 CA HIS B 12 13.913 -4.858 -4.637 1.00 0.00 C ATOM 898 C HIS B 12 12.924 -4.199 -3.669 1.00 0.00 C ATOM 899 O HIS B 12 11.711 -4.239 -3.885 1.00 0.00 O ATOM 900 CB HIS B 12 14.525 -6.162 -4.071 1.00 0.00 C ATOM 901 CG HIS B 12 13.863 -6.718 -2.844 1.00 0.00 C ATOM 902 ND1 HIS B 12 12.807 -7.605 -2.888 1.00 0.00 N ATOM 903 CD2 HIS B 12 14.120 -6.507 -1.533 1.00 0.00 C ATOM 904 CE1 HIS B 12 12.444 -7.915 -1.656 1.00 0.00 C ATOM 905 NE2 HIS B 12 13.225 -7.261 -0.817 1.00 0.00 N ATOM 0 H HIS B 12 15.889 -4.169 -4.581 1.00 0.00 H new ATOM 0 HA HIS B 12 13.352 -5.125 -5.533 1.00 0.00 H new ATOM 0 HB2 HIS B 12 14.497 -6.922 -4.852 1.00 0.00 H new ATOM 0 HB3 HIS B 12 15.575 -5.978 -3.842 1.00 0.00 H new ATOM 0 HD2 HIS B 12 14.887 -5.865 -1.126 1.00 0.00 H new ATOM 0 HE1 HIS B 12 11.645 -8.588 -1.382 1.00 0.00 H new ATOM 0 HE2 HIS B 12 13.172 -7.308 0.201 1.00 0.00 H new ATOM 914 N HIS B 13 13.446 -3.581 -2.611 1.00 0.00 N ATOM 915 CA HIS B 13 12.593 -2.911 -1.639 1.00 0.00 C ATOM 916 C HIS B 13 11.779 -1.817 -2.315 1.00 0.00 C ATOM 917 O HIS B 13 10.649 -1.544 -1.923 1.00 0.00 O ATOM 918 CB HIS B 13 13.419 -2.298 -0.511 1.00 0.00 C ATOM 919 CG HIS B 13 14.221 -3.286 0.271 1.00 0.00 C ATOM 920 ND1 HIS B 13 13.839 -4.597 0.462 1.00 0.00 N ATOM 921 CD2 HIS B 13 15.391 -3.136 0.926 1.00 0.00 C ATOM 922 CE1 HIS B 13 14.743 -5.211 1.204 1.00 0.00 C ATOM 923 NE2 HIS B 13 15.696 -4.347 1.498 1.00 0.00 N ATOM 0 H HIS B 13 14.444 -3.532 -2.409 1.00 0.00 H new ATOM 0 HA HIS B 13 11.922 -3.659 -1.217 1.00 0.00 H new ATOM 0 HB2 HIS B 13 14.094 -1.554 -0.934 1.00 0.00 H new ATOM 0 HB3 HIS B 13 12.749 -1.772 0.169 1.00 0.00 H new ATOM 0 HD1 HIS B 13 12.992 -5.025 0.089 1.00 0.00 H new ATOM 0 HD2 HIS B 13 15.978 -2.232 0.989 1.00 0.00 H new ATOM 0 HE1 HIS B 13 14.708 -6.244 1.517 1.00 0.00 H new ATOM 932 N ALA B 14 12.365 -1.192 -3.333 1.00 0.00 N ATOM 933 CA ALA B 14 11.686 -0.128 -4.061 1.00 0.00 C ATOM 934 C ALA B 14 10.444 -0.665 -4.751 1.00 0.00 C ATOM 935 O ALA B 14 9.372 -0.068 -4.678 1.00 0.00 O ATOM 936 CB ALA B 14 12.627 0.511 -5.072 1.00 0.00 C ATOM 0 H ALA B 14 13.304 -1.404 -3.670 1.00 0.00 H new ATOM 0 HA ALA B 14 11.379 0.637 -3.348 1.00 0.00 H new ATOM 0 HB1 ALA B 14 12.103 1.303 -5.606 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.488 0.932 -4.552 1.00 0.00 H new ATOM 0 HB3 ALA B 14 12.965 -0.244 -5.782 1.00 0.00 H new ATOM 942 N LYS B 15 10.590 -1.811 -5.403 1.00 0.00 N ATOM 943 CA LYS B 15 9.467 -2.439 -6.082 1.00 0.00 C ATOM 944 C LYS B 15 8.467 -2.982 -5.063 1.00 0.00 C ATOM 945 O LYS B 15 7.323 -3.276 -5.404 1.00 0.00 O ATOM 946 CB LYS B 15 9.955 -3.566 -6.994 1.00 0.00 C ATOM 947 CG LYS B 15 10.526 -4.756 -6.239 1.00 0.00 C ATOM 948 CD LYS B 15 10.225 -6.064 -6.953 1.00 0.00 C ATOM 949 CE LYS B 15 11.422 -7.000 -6.930 1.00 0.00 C ATOM 950 NZ LYS B 15 11.320 -8.058 -7.972 1.00 0.00 N ATOM 0 H LYS B 15 11.470 -2.321 -5.475 1.00 0.00 H new ATOM 0 HA LYS B 15 8.970 -1.687 -6.694 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.126 -3.904 -7.615 1.00 0.00 H new ATOM 0 HB3 LYS B 15 10.717 -3.173 -7.667 1.00 0.00 H new ATOM 0 HG2 LYS B 15 11.604 -4.638 -6.133 1.00 0.00 H new ATOM 0 HG3 LYS B 15 10.108 -4.785 -5.233 1.00 0.00 H new ATOM 0 HD2 LYS B 15 9.372 -6.550 -6.479 1.00 0.00 H new ATOM 0 HD3 LYS B 15 9.942 -5.859 -7.985 1.00 0.00 H new ATOM 0 HE2 LYS B 15 12.335 -6.425 -7.085 1.00 0.00 H new ATOM 0 HE3 LYS B 15 11.500 -7.465 -5.947 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 12.156 -8.675 -7.923 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 10.462 -8.623 -7.810 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 11.271 -7.616 -8.912 1.00 0.00 H new ATOM 964 N GLU B 16 8.907 -3.117 -3.810 1.00 0.00 N ATOM 965 CA GLU B 16 8.048 -3.627 -2.749 1.00 0.00 C ATOM 966 C GLU B 16 7.089 -2.555 -2.239 1.00 0.00 C ATOM 967 O GLU B 16 5.905 -2.821 -2.047 1.00 0.00 O ATOM 968 CB GLU B 16 8.895 -4.163 -1.593 1.00 0.00 C ATOM 969 CG GLU B 16 8.746 -5.660 -1.373 1.00 0.00 C ATOM 970 CD GLU B 16 10.041 -6.317 -0.939 1.00 0.00 C ATOM 971 OE1 GLU B 16 11.104 -5.673 -1.065 1.00 0.00 O ATOM 972 OE2 GLU B 16 9.993 -7.476 -0.475 1.00 0.00 O ATOM 0 H GLU B 16 9.852 -2.880 -3.510 1.00 0.00 H new ATOM 0 HA GLU B 16 7.453 -4.439 -3.167 1.00 0.00 H new ATOM 0 HB2 GLU B 16 9.943 -3.935 -1.785 1.00 0.00 H new ATOM 0 HB3 GLU B 16 8.618 -3.640 -0.678 1.00 0.00 H new ATOM 0 HG2 GLU B 16 7.981 -5.838 -0.617 1.00 0.00 H new ATOM 0 HG3 GLU B 16 8.398 -6.126 -2.295 1.00 0.00 H new ATOM 979 N ILE B 17 7.594 -1.342 -2.020 1.00 0.00 N ATOM 980 CA ILE B 17 6.752 -0.254 -1.534 1.00 0.00 C ATOM 981 C ILE B 17 5.883 0.295 -2.661 1.00 0.00 C ATOM 982 O ILE B 17 4.764 0.755 -2.429 1.00 0.00 O ATOM 983 CB ILE B 17 7.596 0.889 -0.930 1.00 0.00 C ATOM 984 CG1 ILE B 17 6.693 2.041 -0.475 1.00 0.00 C ATOM 985 CG2 ILE B 17 8.629 1.376 -1.935 1.00 0.00 C ATOM 986 CD1 ILE B 17 7.448 3.297 -0.097 1.00 0.00 C ATOM 0 H ILE B 17 8.571 -1.091 -2.170 1.00 0.00 H new ATOM 0 HA ILE B 17 6.114 -0.662 -0.750 1.00 0.00 H new ATOM 0 HB ILE B 17 8.124 0.506 -0.057 1.00 0.00 H new ATOM 0 HG12 ILE B 17 5.991 2.277 -1.275 1.00 0.00 H new ATOM 0 HG13 ILE B 17 6.103 1.712 0.380 1.00 0.00 H new ATOM 0 HG21 ILE B 17 9.215 2.182 -1.493 1.00 0.00 H new ATOM 0 HG22 ILE B 17 9.290 0.553 -2.205 1.00 0.00 H new ATOM 0 HG23 ILE B 17 8.123 1.743 -2.828 1.00 0.00 H new ATOM 0 HD11 ILE B 17 6.741 4.067 0.214 1.00 0.00 H new ATOM 0 HD12 ILE B 17 8.131 3.078 0.724 1.00 0.00 H new ATOM 0 HD13 ILE B 17 8.016 3.652 -0.956 1.00 0.00 H new ATOM 998 N GLU B 18 6.401 0.232 -3.882 1.00 0.00 N ATOM 999 CA GLU B 18 5.669 0.712 -5.046 1.00 0.00 C ATOM 1000 C GLU B 18 4.632 -0.313 -5.490 1.00 0.00 C ATOM 1001 O GLU B 18 3.573 0.043 -6.010 1.00 0.00 O ATOM 1002 CB GLU B 18 6.632 1.012 -6.195 1.00 0.00 C ATOM 1003 CG GLU B 18 5.938 1.436 -7.478 1.00 0.00 C ATOM 1004 CD GLU B 18 5.722 0.279 -8.433 1.00 0.00 C ATOM 1005 OE1 GLU B 18 5.677 -0.878 -7.964 1.00 0.00 O ATOM 1006 OE2 GLU B 18 5.598 0.529 -9.651 1.00 0.00 O ATOM 0 H GLU B 18 7.325 -0.147 -4.091 1.00 0.00 H new ATOM 0 HA GLU B 18 5.153 1.631 -4.768 1.00 0.00 H new ATOM 0 HB2 GLU B 18 7.318 1.800 -5.886 1.00 0.00 H new ATOM 0 HB3 GLU B 18 7.234 0.125 -6.394 1.00 0.00 H new ATOM 0 HG2 GLU B 18 4.976 1.886 -7.235 1.00 0.00 H new ATOM 0 HG3 GLU B 18 6.533 2.204 -7.972 1.00 0.00 H new ATOM 1013 N ARG B 19 4.940 -1.590 -5.278 1.00 0.00 N ATOM 1014 CA ARG B 19 4.031 -2.664 -5.656 1.00 0.00 C ATOM 1015 C ARG B 19 2.860 -2.748 -4.687 1.00 0.00 C ATOM 1016 O ARG B 19 1.717 -2.961 -5.096 1.00 0.00 O ATOM 1017 CB ARG B 19 4.770 -4.002 -5.700 1.00 0.00 C ATOM 1018 CG ARG B 19 3.859 -5.192 -5.952 1.00 0.00 C ATOM 1019 CD ARG B 19 4.621 -6.360 -6.557 1.00 0.00 C ATOM 1020 NE ARG B 19 3.783 -7.547 -6.697 1.00 0.00 N ATOM 1021 CZ ARG B 19 3.517 -8.382 -5.697 1.00 0.00 C ATOM 1022 NH1 ARG B 19 4.024 -8.159 -4.492 1.00 0.00 N ATOM 1023 NH2 ARG B 19 2.745 -9.440 -5.902 1.00 0.00 N ATOM 0 H ARG B 19 5.810 -1.904 -4.848 1.00 0.00 H new ATOM 0 HA ARG B 19 3.643 -2.443 -6.650 1.00 0.00 H new ATOM 0 HB2 ARG B 19 5.528 -3.963 -6.482 1.00 0.00 H new ATOM 0 HB3 ARG B 19 5.294 -4.150 -4.756 1.00 0.00 H new ATOM 0 HG2 ARG B 19 3.398 -5.504 -5.015 1.00 0.00 H new ATOM 0 HG3 ARG B 19 3.051 -4.897 -6.622 1.00 0.00 H new ATOM 0 HD2 ARG B 19 5.008 -6.073 -7.534 1.00 0.00 H new ATOM 0 HD3 ARG B 19 5.481 -6.595 -5.930 1.00 0.00 H new ATOM 0 HE ARG B 19 3.379 -7.747 -7.612 1.00 0.00 H new ATOM 0 HH11 ARG B 19 4.619 -7.346 -4.331 1.00 0.00 H new ATOM 0 HH12 ARG B 19 3.819 -8.800 -3.726 1.00 0.00 H new ATOM 0 HH21 ARG B 19 2.354 -9.614 -6.828 1.00 0.00 H new ATOM 0 HH22 ARG B 19 2.542 -10.080 -5.134 1.00 0.00 H new ATOM 1037 N LEU B 20 3.143 -2.573 -3.400 1.00 0.00 N ATOM 1038 CA LEU B 20 2.099 -2.624 -2.390 1.00 0.00 C ATOM 1039 C LEU B 20 1.203 -1.400 -2.505 1.00 0.00 C ATOM 1040 O LEU B 20 -0.002 -1.476 -2.272 1.00 0.00 O ATOM 1041 CB LEU B 20 2.704 -2.710 -0.988 1.00 0.00 C ATOM 1042 CG LEU B 20 3.669 -3.877 -0.770 1.00 0.00 C ATOM 1043 CD1 LEU B 20 4.730 -3.507 0.256 1.00 0.00 C ATOM 1044 CD2 LEU B 20 2.910 -5.119 -0.330 1.00 0.00 C ATOM 0 H LEU B 20 4.080 -2.396 -3.037 1.00 0.00 H new ATOM 0 HA LEU B 20 1.499 -3.519 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.231 -1.779 -0.778 1.00 0.00 H new ATOM 0 HB3 LEU B 20 1.894 -2.788 -0.263 1.00 0.00 H new ATOM 0 HG LEU B 20 4.167 -4.095 -1.715 1.00 0.00 H new ATOM 0 HD11 LEU B 20 5.408 -4.349 0.398 1.00 0.00 H new ATOM 0 HD12 LEU B 20 5.293 -2.644 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU B 20 4.250 -3.263 1.204 1.00 0.00 H new ATOM 0 HD21 LEU B 20 3.611 -5.940 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.386 -4.914 0.603 1.00 0.00 H new ATOM 0 HD23 LEU B 20 2.188 -5.395 -1.098 1.00 0.00 H new ATOM 1056 N GLN B 21 1.801 -0.271 -2.874 1.00 0.00 N ATOM 1057 CA GLN B 21 1.057 0.971 -3.031 1.00 0.00 C ATOM 1058 C GLN B 21 0.029 0.839 -4.149 1.00 0.00 C ATOM 1059 O GLN B 21 -1.114 1.274 -4.009 1.00 0.00 O ATOM 1060 CB GLN B 21 2.009 2.130 -3.329 1.00 0.00 C ATOM 1061 CG GLN B 21 2.596 2.772 -2.083 1.00 0.00 C ATOM 1062 CD GLN B 21 1.812 3.989 -1.630 1.00 0.00 C ATOM 1063 OE1 GLN B 21 2.389 4.984 -1.191 1.00 0.00 O ATOM 1064 NE2 GLN B 21 0.491 3.914 -1.733 1.00 0.00 N ATOM 0 H GLN B 21 2.799 -0.192 -3.070 1.00 0.00 H new ATOM 0 HA GLN B 21 0.534 1.178 -2.097 1.00 0.00 H new ATOM 0 HB2 GLN B 21 2.822 1.768 -3.958 1.00 0.00 H new ATOM 0 HB3 GLN B 21 1.476 2.889 -3.902 1.00 0.00 H new ATOM 0 HG2 GLN B 21 2.619 2.038 -1.277 1.00 0.00 H new ATOM 0 HG3 GLN B 21 3.628 3.062 -2.280 1.00 0.00 H new ATOM 0 HE21 GLN B 21 0.055 3.069 -2.103 1.00 0.00 H new ATOM 0 HE22 GLN B 21 -0.089 4.701 -1.442 1.00 0.00 H new ATOM 1073 N LYS B 22 0.439 0.230 -5.258 1.00 0.00 N ATOM 1074 CA LYS B 22 -0.456 0.038 -6.393 1.00 0.00 C ATOM 1075 C LYS B 22 -1.648 -0.825 -5.994 1.00 0.00 C ATOM 1076 O LYS B 22 -2.794 -0.520 -6.333 1.00 0.00 O ATOM 1077 CB LYS B 22 0.294 -0.611 -7.558 1.00 0.00 C ATOM 1078 CG LYS B 22 -0.562 -0.807 -8.799 1.00 0.00 C ATOM 1079 CD LYS B 22 -0.137 -2.039 -9.580 1.00 0.00 C ATOM 1080 CE LYS B 22 -0.457 -3.317 -8.823 1.00 0.00 C ATOM 1081 NZ LYS B 22 -0.315 -4.524 -9.683 1.00 0.00 N ATOM 0 H LYS B 22 1.381 -0.137 -5.394 1.00 0.00 H new ATOM 0 HA LYS B 22 -0.822 1.014 -6.710 1.00 0.00 H new ATOM 0 HB2 LYS B 22 1.155 0.007 -7.814 1.00 0.00 H new ATOM 0 HB3 LYS B 22 0.680 -1.578 -7.237 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -1.608 -0.902 -8.509 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -0.487 0.073 -9.437 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -0.642 -2.051 -10.546 1.00 0.00 H new ATOM 0 HD3 LYS B 22 0.933 -1.992 -9.781 1.00 0.00 H new ATOM 0 HE2 LYS B 22 0.206 -3.405 -7.963 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -1.475 -3.265 -8.437 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -0.542 -5.374 -9.129 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -0.966 -4.453 -10.491 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 0.663 -4.589 -10.031 1.00 0.00 H new ATOM 1095 N GLU B 23 -1.370 -1.904 -5.271 1.00 0.00 N ATOM 1096 CA GLU B 23 -2.416 -2.814 -4.821 1.00 0.00 C ATOM 1097 C GLU B 23 -3.450 -2.081 -3.971 1.00 0.00 C ATOM 1098 O GLU B 23 -4.654 -2.304 -4.112 1.00 0.00 O ATOM 1099 CB GLU B 23 -1.808 -3.969 -4.021 1.00 0.00 C ATOM 1100 CG GLU B 23 -2.166 -5.341 -4.569 1.00 0.00 C ATOM 1101 CD GLU B 23 -1.545 -6.467 -3.766 1.00 0.00 C ATOM 1102 OE1 GLU B 23 -0.614 -6.193 -2.980 1.00 0.00 O ATOM 1103 OE2 GLU B 23 -1.990 -7.624 -3.923 1.00 0.00 O ATOM 0 H GLU B 23 -0.428 -2.170 -4.984 1.00 0.00 H new ATOM 0 HA GLU B 23 -2.916 -3.215 -5.703 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -0.723 -3.862 -4.011 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -2.144 -3.901 -2.986 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -3.250 -5.456 -4.572 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -1.835 -5.413 -5.605 1.00 0.00 H new ATOM 1110 N ILE B 24 -2.977 -1.204 -3.089 1.00 0.00 N ATOM 1111 CA ILE B 24 -3.874 -0.447 -2.225 1.00 0.00 C ATOM 1112 C ILE B 24 -4.753 0.482 -3.061 1.00 0.00 C ATOM 1113 O ILE B 24 -5.891 0.774 -2.697 1.00 0.00 O ATOM 1114 CB ILE B 24 -3.103 0.350 -1.129 1.00 0.00 C ATOM 1115 CG1 ILE B 24 -2.705 1.759 -1.593 1.00 0.00 C ATOM 1116 CG2 ILE B 24 -1.866 -0.413 -0.682 1.00 0.00 C ATOM 1117 CD1 ILE B 24 -3.607 2.840 -1.040 1.00 0.00 C ATOM 0 H ILE B 24 -1.986 -1.002 -2.955 1.00 0.00 H new ATOM 0 HA ILE B 24 -4.511 -1.162 -1.704 1.00 0.00 H new ATOM 0 HB ILE B 24 -3.787 0.463 -0.288 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -1.678 1.959 -1.288 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -2.727 1.797 -2.682 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -1.342 0.160 0.083 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -2.162 -1.379 -0.273 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -1.206 -0.568 -1.535 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -3.275 3.812 -1.404 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -4.631 2.661 -1.366 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -3.566 2.826 0.049 1.00 0.00 H new ATOM 1129 N GLU B 25 -4.210 0.934 -4.190 1.00 0.00 N ATOM 1130 CA GLU B 25 -4.939 1.817 -5.088 1.00 0.00 C ATOM 1131 C GLU B 25 -6.177 1.112 -5.621 1.00 0.00 C ATOM 1132 O GLU B 25 -7.270 1.678 -5.637 1.00 0.00 O ATOM 1133 CB GLU B 25 -4.044 2.257 -6.248 1.00 0.00 C ATOM 1134 CG GLU B 25 -4.706 3.261 -7.179 1.00 0.00 C ATOM 1135 CD GLU B 25 -4.311 3.058 -8.628 1.00 0.00 C ATOM 1136 OE1 GLU B 25 -3.228 2.489 -8.876 1.00 0.00 O ATOM 1137 OE2 GLU B 25 -5.088 3.468 -9.518 1.00 0.00 O ATOM 0 H GLU B 25 -3.267 0.701 -4.502 1.00 0.00 H new ATOM 0 HA GLU B 25 -5.247 2.702 -4.532 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.130 2.694 -5.846 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -3.751 1.379 -6.823 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -5.789 3.178 -7.086 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -4.436 4.271 -6.870 1.00 0.00 H new ATOM 1144 N ARG B 26 -5.999 -0.136 -6.045 1.00 0.00 N ATOM 1145 CA ARG B 26 -7.107 -0.927 -6.564 1.00 0.00 C ATOM 1146 C ARG B 26 -8.212 -1.027 -5.520 1.00 0.00 C ATOM 1147 O ARG B 26 -9.380 -0.748 -5.803 1.00 0.00 O ATOM 1148 CB ARG B 26 -6.627 -2.325 -6.957 1.00 0.00 C ATOM 1149 CG ARG B 26 -7.243 -2.840 -8.248 1.00 0.00 C ATOM 1150 CD ARG B 26 -7.496 -4.337 -8.187 1.00 0.00 C ATOM 1151 NE ARG B 26 -6.294 -5.108 -8.486 1.00 0.00 N ATOM 1152 CZ ARG B 26 -6.256 -6.436 -8.501 1.00 0.00 C ATOM 1153 NH1 ARG B 26 -7.351 -7.136 -8.234 1.00 0.00 N ATOM 1154 NH2 ARG B 26 -5.125 -7.067 -8.782 1.00 0.00 N ATOM 0 H ARG B 26 -5.101 -0.619 -6.039 1.00 0.00 H new ATOM 0 HA ARG B 26 -7.502 -0.433 -7.452 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -5.542 -2.311 -7.062 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -6.860 -3.020 -6.150 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -8.181 -2.319 -8.438 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -6.580 -2.616 -9.083 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -7.859 -4.603 -7.194 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -8.281 -4.601 -8.895 1.00 0.00 H new ATOM 0 HE ARG B 26 -5.435 -4.599 -8.695 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -8.224 -6.655 -8.017 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -7.320 -8.155 -8.246 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -4.281 -6.533 -8.988 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -5.099 -8.087 -8.793 1.00 0.00 H new ATOM 1168 N HIS B 27 -7.833 -1.412 -4.304 1.00 0.00 N ATOM 1169 CA HIS B 27 -8.791 -1.531 -3.214 1.00 0.00 C ATOM 1170 C HIS B 27 -9.362 -0.162 -2.849 1.00 0.00 C ATOM 1171 O HIS B 27 -10.424 -0.067 -2.235 1.00 0.00 O ATOM 1172 CB HIS B 27 -8.128 -2.164 -1.989 1.00 0.00 C ATOM 1173 CG HIS B 27 -8.335 -3.644 -1.898 1.00 0.00 C ATOM 1174 ND1 HIS B 27 -9.582 -4.233 -1.920 1.00 0.00 N ATOM 1175 CD2 HIS B 27 -7.445 -4.659 -1.785 1.00 0.00 C ATOM 1176 CE1 HIS B 27 -9.450 -5.545 -1.823 1.00 0.00 C ATOM 1177 NE2 HIS B 27 -8.164 -5.828 -1.741 1.00 0.00 N ATOM 0 H HIS B 27 -6.873 -1.646 -4.052 1.00 0.00 H new ATOM 0 HA HIS B 27 -9.607 -2.173 -3.545 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -7.058 -1.955 -2.016 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -8.522 -1.694 -1.088 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -6.370 -4.566 -1.738 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -10.257 -6.263 -1.813 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -7.768 -6.764 -1.658 1.00 0.00 H new ATOM 1186 N LYS B 28 -8.650 0.897 -3.234 1.00 0.00 N ATOM 1187 CA LYS B 28 -9.086 2.258 -2.950 1.00 0.00 C ATOM 1188 C LYS B 28 -10.143 2.706 -3.952 1.00 0.00 C ATOM 1189 O LYS B 28 -10.975 3.560 -3.652 1.00 0.00 O ATOM 1190 CB LYS B 28 -7.894 3.216 -2.989 1.00 0.00 C ATOM 1191 CG LYS B 28 -8.257 4.653 -2.652 1.00 0.00 C ATOM 1192 CD LYS B 28 -7.122 5.607 -2.989 1.00 0.00 C ATOM 1193 CE LYS B 28 -7.447 6.449 -4.211 1.00 0.00 C ATOM 1194 NZ LYS B 28 -6.956 7.848 -4.069 1.00 0.00 N ATOM 0 H LYS B 28 -7.769 0.835 -3.744 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.523 2.274 -1.952 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -7.136 2.868 -2.288 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -7.447 3.186 -3.983 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -9.152 4.942 -3.202 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -8.496 4.730 -1.591 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -6.929 6.259 -2.137 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -6.209 5.039 -3.169 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -6.998 5.995 -5.094 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.525 6.457 -4.370 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -7.198 8.389 -4.924 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -7.403 8.291 -3.241 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -5.924 7.843 -3.943 1.00 0.00 H new ATOM 1208 N GLN B 29 -10.104 2.120 -5.144 1.00 0.00 N ATOM 1209 CA GLN B 29 -11.062 2.456 -6.189 1.00 0.00 C ATOM 1210 C GLN B 29 -12.406 1.794 -5.912 1.00 0.00 C ATOM 1211 O GLN B 29 -13.461 2.388 -6.135 1.00 0.00 O ATOM 1212 CB GLN B 29 -10.534 2.018 -7.556 1.00 0.00 C ATOM 1213 CG GLN B 29 -11.303 2.613 -8.724 1.00 0.00 C ATOM 1214 CD GLN B 29 -11.184 1.781 -9.986 1.00 0.00 C ATOM 1215 OE1 GLN B 29 -11.793 0.718 -10.102 1.00 0.00 O ATOM 1216 NE2 GLN B 29 -10.395 2.261 -10.940 1.00 0.00 N ATOM 0 H GLN B 29 -9.420 1.411 -5.409 1.00 0.00 H new ATOM 0 HA GLN B 29 -11.199 3.537 -6.195 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -9.485 2.303 -7.639 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -10.575 0.931 -7.621 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -12.355 2.706 -8.452 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -10.935 3.620 -8.921 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -9.909 3.147 -10.802 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -10.275 1.744 -11.811 1.00 0.00 H new ATOM 1225 N SER B 30 -12.357 0.561 -5.418 1.00 0.00 N ATOM 1226 CA SER B 30 -13.572 -0.182 -5.104 1.00 0.00 C ATOM 1227 C SER B 30 -14.246 0.381 -3.857 1.00 0.00 C ATOM 1228 O SER B 30 -15.470 0.505 -3.803 1.00 0.00 O ATOM 1229 CB SER B 30 -13.251 -1.664 -4.902 1.00 0.00 C ATOM 1230 OG SER B 30 -14.222 -2.487 -5.526 1.00 0.00 O ATOM 0 H SER B 30 -11.491 0.056 -5.227 1.00 0.00 H new ATOM 0 HA SER B 30 -14.259 -0.079 -5.944 1.00 0.00 H new ATOM 0 HB2 SER B 30 -12.265 -1.885 -5.312 1.00 0.00 H new ATOM 0 HB3 SER B 30 -13.211 -1.888 -3.836 1.00 0.00 H new ATOM 0 HG SER B 30 -13.993 -3.429 -5.383 1.00 0.00 H new ATOM 1236 N ILE B 31 -13.440 0.721 -2.855 1.00 0.00 N ATOM 1237 CA ILE B 31 -13.961 1.270 -1.609 1.00 0.00 C ATOM 1238 C ILE B 31 -14.365 2.729 -1.783 1.00 0.00 C ATOM 1239 O ILE B 31 -15.246 3.228 -1.084 1.00 0.00 O ATOM 1240 CB ILE B 31 -12.922 1.156 -0.478 1.00 0.00 C ATOM 1241 CG1 ILE B 31 -13.476 1.716 0.832 1.00 0.00 C ATOM 1242 CG2 ILE B 31 -11.640 1.877 -0.861 1.00 0.00 C ATOM 1243 CD1 ILE B 31 -14.397 0.760 1.553 1.00 0.00 C ATOM 0 H ILE B 31 -12.425 0.626 -2.882 1.00 0.00 H new ATOM 0 HA ILE B 31 -14.842 0.688 -1.340 1.00 0.00 H new ATOM 0 HB ILE B 31 -12.698 0.100 -0.329 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -12.645 1.973 1.489 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -14.015 2.640 0.624 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -10.916 1.787 -0.051 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -11.229 1.431 -1.767 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -11.855 2.930 -1.040 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -14.753 1.222 2.474 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -15.247 0.522 0.914 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -13.856 -0.156 1.792 1.00 0.00 H new ATOM 1255 N LYS B 32 -13.721 3.406 -2.728 1.00 0.00 N ATOM 1256 CA LYS B 32 -14.022 4.805 -3.002 1.00 0.00 C ATOM 1257 C LYS B 32 -15.263 4.924 -3.880 1.00 0.00 C ATOM 1258 O LYS B 32 -15.957 5.940 -3.857 1.00 0.00 O ATOM 1259 CB LYS B 32 -12.833 5.483 -3.685 1.00 0.00 C ATOM 1260 CG LYS B 32 -13.106 6.921 -4.096 1.00 0.00 C ATOM 1261 CD LYS B 32 -11.898 7.545 -4.775 1.00 0.00 C ATOM 1262 CE LYS B 32 -11.414 6.697 -5.941 1.00 0.00 C ATOM 1263 NZ LYS B 32 -10.415 7.421 -6.776 1.00 0.00 N ATOM 0 H LYS B 32 -12.988 3.008 -3.316 1.00 0.00 H new ATOM 0 HA LYS B 32 -14.215 5.304 -2.053 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -11.977 5.463 -3.010 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -12.556 4.908 -4.568 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -13.961 6.951 -4.772 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -13.374 7.507 -3.217 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -12.155 8.543 -5.131 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -11.092 7.663 -4.050 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -10.971 5.776 -5.561 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -12.265 6.410 -6.559 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -10.110 6.810 -7.560 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -10.845 8.287 -7.159 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -9.592 7.673 -6.192 1.00 0.00 H new ATOM 1277 N LYS B 33 -15.538 3.875 -4.651 1.00 0.00 N ATOM 1278 CA LYS B 33 -16.696 3.857 -5.534 1.00 0.00 C ATOM 1279 C LYS B 33 -17.974 3.585 -4.748 1.00 0.00 C ATOM 1280 O LYS B 33 -19.010 4.204 -4.996 1.00 0.00 O ATOM 1281 CB LYS B 33 -16.518 2.799 -6.624 1.00 0.00 C ATOM 1282 CG LYS B 33 -15.720 3.286 -7.821 1.00 0.00 C ATOM 1283 CD LYS B 33 -15.319 2.135 -8.730 1.00 0.00 C ATOM 1284 CE LYS B 33 -15.697 2.410 -10.176 1.00 0.00 C ATOM 1285 NZ LYS B 33 -17.160 2.252 -10.407 1.00 0.00 N ATOM 0 H LYS B 33 -14.973 3.027 -4.681 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.780 4.838 -6.002 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -16.020 1.929 -6.196 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -17.500 2.470 -6.963 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -16.312 4.007 -8.385 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -14.827 3.807 -7.476 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -14.244 1.971 -8.659 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -15.804 1.219 -8.394 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -15.394 3.422 -10.444 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -15.151 1.730 -10.830 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -17.377 2.448 -11.405 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -17.445 1.279 -10.175 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -17.681 2.918 -9.802 1.00 0.00 H new ATOM 1299 N LEU B 34 -17.897 2.658 -3.797 1.00 0.00 N ATOM 1300 CA LEU B 34 -19.053 2.312 -2.978 1.00 0.00 C ATOM 1301 C LEU B 34 -19.317 3.389 -1.932 1.00 0.00 C ATOM 1302 O LEU B 34 -20.464 3.638 -1.559 1.00 0.00 O ATOM 1303 CB LEU B 34 -18.840 0.960 -2.296 1.00 0.00 C ATOM 1304 CG LEU B 34 -20.030 0.003 -2.373 1.00 0.00 C ATOM 1305 CD1 LEU B 34 -19.738 -1.277 -1.606 1.00 0.00 C ATOM 1306 CD2 LEU B 34 -21.288 0.672 -1.838 1.00 0.00 C ATOM 0 H LEU B 34 -17.050 2.135 -3.576 1.00 0.00 H new ATOM 0 HA LEU B 34 -19.922 2.244 -3.632 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -17.974 0.475 -2.746 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -18.599 1.133 -1.247 1.00 0.00 H new ATOM 0 HG LEU B 34 -20.196 -0.255 -3.419 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -20.597 -1.945 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -18.863 -1.766 -2.034 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -19.544 -1.038 -0.560 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -22.125 -0.024 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -21.133 0.960 -0.798 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -21.509 1.559 -2.431 1.00 0.00 H new ATOM 1318 N LYS B 35 -18.250 4.027 -1.464 1.00 0.00 N ATOM 1319 CA LYS B 35 -18.369 5.081 -0.463 1.00 0.00 C ATOM 1320 C LYS B 35 -18.739 6.407 -1.118 1.00 0.00 C ATOM 1321 O LYS B 35 -19.348 7.273 -0.489 1.00 0.00 O ATOM 1322 CB LYS B 35 -17.059 5.229 0.313 1.00 0.00 C ATOM 1323 CG LYS B 35 -17.097 6.322 1.369 1.00 0.00 C ATOM 1324 CD LYS B 35 -15.700 6.806 1.721 1.00 0.00 C ATOM 1325 CE LYS B 35 -15.305 8.019 0.893 1.00 0.00 C ATOM 1326 NZ LYS B 35 -13.882 7.958 0.462 1.00 0.00 N ATOM 0 H LYS B 35 -17.294 3.833 -1.761 1.00 0.00 H new ATOM 0 HA LYS B 35 -19.162 4.803 0.231 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -16.822 4.280 0.793 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -16.253 5.442 -0.389 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -17.692 7.160 1.006 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -17.589 5.946 2.266 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -15.657 7.058 2.781 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -14.983 6.002 1.555 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -15.948 8.084 0.015 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -15.469 8.925 1.476 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -13.653 8.803 -0.100 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -13.267 7.922 1.300 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -13.730 7.107 -0.116 1.00 0.00 H new ATOM 1340 N GLN B 36 -18.370 6.557 -2.385 1.00 0.00 N ATOM 1341 CA GLN B 36 -18.666 7.775 -3.129 1.00 0.00 C ATOM 1342 C GLN B 36 -20.093 7.747 -3.668 1.00 0.00 C ATOM 1343 O GLN B 36 -20.702 8.792 -3.896 1.00 0.00 O ATOM 1344 CB GLN B 36 -17.676 7.947 -4.283 1.00 0.00 C ATOM 1345 CG GLN B 36 -17.968 9.154 -5.160 1.00 0.00 C ATOM 1346 CD GLN B 36 -16.762 9.596 -5.964 1.00 0.00 C ATOM 1347 OE1 GLN B 36 -16.540 10.789 -6.170 1.00 0.00 O ATOM 1348 NE2 GLN B 36 -15.972 8.631 -6.425 1.00 0.00 N ATOM 0 H GLN B 36 -17.865 5.850 -2.919 1.00 0.00 H new ATOM 0 HA GLN B 36 -18.569 8.621 -2.448 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -16.669 8.039 -3.876 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -17.690 7.048 -4.900 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -18.786 8.915 -5.840 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -18.305 9.980 -4.534 1.00 0.00 H new ATOM 0 HE21 GLN B 36 -16.193 7.654 -6.231 1.00 0.00 H new ATOM 0 HE22 GLN B 36 -15.145 8.867 -6.973 1.00 0.00 H new ATOM 1357 N SER B 37 -20.619 6.543 -3.869 1.00 0.00 N ATOM 1358 CA SER B 37 -21.975 6.378 -4.379 1.00 0.00 C ATOM 1359 C SER B 37 -23.002 6.588 -3.272 1.00 0.00 C ATOM 1360 O SER B 37 -24.144 6.967 -3.535 1.00 0.00 O ATOM 1361 CB SER B 37 -22.145 4.985 -4.990 1.00 0.00 C ATOM 1362 OG SER B 37 -21.738 4.969 -6.349 1.00 0.00 O ATOM 0 H SER B 37 -20.127 5.668 -3.687 1.00 0.00 H new ATOM 0 HA SER B 37 -22.141 7.130 -5.151 1.00 0.00 H new ATOM 0 HB2 SER B 37 -21.558 4.262 -4.423 1.00 0.00 H new ATOM 0 HB3 SER B 37 -23.188 4.677 -4.916 1.00 0.00 H new ATOM 0 HG SER B 37 -20.796 4.706 -6.405 1.00 0.00 H new ATOM 1368 N GLU B 38 -22.589 6.344 -2.033 1.00 0.00 N ATOM 1369 CA GLU B 38 -23.474 6.507 -0.885 1.00 0.00 C ATOM 1370 C GLU B 38 -23.496 7.959 -0.419 1.00 0.00 C ATOM 1371 O GLU B 38 -24.497 8.435 0.117 1.00 0.00 O ATOM 1372 CB GLU B 38 -23.030 5.597 0.262 1.00 0.00 C ATOM 1373 CG GLU B 38 -23.870 5.751 1.519 1.00 0.00 C ATOM 1374 CD GLU B 38 -23.083 5.469 2.784 1.00 0.00 C ATOM 1375 OE1 GLU B 38 -22.033 4.799 2.693 1.00 0.00 O ATOM 1376 OE2 GLU B 38 -23.517 5.919 3.866 1.00 0.00 O ATOM 0 H GLU B 38 -21.647 6.033 -1.798 1.00 0.00 H new ATOM 0 HA GLU B 38 -24.482 6.227 -1.191 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -23.074 4.560 -0.070 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -21.989 5.811 0.502 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -24.270 6.764 1.562 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -24.722 5.074 1.467 1.00 0.00 H new ATOM 1383 N ASP B 39 -22.385 8.659 -0.626 1.00 0.00 N ATOM 1384 CA ASP B 39 -22.277 10.057 -0.227 1.00 0.00 C ATOM 1385 C ASP B 39 -22.775 10.981 -1.335 1.00 0.00 C ATOM 1386 O ASP B 39 -23.205 12.104 -1.074 1.00 0.00 O ATOM 1387 CB ASP B 39 -20.827 10.398 0.123 1.00 0.00 C ATOM 1388 CG ASP B 39 -20.724 11.555 1.097 1.00 0.00 C ATOM 1389 OD1 ASP B 39 -20.755 12.718 0.644 1.00 0.00 O ATOM 1390 OD2 ASP B 39 -20.612 11.296 2.315 1.00 0.00 O ATOM 0 H ASP B 39 -21.547 8.281 -1.068 1.00 0.00 H new ATOM 0 HA ASP B 39 -22.902 10.206 0.653 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -20.344 9.521 0.553 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -20.284 10.645 -0.789 1.00 0.00 H new ATOM 1395 N ASP B 40 -22.715 10.498 -2.572 1.00 0.00 N ATOM 1396 CA ASP B 40 -23.160 11.280 -3.719 1.00 0.00 C ATOM 1397 C ASP B 40 -24.636 11.644 -3.590 1.00 0.00 C ATOM 1398 O ASP B 40 -25.510 10.783 -3.699 1.00 0.00 O ATOM 1399 CB ASP B 40 -22.926 10.502 -5.015 1.00 0.00 C ATOM 1400 CG ASP B 40 -21.567 10.783 -5.621 1.00 0.00 C ATOM 1401 OD1 ASP B 40 -20.614 11.030 -4.853 1.00 0.00 O ATOM 1402 OD2 ASP B 40 -21.453 10.754 -6.864 1.00 0.00 O ATOM 0 H ASP B 40 -22.363 9.570 -2.805 1.00 0.00 H new ATOM 0 HA ASP B 40 -22.578 12.201 -3.747 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -23.018 9.434 -4.816 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -23.702 10.760 -5.735 1.00 0.00 H new ATOM 1407 N ASP B 41 -24.907 12.925 -3.358 1.00 0.00 N ATOM 1408 CA ASP B 41 -26.276 13.402 -3.214 1.00 0.00 C ATOM 1409 C ASP B 41 -26.675 14.277 -4.398 1.00 0.00 C ATOM 1410 O ASP B 41 -25.858 15.130 -4.804 1.00 0.00 O ATOM 1411 CB ASP B 41 -26.430 14.188 -1.911 1.00 0.00 C ATOM 1412 CG ASP B 41 -27.577 13.677 -1.060 1.00 0.00 C ATOM 1413 OD1 ASP B 41 -28.547 13.140 -1.633 1.00 0.00 O ATOM 1414 OD2 ASP B 41 -27.504 13.816 0.179 1.00 0.00 O ATOM 1415 OXT ASP B 41 -27.800 14.101 -4.910 1.00 0.00 O ATOM 0 H ASP B 41 -24.196 13.650 -3.266 1.00 0.00 H new ATOM 0 HA ASP B 41 -26.935 12.534 -3.188 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -25.503 14.127 -1.341 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -26.593 15.241 -2.142 1.00 0.00 H new TER 1420 ASP B 41