USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 760 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 MET CE :methyl -149:sc= -0.237 (180deg=-1.16) USER MOD Set 1.2: A 70 GLN : amide:sc= -2.27 K(o=-2.5,f=-7.3!) USER MOD Set 2.1: A 16 THR OG1 : rot -105:sc= 0.317 USER MOD Set 2.2: A 48 SER OG : rot 100:sc= 0.259 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0212 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -149:sc= -4.09! USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.00428 USER MOD Single : A 25 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0199) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 28 GLN : amide:sc= -12.7! C(o=-13!,f=-19!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -108:sc= -0.106 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc=-0.00294 X(o=-0.0029,f=0) USER MOD Single : A 49 GLN : amide:sc=-0.00313 X(o=-0.0031,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.356 K(o=-0.36,f=-2.2!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.0704 K(o=-0.07,f=-0.65) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -2.89 K(o=-2.9,f=-2.1) USER MOD Single : A 75 ASN : amide:sc= -0.323 K(o=-0.32,f=-2.8!) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot 99:sc= -1.59 USER MOD Single : A 81 TYR OH : rot 136:sc= 1.26 USER MOD Single : A 90 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.21) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.744 USER MOD Single : A 94 GLN : amide:sc= -0.01 X(o=-0.01,f=-0.075) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.084 -17.655 -30.393 1.00 0.00 N ATOM 2 CA GLY A 1 17.029 -17.263 -29.361 1.00 0.00 C ATOM 3 C GLY A 1 16.362 -16.362 -28.320 1.00 0.00 C ATOM 4 O GLY A 1 15.891 -16.840 -27.290 1.00 0.00 O ATOM 0 H1 GLY A 1 16.561 -18.266 -31.087 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.293 -18.174 -29.961 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.720 -16.806 -30.871 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.430 -18.152 -28.874 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.871 -16.740 -29.814 1.00 0.00 H new ATOM 8 N SER A 2 16.344 -15.073 -28.626 1.00 0.00 N ATOM 9 CA SER A 2 15.742 -14.100 -27.730 1.00 0.00 C ATOM 10 C SER A 2 16.451 -14.128 -26.375 1.00 0.00 C ATOM 11 O SER A 2 17.044 -15.139 -26.002 1.00 0.00 O ATOM 12 CB SER A 2 14.246 -14.366 -27.552 1.00 0.00 C ATOM 13 OG SER A 2 13.673 -13.539 -26.543 1.00 0.00 O ATOM 0 H SER A 2 16.736 -14.680 -29.481 1.00 0.00 H new ATOM 0 HA SER A 2 15.857 -13.111 -28.173 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.732 -14.193 -28.498 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.092 -15.413 -27.293 1.00 0.00 H new ATOM 0 HG SER A 2 12.717 -13.738 -26.461 1.00 0.00 H new ATOM 19 N GLU A 3 16.366 -13.007 -25.674 1.00 0.00 N ATOM 20 CA GLU A 3 16.992 -12.891 -24.368 1.00 0.00 C ATOM 21 C GLU A 3 15.945 -13.039 -23.263 1.00 0.00 C ATOM 22 O GLU A 3 14.749 -12.902 -23.513 1.00 0.00 O ATOM 23 CB GLU A 3 17.745 -11.565 -24.237 1.00 0.00 C ATOM 24 CG GLU A 3 19.100 -11.631 -24.944 1.00 0.00 C ATOM 25 CD GLU A 3 19.879 -10.327 -24.759 1.00 0.00 C ATOM 26 OE1 GLU A 3 20.477 -10.173 -23.672 1.00 0.00 O ATOM 27 OE2 GLU A 3 19.859 -9.515 -25.709 1.00 0.00 O ATOM 0 H GLU A 3 15.873 -12.171 -25.986 1.00 0.00 H new ATOM 0 HA GLU A 3 17.719 -13.696 -24.262 1.00 0.00 H new ATOM 0 HB2 GLU A 3 17.147 -10.760 -24.664 1.00 0.00 H new ATOM 0 HB3 GLU A 3 17.892 -11.329 -23.183 1.00 0.00 H new ATOM 0 HG2 GLU A 3 19.680 -12.465 -24.549 1.00 0.00 H new ATOM 0 HG3 GLU A 3 18.951 -11.822 -26.007 1.00 0.00 H new ATOM 34 N GLY A 4 16.433 -13.317 -22.063 1.00 0.00 N ATOM 35 CA GLY A 4 15.555 -13.486 -20.918 1.00 0.00 C ATOM 36 C GLY A 4 16.217 -12.971 -19.638 1.00 0.00 C ATOM 37 O GLY A 4 17.324 -13.385 -19.298 1.00 0.00 O ATOM 0 H GLY A 4 17.426 -13.429 -21.859 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.621 -12.951 -21.089 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.302 -14.540 -20.802 1.00 0.00 H new ATOM 41 N ALA A 5 15.510 -12.077 -18.963 1.00 0.00 N ATOM 42 CA ALA A 5 16.016 -11.502 -17.728 1.00 0.00 C ATOM 43 C ALA A 5 15.288 -12.135 -16.540 1.00 0.00 C ATOM 44 O ALA A 5 14.133 -12.540 -16.660 1.00 0.00 O ATOM 45 CB ALA A 5 15.852 -9.981 -17.768 1.00 0.00 C ATOM 0 H ALA A 5 14.591 -11.737 -19.247 1.00 0.00 H new ATOM 0 HA ALA A 5 17.079 -11.713 -17.614 1.00 0.00 H new ATOM 0 HB1 ALA A 5 16.231 -9.550 -16.842 1.00 0.00 H new ATOM 0 HB2 ALA A 5 16.411 -9.577 -18.612 1.00 0.00 H new ATOM 0 HB3 ALA A 5 14.797 -9.732 -17.879 1.00 0.00 H new ATOM 51 N ALA A 6 15.995 -12.201 -15.421 1.00 0.00 N ATOM 52 CA ALA A 6 15.431 -12.778 -14.213 1.00 0.00 C ATOM 53 C ALA A 6 15.579 -11.783 -13.060 1.00 0.00 C ATOM 54 O ALA A 6 16.646 -11.682 -12.456 1.00 0.00 O ATOM 55 CB ALA A 6 16.112 -14.116 -13.920 1.00 0.00 C ATOM 0 H ALA A 6 16.953 -11.864 -15.326 1.00 0.00 H new ATOM 0 HA ALA A 6 14.367 -12.976 -14.343 1.00 0.00 H new ATOM 0 HB1 ALA A 6 15.689 -14.549 -13.014 1.00 0.00 H new ATOM 0 HB2 ALA A 6 15.952 -14.797 -14.756 1.00 0.00 H new ATOM 0 HB3 ALA A 6 17.181 -13.957 -13.781 1.00 0.00 H new ATOM 61 N THR A 7 14.494 -11.073 -12.790 1.00 0.00 N ATOM 62 CA THR A 7 14.490 -10.090 -11.720 1.00 0.00 C ATOM 63 C THR A 7 13.362 -10.385 -10.729 1.00 0.00 C ATOM 64 O THR A 7 12.289 -10.840 -11.121 1.00 0.00 O ATOM 65 CB THR A 7 14.393 -8.701 -12.355 1.00 0.00 C ATOM 66 OG1 THR A 7 13.185 -8.748 -13.110 1.00 0.00 O ATOM 67 CG2 THR A 7 15.479 -8.461 -13.405 1.00 0.00 C ATOM 0 H THR A 7 13.611 -11.159 -13.294 1.00 0.00 H new ATOM 0 HA THR A 7 15.411 -10.134 -11.139 1.00 0.00 H new ATOM 0 HB THR A 7 14.465 -7.940 -11.577 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.043 -7.886 -13.554 1.00 0.00 H new ATOM 0 HG21 THR A 7 15.365 -7.461 -13.824 1.00 0.00 H new ATOM 0 HG22 THR A 7 16.461 -8.550 -12.940 1.00 0.00 H new ATOM 0 HG23 THR A 7 15.386 -9.201 -14.200 1.00 0.00 H new ATOM 75 N MET A 8 13.644 -10.113 -9.463 1.00 0.00 N ATOM 76 CA MET A 8 12.667 -10.344 -8.412 1.00 0.00 C ATOM 77 C MET A 8 12.538 -9.118 -7.506 1.00 0.00 C ATOM 78 O MET A 8 13.521 -8.427 -7.246 1.00 0.00 O ATOM 79 CB MET A 8 13.091 -11.554 -7.577 1.00 0.00 C ATOM 80 CG MET A 8 11.873 -12.262 -6.982 1.00 0.00 C ATOM 81 SD MET A 8 11.068 -13.249 -8.232 1.00 0.00 S ATOM 82 CE MET A 8 10.133 -14.362 -7.196 1.00 0.00 C ATOM 0 H MET A 8 14.535 -9.735 -9.141 1.00 0.00 H new ATOM 0 HA MET A 8 11.699 -10.534 -8.876 1.00 0.00 H new ATOM 0 HB2 MET A 8 13.653 -12.251 -8.199 1.00 0.00 H new ATOM 0 HB3 MET A 8 13.757 -11.233 -6.776 1.00 0.00 H new ATOM 0 HG2 MET A 8 12.181 -12.895 -6.150 1.00 0.00 H new ATOM 0 HG3 MET A 8 11.175 -11.527 -6.582 1.00 0.00 H new ATOM 0 HE1 MET A 8 9.567 -15.052 -7.822 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.815 -14.925 -6.559 1.00 0.00 H new ATOM 0 HE3 MET A 8 9.445 -13.789 -6.574 1.00 0.00 H new ATOM 92 N SER A 9 11.316 -8.886 -7.049 1.00 0.00 N ATOM 93 CA SER A 9 11.044 -7.756 -6.177 1.00 0.00 C ATOM 94 C SER A 9 10.088 -8.175 -5.059 1.00 0.00 C ATOM 95 O SER A 9 9.327 -9.129 -5.214 1.00 0.00 O ATOM 96 CB SER A 9 10.459 -6.582 -6.964 1.00 0.00 C ATOM 97 OG SER A 9 11.359 -6.105 -7.961 1.00 0.00 O ATOM 0 H SER A 9 10.503 -9.462 -7.267 1.00 0.00 H new ATOM 0 HA SER A 9 11.986 -7.430 -5.736 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.526 -6.891 -7.436 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.216 -5.771 -6.278 1.00 0.00 H new ATOM 0 HG SER A 9 10.948 -5.357 -8.442 1.00 0.00 H new ATOM 103 N GLY A 10 10.158 -7.442 -3.958 1.00 0.00 N ATOM 104 CA GLY A 10 9.308 -7.726 -2.815 1.00 0.00 C ATOM 105 C GLY A 10 8.470 -6.503 -2.438 1.00 0.00 C ATOM 106 O GLY A 10 8.756 -5.830 -1.448 1.00 0.00 O ATOM 0 H GLY A 10 10.791 -6.652 -3.833 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.651 -8.565 -3.045 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.922 -8.026 -1.966 1.00 0.00 H new ATOM 110 N LEU A 11 7.450 -6.252 -3.246 1.00 0.00 N ATOM 111 CA LEU A 11 6.568 -5.121 -3.010 1.00 0.00 C ATOM 112 C LEU A 11 5.653 -5.433 -1.824 1.00 0.00 C ATOM 113 O LEU A 11 5.166 -6.555 -1.689 1.00 0.00 O ATOM 114 CB LEU A 11 5.814 -4.754 -4.289 1.00 0.00 C ATOM 115 CG LEU A 11 5.878 -3.284 -4.707 1.00 0.00 C ATOM 116 CD1 LEU A 11 5.053 -2.409 -3.761 1.00 0.00 C ATOM 117 CD2 LEU A 11 7.327 -2.806 -4.811 1.00 0.00 C ATOM 0 H LEU A 11 7.215 -6.813 -4.065 1.00 0.00 H new ATOM 0 HA LEU A 11 7.146 -4.236 -2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.206 -5.361 -5.105 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.767 -5.030 -4.162 1.00 0.00 H new ATOM 0 HG LEU A 11 5.436 -3.192 -5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.115 -1.369 -4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.012 -2.733 -3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.443 -2.501 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.344 -1.758 -5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.817 -2.915 -3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.855 -3.404 -5.554 1.00 0.00 H new ATOM 129 N ARG A 12 5.448 -4.421 -0.994 1.00 0.00 N ATOM 130 CA ARG A 12 4.600 -4.573 0.176 1.00 0.00 C ATOM 131 C ARG A 12 3.712 -3.339 0.352 1.00 0.00 C ATOM 132 O ARG A 12 4.200 -2.211 0.328 1.00 0.00 O ATOM 133 CB ARG A 12 5.437 -4.776 1.441 1.00 0.00 C ATOM 134 CG ARG A 12 6.427 -5.928 1.264 1.00 0.00 C ATOM 135 CD ARG A 12 6.423 -6.847 2.487 1.00 0.00 C ATOM 136 NE ARG A 12 7.794 -6.972 3.031 1.00 0.00 N ATOM 137 CZ ARG A 12 8.131 -7.791 4.037 1.00 0.00 C ATOM 138 NH1 ARG A 12 7.200 -8.562 4.614 1.00 0.00 N ATOM 139 NH2 ARG A 12 9.400 -7.838 4.465 1.00 0.00 N ATOM 0 H ARG A 12 5.855 -3.493 -1.108 1.00 0.00 H new ATOM 0 HA ARG A 12 3.977 -5.454 0.022 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.978 -3.859 1.674 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.781 -4.982 2.286 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.168 -6.501 0.373 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.429 -5.530 1.107 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.755 -6.447 3.250 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.041 -7.830 2.212 1.00 0.00 H new ATOM 0 HE ARG A 12 8.528 -6.399 2.614 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.234 -8.526 4.288 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.457 -9.185 5.380 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.109 -7.251 4.025 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.657 -8.461 5.231 1.00 0.00 H new ATOM 153 N VAL A 13 2.424 -3.596 0.527 1.00 0.00 N ATOM 154 CA VAL A 13 1.464 -2.521 0.707 1.00 0.00 C ATOM 155 C VAL A 13 1.044 -2.460 2.177 1.00 0.00 C ATOM 156 O VAL A 13 0.195 -3.234 2.616 1.00 0.00 O ATOM 157 CB VAL A 13 0.282 -2.709 -0.246 1.00 0.00 C ATOM 158 CG1 VAL A 13 -0.726 -1.567 -0.102 1.00 0.00 C ATOM 159 CG2 VAL A 13 0.760 -2.840 -1.693 1.00 0.00 C ATOM 0 H VAL A 13 2.023 -4.534 0.548 1.00 0.00 H new ATOM 0 HA VAL A 13 1.915 -1.560 0.457 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.223 -3.636 0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.556 -1.725 -0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.103 -1.541 0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.238 -0.620 -0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.100 -2.973 -2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.301 -1.938 -1.981 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.420 -3.703 -1.781 1.00 0.00 H new ATOM 169 N TYR A 14 1.657 -1.531 2.896 1.00 0.00 N ATOM 170 CA TYR A 14 1.356 -1.359 4.308 1.00 0.00 C ATOM 171 C TYR A 14 -0.004 -0.685 4.500 1.00 0.00 C ATOM 172 O TYR A 14 -0.103 0.540 4.467 1.00 0.00 O ATOM 173 CB TYR A 14 2.449 -0.443 4.862 1.00 0.00 C ATOM 174 CG TYR A 14 3.754 -1.166 5.201 1.00 0.00 C ATOM 175 CD1 TYR A 14 4.529 -1.700 4.192 1.00 0.00 C ATOM 176 CD2 TYR A 14 4.156 -1.285 6.516 1.00 0.00 C ATOM 177 CE1 TYR A 14 5.758 -2.381 4.511 1.00 0.00 C ATOM 178 CE2 TYR A 14 5.385 -1.965 6.835 1.00 0.00 C ATOM 179 CZ TYR A 14 6.125 -2.480 5.816 1.00 0.00 C ATOM 180 OH TYR A 14 7.285 -3.123 6.117 1.00 0.00 O ATOM 0 H TYR A 14 2.360 -0.890 2.528 1.00 0.00 H new ATOM 0 HA TYR A 14 1.322 -2.324 4.814 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.658 0.339 4.132 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.075 0.050 5.759 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.214 -1.608 3.163 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.549 -0.868 7.306 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.374 -2.803 3.731 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.712 -2.064 7.860 1.00 0.00 H new ATOM 0 HH TYR A 14 7.421 -3.116 7.088 1.00 0.00 H new ATOM 190 N SER A 15 -1.017 -1.515 4.698 1.00 0.00 N ATOM 191 CA SER A 15 -2.367 -1.015 4.896 1.00 0.00 C ATOM 192 C SER A 15 -2.892 -1.455 6.264 1.00 0.00 C ATOM 193 O SER A 15 -2.401 -2.424 6.840 1.00 0.00 O ATOM 194 CB SER A 15 -3.303 -1.501 3.787 1.00 0.00 C ATOM 195 OG SER A 15 -2.729 -1.335 2.493 1.00 0.00 O ATOM 0 H SER A 15 -0.930 -2.531 4.726 1.00 0.00 H new ATOM 0 HA SER A 15 -2.337 0.074 4.858 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.539 -2.553 3.947 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.243 -0.952 3.840 1.00 0.00 H new ATOM 0 HG SER A 15 -3.440 -1.172 1.838 1.00 0.00 H new ATOM 201 N THR A 16 -3.884 -0.720 6.745 1.00 0.00 N ATOM 202 CA THR A 16 -4.481 -1.022 8.035 1.00 0.00 C ATOM 203 C THR A 16 -5.865 -1.647 7.849 1.00 0.00 C ATOM 204 O THR A 16 -6.693 -1.123 7.105 1.00 0.00 O ATOM 205 CB THR A 16 -4.504 0.267 8.859 1.00 0.00 C ATOM 206 OG1 THR A 16 -4.932 -0.154 10.151 1.00 0.00 O ATOM 207 CG2 THR A 16 -5.596 1.236 8.402 1.00 0.00 C ATOM 0 H THR A 16 -4.289 0.084 6.265 1.00 0.00 H new ATOM 0 HA THR A 16 -3.894 -1.763 8.578 1.00 0.00 H new ATOM 0 HB THR A 16 -3.533 0.757 8.791 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.865 0.111 10.289 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.568 2.133 9.020 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.429 1.508 7.360 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.571 0.758 8.500 1.00 0.00 H new ATOM 215 N SER A 17 -6.073 -2.761 8.537 1.00 0.00 N ATOM 216 CA SER A 17 -7.342 -3.464 8.456 1.00 0.00 C ATOM 217 C SER A 17 -8.473 -2.561 8.955 1.00 0.00 C ATOM 218 O SER A 17 -9.452 -2.338 8.245 1.00 0.00 O ATOM 219 CB SER A 17 -7.304 -4.763 9.264 1.00 0.00 C ATOM 220 OG SER A 17 -7.959 -5.832 8.586 1.00 0.00 O ATOM 0 H SER A 17 -5.384 -3.193 9.153 1.00 0.00 H new ATOM 0 HA SER A 17 -7.525 -3.722 7.413 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.268 -5.038 9.459 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.779 -4.602 10.232 1.00 0.00 H new ATOM 0 HG SER A 17 -7.912 -6.644 9.133 1.00 0.00 H new ATOM 226 N VAL A 18 -8.300 -2.068 10.172 1.00 0.00 N ATOM 227 CA VAL A 18 -9.293 -1.195 10.774 1.00 0.00 C ATOM 228 C VAL A 18 -8.856 0.261 10.604 1.00 0.00 C ATOM 229 O VAL A 18 -7.667 0.568 10.671 1.00 0.00 O ATOM 230 CB VAL A 18 -9.515 -1.586 12.237 1.00 0.00 C ATOM 231 CG1 VAL A 18 -10.604 -0.721 12.876 1.00 0.00 C ATOM 232 CG2 VAL A 18 -9.852 -3.073 12.362 1.00 0.00 C ATOM 0 H VAL A 18 -7.487 -2.257 10.758 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.254 -1.306 10.272 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.585 -1.407 12.777 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.742 -1.019 13.915 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.307 0.327 12.836 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.540 -0.854 12.333 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.005 -3.324 13.412 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.761 -3.288 11.801 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.030 -3.667 11.963 1.00 0.00 H new ATOM 242 N THR A 19 -9.842 1.120 10.388 1.00 0.00 N ATOM 243 CA THR A 19 -9.574 2.537 10.208 1.00 0.00 C ATOM 244 C THR A 19 -10.883 3.306 10.016 1.00 0.00 C ATOM 245 O THR A 19 -11.524 3.196 8.972 1.00 0.00 O ATOM 246 CB THR A 19 -8.602 2.689 9.037 1.00 0.00 C ATOM 247 OG1 THR A 19 -8.724 4.058 8.660 1.00 0.00 O ATOM 248 CG2 THR A 19 -9.056 1.919 7.795 1.00 0.00 C ATOM 0 H THR A 19 -10.827 0.862 10.334 1.00 0.00 H new ATOM 0 HA THR A 19 -9.107 2.968 11.094 1.00 0.00 H new ATOM 0 HB THR A 19 -7.614 2.341 9.338 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.126 4.244 7.906 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.331 2.061 6.994 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.132 0.858 8.032 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.029 2.289 7.473 1.00 0.00 H new ATOM 256 N GLY A 20 -11.239 4.069 11.039 1.00 0.00 N ATOM 257 CA GLY A 20 -12.460 4.856 10.996 1.00 0.00 C ATOM 258 C GLY A 20 -12.473 5.780 9.776 1.00 0.00 C ATOM 259 O GLY A 20 -13.485 5.886 9.085 1.00 0.00 O ATOM 0 H GLY A 20 -10.704 4.159 11.902 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.324 4.192 10.963 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.547 5.449 11.907 1.00 0.00 H new ATOM 263 N SER A 21 -11.338 6.425 9.549 1.00 0.00 N ATOM 264 CA SER A 21 -11.207 7.336 8.425 1.00 0.00 C ATOM 265 C SER A 21 -11.420 6.580 7.112 1.00 0.00 C ATOM 266 O SER A 21 -10.951 5.454 6.956 1.00 0.00 O ATOM 267 CB SER A 21 -9.838 8.019 8.427 1.00 0.00 C ATOM 268 OG SER A 21 -9.432 8.397 9.740 1.00 0.00 O ATOM 0 H SER A 21 -10.501 6.335 10.125 1.00 0.00 H new ATOM 0 HA SER A 21 -11.969 8.109 8.520 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.096 7.345 7.998 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.873 8.903 7.790 1.00 0.00 H new ATOM 0 HG SER A 21 -8.553 8.828 9.699 1.00 0.00 H new ATOM 274 N ARG A 22 -12.129 7.231 6.201 1.00 0.00 N ATOM 275 CA ARG A 22 -12.410 6.635 4.906 1.00 0.00 C ATOM 276 C ARG A 22 -11.361 7.071 3.881 1.00 0.00 C ATOM 277 O ARG A 22 -10.925 6.271 3.054 1.00 0.00 O ATOM 278 CB ARG A 22 -13.800 7.035 4.405 1.00 0.00 C ATOM 279 CG ARG A 22 -14.359 5.986 3.443 1.00 0.00 C ATOM 280 CD ARG A 22 -14.843 6.636 2.145 1.00 0.00 C ATOM 281 NE ARG A 22 -16.056 7.444 2.405 1.00 0.00 N ATOM 282 CZ ARG A 22 -16.648 8.225 1.492 1.00 0.00 C ATOM 283 NH1 ARG A 22 -16.143 8.310 0.253 1.00 0.00 N ATOM 284 NH2 ARG A 22 -17.745 8.923 1.817 1.00 0.00 N ATOM 0 H ARG A 22 -12.517 8.165 6.334 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.377 5.552 5.026 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.476 7.153 5.252 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.745 8.001 3.903 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.590 5.246 3.219 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -15.184 5.455 3.918 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.057 7.267 1.730 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.060 5.868 1.403 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.467 7.403 3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.308 7.780 0.005 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.594 8.905 -0.442 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.129 8.860 2.760 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.196 9.518 1.122 1.00 0.00 H new ATOM 298 N GLU A 23 -10.986 8.339 3.969 1.00 0.00 N ATOM 299 CA GLU A 23 -9.996 8.891 3.060 1.00 0.00 C ATOM 300 C GLU A 23 -8.772 7.976 2.988 1.00 0.00 C ATOM 301 O GLU A 23 -8.075 7.944 1.975 1.00 0.00 O ATOM 302 CB GLU A 23 -9.597 10.308 3.478 1.00 0.00 C ATOM 303 CG GLU A 23 -10.432 11.354 2.737 1.00 0.00 C ATOM 304 CD GLU A 23 -11.106 12.314 3.719 1.00 0.00 C ATOM 305 OE1 GLU A 23 -10.425 13.278 4.128 1.00 0.00 O ATOM 306 OE2 GLU A 23 -12.288 12.062 4.037 1.00 0.00 O ATOM 0 H GLU A 23 -11.350 9.000 4.656 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.439 8.952 2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.732 10.425 4.553 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.539 10.468 3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.795 11.915 2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.190 10.857 2.131 1.00 0.00 H new ATOM 313 N ILE A 24 -8.549 7.253 4.076 1.00 0.00 N ATOM 314 CA ILE A 24 -7.421 6.339 4.148 1.00 0.00 C ATOM 315 C ILE A 24 -7.732 5.086 3.327 1.00 0.00 C ATOM 316 O ILE A 24 -6.996 4.748 2.402 1.00 0.00 O ATOM 317 CB ILE A 24 -7.063 6.046 5.607 1.00 0.00 C ATOM 318 CG1 ILE A 24 -6.794 7.340 6.376 1.00 0.00 C ATOM 319 CG2 ILE A 24 -5.887 5.070 5.697 1.00 0.00 C ATOM 320 CD1 ILE A 24 -6.278 7.043 7.786 1.00 0.00 C ATOM 0 H ILE A 24 -9.130 7.281 4.914 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.532 6.794 3.710 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.919 5.564 6.079 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.063 7.942 5.837 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.710 7.928 6.436 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.653 4.878 6.744 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.153 4.133 5.207 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.017 5.503 5.204 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.095 7.980 8.311 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.022 6.461 8.331 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.350 6.476 7.722 1.00 0.00 H new ATOM 332 N LYS A 25 -8.824 4.432 3.695 1.00 0.00 N ATOM 333 CA LYS A 25 -9.241 3.224 3.004 1.00 0.00 C ATOM 334 C LYS A 25 -9.158 3.451 1.494 1.00 0.00 C ATOM 335 O LYS A 25 -8.447 2.732 0.793 1.00 0.00 O ATOM 336 CB LYS A 25 -10.625 2.783 3.485 1.00 0.00 C ATOM 337 CG LYS A 25 -10.552 2.183 4.890 1.00 0.00 C ATOM 338 CD LYS A 25 -11.859 1.473 5.252 1.00 0.00 C ATOM 339 CE LYS A 25 -12.802 2.412 6.007 1.00 0.00 C ATOM 340 NZ LYS A 25 -13.858 2.921 5.104 1.00 0.00 N ATOM 0 H LYS A 25 -9.433 4.716 4.463 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.569 2.399 3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.303 3.637 3.485 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.037 2.049 2.793 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.723 1.477 4.945 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.349 2.971 5.616 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.346 1.115 4.345 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.644 0.598 5.865 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.256 1.884 6.846 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.238 3.247 6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.438 3.621 5.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.419 3.368 4.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.460 2.132 4.794 1.00 0.00 H new ATOM 354 N SER A 26 -9.894 4.453 1.037 1.00 0.00 N ATOM 355 CA SER A 26 -9.913 4.784 -0.378 1.00 0.00 C ATOM 356 C SER A 26 -8.500 4.682 -0.958 1.00 0.00 C ATOM 357 O SER A 26 -8.270 3.943 -1.914 1.00 0.00 O ATOM 358 CB SER A 26 -10.481 6.185 -0.609 1.00 0.00 C ATOM 359 OG SER A 26 -11.716 6.151 -1.318 1.00 0.00 O ATOM 0 H SER A 26 -10.482 5.047 1.622 1.00 0.00 H new ATOM 0 HA SER A 26 -10.561 4.071 -0.887 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.628 6.679 0.351 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.759 6.781 -1.167 1.00 0.00 H new ATOM 0 HG SER A 26 -12.046 7.065 -1.444 1.00 0.00 H new ATOM 365 N GLN A 27 -7.591 5.433 -0.354 1.00 0.00 N ATOM 366 CA GLN A 27 -6.208 5.436 -0.798 1.00 0.00 C ATOM 367 C GLN A 27 -5.676 4.005 -0.890 1.00 0.00 C ATOM 368 O GLN A 27 -4.987 3.654 -1.846 1.00 0.00 O ATOM 369 CB GLN A 27 -5.337 6.287 0.128 1.00 0.00 C ATOM 370 CG GLN A 27 -5.603 7.778 -0.085 1.00 0.00 C ATOM 371 CD GLN A 27 -5.015 8.609 1.057 1.00 0.00 C ATOM 372 OE1 GLN A 27 -4.006 8.267 1.653 1.00 0.00 O ATOM 373 NE2 GLN A 27 -5.699 9.717 1.329 1.00 0.00 N ATOM 0 H GLN A 27 -7.786 6.044 0.439 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.167 5.882 -1.792 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.538 6.023 1.166 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.285 6.072 -0.058 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.168 8.097 -1.032 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.677 7.954 -0.152 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.536 9.945 0.792 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.387 10.339 2.075 1.00 0.00 H new ATOM 382 N GLN A 28 -6.017 3.216 0.119 1.00 0.00 N ATOM 383 CA GLN A 28 -5.583 1.830 0.164 1.00 0.00 C ATOM 384 C GLN A 28 -6.248 1.028 -0.956 1.00 0.00 C ATOM 385 O GLN A 28 -5.618 0.164 -1.564 1.00 0.00 O ATOM 386 CB GLN A 28 -5.875 1.208 1.531 1.00 0.00 C ATOM 387 CG GLN A 28 -5.348 2.095 2.661 1.00 0.00 C ATOM 388 CD GLN A 28 -6.231 1.982 3.905 1.00 0.00 C ATOM 389 OE1 GLN A 28 -6.731 2.961 4.434 1.00 0.00 O ATOM 390 NE2 GLN A 28 -6.395 0.736 4.341 1.00 0.00 N ATOM 0 H GLN A 28 -6.588 3.510 0.911 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.504 1.803 0.012 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.949 1.065 1.647 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.413 0.222 1.592 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.327 1.806 2.908 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.314 3.132 2.328 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.948 -0.039 3.851 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.968 0.555 5.165 1.00 0.00 H new ATOM 399 N SER A 29 -7.513 1.342 -1.195 1.00 0.00 N ATOM 400 CA SER A 29 -8.270 0.662 -2.232 1.00 0.00 C ATOM 401 C SER A 29 -7.760 1.079 -3.612 1.00 0.00 C ATOM 402 O SER A 29 -7.625 0.245 -4.506 1.00 0.00 O ATOM 403 CB SER A 29 -9.766 0.960 -2.106 1.00 0.00 C ATOM 404 OG SER A 29 -10.509 -0.193 -1.719 1.00 0.00 O ATOM 0 H SER A 29 -8.033 2.058 -0.688 1.00 0.00 H new ATOM 0 HA SER A 29 -8.129 -0.412 -2.110 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.917 1.752 -1.373 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.143 1.332 -3.059 1.00 0.00 H new ATOM 0 HG SER A 29 -11.459 0.038 -1.648 1.00 0.00 H new ATOM 410 N GLU A 30 -7.489 2.370 -3.743 1.00 0.00 N ATOM 411 CA GLU A 30 -6.997 2.908 -4.999 1.00 0.00 C ATOM 412 C GLU A 30 -5.637 2.295 -5.343 1.00 0.00 C ATOM 413 O GLU A 30 -5.501 1.604 -6.351 1.00 0.00 O ATOM 414 CB GLU A 30 -6.912 4.435 -4.946 1.00 0.00 C ATOM 415 CG GLU A 30 -8.042 5.075 -5.754 1.00 0.00 C ATOM 416 CD GLU A 30 -7.485 5.937 -6.889 1.00 0.00 C ATOM 417 OE1 GLU A 30 -6.662 6.824 -6.576 1.00 0.00 O ATOM 418 OE2 GLU A 30 -7.896 5.689 -8.043 1.00 0.00 O ATOM 0 H GLU A 30 -7.601 3.059 -2.999 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.703 2.643 -5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.966 4.770 -3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.949 4.763 -5.338 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.685 4.297 -6.165 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.661 5.687 -5.098 1.00 0.00 H new ATOM 425 N VAL A 31 -4.666 2.570 -4.485 1.00 0.00 N ATOM 426 CA VAL A 31 -3.323 2.054 -4.684 1.00 0.00 C ATOM 427 C VAL A 31 -3.404 0.608 -5.177 1.00 0.00 C ATOM 428 O VAL A 31 -2.892 0.283 -6.247 1.00 0.00 O ATOM 429 CB VAL A 31 -2.508 2.202 -3.397 1.00 0.00 C ATOM 430 CG1 VAL A 31 -1.178 1.454 -3.502 1.00 0.00 C ATOM 431 CG2 VAL A 31 -2.284 3.677 -3.057 1.00 0.00 C ATOM 0 H VAL A 31 -4.783 3.144 -3.650 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.803 2.630 -5.450 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.080 1.755 -2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.618 1.575 -2.575 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.369 0.395 -3.675 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.598 1.858 -4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.702 3.754 -2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.743 4.160 -3.871 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.247 4.169 -2.919 1.00 0.00 H new ATOM 441 N THR A 32 -4.053 -0.222 -4.373 1.00 0.00 N ATOM 442 CA THR A 32 -4.208 -1.626 -4.714 1.00 0.00 C ATOM 443 C THR A 32 -4.830 -1.771 -6.105 1.00 0.00 C ATOM 444 O THR A 32 -4.366 -2.572 -6.915 1.00 0.00 O ATOM 445 CB THR A 32 -5.029 -2.293 -3.609 1.00 0.00 C ATOM 446 OG1 THR A 32 -6.210 -1.500 -3.526 1.00 0.00 O ATOM 447 CG2 THR A 32 -4.384 -2.144 -2.229 1.00 0.00 C ATOM 0 H THR A 32 -4.477 0.051 -3.487 1.00 0.00 H new ATOM 0 HA THR A 32 -3.242 -2.129 -4.770 1.00 0.00 H new ATOM 0 HB THR A 32 -5.155 -3.351 -3.840 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.196 -0.979 -2.696 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.007 -2.635 -1.481 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.396 -2.605 -2.237 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.289 -1.086 -1.984 1.00 0.00 H new ATOM 455 N ARG A 33 -5.871 -0.985 -6.338 1.00 0.00 N ATOM 456 CA ARG A 33 -6.561 -1.016 -7.616 1.00 0.00 C ATOM 457 C ARG A 33 -5.558 -0.881 -8.764 1.00 0.00 C ATOM 458 O ARG A 33 -5.520 -1.721 -9.661 1.00 0.00 O ATOM 459 CB ARG A 33 -7.591 0.110 -7.713 1.00 0.00 C ATOM 460 CG ARG A 33 -8.812 -0.331 -8.523 1.00 0.00 C ATOM 461 CD ARG A 33 -9.768 0.840 -8.757 1.00 0.00 C ATOM 462 NE ARG A 33 -10.990 0.366 -9.444 1.00 0.00 N ATOM 463 CZ ARG A 33 -11.056 0.085 -10.752 1.00 0.00 C ATOM 464 NH1 ARG A 33 -9.970 0.228 -11.524 1.00 0.00 N ATOM 465 NH2 ARG A 33 -12.208 -0.339 -11.289 1.00 0.00 N ATOM 0 H ARG A 33 -6.253 -0.323 -5.663 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.078 -1.973 -7.691 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.903 0.409 -6.712 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.137 0.984 -8.180 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.489 -0.738 -9.481 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.333 -1.130 -7.996 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.032 1.301 -7.805 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.277 1.606 -9.357 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.835 0.246 -8.886 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.093 0.551 -11.116 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.021 0.014 -12.520 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.035 -0.448 -10.702 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.258 -0.553 -12.285 1.00 0.00 H new ATOM 479 N ILE A 34 -4.771 0.183 -8.697 1.00 0.00 N ATOM 480 CA ILE A 34 -3.771 0.439 -9.720 1.00 0.00 C ATOM 481 C ILE A 34 -2.806 -0.746 -9.791 1.00 0.00 C ATOM 482 O ILE A 34 -2.560 -1.288 -10.868 1.00 0.00 O ATOM 483 CB ILE A 34 -3.080 1.780 -9.470 1.00 0.00 C ATOM 484 CG1 ILE A 34 -4.103 2.913 -9.363 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.024 2.061 -10.541 1.00 0.00 C ATOM 486 CD1 ILE A 34 -4.010 3.610 -8.004 1.00 0.00 C ATOM 0 H ILE A 34 -4.806 0.877 -7.951 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.242 0.527 -10.699 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.561 1.723 -8.513 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.933 3.637 -10.160 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.108 2.515 -9.503 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.548 3.021 -10.340 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.272 1.272 -10.526 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.499 2.090 -11.522 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.748 4.411 -7.955 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.204 2.888 -7.211 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.011 4.028 -7.877 1.00 0.00 H new ATOM 498 N LEU A 35 -2.284 -1.115 -8.630 1.00 0.00 N ATOM 499 CA LEU A 35 -1.352 -2.225 -8.547 1.00 0.00 C ATOM 500 C LEU A 35 -1.975 -3.460 -9.202 1.00 0.00 C ATOM 501 O LEU A 35 -1.308 -4.176 -9.946 1.00 0.00 O ATOM 502 CB LEU A 35 -0.915 -2.452 -7.098 1.00 0.00 C ATOM 503 CG LEU A 35 0.000 -1.383 -6.498 1.00 0.00 C ATOM 504 CD1 LEU A 35 0.313 -1.689 -5.032 1.00 0.00 C ATOM 505 CD2 LEU A 35 1.272 -1.219 -7.334 1.00 0.00 C ATOM 0 H LEU A 35 -2.490 -0.664 -7.739 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.440 -1.997 -9.099 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.808 -2.527 -6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.404 -3.413 -7.040 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.527 -0.429 -6.522 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.965 -0.914 -4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.614 -1.716 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.812 -2.656 -4.961 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.905 -0.453 -6.886 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.812 -2.165 -7.364 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.005 -0.922 -8.348 1.00 0.00 H new ATOM 517 N ASP A 36 -3.248 -3.671 -8.900 1.00 0.00 N ATOM 518 CA ASP A 36 -3.969 -4.806 -9.449 1.00 0.00 C ATOM 519 C ASP A 36 -4.004 -4.693 -10.975 1.00 0.00 C ATOM 520 O ASP A 36 -3.608 -5.621 -11.679 1.00 0.00 O ATOM 521 CB ASP A 36 -5.413 -4.837 -8.945 1.00 0.00 C ATOM 522 CG ASP A 36 -6.370 -5.697 -9.775 1.00 0.00 C ATOM 523 OD1 ASP A 36 -5.946 -6.808 -10.159 1.00 0.00 O ATOM 524 OD2 ASP A 36 -7.503 -5.223 -10.006 1.00 0.00 O ATOM 0 H ASP A 36 -3.798 -3.075 -8.282 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.457 -5.715 -9.134 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.416 -5.204 -7.919 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.795 -3.816 -8.919 1.00 0.00 H new ATOM 529 N GLY A 37 -4.480 -3.547 -11.441 1.00 0.00 N ATOM 530 CA GLY A 37 -4.572 -3.301 -12.870 1.00 0.00 C ATOM 531 C GLY A 37 -3.191 -3.362 -13.526 1.00 0.00 C ATOM 532 O GLY A 37 -3.043 -3.905 -14.620 1.00 0.00 O ATOM 0 H GLY A 37 -4.806 -2.779 -10.854 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.229 -4.040 -13.328 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.020 -2.323 -13.046 1.00 0.00 H new ATOM 536 N LYS A 38 -2.214 -2.799 -12.830 1.00 0.00 N ATOM 537 CA LYS A 38 -0.851 -2.783 -13.331 1.00 0.00 C ATOM 538 C LYS A 38 -0.255 -4.188 -13.222 1.00 0.00 C ATOM 539 O LYS A 38 0.825 -4.451 -13.749 1.00 0.00 O ATOM 540 CB LYS A 38 -0.029 -1.709 -12.614 1.00 0.00 C ATOM 541 CG LYS A 38 -0.605 -0.315 -12.871 1.00 0.00 C ATOM 542 CD LYS A 38 0.444 0.605 -13.498 1.00 0.00 C ATOM 543 CE LYS A 38 -0.186 1.920 -13.961 1.00 0.00 C ATOM 544 NZ LYS A 38 -0.170 2.010 -15.439 1.00 0.00 N ATOM 0 H LYS A 38 -2.340 -2.350 -11.923 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.837 -2.511 -14.387 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.017 -1.910 -11.543 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.005 -1.748 -12.957 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.469 -0.391 -13.532 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.957 0.115 -11.934 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.232 0.811 -12.774 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.912 0.104 -14.345 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.212 1.987 -13.598 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.359 2.762 -13.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.601 2.908 -15.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.812 1.968 -15.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.710 1.217 -15.841 1.00 0.00 H new ATOM 558 N ARG A 39 -0.986 -5.054 -12.535 1.00 0.00 N ATOM 559 CA ARG A 39 -0.543 -6.425 -12.351 1.00 0.00 C ATOM 560 C ARG A 39 0.850 -6.453 -11.718 1.00 0.00 C ATOM 561 O ARG A 39 1.705 -7.238 -12.125 1.00 0.00 O ATOM 562 CB ARG A 39 -0.505 -7.176 -13.683 1.00 0.00 C ATOM 563 CG ARG A 39 -1.893 -7.222 -14.326 1.00 0.00 C ATOM 564 CD ARG A 39 -2.394 -8.662 -14.447 1.00 0.00 C ATOM 565 NE ARG A 39 -2.378 -9.087 -15.864 1.00 0.00 N ATOM 566 CZ ARG A 39 -2.708 -10.316 -16.284 1.00 0.00 C ATOM 567 NH1 ARG A 39 -3.081 -11.249 -15.398 1.00 0.00 N ATOM 568 NH2 ARG A 39 -2.664 -10.612 -17.590 1.00 0.00 N ATOM 0 H ARG A 39 -1.881 -4.833 -12.100 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.256 -6.917 -11.690 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.197 -6.689 -14.359 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.141 -8.191 -13.522 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.594 -6.638 -13.729 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.856 -6.762 -15.314 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.765 -9.325 -13.853 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.405 -8.739 -14.047 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.098 -8.401 -16.565 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.114 -11.024 -14.404 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.332 -12.184 -15.718 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.379 -9.902 -18.265 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.915 -11.547 -17.910 1.00 0.00 H new ATOM 582 N ILE A 40 1.034 -5.587 -10.732 1.00 0.00 N ATOM 583 CA ILE A 40 2.308 -5.503 -10.039 1.00 0.00 C ATOM 584 C ILE A 40 2.341 -6.538 -8.912 1.00 0.00 C ATOM 585 O ILE A 40 1.351 -6.723 -8.206 1.00 0.00 O ATOM 586 CB ILE A 40 2.567 -4.071 -9.566 1.00 0.00 C ATOM 587 CG1 ILE A 40 2.763 -3.128 -10.755 1.00 0.00 C ATOM 588 CG2 ILE A 40 3.747 -4.020 -8.593 1.00 0.00 C ATOM 589 CD1 ILE A 40 2.820 -1.670 -10.295 1.00 0.00 C ATOM 0 H ILE A 40 0.322 -4.938 -10.397 1.00 0.00 H new ATOM 0 HA ILE A 40 3.127 -5.744 -10.717 1.00 0.00 H new ATOM 0 HB ILE A 40 1.687 -3.726 -9.023 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.684 -3.384 -11.279 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.946 -3.257 -11.465 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.910 -2.991 -8.272 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.529 -4.641 -7.724 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.644 -4.392 -9.089 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.960 -1.021 -11.159 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.888 -1.410 -9.793 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.653 -1.539 -9.604 1.00 0.00 H new ATOM 601 N GLN A 41 3.489 -7.185 -8.780 1.00 0.00 N ATOM 602 CA GLN A 41 3.664 -8.197 -7.751 1.00 0.00 C ATOM 603 C GLN A 41 3.965 -7.537 -6.404 1.00 0.00 C ATOM 604 O GLN A 41 5.050 -6.992 -6.205 1.00 0.00 O ATOM 605 CB GLN A 41 4.765 -9.186 -8.137 1.00 0.00 C ATOM 606 CG GLN A 41 4.183 -10.572 -8.420 1.00 0.00 C ATOM 607 CD GLN A 41 4.535 -11.555 -7.301 1.00 0.00 C ATOM 608 OE1 GLN A 41 5.415 -12.391 -7.428 1.00 0.00 O ATOM 609 NE2 GLN A 41 3.802 -11.407 -6.202 1.00 0.00 N ATOM 0 H GLN A 41 4.308 -7.029 -9.368 1.00 0.00 H new ATOM 0 HA GLN A 41 2.734 -8.758 -7.658 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.293 -8.822 -9.019 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.497 -9.253 -7.332 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.100 -10.502 -8.520 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.567 -10.944 -9.370 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.081 -10.686 -6.163 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.960 -12.014 -5.398 1.00 0.00 H new ATOM 618 N TYR A 42 2.987 -7.609 -5.514 1.00 0.00 N ATOM 619 CA TYR A 42 3.134 -7.026 -4.191 1.00 0.00 C ATOM 620 C TYR A 42 2.429 -7.879 -3.134 1.00 0.00 C ATOM 621 O TYR A 42 1.828 -8.902 -3.457 1.00 0.00 O ATOM 622 CB TYR A 42 2.458 -5.655 -4.257 1.00 0.00 C ATOM 623 CG TYR A 42 0.931 -5.718 -4.338 1.00 0.00 C ATOM 624 CD1 TYR A 42 0.189 -5.942 -3.196 1.00 0.00 C ATOM 625 CD2 TYR A 42 0.297 -5.549 -5.552 1.00 0.00 C ATOM 626 CE1 TYR A 42 -1.248 -6.001 -3.272 1.00 0.00 C ATOM 627 CE2 TYR A 42 -1.140 -5.608 -5.627 1.00 0.00 C ATOM 628 CZ TYR A 42 -1.841 -5.831 -4.484 1.00 0.00 C ATOM 629 OH TYR A 42 -3.198 -5.886 -4.555 1.00 0.00 O ATOM 0 H TYR A 42 2.089 -8.062 -5.683 1.00 0.00 H new ATOM 0 HA TYR A 42 4.187 -6.960 -3.915 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.742 -5.079 -3.376 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.836 -5.116 -5.126 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.686 -6.073 -2.246 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.878 -5.373 -6.445 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.841 -6.176 -2.387 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.649 -5.478 -6.570 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.483 -5.746 -5.482 1.00 0.00 H new ATOM 639 N GLN A 43 2.527 -7.426 -1.893 1.00 0.00 N ATOM 640 CA GLN A 43 1.906 -8.134 -0.787 1.00 0.00 C ATOM 641 C GLN A 43 1.386 -7.141 0.255 1.00 0.00 C ATOM 642 O GLN A 43 2.139 -6.302 0.747 1.00 0.00 O ATOM 643 CB GLN A 43 2.882 -9.130 -0.156 1.00 0.00 C ATOM 644 CG GLN A 43 2.139 -10.340 0.413 1.00 0.00 C ATOM 645 CD GLN A 43 3.101 -11.502 0.670 1.00 0.00 C ATOM 646 OE1 GLN A 43 3.584 -12.154 -0.240 1.00 0.00 O ATOM 647 NE2 GLN A 43 3.350 -11.723 1.958 1.00 0.00 N ATOM 0 H GLN A 43 3.027 -6.577 -1.629 1.00 0.00 H new ATOM 0 HA GLN A 43 1.059 -8.701 -1.174 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.604 -9.460 -0.903 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.446 -8.639 0.637 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.642 -10.062 1.342 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.361 -10.654 -0.283 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.912 -11.139 2.670 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.979 -12.477 2.234 1.00 0.00 H new ATOM 656 N LEU A 44 0.103 -7.269 0.559 1.00 0.00 N ATOM 657 CA LEU A 44 -0.526 -6.394 1.533 1.00 0.00 C ATOM 658 C LEU A 44 -0.028 -6.755 2.934 1.00 0.00 C ATOM 659 O LEU A 44 0.235 -7.921 3.222 1.00 0.00 O ATOM 660 CB LEU A 44 -2.049 -6.441 1.391 1.00 0.00 C ATOM 661 CG LEU A 44 -2.724 -5.133 0.971 1.00 0.00 C ATOM 662 CD1 LEU A 44 -2.334 -3.989 1.908 1.00 0.00 C ATOM 663 CD2 LEU A 44 -2.420 -4.805 -0.493 1.00 0.00 C ATOM 0 H LEU A 44 -0.518 -7.966 0.148 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.244 -5.357 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.302 -7.209 0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.473 -6.756 2.344 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.803 -5.263 1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.827 -3.072 1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.643 -4.230 2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.253 -3.849 1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.911 -3.871 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.343 -4.701 -0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.789 -5.609 -1.130 1.00 0.00 H new ATOM 675 N VAL A 45 0.088 -5.732 3.768 1.00 0.00 N ATOM 676 CA VAL A 45 0.550 -5.927 5.132 1.00 0.00 C ATOM 677 C VAL A 45 -0.394 -5.203 6.094 1.00 0.00 C ATOM 678 O VAL A 45 -0.535 -3.983 6.030 1.00 0.00 O ATOM 679 CB VAL A 45 2.004 -5.467 5.262 1.00 0.00 C ATOM 680 CG1 VAL A 45 2.392 -5.289 6.731 1.00 0.00 C ATOM 681 CG2 VAL A 45 2.951 -6.441 4.558 1.00 0.00 C ATOM 0 H VAL A 45 -0.130 -4.766 3.526 1.00 0.00 H new ATOM 0 HA VAL A 45 0.532 -6.985 5.394 1.00 0.00 H new ATOM 0 HB VAL A 45 2.095 -4.498 4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.430 -4.962 6.796 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.746 -4.540 7.190 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.277 -6.238 7.255 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.978 -6.092 4.665 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.856 -7.430 5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.695 -6.497 3.500 1.00 0.00 H new ATOM 691 N ASP A 46 -1.016 -5.986 6.963 1.00 0.00 N ATOM 692 CA ASP A 46 -1.943 -5.435 7.937 1.00 0.00 C ATOM 693 C ASP A 46 -1.154 -4.828 9.099 1.00 0.00 C ATOM 694 O ASP A 46 -0.601 -5.554 9.925 1.00 0.00 O ATOM 695 CB ASP A 46 -2.857 -6.523 8.504 1.00 0.00 C ATOM 696 CG ASP A 46 -3.971 -6.017 9.423 1.00 0.00 C ATOM 697 OD1 ASP A 46 -3.826 -4.878 9.917 1.00 0.00 O ATOM 698 OD2 ASP A 46 -4.943 -6.781 9.610 1.00 0.00 O ATOM 0 H ASP A 46 -0.896 -6.998 7.013 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.549 -4.680 7.436 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.310 -7.065 7.674 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.247 -7.237 9.057 1.00 0.00 H new ATOM 703 N ILE A 47 -1.126 -3.504 9.126 1.00 0.00 N ATOM 704 CA ILE A 47 -0.413 -2.792 10.173 1.00 0.00 C ATOM 705 C ILE A 47 -1.254 -2.799 11.452 1.00 0.00 C ATOM 706 O ILE A 47 -0.713 -2.881 12.554 1.00 0.00 O ATOM 707 CB ILE A 47 -0.027 -1.389 9.699 1.00 0.00 C ATOM 708 CG1 ILE A 47 -1.265 -0.504 9.539 1.00 0.00 C ATOM 709 CG2 ILE A 47 0.802 -1.453 8.415 1.00 0.00 C ATOM 710 CD1 ILE A 47 -0.869 0.946 9.256 1.00 0.00 C ATOM 0 H ILE A 47 -1.585 -2.905 8.440 1.00 0.00 H new ATOM 0 HA ILE A 47 0.526 -3.295 10.405 1.00 0.00 H new ATOM 0 HB ILE A 47 0.599 -0.930 10.464 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.883 -0.881 8.725 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.869 -0.550 10.445 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.063 -0.443 8.100 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.713 -2.023 8.598 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.221 -1.939 7.631 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.767 1.554 9.147 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.271 1.328 10.083 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.286 0.991 8.336 1.00 0.00 H new ATOM 722 N SER A 48 -2.562 -2.713 11.263 1.00 0.00 N ATOM 723 CA SER A 48 -3.482 -2.708 12.387 1.00 0.00 C ATOM 724 C SER A 48 -3.322 -3.995 13.200 1.00 0.00 C ATOM 725 O SER A 48 -3.361 -3.966 14.429 1.00 0.00 O ATOM 726 CB SER A 48 -4.929 -2.557 11.914 1.00 0.00 C ATOM 727 OG SER A 48 -5.617 -1.527 12.620 1.00 0.00 O ATOM 0 H SER A 48 -3.007 -2.646 10.348 1.00 0.00 H new ATOM 0 HA SER A 48 -3.244 -1.853 13.020 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.940 -2.335 10.847 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.455 -3.502 12.048 1.00 0.00 H new ATOM 0 HG SER A 48 -5.639 -0.714 12.073 1.00 0.00 H new ATOM 733 N GLN A 49 -3.143 -5.093 12.480 1.00 0.00 N ATOM 734 CA GLN A 49 -2.976 -6.387 13.119 1.00 0.00 C ATOM 735 C GLN A 49 -1.943 -6.295 14.243 1.00 0.00 C ATOM 736 O GLN A 49 -2.270 -6.505 15.410 1.00 0.00 O ATOM 737 CB GLN A 49 -2.582 -7.456 12.098 1.00 0.00 C ATOM 738 CG GLN A 49 -3.785 -8.319 11.714 1.00 0.00 C ATOM 739 CD GLN A 49 -3.748 -9.666 12.440 1.00 0.00 C ATOM 740 OE1 GLN A 49 -3.609 -9.745 13.649 1.00 0.00 O ATOM 741 NE2 GLN A 49 -3.878 -10.717 11.636 1.00 0.00 N ATOM 0 H GLN A 49 -3.110 -5.113 11.461 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.931 -6.681 13.554 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.173 -6.979 11.207 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.795 -8.087 12.512 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.708 -7.794 11.961 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.790 -8.483 10.636 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.991 -10.580 10.632 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.865 -11.660 12.024 1.00 0.00 H new ATOM 750 N ASP A 50 -0.717 -5.980 13.852 1.00 0.00 N ATOM 751 CA ASP A 50 0.367 -5.857 14.813 1.00 0.00 C ATOM 752 C ASP A 50 0.734 -4.381 14.975 1.00 0.00 C ATOM 753 O ASP A 50 1.336 -3.786 14.082 1.00 0.00 O ATOM 754 CB ASP A 50 1.613 -6.605 14.335 1.00 0.00 C ATOM 755 CG ASP A 50 2.310 -7.449 15.404 1.00 0.00 C ATOM 756 OD1 ASP A 50 1.600 -7.880 16.339 1.00 0.00 O ATOM 757 OD2 ASP A 50 3.536 -7.646 15.262 1.00 0.00 O ATOM 0 H ASP A 50 -0.450 -5.806 12.883 1.00 0.00 H new ATOM 0 HA ASP A 50 0.031 -6.283 15.758 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.333 -7.255 13.506 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.326 -5.879 13.944 1.00 0.00 H new ATOM 762 N ASN A 51 0.357 -3.833 16.120 1.00 0.00 N ATOM 763 CA ASN A 51 0.639 -2.437 16.410 1.00 0.00 C ATOM 764 C ASN A 51 2.080 -2.118 16.006 1.00 0.00 C ATOM 765 O ASN A 51 2.357 -1.039 15.484 1.00 0.00 O ATOM 766 CB ASN A 51 0.492 -2.145 17.905 1.00 0.00 C ATOM 767 CG ASN A 51 1.273 -3.160 18.742 1.00 0.00 C ATOM 768 OD1 ASN A 51 0.919 -4.323 18.844 1.00 0.00 O ATOM 769 ND2 ASN A 51 2.353 -2.657 19.333 1.00 0.00 N ATOM 0 H ASN A 51 -0.141 -4.330 16.858 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.070 -1.826 15.851 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.851 -1.138 18.119 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.562 -2.173 18.183 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.942 -3.254 19.913 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.593 -1.674 19.206 1.00 0.00 H new ATOM 776 N ALA A 52 2.958 -3.076 16.262 1.00 0.00 N ATOM 777 CA ALA A 52 4.363 -2.910 15.930 1.00 0.00 C ATOM 778 C ALA A 52 4.486 -2.343 14.514 1.00 0.00 C ATOM 779 O ALA A 52 5.094 -1.293 14.312 1.00 0.00 O ATOM 780 CB ALA A 52 5.087 -4.249 16.087 1.00 0.00 C ATOM 0 H ALA A 52 2.724 -3.969 16.695 1.00 0.00 H new ATOM 0 HA ALA A 52 4.836 -2.202 16.610 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.141 -4.124 15.838 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.996 -4.593 17.117 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.641 -4.985 15.418 1.00 0.00 H new ATOM 786 N LEU A 53 3.899 -3.064 13.570 1.00 0.00 N ATOM 787 CA LEU A 53 3.935 -2.647 12.179 1.00 0.00 C ATOM 788 C LEU A 53 3.739 -1.131 12.101 1.00 0.00 C ATOM 789 O LEU A 53 4.587 -0.419 11.566 1.00 0.00 O ATOM 790 CB LEU A 53 2.920 -3.441 11.355 1.00 0.00 C ATOM 791 CG LEU A 53 3.256 -4.915 11.116 1.00 0.00 C ATOM 792 CD1 LEU A 53 1.987 -5.768 11.082 1.00 0.00 C ATOM 793 CD2 LEU A 53 4.097 -5.087 9.850 1.00 0.00 C ATOM 0 H LEU A 53 3.396 -3.934 13.741 1.00 0.00 H new ATOM 0 HA LEU A 53 4.908 -2.867 11.740 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.953 -3.386 11.855 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.807 -2.953 10.387 1.00 0.00 H new ATOM 0 HG LEU A 53 3.858 -5.268 11.953 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.254 -6.811 10.911 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.463 -5.679 12.034 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.338 -5.423 10.277 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.322 -6.143 9.703 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.542 -4.711 8.991 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.028 -4.529 9.953 1.00 0.00 H new ATOM 805 N ARG A 54 2.615 -0.683 12.642 1.00 0.00 N ATOM 806 CA ARG A 54 2.297 0.735 12.640 1.00 0.00 C ATOM 807 C ARG A 54 3.560 1.562 12.887 1.00 0.00 C ATOM 808 O ARG A 54 3.792 2.564 12.212 1.00 0.00 O ATOM 809 CB ARG A 54 1.259 1.068 13.713 1.00 0.00 C ATOM 810 CG ARG A 54 0.444 2.303 13.324 1.00 0.00 C ATOM 811 CD ARG A 54 -1.026 2.133 13.710 1.00 0.00 C ATOM 812 NE ARG A 54 -1.690 3.455 13.769 1.00 0.00 N ATOM 813 CZ ARG A 54 -1.495 4.350 14.747 1.00 0.00 C ATOM 814 NH1 ARG A 54 -0.655 4.071 15.753 1.00 0.00 N ATOM 815 NH2 ARG A 54 -2.140 5.524 14.718 1.00 0.00 N ATOM 0 H ARG A 54 1.914 -1.277 13.084 1.00 0.00 H new ATOM 0 HA ARG A 54 1.883 0.981 11.662 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.592 0.218 13.855 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.759 1.243 14.666 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.854 3.184 13.818 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.525 2.473 12.250 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.530 1.496 12.983 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.101 1.635 14.677 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.336 3.700 13.019 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.164 3.177 15.774 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.507 4.752 16.497 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.779 5.736 13.952 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.992 6.206 15.462 1.00 0.00 H new ATOM 829 N ASP A 55 4.344 1.112 13.856 1.00 0.00 N ATOM 830 CA ASP A 55 5.577 1.799 14.200 1.00 0.00 C ATOM 831 C ASP A 55 6.647 1.472 13.156 1.00 0.00 C ATOM 832 O ASP A 55 7.136 2.363 12.463 1.00 0.00 O ATOM 833 CB ASP A 55 6.097 1.346 15.566 1.00 0.00 C ATOM 834 CG ASP A 55 6.995 2.355 16.283 1.00 0.00 C ATOM 835 OD1 ASP A 55 6.429 3.310 16.859 1.00 0.00 O ATOM 836 OD2 ASP A 55 8.227 2.150 16.240 1.00 0.00 O ATOM 0 H ASP A 55 4.149 0.280 14.413 1.00 0.00 H new ATOM 0 HA ASP A 55 5.370 2.869 14.229 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.244 1.122 16.207 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.651 0.416 15.437 1.00 0.00 H new ATOM 841 N GLU A 56 6.978 0.191 13.075 1.00 0.00 N ATOM 842 CA GLU A 56 7.981 -0.264 12.127 1.00 0.00 C ATOM 843 C GLU A 56 7.839 0.488 10.802 1.00 0.00 C ATOM 844 O GLU A 56 8.828 0.961 10.244 1.00 0.00 O ATOM 845 CB GLU A 56 7.885 -1.776 11.912 1.00 0.00 C ATOM 846 CG GLU A 56 9.083 -2.495 12.535 1.00 0.00 C ATOM 847 CD GLU A 56 8.789 -3.985 12.727 1.00 0.00 C ATOM 848 OE1 GLU A 56 8.061 -4.534 11.872 1.00 0.00 O ATOM 849 OE2 GLU A 56 9.300 -4.540 13.723 1.00 0.00 O ATOM 0 H GLU A 56 6.569 -0.546 13.650 1.00 0.00 H new ATOM 0 HA GLU A 56 8.967 -0.050 12.540 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.961 -2.152 12.352 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.841 -1.993 10.845 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.958 -2.373 11.896 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.324 -2.041 13.496 1.00 0.00 H new ATOM 856 N MET A 57 6.601 0.576 10.338 1.00 0.00 N ATOM 857 CA MET A 57 6.317 1.263 9.090 1.00 0.00 C ATOM 858 C MET A 57 6.589 2.763 9.215 1.00 0.00 C ATOM 859 O MET A 57 7.202 3.363 8.333 1.00 0.00 O ATOM 860 CB MET A 57 4.853 1.040 8.706 1.00 0.00 C ATOM 861 CG MET A 57 4.567 1.572 7.300 1.00 0.00 C ATOM 862 SD MET A 57 4.323 3.340 7.355 1.00 0.00 S ATOM 863 CE MET A 57 2.770 3.411 8.232 1.00 0.00 C ATOM 0 H MET A 57 5.783 0.183 10.804 1.00 0.00 H new ATOM 0 HA MET A 57 6.971 0.858 8.318 1.00 0.00 H new ATOM 0 HB2 MET A 57 4.620 -0.024 8.750 1.00 0.00 H new ATOM 0 HB3 MET A 57 4.204 1.539 9.426 1.00 0.00 H new ATOM 0 HG2 MET A 57 5.397 1.331 6.635 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.681 1.087 6.892 1.00 0.00 H new ATOM 0 HE1 MET A 57 2.205 4.283 7.902 1.00 0.00 H new ATOM 0 HE2 MET A 57 2.195 2.508 8.028 1.00 0.00 H new ATOM 0 HE3 MET A 57 2.960 3.486 9.303 1.00 0.00 H new ATOM 873 N ARG A 58 6.121 3.327 10.319 1.00 0.00 N ATOM 874 CA ARG A 58 6.306 4.746 10.571 1.00 0.00 C ATOM 875 C ARG A 58 7.791 5.107 10.509 1.00 0.00 C ATOM 876 O ARG A 58 8.162 6.132 9.939 1.00 0.00 O ATOM 877 CB ARG A 58 5.749 5.139 11.941 1.00 0.00 C ATOM 878 CG ARG A 58 4.318 5.666 11.820 1.00 0.00 C ATOM 879 CD ARG A 58 3.456 5.182 12.988 1.00 0.00 C ATOM 880 NE ARG A 58 2.121 4.773 12.496 1.00 0.00 N ATOM 881 CZ ARG A 58 1.106 5.622 12.283 1.00 0.00 C ATOM 882 NH1 ARG A 58 1.267 6.931 12.517 1.00 0.00 N ATOM 883 NH2 ARG A 58 -0.070 5.161 11.835 1.00 0.00 N ATOM 0 H ARG A 58 5.614 2.827 11.049 1.00 0.00 H new ATOM 0 HA ARG A 58 5.763 5.293 9.800 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.767 4.276 12.606 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.385 5.902 12.391 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.328 6.756 11.798 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.882 5.332 10.878 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.942 4.343 13.486 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.353 5.976 13.728 1.00 0.00 H new ATOM 0 HE ARG A 58 1.964 3.783 12.307 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.162 7.282 12.857 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.494 7.577 12.355 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.192 4.164 11.656 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.843 5.807 11.673 1.00 0.00 H new ATOM 897 N THR A 59 8.602 4.244 11.103 1.00 0.00 N ATOM 898 CA THR A 59 10.039 4.458 11.123 1.00 0.00 C ATOM 899 C THR A 59 10.617 4.328 9.712 1.00 0.00 C ATOM 900 O THR A 59 11.253 5.254 9.210 1.00 0.00 O ATOM 901 CB THR A 59 10.651 3.475 12.123 1.00 0.00 C ATOM 902 OG1 THR A 59 10.487 4.117 13.385 1.00 0.00 O ATOM 903 CG2 THR A 59 12.167 3.346 11.964 1.00 0.00 C ATOM 0 H THR A 59 8.291 3.395 11.574 1.00 0.00 H new ATOM 0 HA THR A 59 10.283 5.469 11.449 1.00 0.00 H new ATOM 0 HB THR A 59 10.189 2.496 11.999 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.855 3.547 14.092 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.551 2.637 12.697 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.399 2.991 10.960 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.633 4.319 12.121 1.00 0.00 H new ATOM 911 N LEU A 60 10.375 3.172 9.112 1.00 0.00 N ATOM 912 CA LEU A 60 10.863 2.909 7.769 1.00 0.00 C ATOM 913 C LEU A 60 10.525 4.096 6.866 1.00 0.00 C ATOM 914 O LEU A 60 11.407 4.664 6.224 1.00 0.00 O ATOM 915 CB LEU A 60 10.325 1.572 7.256 1.00 0.00 C ATOM 916 CG LEU A 60 10.838 0.322 7.973 1.00 0.00 C ATOM 917 CD1 LEU A 60 9.912 -0.871 7.726 1.00 0.00 C ATOM 918 CD2 LEU A 60 12.284 0.017 7.577 1.00 0.00 C ATOM 0 H LEU A 60 9.847 2.407 9.531 1.00 0.00 H new ATOM 0 HA LEU A 60 11.948 2.810 7.771 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.238 1.588 7.330 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.571 1.486 6.198 1.00 0.00 H new ATOM 0 HG LEU A 60 10.832 0.517 9.045 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.300 -1.746 8.247 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.914 -0.640 8.098 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.862 -1.078 6.657 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.624 -0.876 8.101 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.339 -0.150 6.501 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.920 0.860 7.846 1.00 0.00 H new ATOM 930 N ALA A 61 9.244 4.437 6.846 1.00 0.00 N ATOM 931 CA ALA A 61 8.778 5.547 6.032 1.00 0.00 C ATOM 932 C ALA A 61 9.624 6.786 6.334 1.00 0.00 C ATOM 933 O ALA A 61 10.079 7.469 5.418 1.00 0.00 O ATOM 934 CB ALA A 61 7.289 5.780 6.292 1.00 0.00 C ATOM 0 H ALA A 61 8.515 3.964 7.380 1.00 0.00 H new ATOM 0 HA ALA A 61 8.892 5.321 4.972 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.939 6.613 5.682 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.730 4.881 6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.136 6.013 7.346 1.00 0.00 H new ATOM 940 N GLY A 62 9.809 7.037 7.622 1.00 0.00 N ATOM 941 CA GLY A 62 10.592 8.182 8.056 1.00 0.00 C ATOM 942 C GLY A 62 9.696 9.254 8.679 1.00 0.00 C ATOM 943 O GLY A 62 9.967 10.447 8.549 1.00 0.00 O ATOM 0 H GLY A 62 9.430 6.467 8.379 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.340 7.862 8.781 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.131 8.602 7.207 1.00 0.00 H new ATOM 947 N ASN A 63 8.646 8.791 9.342 1.00 0.00 N ATOM 948 CA ASN A 63 7.709 9.696 9.985 1.00 0.00 C ATOM 949 C ASN A 63 6.845 8.910 10.973 1.00 0.00 C ATOM 950 O ASN A 63 6.286 7.871 10.625 1.00 0.00 O ATOM 951 CB ASN A 63 6.780 10.348 8.959 1.00 0.00 C ATOM 952 CG ASN A 63 6.427 11.779 9.371 1.00 0.00 C ATOM 953 OD1 ASN A 63 7.268 12.558 9.786 1.00 0.00 O ATOM 954 ND2 ASN A 63 5.139 12.079 9.233 1.00 0.00 N ATOM 0 H ASN A 63 8.424 7.801 9.448 1.00 0.00 H new ATOM 0 HA ASN A 63 8.283 10.470 10.494 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.261 10.355 7.981 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.868 9.758 8.862 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.803 13.009 9.481 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.487 11.379 8.879 1.00 0.00 H new ATOM 961 N PRO A 64 6.760 9.450 12.219 1.00 0.00 N ATOM 962 CA PRO A 64 5.973 8.811 13.259 1.00 0.00 C ATOM 963 C PRO A 64 4.476 9.026 13.026 1.00 0.00 C ATOM 964 O PRO A 64 3.660 8.178 13.382 1.00 0.00 O ATOM 965 CB PRO A 64 6.466 9.425 14.559 1.00 0.00 C ATOM 966 CG PRO A 64 7.176 10.712 14.169 1.00 0.00 C ATOM 967 CD PRO A 64 7.408 10.679 12.667 1.00 0.00 C ATOM 0 HA PRO A 64 6.096 7.728 13.273 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.635 9.627 15.235 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.143 8.747 15.079 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.574 11.578 14.443 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.124 10.801 14.700 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.977 11.554 12.180 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.472 10.675 12.431 1.00 0.00 H new ATOM 975 N LYS A 65 4.161 10.167 12.429 1.00 0.00 N ATOM 976 CA LYS A 65 2.777 10.505 12.144 1.00 0.00 C ATOM 977 C LYS A 65 2.428 10.051 10.726 1.00 0.00 C ATOM 978 O LYS A 65 1.595 10.665 10.061 1.00 0.00 O ATOM 979 CB LYS A 65 2.528 11.994 12.392 1.00 0.00 C ATOM 980 CG LYS A 65 2.606 12.322 13.885 1.00 0.00 C ATOM 981 CD LYS A 65 4.059 12.487 14.334 1.00 0.00 C ATOM 982 CE LYS A 65 4.133 12.941 15.794 1.00 0.00 C ATOM 983 NZ LYS A 65 5.315 13.805 16.009 1.00 0.00 N ATOM 0 H LYS A 65 4.841 10.869 12.135 1.00 0.00 H new ATOM 0 HA LYS A 65 2.108 9.976 12.822 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.264 12.585 11.847 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.547 12.272 12.006 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.052 13.238 14.089 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.131 11.528 14.461 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.590 11.542 14.216 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.560 13.216 13.697 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.226 13.484 16.059 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.187 12.071 16.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.350 14.104 17.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.179 13.275 15.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.248 14.644 15.398 1.00 0.00 H new ATOM 997 N ALA A 66 3.081 8.978 10.304 1.00 0.00 N ATOM 998 CA ALA A 66 2.850 8.434 8.977 1.00 0.00 C ATOM 999 C ALA A 66 1.567 7.600 8.989 1.00 0.00 C ATOM 1000 O ALA A 66 1.164 7.089 10.032 1.00 0.00 O ATOM 1001 CB ALA A 66 4.069 7.621 8.538 1.00 0.00 C ATOM 0 H ALA A 66 3.771 8.471 10.858 1.00 0.00 H new ATOM 0 HA ALA A 66 2.716 9.237 8.252 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.895 7.213 7.542 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.948 8.265 8.518 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.234 6.804 9.241 1.00 0.00 H new ATOM 1007 N THR A 67 0.961 7.489 7.816 1.00 0.00 N ATOM 1008 CA THR A 67 -0.268 6.726 7.678 1.00 0.00 C ATOM 1009 C THR A 67 -0.311 6.024 6.319 1.00 0.00 C ATOM 1010 O THR A 67 0.404 6.409 5.395 1.00 0.00 O ATOM 1011 CB THR A 67 -1.444 7.678 7.907 1.00 0.00 C ATOM 1012 OG1 THR A 67 -1.098 8.843 7.161 1.00 0.00 O ATOM 1013 CG2 THR A 67 -1.525 8.172 9.352 1.00 0.00 C ATOM 0 H THR A 67 1.298 7.915 6.953 1.00 0.00 H new ATOM 0 HA THR A 67 -0.325 5.931 8.421 1.00 0.00 H new ATOM 0 HB THR A 67 -2.374 7.175 7.643 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.808 9.513 7.252 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.377 8.844 9.460 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.648 7.320 10.021 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.608 8.704 9.606 1.00 0.00 H new ATOM 1021 N PRO A 68 -1.177 4.979 6.239 1.00 0.00 N ATOM 1022 CA PRO A 68 -1.322 4.219 5.009 1.00 0.00 C ATOM 1023 C PRO A 68 -2.122 5.007 3.970 1.00 0.00 C ATOM 1024 O PRO A 68 -2.756 6.009 4.297 1.00 0.00 O ATOM 1025 CB PRO A 68 -2.001 2.924 5.424 1.00 0.00 C ATOM 1026 CG PRO A 68 -2.628 3.199 6.781 1.00 0.00 C ATOM 1027 CD PRO A 68 -2.039 4.495 7.314 1.00 0.00 C ATOM 0 HA PRO A 68 -0.367 4.015 4.525 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.757 2.629 4.697 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.281 2.108 5.484 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.711 3.281 6.691 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.426 2.377 7.468 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.820 5.217 7.551 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.473 4.326 8.230 1.00 0.00 H new ATOM 1035 N PRO A 69 -2.065 4.511 2.704 1.00 0.00 N ATOM 1036 CA PRO A 69 -1.290 3.319 2.402 1.00 0.00 C ATOM 1037 C PRO A 69 0.208 3.628 2.386 1.00 0.00 C ATOM 1038 O PRO A 69 0.614 4.762 2.634 1.00 0.00 O ATOM 1039 CB PRO A 69 -1.813 2.841 1.057 1.00 0.00 C ATOM 1040 CG PRO A 69 -2.528 4.033 0.440 1.00 0.00 C ATOM 1041 CD PRO A 69 -2.733 5.070 1.533 1.00 0.00 C ATOM 0 HA PRO A 69 -1.402 2.541 3.157 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -0.997 2.502 0.419 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.493 1.998 1.180 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -1.939 4.450 -0.377 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.486 3.728 0.019 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.302 6.031 1.253 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.793 5.239 1.725 1.00 0.00 H new ATOM 1049 N GLN A 70 0.989 2.599 2.090 1.00 0.00 N ATOM 1050 CA GLN A 70 2.433 2.746 2.038 1.00 0.00 C ATOM 1051 C GLN A 70 3.047 1.654 1.160 1.00 0.00 C ATOM 1052 O GLN A 70 2.969 0.471 1.489 1.00 0.00 O ATOM 1053 CB GLN A 70 3.038 2.724 3.444 1.00 0.00 C ATOM 1054 CG GLN A 70 3.745 4.044 3.758 1.00 0.00 C ATOM 1055 CD GLN A 70 2.824 4.988 4.532 1.00 0.00 C ATOM 1056 OE1 GLN A 70 1.974 4.574 5.303 1.00 0.00 O ATOM 1057 NE2 GLN A 70 3.039 6.277 4.285 1.00 0.00 N ATOM 0 H GLN A 70 0.648 1.660 1.884 1.00 0.00 H new ATOM 0 HA GLN A 70 2.664 3.714 1.594 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.253 2.544 4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.746 1.900 3.526 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.645 3.849 4.341 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.063 4.520 2.830 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.767 6.556 3.628 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.476 6.987 4.753 1.00 0.00 H new ATOM 1066 N ILE A 71 3.643 2.089 0.060 1.00 0.00 N ATOM 1067 CA ILE A 71 4.269 1.164 -0.868 1.00 0.00 C ATOM 1068 C ILE A 71 5.741 0.986 -0.490 1.00 0.00 C ATOM 1069 O ILE A 71 6.464 1.966 -0.316 1.00 0.00 O ATOM 1070 CB ILE A 71 4.057 1.626 -2.311 1.00 0.00 C ATOM 1071 CG1 ILE A 71 2.567 1.715 -2.645 1.00 0.00 C ATOM 1072 CG2 ILE A 71 4.811 0.725 -3.292 1.00 0.00 C ATOM 1073 CD1 ILE A 71 2.075 3.162 -2.576 1.00 0.00 C ATOM 0 H ILE A 71 3.706 3.071 -0.209 1.00 0.00 H new ATOM 0 HA ILE A 71 3.801 0.182 -0.800 1.00 0.00 H new ATOM 0 HB ILE A 71 4.470 2.629 -2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.390 1.314 -3.643 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.997 1.100 -1.949 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.643 1.075 -4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.877 0.756 -3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.450 -0.299 -3.197 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.013 3.197 -2.818 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.231 3.552 -1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.630 3.769 -3.291 1.00 0.00 H new ATOM 1085 N VAL A 72 6.142 -0.271 -0.373 1.00 0.00 N ATOM 1086 CA VAL A 72 7.514 -0.590 -0.017 1.00 0.00 C ATOM 1087 C VAL A 72 8.058 -1.639 -0.990 1.00 0.00 C ATOM 1088 O VAL A 72 7.331 -2.539 -1.407 1.00 0.00 O ATOM 1089 CB VAL A 72 7.587 -1.036 1.444 1.00 0.00 C ATOM 1090 CG1 VAL A 72 9.037 -1.106 1.925 1.00 0.00 C ATOM 1091 CG2 VAL A 72 6.756 -0.114 2.340 1.00 0.00 C ATOM 0 H VAL A 72 5.540 -1.082 -0.519 1.00 0.00 H new ATOM 0 HA VAL A 72 8.146 0.294 -0.104 1.00 0.00 H new ATOM 0 HB VAL A 72 7.164 -2.039 1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.060 -1.426 2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.589 -1.820 1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.497 -0.122 1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.825 -0.453 3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.136 0.905 2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.715 -0.137 2.019 1.00 0.00 H new ATOM 1101 N ASN A 73 9.331 -1.487 -1.323 1.00 0.00 N ATOM 1102 CA ASN A 73 9.980 -2.409 -2.238 1.00 0.00 C ATOM 1103 C ASN A 73 11.110 -3.136 -1.507 1.00 0.00 C ATOM 1104 O ASN A 73 12.163 -2.554 -1.248 1.00 0.00 O ATOM 1105 CB ASN A 73 10.589 -1.667 -3.430 1.00 0.00 C ATOM 1106 CG ASN A 73 10.800 -2.611 -4.615 1.00 0.00 C ATOM 1107 OD1 ASN A 73 11.550 -3.571 -4.550 1.00 0.00 O ATOM 1108 ND2 ASN A 73 10.099 -2.286 -5.697 1.00 0.00 N ATOM 0 H ASN A 73 9.930 -0.739 -0.975 1.00 0.00 H new ATOM 0 HA ASN A 73 9.228 -3.112 -2.597 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.934 -0.847 -3.726 1.00 0.00 H new ATOM 0 HB3 ASN A 73 11.542 -1.225 -3.139 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.171 -2.854 -6.541 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.489 -1.468 -5.683 1.00 0.00 H new ATOM 1115 N GLY A 74 10.854 -4.398 -1.194 1.00 0.00 N ATOM 1116 CA GLY A 74 11.837 -5.210 -0.497 1.00 0.00 C ATOM 1117 C GLY A 74 12.278 -4.540 0.806 1.00 0.00 C ATOM 1118 O GLY A 74 11.706 -4.796 1.864 1.00 0.00 O ATOM 0 H GLY A 74 9.980 -4.878 -1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.415 -6.192 -0.281 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.703 -5.370 -1.139 1.00 0.00 H new ATOM 1122 N ASN A 75 13.291 -3.695 0.686 1.00 0.00 N ATOM 1123 CA ASN A 75 13.816 -2.986 1.841 1.00 0.00 C ATOM 1124 C ASN A 75 13.925 -1.496 1.513 1.00 0.00 C ATOM 1125 O ASN A 75 14.675 -0.767 2.161 1.00 0.00 O ATOM 1126 CB ASN A 75 15.211 -3.493 2.211 1.00 0.00 C ATOM 1127 CG ASN A 75 15.321 -3.748 3.716 1.00 0.00 C ATOM 1128 OD1 ASN A 75 14.337 -3.800 4.436 1.00 0.00 O ATOM 1129 ND2 ASN A 75 16.568 -3.904 4.148 1.00 0.00 N ATOM 0 H ASN A 75 13.763 -3.485 -0.194 1.00 0.00 H new ATOM 0 HA ASN A 75 13.138 -3.155 2.678 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.424 -4.413 1.666 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.960 -2.762 1.907 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.747 -4.079 5.137 1.00 0.00 H new ATOM 0 HD22 ASN A 75 17.346 -3.848 3.491 1.00 0.00 H new ATOM 1136 N HIS A 76 13.167 -1.087 0.506 1.00 0.00 N ATOM 1137 CA HIS A 76 13.169 0.303 0.084 1.00 0.00 C ATOM 1138 C HIS A 76 11.799 0.925 0.359 1.00 0.00 C ATOM 1139 O HIS A 76 10.790 0.223 0.392 1.00 0.00 O ATOM 1140 CB HIS A 76 13.593 0.426 -1.381 1.00 0.00 C ATOM 1141 CG HIS A 76 14.920 -0.224 -1.693 1.00 0.00 C ATOM 1142 ND1 HIS A 76 16.126 0.275 -1.230 1.00 0.00 N ATOM 1143 CD2 HIS A 76 15.219 -1.335 -2.424 1.00 0.00 C ATOM 1144 CE1 HIS A 76 17.099 -0.510 -1.669 1.00 0.00 C ATOM 1145 NE2 HIS A 76 16.535 -1.506 -2.410 1.00 0.00 N ATOM 0 H HIS A 76 12.547 -1.694 -0.030 1.00 0.00 H new ATOM 0 HA HIS A 76 13.905 0.861 0.663 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.824 -0.022 -2.010 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.646 1.482 -1.646 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.505 -1.969 -2.929 1.00 0.00 H new ATOM 0 HE1 HIS A 76 18.154 -0.383 -1.474 1.00 0.00 H new ATOM 0 HE2 HIS A 76 17.041 -2.259 -2.877 1.00 0.00 H new ATOM 1153 N TYR A 77 11.807 2.237 0.549 1.00 0.00 N ATOM 1154 CA TYR A 77 10.577 2.961 0.820 1.00 0.00 C ATOM 1155 C TYR A 77 10.160 3.803 -0.388 1.00 0.00 C ATOM 1156 O TYR A 77 10.808 4.799 -0.709 1.00 0.00 O ATOM 1157 CB TYR A 77 10.886 3.893 1.993 1.00 0.00 C ATOM 1158 CG TYR A 77 9.775 4.899 2.298 1.00 0.00 C ATOM 1159 CD1 TYR A 77 8.469 4.470 2.421 1.00 0.00 C ATOM 1160 CD2 TYR A 77 10.079 6.237 2.451 1.00 0.00 C ATOM 1161 CE1 TYR A 77 7.424 5.417 2.708 1.00 0.00 C ATOM 1162 CE2 TYR A 77 9.033 7.185 2.737 1.00 0.00 C ATOM 1163 CZ TYR A 77 7.757 6.728 2.852 1.00 0.00 C ATOM 1164 OH TYR A 77 6.769 7.623 3.123 1.00 0.00 O ATOM 0 H TYR A 77 12.646 2.817 0.521 1.00 0.00 H new ATOM 0 HA TYR A 77 9.764 2.269 1.039 1.00 0.00 H new ATOM 0 HB2 TYR A 77 11.071 3.291 2.883 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.806 4.437 1.779 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.231 3.423 2.302 1.00 0.00 H new ATOM 0 HD2 TYR A 77 11.101 6.573 2.356 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.398 5.094 2.807 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.257 8.235 2.857 1.00 0.00 H new ATOM 0 HH TYR A 77 7.153 8.521 3.201 1.00 0.00 H new ATOM 1174 N CYS A 78 9.080 3.373 -1.024 1.00 0.00 N ATOM 1175 CA CYS A 78 8.569 4.075 -2.189 1.00 0.00 C ATOM 1176 C CYS A 78 8.009 5.424 -1.730 1.00 0.00 C ATOM 1177 O CYS A 78 8.577 6.471 -2.035 1.00 0.00 O ATOM 1178 CB CYS A 78 7.520 3.246 -2.934 1.00 0.00 C ATOM 1179 SG CYS A 78 8.251 1.661 -3.483 1.00 0.00 S ATOM 0 H CYS A 78 8.545 2.547 -0.755 1.00 0.00 H new ATOM 0 HA CYS A 78 9.378 4.241 -2.900 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.666 3.056 -2.284 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.149 3.802 -3.795 1.00 0.00 H new ATOM 0 HG CYS A 78 7.917 0.718 -2.653 1.00 0.00 H new ATOM 1185 N GLY A 79 6.902 5.353 -1.005 1.00 0.00 N ATOM 1186 CA GLY A 79 6.260 6.555 -0.501 1.00 0.00 C ATOM 1187 C GLY A 79 4.830 6.262 -0.044 1.00 0.00 C ATOM 1188 O GLY A 79 4.532 5.156 0.406 1.00 0.00 O ATOM 0 H GLY A 79 6.434 4.482 -0.755 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.836 6.958 0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.248 7.319 -1.279 1.00 0.00 H new ATOM 1192 N ASP A 80 3.982 7.271 -0.175 1.00 0.00 N ATOM 1193 CA ASP A 80 2.590 7.136 0.219 1.00 0.00 C ATOM 1194 C ASP A 80 1.700 7.255 -1.019 1.00 0.00 C ATOM 1195 O ASP A 80 2.197 7.423 -2.132 1.00 0.00 O ATOM 1196 CB ASP A 80 2.185 8.238 1.200 1.00 0.00 C ATOM 1197 CG ASP A 80 2.410 9.666 0.697 1.00 0.00 C ATOM 1198 OD1 ASP A 80 3.416 9.863 -0.019 1.00 0.00 O ATOM 1199 OD2 ASP A 80 1.572 10.527 1.041 1.00 0.00 O ATOM 0 H ASP A 80 4.232 8.186 -0.549 1.00 0.00 H new ATOM 0 HA ASP A 80 2.469 6.165 0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.130 8.117 1.444 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.744 8.103 2.126 1.00 0.00 H new ATOM 1204 N TYR A 81 0.399 7.163 -0.785 1.00 0.00 N ATOM 1205 CA TYR A 81 -0.565 7.258 -1.868 1.00 0.00 C ATOM 1206 C TYR A 81 -0.312 8.504 -2.719 1.00 0.00 C ATOM 1207 O TYR A 81 -0.376 8.446 -3.946 1.00 0.00 O ATOM 1208 CB TYR A 81 -1.937 7.380 -1.201 1.00 0.00 C ATOM 1209 CG TYR A 81 -3.072 7.716 -2.171 1.00 0.00 C ATOM 1210 CD1 TYR A 81 -3.271 9.021 -2.575 1.00 0.00 C ATOM 1211 CD2 TYR A 81 -3.897 6.715 -2.641 1.00 0.00 C ATOM 1212 CE1 TYR A 81 -4.339 9.337 -3.487 1.00 0.00 C ATOM 1213 CE2 TYR A 81 -4.965 7.031 -3.553 1.00 0.00 C ATOM 1214 CZ TYR A 81 -5.133 8.327 -3.932 1.00 0.00 C ATOM 1215 OH TYR A 81 -6.142 8.625 -4.793 1.00 0.00 O ATOM 0 H TYR A 81 -0.010 7.024 0.139 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.494 6.390 -2.523 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.169 6.442 -0.697 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.889 8.152 -0.433 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.626 9.805 -2.207 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.742 5.694 -2.325 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.506 10.354 -3.811 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.618 6.257 -3.928 1.00 0.00 H new ATOM 0 HH TYR A 81 -6.157 7.967 -5.519 1.00 0.00 H new ATOM 1225 N GLU A 82 -0.031 9.603 -2.034 1.00 0.00 N ATOM 1226 CA GLU A 82 0.232 10.861 -2.712 1.00 0.00 C ATOM 1227 C GLU A 82 1.348 10.685 -3.744 1.00 0.00 C ATOM 1228 O GLU A 82 1.149 10.949 -4.929 1.00 0.00 O ATOM 1229 CB GLU A 82 0.582 11.962 -1.708 1.00 0.00 C ATOM 1230 CG GLU A 82 -0.590 12.236 -0.764 1.00 0.00 C ATOM 1231 CD GLU A 82 -0.491 13.638 -0.160 1.00 0.00 C ATOM 1232 OE1 GLU A 82 -0.517 14.602 -0.956 1.00 0.00 O ATOM 1233 OE2 GLU A 82 -0.392 13.715 1.084 1.00 0.00 O ATOM 0 H GLU A 82 0.020 9.648 -1.016 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.674 11.166 -3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.458 11.667 -1.130 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.845 12.875 -2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.530 12.135 -1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.601 11.493 0.033 1.00 0.00 H new ATOM 1240 N LEU A 83 2.497 10.240 -3.256 1.00 0.00 N ATOM 1241 CA LEU A 83 3.644 10.025 -4.122 1.00 0.00 C ATOM 1242 C LEU A 83 3.252 9.074 -5.254 1.00 0.00 C ATOM 1243 O LEU A 83 3.583 9.315 -6.414 1.00 0.00 O ATOM 1244 CB LEU A 83 4.848 9.549 -3.307 1.00 0.00 C ATOM 1245 CG LEU A 83 5.879 10.619 -2.945 1.00 0.00 C ATOM 1246 CD1 LEU A 83 5.198 11.867 -2.379 1.00 0.00 C ATOM 1247 CD2 LEU A 83 6.937 10.061 -1.991 1.00 0.00 C ATOM 0 H LEU A 83 2.658 10.023 -2.273 1.00 0.00 H new ATOM 0 HA LEU A 83 3.953 10.962 -4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.482 9.099 -2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.352 8.762 -3.867 1.00 0.00 H new ATOM 0 HG LEU A 83 6.395 10.919 -3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.953 12.612 -2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.515 12.277 -3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.640 11.601 -1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.658 10.842 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.456 9.716 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.452 9.227 -2.467 1.00 0.00 H new ATOM 1259 N PHE A 84 2.553 8.013 -4.878 1.00 0.00 N ATOM 1260 CA PHE A 84 2.113 7.025 -5.848 1.00 0.00 C ATOM 1261 C PHE A 84 1.302 7.679 -6.968 1.00 0.00 C ATOM 1262 O PHE A 84 1.512 7.385 -8.144 1.00 0.00 O ATOM 1263 CB PHE A 84 1.220 6.032 -5.101 1.00 0.00 C ATOM 1264 CG PHE A 84 1.034 4.697 -5.823 1.00 0.00 C ATOM 1265 CD1 PHE A 84 1.992 3.736 -5.733 1.00 0.00 C ATOM 1266 CD2 PHE A 84 -0.089 4.470 -6.556 1.00 0.00 C ATOM 1267 CE1 PHE A 84 1.819 2.496 -6.404 1.00 0.00 C ATOM 1268 CE2 PHE A 84 -0.262 3.231 -7.226 1.00 0.00 C ATOM 1269 CZ PHE A 84 0.696 2.270 -7.137 1.00 0.00 C ATOM 0 H PHE A 84 2.281 7.816 -3.915 1.00 0.00 H new ATOM 0 HA PHE A 84 2.977 6.536 -6.299 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.648 5.844 -4.116 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.242 6.487 -4.942 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.884 3.916 -5.151 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.850 5.233 -6.628 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.579 1.733 -6.332 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.155 3.051 -7.807 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.565 1.328 -7.648 1.00 0.00 H new ATOM 1279 N VAL A 85 0.393 8.554 -6.564 1.00 0.00 N ATOM 1280 CA VAL A 85 -0.450 9.252 -7.519 1.00 0.00 C ATOM 1281 C VAL A 85 0.409 10.213 -8.344 1.00 0.00 C ATOM 1282 O VAL A 85 0.266 10.288 -9.564 1.00 0.00 O ATOM 1283 CB VAL A 85 -1.598 9.953 -6.790 1.00 0.00 C ATOM 1284 CG1 VAL A 85 -1.374 11.466 -6.742 1.00 0.00 C ATOM 1285 CG2 VAL A 85 -2.944 9.618 -7.435 1.00 0.00 C ATOM 0 H VAL A 85 0.222 8.795 -5.588 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.906 8.546 -8.213 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.618 9.584 -5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.204 11.940 -6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.444 11.680 -6.216 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.314 11.857 -7.758 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.742 10.129 -6.897 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.940 9.944 -8.475 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.110 8.541 -7.393 1.00 0.00 H new ATOM 1295 N GLU A 86 1.282 10.924 -7.646 1.00 0.00 N ATOM 1296 CA GLU A 86 2.164 11.877 -8.299 1.00 0.00 C ATOM 1297 C GLU A 86 2.875 11.217 -9.482 1.00 0.00 C ATOM 1298 O GLU A 86 2.981 11.809 -10.556 1.00 0.00 O ATOM 1299 CB GLU A 86 3.174 12.458 -7.307 1.00 0.00 C ATOM 1300 CG GLU A 86 3.698 13.812 -7.789 1.00 0.00 C ATOM 1301 CD GLU A 86 5.148 13.701 -8.265 1.00 0.00 C ATOM 1302 OE1 GLU A 86 5.997 13.344 -7.420 1.00 0.00 O ATOM 1303 OE2 GLU A 86 5.374 13.975 -9.464 1.00 0.00 O ATOM 0 H GLU A 86 1.398 10.859 -6.635 1.00 0.00 H new ATOM 0 HA GLU A 86 1.560 12.702 -8.677 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.705 12.572 -6.330 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.006 11.765 -7.182 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.072 14.180 -8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.632 14.540 -6.981 1.00 0.00 H new ATOM 1310 N ALA A 87 3.344 10.000 -9.247 1.00 0.00 N ATOM 1311 CA ALA A 87 4.042 9.254 -10.280 1.00 0.00 C ATOM 1312 C ALA A 87 3.030 8.752 -11.312 1.00 0.00 C ATOM 1313 O ALA A 87 3.155 9.040 -12.501 1.00 0.00 O ATOM 1314 CB ALA A 87 4.836 8.114 -9.638 1.00 0.00 C ATOM 0 H ALA A 87 3.254 9.512 -8.356 1.00 0.00 H new ATOM 0 HA ALA A 87 4.754 9.894 -10.801 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.360 7.554 -10.413 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.560 8.526 -8.935 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.154 7.449 -9.108 1.00 0.00 H new ATOM 1320 N VAL A 88 2.050 8.008 -10.819 1.00 0.00 N ATOM 1321 CA VAL A 88 1.018 7.463 -11.683 1.00 0.00 C ATOM 1322 C VAL A 88 0.597 8.525 -12.701 1.00 0.00 C ATOM 1323 O VAL A 88 0.426 8.225 -13.882 1.00 0.00 O ATOM 1324 CB VAL A 88 -0.151 6.946 -10.841 1.00 0.00 C ATOM 1325 CG1 VAL A 88 -1.401 6.750 -11.700 1.00 0.00 C ATOM 1326 CG2 VAL A 88 0.226 5.651 -10.118 1.00 0.00 C ATOM 0 H VAL A 88 1.950 7.770 -9.832 1.00 0.00 H new ATOM 0 HA VAL A 88 1.401 6.610 -12.243 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.379 7.698 -10.086 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.216 6.382 -11.077 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.687 7.701 -12.148 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.191 6.026 -12.488 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.622 5.304 -9.527 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.493 4.890 -10.851 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.076 5.835 -9.461 1.00 0.00 H new ATOM 1336 N GLU A 89 0.441 9.744 -12.206 1.00 0.00 N ATOM 1337 CA GLU A 89 0.044 10.852 -13.057 1.00 0.00 C ATOM 1338 C GLU A 89 1.157 11.181 -14.054 1.00 0.00 C ATOM 1339 O GLU A 89 0.890 11.423 -15.230 1.00 0.00 O ATOM 1340 CB GLU A 89 -0.325 12.080 -12.223 1.00 0.00 C ATOM 1341 CG GLU A 89 -1.548 11.800 -11.347 1.00 0.00 C ATOM 1342 CD GLU A 89 -2.677 12.788 -11.648 1.00 0.00 C ATOM 1343 OE1 GLU A 89 -2.377 14.001 -11.676 1.00 0.00 O ATOM 1344 OE2 GLU A 89 -3.814 12.308 -11.845 1.00 0.00 O ATOM 0 H GLU A 89 0.583 9.988 -11.226 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.843 10.554 -13.617 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.519 12.365 -11.595 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.531 12.923 -12.882 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.896 10.781 -11.518 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.270 11.870 -10.295 1.00 0.00 H new ATOM 1351 N GLN A 90 2.381 11.180 -13.547 1.00 0.00 N ATOM 1352 CA GLN A 90 3.535 11.476 -14.379 1.00 0.00 C ATOM 1353 C GLN A 90 3.928 10.245 -15.199 1.00 0.00 C ATOM 1354 O GLN A 90 4.917 10.272 -15.930 1.00 0.00 O ATOM 1355 CB GLN A 90 4.710 11.968 -13.531 1.00 0.00 C ATOM 1356 CG GLN A 90 4.383 13.305 -12.863 1.00 0.00 C ATOM 1357 CD GLN A 90 4.214 14.412 -13.906 1.00 0.00 C ATOM 1358 OE1 GLN A 90 5.095 14.690 -14.702 1.00 0.00 O ATOM 1359 NE2 GLN A 90 3.034 15.025 -13.858 1.00 0.00 N ATOM 0 H GLN A 90 2.599 10.979 -12.571 1.00 0.00 H new ATOM 0 HA GLN A 90 3.266 12.277 -15.068 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.949 11.226 -12.769 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.595 12.078 -14.158 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.468 13.209 -12.278 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.179 13.573 -12.169 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.340 14.743 -13.166 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.823 15.777 -14.514 1.00 0.00 H new ATOM 1368 N ASP A 91 3.134 9.196 -15.049 1.00 0.00 N ATOM 1369 CA ASP A 91 3.386 7.958 -15.766 1.00 0.00 C ATOM 1370 C ASP A 91 4.762 7.416 -15.372 1.00 0.00 C ATOM 1371 O ASP A 91 5.325 6.574 -16.070 1.00 0.00 O ATOM 1372 CB ASP A 91 3.384 8.187 -17.279 1.00 0.00 C ATOM 1373 CG ASP A 91 2.012 8.082 -17.947 1.00 0.00 C ATOM 1374 OD1 ASP A 91 1.144 7.402 -17.357 1.00 0.00 O ATOM 1375 OD2 ASP A 91 1.862 8.683 -19.033 1.00 0.00 O ATOM 0 H ASP A 91 2.315 9.178 -14.441 1.00 0.00 H new ATOM 0 HA ASP A 91 2.597 7.252 -15.507 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.796 9.176 -17.482 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.053 7.462 -17.742 1.00 0.00 H new ATOM 1380 N THR A 92 5.264 7.922 -14.255 1.00 0.00 N ATOM 1381 CA THR A 92 6.563 7.499 -13.760 1.00 0.00 C ATOM 1382 C THR A 92 6.397 6.557 -12.566 1.00 0.00 C ATOM 1383 O THR A 92 7.235 6.537 -11.665 1.00 0.00 O ATOM 1384 CB THR A 92 7.376 8.754 -13.435 1.00 0.00 C ATOM 1385 OG1 THR A 92 6.484 9.556 -12.665 1.00 0.00 O ATOM 1386 CG2 THR A 92 7.663 9.602 -14.675 1.00 0.00 C ATOM 0 H THR A 92 4.795 8.621 -13.679 1.00 0.00 H new ATOM 0 HA THR A 92 7.107 6.927 -14.512 1.00 0.00 H new ATOM 0 HB THR A 92 8.317 8.466 -12.966 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.931 10.390 -12.410 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.242 10.480 -14.389 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.229 9.012 -15.396 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.722 9.919 -15.125 1.00 0.00 H new ATOM 1394 N LEU A 93 5.311 5.799 -12.597 1.00 0.00 N ATOM 1395 CA LEU A 93 5.026 4.856 -11.529 1.00 0.00 C ATOM 1396 C LEU A 93 6.134 3.803 -11.473 1.00 0.00 C ATOM 1397 O LEU A 93 6.346 3.174 -10.438 1.00 0.00 O ATOM 1398 CB LEU A 93 3.624 4.265 -11.696 1.00 0.00 C ATOM 1399 CG LEU A 93 3.141 3.355 -10.565 1.00 0.00 C ATOM 1400 CD1 LEU A 93 3.354 4.014 -9.201 1.00 0.00 C ATOM 1401 CD2 LEU A 93 1.684 2.940 -10.780 1.00 0.00 C ATOM 0 H LEU A 93 4.618 5.819 -13.345 1.00 0.00 H new ATOM 0 HA LEU A 93 5.021 5.364 -10.565 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.915 5.086 -11.803 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.598 3.699 -12.627 1.00 0.00 H new ATOM 0 HG LEU A 93 3.741 2.445 -10.579 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.002 3.346 -8.415 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.415 4.217 -9.057 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.797 4.950 -9.158 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.365 2.294 -9.962 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.053 3.828 -10.807 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.594 2.402 -11.724 1.00 0.00 H new ATOM 1413 N GLN A 94 6.812 3.644 -12.601 1.00 0.00 N ATOM 1414 CA GLN A 94 7.893 2.678 -12.693 1.00 0.00 C ATOM 1415 C GLN A 94 9.152 3.223 -12.015 1.00 0.00 C ATOM 1416 O GLN A 94 9.937 2.462 -11.452 1.00 0.00 O ATOM 1417 CB GLN A 94 8.173 2.307 -14.151 1.00 0.00 C ATOM 1418 CG GLN A 94 7.181 1.254 -14.649 1.00 0.00 C ATOM 1419 CD GLN A 94 6.588 1.655 -16.001 1.00 0.00 C ATOM 1420 OE1 GLN A 94 7.279 2.098 -16.904 1.00 0.00 O ATOM 1421 NE2 GLN A 94 5.274 1.475 -16.090 1.00 0.00 N ATOM 0 H GLN A 94 6.633 4.168 -13.458 1.00 0.00 H new ATOM 0 HA GLN A 94 7.588 1.770 -12.173 1.00 0.00 H new ATOM 0 HB2 GLN A 94 8.107 3.198 -14.776 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.190 1.926 -14.244 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.683 0.291 -14.739 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.381 1.129 -13.919 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.756 1.100 -15.296 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.784 1.712 -16.953 1.00 0.00 H new ATOM 1430 N GLU A 95 9.304 4.537 -12.091 1.00 0.00 N ATOM 1431 CA GLU A 95 10.454 5.193 -11.491 1.00 0.00 C ATOM 1432 C GLU A 95 10.308 5.232 -9.969 1.00 0.00 C ATOM 1433 O GLU A 95 11.191 4.773 -9.245 1.00 0.00 O ATOM 1434 CB GLU A 95 10.640 6.601 -12.060 1.00 0.00 C ATOM 1435 CG GLU A 95 12.104 7.039 -11.971 1.00 0.00 C ATOM 1436 CD GLU A 95 12.507 7.310 -10.519 1.00 0.00 C ATOM 1437 OE1 GLU A 95 11.838 8.160 -9.894 1.00 0.00 O ATOM 1438 OE2 GLU A 95 13.475 6.659 -10.069 1.00 0.00 O ATOM 0 H GLU A 95 8.650 5.165 -12.559 1.00 0.00 H new ATOM 0 HA GLU A 95 11.346 4.617 -11.736 1.00 0.00 H new ATOM 0 HB2 GLU A 95 10.312 6.623 -13.099 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.012 7.304 -11.513 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.745 6.265 -12.392 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.256 7.938 -12.568 1.00 0.00 H new ATOM 1445 N PHE A 96 9.188 5.785 -9.527 1.00 0.00 N ATOM 1446 CA PHE A 96 8.916 5.889 -8.104 1.00 0.00 C ATOM 1447 C PHE A 96 9.250 4.581 -7.384 1.00 0.00 C ATOM 1448 O PHE A 96 9.892 4.593 -6.335 1.00 0.00 O ATOM 1449 CB PHE A 96 7.420 6.172 -7.954 1.00 0.00 C ATOM 1450 CG PHE A 96 6.915 6.104 -6.512 1.00 0.00 C ATOM 1451 CD1 PHE A 96 7.415 6.954 -5.575 1.00 0.00 C ATOM 1452 CD2 PHE A 96 5.966 5.193 -6.165 1.00 0.00 C ATOM 1453 CE1 PHE A 96 6.946 6.891 -4.236 1.00 0.00 C ATOM 1454 CE2 PHE A 96 5.497 5.130 -4.826 1.00 0.00 C ATOM 1455 CZ PHE A 96 5.997 5.981 -3.890 1.00 0.00 C ATOM 0 H PHE A 96 8.458 6.166 -10.130 1.00 0.00 H new ATOM 0 HA PHE A 96 9.526 6.679 -7.666 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.206 7.162 -8.357 1.00 0.00 H new ATOM 0 HB3 PHE A 96 6.863 5.455 -8.557 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.169 7.677 -5.849 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.569 4.517 -6.908 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.343 7.566 -3.492 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.744 4.407 -4.551 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.640 5.934 -2.872 1.00 0.00 H new ATOM 1465 N LEU A 97 8.801 3.485 -7.976 1.00 0.00 N ATOM 1466 CA LEU A 97 9.044 2.172 -7.405 1.00 0.00 C ATOM 1467 C LEU A 97 10.453 1.710 -7.781 1.00 0.00 C ATOM 1468 O LEU A 97 11.176 2.417 -8.482 1.00 0.00 O ATOM 1469 CB LEU A 97 7.945 1.193 -7.822 1.00 0.00 C ATOM 1470 CG LEU A 97 6.511 1.725 -7.750 1.00 0.00 C ATOM 1471 CD1 LEU A 97 5.570 0.880 -8.611 1.00 0.00 C ATOM 1472 CD2 LEU A 97 6.033 1.818 -6.300 1.00 0.00 C ATOM 0 H LEU A 97 8.270 3.479 -8.847 1.00 0.00 H new ATOM 0 HA LEU A 97 9.002 2.217 -6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.141 0.871 -8.845 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.015 0.308 -7.190 1.00 0.00 H new ATOM 0 HG LEU A 97 6.500 2.736 -8.158 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.558 1.279 -8.543 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.902 0.909 -9.649 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.579 -0.150 -8.256 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.012 2.199 -6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.062 0.829 -5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.684 2.493 -5.745 1.00 0.00 H new ATOM 1484 N LYS A 98 10.802 0.526 -7.299 1.00 0.00 N ATOM 1485 CA LYS A 98 12.112 -0.038 -7.576 1.00 0.00 C ATOM 1486 C LYS A 98 12.018 -0.962 -8.792 1.00 0.00 C ATOM 1487 O LYS A 98 12.530 -2.080 -8.769 1.00 0.00 O ATOM 1488 CB LYS A 98 12.676 -0.721 -6.328 1.00 0.00 C ATOM 1489 CG LYS A 98 14.129 -0.306 -6.086 1.00 0.00 C ATOM 1490 CD LYS A 98 14.205 1.091 -5.469 1.00 0.00 C ATOM 1491 CE LYS A 98 15.639 1.624 -5.491 1.00 0.00 C ATOM 1492 NZ LYS A 98 15.922 2.296 -6.779 1.00 0.00 N ATOM 0 H LYS A 98 10.200 -0.058 -6.718 1.00 0.00 H new ATOM 0 HA LYS A 98 12.821 0.751 -7.828 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.070 -0.460 -5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.617 -1.803 -6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.611 -1.026 -5.425 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.677 -0.322 -7.028 1.00 0.00 H new ATOM 0 HD2 LYS A 98 13.552 1.770 -6.017 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.841 1.059 -4.442 1.00 0.00 H new ATOM 0 HE2 LYS A 98 15.786 2.324 -4.669 1.00 0.00 H new ATOM 0 HE3 LYS A 98 16.341 0.804 -5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 16.899 2.652 -6.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 15.802 1.618 -7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 15.264 3.091 -6.908 1.00 0.00 H new ATOM 1506 N LEU A 99 11.359 -0.460 -9.827 1.00 0.00 N ATOM 1507 CA LEU A 99 11.191 -1.226 -11.050 1.00 0.00 C ATOM 1508 C LEU A 99 12.252 -0.796 -12.065 1.00 0.00 C ATOM 1509 O LEU A 99 12.933 -1.636 -12.651 1.00 0.00 O ATOM 1510 CB LEU A 99 9.757 -1.101 -11.568 1.00 0.00 C ATOM 1511 CG LEU A 99 8.652 -1.498 -10.587 1.00 0.00 C ATOM 1512 CD1 LEU A 99 7.268 -1.270 -11.198 1.00 0.00 C ATOM 1513 CD2 LEU A 99 8.837 -2.940 -10.109 1.00 0.00 C ATOM 0 H LEU A 99 10.935 0.468 -9.843 1.00 0.00 H new ATOM 0 HA LEU A 99 11.344 -2.288 -10.859 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.591 -0.068 -11.873 1.00 0.00 H new ATOM 0 HB3 LEU A 99 9.660 -1.717 -12.462 1.00 0.00 H new ATOM 0 HG LEU A 99 8.726 -0.855 -9.710 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.501 -1.560 -10.480 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.150 -0.216 -11.449 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.165 -1.871 -12.101 1.00 0.00 H new ATOM 0 HD21 LEU A 99 8.039 -3.198 -9.413 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.804 -3.614 -10.965 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.800 -3.037 -9.608 1.00 0.00 H new ATOM 1525 N ALA A 100 12.358 0.513 -12.243 1.00 0.00 N ATOM 1526 CA ALA A 100 13.324 1.065 -13.178 1.00 0.00 C ATOM 1527 C ALA A 100 14.084 2.209 -12.504 1.00 0.00 C ATOM 1528 O ALA A 100 15.299 2.325 -12.652 1.00 0.00 O ATOM 1529 CB ALA A 100 12.604 1.514 -14.451 1.00 0.00 C ATOM 0 H ALA A 100 11.791 1.207 -11.756 1.00 0.00 H new ATOM 0 HA ALA A 100 14.054 0.309 -13.466 1.00 0.00 H new ATOM 0 HB1 ALA A 100 13.329 1.928 -15.152 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.105 0.659 -14.907 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.865 2.275 -14.202 1.00 0.00 H new TER 1535 ALA A 100