USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=14 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 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 36 GLN : amide:sc= -0.275 K(o=-0.28,f=-2.1!) USER MOD Set 2.1: B 12 HIS :FLIP no HD1:sc= -3.87 F(o=-14!,f=-12) USER MOD Set 2.2: B 13 HIS : no HD1:sc= -8.38! C(o=-12!,f=-15!) USER MOD Set 3.1: A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 36 GLN : amide:sc= -0.262 K(o=-0.26,f=-2!) USER MOD Set 4.1: A 12 HIS :FLIP no HD1:sc= -3.96 F(o=-14!,f=-12) USER MOD Set 4.2: A 13 HIS : no HD1:sc= -8.39! C(o=-12!,f=-15!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS :FLIP no HD1:sc= -1.15 F(o=-3.4!,f=-1.1) USER MOD Single : A 6 HIS : no HD1:sc= -0.292 X(o=-0.29,f=-0.68) USER MOD Single : A 8 ASN : amide:sc= -0.475 K(o=-0.48,f=-3.2!) USER MOD Single : A 11 SER OG : rot -57:sc= 0.55 USER MOD Single : A 15 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.045) USER MOD Single : A 21 GLN : amide:sc= -0.025 X(o=-0.025,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -7.84! C(o=-7.8!,f=-7.7!) USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= -0.058 (180deg=-0.206) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 30 SER OG : rot 10:sc= 0.102 USER MOD Single : A 32 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 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 HIS :FLIP no HD1:sc= -1.1 F(o=-3.4!,f=-1.1) USER MOD Single : B 6 HIS : no HD1:sc= -0.214 K(o=-0.21,f=-0.84) USER MOD Single : B 8 ASN : amide:sc= -0.296 K(o=-0.3,f=-3.1!) USER MOD Single : B 11 SER OG : rot -57:sc= 0.566 USER MOD Single : B 15 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0472) USER MOD Single : B 21 GLN : amide:sc= -0.0308 X(o=-0.031,f=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= -7.94! C(o=-7.9!,f=-7.8!) USER MOD Single : B 28 LYS NZ :NH3+ -171:sc= -0.0582 (180deg=-0.201) USER MOD Single : B 29 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : B 30 SER OG : rot 10:sc= 0.085 USER MOD Single : B 32 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 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -32.131 -8.935 5.218 1.00 0.00 N ATOM 2 CA ALA A 1 -30.781 -9.102 4.620 1.00 0.00 C ATOM 3 C ALA A 1 -30.846 -9.049 3.098 1.00 0.00 C ATOM 4 O ALA A 1 -30.790 -10.080 2.428 1.00 0.00 O ATOM 5 CB ALA A 1 -30.162 -10.415 5.076 1.00 0.00 C ATOM 0 H1 ALA A 1 -32.059 -8.975 6.255 1.00 0.00 H new ATOM 0 H2 ALA A 1 -32.525 -8.016 4.934 1.00 0.00 H new ATOM 0 H3 ALA A 1 -32.755 -9.697 4.885 1.00 0.00 H new ATOM 0 HA ALA A 1 -30.154 -8.278 4.961 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -29.173 -10.525 4.631 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -30.073 -10.417 6.162 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -30.796 -11.244 4.762 1.00 0.00 H new ATOM 13 N LEU A 2 -30.964 -7.841 2.557 1.00 0.00 N ATOM 14 CA LEU A 2 -31.037 -7.654 1.113 1.00 0.00 C ATOM 15 C LEU A 2 -29.837 -6.859 0.606 1.00 0.00 C ATOM 16 O LEU A 2 -29.140 -7.287 -0.314 1.00 0.00 O ATOM 17 CB LEU A 2 -32.334 -6.937 0.734 1.00 0.00 C ATOM 18 CG LEU A 2 -33.017 -7.458 -0.531 1.00 0.00 C ATOM 19 CD1 LEU A 2 -33.977 -8.588 -0.193 1.00 0.00 C ATOM 20 CD2 LEU A 2 -33.748 -6.331 -1.244 1.00 0.00 C ATOM 0 H LEU A 2 -31.011 -6.977 3.097 1.00 0.00 H new ATOM 0 HA LEU A 2 -31.024 -8.638 0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -33.033 -7.020 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -32.120 -5.876 0.602 1.00 0.00 H new ATOM 0 HG LEU A 2 -32.250 -7.848 -1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -34.454 -8.946 -1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -33.427 -9.405 0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -34.739 -8.224 0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -34.228 -6.720 -2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -34.504 -5.911 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -33.036 -5.553 -1.521 1.00 0.00 H new ATOM 32 N LYS A 3 -29.602 -5.701 1.213 1.00 0.00 N ATOM 33 CA LYS A 3 -28.486 -4.847 0.824 1.00 0.00 C ATOM 34 C LYS A 3 -27.580 -4.558 2.016 1.00 0.00 C ATOM 35 O LYS A 3 -26.888 -3.540 2.051 1.00 0.00 O ATOM 36 CB LYS A 3 -29.003 -3.534 0.232 1.00 0.00 C ATOM 37 CG LYS A 3 -28.853 -3.447 -1.278 1.00 0.00 C ATOM 38 CD LYS A 3 -30.203 -3.324 -1.966 1.00 0.00 C ATOM 39 CE LYS A 3 -31.003 -2.152 -1.418 1.00 0.00 C ATOM 40 NZ LYS A 3 -31.704 -1.405 -2.499 1.00 0.00 N ATOM 0 H LYS A 3 -30.169 -5.332 1.976 1.00 0.00 H new ATOM 0 HA LYS A 3 -27.904 -5.375 0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -30.055 -3.417 0.492 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -28.468 -2.703 0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -28.233 -2.588 -1.534 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -28.336 -4.334 -1.645 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -30.056 -3.196 -3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -30.767 -4.247 -1.830 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -31.734 -2.517 -0.696 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -30.336 -1.476 -0.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -32.238 -0.614 -2.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -31.005 -1.035 -3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -32.359 -2.043 -2.994 1.00 0.00 H new ATOM 54 N LYS A 4 -27.588 -5.460 2.992 1.00 0.00 N ATOM 55 CA LYS A 4 -26.767 -5.301 4.187 1.00 0.00 C ATOM 56 C LYS A 4 -25.366 -5.861 3.963 1.00 0.00 C ATOM 57 O LYS A 4 -24.408 -5.440 4.610 1.00 0.00 O ATOM 58 CB LYS A 4 -27.423 -6.000 5.379 1.00 0.00 C ATOM 59 CG LYS A 4 -27.453 -7.515 5.255 1.00 0.00 C ATOM 60 CD LYS A 4 -26.246 -8.152 5.925 1.00 0.00 C ATOM 61 CE LYS A 4 -26.352 -9.668 5.938 1.00 0.00 C ATOM 62 NZ LYS A 4 -25.493 -10.276 6.991 1.00 0.00 N ATOM 0 H LYS A 4 -28.154 -6.309 2.979 1.00 0.00 H new ATOM 0 HA LYS A 4 -26.683 -4.235 4.400 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -26.887 -5.729 6.289 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -28.443 -5.632 5.489 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -28.367 -7.900 5.707 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -27.476 -7.795 4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -25.338 -7.854 5.401 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -26.159 -7.783 6.947 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -27.390 -9.958 6.104 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -26.063 -10.060 4.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -25.594 -11.311 6.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -24.500 -10.021 6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -25.785 -9.922 7.924 1.00 0.00 H new ATOM 76 N HIS A 5 -25.255 -6.814 3.042 1.00 0.00 N ATOM 77 CA HIS A 5 -23.970 -7.431 2.733 1.00 0.00 C ATOM 78 C HIS A 5 -22.992 -6.404 2.172 1.00 0.00 C ATOM 79 O HIS A 5 -21.778 -6.539 2.326 1.00 0.00 O ATOM 80 CB HIS A 5 -24.157 -8.574 1.733 1.00 0.00 C ATOM 81 CG HIS A 5 -25.040 -8.218 0.577 1.00 0.00 C ATOM 82 ND1 HIS A 5 -24.946 -7.222 -0.336 1.00 0.00 N flip ATOM 83 CD2 HIS A 5 -26.179 -8.926 0.254 1.00 0.00 C flip ATOM 84 CE1 HIS A 5 -26.019 -7.347 -1.184 1.00 0.00 C flip ATOM 85 NE2 HIS A 5 -26.747 -8.381 -0.807 1.00 0.00 N flip ATOM 0 H HIS A 5 -26.038 -7.175 2.498 1.00 0.00 H new ATOM 0 HA HIS A 5 -23.556 -7.831 3.659 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -23.181 -8.878 1.354 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -24.580 -9.434 2.252 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -26.549 -9.791 0.785 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -26.233 -6.703 -2.024 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -27.603 -8.704 -1.258 1.00 0.00 H new ATOM 94 N HIS A 6 -23.529 -5.377 1.521 1.00 0.00 N ATOM 95 CA HIS A 6 -22.702 -4.328 0.937 1.00 0.00 C ATOM 96 C HIS A 6 -21.880 -3.624 2.011 1.00 0.00 C ATOM 97 O HIS A 6 -20.723 -3.272 1.787 1.00 0.00 O ATOM 98 CB HIS A 6 -23.574 -3.312 0.197 1.00 0.00 C ATOM 99 CG HIS A 6 -23.345 -3.294 -1.283 1.00 0.00 C ATOM 100 ND1 HIS A 6 -22.840 -4.371 -1.980 1.00 0.00 N ATOM 101 CD2 HIS A 6 -23.557 -2.320 -2.200 1.00 0.00 C ATOM 102 CE1 HIS A 6 -22.750 -4.061 -3.262 1.00 0.00 C ATOM 103 NE2 HIS A 6 -23.179 -2.823 -3.420 1.00 0.00 N ATOM 0 H HIS A 6 -24.532 -5.249 1.385 1.00 0.00 H new ATOM 0 HA HIS A 6 -22.018 -4.793 0.227 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -24.623 -3.535 0.392 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -23.380 -2.318 0.599 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -23.950 -1.333 -2.007 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -22.388 -4.710 -4.046 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -23.223 -2.320 -4.307 1.00 0.00 H new ATOM 112 N GLU A 7 -22.483 -3.424 3.178 1.00 0.00 N ATOM 113 CA GLU A 7 -21.801 -2.766 4.285 1.00 0.00 C ATOM 114 C GLU A 7 -20.622 -3.605 4.764 1.00 0.00 C ATOM 115 O GLU A 7 -19.658 -3.079 5.320 1.00 0.00 O ATOM 116 CB GLU A 7 -22.774 -2.522 5.440 1.00 0.00 C ATOM 117 CG GLU A 7 -23.429 -1.151 5.404 1.00 0.00 C ATOM 118 CD GLU A 7 -24.152 -0.816 6.694 1.00 0.00 C ATOM 119 OE1 GLU A 7 -24.693 -1.744 7.330 1.00 0.00 O ATOM 120 OE2 GLU A 7 -24.176 0.376 7.068 1.00 0.00 O ATOM 0 H GLU A 7 -23.441 -3.708 3.381 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.424 -1.806 3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -23.550 -3.287 5.418 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -22.241 -2.636 6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -22.669 -0.394 5.211 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -24.136 -1.112 4.575 1.00 0.00 H new ATOM 127 N ASN A 8 -20.704 -4.913 4.540 1.00 0.00 N ATOM 128 CA ASN A 8 -19.641 -5.826 4.944 1.00 0.00 C ATOM 129 C ASN A 8 -18.422 -5.659 4.044 1.00 0.00 C ATOM 130 O ASN A 8 -17.318 -5.395 4.521 1.00 0.00 O ATOM 131 CB ASN A 8 -20.134 -7.273 4.895 1.00 0.00 C ATOM 132 CG ASN A 8 -19.913 -8.004 6.205 1.00 0.00 C ATOM 133 OD1 ASN A 8 -19.449 -7.420 7.184 1.00 0.00 O ATOM 134 ND2 ASN A 8 -20.246 -9.289 6.229 1.00 0.00 N ATOM 0 H ASN A 8 -21.495 -5.364 4.081 1.00 0.00 H new ATOM 0 HA ASN A 8 -19.355 -5.586 5.968 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -21.196 -7.284 4.651 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -19.617 -7.803 4.095 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -20.120 -9.833 7.083 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -20.627 -9.733 5.394 1.00 0.00 H new ATOM 141 N GLU A 9 -18.632 -5.805 2.740 1.00 0.00 N ATOM 142 CA GLU A 9 -17.549 -5.658 1.776 1.00 0.00 C ATOM 143 C GLU A 9 -16.985 -4.240 1.815 1.00 0.00 C ATOM 144 O GLU A 9 -15.837 -4.006 1.439 1.00 0.00 O ATOM 145 CB GLU A 9 -18.044 -5.985 0.365 1.00 0.00 C ATOM 146 CG GLU A 9 -17.402 -7.225 -0.233 1.00 0.00 C ATOM 147 CD GLU A 9 -17.484 -7.252 -1.747 1.00 0.00 C ATOM 148 OE1 GLU A 9 -18.582 -7.000 -2.286 1.00 0.00 O ATOM 149 OE2 GLU A 9 -16.450 -7.523 -2.393 1.00 0.00 O ATOM 0 H GLU A 9 -19.539 -6.024 2.328 1.00 0.00 H new ATOM 0 HA GLU A 9 -16.756 -6.357 2.043 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -19.125 -6.122 0.391 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -17.847 -5.134 -0.287 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.356 -7.271 0.071 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -17.890 -8.112 0.169 1.00 0.00 H new ATOM 156 N ILE A 10 -17.804 -3.299 2.276 1.00 0.00 N ATOM 157 CA ILE A 10 -17.398 -1.905 2.371 1.00 0.00 C ATOM 158 C ILE A 10 -16.413 -1.713 3.530 1.00 0.00 C ATOM 159 O ILE A 10 -15.389 -1.045 3.386 1.00 0.00 O ATOM 160 CB ILE A 10 -18.660 -0.982 2.498 1.00 0.00 C ATOM 161 CG1 ILE A 10 -18.815 -0.137 1.234 1.00 0.00 C ATOM 162 CG2 ILE A 10 -18.646 -0.078 3.735 1.00 0.00 C ATOM 163 CD1 ILE A 10 -20.191 -0.231 0.612 1.00 0.00 C ATOM 0 H ILE A 10 -18.757 -3.481 2.590 1.00 0.00 H new ATOM 0 HA ILE A 10 -16.876 -1.616 1.459 1.00 0.00 H new ATOM 0 HB ILE A 10 -19.515 -1.647 2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -18.604 0.905 1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -18.071 -0.452 0.502 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -19.551 0.529 3.752 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -18.604 -0.693 4.634 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -17.773 0.573 3.700 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -20.230 0.393 -0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -20.397 -1.266 0.340 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -20.938 0.112 1.328 1.00 0.00 H new ATOM 175 N SER A 11 -16.736 -2.305 4.676 1.00 0.00 N ATOM 176 CA SER A 11 -15.885 -2.201 5.855 1.00 0.00 C ATOM 177 C SER A 11 -14.529 -2.853 5.606 1.00 0.00 C ATOM 178 O SER A 11 -13.513 -2.424 6.154 1.00 0.00 O ATOM 179 CB SER A 11 -16.565 -2.855 7.059 1.00 0.00 C ATOM 180 OG SER A 11 -16.335 -4.253 7.079 1.00 0.00 O ATOM 0 H SER A 11 -17.580 -2.861 4.812 1.00 0.00 H new ATOM 0 HA SER A 11 -15.726 -1.144 6.066 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.189 -2.408 7.980 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.637 -2.660 7.025 1.00 0.00 H new ATOM 0 HG SER A 11 -16.655 -4.649 6.242 1.00 0.00 H new ATOM 186 N HIS A 12 -14.519 -3.891 4.776 1.00 0.00 N ATOM 187 CA HIS A 12 -13.287 -4.598 4.459 1.00 0.00 C ATOM 188 C HIS A 12 -12.395 -3.736 3.559 1.00 0.00 C ATOM 189 O HIS A 12 -11.188 -3.637 3.782 1.00 0.00 O ATOM 190 CB HIS A 12 -13.624 -5.973 3.832 1.00 0.00 C ATOM 191 CG HIS A 12 -12.953 -6.286 2.523 1.00 0.00 C ATOM 192 ND1 HIS A 12 -13.459 -6.371 1.272 1.00 0.00 N flip ATOM 193 CD2 HIS A 12 -11.605 -6.558 2.411 1.00 0.00 C flip ATOM 194 CE1 HIS A 12 -12.419 -6.690 0.434 1.00 0.00 C flip ATOM 195 NE2 HIS A 12 -11.312 -6.797 1.144 1.00 0.00 N flip ATOM 0 H HIS A 12 -15.349 -4.259 4.312 1.00 0.00 H new ATOM 0 HA HIS A 12 -12.720 -4.787 5.370 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -13.359 -6.751 4.548 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -14.703 -6.028 3.686 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.900 -6.573 3.229 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -12.495 -6.831 -0.634 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -10.388 -7.025 0.778 1.00 0.00 H new ATOM 204 N HIS A 13 -12.995 -3.105 2.552 1.00 0.00 N ATOM 205 CA HIS A 13 -12.240 -2.248 1.644 1.00 0.00 C ATOM 206 C HIS A 13 -11.645 -1.070 2.405 1.00 0.00 C ATOM 207 O HIS A 13 -10.618 -0.519 2.010 1.00 0.00 O ATOM 208 CB HIS A 13 -13.125 -1.725 0.512 1.00 0.00 C ATOM 209 CG HIS A 13 -13.922 -2.782 -0.183 1.00 0.00 C ATOM 210 ND1 HIS A 13 -13.496 -4.086 -0.318 1.00 0.00 N ATOM 211 CD2 HIS A 13 -15.127 -2.715 -0.793 1.00 0.00 C ATOM 212 CE1 HIS A 13 -14.407 -4.777 -0.983 1.00 0.00 C ATOM 213 NE2 HIS A 13 -15.405 -3.967 -1.281 1.00 0.00 N ATOM 0 H HIS A 13 -13.992 -3.170 2.346 1.00 0.00 H new ATOM 0 HA HIS A 13 -11.439 -2.847 1.211 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.808 -0.978 0.916 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.497 -1.219 -0.221 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -15.754 -1.840 -0.880 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -14.345 -5.825 -1.238 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -16.248 -4.229 -1.792 1.00 0.00 H new ATOM 222 N ALA A 14 -12.300 -0.687 3.498 1.00 0.00 N ATOM 223 CA ALA A 14 -11.836 0.426 4.315 1.00 0.00 C ATOM 224 C ALA A 14 -10.537 0.065 5.018 1.00 0.00 C ATOM 225 O ALA A 14 -9.533 0.763 4.886 1.00 0.00 O ATOM 226 CB ALA A 14 -12.900 0.819 5.328 1.00 0.00 C ATOM 0 H ALA A 14 -13.153 -1.132 3.837 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.648 1.279 3.663 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.538 1.652 5.931 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.808 1.117 4.804 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.117 -0.030 5.976 1.00 0.00 H new ATOM 232 N LYS A 15 -10.560 -1.039 5.755 1.00 0.00 N ATOM 233 CA LYS A 15 -9.376 -1.500 6.465 1.00 0.00 C ATOM 234 C LYS A 15 -8.294 -1.945 5.481 1.00 0.00 C ATOM 235 O LYS A 15 -7.137 -2.126 5.861 1.00 0.00 O ATOM 236 CB LYS A 15 -9.735 -2.654 7.403 1.00 0.00 C ATOM 237 CG LYS A 15 -10.534 -2.220 8.621 1.00 0.00 C ATOM 238 CD LYS A 15 -9.993 -2.849 9.895 1.00 0.00 C ATOM 239 CE LYS A 15 -11.116 -3.252 10.837 1.00 0.00 C ATOM 240 NZ LYS A 15 -11.959 -2.089 11.228 1.00 0.00 N ATOM 0 H LYS A 15 -11.383 -1.629 5.876 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.988 -0.670 7.055 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.308 -3.397 6.849 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.818 -3.141 7.735 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.504 -1.134 8.709 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.579 -2.501 8.491 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.395 -3.725 9.644 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.331 -2.144 10.397 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.739 -4.006 10.357 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.693 -3.710 11.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.614 -2.374 11.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.350 -1.318 11.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.503 -1.762 10.404 1.00 0.00 H new ATOM 254 N GLU A 16 -8.674 -2.123 4.214 1.00 0.00 N ATOM 255 CA GLU A 16 -7.732 -2.548 3.188 1.00 0.00 C ATOM 256 C GLU A 16 -6.971 -1.359 2.611 1.00 0.00 C ATOM 257 O GLU A 16 -5.785 -1.468 2.306 1.00 0.00 O ATOM 258 CB GLU A 16 -8.463 -3.293 2.069 1.00 0.00 C ATOM 259 CG GLU A 16 -8.325 -4.804 2.154 1.00 0.00 C ATOM 260 CD GLU A 16 -6.927 -5.282 1.815 1.00 0.00 C ATOM 261 OE1 GLU A 16 -6.032 -5.157 2.677 1.00 0.00 O ATOM 262 OE2 GLU A 16 -6.726 -5.779 0.687 1.00 0.00 O ATOM 0 H GLU A 16 -9.626 -1.979 3.879 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.012 -3.221 3.654 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.521 -3.031 2.100 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.078 -2.955 1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.583 -5.133 3.161 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.039 -5.269 1.474 1.00 0.00 H new ATOM 269 N ILE A 17 -7.650 -0.224 2.466 1.00 0.00 N ATOM 270 CA ILE A 17 -7.010 0.972 1.930 1.00 0.00 C ATOM 271 C ILE A 17 -6.159 1.646 3.000 1.00 0.00 C ATOM 272 O ILE A 17 -5.127 2.248 2.702 1.00 0.00 O ATOM 273 CB ILE A 17 -8.049 1.974 1.383 1.00 0.00 C ATOM 274 CG1 ILE A 17 -7.356 3.244 0.866 1.00 0.00 C ATOM 275 CG2 ILE A 17 -9.085 2.308 2.449 1.00 0.00 C ATOM 276 CD1 ILE A 17 -6.979 4.235 1.950 1.00 0.00 C ATOM 0 H ILE A 17 -8.634 -0.108 2.710 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.371 0.659 1.104 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.568 1.510 0.544 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.455 2.957 0.323 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.015 3.738 0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.808 3.016 2.044 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.600 1.397 2.754 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.589 2.751 3.313 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.495 5.101 1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.877 4.555 2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.293 3.762 2.653 1.00 0.00 H new ATOM 288 N GLU A 18 -6.592 1.526 4.250 1.00 0.00 N ATOM 289 CA GLU A 18 -5.864 2.109 5.369 1.00 0.00 C ATOM 290 C GLU A 18 -4.701 1.211 5.770 1.00 0.00 C ATOM 291 O GLU A 18 -3.612 1.690 6.090 1.00 0.00 O ATOM 292 CB GLU A 18 -6.799 2.322 6.561 1.00 0.00 C ATOM 293 CG GLU A 18 -7.168 3.778 6.792 1.00 0.00 C ATOM 294 CD GLU A 18 -7.392 4.098 8.257 1.00 0.00 C ATOM 295 OE1 GLU A 18 -7.542 3.149 9.055 1.00 0.00 O ATOM 296 OE2 GLU A 18 -7.417 5.296 8.607 1.00 0.00 O ATOM 0 H GLU A 18 -7.444 1.030 4.513 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.469 3.076 5.057 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.711 1.745 6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.324 1.929 7.460 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.375 4.416 6.402 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.072 4.013 6.230 1.00 0.00 H new ATOM 303 N ARG A 19 -4.936 -0.098 5.741 1.00 0.00 N ATOM 304 CA ARG A 19 -3.904 -1.064 6.093 1.00 0.00 C ATOM 305 C ARG A 19 -2.876 -1.170 4.975 1.00 0.00 C ATOM 306 O ARG A 19 -1.707 -1.475 5.216 1.00 0.00 O ATOM 307 CB ARG A 19 -4.525 -2.434 6.367 1.00 0.00 C ATOM 308 CG ARG A 19 -3.540 -3.448 6.925 1.00 0.00 C ATOM 309 CD ARG A 19 -4.195 -4.804 7.136 1.00 0.00 C ATOM 310 NE ARG A 19 -3.914 -5.724 6.039 1.00 0.00 N ATOM 311 CZ ARG A 19 -4.165 -7.028 6.089 1.00 0.00 C ATOM 312 NH1 ARG A 19 -4.702 -7.561 7.178 1.00 0.00 N ATOM 313 NH2 ARG A 19 -3.881 -7.801 5.049 1.00 0.00 N ATOM 0 H ARG A 19 -5.830 -0.512 5.478 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.405 -0.720 6.999 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.349 -2.316 7.070 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.949 -2.823 5.441 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.697 -3.552 6.242 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.140 -3.085 7.872 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.840 -5.236 8.072 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.273 -4.675 7.233 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.502 -5.345 5.186 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.923 -6.970 7.979 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.894 -8.562 7.214 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.469 -7.395 4.209 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.074 -8.802 5.089 1.00 0.00 H new ATOM 327 N LEU A 20 -3.318 -0.904 3.750 1.00 0.00 N ATOM 328 CA LEU A 20 -2.435 -0.959 2.595 1.00 0.00 C ATOM 329 C LEU A 20 -1.502 0.244 2.592 1.00 0.00 C ATOM 330 O LEU A 20 -0.315 0.121 2.291 1.00 0.00 O ATOM 331 CB LEU A 20 -3.249 -0.997 1.301 1.00 0.00 C ATOM 332 CG LEU A 20 -3.722 -2.388 0.874 1.00 0.00 C ATOM 333 CD1 LEU A 20 -4.882 -2.280 -0.104 1.00 0.00 C ATOM 334 CD2 LEU A 20 -2.574 -3.174 0.259 1.00 0.00 C ATOM 0 H LEU A 20 -4.282 -0.649 3.534 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.838 -1.869 2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.121 -0.354 1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.646 -0.572 0.498 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.069 -2.922 1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.205 -3.279 -0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.711 -1.755 0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.562 -1.728 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.927 -4.161 -0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.197 -2.644 -0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.773 -3.281 0.991 1.00 0.00 H new ATOM 346 N GLN A 21 -2.047 1.406 2.938 1.00 0.00 N ATOM 347 CA GLN A 21 -1.262 2.633 2.984 1.00 0.00 C ATOM 348 C GLN A 21 -0.157 2.524 4.029 1.00 0.00 C ATOM 349 O GLN A 21 0.980 2.930 3.790 1.00 0.00 O ATOM 350 CB GLN A 21 -2.162 3.829 3.299 1.00 0.00 C ATOM 351 CG GLN A 21 -1.540 5.169 2.943 1.00 0.00 C ATOM 352 CD GLN A 21 -2.509 6.091 2.230 1.00 0.00 C ATOM 353 OE1 GLN A 21 -2.196 6.642 1.174 1.00 0.00 O ATOM 354 NE2 GLN A 21 -3.693 6.265 2.805 1.00 0.00 N ATOM 0 H GLN A 21 -3.028 1.523 3.190 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.804 2.783 2.006 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.101 3.719 2.757 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.404 3.821 4.362 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.186 5.654 3.853 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.669 5.004 2.309 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.910 5.788 3.680 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.386 6.875 2.371 1.00 0.00 H new ATOM 363 N LYS A 22 -0.497 1.969 5.189 1.00 0.00 N ATOM 364 CA LYS A 22 0.472 1.805 6.266 1.00 0.00 C ATOM 365 C LYS A 22 1.582 0.844 5.851 1.00 0.00 C ATOM 366 O LYS A 22 2.750 1.044 6.190 1.00 0.00 O ATOM 367 CB LYS A 22 -0.220 1.291 7.529 1.00 0.00 C ATOM 368 CG LYS A 22 0.678 1.288 8.756 1.00 0.00 C ATOM 369 CD LYS A 22 0.380 0.104 9.661 1.00 0.00 C ATOM 370 CE LYS A 22 0.588 -1.217 8.938 1.00 0.00 C ATOM 371 NZ LYS A 22 1.109 -2.273 9.849 1.00 0.00 N ATOM 0 H LYS A 22 -1.433 1.627 5.406 1.00 0.00 H new ATOM 0 HA LYS A 22 0.916 2.778 6.477 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.095 1.909 7.731 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.580 0.278 7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.722 1.255 8.444 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.540 2.216 9.311 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.025 0.145 10.539 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.648 0.167 10.017 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.356 -1.546 8.504 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.285 -1.073 8.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.237 -3.158 9.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.022 -1.971 10.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.432 -2.429 10.623 1.00 0.00 H new ATOM 385 N GLU A 23 1.209 -0.199 5.118 1.00 0.00 N ATOM 386 CA GLU A 23 2.170 -1.194 4.657 1.00 0.00 C ATOM 387 C GLU A 23 3.178 -0.581 3.689 1.00 0.00 C ATOM 388 O GLU A 23 4.365 -0.914 3.721 1.00 0.00 O ATOM 389 CB GLU A 23 1.444 -2.359 3.982 1.00 0.00 C ATOM 390 CG GLU A 23 2.247 -3.650 3.968 1.00 0.00 C ATOM 391 CD GLU A 23 1.377 -4.875 3.761 1.00 0.00 C ATOM 392 OE1 GLU A 23 0.506 -4.840 2.866 1.00 0.00 O ATOM 393 OE2 GLU A 23 1.567 -5.869 4.493 1.00 0.00 O ATOM 0 H GLU A 23 0.247 -0.378 4.830 1.00 0.00 H new ATOM 0 HA GLU A 23 2.712 -1.564 5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.499 -2.534 4.496 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.202 -2.080 2.956 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.993 -3.601 3.175 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.788 -3.748 4.909 1.00 0.00 H new ATOM 400 N ILE A 24 2.705 0.317 2.830 1.00 0.00 N ATOM 401 CA ILE A 24 3.580 0.967 1.859 1.00 0.00 C ATOM 402 C ILE A 24 4.624 1.824 2.577 1.00 0.00 C ATOM 403 O ILE A 24 5.793 1.853 2.191 1.00 0.00 O ATOM 404 CB ILE A 24 2.783 1.813 0.812 1.00 0.00 C ATOM 405 CG1 ILE A 24 2.636 3.284 1.233 1.00 0.00 C ATOM 406 CG2 ILE A 24 1.409 1.209 0.563 1.00 0.00 C ATOM 407 CD1 ILE A 24 3.829 4.133 0.850 1.00 0.00 C ATOM 0 H ILE A 24 1.729 0.610 2.786 1.00 0.00 H new ATOM 0 HA ILE A 24 4.091 0.182 1.302 1.00 0.00 H new ATOM 0 HB ILE A 24 3.362 1.790 -0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.739 3.699 0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.493 3.334 2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.873 1.814 -0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.521 0.194 0.182 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.847 1.186 1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.664 5.160 1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.725 3.740 1.331 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.959 4.111 -0.232 1.00 0.00 H new ATOM 419 N GLU A 25 4.187 2.514 3.626 1.00 0.00 N ATOM 420 CA GLU A 25 5.074 3.367 4.406 1.00 0.00 C ATOM 421 C GLU A 25 6.227 2.553 4.980 1.00 0.00 C ATOM 422 O GLU A 25 7.383 2.973 4.927 1.00 0.00 O ATOM 423 CB GLU A 25 4.301 4.049 5.536 1.00 0.00 C ATOM 424 CG GLU A 25 4.922 5.358 5.994 1.00 0.00 C ATOM 425 CD GLU A 25 3.963 6.527 5.886 1.00 0.00 C ATOM 426 OE1 GLU A 25 3.083 6.657 6.762 1.00 0.00 O ATOM 427 OE2 GLU A 25 4.093 7.313 4.924 1.00 0.00 O ATOM 0 H GLU A 25 3.222 2.498 3.955 1.00 0.00 H new ATOM 0 HA GLU A 25 5.481 4.133 3.746 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.280 4.237 5.204 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.240 3.369 6.385 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.251 5.257 7.028 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.809 5.564 5.395 1.00 0.00 H new ATOM 434 N ARG A 26 5.906 1.382 5.521 1.00 0.00 N ATOM 435 CA ARG A 26 6.919 0.506 6.095 1.00 0.00 C ATOM 436 C ARG A 26 8.002 0.205 5.065 1.00 0.00 C ATOM 437 O ARG A 26 9.195 0.338 5.343 1.00 0.00 O ATOM 438 CB ARG A 26 6.284 -0.796 6.584 1.00 0.00 C ATOM 439 CG ARG A 26 6.831 -1.277 7.918 1.00 0.00 C ATOM 440 CD ARG A 26 5.917 -0.888 9.068 1.00 0.00 C ATOM 441 NE ARG A 26 6.549 -1.103 10.366 1.00 0.00 N ATOM 442 CZ ARG A 26 6.782 -2.306 10.882 1.00 0.00 C ATOM 443 NH1 ARG A 26 6.435 -3.395 10.210 1.00 0.00 N ATOM 444 NH2 ARG A 26 7.361 -2.420 12.069 1.00 0.00 N ATOM 0 H ARG A 26 4.954 1.019 5.574 1.00 0.00 H new ATOM 0 HA ARG A 26 7.373 1.014 6.946 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.207 -0.654 6.672 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.443 -1.572 5.835 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.948 -2.361 7.895 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.822 -0.853 8.080 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.638 0.161 8.970 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.997 -1.469 9.012 1.00 0.00 H new ATOM 0 HE ARG A 26 6.827 -0.285 10.907 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.989 -3.310 9.297 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.614 -4.318 10.606 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.629 -1.584 12.588 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.539 -3.344 12.463 1.00 0.00 H new ATOM 458 N HIS A 27 7.575 -0.191 3.870 1.00 0.00 N ATOM 459 CA HIS A 27 8.506 -0.500 2.793 1.00 0.00 C ATOM 460 C HIS A 27 9.276 0.749 2.375 1.00 0.00 C ATOM 461 O HIS A 27 10.382 0.659 1.841 1.00 0.00 O ATOM 462 CB HIS A 27 7.757 -1.080 1.592 1.00 0.00 C ATOM 463 CG HIS A 27 7.819 -2.573 1.512 1.00 0.00 C ATOM 464 ND1 HIS A 27 8.912 -3.256 1.019 1.00 0.00 N ATOM 465 CD2 HIS A 27 6.916 -3.518 1.867 1.00 0.00 C ATOM 466 CE1 HIS A 27 8.678 -4.556 1.073 1.00 0.00 C ATOM 467 NE2 HIS A 27 7.475 -4.740 1.584 1.00 0.00 N ATOM 0 H HIS A 27 6.592 -0.305 3.624 1.00 0.00 H new ATOM 0 HA HIS A 27 9.217 -1.242 3.157 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.713 -0.770 1.641 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.172 -0.658 0.677 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.939 -3.343 2.293 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.355 -5.334 0.754 1.00 0.00 H new ATOM 0 HE2 HIS A 27 7.032 -5.645 1.743 1.00 0.00 H new ATOM 476 N LYS A 28 8.683 1.914 2.623 1.00 0.00 N ATOM 477 CA LYS A 28 9.312 3.182 2.275 1.00 0.00 C ATOM 478 C LYS A 28 10.403 3.539 3.280 1.00 0.00 C ATOM 479 O LYS A 28 11.346 4.261 2.957 1.00 0.00 O ATOM 480 CB LYS A 28 8.266 4.297 2.222 1.00 0.00 C ATOM 481 CG LYS A 28 8.749 5.551 1.513 1.00 0.00 C ATOM 482 CD LYS A 28 8.374 6.806 2.285 1.00 0.00 C ATOM 483 CE LYS A 28 9.261 6.996 3.505 1.00 0.00 C ATOM 484 NZ LYS A 28 9.571 8.431 3.749 1.00 0.00 N ATOM 0 H LYS A 28 7.768 2.005 3.064 1.00 0.00 H new ATOM 0 HA LYS A 28 9.768 3.076 1.291 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.375 3.924 1.717 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.971 4.556 3.239 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.831 5.507 1.391 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.317 5.595 0.513 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.460 7.675 1.633 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.332 6.744 2.598 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.767 6.577 4.382 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.190 6.442 3.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.296 8.508 4.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.926 8.864 2.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.709 8.925 4.055 1.00 0.00 H new ATOM 498 N GLN A 29 10.266 3.028 4.499 1.00 0.00 N ATOM 499 CA GLN A 29 11.239 3.291 5.552 1.00 0.00 C ATOM 500 C GLN A 29 12.476 2.417 5.375 1.00 0.00 C ATOM 501 O GLN A 29 13.595 2.843 5.661 1.00 0.00 O ATOM 502 CB GLN A 29 10.616 3.043 6.927 1.00 0.00 C ATOM 503 CG GLN A 29 11.324 3.773 8.056 1.00 0.00 C ATOM 504 CD GLN A 29 10.485 3.850 9.316 1.00 0.00 C ATOM 505 OE1 GLN A 29 9.518 3.106 9.479 1.00 0.00 O ATOM 506 NE2 GLN A 29 10.852 4.755 10.217 1.00 0.00 N ATOM 0 H GLN A 29 9.490 2.429 4.782 1.00 0.00 H new ATOM 0 HA GLN A 29 11.540 4.336 5.483 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.571 3.352 6.904 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.627 1.973 7.134 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.263 3.266 8.279 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.576 4.782 7.730 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.661 5.351 10.041 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.325 4.853 11.085 1.00 0.00 H new ATOM 515 N SER A 30 12.265 1.193 4.902 1.00 0.00 N ATOM 516 CA SER A 30 13.364 0.259 4.686 1.00 0.00 C ATOM 517 C SER A 30 14.168 0.643 3.447 1.00 0.00 C ATOM 518 O SER A 30 15.389 0.491 3.416 1.00 0.00 O ATOM 519 CB SER A 30 12.829 -1.166 4.540 1.00 0.00 C ATOM 520 OG SER A 30 11.745 -1.214 3.629 1.00 0.00 O ATOM 0 H SER A 30 11.345 0.825 4.661 1.00 0.00 H new ATOM 0 HA SER A 30 14.023 0.305 5.553 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.627 -1.824 4.195 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.507 -1.538 5.513 1.00 0.00 H new ATOM 0 HG SER A 30 11.666 -0.353 3.168 1.00 0.00 H new ATOM 526 N ILE A 31 13.475 1.143 2.429 1.00 0.00 N ATOM 527 CA ILE A 31 14.123 1.550 1.189 1.00 0.00 C ATOM 528 C ILE A 31 14.816 2.899 1.355 1.00 0.00 C ATOM 529 O ILE A 31 15.814 3.181 0.692 1.00 0.00 O ATOM 530 CB ILE A 31 13.106 1.633 0.034 1.00 0.00 C ATOM 531 CG1 ILE A 31 13.774 2.116 -1.255 1.00 0.00 C ATOM 532 CG2 ILE A 31 11.953 2.549 0.410 1.00 0.00 C ATOM 533 CD1 ILE A 31 14.621 1.061 -1.928 1.00 0.00 C ATOM 0 H ILE A 31 12.464 1.276 2.439 1.00 0.00 H new ATOM 0 HA ILE A 31 14.870 0.794 0.947 1.00 0.00 H new ATOM 0 HB ILE A 31 12.715 0.632 -0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 31 13.004 2.450 -1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.397 2.981 -1.029 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.243 2.598 -0.416 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.453 2.159 1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.335 3.548 0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.063 1.473 -2.835 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.413 0.743 -1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 31 13.998 0.204 -2.185 1.00 0.00 H new ATOM 545 N LYS A 32 14.283 3.727 2.247 1.00 0.00 N ATOM 546 CA LYS A 32 14.853 5.044 2.503 1.00 0.00 C ATOM 547 C LYS A 32 16.065 4.939 3.423 1.00 0.00 C ATOM 548 O LYS A 32 17.003 5.730 3.323 1.00 0.00 O ATOM 549 CB LYS A 32 13.803 5.966 3.124 1.00 0.00 C ATOM 550 CG LYS A 32 14.276 7.400 3.290 1.00 0.00 C ATOM 551 CD LYS A 32 14.025 8.218 2.034 1.00 0.00 C ATOM 552 CE LYS A 32 12.670 8.905 2.077 1.00 0.00 C ATOM 553 NZ LYS A 32 11.964 8.825 0.769 1.00 0.00 N ATOM 0 H LYS A 32 13.457 3.509 2.805 1.00 0.00 H new ATOM 0 HA LYS A 32 15.176 5.466 1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.909 5.957 2.501 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.516 5.572 4.099 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.760 7.859 4.134 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.340 7.408 3.524 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.810 8.966 1.923 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.077 7.569 1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.054 8.445 2.850 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.802 9.951 2.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.044 9.305 0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.539 9.286 0.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.815 7.827 0.516 1.00 0.00 H new ATOM 567 N LYS A 33 16.039 3.955 4.316 1.00 0.00 N ATOM 568 CA LYS A 33 17.138 3.745 5.251 1.00 0.00 C ATOM 569 C LYS A 33 18.289 3.012 4.573 1.00 0.00 C ATOM 570 O LYS A 33 19.458 3.253 4.877 1.00 0.00 O ATOM 571 CB LYS A 33 16.656 2.952 6.468 1.00 0.00 C ATOM 572 CG LYS A 33 17.589 3.048 7.664 1.00 0.00 C ATOM 573 CD LYS A 33 17.015 3.948 8.746 1.00 0.00 C ATOM 574 CE LYS A 33 17.316 5.412 8.469 1.00 0.00 C ATOM 575 NZ LYS A 33 18.302 5.969 9.436 1.00 0.00 N ATOM 0 H LYS A 33 15.270 3.292 4.412 1.00 0.00 H new ATOM 0 HA LYS A 33 17.495 4.720 5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.669 3.312 6.758 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.544 1.905 6.188 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.763 2.052 8.072 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.556 3.435 7.343 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.937 3.802 8.808 1.00 0.00 H new ATOM 0 HD3 LYS A 33 17.431 3.667 9.714 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.702 5.518 7.455 1.00 0.00 H new ATOM 0 HE3 LYS A 33 16.392 5.988 8.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 18.480 6.969 9.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.923 5.892 10.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.192 5.436 9.370 1.00 0.00 H new ATOM 589 N LEU A 34 17.951 2.117 3.651 1.00 0.00 N ATOM 590 CA LEU A 34 18.955 1.349 2.926 1.00 0.00 C ATOM 591 C LEU A 34 19.589 2.194 1.826 1.00 0.00 C ATOM 592 O LEU A 34 20.745 1.987 1.458 1.00 0.00 O ATOM 593 CB LEU A 34 18.329 0.090 2.323 1.00 0.00 C ATOM 594 CG LEU A 34 18.645 -1.210 3.064 1.00 0.00 C ATOM 595 CD1 LEU A 34 17.468 -2.169 2.984 1.00 0.00 C ATOM 596 CD2 LEU A 34 19.900 -1.855 2.496 1.00 0.00 C ATOM 0 H LEU A 34 16.988 1.906 3.388 1.00 0.00 H new ATOM 0 HA LEU A 34 19.733 1.055 3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.247 0.219 2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.667 -0.007 1.291 1.00 0.00 H new ATOM 0 HG LEU A 34 18.824 -0.974 4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.711 -3.088 3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 34 16.591 -1.707 3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 34 17.257 -2.400 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 34 20.110 -2.779 3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.749 -2.077 1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 34 20.742 -1.171 2.606 1.00 0.00 H new ATOM 608 N LYS A 35 18.824 3.150 1.307 1.00 0.00 N ATOM 609 CA LYS A 35 19.311 4.029 0.251 1.00 0.00 C ATOM 610 C LYS A 35 20.191 5.132 0.829 1.00 0.00 C ATOM 611 O LYS A 35 21.152 5.569 0.196 1.00 0.00 O ATOM 612 CB LYS A 35 18.137 4.643 -0.513 1.00 0.00 C ATOM 613 CG LYS A 35 18.524 5.206 -1.871 1.00 0.00 C ATOM 614 CD LYS A 35 18.173 6.681 -1.982 1.00 0.00 C ATOM 615 CE LYS A 35 16.674 6.907 -1.875 1.00 0.00 C ATOM 616 NZ LYS A 35 16.264 8.207 -2.473 1.00 0.00 N ATOM 0 H LYS A 35 17.865 3.335 1.601 1.00 0.00 H new ATOM 0 HA LYS A 35 19.910 3.433 -0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 35 17.366 3.884 -0.649 1.00 0.00 H new ATOM 0 HB3 LYS A 35 17.698 5.438 0.089 1.00 0.00 H new ATOM 0 HG2 LYS A 35 19.594 5.072 -2.030 1.00 0.00 H new ATOM 0 HG3 LYS A 35 18.013 4.649 -2.656 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.683 7.237 -1.196 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.534 7.071 -2.934 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.148 6.095 -2.377 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.377 6.880 -0.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.235 8.323 -2.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.746 8.984 -1.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.524 8.223 -3.480 1.00 0.00 H new ATOM 630 N GLN A 36 19.857 5.578 2.035 1.00 0.00 N ATOM 631 CA GLN A 36 20.618 6.629 2.699 1.00 0.00 C ATOM 632 C GLN A 36 21.916 6.075 3.276 1.00 0.00 C ATOM 633 O GLN A 36 22.923 6.778 3.353 1.00 0.00 O ATOM 634 CB GLN A 36 19.784 7.269 3.810 1.00 0.00 C ATOM 635 CG GLN A 36 20.534 8.328 4.601 1.00 0.00 C ATOM 636 CD GLN A 36 20.581 8.023 6.085 1.00 0.00 C ATOM 637 OE1 GLN A 36 20.388 6.882 6.502 1.00 0.00 O ATOM 638 NE2 GLN A 36 20.837 9.046 6.892 1.00 0.00 N ATOM 0 H GLN A 36 19.064 5.228 2.573 1.00 0.00 H new ATOM 0 HA GLN A 36 20.865 7.389 1.958 1.00 0.00 H new ATOM 0 HB2 GLN A 36 18.893 7.718 3.371 1.00 0.00 H new ATOM 0 HB3 GLN A 36 19.445 6.490 4.493 1.00 0.00 H new ATOM 0 HG2 GLN A 36 21.551 8.409 4.218 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.057 9.296 4.448 1.00 0.00 H new ATOM 0 HE21 GLN A 36 20.991 9.976 6.503 1.00 0.00 H new ATOM 0 HE22 GLN A 36 20.880 8.901 7.901 1.00 0.00 H new ATOM 647 N SER A 37 21.885 4.808 3.678 1.00 0.00 N ATOM 648 CA SER A 37 23.060 4.158 4.245 1.00 0.00 C ATOM 649 C SER A 37 24.063 3.804 3.152 1.00 0.00 C ATOM 650 O SER A 37 25.263 3.702 3.406 1.00 0.00 O ATOM 651 CB SER A 37 22.653 2.897 5.009 1.00 0.00 C ATOM 652 OG SER A 37 23.531 2.652 6.094 1.00 0.00 O ATOM 0 H SER A 37 21.059 4.212 3.621 1.00 0.00 H new ATOM 0 HA SER A 37 23.533 4.855 4.937 1.00 0.00 H new ATOM 0 HB2 SER A 37 21.634 3.006 5.379 1.00 0.00 H new ATOM 0 HB3 SER A 37 22.657 2.042 4.333 1.00 0.00 H new ATOM 0 HG SER A 37 23.248 1.842 6.567 1.00 0.00 H new ATOM 658 N GLU A 38 23.562 3.618 1.935 1.00 0.00 N ATOM 659 CA GLU A 38 24.413 3.276 0.802 1.00 0.00 C ATOM 660 C GLU A 38 25.214 4.490 0.341 1.00 0.00 C ATOM 661 O GLU A 38 26.293 4.352 -0.235 1.00 0.00 O ATOM 662 CB GLU A 38 23.568 2.738 -0.354 1.00 0.00 C ATOM 663 CG GLU A 38 24.215 1.576 -1.091 1.00 0.00 C ATOM 664 CD GLU A 38 23.395 1.109 -2.277 1.00 0.00 C ATOM 665 OE1 GLU A 38 23.030 1.958 -3.117 1.00 0.00 O ATOM 666 OE2 GLU A 38 23.119 -0.106 -2.366 1.00 0.00 O ATOM 0 H GLU A 38 22.571 3.698 1.709 1.00 0.00 H new ATOM 0 HA GLU A 38 25.110 2.502 1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 38 22.600 2.419 0.032 1.00 0.00 H new ATOM 0 HB3 GLU A 38 23.378 3.546 -1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 38 25.206 1.874 -1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 38 24.354 0.745 -0.400 1.00 0.00 H new ATOM 673 N ASP A 39 24.677 5.678 0.597 1.00 0.00 N ATOM 674 CA ASP A 39 25.341 6.917 0.209 1.00 0.00 C ATOM 675 C ASP A 39 26.578 7.162 1.067 1.00 0.00 C ATOM 676 O ASP A 39 27.521 7.827 0.640 1.00 0.00 O ATOM 677 CB ASP A 39 24.377 8.097 0.332 1.00 0.00 C ATOM 678 CG ASP A 39 24.742 9.240 -0.594 1.00 0.00 C ATOM 679 OD1 ASP A 39 25.607 10.058 -0.216 1.00 0.00 O ATOM 680 OD2 ASP A 39 24.162 9.318 -1.697 1.00 0.00 O ATOM 0 H ASP A 39 23.784 5.809 1.072 1.00 0.00 H new ATOM 0 HA ASP A 39 25.655 6.822 -0.830 1.00 0.00 H new ATOM 0 HB2 ASP A 39 23.365 7.761 0.108 1.00 0.00 H new ATOM 0 HB3 ASP A 39 24.374 8.454 1.362 1.00 0.00 H new ATOM 685 N ASP A 40 26.566 6.621 2.281 1.00 0.00 N ATOM 686 CA ASP A 40 27.687 6.781 3.200 1.00 0.00 C ATOM 687 C ASP A 40 28.540 5.518 3.243 1.00 0.00 C ATOM 688 O ASP A 40 28.093 4.441 2.850 1.00 0.00 O ATOM 689 CB ASP A 40 27.179 7.115 4.604 1.00 0.00 C ATOM 690 CG ASP A 40 28.307 7.282 5.602 1.00 0.00 C ATOM 691 OD1 ASP A 40 29.185 8.140 5.368 1.00 0.00 O ATOM 692 OD2 ASP A 40 28.314 6.557 6.618 1.00 0.00 O ATOM 0 H ASP A 40 25.793 6.068 2.651 1.00 0.00 H new ATOM 0 HA ASP A 40 28.305 7.603 2.839 1.00 0.00 H new ATOM 0 HB2 ASP A 40 26.592 8.033 4.566 1.00 0.00 H new ATOM 0 HB3 ASP A 40 26.511 6.323 4.944 1.00 0.00 H new ATOM 697 N ASP A 41 29.771 5.657 3.724 1.00 0.00 N ATOM 698 CA ASP A 41 30.688 4.526 3.819 1.00 0.00 C ATOM 699 C ASP A 41 31.889 4.871 4.693 1.00 0.00 C ATOM 700 O ASP A 41 31.804 5.860 5.451 1.00 0.00 O ATOM 701 CB ASP A 41 31.159 4.107 2.425 1.00 0.00 C ATOM 702 CG ASP A 41 31.604 5.289 1.586 1.00 0.00 C ATOM 703 OD1 ASP A 41 32.104 6.275 2.166 1.00 0.00 O ATOM 704 OD2 ASP A 41 31.453 5.228 0.347 1.00 0.00 O ATOM 705 OXT ASP A 41 32.905 4.150 4.612 1.00 0.00 O ATOM 0 H ASP A 41 30.157 6.542 4.054 1.00 0.00 H new ATOM 0 HA ASP A 41 30.154 3.695 4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 41 31.984 3.401 2.520 1.00 0.00 H new ATOM 0 HB3 ASP A 41 30.351 3.585 1.913 1.00 0.00 H new TER 710 ASP A 41 ATOM 711 N ALA B 1 32.130 -8.928 -5.224 1.00 0.00 N ATOM 712 CA ALA B 1 30.780 -9.097 -4.626 1.00 0.00 C ATOM 713 C ALA B 1 30.845 -9.047 -3.104 1.00 0.00 C ATOM 714 O ALA B 1 30.791 -10.080 -2.436 1.00 0.00 O ATOM 715 CB ALA B 1 30.162 -10.410 -5.085 1.00 0.00 C ATOM 0 H1 ALA B 1 32.058 -8.966 -6.261 1.00 0.00 H new ATOM 0 H2 ALA B 1 32.524 -8.009 -4.938 1.00 0.00 H new ATOM 0 H3 ALA B 1 32.755 -9.691 -4.892 1.00 0.00 H new ATOM 0 HA ALA B 1 30.153 -8.273 -4.965 1.00 0.00 H new ATOM 0 HB1 ALA B 1 29.173 -10.522 -4.640 1.00 0.00 H new ATOM 0 HB2 ALA B 1 30.073 -10.410 -6.171 1.00 0.00 H new ATOM 0 HB3 ALA B 1 30.796 -11.240 -4.773 1.00 0.00 H new ATOM 723 N LEU B 2 30.962 -7.840 -2.561 1.00 0.00 N ATOM 724 CA LEU B 2 31.034 -7.655 -1.116 1.00 0.00 C ATOM 725 C LEU B 2 29.835 -6.862 -0.608 1.00 0.00 C ATOM 726 O LEU B 2 29.139 -7.291 0.312 1.00 0.00 O ATOM 727 CB LEU B 2 32.332 -6.939 -0.737 1.00 0.00 C ATOM 728 CG LEU B 2 33.014 -7.463 0.528 1.00 0.00 C ATOM 729 CD1 LEU B 2 33.974 -8.593 0.187 1.00 0.00 C ATOM 730 CD2 LEU B 2 33.745 -6.337 1.243 1.00 0.00 C ATOM 0 H LEU B 2 31.009 -6.975 -3.100 1.00 0.00 H new ATOM 0 HA LEU B 2 31.020 -8.639 -0.648 1.00 0.00 H new ATOM 0 HB2 LEU B 2 33.031 -7.022 -1.569 1.00 0.00 H new ATOM 0 HB3 LEU B 2 32.119 -5.878 -0.604 1.00 0.00 H new ATOM 0 HG LEU B 2 32.248 -7.855 1.197 1.00 0.00 H new ATOM 0 HD11 LEU B 2 34.450 -8.954 1.099 1.00 0.00 H new ATOM 0 HD12 LEU B 2 33.424 -9.409 -0.282 1.00 0.00 H new ATOM 0 HD13 LEU B 2 34.737 -8.227 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU B 2 34.225 -6.727 2.141 1.00 0.00 H new ATOM 0 HD22 LEU B 2 34.502 -5.916 0.581 1.00 0.00 H new ATOM 0 HD23 LEU B 2 33.033 -5.560 1.520 1.00 0.00 H new ATOM 742 N LYS B 3 29.599 -5.702 -1.213 1.00 0.00 N ATOM 743 CA LYS B 3 28.484 -4.848 -0.821 1.00 0.00 C ATOM 744 C LYS B 3 27.577 -4.557 -2.013 1.00 0.00 C ATOM 745 O LYS B 3 26.885 -3.539 -2.045 1.00 0.00 O ATOM 746 CB LYS B 3 29.002 -3.537 -0.227 1.00 0.00 C ATOM 747 CG LYS B 3 28.852 -3.452 1.283 1.00 0.00 C ATOM 748 CD LYS B 3 30.202 -3.331 1.971 1.00 0.00 C ATOM 749 CE LYS B 3 31.002 -2.159 1.425 1.00 0.00 C ATOM 750 NZ LYS B 3 31.703 -1.413 2.506 1.00 0.00 N ATOM 0 H LYS B 3 30.165 -5.332 -1.977 1.00 0.00 H new ATOM 0 HA LYS B 3 27.903 -5.376 -0.065 1.00 0.00 H new ATOM 0 HB2 LYS B 3 30.054 -3.421 -0.486 1.00 0.00 H new ATOM 0 HB3 LYS B 3 28.467 -2.704 -0.684 1.00 0.00 H new ATOM 0 HG2 LYS B 3 28.233 -2.593 1.540 1.00 0.00 H new ATOM 0 HG3 LYS B 3 28.334 -4.339 1.649 1.00 0.00 H new ATOM 0 HD2 LYS B 3 30.055 -3.204 3.044 1.00 0.00 H new ATOM 0 HD3 LYS B 3 30.766 -4.254 1.833 1.00 0.00 H new ATOM 0 HE2 LYS B 3 31.733 -2.523 0.703 1.00 0.00 H new ATOM 0 HE3 LYS B 3 30.335 -1.482 0.890 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 32.237 -0.622 2.092 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 31.004 -1.043 3.182 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 32.358 -2.052 3.000 1.00 0.00 H new ATOM 764 N LYS B 4 27.587 -5.456 -2.992 1.00 0.00 N ATOM 765 CA LYS B 4 26.766 -5.295 -4.186 1.00 0.00 C ATOM 766 C LYS B 4 25.364 -5.854 -3.963 1.00 0.00 C ATOM 767 O LYS B 4 24.406 -5.430 -4.608 1.00 0.00 O ATOM 768 CB LYS B 4 27.422 -5.993 -5.379 1.00 0.00 C ATOM 769 CG LYS B 4 27.451 -7.507 -5.257 1.00 0.00 C ATOM 770 CD LYS B 4 26.246 -8.144 -5.930 1.00 0.00 C ATOM 771 CE LYS B 4 26.354 -9.660 -5.946 1.00 0.00 C ATOM 772 NZ LYS B 4 25.495 -10.267 -7.000 1.00 0.00 N ATOM 0 H LYS B 4 28.155 -6.303 -2.982 1.00 0.00 H new ATOM 0 HA LYS B 4 26.683 -4.229 -4.398 1.00 0.00 H new ATOM 0 HB2 LYS B 4 26.886 -5.720 -6.288 1.00 0.00 H new ATOM 0 HB3 LYS B 4 28.443 -5.626 -5.488 1.00 0.00 H new ATOM 0 HG2 LYS B 4 28.366 -7.892 -5.707 1.00 0.00 H new ATOM 0 HG3 LYS B 4 27.471 -7.788 -4.204 1.00 0.00 H new ATOM 0 HD2 LYS B 4 25.337 -7.848 -5.406 1.00 0.00 H new ATOM 0 HD3 LYS B 4 26.160 -7.773 -6.951 1.00 0.00 H new ATOM 0 HE2 LYS B 4 27.392 -9.948 -6.113 1.00 0.00 H new ATOM 0 HE3 LYS B 4 26.066 -10.055 -4.972 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 25.597 -11.302 -6.978 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 24.501 -10.013 -6.827 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 25.786 -9.910 -7.933 1.00 0.00 H new ATOM 786 N HIS B 5 25.253 -6.809 -3.046 1.00 0.00 N ATOM 787 CA HIS B 5 23.968 -7.427 -2.738 1.00 0.00 C ATOM 788 C HIS B 5 22.990 -6.400 -2.176 1.00 0.00 C ATOM 789 O HIS B 5 21.776 -6.537 -2.328 1.00 0.00 O ATOM 790 CB HIS B 5 24.155 -8.571 -1.740 1.00 0.00 C ATOM 791 CG HIS B 5 25.038 -8.219 -0.584 1.00 0.00 C ATOM 792 ND1 HIS B 5 24.945 -7.224 0.331 1.00 0.00 N flip ATOM 793 CD2 HIS B 5 26.176 -8.928 -0.262 1.00 0.00 C flip ATOM 794 CE1 HIS B 5 26.018 -7.351 1.178 1.00 0.00 C flip ATOM 795 NE2 HIS B 5 26.745 -8.386 0.801 1.00 0.00 N flip ATOM 0 H HIS B 5 26.037 -7.172 -2.503 1.00 0.00 H new ATOM 0 HA HIS B 5 23.554 -7.826 -3.664 1.00 0.00 H new ATOM 0 HB2 HIS B 5 23.179 -8.875 -1.362 1.00 0.00 H new ATOM 0 HB3 HIS B 5 24.577 -9.431 -2.260 1.00 0.00 H new ATOM 0 HD2 HIS B 5 26.545 -9.792 -0.795 1.00 0.00 H new ATOM 0 HE1 HIS B 5 26.233 -6.707 2.018 1.00 0.00 H new ATOM 0 HE2 HIS B 5 27.600 -8.712 1.253 1.00 0.00 H new ATOM 804 N HIS B 6 23.526 -5.373 -1.525 1.00 0.00 N ATOM 805 CA HIS B 6 22.699 -4.324 -0.941 1.00 0.00 C ATOM 806 C HIS B 6 21.876 -3.619 -2.013 1.00 0.00 C ATOM 807 O HIS B 6 20.719 -3.270 -1.788 1.00 0.00 O ATOM 808 CB HIS B 6 23.571 -3.309 -0.199 1.00 0.00 C ATOM 809 CG HIS B 6 23.344 -3.294 1.281 1.00 0.00 C ATOM 810 ND1 HIS B 6 22.840 -4.374 1.977 1.00 0.00 N ATOM 811 CD2 HIS B 6 23.557 -2.323 2.201 1.00 0.00 C ATOM 812 CE1 HIS B 6 22.752 -4.066 3.259 1.00 0.00 C ATOM 813 NE2 HIS B 6 23.181 -2.829 3.420 1.00 0.00 N ATOM 0 H HIS B 6 24.529 -5.245 -1.389 1.00 0.00 H new ATOM 0 HA HIS B 6 22.015 -4.790 -0.232 1.00 0.00 H new ATOM 0 HB2 HIS B 6 24.620 -3.531 -0.395 1.00 0.00 H new ATOM 0 HB3 HIS B 6 23.376 -2.314 -0.598 1.00 0.00 H new ATOM 0 HD2 HIS B 6 23.949 -1.335 2.011 1.00 0.00 H new ATOM 0 HE1 HIS B 6 22.390 -4.716 4.042 1.00 0.00 H new ATOM 0 HE2 HIS B 6 23.226 -2.329 4.308 1.00 0.00 H new ATOM 822 N GLU B 7 22.479 -3.417 -3.180 1.00 0.00 N ATOM 823 CA GLU B 7 21.797 -2.759 -4.286 1.00 0.00 C ATOM 824 C GLU B 7 20.619 -3.599 -4.768 1.00 0.00 C ATOM 825 O GLU B 7 19.656 -3.075 -5.328 1.00 0.00 O ATOM 826 CB GLU B 7 22.770 -2.511 -5.440 1.00 0.00 C ATOM 827 CG GLU B 7 23.427 -1.141 -5.398 1.00 0.00 C ATOM 828 CD GLU B 7 24.152 -0.802 -6.685 1.00 0.00 C ATOM 829 OE1 GLU B 7 24.694 -1.729 -7.323 1.00 0.00 O ATOM 830 OE2 GLU B 7 24.178 0.390 -7.056 1.00 0.00 O ATOM 0 H GLU B 7 23.438 -3.700 -3.383 1.00 0.00 H new ATOM 0 HA GLU B 7 21.418 -1.800 -3.931 1.00 0.00 H new ATOM 0 HB2 GLU B 7 23.545 -3.277 -5.422 1.00 0.00 H new ATOM 0 HB3 GLU B 7 22.236 -2.620 -6.384 1.00 0.00 H new ATOM 0 HG2 GLU B 7 22.667 -0.384 -5.203 1.00 0.00 H new ATOM 0 HG3 GLU B 7 24.133 -1.106 -4.568 1.00 0.00 H new ATOM 837 N ASN B 8 20.702 -4.907 -4.542 1.00 0.00 N ATOM 838 CA ASN B 8 19.641 -5.821 -4.948 1.00 0.00 C ATOM 839 C ASN B 8 18.422 -5.657 -4.049 1.00 0.00 C ATOM 840 O ASN B 8 17.317 -5.395 -4.525 1.00 0.00 O ATOM 841 CB ASN B 8 20.137 -7.268 -4.900 1.00 0.00 C ATOM 842 CG ASN B 8 19.917 -7.998 -6.210 1.00 0.00 C ATOM 843 OD1 ASN B 8 19.453 -7.414 -7.190 1.00 0.00 O ATOM 844 ND2 ASN B 8 20.249 -9.283 -6.235 1.00 0.00 N ATOM 0 H ASN B 8 21.493 -5.357 -4.080 1.00 0.00 H new ATOM 0 HA ASN B 8 19.355 -5.581 -5.972 1.00 0.00 H new ATOM 0 HB2 ASN B 8 21.199 -7.277 -4.656 1.00 0.00 H new ATOM 0 HB3 ASN B 8 19.622 -7.800 -4.100 1.00 0.00 H new ATOM 0 HD21 ASN B 8 20.123 -9.826 -7.089 1.00 0.00 H new ATOM 0 HD22 ASN B 8 20.630 -9.728 -5.400 1.00 0.00 H new ATOM 851 N GLU B 9 18.631 -5.803 -2.745 1.00 0.00 N ATOM 852 CA GLU B 9 17.548 -5.659 -1.780 1.00 0.00 C ATOM 853 C GLU B 9 16.983 -4.242 -1.818 1.00 0.00 C ATOM 854 O GLU B 9 15.834 -4.010 -1.442 1.00 0.00 O ATOM 855 CB GLU B 9 18.045 -5.987 -0.370 1.00 0.00 C ATOM 856 CG GLU B 9 17.404 -7.228 0.227 1.00 0.00 C ATOM 857 CD GLU B 9 17.485 -7.255 1.741 1.00 0.00 C ATOM 858 OE1 GLU B 9 18.583 -7.003 2.281 1.00 0.00 O ATOM 859 OE2 GLU B 9 16.451 -7.526 2.387 1.00 0.00 O ATOM 0 H GLU B 9 19.538 -6.020 -2.333 1.00 0.00 H new ATOM 0 HA GLU B 9 16.756 -6.358 -2.046 1.00 0.00 H new ATOM 0 HB2 GLU B 9 19.126 -6.124 -0.397 1.00 0.00 H new ATOM 0 HB3 GLU B 9 17.848 -5.137 0.283 1.00 0.00 H new ATOM 0 HG2 GLU B 9 16.359 -7.275 -0.078 1.00 0.00 H new ATOM 0 HG3 GLU B 9 17.894 -8.115 -0.175 1.00 0.00 H new ATOM 866 N ILE B 10 17.801 -3.299 -2.277 1.00 0.00 N ATOM 867 CA ILE B 10 17.392 -1.905 -2.370 1.00 0.00 C ATOM 868 C ILE B 10 16.412 -1.713 -3.533 1.00 0.00 C ATOM 869 O ILE B 10 15.387 -1.046 -3.390 1.00 0.00 O ATOM 870 CB ILE B 10 18.652 -0.979 -2.491 1.00 0.00 C ATOM 871 CG1 ILE B 10 18.803 -0.140 -1.222 1.00 0.00 C ATOM 872 CG2 ILE B 10 18.639 -0.068 -3.722 1.00 0.00 C ATOM 873 CD1 ILE B 10 20.180 -0.232 -0.601 1.00 0.00 C ATOM 0 H ILE B 10 18.755 -3.478 -2.591 1.00 0.00 H new ATOM 0 HA ILE B 10 16.867 -1.619 -1.459 1.00 0.00 H new ATOM 0 HB ILE B 10 19.508 -1.643 -2.615 1.00 0.00 H new ATOM 0 HG12 ILE B 10 18.587 0.902 -1.457 1.00 0.00 H new ATOM 0 HG13 ILE B 10 18.061 -0.462 -0.492 1.00 0.00 H new ATOM 0 HG21 ILE B 10 19.543 0.541 -3.734 1.00 0.00 H new ATOM 0 HG22 ILE B 10 18.600 -0.677 -4.625 1.00 0.00 H new ATOM 0 HG23 ILE B 10 17.765 0.582 -3.684 1.00 0.00 H new ATOM 0 HD11 ILE B 10 20.217 0.387 0.295 1.00 0.00 H new ATOM 0 HD12 ILE B 10 20.391 -1.268 -0.335 1.00 0.00 H new ATOM 0 HD13 ILE B 10 20.925 0.118 -1.315 1.00 0.00 H new ATOM 885 N SER B 11 16.736 -2.305 -4.677 1.00 0.00 N ATOM 886 CA SER B 11 15.888 -2.200 -5.858 1.00 0.00 C ATOM 887 C SER B 11 14.531 -2.850 -5.610 1.00 0.00 C ATOM 888 O SER B 11 13.515 -2.419 -6.159 1.00 0.00 O ATOM 889 CB SER B 11 16.569 -2.854 -7.061 1.00 0.00 C ATOM 890 OG SER B 11 16.337 -4.252 -7.080 1.00 0.00 O ATOM 0 H SER B 11 17.580 -2.862 -4.811 1.00 0.00 H new ATOM 0 HA SER B 11 15.731 -1.142 -6.071 1.00 0.00 H new ATOM 0 HB2 SER B 11 16.195 -2.407 -7.982 1.00 0.00 H new ATOM 0 HB3 SER B 11 17.641 -2.660 -7.026 1.00 0.00 H new ATOM 0 HG SER B 11 16.656 -4.648 -6.242 1.00 0.00 H new ATOM 896 N HIS B 12 14.519 -3.889 -4.781 1.00 0.00 N ATOM 897 CA HIS B 12 13.286 -4.595 -4.464 1.00 0.00 C ATOM 898 C HIS B 12 12.394 -3.733 -3.564 1.00 0.00 C ATOM 899 O HIS B 12 11.188 -3.632 -3.789 1.00 0.00 O ATOM 900 CB HIS B 12 13.622 -5.971 -3.839 1.00 0.00 C ATOM 901 CG HIS B 12 12.951 -6.284 -2.531 1.00 0.00 C ATOM 902 ND1 HIS B 12 13.457 -6.372 -1.280 1.00 0.00 N flip ATOM 903 CD2 HIS B 12 11.603 -6.556 -2.418 1.00 0.00 C flip ATOM 904 CE1 HIS B 12 12.417 -6.692 -0.443 1.00 0.00 C flip ATOM 905 NE2 HIS B 12 11.309 -6.796 -1.153 1.00 0.00 N flip ATOM 0 H HIS B 12 15.349 -4.259 -4.318 1.00 0.00 H new ATOM 0 HA HIS B 12 12.718 -4.782 -5.375 1.00 0.00 H new ATOM 0 HB2 HIS B 12 13.356 -6.748 -4.556 1.00 0.00 H new ATOM 0 HB3 HIS B 12 14.701 -6.028 -3.694 1.00 0.00 H new ATOM 0 HD2 HIS B 12 10.898 -6.570 -3.236 1.00 0.00 H new ATOM 0 HE1 HIS B 12 12.493 -6.836 0.625 1.00 0.00 H new ATOM 0 HE2 HIS B 12 10.384 -7.023 -0.787 1.00 0.00 H new ATOM 914 N HIS B 13 12.994 -3.104 -2.555 1.00 0.00 N ATOM 915 CA HIS B 13 12.239 -2.248 -1.647 1.00 0.00 C ATOM 916 C HIS B 13 11.643 -1.069 -2.406 1.00 0.00 C ATOM 917 O HIS B 13 10.617 -0.519 -2.011 1.00 0.00 O ATOM 918 CB HIS B 13 13.124 -1.727 -0.514 1.00 0.00 C ATOM 919 CG HIS B 13 13.920 -2.785 0.180 1.00 0.00 C ATOM 920 ND1 HIS B 13 13.494 -4.089 0.313 1.00 0.00 N ATOM 921 CD2 HIS B 13 15.125 -2.718 0.790 1.00 0.00 C ATOM 922 CE1 HIS B 13 14.405 -4.780 0.977 1.00 0.00 C ATOM 923 NE2 HIS B 13 15.403 -3.971 1.277 1.00 0.00 N ATOM 0 H HIS B 13 13.991 -3.171 -2.348 1.00 0.00 H new ATOM 0 HA HIS B 13 11.438 -2.848 -1.215 1.00 0.00 H new ATOM 0 HB2 HIS B 13 13.808 -0.980 -0.917 1.00 0.00 H new ATOM 0 HB3 HIS B 13 12.496 -1.222 0.219 1.00 0.00 H new ATOM 0 HD2 HIS B 13 15.751 -1.843 0.878 1.00 0.00 H new ATOM 0 HE1 HIS B 13 14.343 -5.828 1.231 1.00 0.00 H new ATOM 0 HE2 HIS B 13 16.245 -4.234 1.788 1.00 0.00 H new ATOM 932 N ALA B 14 12.299 -0.685 -3.498 1.00 0.00 N ATOM 933 CA ALA B 14 11.836 0.429 -4.314 1.00 0.00 C ATOM 934 C ALA B 14 10.537 0.069 -5.018 1.00 0.00 C ATOM 935 O ALA B 14 9.533 0.767 -4.884 1.00 0.00 O ATOM 936 CB ALA B 14 12.900 0.823 -5.328 1.00 0.00 C ATOM 0 H ALA B 14 13.152 -1.130 -3.836 1.00 0.00 H new ATOM 0 HA ALA B 14 11.649 1.281 -3.661 1.00 0.00 H new ATOM 0 HB1 ALA B 14 12.538 1.657 -5.930 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.809 1.121 -4.805 1.00 0.00 H new ATOM 0 HB3 ALA B 14 13.116 -0.026 -5.977 1.00 0.00 H new ATOM 942 N LYS B 15 10.560 -1.034 -5.755 1.00 0.00 N ATOM 943 CA LYS B 15 9.376 -1.495 -6.465 1.00 0.00 C ATOM 944 C LYS B 15 8.294 -1.942 -5.481 1.00 0.00 C ATOM 945 O LYS B 15 7.139 -2.126 -5.861 1.00 0.00 O ATOM 946 CB LYS B 15 9.735 -2.647 -7.405 1.00 0.00 C ATOM 947 CG LYS B 15 10.536 -2.212 -8.621 1.00 0.00 C ATOM 948 CD LYS B 15 9.995 -2.837 -9.897 1.00 0.00 C ATOM 949 CE LYS B 15 11.118 -3.238 -10.840 1.00 0.00 C ATOM 950 NZ LYS B 15 11.961 -2.074 -11.228 1.00 0.00 N ATOM 0 H LYS B 15 11.383 -1.624 -5.876 1.00 0.00 H new ATOM 0 HA LYS B 15 8.988 -0.664 -7.054 1.00 0.00 H new ATOM 0 HB2 LYS B 15 10.306 -3.392 -6.851 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.818 -3.132 -7.739 1.00 0.00 H new ATOM 0 HG2 LYS B 15 10.508 -1.126 -8.707 1.00 0.00 H new ATOM 0 HG3 LYS B 15 11.580 -2.495 -8.490 1.00 0.00 H new ATOM 0 HD2 LYS B 15 9.396 -3.713 -9.649 1.00 0.00 H new ATOM 0 HD3 LYS B 15 9.333 -2.130 -10.397 1.00 0.00 H new ATOM 0 HE2 LYS B 15 11.741 -3.994 -10.362 1.00 0.00 H new ATOM 0 HE3 LYS B 15 10.695 -3.694 -11.735 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 12.628 -2.361 -11.973 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 11.353 -1.308 -11.584 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 12.492 -1.738 -10.399 1.00 0.00 H new ATOM 964 N GLU B 16 8.675 -2.119 -4.214 1.00 0.00 N ATOM 965 CA GLU B 16 7.732 -2.546 -3.188 1.00 0.00 C ATOM 966 C GLU B 16 6.972 -1.359 -2.608 1.00 0.00 C ATOM 967 O GLU B 16 5.787 -1.469 -2.297 1.00 0.00 O ATOM 968 CB GLU B 16 8.464 -3.294 -2.072 1.00 0.00 C ATOM 969 CG GLU B 16 8.325 -4.805 -2.160 1.00 0.00 C ATOM 970 CD GLU B 16 6.926 -5.283 -1.822 1.00 0.00 C ATOM 971 OE1 GLU B 16 6.031 -5.156 -2.684 1.00 0.00 O ATOM 972 OE2 GLU B 16 6.725 -5.782 -0.695 1.00 0.00 O ATOM 0 H GLU B 16 9.627 -1.973 -3.879 1.00 0.00 H new ATOM 0 HA GLU B 16 7.011 -3.217 -3.655 1.00 0.00 H new ATOM 0 HB2 GLU B 16 9.522 -3.032 -2.104 1.00 0.00 H new ATOM 0 HB3 GLU B 16 8.081 -2.958 -1.109 1.00 0.00 H new ATOM 0 HG2 GLU B 16 8.583 -5.132 -3.167 1.00 0.00 H new ATOM 0 HG3 GLU B 16 9.038 -5.272 -1.481 1.00 0.00 H new ATOM 979 N ILE B 17 7.650 -0.222 -2.466 1.00 0.00 N ATOM 980 CA ILE B 17 7.010 0.973 -1.928 1.00 0.00 C ATOM 981 C ILE B 17 6.160 1.648 -2.997 1.00 0.00 C ATOM 982 O ILE B 17 5.129 2.252 -2.697 1.00 0.00 O ATOM 983 CB ILE B 17 8.049 1.974 -1.379 1.00 0.00 C ATOM 984 CG1 ILE B 17 7.356 3.241 -0.857 1.00 0.00 C ATOM 985 CG2 ILE B 17 9.083 2.310 -2.445 1.00 0.00 C ATOM 986 CD1 ILE B 17 6.977 4.235 -1.938 1.00 0.00 C ATOM 0 H ILE B 17 8.632 -0.105 -2.714 1.00 0.00 H new ATOM 0 HA ILE B 17 6.371 0.659 -1.103 1.00 0.00 H new ATOM 0 HB ILE B 17 8.570 1.509 -0.542 1.00 0.00 H new ATOM 0 HG12 ILE B 17 6.456 2.952 -0.314 1.00 0.00 H new ATOM 0 HG13 ILE B 17 8.015 3.733 -0.142 1.00 0.00 H new ATOM 0 HG21 ILE B 17 9.807 3.017 -2.040 1.00 0.00 H new ATOM 0 HG22 ILE B 17 9.598 1.400 -2.752 1.00 0.00 H new ATOM 0 HG23 ILE B 17 8.586 2.754 -3.307 1.00 0.00 H new ATOM 0 HD11 ILE B 17 6.493 5.100 -1.484 1.00 0.00 H new ATOM 0 HD12 ILE B 17 7.874 4.557 -2.467 1.00 0.00 H new ATOM 0 HD13 ILE B 17 6.291 3.763 -2.642 1.00 0.00 H new ATOM 998 N GLU B 18 6.592 1.528 -4.247 1.00 0.00 N ATOM 999 CA GLU B 18 5.864 2.113 -5.364 1.00 0.00 C ATOM 1000 C GLU B 18 4.703 1.214 -5.770 1.00 0.00 C ATOM 1001 O GLU B 18 3.614 1.692 -6.089 1.00 0.00 O ATOM 1002 CB GLU B 18 6.800 2.332 -6.555 1.00 0.00 C ATOM 1003 CG GLU B 18 7.167 3.789 -6.781 1.00 0.00 C ATOM 1004 CD GLU B 18 7.392 4.113 -8.245 1.00 0.00 C ATOM 1005 OE1 GLU B 18 7.544 3.166 -9.046 1.00 0.00 O ATOM 1006 OE2 GLU B 18 7.417 5.313 -8.591 1.00 0.00 O ATOM 0 H GLU B 18 7.443 1.031 -4.511 1.00 0.00 H new ATOM 0 HA GLU B 18 5.467 3.078 -5.049 1.00 0.00 H new ATOM 0 HB2 GLU B 18 7.712 1.756 -6.400 1.00 0.00 H new ATOM 0 HB3 GLU B 18 6.326 1.942 -7.456 1.00 0.00 H new ATOM 0 HG2 GLU B 18 6.373 4.425 -6.390 1.00 0.00 H new ATOM 0 HG3 GLU B 18 8.070 4.024 -6.218 1.00 0.00 H new ATOM 1013 N ARG B 19 4.940 -0.095 -5.744 1.00 0.00 N ATOM 1014 CA ARG B 19 3.909 -1.060 -6.099 1.00 0.00 C ATOM 1015 C ARG B 19 2.879 -1.168 -4.984 1.00 0.00 C ATOM 1016 O ARG B 19 1.709 -1.461 -5.230 1.00 0.00 O ATOM 1017 CB ARG B 19 4.531 -2.431 -6.375 1.00 0.00 C ATOM 1018 CG ARG B 19 3.545 -3.445 -6.931 1.00 0.00 C ATOM 1019 CD ARG B 19 4.200 -4.800 -7.144 1.00 0.00 C ATOM 1020 NE ARG B 19 3.917 -5.722 -6.047 1.00 0.00 N ATOM 1021 CZ ARG B 19 4.167 -7.026 -6.099 1.00 0.00 C ATOM 1022 NH1 ARG B 19 4.704 -7.557 -7.189 1.00 0.00 N ATOM 1023 NH2 ARG B 19 3.882 -7.800 -5.061 1.00 0.00 N ATOM 0 H ARG B 19 5.835 -0.509 -5.481 1.00 0.00 H new ATOM 0 HA ARG B 19 3.411 -0.714 -7.005 1.00 0.00 H new ATOM 0 HB2 ARG B 19 5.354 -2.312 -7.080 1.00 0.00 H new ATOM 0 HB3 ARG B 19 4.957 -2.820 -5.450 1.00 0.00 H new ATOM 0 HG2 ARG B 19 2.704 -3.550 -6.246 1.00 0.00 H new ATOM 0 HG3 ARG B 19 3.142 -3.082 -7.876 1.00 0.00 H new ATOM 0 HD2 ARG B 19 3.846 -5.231 -8.080 1.00 0.00 H new ATOM 0 HD3 ARG B 19 5.278 -4.671 -7.240 1.00 0.00 H new ATOM 0 HE ARG B 19 3.505 -5.344 -5.194 1.00 0.00 H new ATOM 0 HH11 ARG B 19 4.926 -6.964 -7.989 1.00 0.00 H new ATOM 0 HH12 ARG B 19 4.895 -8.558 -7.227 1.00 0.00 H new ATOM 0 HH21 ARG B 19 3.470 -7.395 -4.221 1.00 0.00 H new ATOM 0 HH22 ARG B 19 4.075 -8.801 -5.103 1.00 0.00 H new ATOM 1037 N LEU B 20 3.321 -0.915 -3.756 1.00 0.00 N ATOM 1038 CA LEU B 20 2.434 -0.971 -2.606 1.00 0.00 C ATOM 1039 C LEU B 20 1.499 0.229 -2.608 1.00 0.00 C ATOM 1040 O LEU B 20 0.310 0.102 -2.323 1.00 0.00 O ATOM 1041 CB LEU B 20 3.241 -1.007 -1.307 1.00 0.00 C ATOM 1042 CG LEU B 20 3.717 -2.396 -0.879 1.00 0.00 C ATOM 1043 CD1 LEU B 20 4.877 -2.285 0.099 1.00 0.00 C ATOM 1044 CD2 LEU B 20 2.572 -3.185 -0.262 1.00 0.00 C ATOM 0 H LEU B 20 4.286 -0.670 -3.535 1.00 0.00 H new ATOM 0 HA LEU B 20 1.840 -1.883 -2.670 1.00 0.00 H new ATOM 0 HB2 LEU B 20 4.111 -0.360 -1.420 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.632 -0.586 -0.507 1.00 0.00 H new ATOM 0 HG LEU B 20 4.064 -2.929 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU B 20 5.202 -3.283 0.392 1.00 0.00 H new ATOM 0 HD12 LEU B 20 5.705 -1.759 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU B 20 4.556 -1.733 0.983 1.00 0.00 H new ATOM 0 HD21 LEU B 20 2.929 -4.171 0.037 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.195 -2.655 0.613 1.00 0.00 H new ATOM 0 HD23 LEU B 20 1.771 -3.295 -0.993 1.00 0.00 H new ATOM 1056 N GLN B 21 2.048 1.396 -2.937 1.00 0.00 N ATOM 1057 CA GLN B 21 1.263 2.623 -2.983 1.00 0.00 C ATOM 1058 C GLN B 21 0.158 2.516 -4.028 1.00 0.00 C ATOM 1059 O GLN B 21 -0.979 2.919 -3.787 1.00 0.00 O ATOM 1060 CB GLN B 21 2.164 3.819 -3.295 1.00 0.00 C ATOM 1061 CG GLN B 21 1.541 5.159 -2.939 1.00 0.00 C ATOM 1062 CD GLN B 21 2.508 6.079 -2.222 1.00 0.00 C ATOM 1063 OE1 GLN B 21 2.196 6.624 -1.163 1.00 0.00 O ATOM 1064 NE2 GLN B 21 3.692 6.258 -2.796 1.00 0.00 N ATOM 0 H GLN B 21 3.033 1.516 -3.175 1.00 0.00 H new ATOM 0 HA GLN B 21 0.804 2.771 -2.006 1.00 0.00 H new ATOM 0 HB2 GLN B 21 3.102 3.708 -2.751 1.00 0.00 H new ATOM 0 HB3 GLN B 21 2.408 3.812 -4.357 1.00 0.00 H new ATOM 0 HG2 GLN B 21 1.190 5.645 -3.849 1.00 0.00 H new ATOM 0 HG3 GLN B 21 0.668 4.993 -2.308 1.00 0.00 H new ATOM 0 HE21 GLN B 21 3.910 5.787 -3.674 1.00 0.00 H new ATOM 0 HE22 GLN B 21 4.384 6.867 -2.359 1.00 0.00 H new ATOM 1073 N LYS B 22 0.498 1.966 -5.189 1.00 0.00 N ATOM 1074 CA LYS B 22 -0.472 1.806 -6.266 1.00 0.00 C ATOM 1075 C LYS B 22 -1.583 0.845 -5.854 1.00 0.00 C ATOM 1076 O LYS B 22 -2.749 1.043 -6.196 1.00 0.00 O ATOM 1077 CB LYS B 22 0.220 1.293 -7.531 1.00 0.00 C ATOM 1078 CG LYS B 22 -0.678 1.295 -8.758 1.00 0.00 C ATOM 1079 CD LYS B 22 -0.381 0.113 -9.666 1.00 0.00 C ATOM 1080 CE LYS B 22 -0.588 -1.209 -8.945 1.00 0.00 C ATOM 1081 NZ LYS B 22 -1.109 -2.264 -9.857 1.00 0.00 N ATOM 0 H LYS B 22 1.434 1.625 -5.408 1.00 0.00 H new ATOM 0 HA LYS B 22 -0.915 2.780 -6.473 1.00 0.00 H new ATOM 0 HB2 LYS B 22 1.096 1.909 -7.731 1.00 0.00 H new ATOM 0 HB3 LYS B 22 0.577 0.279 -7.354 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -1.722 1.263 -8.446 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -0.539 2.224 -9.311 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -1.027 0.155 -10.543 1.00 0.00 H new ATOM 0 HD3 LYS B 22 0.647 0.177 -10.024 1.00 0.00 H new ATOM 0 HE2 LYS B 22 0.357 -1.538 -8.512 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -1.285 -1.067 -8.119 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -1.236 -3.149 -9.327 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -2.023 -1.962 -10.251 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -0.432 -2.419 -10.631 1.00 0.00 H new ATOM 1095 N GLU B 23 -1.211 -0.198 -5.118 1.00 0.00 N ATOM 1096 CA GLU B 23 -2.173 -1.193 -4.659 1.00 0.00 C ATOM 1097 C GLU B 23 -3.178 -0.581 -3.687 1.00 0.00 C ATOM 1098 O GLU B 23 -4.363 -0.919 -3.711 1.00 0.00 O ATOM 1099 CB GLU B 23 -1.447 -2.361 -3.989 1.00 0.00 C ATOM 1100 CG GLU B 23 -2.250 -3.651 -3.978 1.00 0.00 C ATOM 1101 CD GLU B 23 -1.382 -4.877 -3.772 1.00 0.00 C ATOM 1102 OE1 GLU B 23 -0.512 -4.844 -2.877 1.00 0.00 O ATOM 1103 OE2 GLU B 23 -1.573 -5.870 -4.505 1.00 0.00 O ATOM 0 H GLU B 23 -0.250 -0.376 -4.827 1.00 0.00 H new ATOM 0 HA GLU B 23 -2.718 -1.559 -5.529 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -0.503 -2.535 -4.505 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -1.203 -2.086 -2.963 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -2.997 -3.602 -3.186 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -2.790 -3.747 -4.920 1.00 0.00 H new ATOM 1110 N ILE B 24 -2.704 0.320 -2.832 1.00 0.00 N ATOM 1111 CA ILE B 24 -3.576 0.968 -1.858 1.00 0.00 C ATOM 1112 C ILE B 24 -4.621 1.827 -2.572 1.00 0.00 C ATOM 1113 O ILE B 24 -5.789 1.858 -2.185 1.00 0.00 O ATOM 1114 CB ILE B 24 -2.776 1.813 -0.811 1.00 0.00 C ATOM 1115 CG1 ILE B 24 -2.632 3.284 -1.229 1.00 0.00 C ATOM 1116 CG2 ILE B 24 -1.399 1.210 -0.569 1.00 0.00 C ATOM 1117 CD1 ILE B 24 -3.825 4.132 -0.844 1.00 0.00 C ATOM 0 H ILE B 24 -1.729 0.616 -2.793 1.00 0.00 H new ATOM 0 HA ILE B 24 -4.085 0.181 -1.301 1.00 0.00 H new ATOM 0 HB ILE B 24 -3.352 1.787 0.114 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -1.735 3.700 -0.769 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -2.490 3.336 -2.308 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -0.861 1.814 0.162 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -1.508 0.194 -0.190 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -0.841 1.190 -1.505 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -3.660 5.160 -1.167 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -4.721 3.739 -1.325 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -3.954 4.108 0.238 1.00 0.00 H new ATOM 1129 N GLU B 25 -4.185 2.518 -3.623 1.00 0.00 N ATOM 1130 CA GLU B 25 -5.073 3.372 -4.400 1.00 0.00 C ATOM 1131 C GLU B 25 -6.225 2.559 -4.976 1.00 0.00 C ATOM 1132 O GLU B 25 -7.381 2.979 -4.923 1.00 0.00 O ATOM 1133 CB GLU B 25 -4.300 4.057 -5.529 1.00 0.00 C ATOM 1134 CG GLU B 25 -4.922 5.366 -5.985 1.00 0.00 C ATOM 1135 CD GLU B 25 -3.963 6.536 -5.875 1.00 0.00 C ATOM 1136 OE1 GLU B 25 -3.083 6.666 -6.751 1.00 0.00 O ATOM 1137 OE2 GLU B 25 -4.093 7.321 -4.913 1.00 0.00 O ATOM 0 H GLU B 25 -3.220 2.501 -3.954 1.00 0.00 H new ATOM 0 HA GLU B 25 -5.480 4.136 -3.738 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.279 4.246 -5.197 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -4.238 3.378 -6.380 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -5.251 5.267 -7.019 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -5.809 5.571 -5.386 1.00 0.00 H new ATOM 1144 N ARG B 26 -5.904 1.389 -5.518 1.00 0.00 N ATOM 1145 CA ARG B 26 -6.916 0.514 -6.094 1.00 0.00 C ATOM 1146 C ARG B 26 -7.999 0.211 -5.066 1.00 0.00 C ATOM 1147 O ARG B 26 -9.192 0.343 -5.343 1.00 0.00 O ATOM 1148 CB ARG B 26 -6.281 -0.788 -6.586 1.00 0.00 C ATOM 1149 CG ARG B 26 -6.829 -1.266 -7.920 1.00 0.00 C ATOM 1150 CD ARG B 26 -5.914 -0.876 -9.070 1.00 0.00 C ATOM 1151 NE ARG B 26 -6.547 -1.088 -10.369 1.00 0.00 N ATOM 1152 CZ ARG B 26 -6.779 -2.290 -10.887 1.00 0.00 C ATOM 1153 NH1 ARG B 26 -6.432 -3.381 -10.217 1.00 0.00 N ATOM 1154 NH2 ARG B 26 -7.359 -2.402 -12.074 1.00 0.00 N ATOM 0 H ARG B 26 -4.952 1.026 -5.570 1.00 0.00 H new ATOM 0 HA ARG B 26 -7.369 1.024 -6.944 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -5.204 -0.646 -6.675 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -6.439 -1.565 -5.838 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -6.947 -2.349 -7.899 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -7.819 -0.840 -8.081 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -5.633 0.173 -8.970 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -4.994 -1.459 -9.015 1.00 0.00 H new ATOM 0 HE ARG B 26 -6.826 -0.269 -10.908 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -5.987 -3.298 -9.303 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -6.611 -4.303 -10.616 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -7.628 -1.565 -12.591 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -7.536 -3.325 -12.470 1.00 0.00 H new ATOM 1168 N HIS B 27 -7.572 -0.187 -3.871 1.00 0.00 N ATOM 1169 CA HIS B 27 -8.504 -0.498 -2.795 1.00 0.00 C ATOM 1170 C HIS B 27 -9.274 0.750 -2.375 1.00 0.00 C ATOM 1171 O HIS B 27 -10.381 0.660 -1.843 1.00 0.00 O ATOM 1172 CB HIS B 27 -7.755 -1.079 -1.594 1.00 0.00 C ATOM 1173 CG HIS B 27 -7.819 -2.573 -1.516 1.00 0.00 C ATOM 1174 ND1 HIS B 27 -8.912 -3.256 -1.025 1.00 0.00 N ATOM 1175 CD2 HIS B 27 -6.916 -3.518 -1.872 1.00 0.00 C ATOM 1176 CE1 HIS B 27 -8.678 -4.555 -1.080 1.00 0.00 C ATOM 1177 NE2 HIS B 27 -7.475 -4.740 -1.590 1.00 0.00 N ATOM 0 H HIS B 27 -6.589 -0.301 -3.625 1.00 0.00 H new ATOM 0 HA HIS B 27 -9.214 -1.239 -3.161 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -6.711 -0.770 -1.643 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -8.170 -0.657 -0.678 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -5.939 -3.343 -2.298 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -9.356 -5.333 -0.762 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -7.032 -5.645 -1.749 1.00 0.00 H new ATOM 1186 N LYS B 28 -8.681 1.916 -2.620 1.00 0.00 N ATOM 1187 CA LYS B 28 -9.310 3.183 -2.271 1.00 0.00 C ATOM 1188 C LYS B 28 -10.400 3.542 -3.275 1.00 0.00 C ATOM 1189 O LYS B 28 -11.344 4.263 -2.951 1.00 0.00 O ATOM 1190 CB LYS B 28 -8.264 4.298 -2.216 1.00 0.00 C ATOM 1191 CG LYS B 28 -8.747 5.552 -1.505 1.00 0.00 C ATOM 1192 CD LYS B 28 -8.373 6.808 -2.276 1.00 0.00 C ATOM 1193 CE LYS B 28 -9.260 6.999 -3.495 1.00 0.00 C ATOM 1194 NZ LYS B 28 -9.571 8.434 -3.737 1.00 0.00 N ATOM 0 H LYS B 28 -7.765 2.008 -3.059 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.767 3.075 -1.287 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -7.373 3.924 -1.711 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -7.969 4.558 -3.232 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -9.829 5.508 -1.382 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -8.314 5.595 -0.506 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.459 7.676 -1.623 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.331 6.747 -2.589 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.766 6.582 -4.372 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -10.188 6.445 -3.359 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -10.296 8.512 -4.479 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -9.926 8.865 -2.860 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -8.709 8.929 -4.042 1.00 0.00 H new ATOM 1208 N GLN B 29 -10.263 3.033 -4.495 1.00 0.00 N ATOM 1209 CA GLN B 29 -11.237 3.298 -5.547 1.00 0.00 C ATOM 1210 C GLN B 29 -12.473 2.424 -5.372 1.00 0.00 C ATOM 1211 O GLN B 29 -13.592 2.850 -5.656 1.00 0.00 O ATOM 1212 CB GLN B 29 -10.613 3.051 -6.922 1.00 0.00 C ATOM 1213 CG GLN B 29 -11.322 3.783 -8.051 1.00 0.00 C ATOM 1214 CD GLN B 29 -10.483 3.863 -9.311 1.00 0.00 C ATOM 1215 OE1 GLN B 29 -9.515 3.119 -9.475 1.00 0.00 O ATOM 1216 NE2 GLN B 29 -10.850 4.769 -10.210 1.00 0.00 N ATOM 0 H GLN B 29 -9.487 2.435 -4.779 1.00 0.00 H new ATOM 0 HA GLN B 29 -11.539 4.343 -5.476 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -9.568 3.361 -6.899 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -10.624 1.981 -7.130 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -12.260 3.276 -8.275 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -11.575 4.791 -7.723 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -11.659 5.365 -10.033 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -10.323 4.869 -11.078 1.00 0.00 H new ATOM 1225 N SER B 30 -12.263 1.199 -4.901 1.00 0.00 N ATOM 1226 CA SER B 30 -13.362 0.265 -4.687 1.00 0.00 C ATOM 1227 C SER B 30 -14.166 0.647 -3.448 1.00 0.00 C ATOM 1228 O SER B 30 -15.387 0.495 -3.417 1.00 0.00 O ATOM 1229 CB SER B 30 -12.827 -1.161 -4.542 1.00 0.00 C ATOM 1230 OG SER B 30 -11.743 -1.210 -3.631 1.00 0.00 O ATOM 0 H SER B 30 -11.343 0.830 -4.661 1.00 0.00 H new ATOM 0 HA SER B 30 -14.020 0.312 -5.555 1.00 0.00 H new ATOM 0 HB2 SER B 30 -13.625 -1.819 -4.198 1.00 0.00 H new ATOM 0 HB3 SER B 30 -12.505 -1.532 -5.515 1.00 0.00 H new ATOM 0 HG SER B 30 -11.664 -0.349 -3.170 1.00 0.00 H new ATOM 1236 N ILE B 31 -13.473 1.146 -2.429 1.00 0.00 N ATOM 1237 CA ILE B 31 -14.122 1.553 -1.189 1.00 0.00 C ATOM 1238 C ILE B 31 -14.816 2.901 -1.354 1.00 0.00 C ATOM 1239 O ILE B 31 -15.814 3.182 -0.691 1.00 0.00 O ATOM 1240 CB ILE B 31 -13.105 1.634 -0.033 1.00 0.00 C ATOM 1241 CG1 ILE B 31 -13.773 2.118 1.256 1.00 0.00 C ATOM 1242 CG2 ILE B 31 -11.952 2.550 -0.408 1.00 0.00 C ATOM 1243 CD1 ILE B 31 -14.621 1.062 1.928 1.00 0.00 C ATOM 0 H ILE B 31 -12.462 1.278 -2.438 1.00 0.00 H new ATOM 0 HA ILE B 31 -14.870 0.797 -0.948 1.00 0.00 H new ATOM 0 HB ILE B 31 -12.715 0.632 0.145 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -13.003 2.452 1.952 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -14.396 2.984 1.030 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -11.242 2.598 0.418 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -11.452 2.161 -1.295 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -12.334 3.549 -0.616 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -15.064 1.474 2.835 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -15.413 0.745 1.249 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -13.999 0.205 2.185 1.00 0.00 H new ATOM 1255 N LYS B 32 -14.282 3.730 -2.245 1.00 0.00 N ATOM 1256 CA LYS B 32 -14.853 5.047 -2.500 1.00 0.00 C ATOM 1257 C LYS B 32 -16.065 4.943 -3.419 1.00 0.00 C ATOM 1258 O LYS B 32 -17.003 5.734 -3.319 1.00 0.00 O ATOM 1259 CB LYS B 32 -13.803 5.970 -3.121 1.00 0.00 C ATOM 1260 CG LYS B 32 -14.276 7.405 -3.283 1.00 0.00 C ATOM 1261 CD LYS B 32 -14.026 8.219 -2.024 1.00 0.00 C ATOM 1262 CE LYS B 32 -12.671 8.907 -2.065 1.00 0.00 C ATOM 1263 NZ LYS B 32 -11.965 8.823 -0.757 1.00 0.00 N ATOM 0 H LYS B 32 -13.455 3.513 -2.802 1.00 0.00 H new ATOM 0 HA LYS B 32 -15.176 5.467 -1.548 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -12.908 5.959 -2.499 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -13.518 5.578 -4.097 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -13.760 7.867 -4.125 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -15.340 7.414 -3.518 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -14.811 8.966 -1.911 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -14.078 7.567 -1.152 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -12.055 8.450 -2.840 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -12.804 9.954 -2.339 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -11.046 9.304 -0.827 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -12.540 9.282 -0.022 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -11.815 7.825 -0.507 1.00 0.00 H new ATOM 1277 N LYS B 33 -16.040 3.959 -4.313 1.00 0.00 N ATOM 1278 CA LYS B 33 -17.138 3.749 -5.248 1.00 0.00 C ATOM 1279 C LYS B 33 -18.290 3.015 -4.571 1.00 0.00 C ATOM 1280 O LYS B 33 -19.458 3.257 -4.874 1.00 0.00 O ATOM 1281 CB LYS B 33 -16.657 2.957 -6.465 1.00 0.00 C ATOM 1282 CG LYS B 33 -17.588 3.057 -7.663 1.00 0.00 C ATOM 1283 CD LYS B 33 -17.013 3.959 -8.742 1.00 0.00 C ATOM 1284 CE LYS B 33 -17.313 5.423 -8.463 1.00 0.00 C ATOM 1285 NZ LYS B 33 -18.299 5.981 -9.430 1.00 0.00 N ATOM 0 H LYS B 33 -15.271 3.295 -4.409 1.00 0.00 H new ATOM 0 HA LYS B 33 -17.494 4.725 -5.579 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -15.668 3.314 -6.753 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -16.548 1.909 -6.186 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -17.762 2.062 -8.074 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -18.555 3.443 -7.342 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -15.935 3.813 -8.803 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -17.428 3.680 -9.710 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -17.699 5.528 -7.449 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -16.389 5.999 -8.513 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -18.477 6.981 -9.206 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -17.920 5.904 -10.395 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -19.190 5.448 -9.364 1.00 0.00 H new ATOM 1299 N LEU B 34 -17.950 2.119 -3.650 1.00 0.00 N ATOM 1300 CA LEU B 34 -18.955 1.351 -2.925 1.00 0.00 C ATOM 1301 C LEU B 34 -19.589 2.195 -1.824 1.00 0.00 C ATOM 1302 O LEU B 34 -20.744 1.986 -1.456 1.00 0.00 O ATOM 1303 CB LEU B 34 -18.328 0.092 -2.323 1.00 0.00 C ATOM 1304 CG LEU B 34 -18.648 -1.208 -3.063 1.00 0.00 C ATOM 1305 CD1 LEU B 34 -17.472 -2.169 -2.986 1.00 0.00 C ATOM 1306 CD2 LEU B 34 -19.902 -1.852 -2.491 1.00 0.00 C ATOM 0 H LEU B 34 -16.987 1.907 -3.388 1.00 0.00 H new ATOM 0 HA LEU B 34 -19.734 1.058 -3.629 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -17.246 0.220 -2.297 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -18.663 -0.004 -1.290 1.00 0.00 H new ATOM 0 HG LEU B 34 -18.830 -0.971 -4.111 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -17.718 -3.088 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -16.596 -1.709 -3.443 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -17.258 -2.400 -1.942 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -20.115 -2.776 -3.029 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -19.747 -2.075 -1.435 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -20.744 -1.168 -2.598 1.00 0.00 H new ATOM 1318 N LYS B 35 -18.824 3.151 -1.305 1.00 0.00 N ATOM 1319 CA LYS B 35 -19.312 4.028 -0.248 1.00 0.00 C ATOM 1320 C LYS B 35 -20.191 5.133 -0.824 1.00 0.00 C ATOM 1321 O LYS B 35 -21.153 5.568 -0.191 1.00 0.00 O ATOM 1322 CB LYS B 35 -18.138 4.642 0.518 1.00 0.00 C ATOM 1323 CG LYS B 35 -18.525 5.202 1.877 1.00 0.00 C ATOM 1324 CD LYS B 35 -18.174 6.676 1.992 1.00 0.00 C ATOM 1325 CE LYS B 35 -16.675 6.902 1.884 1.00 0.00 C ATOM 1326 NZ LYS B 35 -16.264 8.201 2.483 1.00 0.00 N ATOM 0 H LYS B 35 -17.865 3.337 -1.599 1.00 0.00 H new ATOM 0 HA LYS B 35 -19.911 3.430 0.439 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -17.367 3.884 0.653 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -17.700 5.439 -0.083 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -19.595 5.068 2.036 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -18.014 4.643 2.661 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -18.685 7.235 1.208 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -18.534 7.063 2.945 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -16.149 6.089 2.384 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -16.379 6.876 0.835 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -15.235 8.317 2.389 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -16.746 8.979 1.989 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -16.523 8.216 3.490 1.00 0.00 H new ATOM 1340 N GLN B 36 -19.857 5.580 -2.031 1.00 0.00 N ATOM 1341 CA GLN B 36 -20.618 6.631 -2.693 1.00 0.00 C ATOM 1342 C GLN B 36 -21.916 6.078 -3.272 1.00 0.00 C ATOM 1343 O GLN B 36 -22.923 6.781 -3.349 1.00 0.00 O ATOM 1344 CB GLN B 36 -19.783 7.273 -3.803 1.00 0.00 C ATOM 1345 CG GLN B 36 -20.533 8.333 -4.592 1.00 0.00 C ATOM 1346 CD GLN B 36 -20.579 8.030 -6.077 1.00 0.00 C ATOM 1347 OE1 GLN B 36 -20.386 6.890 -6.496 1.00 0.00 O ATOM 1348 NE2 GLN B 36 -20.836 9.055 -6.882 1.00 0.00 N ATOM 0 H GLN B 36 -19.064 5.230 -2.569 1.00 0.00 H new ATOM 0 HA GLN B 36 -20.866 7.390 -1.950 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -18.892 7.722 -3.363 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -19.443 6.495 -4.487 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -21.551 8.413 -4.210 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -20.057 9.301 -4.437 1.00 0.00 H new ATOM 0 HE21 GLN B 36 -20.990 9.984 -6.491 1.00 0.00 H new ATOM 0 HE22 GLN B 36 -20.879 8.913 -7.891 1.00 0.00 H new ATOM 1357 N SER B 37 -21.884 4.812 -3.675 1.00 0.00 N ATOM 1358 CA SER B 37 -23.059 4.162 -4.244 1.00 0.00 C ATOM 1359 C SER B 37 -24.062 3.805 -3.152 1.00 0.00 C ATOM 1360 O SER B 37 -25.262 3.704 -3.406 1.00 0.00 O ATOM 1361 CB SER B 37 -22.651 2.902 -5.010 1.00 0.00 C ATOM 1362 OG SER B 37 -23.527 2.659 -6.097 1.00 0.00 O ATOM 0 H SER B 37 -21.058 4.216 -3.618 1.00 0.00 H new ATOM 0 HA SER B 37 -23.532 4.860 -4.935 1.00 0.00 H new ATOM 0 HB2 SER B 37 -21.631 3.011 -5.378 1.00 0.00 H new ATOM 0 HB3 SER B 37 -22.657 2.045 -4.336 1.00 0.00 H new ATOM 0 HG SER B 37 -23.244 1.849 -6.571 1.00 0.00 H new ATOM 1368 N GLU B 38 -23.561 3.618 -1.935 1.00 0.00 N ATOM 1369 CA GLU B 38 -24.413 3.274 -0.803 1.00 0.00 C ATOM 1370 C GLU B 38 -25.214 4.487 -0.339 1.00 0.00 C ATOM 1371 O GLU B 38 -26.293 4.348 0.236 1.00 0.00 O ATOM 1372 CB GLU B 38 -23.569 2.734 0.352 1.00 0.00 C ATOM 1373 CG GLU B 38 -24.216 1.571 1.087 1.00 0.00 C ATOM 1374 CD GLU B 38 -23.396 1.102 2.273 1.00 0.00 C ATOM 1375 OE1 GLU B 38 -23.031 1.949 3.114 1.00 0.00 O ATOM 1376 OE2 GLU B 38 -23.120 -0.113 2.360 1.00 0.00 O ATOM 0 H GLU B 38 -22.570 3.699 -1.708 1.00 0.00 H new ATOM 0 HA GLU B 38 -25.110 2.501 -1.126 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -22.601 2.415 -0.035 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -23.380 3.540 1.060 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -25.207 1.869 1.430 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -24.355 0.741 0.395 1.00 0.00 H new ATOM 1383 N ASP B 39 -24.677 5.676 -0.595 1.00 0.00 N ATOM 1384 CA ASP B 39 -25.342 6.914 -0.205 1.00 0.00 C ATOM 1385 C ASP B 39 -26.578 7.161 -1.063 1.00 0.00 C ATOM 1386 O ASP B 39 -27.521 7.826 -0.635 1.00 0.00 O ATOM 1387 CB ASP B 39 -24.378 8.094 -0.326 1.00 0.00 C ATOM 1388 CG ASP B 39 -24.743 9.236 0.603 1.00 0.00 C ATOM 1389 OD1 ASP B 39 -25.608 10.054 0.226 1.00 0.00 O ATOM 1390 OD2 ASP B 39 -24.163 9.312 1.707 1.00 0.00 O ATOM 0 H ASP B 39 -23.784 5.808 -1.070 1.00 0.00 H new ATOM 0 HA ASP B 39 -25.657 6.817 0.834 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -23.366 7.757 -0.103 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -24.375 8.453 -1.355 1.00 0.00 H new ATOM 1395 N ASP B 40 -26.567 6.621 -2.278 1.00 0.00 N ATOM 1396 CA ASP B 40 -27.687 6.783 -3.197 1.00 0.00 C ATOM 1397 C ASP B 40 -28.540 5.520 -3.243 1.00 0.00 C ATOM 1398 O ASP B 40 -28.093 4.442 -2.851 1.00 0.00 O ATOM 1399 CB ASP B 40 -27.178 7.119 -4.599 1.00 0.00 C ATOM 1400 CG ASP B 40 -28.306 7.289 -5.598 1.00 0.00 C ATOM 1401 OD1 ASP B 40 -29.183 8.146 -5.363 1.00 0.00 O ATOM 1402 OD2 ASP B 40 -28.312 6.565 -6.616 1.00 0.00 O ATOM 0 H ASP B 40 -25.794 6.067 -2.648 1.00 0.00 H new ATOM 0 HA ASP B 40 -28.305 7.605 -2.835 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -26.590 8.036 -4.559 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -26.511 6.327 -4.940 1.00 0.00 H new ATOM 1407 N ASP B 41 -29.771 5.660 -3.723 1.00 0.00 N ATOM 1408 CA ASP B 41 -30.688 4.530 -3.821 1.00 0.00 C ATOM 1409 C ASP B 41 -31.889 4.877 -4.694 1.00 0.00 C ATOM 1410 O ASP B 41 -31.803 5.867 -5.451 1.00 0.00 O ATOM 1411 CB ASP B 41 -31.160 4.108 -2.428 1.00 0.00 C ATOM 1412 CG ASP B 41 -31.605 5.288 -1.587 1.00 0.00 C ATOM 1413 OD1 ASP B 41 -32.105 6.276 -2.166 1.00 0.00 O ATOM 1414 OD2 ASP B 41 -31.454 5.225 -0.348 1.00 0.00 O ATOM 1415 OXT ASP B 41 -32.905 4.155 -4.615 1.00 0.00 O ATOM 0 H ASP B 41 -30.157 6.545 -4.051 1.00 0.00 H new ATOM 0 HA ASP B 41 -30.154 3.700 -4.284 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -31.985 3.403 -2.525 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -30.352 3.585 -1.917 1.00 0.00 H new TER 1420 ASP B 41