USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 954 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 114 HIS : no HD1:sc= -0.197 X(o=-0.39,f=0) USER MOD Set 1.2: A 115 HIS : no HD1:sc= -0.193 X(o=-0.39,f=0) USER MOD Set 2.1: A 16 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -156:sc= 0 (180deg=-0.691) USER MOD Single : A 1 MET N :NH3+ 137:sc= 1.4 (180deg=0.768) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.373 K(o=-0.37,f=-3!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -170:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0778 X(o=-0.078,f=-0.093) USER MOD Single : A 26 LYS NZ :NH3+ -169:sc= -0.0188 (180deg=-0.175) USER MOD Single : A 27 HIS : no HD1:sc= -3.04! K(o=-3!,f=-0.96) USER MOD Single : A 29 ASN : amide:sc= -0.141 K(o=-0.14,f=-3.6!) USER MOD Single : A 33 SER OG : rot 71:sc= 1.24 USER MOD Single : A 37 LYS NZ :NH3+ -133:sc= 0.403 (180deg=-1.94!) USER MOD Single : A 40 LYS NZ :NH3+ 140:sc= 0.486 (180deg=-0.24) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -3.99! K(o=-4!,f=-0.21) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 155:sc=-0.00741 (180deg=-0.135) USER MOD Single : A 65 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00463) USER MOD Single : A 70 SER OG : rot 180:sc= 0.048 USER MOD Single : A 73 ASN : amide:sc= -0.041 X(o=-0.041,f=0) USER MOD Single : A 75 THR OG1 : rot 73:sc= 1.23 USER MOD Single : A 80 LYS NZ :NH3+ -177:sc= 2.07 (180deg=1.97) USER MOD Single : A 82 MET CE :methyl 134:sc= -1.08 (180deg=-2.65) USER MOD Single : A 84 ASN : amide:sc=-0.00637 X(o=-0.0064,f=0) USER MOD Single : A 85 TYR OH : rot -116:sc= 0.657 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= 1.06 K(o=1.1,f=-3.2!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -3.09! K(o=-3.1!,f=-0.45) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 HIS : no HD1:sc= -0.0728 X(o=-0.073,f=-0.2) USER MOD Single : A 113 HIS : no HD1:sc= -0.753 K(o=-0.75,f=0.012) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.549 -9.690 15.926 1.00 0.00 N ATOM 2 CA MET A 1 -3.804 -9.972 14.678 1.00 52.33 C ATOM 3 C MET A 1 -4.225 -11.323 14.113 1.00 62.12 C ATOM 4 O MET A 1 -5.042 -12.027 14.711 1.00 51.01 O ATOM 5 CB MET A 1 -2.288 -9.958 14.927 1.00 73.31 C ATOM 6 CG MET A 1 -1.729 -8.595 15.319 1.00 1.25 C ATOM 7 SD MET A 1 -2.297 -8.035 16.937 1.00 73.51 S ATOM 8 CE MET A 1 -1.435 -6.468 17.068 1.00 33.43 C ATOM 0 H1 MET A 1 -3.900 -9.296 16.636 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.306 -9.005 15.731 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.965 -10.572 16.289 1.00 0.00 H new ATOM 0 HA MET A 1 -4.040 -9.190 13.956 1.00 52.33 H new ATOM 0 HB2 MET A 1 -2.055 -10.674 15.715 1.00 73.31 H new ATOM 0 HB3 MET A 1 -1.780 -10.300 14.025 1.00 73.31 H new ATOM 0 HG2 MET A 1 -0.640 -8.642 15.319 1.00 1.25 H new ATOM 0 HG3 MET A 1 -2.016 -7.861 14.566 1.00 1.25 H new ATOM 0 HE1 MET A 1 -1.322 -6.202 18.119 1.00 33.43 H new ATOM 0 HE2 MET A 1 -0.451 -6.555 16.608 1.00 33.43 H new ATOM 0 HE3 MET A 1 -2.007 -5.694 16.557 1.00 33.43 H new ATOM 20 N ALA A 2 -3.675 -11.685 12.962 1.00 13.14 N ATOM 21 CA ALA A 2 -3.962 -12.976 12.362 1.00 1.21 C ATOM 22 C ALA A 2 -3.104 -14.057 13.001 1.00 51.24 C ATOM 23 O ALA A 2 -1.885 -14.077 12.812 1.00 63.22 O ATOM 24 CB ALA A 2 -3.734 -12.931 10.863 1.00 35.33 C ATOM 0 H ALA A 2 -3.030 -11.103 12.428 1.00 13.14 H new ATOM 0 HA ALA A 2 -5.010 -13.215 12.540 1.00 1.21 H new ATOM 0 HB1 ALA A 2 -3.954 -13.908 10.432 1.00 35.33 H new ATOM 0 HB2 ALA A 2 -4.389 -12.182 10.418 1.00 35.33 H new ATOM 0 HB3 ALA A 2 -2.695 -12.671 10.661 1.00 35.33 H new ATOM 30 N GLU A 3 -3.754 -14.934 13.768 1.00 44.41 N ATOM 31 CA GLU A 3 -3.084 -16.015 14.495 1.00 53.41 C ATOM 32 C GLU A 3 -2.158 -15.462 15.580 1.00 24.10 C ATOM 33 O GLU A 3 -2.508 -15.444 16.761 1.00 71.11 O ATOM 34 CB GLU A 3 -2.296 -16.926 13.546 1.00 14.55 C ATOM 35 CG GLU A 3 -3.154 -17.620 12.500 1.00 53.51 C ATOM 36 CD GLU A 3 -2.353 -18.572 11.635 1.00 2.00 C ATOM 37 OE1 GLU A 3 -2.034 -19.682 12.110 1.00 71.23 O ATOM 38 OE2 GLU A 3 -2.029 -18.215 10.485 1.00 3.44 O ATOM 0 H GLU A 3 -4.765 -14.915 13.903 1.00 44.41 H new ATOM 0 HA GLU A 3 -3.863 -16.610 14.973 1.00 53.41 H new ATOM 0 HB2 GLU A 3 -1.533 -16.334 13.041 1.00 14.55 H new ATOM 0 HB3 GLU A 3 -1.775 -17.682 14.134 1.00 14.55 H new ATOM 0 HG2 GLU A 3 -3.954 -18.170 12.996 1.00 53.51 H new ATOM 0 HG3 GLU A 3 -3.628 -16.870 11.867 1.00 53.51 H new ATOM 45 N LYS A 4 -0.991 -14.991 15.167 1.00 2.20 N ATOM 46 CA LYS A 4 0.014 -14.490 16.095 1.00 14.14 C ATOM 47 C LYS A 4 0.956 -13.519 15.387 1.00 0.53 C ATOM 48 O LYS A 4 1.046 -12.350 15.754 1.00 14.21 O ATOM 49 CB LYS A 4 0.798 -15.659 16.713 1.00 42.32 C ATOM 50 CG LYS A 4 1.262 -16.695 15.700 1.00 40.44 C ATOM 51 CD LYS A 4 2.007 -17.843 16.360 1.00 65.14 C ATOM 52 CE LYS A 4 2.379 -18.914 15.346 1.00 14.25 C ATOM 53 NZ LYS A 4 3.072 -20.068 15.976 1.00 35.14 N ATOM 0 H LYS A 4 -0.714 -14.945 14.186 1.00 2.20 H new ATOM 0 HA LYS A 4 -0.489 -13.951 16.898 1.00 14.14 H new ATOM 0 HB2 LYS A 4 1.668 -15.263 17.237 1.00 42.32 H new ATOM 0 HB3 LYS A 4 0.172 -16.149 17.459 1.00 42.32 H new ATOM 0 HG2 LYS A 4 0.399 -17.086 15.160 1.00 40.44 H new ATOM 0 HG3 LYS A 4 1.910 -16.218 14.964 1.00 40.44 H new ATOM 0 HD2 LYS A 4 2.909 -17.465 16.841 1.00 65.14 H new ATOM 0 HD3 LYS A 4 1.387 -18.280 17.143 1.00 65.14 H new ATOM 0 HE2 LYS A 4 1.478 -19.264 14.843 1.00 14.25 H new ATOM 0 HE3 LYS A 4 3.023 -18.480 14.581 1.00 14.25 H new ATOM 0 HZ1 LYS A 4 3.306 -20.772 15.247 1.00 35.14 H new ATOM 0 HZ2 LYS A 4 3.946 -19.740 16.434 1.00 35.14 H new ATOM 0 HZ3 LYS A 4 2.449 -20.500 16.688 1.00 35.14 H new ATOM 67 N ASN A 5 1.632 -14.006 14.356 1.00 54.33 N ATOM 68 CA ASN A 5 2.579 -13.207 13.596 1.00 61.42 C ATOM 69 C ASN A 5 2.786 -13.827 12.222 1.00 20.10 C ATOM 70 O ASN A 5 2.150 -14.835 11.899 1.00 2.35 O ATOM 71 CB ASN A 5 3.923 -13.082 14.336 1.00 20.43 C ATOM 72 CG ASN A 5 4.536 -14.425 14.716 1.00 35.44 C ATOM 73 OD1 ASN A 5 4.324 -15.442 14.056 1.00 54.15 O ATOM 74 ND2 ASN A 5 5.318 -14.427 15.784 1.00 44.13 N ATOM 0 H ASN A 5 1.538 -14.966 14.024 1.00 54.33 H new ATOM 0 HA ASN A 5 2.169 -12.204 13.481 1.00 61.42 H new ATOM 0 HB2 ASN A 5 4.626 -12.536 13.707 1.00 20.43 H new ATOM 0 HB3 ASN A 5 3.777 -12.490 15.239 1.00 20.43 H new ATOM 0 HD21 ASN A 5 5.768 -15.291 16.085 1.00 44.13 H new ATOM 0 HD22 ASN A 5 5.470 -13.564 16.306 1.00 44.13 H new ATOM 81 N ALA A 6 3.665 -13.220 11.421 1.00 14.52 N ATOM 82 CA ALA A 6 3.969 -13.706 10.072 1.00 75.42 C ATOM 83 C ALA A 6 2.723 -13.690 9.191 1.00 52.45 C ATOM 84 O ALA A 6 2.583 -14.497 8.272 1.00 71.43 O ATOM 85 CB ALA A 6 4.571 -15.104 10.131 1.00 22.24 C ATOM 0 H ALA A 6 4.184 -12.383 11.687 1.00 14.52 H new ATOM 0 HA ALA A 6 4.703 -13.034 9.626 1.00 75.42 H new ATOM 0 HB1 ALA A 6 4.790 -15.449 9.120 1.00 22.24 H new ATOM 0 HB2 ALA A 6 5.492 -15.079 10.714 1.00 22.24 H new ATOM 0 HB3 ALA A 6 3.862 -15.786 10.601 1.00 22.24 H new ATOM 91 N TYR A 7 1.828 -12.747 9.469 1.00 22.40 N ATOM 92 CA TYR A 7 0.588 -12.620 8.717 1.00 40.23 C ATOM 93 C TYR A 7 0.833 -11.987 7.351 1.00 1.35 C ATOM 94 O TYR A 7 1.939 -11.542 7.046 1.00 14.12 O ATOM 95 CB TYR A 7 -0.456 -11.820 9.511 1.00 11.20 C ATOM 96 CG TYR A 7 0.106 -10.655 10.299 1.00 64.15 C ATOM 97 CD1 TYR A 7 0.304 -9.413 9.708 1.00 1.13 C ATOM 98 CD2 TYR A 7 0.429 -10.801 11.642 1.00 71.21 C ATOM 99 CE1 TYR A 7 0.810 -8.351 10.436 1.00 2.00 C ATOM 100 CE2 TYR A 7 0.934 -9.746 12.374 1.00 23.21 C ATOM 101 CZ TYR A 7 1.123 -8.523 11.767 1.00 24.40 C ATOM 102 OH TYR A 7 1.628 -7.473 12.495 1.00 11.30 O ATOM 0 H TYR A 7 1.941 -12.058 10.213 1.00 22.40 H new ATOM 0 HA TYR A 7 0.194 -13.623 8.554 1.00 40.23 H new ATOM 0 HB2 TYR A 7 -1.209 -11.443 8.819 1.00 11.20 H new ATOM 0 HB3 TYR A 7 -0.965 -12.495 10.199 1.00 11.20 H new ATOM 0 HD1 TYR A 7 0.059 -9.275 8.665 1.00 1.13 H new ATOM 0 HD2 TYR A 7 0.282 -11.757 12.122 1.00 71.21 H new ATOM 0 HE1 TYR A 7 0.959 -7.391 9.963 1.00 2.00 H new ATOM 0 HE2 TYR A 7 1.180 -9.878 13.417 1.00 23.21 H new ATOM 0 HH TYR A 7 1.793 -7.763 13.416 1.00 11.30 H new ATOM 112 N THR A 8 -0.208 -11.950 6.536 1.00 44.05 N ATOM 113 CA THR A 8 -0.091 -11.489 5.166 1.00 2.13 C ATOM 114 C THR A 8 -0.223 -9.969 5.077 1.00 52.32 C ATOM 115 O THR A 8 -0.646 -9.319 6.036 1.00 4.01 O ATOM 116 CB THR A 8 -1.166 -12.148 4.287 1.00 64.25 C ATOM 117 OG1 THR A 8 -2.465 -11.884 4.833 1.00 62.11 O ATOM 118 CG2 THR A 8 -0.939 -13.650 4.198 1.00 52.01 C ATOM 0 H THR A 8 -1.150 -12.236 6.804 1.00 44.05 H new ATOM 0 HA THR A 8 0.898 -11.772 4.807 1.00 2.13 H new ATOM 0 HB THR A 8 -1.101 -11.728 3.283 1.00 64.25 H new ATOM 0 HG1 THR A 8 -3.133 -12.431 4.368 1.00 62.11 H new ATOM 0 HG21 THR A 8 -1.710 -14.098 3.572 1.00 52.01 H new ATOM 0 HG22 THR A 8 0.041 -13.845 3.762 1.00 52.01 H new ATOM 0 HG23 THR A 8 -0.985 -14.085 5.197 1.00 52.01 H new ATOM 126 N VAL A 9 0.136 -9.410 3.919 1.00 2.35 N ATOM 127 CA VAL A 9 0.043 -7.968 3.695 1.00 12.30 C ATOM 128 C VAL A 9 -1.401 -7.480 3.806 1.00 33.22 C ATOM 129 O VAL A 9 -1.647 -6.319 4.133 1.00 71.54 O ATOM 130 CB VAL A 9 0.623 -7.553 2.322 1.00 65.21 C ATOM 131 CG1 VAL A 9 2.122 -7.798 2.282 1.00 20.43 C ATOM 132 CG2 VAL A 9 -0.066 -8.296 1.186 1.00 51.23 C ATOM 0 H VAL A 9 0.494 -9.936 3.122 1.00 2.35 H new ATOM 0 HA VAL A 9 0.641 -7.498 4.476 1.00 12.30 H new ATOM 0 HB VAL A 9 0.438 -6.487 2.189 1.00 65.21 H new ATOM 0 HG11 VAL A 9 2.513 -7.501 1.309 1.00 20.43 H new ATOM 0 HG12 VAL A 9 2.607 -7.212 3.063 1.00 20.43 H new ATOM 0 HG13 VAL A 9 2.322 -8.857 2.445 1.00 20.43 H new ATOM 0 HG21 VAL A 9 0.363 -7.983 0.234 1.00 51.23 H new ATOM 0 HG22 VAL A 9 0.077 -9.369 1.314 1.00 51.23 H new ATOM 0 HG23 VAL A 9 -1.132 -8.068 1.196 1.00 51.23 H new ATOM 142 N ALA A 10 -2.352 -8.372 3.541 1.00 22.32 N ATOM 143 CA ALA A 10 -3.765 -8.056 3.711 1.00 32.33 C ATOM 144 C ALA A 10 -4.055 -7.673 5.157 1.00 52.44 C ATOM 145 O ALA A 10 -4.721 -6.670 5.427 1.00 14.12 O ATOM 146 CB ALA A 10 -4.630 -9.234 3.291 1.00 24.24 C ATOM 0 H ALA A 10 -2.169 -9.318 3.208 1.00 22.32 H new ATOM 0 HA ALA A 10 -4.006 -7.206 3.072 1.00 32.33 H new ATOM 0 HB1 ALA A 10 -5.681 -8.979 3.425 1.00 24.24 H new ATOM 0 HB2 ALA A 10 -4.444 -9.467 2.243 1.00 24.24 H new ATOM 0 HB3 ALA A 10 -4.386 -10.102 3.904 1.00 24.24 H new ATOM 152 N GLN A 11 -3.521 -8.464 6.078 1.00 13.13 N ATOM 153 CA GLN A 11 -3.716 -8.233 7.502 1.00 55.45 C ATOM 154 C GLN A 11 -2.749 -7.175 8.022 1.00 34.41 C ATOM 155 O GLN A 11 -3.056 -6.466 8.976 1.00 33.25 O ATOM 156 CB GLN A 11 -3.555 -9.542 8.280 1.00 13.20 C ATOM 157 CG GLN A 11 -4.851 -10.327 8.447 1.00 0.40 C ATOM 158 CD GLN A 11 -5.615 -10.526 7.148 1.00 13.44 C ATOM 159 OE1 GLN A 11 -6.464 -9.711 6.784 1.00 41.25 O ATOM 160 NE2 GLN A 11 -5.328 -11.611 6.449 1.00 74.24 N ATOM 0 H GLN A 11 -2.945 -9.277 5.861 1.00 13.13 H new ATOM 0 HA GLN A 11 -4.730 -7.862 7.652 1.00 55.45 H new ATOM 0 HB2 GLN A 11 -2.825 -10.170 7.768 1.00 13.20 H new ATOM 0 HB3 GLN A 11 -3.148 -9.319 9.266 1.00 13.20 H new ATOM 0 HG2 GLN A 11 -4.622 -11.302 8.877 1.00 0.40 H new ATOM 0 HG3 GLN A 11 -5.492 -9.807 9.159 1.00 0.40 H new ATOM 0 HE21 GLN A 11 -4.618 -12.261 6.785 1.00 74.24 H new ATOM 0 HE22 GLN A 11 -5.817 -11.798 5.573 1.00 74.24 H new ATOM 169 N LEU A 12 -1.585 -7.065 7.390 1.00 4.11 N ATOM 170 CA LEU A 12 -0.618 -6.027 7.741 1.00 54.11 C ATOM 171 C LEU A 12 -1.214 -4.644 7.495 1.00 61.14 C ATOM 172 O LEU A 12 -1.040 -3.723 8.295 1.00 63.43 O ATOM 173 CB LEU A 12 0.669 -6.182 6.926 1.00 60.23 C ATOM 174 CG LEU A 12 1.730 -5.111 7.191 1.00 22.21 C ATOM 175 CD1 LEU A 12 2.308 -5.262 8.590 1.00 2.42 C ATOM 176 CD2 LEU A 12 2.827 -5.171 6.143 1.00 42.52 C ATOM 0 H LEU A 12 -1.287 -7.680 6.633 1.00 4.11 H new ATOM 0 HA LEU A 12 -0.378 -6.134 8.799 1.00 54.11 H new ATOM 0 HB2 LEU A 12 1.100 -7.161 7.137 1.00 60.23 H new ATOM 0 HB3 LEU A 12 0.415 -6.167 5.866 1.00 60.23 H new ATOM 0 HG LEU A 12 1.253 -4.133 7.125 1.00 22.21 H new ATOM 0 HD11 LEU A 12 3.060 -4.491 8.758 1.00 2.42 H new ATOM 0 HD12 LEU A 12 1.511 -5.158 9.326 1.00 2.42 H new ATOM 0 HD13 LEU A 12 2.768 -6.245 8.690 1.00 2.42 H new ATOM 0 HD21 LEU A 12 3.571 -4.401 6.350 1.00 42.52 H new ATOM 0 HD22 LEU A 12 3.302 -6.151 6.170 1.00 42.52 H new ATOM 0 HD23 LEU A 12 2.397 -5.003 5.156 1.00 42.52 H new ATOM 188 N ALA A 13 -1.923 -4.511 6.382 1.00 14.30 N ATOM 189 CA ALA A 13 -2.585 -3.262 6.041 1.00 1.20 C ATOM 190 C ALA A 13 -3.679 -2.940 7.050 1.00 62.45 C ATOM 191 O ALA A 13 -3.888 -1.782 7.403 1.00 63.23 O ATOM 192 CB ALA A 13 -3.154 -3.334 4.634 1.00 0.00 C ATOM 0 H ALA A 13 -2.054 -5.257 5.698 1.00 14.30 H new ATOM 0 HA ALA A 13 -1.848 -2.459 6.074 1.00 1.20 H new ATOM 0 HB1 ALA A 13 -3.647 -2.392 4.392 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.347 -3.514 3.924 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.877 -4.147 4.575 1.00 0.00 H new ATOM 198 N ASP A 14 -4.365 -3.977 7.523 1.00 32.45 N ATOM 199 CA ASP A 14 -5.403 -3.815 8.541 1.00 44.54 C ATOM 200 C ASP A 14 -4.773 -3.430 9.873 1.00 64.24 C ATOM 201 O ASP A 14 -5.314 -2.616 10.624 1.00 2.02 O ATOM 202 CB ASP A 14 -6.206 -5.108 8.697 1.00 4.45 C ATOM 203 CG ASP A 14 -7.313 -4.986 9.725 1.00 5.11 C ATOM 204 OD1 ASP A 14 -8.385 -4.431 9.387 1.00 63.42 O ATOM 205 OD2 ASP A 14 -7.129 -5.460 10.869 1.00 63.12 O ATOM 0 H ASP A 14 -4.222 -4.940 7.218 1.00 32.45 H new ATOM 0 HA ASP A 14 -6.079 -3.021 8.224 1.00 44.54 H new ATOM 0 HB2 ASP A 14 -6.638 -5.382 7.734 1.00 4.45 H new ATOM 0 HB3 ASP A 14 -5.534 -5.916 8.986 1.00 4.45 H new ATOM 210 N GLU A 15 -3.620 -4.024 10.149 1.00 64.12 N ATOM 211 CA GLU A 15 -2.837 -3.698 11.332 1.00 4.32 C ATOM 212 C GLU A 15 -2.506 -2.208 11.351 1.00 31.55 C ATOM 213 O GLU A 15 -2.799 -1.505 12.317 1.00 20.33 O ATOM 214 CB GLU A 15 -1.552 -4.536 11.338 1.00 20.10 C ATOM 215 CG GLU A 15 -0.624 -4.253 12.505 1.00 51.02 C ATOM 216 CD GLU A 15 -1.286 -4.467 13.846 1.00 11.35 C ATOM 217 OE1 GLU A 15 -2.026 -5.459 13.998 1.00 21.40 O ATOM 218 OE2 GLU A 15 -1.065 -3.641 14.757 1.00 54.32 O ATOM 0 H GLU A 15 -3.202 -4.744 9.560 1.00 64.12 H new ATOM 0 HA GLU A 15 -3.417 -3.929 12.226 1.00 4.32 H new ATOM 0 HB2 GLU A 15 -1.822 -5.592 11.352 1.00 20.10 H new ATOM 0 HB3 GLU A 15 -1.012 -4.357 10.408 1.00 20.10 H new ATOM 0 HG2 GLU A 15 0.252 -4.897 12.431 1.00 51.02 H new ATOM 0 HG3 GLU A 15 -0.270 -3.224 12.440 1.00 51.02 H new ATOM 225 N TYR A 16 -1.924 -1.728 10.261 1.00 11.34 N ATOM 226 CA TYR A 16 -1.568 -0.321 10.140 1.00 35.14 C ATOM 227 C TYR A 16 -2.826 0.551 10.155 1.00 65.13 C ATOM 228 O TYR A 16 -2.820 1.658 10.701 1.00 0.34 O ATOM 229 CB TYR A 16 -0.766 -0.090 8.855 1.00 75.35 C ATOM 230 CG TYR A 16 -0.203 1.306 8.727 1.00 3.02 C ATOM 231 CD1 TYR A 16 0.902 1.697 9.472 1.00 0.35 C ATOM 232 CD2 TYR A 16 -0.773 2.233 7.866 1.00 0.45 C ATOM 233 CE1 TYR A 16 1.423 2.973 9.361 1.00 13.23 C ATOM 234 CE2 TYR A 16 -0.257 3.508 7.749 1.00 73.22 C ATOM 235 CZ TYR A 16 0.840 3.873 8.498 1.00 74.43 C ATOM 236 OH TYR A 16 1.352 5.145 8.384 1.00 32.23 O ATOM 0 H TYR A 16 -1.688 -2.294 9.446 1.00 11.34 H new ATOM 0 HA TYR A 16 -0.948 -0.040 10.992 1.00 35.14 H new ATOM 0 HB2 TYR A 16 0.054 -0.807 8.817 1.00 75.35 H new ATOM 0 HB3 TYR A 16 -1.407 -0.293 7.997 1.00 75.35 H new ATOM 0 HD1 TYR A 16 1.362 0.993 10.149 1.00 0.35 H new ATOM 0 HD2 TYR A 16 -1.634 1.952 7.278 1.00 0.45 H new ATOM 0 HE1 TYR A 16 2.282 3.262 9.948 1.00 13.23 H new ATOM 0 HE2 TYR A 16 -0.712 4.217 7.073 1.00 73.22 H new ATOM 0 HH TYR A 16 0.825 5.652 7.732 1.00 32.23 H new ATOM 246 N PHE A 17 -3.899 0.029 9.569 1.00 21.42 N ATOM 247 CA PHE A 17 -5.179 0.730 9.513 1.00 40.13 C ATOM 248 C PHE A 17 -5.685 1.068 10.910 1.00 34.24 C ATOM 249 O PHE A 17 -5.978 2.214 11.203 1.00 4.22 O ATOM 250 CB PHE A 17 -6.214 -0.137 8.776 1.00 3.34 C ATOM 251 CG PHE A 17 -7.623 0.395 8.812 1.00 24.34 C ATOM 252 CD1 PHE A 17 -8.056 1.322 7.878 1.00 33.20 C ATOM 253 CD2 PHE A 17 -8.520 -0.043 9.776 1.00 32.41 C ATOM 254 CE1 PHE A 17 -9.351 1.803 7.905 1.00 72.25 C ATOM 255 CE2 PHE A 17 -9.815 0.436 9.807 1.00 60.25 C ATOM 256 CZ PHE A 17 -10.231 1.359 8.871 1.00 62.32 C ATOM 0 H PHE A 17 -3.907 -0.887 9.121 1.00 21.42 H new ATOM 0 HA PHE A 17 -5.033 1.665 8.972 1.00 40.13 H new ATOM 0 HB2 PHE A 17 -5.906 -0.240 7.736 1.00 3.34 H new ATOM 0 HB3 PHE A 17 -6.206 -1.136 9.211 1.00 3.34 H new ATOM 0 HD1 PHE A 17 -7.373 1.673 7.119 1.00 33.20 H new ATOM 0 HD2 PHE A 17 -8.202 -0.767 10.511 1.00 32.41 H new ATOM 0 HE1 PHE A 17 -9.674 2.526 7.171 1.00 72.25 H new ATOM 0 HE2 PHE A 17 -10.502 0.088 10.564 1.00 60.25 H new ATOM 0 HZ PHE A 17 -11.244 1.734 8.894 1.00 62.32 H new ATOM 266 N GLU A 18 -5.749 0.072 11.778 1.00 63.41 N ATOM 267 CA GLU A 18 -6.345 0.246 13.098 1.00 72.12 C ATOM 268 C GLU A 18 -5.553 1.207 13.977 1.00 11.31 C ATOM 269 O GLU A 18 -6.137 1.995 14.714 1.00 20.55 O ATOM 270 CB GLU A 18 -6.464 -1.102 13.798 1.00 43.41 C ATOM 271 CG GLU A 18 -7.577 -1.982 13.265 1.00 52.43 C ATOM 272 CD GLU A 18 -8.949 -1.448 13.610 1.00 2.10 C ATOM 273 OE1 GLU A 18 -9.132 -0.950 14.745 1.00 60.53 O ATOM 274 OE2 GLU A 18 -9.861 -1.548 12.766 1.00 0.12 O ATOM 0 H GLU A 18 -5.396 -0.867 11.595 1.00 63.41 H new ATOM 0 HA GLU A 18 -7.333 0.680 12.945 1.00 72.12 H new ATOM 0 HB2 GLU A 18 -5.517 -1.634 13.701 1.00 43.41 H new ATOM 0 HB3 GLU A 18 -6.628 -0.933 14.862 1.00 43.41 H new ATOM 0 HG2 GLU A 18 -7.484 -2.065 12.182 1.00 52.43 H new ATOM 0 HG3 GLU A 18 -7.468 -2.987 13.672 1.00 52.43 H new ATOM 281 N ARG A 19 -4.233 1.145 13.915 1.00 5.15 N ATOM 282 CA ARG A 19 -3.407 1.971 14.796 1.00 43.43 C ATOM 283 C ARG A 19 -3.422 3.428 14.358 1.00 1.22 C ATOM 284 O ARG A 19 -3.324 4.336 15.183 1.00 60.11 O ATOM 285 CB ARG A 19 -1.969 1.454 14.858 1.00 44.33 C ATOM 286 CG ARG A 19 -1.782 0.225 15.743 1.00 51.04 C ATOM 287 CD ARG A 19 -2.536 -0.978 15.209 1.00 22.14 C ATOM 288 NE ARG A 19 -3.773 -1.263 15.952 1.00 13.33 N ATOM 289 CZ ARG A 19 -4.302 -2.486 16.067 1.00 13.01 C ATOM 290 NH1 ARG A 19 -3.628 -3.548 15.647 1.00 20.15 N ATOM 291 NH2 ARG A 19 -5.497 -2.650 16.629 1.00 44.34 N ATOM 0 H ARG A 19 -3.712 0.543 13.277 1.00 5.15 H new ATOM 0 HA ARG A 19 -3.837 1.906 15.795 1.00 43.43 H new ATOM 0 HB2 ARG A 19 -1.638 1.214 13.848 1.00 44.33 H new ATOM 0 HB3 ARG A 19 -1.323 2.253 15.224 1.00 44.33 H new ATOM 0 HG2 ARG A 19 -0.721 -0.014 15.813 1.00 51.04 H new ATOM 0 HG3 ARG A 19 -2.125 0.449 16.753 1.00 51.04 H new ATOM 0 HD2 ARG A 19 -2.780 -0.809 14.160 1.00 22.14 H new ATOM 0 HD3 ARG A 19 -1.887 -1.853 15.248 1.00 22.14 H new ATOM 0 HE ARG A 19 -4.254 -0.485 16.404 1.00 13.33 H new ATOM 0 HH11 ARG A 19 -2.702 -3.434 15.234 1.00 20.15 H new ATOM 0 HH12 ARG A 19 -4.035 -4.479 15.737 1.00 20.15 H new ATOM 0 HH21 ARG A 19 -6.014 -1.841 16.974 1.00 44.34 H new ATOM 0 HH22 ARG A 19 -5.896 -3.585 16.715 1.00 44.34 H new ATOM 305 N MET A 20 -3.541 3.645 13.062 1.00 0.20 N ATOM 306 CA MET A 20 -3.592 5.006 12.521 1.00 1.44 C ATOM 307 C MET A 20 -5.027 5.522 12.430 1.00 11.42 C ATOM 308 O MET A 20 -5.270 6.727 12.488 1.00 34.51 O ATOM 309 CB MET A 20 -2.929 5.064 11.144 1.00 71.11 C ATOM 310 CG MET A 20 -1.423 4.853 11.184 1.00 43.04 C ATOM 311 SD MET A 20 -0.571 6.115 12.152 1.00 24.43 S ATOM 312 CE MET A 20 1.129 5.575 11.994 1.00 33.32 C ATOM 0 H MET A 20 -3.604 2.907 12.361 1.00 0.20 H new ATOM 0 HA MET A 20 -3.044 5.650 13.209 1.00 1.44 H new ATOM 0 HB2 MET A 20 -3.377 4.305 10.502 1.00 71.11 H new ATOM 0 HB3 MET A 20 -3.140 6.032 10.689 1.00 71.11 H new ATOM 0 HG2 MET A 20 -1.209 3.871 11.605 1.00 43.04 H new ATOM 0 HG3 MET A 20 -1.032 4.856 10.166 1.00 43.04 H new ATOM 0 HE1 MET A 20 1.780 6.257 12.541 1.00 33.32 H new ATOM 0 HE2 MET A 20 1.231 4.570 12.403 1.00 33.32 H new ATOM 0 HE3 MET A 20 1.412 5.569 10.942 1.00 33.32 H new ATOM 322 N ILE A 21 -5.965 4.602 12.297 1.00 53.42 N ATOM 323 CA ILE A 21 -7.374 4.926 12.109 1.00 45.31 C ATOM 324 C ILE A 21 -8.217 4.250 13.195 1.00 34.35 C ATOM 325 O ILE A 21 -8.823 3.198 12.977 1.00 0.13 O ATOM 326 CB ILE A 21 -7.832 4.475 10.703 1.00 51.43 C ATOM 327 CG1 ILE A 21 -6.976 5.167 9.636 1.00 15.41 C ATOM 328 CG2 ILE A 21 -9.308 4.760 10.481 1.00 3.30 C ATOM 329 CD1 ILE A 21 -7.249 4.693 8.228 1.00 64.14 C ATOM 0 H ILE A 21 -5.773 3.600 12.316 1.00 53.42 H new ATOM 0 HA ILE A 21 -7.509 6.005 12.190 1.00 45.31 H new ATOM 0 HB ILE A 21 -7.697 3.396 10.625 1.00 51.43 H new ATOM 0 HG12 ILE A 21 -7.149 6.242 9.687 1.00 15.41 H new ATOM 0 HG13 ILE A 21 -5.923 5.003 9.866 1.00 15.41 H new ATOM 0 HG21 ILE A 21 -9.596 4.430 9.483 1.00 3.30 H new ATOM 0 HG22 ILE A 21 -9.898 4.224 11.224 1.00 3.30 H new ATOM 0 HG23 ILE A 21 -9.490 5.830 10.576 1.00 3.30 H new ATOM 0 HD11 ILE A 21 -6.604 5.230 7.532 1.00 64.14 H new ATOM 0 HD12 ILE A 21 -7.048 3.624 8.158 1.00 64.14 H new ATOM 0 HD13 ILE A 21 -8.292 4.883 7.976 1.00 64.14 H new ATOM 341 N ALA A 22 -8.192 4.832 14.388 1.00 20.41 N ATOM 342 CA ALA A 22 -8.971 4.316 15.515 1.00 24.41 C ATOM 343 C ALA A 22 -9.660 5.432 16.299 1.00 11.14 C ATOM 344 O ALA A 22 -10.704 5.212 16.920 1.00 40.32 O ATOM 345 CB ALA A 22 -8.080 3.519 16.453 1.00 21.30 C ATOM 0 H ALA A 22 -7.641 5.663 14.604 1.00 20.41 H new ATOM 0 HA ALA A 22 -9.743 3.670 15.098 1.00 24.41 H new ATOM 0 HB1 ALA A 22 -8.674 3.142 17.286 1.00 21.30 H new ATOM 0 HB2 ALA A 22 -7.640 2.681 15.912 1.00 21.30 H new ATOM 0 HB3 ALA A 22 -7.286 4.162 16.835 1.00 21.30 H new ATOM 351 N GLY A 23 -9.076 6.623 16.278 1.00 74.33 N ATOM 352 CA GLY A 23 -9.607 7.723 17.060 1.00 53.32 C ATOM 353 C GLY A 23 -10.629 8.550 16.309 1.00 14.32 C ATOM 354 O GLY A 23 -11.832 8.306 16.410 1.00 40.13 O ATOM 0 H GLY A 23 -8.243 6.847 15.733 1.00 74.33 H new ATOM 0 HA2 GLY A 23 -10.065 7.328 17.967 1.00 53.32 H new ATOM 0 HA3 GLY A 23 -8.786 8.368 17.372 1.00 53.32 H new ATOM 358 N ARG A 24 -10.150 9.522 15.547 1.00 3.15 N ATOM 359 CA ARG A 24 -11.023 10.436 14.832 1.00 2.24 C ATOM 360 C ARG A 24 -10.606 10.490 13.367 1.00 11.03 C ATOM 361 O ARG A 24 -9.661 11.186 13.000 1.00 51.01 O ATOM 362 CB ARG A 24 -10.974 11.831 15.485 1.00 41.45 C ATOM 363 CG ARG A 24 -11.996 12.836 14.954 1.00 13.55 C ATOM 364 CD ARG A 24 -11.513 13.523 13.688 1.00 54.13 C ATOM 365 NE ARG A 24 -12.415 14.587 13.252 1.00 43.43 N ATOM 366 CZ ARG A 24 -12.476 15.038 11.999 1.00 74.25 C ATOM 367 NH1 ARG A 24 -11.712 14.495 11.058 1.00 41.34 N ATOM 368 NH2 ARG A 24 -13.295 16.033 11.687 1.00 71.24 N ATOM 0 H ARG A 24 -9.155 9.697 15.409 1.00 3.15 H new ATOM 0 HA ARG A 24 -12.053 10.082 14.883 1.00 2.24 H new ATOM 0 HB2 ARG A 24 -11.125 11.717 16.559 1.00 41.45 H new ATOM 0 HB3 ARG A 24 -9.975 12.245 15.345 1.00 41.45 H new ATOM 0 HG2 ARG A 24 -12.937 12.324 14.752 1.00 13.55 H new ATOM 0 HG3 ARG A 24 -12.198 13.586 15.719 1.00 13.55 H new ATOM 0 HD2 ARG A 24 -10.521 13.940 13.860 1.00 54.13 H new ATOM 0 HD3 ARG A 24 -11.415 12.785 12.892 1.00 54.13 H new ATOM 0 HE ARG A 24 -13.033 15.008 13.946 1.00 43.43 H new ATOM 0 HH11 ARG A 24 -11.078 13.732 11.294 1.00 41.34 H new ATOM 0 HH12 ARG A 24 -11.760 14.841 10.100 1.00 41.34 H new ATOM 0 HH21 ARG A 24 -13.881 16.456 12.407 1.00 71.24 H new ATOM 0 HH22 ARG A 24 -13.339 16.375 10.727 1.00 71.24 H new ATOM 382 N TRP A 25 -11.287 9.712 12.549 1.00 32.22 N ATOM 383 CA TRP A 25 -11.004 9.673 11.123 1.00 61.13 C ATOM 384 C TRP A 25 -12.250 10.052 10.325 1.00 21.32 C ATOM 385 O TRP A 25 -12.177 10.865 9.401 1.00 54.13 O ATOM 386 CB TRP A 25 -10.491 8.280 10.716 1.00 44.42 C ATOM 387 CG TRP A 25 -11.505 7.185 10.853 1.00 60.33 C ATOM 388 CD1 TRP A 25 -12.160 6.576 9.836 1.00 23.25 C ATOM 389 CD2 TRP A 25 -11.979 6.572 12.062 1.00 12.42 C ATOM 390 NE1 TRP A 25 -13.022 5.630 10.327 1.00 1.44 N ATOM 391 CE2 TRP A 25 -12.929 5.605 11.688 1.00 23.35 C ATOM 392 CE3 TRP A 25 -11.699 6.744 13.419 1.00 52.12 C ATOM 393 CZ2 TRP A 25 -13.599 4.816 12.616 1.00 33.11 C ATOM 394 CZ3 TRP A 25 -12.366 5.959 14.340 1.00 20.42 C ATOM 395 CH2 TRP A 25 -13.305 5.005 13.934 1.00 32.41 C ATOM 0 H TRP A 25 -12.043 9.095 12.846 1.00 32.22 H new ATOM 0 HA TRP A 25 -10.223 10.400 10.900 1.00 61.13 H new ATOM 0 HB2 TRP A 25 -10.153 8.319 9.681 1.00 44.42 H new ATOM 0 HB3 TRP A 25 -9.622 8.033 11.326 1.00 44.42 H new ATOM 0 HD1 TRP A 25 -12.023 6.803 8.789 1.00 23.25 H new ATOM 0 HE1 TRP A 25 -13.635 5.039 9.765 1.00 1.44 H new ATOM 0 HE3 TRP A 25 -10.975 7.477 13.743 1.00 52.12 H new ATOM 0 HZ2 TRP A 25 -14.326 4.080 12.304 1.00 33.11 H new ATOM 0 HZ3 TRP A 25 -12.159 6.084 15.392 1.00 20.42 H new ATOM 0 HH2 TRP A 25 -13.807 4.406 14.679 1.00 32.41 H new ATOM 406 N LYS A 26 -13.387 9.473 10.727 1.00 44.02 N ATOM 407 CA LYS A 26 -14.687 9.702 10.095 1.00 12.25 C ATOM 408 C LYS A 26 -14.734 9.093 8.690 1.00 34.23 C ATOM 409 O LYS A 26 -13.930 9.435 7.826 1.00 45.42 O ATOM 410 CB LYS A 26 -15.021 11.196 10.052 1.00 31.12 C ATOM 411 CG LYS A 26 -16.502 11.484 9.873 1.00 54.04 C ATOM 412 CD LYS A 26 -17.319 10.871 11.001 1.00 13.42 C ATOM 413 CE LYS A 26 -18.799 11.186 10.865 1.00 40.35 C ATOM 414 NZ LYS A 26 -19.074 12.640 10.989 1.00 44.02 N ATOM 0 H LYS A 26 -13.428 8.823 11.512 1.00 44.02 H new ATOM 0 HA LYS A 26 -15.443 9.204 10.702 1.00 12.25 H new ATOM 0 HB2 LYS A 26 -14.678 11.663 10.975 1.00 31.12 H new ATOM 0 HB3 LYS A 26 -14.468 11.660 9.235 1.00 31.12 H new ATOM 0 HG2 LYS A 26 -16.665 12.561 9.845 1.00 54.04 H new ATOM 0 HG3 LYS A 26 -16.840 11.085 8.917 1.00 54.04 H new ATOM 0 HD2 LYS A 26 -17.177 9.790 11.006 1.00 13.42 H new ATOM 0 HD3 LYS A 26 -16.955 11.245 11.958 1.00 13.42 H new ATOM 0 HE2 LYS A 26 -19.158 10.831 9.899 1.00 40.35 H new ATOM 0 HE3 LYS A 26 -19.356 10.645 11.630 1.00 40.35 H new ATOM 0 HZ1 LYS A 26 -20.099 12.793 11.077 1.00 44.02 H new ATOM 0 HZ2 LYS A 26 -18.594 13.013 11.833 1.00 44.02 H new ATOM 0 HZ3 LYS A 26 -18.722 13.133 10.144 1.00 44.02 H new ATOM 428 N HIS A 27 -15.691 8.189 8.487 1.00 31.43 N ATOM 429 CA HIS A 27 -15.860 7.468 7.217 1.00 42.01 C ATOM 430 C HIS A 27 -14.707 6.490 6.987 1.00 72.44 C ATOM 431 O HIS A 27 -13.779 6.777 6.229 1.00 52.13 O ATOM 432 CB HIS A 27 -15.973 8.423 6.015 1.00 61.53 C ATOM 433 CG HIS A 27 -17.187 9.305 6.031 1.00 63.32 C ATOM 434 ND1 HIS A 27 -18.325 9.037 5.303 1.00 14.11 N ATOM 435 CD2 HIS A 27 -17.425 10.470 6.676 1.00 73.12 C ATOM 436 CE1 HIS A 27 -19.208 9.997 5.500 1.00 2.34 C ATOM 437 NE2 HIS A 27 -18.688 10.880 6.331 1.00 2.04 N ATOM 0 H HIS A 27 -16.375 7.932 9.198 1.00 31.43 H new ATOM 0 HA HIS A 27 -16.795 6.914 7.296 1.00 42.01 H new ATOM 0 HB2 HIS A 27 -15.083 9.052 5.982 1.00 61.53 H new ATOM 0 HB3 HIS A 27 -15.980 7.833 5.098 1.00 61.53 H new ATOM 0 HD2 HIS A 27 -16.746 10.983 7.340 1.00 73.12 H new ATOM 0 HE1 HIS A 27 -20.191 10.051 5.056 1.00 2.34 H new ATOM 0 HE2 HIS A 27 -19.149 11.728 6.662 1.00 2.04 H new ATOM 446 N PRO A 28 -14.750 5.317 7.641 1.00 4.54 N ATOM 447 CA PRO A 28 -13.674 4.322 7.548 1.00 22.45 C ATOM 448 C PRO A 28 -13.592 3.676 6.166 1.00 20.12 C ATOM 449 O PRO A 28 -12.505 3.386 5.669 1.00 73.23 O ATOM 450 CB PRO A 28 -14.069 3.270 8.591 1.00 12.03 C ATOM 451 CG PRO A 28 -15.546 3.411 8.738 1.00 31.21 C ATOM 452 CD PRO A 28 -15.849 4.868 8.518 1.00 5.02 C ATOM 0 HA PRO A 28 -12.696 4.773 7.716 1.00 22.45 H new ATOM 0 HB2 PRO A 28 -13.799 2.267 8.262 1.00 12.03 H new ATOM 0 HB3 PRO A 28 -13.559 3.443 9.539 1.00 12.03 H new ATOM 0 HG2 PRO A 28 -16.071 2.790 8.012 1.00 31.21 H new ATOM 0 HG3 PRO A 28 -15.872 3.090 9.727 1.00 31.21 H new ATOM 0 HD2 PRO A 28 -16.822 5.010 8.047 1.00 5.02 H new ATOM 0 HD3 PRO A 28 -15.865 5.421 9.457 1.00 5.02 H new ATOM 460 N ASN A 29 -14.748 3.467 5.547 1.00 13.30 N ATOM 461 CA ASN A 29 -14.824 2.751 4.277 1.00 53.11 C ATOM 462 C ASN A 29 -14.158 3.542 3.154 1.00 42.34 C ATOM 463 O ASN A 29 -13.640 2.957 2.203 1.00 53.52 O ATOM 464 CB ASN A 29 -16.282 2.434 3.911 1.00 62.44 C ATOM 465 CG ASN A 29 -17.121 3.671 3.638 1.00 73.33 C ATOM 466 OD1 ASN A 29 -16.899 4.732 4.221 1.00 0.11 O ATOM 467 ND2 ASN A 29 -18.099 3.536 2.756 1.00 51.14 N ATOM 0 H ASN A 29 -15.649 3.784 5.905 1.00 13.30 H new ATOM 0 HA ASN A 29 -14.285 1.812 4.399 1.00 53.11 H new ATOM 0 HB2 ASN A 29 -16.296 1.793 3.029 1.00 62.44 H new ATOM 0 HB3 ASN A 29 -16.737 1.868 4.724 1.00 62.44 H new ATOM 0 HD21 ASN A 29 -18.702 4.329 2.538 1.00 51.14 H new ATOM 0 HD22 ASN A 29 -18.249 2.639 2.295 1.00 51.14 H new ATOM 474 N ILE A 30 -14.154 4.864 3.276 1.00 74.21 N ATOM 475 CA ILE A 30 -13.544 5.725 2.267 1.00 75.44 C ATOM 476 C ILE A 30 -12.055 5.428 2.141 1.00 45.15 C ATOM 477 O ILE A 30 -11.550 5.162 1.047 1.00 31.41 O ATOM 478 CB ILE A 30 -13.741 7.219 2.606 1.00 61.53 C ATOM 479 CG1 ILE A 30 -15.231 7.545 2.738 1.00 21.12 C ATOM 480 CG2 ILE A 30 -13.094 8.103 1.548 1.00 24.24 C ATOM 481 CD1 ILE A 30 -16.041 7.216 1.503 1.00 74.25 C ATOM 0 H ILE A 30 -14.566 5.364 4.063 1.00 74.21 H new ATOM 0 HA ILE A 30 -14.039 5.516 1.319 1.00 75.44 H new ATOM 0 HB ILE A 30 -13.255 7.420 3.561 1.00 61.53 H new ATOM 0 HG12 ILE A 30 -15.640 6.995 3.586 1.00 21.12 H new ATOM 0 HG13 ILE A 30 -15.343 8.606 2.962 1.00 21.12 H new ATOM 0 HG21 ILE A 30 -13.245 9.151 1.807 1.00 24.24 H new ATOM 0 HG22 ILE A 30 -12.026 7.891 1.501 1.00 24.24 H new ATOM 0 HG23 ILE A 30 -13.547 7.900 0.578 1.00 24.24 H new ATOM 0 HD11 ILE A 30 -17.086 7.475 1.674 1.00 74.25 H new ATOM 0 HD12 ILE A 30 -15.660 7.786 0.655 1.00 74.25 H new ATOM 0 HD13 ILE A 30 -15.962 6.150 1.289 1.00 74.25 H new ATOM 493 N VAL A 31 -11.360 5.447 3.269 1.00 65.22 N ATOM 494 CA VAL A 31 -9.930 5.184 3.282 1.00 24.10 C ATOM 495 C VAL A 31 -9.659 3.687 3.132 1.00 12.51 C ATOM 496 O VAL A 31 -8.653 3.282 2.550 1.00 11.01 O ATOM 497 CB VAL A 31 -9.264 5.726 4.571 1.00 20.33 C ATOM 498 CG1 VAL A 31 -9.814 5.039 5.811 1.00 2.53 C ATOM 499 CG2 VAL A 31 -7.749 5.578 4.503 1.00 63.32 C ATOM 0 H VAL A 31 -11.763 5.642 4.186 1.00 65.22 H new ATOM 0 HA VAL A 31 -9.490 5.708 2.434 1.00 24.10 H new ATOM 0 HB VAL A 31 -9.503 6.787 4.643 1.00 20.33 H new ATOM 0 HG11 VAL A 31 -9.325 5.443 6.698 1.00 2.53 H new ATOM 0 HG12 VAL A 31 -10.888 5.213 5.877 1.00 2.53 H new ATOM 0 HG13 VAL A 31 -9.624 3.968 5.748 1.00 2.53 H new ATOM 0 HG21 VAL A 31 -7.304 5.966 5.419 1.00 63.32 H new ATOM 0 HG22 VAL A 31 -7.491 4.525 4.392 1.00 63.32 H new ATOM 0 HG23 VAL A 31 -7.367 6.138 3.649 1.00 63.32 H new ATOM 509 N ARG A 32 -10.583 2.865 3.627 1.00 1.22 N ATOM 510 CA ARG A 32 -10.433 1.420 3.541 1.00 4.44 C ATOM 511 C ARG A 32 -10.506 0.959 2.089 1.00 2.31 C ATOM 512 O ARG A 32 -9.929 -0.068 1.728 1.00 1.44 O ATOM 513 CB ARG A 32 -11.499 0.701 4.372 1.00 51.31 C ATOM 514 CG ARG A 32 -11.220 -0.783 4.534 1.00 23.45 C ATOM 515 CD ARG A 32 -9.938 -1.009 5.320 1.00 71.22 C ATOM 516 NE ARG A 32 -9.365 -2.330 5.084 1.00 42.24 N ATOM 517 CZ ARG A 32 -9.017 -3.179 6.048 1.00 40.42 C ATOM 518 NH1 ARG A 32 -9.291 -2.904 7.319 1.00 74.13 N ATOM 519 NH2 ARG A 32 -8.420 -4.316 5.725 1.00 12.03 N ATOM 0 H ARG A 32 -11.438 3.176 4.089 1.00 1.22 H new ATOM 0 HA ARG A 32 -9.454 1.165 3.946 1.00 4.44 H new ATOM 0 HB2 ARG A 32 -11.558 1.164 5.357 1.00 51.31 H new ATOM 0 HB3 ARG A 32 -12.472 0.833 3.899 1.00 51.31 H new ATOM 0 HG2 ARG A 32 -12.055 -1.261 5.046 1.00 23.45 H new ATOM 0 HG3 ARG A 32 -11.138 -1.251 3.553 1.00 23.45 H new ATOM 0 HD2 ARG A 32 -9.209 -0.246 5.047 1.00 71.22 H new ATOM 0 HD3 ARG A 32 -10.142 -0.889 6.384 1.00 71.22 H new ATOM 0 HE ARG A 32 -9.222 -2.622 4.117 1.00 42.24 H new ATOM 0 HH11 ARG A 32 -9.771 -2.037 7.561 1.00 74.13 H new ATOM 0 HH12 ARG A 32 -9.021 -3.560 8.052 1.00 74.13 H new ATOM 0 HH21 ARG A 32 -8.232 -4.533 4.746 1.00 12.03 H new ATOM 0 HH22 ARG A 32 -8.148 -4.975 6.455 1.00 12.03 H new ATOM 533 N SER A 33 -11.208 1.728 1.261 1.00 13.30 N ATOM 534 CA SER A 33 -11.300 1.430 -0.162 1.00 13.11 C ATOM 535 C SER A 33 -9.915 1.436 -0.798 1.00 3.41 C ATOM 536 O SER A 33 -9.630 0.641 -1.688 1.00 33.42 O ATOM 537 CB SER A 33 -12.208 2.438 -0.864 1.00 44.12 C ATOM 538 OG SER A 33 -13.537 2.370 -0.367 1.00 31.43 O ATOM 0 H SER A 33 -11.720 2.561 1.552 1.00 13.30 H new ATOM 0 HA SER A 33 -11.732 0.436 -0.276 1.00 13.11 H new ATOM 0 HB2 SER A 33 -11.815 3.445 -0.722 1.00 44.12 H new ATOM 0 HB3 SER A 33 -12.208 2.245 -1.937 1.00 44.12 H new ATOM 0 HG SER A 33 -13.564 2.728 0.545 1.00 31.43 H new ATOM 544 N ARG A 34 -9.047 2.322 -0.319 1.00 53.43 N ATOM 545 CA ARG A 34 -7.669 2.364 -0.791 1.00 41.11 C ATOM 546 C ARG A 34 -6.927 1.110 -0.351 1.00 0.23 C ATOM 547 O ARG A 34 -6.151 0.530 -1.105 1.00 73.24 O ATOM 548 CB ARG A 34 -6.932 3.596 -0.251 1.00 15.35 C ATOM 549 CG ARG A 34 -7.146 4.876 -1.050 1.00 72.15 C ATOM 550 CD ARG A 34 -8.546 5.450 -0.886 1.00 52.24 C ATOM 551 NE ARG A 34 -8.650 6.777 -1.494 1.00 72.34 N ATOM 552 CZ ARG A 34 -9.791 7.450 -1.655 1.00 60.24 C ATOM 553 NH1 ARG A 34 -10.946 6.928 -1.248 1.00 45.04 N ATOM 554 NH2 ARG A 34 -9.774 8.658 -2.208 1.00 72.31 N ATOM 0 H ARG A 34 -9.273 3.017 0.392 1.00 53.43 H new ATOM 0 HA ARG A 34 -7.694 2.420 -1.879 1.00 41.11 H new ATOM 0 HB2 ARG A 34 -7.250 3.770 0.777 1.00 15.35 H new ATOM 0 HB3 ARG A 34 -5.864 3.378 -0.221 1.00 15.35 H new ATOM 0 HG2 ARG A 34 -6.415 5.621 -0.736 1.00 72.15 H new ATOM 0 HG3 ARG A 34 -6.963 4.674 -2.105 1.00 72.15 H new ATOM 0 HD2 ARG A 34 -9.273 4.779 -1.345 1.00 52.24 H new ATOM 0 HD3 ARG A 34 -8.794 5.512 0.174 1.00 52.24 H new ATOM 0 HE ARG A 34 -7.789 7.219 -1.818 1.00 72.34 H new ATOM 0 HH11 ARG A 34 -10.963 6.007 -0.809 1.00 45.04 H new ATOM 0 HH12 ARG A 34 -11.814 7.449 -1.375 1.00 45.04 H new ATOM 0 HH21 ARG A 34 -8.890 9.069 -2.508 1.00 72.31 H new ATOM 0 HH22 ARG A 34 -10.645 9.174 -2.332 1.00 72.31 H new ATOM 568 N ILE A 35 -7.196 0.679 0.869 1.00 33.33 N ATOM 569 CA ILE A 35 -6.479 -0.436 1.460 1.00 33.33 C ATOM 570 C ILE A 35 -6.882 -1.772 0.836 1.00 2.03 C ATOM 571 O ILE A 35 -6.047 -2.656 0.658 1.00 62.13 O ATOM 572 CB ILE A 35 -6.694 -0.474 2.988 1.00 1.31 C ATOM 573 CG1 ILE A 35 -6.132 0.805 3.616 1.00 43.05 C ATOM 574 CG2 ILE A 35 -6.041 -1.708 3.599 1.00 1.21 C ATOM 575 CD1 ILE A 35 -6.281 0.865 5.118 1.00 53.24 C ATOM 0 H ILE A 35 -7.910 1.087 1.472 1.00 33.33 H new ATOM 0 HA ILE A 35 -5.420 -0.282 1.254 1.00 33.33 H new ATOM 0 HB ILE A 35 -7.763 -0.531 3.193 1.00 1.31 H new ATOM 0 HG12 ILE A 35 -5.075 0.889 3.362 1.00 43.05 H new ATOM 0 HG13 ILE A 35 -6.635 1.666 3.176 1.00 43.05 H new ATOM 0 HG21 ILE A 35 -6.207 -1.712 4.676 1.00 1.21 H new ATOM 0 HG22 ILE A 35 -6.479 -2.605 3.162 1.00 1.21 H new ATOM 0 HG23 ILE A 35 -4.970 -1.691 3.397 1.00 1.21 H new ATOM 0 HD11 ILE A 35 -5.860 1.800 5.488 1.00 53.24 H new ATOM 0 HD12 ILE A 35 -7.338 0.814 5.381 1.00 53.24 H new ATOM 0 HD13 ILE A 35 -5.753 0.025 5.570 1.00 53.24 H new ATOM 587 N GLU A 36 -8.149 -1.926 0.497 1.00 3.43 N ATOM 588 CA GLU A 36 -8.619 -3.187 -0.060 1.00 60.12 C ATOM 589 C GLU A 36 -8.521 -3.221 -1.586 1.00 13.40 C ATOM 590 O GLU A 36 -8.586 -4.291 -2.188 1.00 31.14 O ATOM 591 CB GLU A 36 -10.048 -3.480 0.394 1.00 12.01 C ATOM 592 CG GLU A 36 -10.173 -3.670 1.898 1.00 12.22 C ATOM 593 CD GLU A 36 -9.189 -4.690 2.442 1.00 72.31 C ATOM 594 OE1 GLU A 36 -9.440 -5.904 2.307 1.00 41.41 O ATOM 595 OE2 GLU A 36 -8.161 -4.281 3.019 1.00 22.52 O ATOM 0 H GLU A 36 -8.865 -1.206 0.595 1.00 3.43 H new ATOM 0 HA GLU A 36 -7.961 -3.968 0.321 1.00 60.12 H new ATOM 0 HB2 GLU A 36 -10.696 -2.661 0.083 1.00 12.01 H new ATOM 0 HB3 GLU A 36 -10.405 -4.378 -0.110 1.00 12.01 H new ATOM 0 HG2 GLU A 36 -10.012 -2.714 2.396 1.00 12.22 H new ATOM 0 HG3 GLU A 36 -11.188 -3.987 2.137 1.00 12.22 H new ATOM 602 N LYS A 37 -8.357 -2.067 -2.216 1.00 64.55 N ATOM 603 CA LYS A 37 -8.275 -2.014 -3.668 1.00 0.31 C ATOM 604 C LYS A 37 -6.843 -1.748 -4.120 1.00 23.32 C ATOM 605 O LYS A 37 -6.259 -2.541 -4.855 1.00 1.40 O ATOM 606 CB LYS A 37 -9.220 -0.932 -4.213 1.00 63.13 C ATOM 607 CG LYS A 37 -9.486 -1.021 -5.711 1.00 1.20 C ATOM 608 CD LYS A 37 -8.288 -0.593 -6.542 1.00 44.24 C ATOM 609 CE LYS A 37 -8.509 0.756 -7.207 1.00 21.33 C ATOM 610 NZ LYS A 37 -8.534 1.880 -6.233 1.00 62.52 N ATOM 0 H LYS A 37 -8.279 -1.163 -1.750 1.00 64.55 H new ATOM 0 HA LYS A 37 -8.582 -2.981 -4.066 1.00 0.31 H new ATOM 0 HB2 LYS A 37 -10.171 -0.998 -3.684 1.00 63.13 H new ATOM 0 HB3 LYS A 37 -8.797 0.048 -3.989 1.00 63.13 H new ATOM 0 HG2 LYS A 37 -9.755 -2.045 -5.969 1.00 1.20 H new ATOM 0 HG3 LYS A 37 -10.341 -0.394 -5.963 1.00 1.20 H new ATOM 0 HD2 LYS A 37 -7.405 -0.543 -5.906 1.00 44.24 H new ATOM 0 HD3 LYS A 37 -8.089 -1.345 -7.305 1.00 44.24 H new ATOM 0 HE2 LYS A 37 -7.718 0.931 -7.936 1.00 21.33 H new ATOM 0 HE3 LYS A 37 -9.450 0.736 -7.756 1.00 21.33 H new ATOM 0 HZ1 LYS A 37 -9.349 2.494 -6.432 1.00 62.52 H new ATOM 0 HZ2 LYS A 37 -8.614 1.501 -5.268 1.00 62.52 H new ATOM 0 HZ3 LYS A 37 -7.656 2.432 -6.317 1.00 62.52 H new ATOM 624 N ASP A 38 -6.285 -0.637 -3.668 1.00 22.33 N ATOM 625 CA ASP A 38 -4.984 -0.180 -4.141 1.00 40.13 C ATOM 626 C ASP A 38 -3.860 -0.922 -3.437 1.00 62.12 C ATOM 627 O ASP A 38 -2.848 -1.260 -4.043 1.00 0.42 O ATOM 628 CB ASP A 38 -4.853 1.329 -3.921 1.00 3.11 C ATOM 629 CG ASP A 38 -6.029 2.086 -4.503 1.00 42.34 C ATOM 630 OD1 ASP A 38 -7.038 2.271 -3.789 1.00 52.13 O ATOM 631 OD2 ASP A 38 -5.976 2.463 -5.688 1.00 1.33 O ATOM 0 H ASP A 38 -6.714 -0.030 -2.970 1.00 22.33 H new ATOM 0 HA ASP A 38 -4.907 -0.391 -5.208 1.00 40.13 H new ATOM 0 HB2 ASP A 38 -4.780 1.536 -2.853 1.00 3.11 H new ATOM 0 HB3 ASP A 38 -3.930 1.684 -4.378 1.00 3.11 H new ATOM 636 N ILE A 39 -4.046 -1.189 -2.155 1.00 52.51 N ATOM 637 CA ILE A 39 -3.062 -1.948 -1.396 1.00 52.02 C ATOM 638 C ILE A 39 -3.140 -3.430 -1.769 1.00 13.12 C ATOM 639 O ILE A 39 -2.220 -4.205 -1.507 1.00 54.02 O ATOM 640 CB ILE A 39 -3.263 -1.776 0.130 1.00 4.50 C ATOM 641 CG1 ILE A 39 -3.339 -0.290 0.501 1.00 1.14 C ATOM 642 CG2 ILE A 39 -2.144 -2.456 0.908 1.00 61.24 C ATOM 643 CD1 ILE A 39 -2.118 0.508 0.106 1.00 20.21 C ATOM 0 H ILE A 39 -4.863 -0.895 -1.620 1.00 52.51 H new ATOM 0 HA ILE A 39 -2.075 -1.561 -1.650 1.00 52.02 H new ATOM 0 HB ILE A 39 -4.206 -2.252 0.399 1.00 4.50 H new ATOM 0 HG12 ILE A 39 -4.216 0.148 0.024 1.00 1.14 H new ATOM 0 HG13 ILE A 39 -3.484 -0.202 1.578 1.00 1.14 H new ATOM 0 HG21 ILE A 39 -2.309 -2.320 1.977 1.00 61.24 H new ATOM 0 HG22 ILE A 39 -2.134 -3.521 0.675 1.00 61.24 H new ATOM 0 HG23 ILE A 39 -1.187 -2.014 0.630 1.00 61.24 H new ATOM 0 HD11 ILE A 39 -2.251 1.548 0.403 1.00 20.21 H new ATOM 0 HD12 ILE A 39 -1.239 0.098 0.603 1.00 20.21 H new ATOM 0 HD13 ILE A 39 -1.982 0.454 -0.974 1.00 20.21 H new ATOM 655 N LYS A 40 -4.244 -3.818 -2.398 1.00 14.52 N ATOM 656 CA LYS A 40 -4.437 -5.202 -2.816 1.00 73.25 C ATOM 657 C LYS A 40 -4.624 -5.292 -4.336 1.00 12.23 C ATOM 658 O LYS A 40 -5.743 -5.471 -4.816 1.00 5.33 O ATOM 659 CB LYS A 40 -5.660 -5.811 -2.117 1.00 22.51 C ATOM 660 CG LYS A 40 -5.781 -5.449 -0.643 1.00 12.02 C ATOM 661 CD LYS A 40 -4.640 -6.021 0.179 1.00 11.31 C ATOM 662 CE LYS A 40 -4.595 -5.408 1.573 1.00 25.32 C ATOM 663 NZ LYS A 40 -5.873 -5.589 2.312 1.00 51.11 N ATOM 0 H LYS A 40 -5.018 -3.195 -2.629 1.00 14.52 H new ATOM 0 HA LYS A 40 -3.545 -5.762 -2.534 1.00 73.25 H new ATOM 0 HB2 LYS A 40 -6.561 -5.483 -2.635 1.00 22.51 H new ATOM 0 HB3 LYS A 40 -5.615 -6.896 -2.211 1.00 22.51 H new ATOM 0 HG2 LYS A 40 -5.796 -4.364 -0.536 1.00 12.02 H new ATOM 0 HG3 LYS A 40 -6.729 -5.821 -0.255 1.00 12.02 H new ATOM 0 HD2 LYS A 40 -4.754 -7.102 0.259 1.00 11.31 H new ATOM 0 HD3 LYS A 40 -3.695 -5.837 -0.331 1.00 11.31 H new ATOM 0 HE2 LYS A 40 -3.783 -5.862 2.141 1.00 25.32 H new ATOM 0 HE3 LYS A 40 -4.372 -4.344 1.492 1.00 25.32 H new ATOM 0 HZ1 LYS A 40 -5.670 -5.813 3.307 1.00 51.11 H new ATOM 0 HZ2 LYS A 40 -6.431 -4.713 2.261 1.00 51.11 H new ATOM 0 HZ3 LYS A 40 -6.413 -6.369 1.885 1.00 51.11 H new ATOM 677 N PRO A 41 -3.534 -5.156 -5.122 1.00 40.34 N ATOM 678 CA PRO A 41 -3.606 -5.256 -6.588 1.00 12.32 C ATOM 679 C PRO A 41 -3.998 -6.655 -7.040 1.00 5.20 C ATOM 680 O PRO A 41 -4.689 -6.835 -8.044 1.00 4.00 O ATOM 681 CB PRO A 41 -2.178 -4.933 -7.044 1.00 42.04 C ATOM 682 CG PRO A 41 -1.321 -5.210 -5.856 1.00 64.33 C ATOM 683 CD PRO A 41 -2.163 -4.881 -4.656 1.00 41.23 C ATOM 0 HA PRO A 41 -4.359 -4.588 -7.007 1.00 12.32 H new ATOM 0 HB2 PRO A 41 -1.886 -5.550 -7.894 1.00 42.04 H new ATOM 0 HB3 PRO A 41 -2.090 -3.894 -7.360 1.00 42.04 H new ATOM 0 HG2 PRO A 41 -1.005 -6.253 -5.837 1.00 64.33 H new ATOM 0 HG3 PRO A 41 -0.416 -4.603 -5.877 1.00 64.33 H new ATOM 0 HD2 PRO A 41 -1.898 -5.497 -3.797 1.00 41.23 H new ATOM 0 HD3 PRO A 41 -2.042 -3.841 -4.352 1.00 41.23 H new ATOM 691 N ALA A 42 -3.559 -7.634 -6.265 1.00 11.23 N ATOM 692 CA ALA A 42 -3.793 -9.041 -6.556 1.00 31.32 C ATOM 693 C ALA A 42 -3.193 -9.894 -5.456 1.00 20.20 C ATOM 694 O ALA A 42 -3.676 -10.986 -5.165 1.00 3.31 O ATOM 695 CB ALA A 42 -3.188 -9.426 -7.897 1.00 63.33 C ATOM 0 H ALA A 42 -3.026 -7.474 -5.410 1.00 11.23 H new ATOM 0 HA ALA A 42 -4.869 -9.211 -6.605 1.00 31.32 H new ATOM 0 HB1 ALA A 42 -3.376 -10.482 -8.091 1.00 63.33 H new ATOM 0 HB2 ALA A 42 -3.640 -8.825 -8.686 1.00 63.33 H new ATOM 0 HB3 ALA A 42 -2.113 -9.247 -7.876 1.00 63.33 H new ATOM 701 N ILE A 43 -2.131 -9.371 -4.848 1.00 11.24 N ATOM 702 CA ILE A 43 -1.427 -10.057 -3.774 1.00 62.41 C ATOM 703 C ILE A 43 -2.376 -10.473 -2.647 1.00 42.34 C ATOM 704 O ILE A 43 -2.460 -11.654 -2.316 1.00 41.12 O ATOM 705 CB ILE A 43 -0.280 -9.180 -3.218 1.00 4.24 C ATOM 706 CG1 ILE A 43 -0.777 -7.763 -2.913 1.00 1.00 C ATOM 707 CG2 ILE A 43 0.868 -9.132 -4.217 1.00 45.45 C ATOM 708 CD1 ILE A 43 0.250 -6.889 -2.221 1.00 74.55 C ATOM 0 H ILE A 43 -1.737 -8.461 -5.087 1.00 11.24 H new ATOM 0 HA ILE A 43 -0.998 -10.965 -4.198 1.00 62.41 H new ATOM 0 HB ILE A 43 0.075 -9.624 -2.288 1.00 4.24 H new ATOM 0 HG12 ILE A 43 -1.078 -7.285 -3.845 1.00 1.00 H new ATOM 0 HG13 ILE A 43 -1.667 -7.827 -2.287 1.00 1.00 H new ATOM 0 HG21 ILE A 43 1.672 -8.513 -3.818 1.00 45.45 H new ATOM 0 HG22 ILE A 43 1.240 -10.141 -4.392 1.00 45.45 H new ATOM 0 HG23 ILE A 43 0.515 -8.708 -5.157 1.00 45.45 H new ATOM 0 HD11 ILE A 43 -0.176 -5.902 -2.039 1.00 74.55 H new ATOM 0 HD12 ILE A 43 0.534 -7.343 -1.271 1.00 74.55 H new ATOM 0 HD13 ILE A 43 1.132 -6.792 -2.855 1.00 74.55 H new ATOM 720 N GLY A 44 -3.099 -9.505 -2.081 1.00 73.53 N ATOM 721 CA GLY A 44 -4.063 -9.792 -1.031 1.00 53.35 C ATOM 722 C GLY A 44 -3.461 -10.579 0.112 1.00 3.43 C ATOM 723 O GLY A 44 -2.651 -10.056 0.875 1.00 52.21 O ATOM 0 H GLY A 44 -3.032 -8.519 -2.335 1.00 73.53 H new ATOM 0 HA2 GLY A 44 -4.468 -8.855 -0.649 1.00 53.35 H new ATOM 0 HA3 GLY A 44 -4.898 -10.352 -1.453 1.00 53.35 H new ATOM 727 N SER A 45 -3.848 -11.837 0.228 1.00 55.11 N ATOM 728 CA SER A 45 -3.301 -12.707 1.249 1.00 22.54 C ATOM 729 C SER A 45 -1.952 -13.262 0.797 1.00 51.02 C ATOM 730 O SER A 45 -1.851 -14.406 0.354 1.00 23.21 O ATOM 731 CB SER A 45 -4.276 -13.843 1.540 1.00 51.01 C ATOM 732 OG SER A 45 -5.594 -13.347 1.700 1.00 62.53 O ATOM 0 H SER A 45 -4.542 -12.278 -0.376 1.00 55.11 H new ATOM 0 HA SER A 45 -3.150 -12.134 2.164 1.00 22.54 H new ATOM 0 HB2 SER A 45 -4.251 -14.567 0.725 1.00 51.01 H new ATOM 0 HB3 SER A 45 -3.969 -14.369 2.444 1.00 51.01 H new ATOM 0 HG SER A 45 -6.204 -14.092 1.884 1.00 62.53 H new ATOM 738 N LEU A 46 -0.930 -12.422 0.871 1.00 33.55 N ATOM 739 CA LEU A 46 0.422 -12.805 0.494 1.00 5.00 C ATOM 740 C LEU A 46 1.392 -12.366 1.584 1.00 53.22 C ATOM 741 O LEU A 46 1.151 -11.357 2.252 1.00 51.13 O ATOM 742 CB LEU A 46 0.803 -12.156 -0.839 1.00 24.23 C ATOM 743 CG LEU A 46 2.152 -12.586 -1.419 1.00 13.21 C ATOM 744 CD1 LEU A 46 2.086 -14.018 -1.921 1.00 24.53 C ATOM 745 CD2 LEU A 46 2.576 -11.645 -2.533 1.00 42.54 C ATOM 0 H LEU A 46 -1.015 -11.458 1.193 1.00 33.55 H new ATOM 0 HA LEU A 46 0.471 -13.888 0.379 1.00 5.00 H new ATOM 0 HB2 LEU A 46 0.025 -12.381 -1.568 1.00 24.23 H new ATOM 0 HB3 LEU A 46 0.812 -11.074 -0.707 1.00 24.23 H new ATOM 0 HG LEU A 46 2.899 -12.537 -0.627 1.00 13.21 H new ATOM 0 HD11 LEU A 46 3.055 -14.305 -2.330 1.00 24.53 H new ATOM 0 HD12 LEU A 46 1.829 -14.682 -1.095 1.00 24.53 H new ATOM 0 HD13 LEU A 46 1.326 -14.096 -2.699 1.00 24.53 H new ATOM 0 HD21 LEU A 46 3.537 -11.966 -2.934 1.00 42.54 H new ATOM 0 HD22 LEU A 46 1.829 -11.660 -3.326 1.00 42.54 H new ATOM 0 HD23 LEU A 46 2.667 -10.633 -2.139 1.00 42.54 H new ATOM 757 N LYS A 47 2.460 -13.130 1.787 1.00 63.33 N ATOM 758 CA LYS A 47 3.459 -12.800 2.796 1.00 64.22 C ATOM 759 C LYS A 47 4.068 -11.424 2.568 1.00 65.35 C ATOM 760 O LYS A 47 4.256 -10.984 1.431 1.00 5.32 O ATOM 761 CB LYS A 47 4.560 -13.860 2.839 1.00 13.24 C ATOM 762 CG LYS A 47 4.123 -15.134 3.532 1.00 74.53 C ATOM 763 CD LYS A 47 3.679 -14.845 4.954 1.00 21.10 C ATOM 764 CE LYS A 47 3.034 -16.058 5.592 1.00 42.11 C ATOM 765 NZ LYS A 47 4.010 -17.162 5.816 1.00 52.32 N ATOM 0 H LYS A 47 2.656 -13.984 1.265 1.00 63.33 H new ATOM 0 HA LYS A 47 2.945 -12.782 3.757 1.00 64.22 H new ATOM 0 HB2 LYS A 47 4.872 -14.094 1.821 1.00 13.24 H new ATOM 0 HB3 LYS A 47 5.430 -13.452 3.353 1.00 13.24 H new ATOM 0 HG2 LYS A 47 3.306 -15.594 2.977 1.00 74.53 H new ATOM 0 HG3 LYS A 47 4.945 -15.850 3.541 1.00 74.53 H new ATOM 0 HD2 LYS A 47 4.538 -14.534 5.548 1.00 21.10 H new ATOM 0 HD3 LYS A 47 2.973 -14.014 4.954 1.00 21.10 H new ATOM 0 HE2 LYS A 47 2.587 -15.771 6.544 1.00 42.11 H new ATOM 0 HE3 LYS A 47 2.225 -16.414 4.955 1.00 42.11 H new ATOM 0 HZ1 LYS A 47 3.525 -17.971 6.254 1.00 52.32 H new ATOM 0 HZ2 LYS A 47 4.418 -17.455 4.905 1.00 52.32 H new ATOM 0 HZ3 LYS A 47 4.769 -16.832 6.445 1.00 52.32 H new ATOM 779 N VAL A 48 4.386 -10.765 3.671 1.00 71.45 N ATOM 780 CA VAL A 48 4.930 -9.414 3.642 1.00 1.20 C ATOM 781 C VAL A 48 6.345 -9.413 3.061 1.00 21.52 C ATOM 782 O VAL A 48 6.808 -8.418 2.514 1.00 12.42 O ATOM 783 CB VAL A 48 4.955 -8.801 5.060 1.00 35.20 C ATOM 784 CG1 VAL A 48 5.394 -7.345 5.021 1.00 24.44 C ATOM 785 CG2 VAL A 48 3.591 -8.931 5.723 1.00 65.12 C ATOM 0 H VAL A 48 4.275 -11.149 4.609 1.00 71.45 H new ATOM 0 HA VAL A 48 4.283 -8.810 3.006 1.00 1.20 H new ATOM 0 HB VAL A 48 5.683 -9.355 5.653 1.00 35.20 H new ATOM 0 HG11 VAL A 48 5.402 -6.940 6.033 1.00 24.44 H new ATOM 0 HG12 VAL A 48 6.395 -7.278 4.595 1.00 24.44 H new ATOM 0 HG13 VAL A 48 4.700 -6.772 4.407 1.00 24.44 H new ATOM 0 HG21 VAL A 48 3.628 -8.494 6.721 1.00 65.12 H new ATOM 0 HG22 VAL A 48 2.845 -8.408 5.125 1.00 65.12 H new ATOM 0 HG23 VAL A 48 3.322 -9.985 5.798 1.00 65.12 H new ATOM 795 N GLU A 49 7.015 -10.546 3.167 1.00 75.32 N ATOM 796 CA GLU A 49 8.385 -10.680 2.691 1.00 34.43 C ATOM 797 C GLU A 49 8.442 -10.741 1.159 1.00 4.54 C ATOM 798 O GLU A 49 9.485 -10.481 0.552 1.00 34.20 O ATOM 799 CB GLU A 49 8.999 -11.941 3.308 1.00 14.10 C ATOM 800 CG GLU A 49 10.470 -12.146 2.999 1.00 0.05 C ATOM 801 CD GLU A 49 11.016 -13.392 3.658 1.00 40.44 C ATOM 802 OE1 GLU A 49 10.586 -14.502 3.285 1.00 2.30 O ATOM 803 OE2 GLU A 49 11.869 -13.272 4.562 1.00 72.41 O ATOM 0 H GLU A 49 6.631 -11.395 3.582 1.00 75.32 H new ATOM 0 HA GLU A 49 8.957 -9.804 2.997 1.00 34.43 H new ATOM 0 HB2 GLU A 49 8.871 -11.899 4.390 1.00 14.10 H new ATOM 0 HB3 GLU A 49 8.443 -12.810 2.955 1.00 14.10 H new ATOM 0 HG2 GLU A 49 10.608 -12.216 1.920 1.00 0.05 H new ATOM 0 HG3 GLU A 49 11.036 -11.278 3.337 1.00 0.05 H new ATOM 810 N ASP A 50 7.307 -11.047 0.534 1.00 60.12 N ATOM 811 CA ASP A 50 7.269 -11.283 -0.912 1.00 40.21 C ATOM 812 C ASP A 50 6.932 -10.010 -1.692 1.00 62.32 C ATOM 813 O ASP A 50 6.961 -10.001 -2.924 1.00 5.04 O ATOM 814 CB ASP A 50 6.243 -12.379 -1.238 1.00 1.33 C ATOM 815 CG ASP A 50 6.336 -12.876 -2.674 1.00 72.31 C ATOM 816 OD1 ASP A 50 7.128 -13.809 -2.935 1.00 22.53 O ATOM 817 OD2 ASP A 50 5.616 -12.345 -3.548 1.00 60.52 O ATOM 0 H ASP A 50 6.405 -11.138 1.001 1.00 60.12 H new ATOM 0 HA ASP A 50 8.264 -11.606 -1.218 1.00 40.21 H new ATOM 0 HB2 ASP A 50 6.389 -13.219 -0.559 1.00 1.33 H new ATOM 0 HB3 ASP A 50 5.239 -11.994 -1.057 1.00 1.33 H new ATOM 822 N VAL A 51 6.631 -8.925 -0.989 1.00 4.23 N ATOM 823 CA VAL A 51 6.222 -7.701 -1.664 1.00 4.34 C ATOM 824 C VAL A 51 7.417 -6.990 -2.318 1.00 14.40 C ATOM 825 O VAL A 51 8.100 -6.163 -1.718 1.00 14.32 O ATOM 826 CB VAL A 51 5.428 -6.741 -0.737 1.00 54.13 C ATOM 827 CG1 VAL A 51 6.236 -6.315 0.478 1.00 51.54 C ATOM 828 CG2 VAL A 51 4.941 -5.526 -1.515 1.00 5.03 C ATOM 0 H VAL A 51 6.661 -8.867 0.029 1.00 4.23 H new ATOM 0 HA VAL A 51 5.538 -8.002 -2.458 1.00 4.34 H new ATOM 0 HB VAL A 51 4.563 -7.291 -0.368 1.00 54.13 H new ATOM 0 HG11 VAL A 51 5.638 -5.645 1.096 1.00 51.54 H new ATOM 0 HG12 VAL A 51 6.511 -7.195 1.059 1.00 51.54 H new ATOM 0 HG13 VAL A 51 7.139 -5.799 0.152 1.00 51.54 H new ATOM 0 HG21 VAL A 51 4.387 -4.865 -0.848 1.00 5.03 H new ATOM 0 HG22 VAL A 51 5.797 -4.991 -1.927 1.00 5.03 H new ATOM 0 HG23 VAL A 51 4.290 -5.851 -2.327 1.00 5.03 H new ATOM 838 N LYS A 52 7.693 -7.388 -3.550 1.00 4.10 N ATOM 839 CA LYS A 52 8.682 -6.724 -4.384 1.00 73.33 C ATOM 840 C LYS A 52 8.201 -5.326 -4.754 1.00 64.12 C ATOM 841 O LYS A 52 6.992 -5.093 -4.854 1.00 72.11 O ATOM 842 CB LYS A 52 8.900 -7.523 -5.669 1.00 1.20 C ATOM 843 CG LYS A 52 9.282 -8.976 -5.447 1.00 71.23 C ATOM 844 CD LYS A 52 10.703 -9.116 -4.946 1.00 43.02 C ATOM 845 CE LYS A 52 11.089 -10.576 -4.777 1.00 31.24 C ATOM 846 NZ LYS A 52 12.522 -10.729 -4.422 1.00 3.31 N ATOM 0 H LYS A 52 7.237 -8.182 -4.000 1.00 4.10 H new ATOM 0 HA LYS A 52 9.616 -6.656 -3.826 1.00 73.33 H new ATOM 0 HB2 LYS A 52 7.988 -7.487 -6.264 1.00 1.20 H new ATOM 0 HB3 LYS A 52 9.682 -7.040 -6.255 1.00 1.20 H new ATOM 0 HG2 LYS A 52 8.598 -9.425 -4.728 1.00 71.23 H new ATOM 0 HG3 LYS A 52 9.170 -9.527 -6.381 1.00 71.23 H new ATOM 0 HD2 LYS A 52 11.386 -8.636 -5.646 1.00 43.02 H new ATOM 0 HD3 LYS A 52 10.807 -8.598 -3.993 1.00 43.02 H new ATOM 0 HE2 LYS A 52 10.472 -11.028 -4.000 1.00 31.24 H new ATOM 0 HE3 LYS A 52 10.884 -11.116 -5.701 1.00 31.24 H new ATOM 0 HZ1 LYS A 52 12.747 -11.739 -4.315 1.00 3.31 H new ATOM 0 HZ2 LYS A 52 13.112 -10.320 -5.175 1.00 3.31 H new ATOM 0 HZ3 LYS A 52 12.712 -10.235 -3.527 1.00 3.31 H new ATOM 860 N PRO A 53 9.133 -4.388 -4.984 1.00 63.31 N ATOM 861 CA PRO A 53 8.801 -3.024 -5.411 1.00 74.34 C ATOM 862 C PRO A 53 7.920 -3.003 -6.659 1.00 13.01 C ATOM 863 O PRO A 53 7.082 -2.115 -6.822 1.00 3.54 O ATOM 864 CB PRO A 53 10.168 -2.398 -5.704 1.00 2.35 C ATOM 865 CG PRO A 53 11.122 -3.172 -4.864 1.00 72.43 C ATOM 866 CD PRO A 53 10.588 -4.576 -4.830 1.00 33.12 C ATOM 0 HA PRO A 53 8.229 -2.488 -4.654 1.00 74.34 H new ATOM 0 HB2 PRO A 53 10.420 -2.473 -6.762 1.00 2.35 H new ATOM 0 HB3 PRO A 53 10.182 -1.339 -5.447 1.00 2.35 H new ATOM 0 HG2 PRO A 53 12.126 -3.145 -5.287 1.00 72.43 H new ATOM 0 HG3 PRO A 53 11.188 -2.754 -3.860 1.00 72.43 H new ATOM 0 HD2 PRO A 53 11.003 -5.184 -5.634 1.00 33.12 H new ATOM 0 HD3 PRO A 53 10.832 -5.077 -3.893 1.00 33.12 H new ATOM 874 N ARG A 54 8.096 -3.997 -7.531 1.00 71.44 N ATOM 875 CA ARG A 54 7.308 -4.080 -8.756 1.00 2.14 C ATOM 876 C ARG A 54 5.827 -4.328 -8.471 1.00 12.34 C ATOM 877 O ARG A 54 4.989 -4.072 -9.326 1.00 60.44 O ATOM 878 CB ARG A 54 7.829 -5.171 -9.691 1.00 44.01 C ATOM 879 CG ARG A 54 7.797 -6.570 -9.099 1.00 21.42 C ATOM 880 CD ARG A 54 7.709 -7.624 -10.191 1.00 33.33 C ATOM 881 NE ARG A 54 8.692 -7.400 -11.250 1.00 21.30 N ATOM 882 CZ ARG A 54 8.442 -7.570 -12.549 1.00 23.20 C ATOM 883 NH1 ARG A 54 7.238 -7.966 -12.950 1.00 61.31 N ATOM 884 NH2 ARG A 54 9.395 -7.343 -13.447 1.00 75.11 N ATOM 0 H ARG A 54 8.773 -4.750 -7.411 1.00 71.44 H new ATOM 0 HA ARG A 54 7.412 -3.112 -9.246 1.00 2.14 H new ATOM 0 HB2 ARG A 54 7.236 -5.163 -10.606 1.00 44.01 H new ATOM 0 HB3 ARG A 54 8.854 -4.932 -9.973 1.00 44.01 H new ATOM 0 HG2 ARG A 54 8.693 -6.736 -8.501 1.00 21.42 H new ATOM 0 HG3 ARG A 54 6.943 -6.665 -8.428 1.00 21.42 H new ATOM 0 HD2 ARG A 54 7.864 -8.611 -9.755 1.00 33.33 H new ATOM 0 HD3 ARG A 54 6.707 -7.619 -10.620 1.00 33.33 H new ATOM 0 HE ARG A 54 9.627 -7.095 -10.979 1.00 21.30 H new ATOM 0 HH11 ARG A 54 6.504 -8.140 -12.264 1.00 61.31 H new ATOM 0 HH12 ARG A 54 7.049 -8.095 -13.944 1.00 61.31 H new ATOM 0 HH21 ARG A 54 10.320 -7.038 -13.143 1.00 75.11 H new ATOM 0 HH22 ARG A 54 9.202 -7.474 -14.440 1.00 75.11 H new ATOM 898 N HIS A 55 5.499 -4.831 -7.280 1.00 23.41 N ATOM 899 CA HIS A 55 4.094 -5.027 -6.912 1.00 32.11 C ATOM 900 C HIS A 55 3.435 -3.676 -6.697 1.00 45.04 C ATOM 901 O HIS A 55 2.290 -3.456 -7.087 1.00 40.12 O ATOM 902 CB HIS A 55 3.947 -5.880 -5.646 1.00 44.32 C ATOM 903 CG HIS A 55 4.369 -7.309 -5.807 1.00 14.12 C ATOM 904 ND1 HIS A 55 4.056 -8.071 -6.909 1.00 20.41 N ATOM 905 CD2 HIS A 55 5.095 -8.111 -4.995 1.00 54.25 C ATOM 906 CE1 HIS A 55 4.576 -9.277 -6.767 1.00 71.34 C ATOM 907 NE2 HIS A 55 5.209 -9.325 -5.615 1.00 20.32 N ATOM 0 H HIS A 55 6.172 -5.106 -6.565 1.00 23.41 H new ATOM 0 HA HIS A 55 3.605 -5.559 -7.728 1.00 32.11 H new ATOM 0 HB2 HIS A 55 4.536 -5.428 -4.848 1.00 44.32 H new ATOM 0 HB3 HIS A 55 2.905 -5.856 -5.326 1.00 44.32 H new ATOM 0 HD2 HIS A 55 5.508 -7.842 -4.034 1.00 54.25 H new ATOM 0 HE1 HIS A 55 4.495 -10.087 -7.477 1.00 71.34 H new ATOM 0 HE2 HIS A 55 5.704 -10.136 -5.244 1.00 20.32 H new ATOM 916 N ILE A 56 4.189 -2.772 -6.092 1.00 53.04 N ATOM 917 CA ILE A 56 3.734 -1.410 -5.874 1.00 13.10 C ATOM 918 C ILE A 56 3.658 -0.676 -7.208 1.00 34.43 C ATOM 919 O ILE A 56 2.684 0.012 -7.505 1.00 23.45 O ATOM 920 CB ILE A 56 4.691 -0.661 -4.919 1.00 1.03 C ATOM 921 CG1 ILE A 56 4.730 -1.347 -3.549 1.00 34.51 C ATOM 922 CG2 ILE A 56 4.289 0.800 -4.779 1.00 14.04 C ATOM 923 CD1 ILE A 56 3.385 -1.402 -2.856 1.00 32.31 C ATOM 0 H ILE A 56 5.128 -2.961 -5.741 1.00 53.04 H new ATOM 0 HA ILE A 56 2.745 -1.442 -5.418 1.00 13.10 H new ATOM 0 HB ILE A 56 5.692 -0.694 -5.348 1.00 1.03 H new ATOM 0 HG12 ILE A 56 5.107 -2.362 -3.672 1.00 34.51 H new ATOM 0 HG13 ILE A 56 5.437 -0.820 -2.909 1.00 34.51 H new ATOM 0 HG21 ILE A 56 4.979 1.304 -4.102 1.00 14.04 H new ATOM 0 HG22 ILE A 56 4.323 1.282 -5.756 1.00 14.04 H new ATOM 0 HG23 ILE A 56 3.277 0.862 -4.379 1.00 14.04 H new ATOM 0 HD11 ILE A 56 3.492 -1.901 -1.893 1.00 32.31 H new ATOM 0 HD12 ILE A 56 3.014 -0.389 -2.700 1.00 32.31 H new ATOM 0 HD13 ILE A 56 2.679 -1.956 -3.475 1.00 32.31 H new ATOM 935 N ASP A 57 4.692 -0.867 -8.015 1.00 63.12 N ATOM 936 CA ASP A 57 4.772 -0.268 -9.341 1.00 65.42 C ATOM 937 C ASP A 57 3.606 -0.727 -10.209 1.00 15.03 C ATOM 938 O ASP A 57 2.995 0.071 -10.920 1.00 75.42 O ATOM 939 CB ASP A 57 6.104 -0.656 -9.990 1.00 24.24 C ATOM 940 CG ASP A 57 6.194 -0.272 -11.453 1.00 53.05 C ATOM 941 OD1 ASP A 57 6.505 0.898 -11.752 1.00 13.00 O ATOM 942 OD2 ASP A 57 5.983 -1.152 -12.314 1.00 4.15 O ATOM 0 H ASP A 57 5.499 -1.441 -7.770 1.00 63.12 H new ATOM 0 HA ASP A 57 4.716 0.817 -9.248 1.00 65.42 H new ATOM 0 HB2 ASP A 57 6.918 -0.178 -9.446 1.00 24.24 H new ATOM 0 HB3 ASP A 57 6.246 -1.732 -9.895 1.00 24.24 H new ATOM 947 N ASP A 58 3.284 -2.011 -10.106 1.00 53.03 N ATOM 948 CA ASP A 58 2.231 -2.624 -10.914 1.00 31.32 C ATOM 949 C ASP A 58 0.858 -2.034 -10.600 1.00 72.11 C ATOM 950 O ASP A 58 0.131 -1.628 -11.507 1.00 60.45 O ATOM 951 CB ASP A 58 2.212 -4.139 -10.687 1.00 72.51 C ATOM 952 CG ASP A 58 1.089 -4.831 -11.432 1.00 0.12 C ATOM 953 OD1 ASP A 58 1.090 -4.800 -12.680 1.00 34.40 O ATOM 954 OD2 ASP A 58 0.219 -5.438 -10.772 1.00 5.42 O ATOM 0 H ASP A 58 3.742 -2.657 -9.463 1.00 53.03 H new ATOM 0 HA ASP A 58 2.452 -2.413 -11.960 1.00 31.32 H new ATOM 0 HB2 ASP A 58 3.166 -4.561 -11.004 1.00 72.51 H new ATOM 0 HB3 ASP A 58 2.112 -4.341 -9.620 1.00 72.51 H new ATOM 959 N VAL A 59 0.505 -1.972 -9.323 1.00 74.14 N ATOM 960 CA VAL A 59 -0.801 -1.458 -8.939 1.00 63.33 C ATOM 961 C VAL A 59 -0.908 0.037 -9.231 1.00 62.23 C ATOM 962 O VAL A 59 -1.936 0.507 -9.716 1.00 73.34 O ATOM 963 CB VAL A 59 -1.132 -1.739 -7.452 1.00 11.05 C ATOM 964 CG1 VAL A 59 -0.138 -1.071 -6.512 1.00 71.32 C ATOM 965 CG2 VAL A 59 -2.554 -1.301 -7.134 1.00 20.13 C ATOM 0 H VAL A 59 1.096 -2.267 -8.546 1.00 74.14 H new ATOM 0 HA VAL A 59 -1.536 -1.990 -9.543 1.00 63.33 H new ATOM 0 HB VAL A 59 -1.051 -2.814 -7.294 1.00 11.05 H new ATOM 0 HG11 VAL A 59 -0.407 -1.294 -5.480 1.00 71.32 H new ATOM 0 HG12 VAL A 59 0.864 -1.448 -6.715 1.00 71.32 H new ATOM 0 HG13 VAL A 59 -0.158 0.008 -6.668 1.00 71.32 H new ATOM 0 HG21 VAL A 59 -2.772 -1.505 -6.086 1.00 20.13 H new ATOM 0 HG22 VAL A 59 -2.657 -0.233 -7.325 1.00 20.13 H new ATOM 0 HG23 VAL A 59 -3.254 -1.851 -7.763 1.00 20.13 H new ATOM 975 N LEU A 60 0.167 0.777 -8.981 1.00 11.13 N ATOM 976 CA LEU A 60 0.153 2.215 -9.191 1.00 43.55 C ATOM 977 C LEU A 60 0.005 2.558 -10.666 1.00 12.14 C ATOM 978 O LEU A 60 -0.793 3.418 -11.018 1.00 32.42 O ATOM 979 CB LEU A 60 1.411 2.870 -8.621 1.00 13.25 C ATOM 980 CG LEU A 60 1.549 2.787 -7.099 1.00 62.45 C ATOM 981 CD1 LEU A 60 2.799 3.516 -6.643 1.00 73.42 C ATOM 982 CD2 LEU A 60 0.319 3.357 -6.409 1.00 20.42 C ATOM 0 H LEU A 60 1.052 0.406 -8.635 1.00 11.13 H new ATOM 0 HA LEU A 60 -0.713 2.610 -8.659 1.00 43.55 H new ATOM 0 HB2 LEU A 60 2.284 2.403 -9.076 1.00 13.25 H new ATOM 0 HB3 LEU A 60 1.421 3.919 -8.915 1.00 13.25 H new ATOM 0 HG LEU A 60 1.635 1.736 -6.821 1.00 62.45 H new ATOM 0 HD11 LEU A 60 2.884 3.449 -5.558 1.00 73.42 H new ATOM 0 HD12 LEU A 60 3.675 3.060 -7.105 1.00 73.42 H new ATOM 0 HD13 LEU A 60 2.737 4.564 -6.938 1.00 73.42 H new ATOM 0 HD21 LEU A 60 0.442 3.286 -5.328 1.00 20.42 H new ATOM 0 HD22 LEU A 60 0.195 4.402 -6.692 1.00 20.42 H new ATOM 0 HD23 LEU A 60 -0.563 2.792 -6.711 1.00 20.42 H new ATOM 994 N LYS A 61 0.749 1.882 -11.532 1.00 21.42 N ATOM 995 CA LYS A 61 0.655 2.152 -12.964 1.00 23.45 C ATOM 996 C LYS A 61 -0.752 1.840 -13.476 1.00 64.22 C ATOM 997 O LYS A 61 -1.239 2.470 -14.417 1.00 35.40 O ATOM 998 CB LYS A 61 1.743 1.400 -13.755 1.00 44.44 C ATOM 999 CG LYS A 61 1.709 -0.119 -13.661 1.00 52.44 C ATOM 1000 CD LYS A 61 0.775 -0.734 -14.688 1.00 5.31 C ATOM 1001 CE LYS A 61 0.935 -2.242 -14.746 1.00 4.01 C ATOM 1002 NZ LYS A 61 0.059 -2.853 -15.776 1.00 43.33 N ATOM 0 H LYS A 61 1.415 1.153 -11.275 1.00 21.42 H new ATOM 0 HA LYS A 61 0.836 3.215 -13.125 1.00 23.45 H new ATOM 0 HB2 LYS A 61 1.660 1.681 -14.805 1.00 44.44 H new ATOM 0 HB3 LYS A 61 2.718 1.744 -13.409 1.00 44.44 H new ATOM 0 HG2 LYS A 61 2.715 -0.513 -13.805 1.00 52.44 H new ATOM 0 HG3 LYS A 61 1.391 -0.413 -12.661 1.00 52.44 H new ATOM 0 HD2 LYS A 61 -0.257 -0.485 -14.440 1.00 5.31 H new ATOM 0 HD3 LYS A 61 0.979 -0.307 -15.670 1.00 5.31 H new ATOM 0 HE2 LYS A 61 1.975 -2.489 -14.961 1.00 4.01 H new ATOM 0 HE3 LYS A 61 0.701 -2.669 -13.771 1.00 4.01 H new ATOM 0 HZ1 LYS A 61 0.198 -3.884 -15.783 1.00 43.33 H new ATOM 0 HZ2 LYS A 61 -0.935 -2.640 -15.557 1.00 43.33 H new ATOM 0 HZ3 LYS A 61 0.299 -2.465 -16.710 1.00 43.33 H new ATOM 1016 N ALA A 62 -1.402 0.864 -12.847 1.00 23.11 N ATOM 1017 CA ALA A 62 -2.775 0.517 -13.183 1.00 3.51 C ATOM 1018 C ALA A 62 -3.749 1.595 -12.705 1.00 33.22 C ATOM 1019 O ALA A 62 -4.637 2.021 -13.451 1.00 63.32 O ATOM 1020 CB ALA A 62 -3.139 -0.834 -12.581 1.00 60.21 C ATOM 0 H ALA A 62 -0.996 0.300 -12.100 1.00 23.11 H new ATOM 0 HA ALA A 62 -2.853 0.452 -14.268 1.00 3.51 H new ATOM 0 HB1 ALA A 62 -4.168 -1.082 -12.840 1.00 60.21 H new ATOM 0 HB2 ALA A 62 -2.471 -1.600 -12.975 1.00 60.21 H new ATOM 0 HB3 ALA A 62 -3.038 -0.788 -11.497 1.00 60.21 H new ATOM 1026 N VAL A 63 -3.578 2.051 -11.465 1.00 41.04 N ATOM 1027 CA VAL A 63 -4.475 3.050 -10.891 1.00 53.14 C ATOM 1028 C VAL A 63 -4.230 4.435 -11.492 1.00 32.43 C ATOM 1029 O VAL A 63 -5.101 5.301 -11.437 1.00 23.15 O ATOM 1030 CB VAL A 63 -4.379 3.118 -9.347 1.00 24.20 C ATOM 1031 CG1 VAL A 63 -4.749 1.778 -8.729 1.00 0.32 C ATOM 1032 CG2 VAL A 63 -2.997 3.550 -8.888 1.00 15.04 C ATOM 0 H VAL A 63 -2.830 1.746 -10.842 1.00 41.04 H new ATOM 0 HA VAL A 63 -5.485 2.730 -11.146 1.00 53.14 H new ATOM 0 HB VAL A 63 -5.090 3.871 -9.007 1.00 24.20 H new ATOM 0 HG11 VAL A 63 -4.676 1.845 -7.644 1.00 0.32 H new ATOM 0 HG12 VAL A 63 -5.770 1.518 -9.008 1.00 0.32 H new ATOM 0 HG13 VAL A 63 -4.067 1.009 -9.092 1.00 0.32 H new ATOM 0 HG21 VAL A 63 -2.970 3.586 -7.799 1.00 15.04 H new ATOM 0 HG22 VAL A 63 -2.255 2.836 -9.246 1.00 15.04 H new ATOM 0 HG23 VAL A 63 -2.773 4.538 -9.289 1.00 15.04 H new ATOM 1042 N MET A 64 -3.047 4.636 -12.069 1.00 40.32 N ATOM 1043 CA MET A 64 -2.741 5.879 -12.772 1.00 1.34 C ATOM 1044 C MET A 64 -3.644 6.039 -13.989 1.00 2.20 C ATOM 1045 O MET A 64 -4.056 7.146 -14.331 1.00 51.44 O ATOM 1046 CB MET A 64 -1.273 5.918 -13.216 1.00 51.04 C ATOM 1047 CG MET A 64 -0.285 6.111 -12.078 1.00 25.32 C ATOM 1048 SD MET A 64 1.431 6.035 -12.627 1.00 45.35 S ATOM 1049 CE MET A 64 2.301 6.253 -11.076 1.00 73.24 C ATOM 0 H MET A 64 -2.287 3.956 -12.063 1.00 40.32 H new ATOM 0 HA MET A 64 -2.918 6.702 -12.079 1.00 1.34 H new ATOM 0 HB2 MET A 64 -1.037 4.989 -13.734 1.00 51.04 H new ATOM 0 HB3 MET A 64 -1.144 6.726 -13.936 1.00 51.04 H new ATOM 0 HG2 MET A 64 -0.468 7.075 -11.603 1.00 25.32 H new ATOM 0 HG3 MET A 64 -0.454 5.345 -11.321 1.00 25.32 H new ATOM 0 HE1 MET A 64 3.292 5.805 -11.149 1.00 73.24 H new ATOM 0 HE2 MET A 64 2.399 7.317 -10.860 1.00 73.24 H new ATOM 0 HE3 MET A 64 1.742 5.770 -10.274 1.00 73.24 H new ATOM 1059 N LYS A 65 -3.964 4.923 -14.627 1.00 24.44 N ATOM 1060 CA LYS A 65 -4.766 4.936 -15.825 1.00 13.11 C ATOM 1061 C LYS A 65 -6.251 4.973 -15.468 1.00 71.44 C ATOM 1062 O LYS A 65 -6.993 5.833 -15.943 1.00 0.14 O ATOM 1063 CB LYS A 65 -4.414 3.696 -16.666 1.00 5.41 C ATOM 1064 CG LYS A 65 -5.116 3.614 -18.013 1.00 63.13 C ATOM 1065 CD LYS A 65 -6.558 3.163 -17.870 1.00 51.34 C ATOM 1066 CE LYS A 65 -6.660 1.704 -17.463 1.00 71.22 C ATOM 1067 NZ LYS A 65 -6.360 0.784 -18.590 1.00 22.25 N ATOM 0 H LYS A 65 -3.674 3.993 -14.326 1.00 24.44 H new ATOM 0 HA LYS A 65 -4.554 5.830 -16.411 1.00 13.11 H new ATOM 0 HB2 LYS A 65 -3.337 3.682 -16.833 1.00 5.41 H new ATOM 0 HB3 LYS A 65 -4.659 2.803 -16.090 1.00 5.41 H new ATOM 0 HG2 LYS A 65 -5.087 4.590 -18.498 1.00 63.13 H new ATOM 0 HG3 LYS A 65 -4.580 2.920 -18.660 1.00 63.13 H new ATOM 0 HD2 LYS A 65 -7.060 3.783 -17.127 1.00 51.34 H new ATOM 0 HD3 LYS A 65 -7.080 3.313 -18.815 1.00 51.34 H new ATOM 0 HE2 LYS A 65 -5.969 1.508 -16.643 1.00 71.22 H new ATOM 0 HE3 LYS A 65 -7.664 1.502 -17.089 1.00 71.22 H new ATOM 0 HZ1 LYS A 65 -6.491 -0.200 -18.279 1.00 22.25 H new ATOM 0 HZ2 LYS A 65 -7.002 0.985 -19.383 1.00 22.25 H new ATOM 0 HZ3 LYS A 65 -5.376 0.921 -18.898 1.00 22.25 H new ATOM 1081 N ARG A 66 -6.676 4.042 -14.620 1.00 13.12 N ATOM 1082 CA ARG A 66 -8.098 3.878 -14.318 1.00 13.43 C ATOM 1083 C ARG A 66 -8.628 4.994 -13.420 1.00 34.15 C ATOM 1084 O ARG A 66 -9.816 5.323 -13.460 1.00 63.41 O ATOM 1085 CB ARG A 66 -8.356 2.518 -13.665 1.00 54.34 C ATOM 1086 CG ARG A 66 -7.726 2.363 -12.292 1.00 23.22 C ATOM 1087 CD ARG A 66 -8.027 1.001 -11.695 1.00 63.33 C ATOM 1088 NE ARG A 66 -7.417 -0.086 -12.461 1.00 33.14 N ATOM 1089 CZ ARG A 66 -7.875 -1.335 -12.466 1.00 60.32 C ATOM 1090 NH1 ARG A 66 -9.020 -1.629 -11.864 1.00 44.34 N ATOM 1091 NH2 ARG A 66 -7.218 -2.277 -13.123 1.00 5.52 N ATOM 0 H ARG A 66 -6.061 3.391 -14.131 1.00 13.12 H new ATOM 0 HA ARG A 66 -8.633 3.932 -15.266 1.00 13.43 H new ATOM 0 HB2 ARG A 66 -9.432 2.366 -13.579 1.00 54.34 H new ATOM 0 HB3 ARG A 66 -7.974 1.734 -14.319 1.00 54.34 H new ATOM 0 HG2 ARG A 66 -6.647 2.498 -12.368 1.00 23.22 H new ATOM 0 HG3 ARG A 66 -8.099 3.143 -11.629 1.00 23.22 H new ATOM 0 HD2 ARG A 66 -7.663 0.968 -10.668 1.00 63.33 H new ATOM 0 HD3 ARG A 66 -9.106 0.854 -11.656 1.00 63.33 H new ATOM 0 HE ARG A 66 -6.593 0.126 -13.024 1.00 33.14 H new ATOM 0 HH11 ARG A 66 -9.553 -0.896 -11.395 1.00 44.34 H new ATOM 0 HH12 ARG A 66 -9.368 -2.588 -11.870 1.00 44.34 H new ATOM 0 HH21 ARG A 66 -6.361 -2.045 -13.625 1.00 5.52 H new ATOM 0 HH22 ARG A 66 -7.569 -3.235 -13.127 1.00 5.52 H new ATOM 1105 N GLY A 67 -7.754 5.563 -12.607 1.00 21.11 N ATOM 1106 CA GLY A 67 -8.168 6.616 -11.706 1.00 42.51 C ATOM 1107 C GLY A 67 -7.455 7.916 -11.996 1.00 20.41 C ATOM 1108 O GLY A 67 -8.011 8.802 -12.645 1.00 21.50 O ATOM 0 H GLY A 67 -6.766 5.315 -12.555 1.00 21.11 H new ATOM 0 HA2 GLY A 67 -9.244 6.765 -11.791 1.00 42.51 H new ATOM 0 HA3 GLY A 67 -7.969 6.314 -10.678 1.00 42.51 H new ATOM 1112 N ALA A 68 -6.217 8.016 -11.526 1.00 33.31 N ATOM 1113 CA ALA A 68 -5.385 9.193 -11.742 1.00 52.05 C ATOM 1114 C ALA A 68 -3.993 8.956 -11.176 1.00 63.23 C ATOM 1115 O ALA A 68 -3.845 8.296 -10.146 1.00 33.53 O ATOM 1116 CB ALA A 68 -6.001 10.426 -11.088 1.00 72.14 C ATOM 0 H ALA A 68 -5.761 7.282 -10.984 1.00 33.31 H new ATOM 0 HA ALA A 68 -5.318 9.369 -12.816 1.00 52.05 H new ATOM 0 HB1 ALA A 68 -5.360 11.290 -11.264 1.00 72.14 H new ATOM 0 HB2 ALA A 68 -6.986 10.611 -11.516 1.00 72.14 H new ATOM 0 HB3 ALA A 68 -6.098 10.259 -10.015 1.00 72.14 H new ATOM 1122 N PRO A 69 -2.951 9.486 -11.834 1.00 1.24 N ATOM 1123 CA PRO A 69 -1.579 9.409 -11.326 1.00 54.44 C ATOM 1124 C PRO A 69 -1.442 10.136 -9.992 1.00 2.42 C ATOM 1125 O PRO A 69 -0.632 9.760 -9.143 1.00 52.34 O ATOM 1126 CB PRO A 69 -0.744 10.095 -12.412 1.00 3.43 C ATOM 1127 CG PRO A 69 -1.715 10.918 -13.188 1.00 4.15 C ATOM 1128 CD PRO A 69 -3.023 10.185 -13.128 1.00 1.50 C ATOM 0 HA PRO A 69 -1.262 8.383 -11.136 1.00 54.44 H new ATOM 0 HB2 PRO A 69 0.038 10.716 -11.975 1.00 3.43 H new ATOM 0 HB3 PRO A 69 -0.250 9.363 -13.050 1.00 3.43 H new ATOM 0 HG2 PRO A 69 -1.808 11.917 -12.761 1.00 4.15 H new ATOM 0 HG3 PRO A 69 -1.384 11.042 -14.219 1.00 4.15 H new ATOM 0 HD2 PRO A 69 -3.871 10.868 -13.171 1.00 1.50 H new ATOM 0 HD3 PRO A 69 -3.133 9.487 -13.958 1.00 1.50 H new ATOM 1136 N SER A 70 -2.272 11.157 -9.807 1.00 0.21 N ATOM 1137 CA SER A 70 -2.298 11.935 -8.577 1.00 11.33 C ATOM 1138 C SER A 70 -2.609 11.036 -7.380 1.00 53.01 C ATOM 1139 O SER A 70 -2.036 11.194 -6.300 1.00 53.25 O ATOM 1140 CB SER A 70 -3.356 13.030 -8.708 1.00 23.22 C ATOM 1141 OG SER A 70 -3.388 13.538 -10.033 1.00 35.12 O ATOM 0 H SER A 70 -2.946 11.467 -10.507 1.00 0.21 H new ATOM 0 HA SER A 70 -1.320 12.387 -8.412 1.00 11.33 H new ATOM 0 HB2 SER A 70 -4.335 12.631 -8.442 1.00 23.22 H new ATOM 0 HB3 SER A 70 -3.140 13.837 -8.008 1.00 23.22 H new ATOM 0 HG SER A 70 -4.072 14.237 -10.099 1.00 35.12 H new ATOM 1147 N ILE A 71 -3.500 10.071 -7.595 1.00 3.22 N ATOM 1148 CA ILE A 71 -3.882 9.128 -6.552 1.00 52.23 C ATOM 1149 C ILE A 71 -2.696 8.243 -6.189 1.00 22.10 C ATOM 1150 O ILE A 71 -2.460 7.941 -5.017 1.00 40.25 O ATOM 1151 CB ILE A 71 -5.067 8.242 -6.999 1.00 42.04 C ATOM 1152 CG1 ILE A 71 -6.263 9.111 -7.404 1.00 73.11 C ATOM 1153 CG2 ILE A 71 -5.465 7.279 -5.887 1.00 60.34 C ATOM 1154 CD1 ILE A 71 -7.439 8.320 -7.939 1.00 40.35 C ATOM 0 H ILE A 71 -3.972 9.923 -8.487 1.00 3.22 H new ATOM 0 HA ILE A 71 -4.193 9.704 -5.681 1.00 52.23 H new ATOM 0 HB ILE A 71 -4.752 7.659 -7.865 1.00 42.04 H new ATOM 0 HG12 ILE A 71 -6.589 9.690 -6.540 1.00 73.11 H new ATOM 0 HG13 ILE A 71 -5.942 9.825 -8.163 1.00 73.11 H new ATOM 0 HG21 ILE A 71 -6.301 6.664 -6.220 1.00 60.34 H new ATOM 0 HG22 ILE A 71 -4.618 6.638 -5.640 1.00 60.34 H new ATOM 0 HG23 ILE A 71 -5.761 7.845 -5.004 1.00 60.34 H new ATOM 0 HD11 ILE A 71 -8.246 9.003 -8.204 1.00 40.35 H new ATOM 0 HD12 ILE A 71 -7.130 7.762 -8.823 1.00 40.35 H new ATOM 0 HD13 ILE A 71 -7.788 7.625 -7.175 1.00 40.35 H new ATOM 1166 N ALA A 72 -1.940 7.850 -7.203 1.00 60.31 N ATOM 1167 CA ALA A 72 -0.769 7.010 -7.005 1.00 11.41 C ATOM 1168 C ALA A 72 0.286 7.738 -6.181 1.00 3.31 C ATOM 1169 O ALA A 72 0.869 7.166 -5.262 1.00 1.00 O ATOM 1170 CB ALA A 72 -0.198 6.573 -8.342 1.00 45.32 C ATOM 0 H ALA A 72 -2.118 8.101 -8.176 1.00 60.31 H new ATOM 0 HA ALA A 72 -1.074 6.121 -6.453 1.00 11.41 H new ATOM 0 HB1 ALA A 72 0.678 5.945 -8.176 1.00 45.32 H new ATOM 0 HB2 ALA A 72 -0.951 6.008 -8.892 1.00 45.32 H new ATOM 0 HB3 ALA A 72 0.090 7.452 -8.919 1.00 45.32 H new ATOM 1176 N ASN A 73 0.513 9.005 -6.506 1.00 12.30 N ATOM 1177 CA ASN A 73 1.469 9.826 -5.774 1.00 12.24 C ATOM 1178 C ASN A 73 1.038 9.990 -4.318 1.00 52.24 C ATOM 1179 O ASN A 73 1.860 9.916 -3.401 1.00 35.33 O ATOM 1180 CB ASN A 73 1.610 11.195 -6.450 1.00 60.14 C ATOM 1181 CG ASN A 73 2.356 12.204 -5.594 1.00 35.12 C ATOM 1182 OD1 ASN A 73 3.586 12.260 -5.602 1.00 3.12 O ATOM 1183 ND2 ASN A 73 1.613 13.021 -4.861 1.00 41.52 N ATOM 0 H ASN A 73 0.046 9.487 -7.274 1.00 12.30 H new ATOM 0 HA ASN A 73 2.437 9.326 -5.786 1.00 12.24 H new ATOM 0 HB2 ASN A 73 2.133 11.074 -7.399 1.00 60.14 H new ATOM 0 HB3 ASN A 73 0.618 11.584 -6.680 1.00 60.14 H new ATOM 0 HD21 ASN A 73 2.058 13.728 -4.276 1.00 41.52 H new ATOM 0 HD22 ASN A 73 0.596 12.943 -4.882 1.00 41.52 H new ATOM 1190 N ASP A 74 -0.256 10.195 -4.115 1.00 43.24 N ATOM 1191 CA ASP A 74 -0.814 10.349 -2.776 1.00 12.42 C ATOM 1192 C ASP A 74 -0.663 9.063 -1.967 1.00 22.32 C ATOM 1193 O ASP A 74 -0.319 9.094 -0.787 1.00 31.13 O ATOM 1194 CB ASP A 74 -2.293 10.732 -2.860 1.00 12.12 C ATOM 1195 CG ASP A 74 -2.951 10.797 -1.497 1.00 0.10 C ATOM 1196 OD1 ASP A 74 -2.927 11.878 -0.868 1.00 44.32 O ATOM 1197 OD2 ASP A 74 -3.490 9.769 -1.042 1.00 2.04 O ATOM 0 H ASP A 74 -0.944 10.259 -4.865 1.00 43.24 H new ATOM 0 HA ASP A 74 -0.262 11.142 -2.272 1.00 12.42 H new ATOM 0 HB2 ASP A 74 -2.387 11.700 -3.353 1.00 12.12 H new ATOM 0 HB3 ASP A 74 -2.819 10.006 -3.480 1.00 12.12 H new ATOM 1202 N THR A 75 -0.917 7.939 -2.616 1.00 71.14 N ATOM 1203 CA THR A 75 -0.857 6.644 -1.960 1.00 21.11 C ATOM 1204 C THR A 75 0.587 6.229 -1.673 1.00 15.11 C ATOM 1205 O THR A 75 0.858 5.565 -0.674 1.00 2.11 O ATOM 1206 CB THR A 75 -1.560 5.570 -2.817 1.00 0.03 C ATOM 1207 OG1 THR A 75 -2.872 6.030 -3.173 1.00 44.24 O ATOM 1208 CG2 THR A 75 -1.672 4.247 -2.068 1.00 4.54 C ATOM 0 H THR A 75 -1.168 7.898 -3.604 1.00 71.14 H new ATOM 0 HA THR A 75 -1.378 6.732 -1.006 1.00 21.11 H new ATOM 0 HB THR A 75 -0.963 5.403 -3.713 1.00 0.03 H new ATOM 0 HG1 THR A 75 -2.799 6.737 -3.848 1.00 44.24 H new ATOM 0 HG21 THR A 75 -2.172 3.513 -2.700 1.00 4.54 H new ATOM 0 HG22 THR A 75 -0.675 3.888 -1.813 1.00 4.54 H new ATOM 0 HG23 THR A 75 -2.249 4.393 -1.155 1.00 4.54 H new ATOM 1216 N LEU A 76 1.511 6.645 -2.537 1.00 25.25 N ATOM 1217 CA LEU A 76 2.914 6.264 -2.411 1.00 42.21 C ATOM 1218 C LEU A 76 3.465 6.554 -1.023 1.00 73.23 C ATOM 1219 O LEU A 76 4.043 5.671 -0.394 1.00 40.53 O ATOM 1220 CB LEU A 76 3.767 6.980 -3.457 1.00 51.52 C ATOM 1221 CG LEU A 76 4.209 6.105 -4.624 1.00 75.34 C ATOM 1222 CD1 LEU A 76 5.064 6.897 -5.598 1.00 4.53 C ATOM 1223 CD2 LEU A 76 4.968 4.890 -4.113 1.00 42.24 C ATOM 0 H LEU A 76 1.311 7.248 -3.335 1.00 25.25 H new ATOM 0 HA LEU A 76 2.962 5.188 -2.576 1.00 42.21 H new ATOM 0 HB2 LEU A 76 3.203 7.827 -3.848 1.00 51.52 H new ATOM 0 HB3 LEU A 76 4.653 7.385 -2.968 1.00 51.52 H new ATOM 0 HG LEU A 76 3.320 5.763 -5.154 1.00 75.34 H new ATOM 0 HD11 LEU A 76 5.368 6.252 -6.423 1.00 4.53 H new ATOM 0 HD12 LEU A 76 4.489 7.737 -5.987 1.00 4.53 H new ATOM 0 HD13 LEU A 76 5.950 7.271 -5.084 1.00 4.53 H new ATOM 0 HD21 LEU A 76 5.278 4.273 -4.957 1.00 42.24 H new ATOM 0 HD22 LEU A 76 5.848 5.217 -3.560 1.00 42.24 H new ATOM 0 HD23 LEU A 76 4.322 4.308 -3.456 1.00 42.24 H new ATOM 1235 N ARG A 77 3.285 7.781 -0.551 1.00 54.34 N ATOM 1236 CA ARG A 77 3.783 8.179 0.768 1.00 52.04 C ATOM 1237 C ARG A 77 3.193 7.311 1.878 1.00 64.31 C ATOM 1238 O ARG A 77 3.874 6.990 2.850 1.00 32.53 O ATOM 1239 CB ARG A 77 3.496 9.660 1.037 1.00 60.53 C ATOM 1240 CG ARG A 77 2.047 10.055 0.824 1.00 61.44 C ATOM 1241 CD ARG A 77 1.835 11.537 1.068 1.00 14.23 C ATOM 1242 NE ARG A 77 0.529 11.992 0.598 1.00 32.41 N ATOM 1243 CZ ARG A 77 0.317 13.195 0.068 1.00 44.15 C ATOM 1244 NH1 ARG A 77 1.321 14.058 -0.037 1.00 41.01 N ATOM 1245 NH2 ARG A 77 -0.886 13.535 -0.365 1.00 63.31 N ATOM 0 H ARG A 77 2.799 8.520 -1.058 1.00 54.34 H new ATOM 0 HA ARG A 77 4.863 8.029 0.766 1.00 52.04 H new ATOM 0 HB2 ARG A 77 3.779 9.894 2.063 1.00 60.53 H new ATOM 0 HB3 ARG A 77 4.127 10.266 0.387 1.00 60.53 H new ATOM 0 HG2 ARG A 77 1.746 9.806 -0.194 1.00 61.44 H new ATOM 0 HG3 ARG A 77 1.409 9.479 1.495 1.00 61.44 H new ATOM 0 HD2 ARG A 77 1.928 11.745 2.134 1.00 14.23 H new ATOM 0 HD3 ARG A 77 2.618 12.102 0.563 1.00 14.23 H new ATOM 0 HE ARG A 77 -0.263 11.354 0.680 1.00 32.41 H new ATOM 0 HH11 ARG A 77 2.252 13.799 0.288 1.00 41.01 H new ATOM 0 HH12 ARG A 77 1.161 14.980 -0.443 1.00 41.01 H new ATOM 0 HH21 ARG A 77 -1.659 12.874 -0.294 1.00 63.31 H new ATOM 0 HH22 ARG A 77 -1.040 14.458 -0.770 1.00 63.31 H new ATOM 1259 N TRP A 78 1.940 6.906 1.712 1.00 13.13 N ATOM 1260 CA TRP A 78 1.270 6.051 2.686 1.00 3.43 C ATOM 1261 C TRP A 78 1.913 4.664 2.693 1.00 60.24 C ATOM 1262 O TRP A 78 2.041 4.028 3.737 1.00 3.04 O ATOM 1263 CB TRP A 78 -0.221 5.955 2.337 1.00 41.34 C ATOM 1264 CG TRP A 78 -1.043 5.161 3.312 1.00 40.22 C ATOM 1265 CD1 TRP A 78 -1.335 3.827 3.245 1.00 71.43 C ATOM 1266 CD2 TRP A 78 -1.697 5.655 4.487 1.00 2.03 C ATOM 1267 NE1 TRP A 78 -2.123 3.462 4.311 1.00 31.42 N ATOM 1268 CE2 TRP A 78 -2.361 4.567 5.086 1.00 13.30 C ATOM 1269 CE3 TRP A 78 -1.784 6.912 5.094 1.00 22.11 C ATOM 1270 CZ2 TRP A 78 -3.099 4.699 6.260 1.00 13.31 C ATOM 1271 CZ3 TRP A 78 -2.519 7.042 6.256 1.00 53.52 C ATOM 1272 CH2 TRP A 78 -3.168 5.941 6.830 1.00 0.34 C ATOM 0 H TRP A 78 1.364 7.157 0.908 1.00 13.13 H new ATOM 0 HA TRP A 78 1.373 6.480 3.683 1.00 3.43 H new ATOM 0 HB2 TRP A 78 -0.631 6.963 2.273 1.00 41.34 H new ATOM 0 HB3 TRP A 78 -0.321 5.507 1.348 1.00 41.34 H new ATOM 0 HD1 TRP A 78 -0.996 3.158 2.468 1.00 71.43 H new ATOM 0 HE1 TRP A 78 -2.473 2.522 4.495 1.00 31.42 H new ATOM 0 HE3 TRP A 78 -1.285 7.766 4.661 1.00 22.11 H new ATOM 0 HZ2 TRP A 78 -3.599 3.851 6.705 1.00 13.31 H new ATOM 0 HZ3 TRP A 78 -2.595 8.009 6.730 1.00 53.52 H new ATOM 0 HH2 TRP A 78 -3.734 6.075 7.740 1.00 0.34 H new ATOM 1283 N LEU A 79 2.349 4.230 1.516 1.00 64.33 N ATOM 1284 CA LEU A 79 2.911 2.896 1.330 1.00 22.43 C ATOM 1285 C LEU A 79 4.181 2.676 2.154 1.00 34.41 C ATOM 1286 O LEU A 79 4.299 1.660 2.839 1.00 41.01 O ATOM 1287 CB LEU A 79 3.203 2.658 -0.150 1.00 33.34 C ATOM 1288 CG LEU A 79 1.978 2.701 -1.063 1.00 33.30 C ATOM 1289 CD1 LEU A 79 2.389 2.656 -2.523 1.00 64.53 C ATOM 1290 CD2 LEU A 79 1.038 1.551 -0.747 1.00 64.41 C ATOM 0 H LEU A 79 2.323 4.791 0.665 1.00 64.33 H new ATOM 0 HA LEU A 79 2.169 2.180 1.683 1.00 22.43 H new ATOM 0 HB2 LEU A 79 3.917 3.408 -0.489 1.00 33.34 H new ATOM 0 HB3 LEU A 79 3.685 1.686 -0.259 1.00 33.34 H new ATOM 0 HG LEU A 79 1.456 3.640 -0.882 1.00 33.30 H new ATOM 0 HD11 LEU A 79 1.500 2.688 -3.152 1.00 64.53 H new ATOM 0 HD12 LEU A 79 3.024 3.513 -2.749 1.00 64.53 H new ATOM 0 HD13 LEU A 79 2.939 1.735 -2.718 1.00 64.53 H new ATOM 0 HD21 LEU A 79 0.172 1.598 -1.407 1.00 64.41 H new ATOM 0 HD22 LEU A 79 1.558 0.605 -0.897 1.00 64.41 H new ATOM 0 HD23 LEU A 79 0.709 1.624 0.290 1.00 64.41 H new ATOM 1302 N LYS A 80 5.130 3.614 2.087 1.00 3.55 N ATOM 1303 CA LYS A 80 6.385 3.465 2.837 1.00 64.34 C ATOM 1304 C LYS A 80 6.079 3.338 4.316 1.00 0.12 C ATOM 1305 O LYS A 80 6.508 2.393 4.971 1.00 61.12 O ATOM 1306 CB LYS A 80 7.338 4.652 2.657 1.00 24.33 C ATOM 1307 CG LYS A 80 7.565 5.101 1.228 1.00 51.22 C ATOM 1308 CD LYS A 80 6.587 6.192 0.856 1.00 11.40 C ATOM 1309 CE LYS A 80 7.114 7.060 -0.266 1.00 72.43 C ATOM 1310 NZ LYS A 80 7.235 6.323 -1.556 1.00 44.31 N ATOM 0 H LYS A 80 5.059 4.468 1.534 1.00 3.55 H new ATOM 0 HA LYS A 80 6.874 2.573 2.445 1.00 64.34 H new ATOM 0 HB2 LYS A 80 6.949 5.496 3.226 1.00 24.33 H new ATOM 0 HB3 LYS A 80 8.302 4.390 3.094 1.00 24.33 H new ATOM 0 HG2 LYS A 80 8.586 5.464 1.112 1.00 51.22 H new ATOM 0 HG3 LYS A 80 7.449 4.254 0.551 1.00 51.22 H new ATOM 0 HD2 LYS A 80 5.640 5.744 0.555 1.00 11.40 H new ATOM 0 HD3 LYS A 80 6.383 6.811 1.730 1.00 11.40 H new ATOM 0 HE2 LYS A 80 6.450 7.914 -0.401 1.00 72.43 H new ATOM 0 HE3 LYS A 80 8.090 7.456 0.014 1.00 72.43 H new ATOM 0 HZ1 LYS A 80 7.648 6.949 -2.276 1.00 44.31 H new ATOM 0 HZ2 LYS A 80 7.849 5.494 -1.426 1.00 44.31 H new ATOM 0 HZ3 LYS A 80 6.293 6.011 -1.867 1.00 44.31 H new ATOM 1324 N ARG A 81 5.335 4.312 4.815 1.00 35.14 N ATOM 1325 CA ARG A 81 4.923 4.344 6.221 1.00 0.51 C ATOM 1326 C ARG A 81 4.256 3.036 6.637 1.00 73.15 C ATOM 1327 O ARG A 81 4.567 2.477 7.691 1.00 54.22 O ATOM 1328 CB ARG A 81 3.939 5.483 6.446 1.00 42.05 C ATOM 1329 CG ARG A 81 4.414 6.817 5.916 1.00 31.13 C ATOM 1330 CD ARG A 81 3.311 7.851 5.991 1.00 52.23 C ATOM 1331 NE ARG A 81 2.980 8.205 7.369 1.00 0.02 N ATOM 1332 CZ ARG A 81 2.031 9.076 7.707 1.00 0.02 C ATOM 1333 NH1 ARG A 81 1.329 9.701 6.770 1.00 11.03 N ATOM 1334 NH2 ARG A 81 1.791 9.333 8.984 1.00 14.05 N ATOM 0 H ARG A 81 4.998 5.102 4.265 1.00 35.14 H new ATOM 0 HA ARG A 81 5.820 4.490 6.823 1.00 0.51 H new ATOM 0 HB2 ARG A 81 2.991 5.231 5.970 1.00 42.05 H new ATOM 0 HB3 ARG A 81 3.744 5.576 7.514 1.00 42.05 H new ATOM 0 HG2 ARG A 81 5.275 7.156 6.492 1.00 31.13 H new ATOM 0 HG3 ARG A 81 4.744 6.706 4.883 1.00 31.13 H new ATOM 0 HD2 ARG A 81 3.618 8.747 5.451 1.00 52.23 H new ATOM 0 HD3 ARG A 81 2.421 7.467 5.492 1.00 52.23 H new ATOM 0 HE ARG A 81 3.508 7.758 8.118 1.00 0.02 H new ATOM 0 HH11 ARG A 81 1.515 9.515 5.784 1.00 11.03 H new ATOM 0 HH12 ARG A 81 0.603 10.367 7.035 1.00 11.03 H new ATOM 0 HH21 ARG A 81 2.333 8.864 9.709 1.00 14.05 H new ATOM 0 HH22 ARG A 81 1.064 10.000 9.242 1.00 14.05 H new ATOM 1348 N MET A 82 3.322 2.574 5.816 1.00 62.23 N ATOM 1349 CA MET A 82 2.606 1.326 6.080 1.00 0.40 C ATOM 1350 C MET A 82 3.566 0.146 6.232 1.00 2.20 C ATOM 1351 O MET A 82 3.500 -0.591 7.217 1.00 31.32 O ATOM 1352 CB MET A 82 1.605 1.038 4.958 1.00 74.34 C ATOM 1353 CG MET A 82 0.805 -0.242 5.162 1.00 13.10 C ATOM 1354 SD MET A 82 -0.348 -0.563 3.814 1.00 22.32 S ATOM 1355 CE MET A 82 0.786 -0.726 2.438 1.00 52.33 C ATOM 0 H MET A 82 3.039 3.045 4.957 1.00 62.23 H new ATOM 0 HA MET A 82 2.070 1.450 7.021 1.00 0.40 H new ATOM 0 HB2 MET A 82 0.915 1.878 4.875 1.00 74.34 H new ATOM 0 HB3 MET A 82 2.143 0.973 4.012 1.00 74.34 H new ATOM 0 HG2 MET A 82 1.491 -1.084 5.256 1.00 13.10 H new ATOM 0 HG3 MET A 82 0.253 -0.175 6.099 1.00 13.10 H new ATOM 0 HE1 MET A 82 0.518 -1.602 1.848 1.00 52.33 H new ATOM 0 HE2 MET A 82 0.729 0.165 1.812 1.00 52.33 H new ATOM 0 HE3 MET A 82 1.802 -0.840 2.816 1.00 52.33 H new ATOM 1365 N PHE A 83 4.464 -0.025 5.264 1.00 3.41 N ATOM 1366 CA PHE A 83 5.428 -1.124 5.303 1.00 43.13 C ATOM 1367 C PHE A 83 6.441 -0.921 6.421 1.00 52.13 C ATOM 1368 O PHE A 83 6.983 -1.882 6.962 1.00 73.41 O ATOM 1369 CB PHE A 83 6.159 -1.266 3.964 1.00 3.22 C ATOM 1370 CG PHE A 83 5.293 -1.777 2.850 1.00 24.31 C ATOM 1371 CD1 PHE A 83 4.687 -3.018 2.944 1.00 21.11 C ATOM 1372 CD2 PHE A 83 5.094 -1.023 1.707 1.00 2.44 C ATOM 1373 CE1 PHE A 83 3.894 -3.496 1.921 1.00 11.11 C ATOM 1374 CE2 PHE A 83 4.300 -1.496 0.679 1.00 4.41 C ATOM 1375 CZ PHE A 83 3.699 -2.735 0.786 1.00 42.11 C ATOM 0 H PHE A 83 4.545 0.580 4.447 1.00 3.41 H new ATOM 0 HA PHE A 83 4.869 -2.040 5.495 1.00 43.13 H new ATOM 0 HB2 PHE A 83 6.566 -0.296 3.679 1.00 3.22 H new ATOM 0 HB3 PHE A 83 7.005 -1.941 4.093 1.00 3.22 H new ATOM 0 HD1 PHE A 83 4.837 -3.619 3.829 1.00 21.11 H new ATOM 0 HD2 PHE A 83 5.564 -0.055 1.617 1.00 2.44 H new ATOM 0 HE1 PHE A 83 3.426 -4.465 2.008 1.00 11.11 H new ATOM 0 HE2 PHE A 83 4.150 -0.897 -0.207 1.00 4.41 H new ATOM 0 HZ PHE A 83 3.078 -3.107 -0.016 1.00 42.11 H new ATOM 1385 N ASN A 84 6.675 0.337 6.776 1.00 73.41 N ATOM 1386 CA ASN A 84 7.643 0.694 7.810 1.00 24.25 C ATOM 1387 C ASN A 84 7.299 0.028 9.142 1.00 14.02 C ATOM 1388 O ASN A 84 8.171 -0.186 9.978 1.00 14.23 O ATOM 1389 CB ASN A 84 7.698 2.218 7.973 1.00 12.22 C ATOM 1390 CG ASN A 84 8.783 2.678 8.930 1.00 34.44 C ATOM 1391 OD1 ASN A 84 9.930 2.886 8.532 1.00 32.14 O ATOM 1392 ND2 ASN A 84 8.425 2.863 10.192 1.00 63.44 N ATOM 0 H ASN A 84 6.201 1.137 6.357 1.00 73.41 H new ATOM 0 HA ASN A 84 8.624 0.333 7.499 1.00 24.25 H new ATOM 0 HB2 ASN A 84 7.865 2.675 6.998 1.00 12.22 H new ATOM 0 HB3 ASN A 84 6.732 2.574 8.331 1.00 12.22 H new ATOM 0 HD21 ASN A 84 9.110 3.189 10.874 1.00 63.44 H new ATOM 0 HD22 ASN A 84 7.464 2.679 10.482 1.00 63.44 H new ATOM 1399 N TYR A 85 6.025 -0.306 9.330 1.00 43.15 N ATOM 1400 CA TYR A 85 5.587 -1.026 10.523 1.00 22.10 C ATOM 1401 C TYR A 85 6.300 -2.374 10.613 1.00 33.43 C ATOM 1402 O TYR A 85 6.717 -2.799 11.691 1.00 54.31 O ATOM 1403 CB TYR A 85 4.059 -1.222 10.491 1.00 54.32 C ATOM 1404 CG TYR A 85 3.473 -1.930 11.703 1.00 40.24 C ATOM 1405 CD1 TYR A 85 3.517 -3.316 11.818 1.00 4.32 C ATOM 1406 CD2 TYR A 85 2.861 -1.210 12.724 1.00 45.32 C ATOM 1407 CE1 TYR A 85 2.974 -3.963 12.911 1.00 51.42 C ATOM 1408 CE2 TYR A 85 2.316 -1.851 13.824 1.00 1.42 C ATOM 1409 CZ TYR A 85 2.374 -3.227 13.913 1.00 72.34 C ATOM 1410 OH TYR A 85 1.832 -3.872 15.002 1.00 54.33 O ATOM 0 H TYR A 85 5.277 -0.089 8.671 1.00 43.15 H new ATOM 0 HA TYR A 85 5.842 -0.440 11.406 1.00 22.10 H new ATOM 0 HB2 TYR A 85 3.585 -0.245 10.396 1.00 54.32 H new ATOM 0 HB3 TYR A 85 3.800 -1.790 9.598 1.00 54.32 H new ATOM 0 HD1 TYR A 85 3.985 -3.897 11.037 1.00 4.32 H new ATOM 0 HD2 TYR A 85 2.810 -0.133 12.658 1.00 45.32 H new ATOM 0 HE1 TYR A 85 3.019 -5.040 12.981 1.00 51.42 H new ATOM 0 HE2 TYR A 85 1.847 -1.276 14.609 1.00 1.42 H new ATOM 0 HH TYR A 85 0.863 -3.724 15.021 1.00 54.33 H new ATOM 1420 N ALA A 86 6.469 -3.024 9.469 1.00 21.13 N ATOM 1421 CA ALA A 86 7.129 -4.318 9.421 1.00 73.53 C ATOM 1422 C ALA A 86 8.636 -4.155 9.573 1.00 73.14 C ATOM 1423 O ALA A 86 9.306 -5.019 10.138 1.00 33.11 O ATOM 1424 CB ALA A 86 6.792 -5.037 8.128 1.00 72.52 C ATOM 0 H ALA A 86 6.157 -2.675 8.563 1.00 21.13 H new ATOM 0 HA ALA A 86 6.767 -4.923 10.252 1.00 73.53 H new ATOM 0 HB1 ALA A 86 7.294 -6.004 8.108 1.00 72.52 H new ATOM 0 HB2 ALA A 86 5.714 -5.186 8.065 1.00 72.52 H new ATOM 0 HB3 ALA A 86 7.125 -4.438 7.281 1.00 72.52 H new ATOM 1430 N ILE A 87 9.160 -3.038 9.078 1.00 1.20 N ATOM 1431 CA ILE A 87 10.580 -2.730 9.215 1.00 21.43 C ATOM 1432 C ILE A 87 10.911 -2.367 10.663 1.00 53.42 C ATOM 1433 O ILE A 87 11.925 -2.809 11.203 1.00 15.44 O ATOM 1434 CB ILE A 87 11.033 -1.582 8.265 1.00 33.22 C ATOM 1435 CG1 ILE A 87 11.164 -2.074 6.815 1.00 5.40 C ATOM 1436 CG2 ILE A 87 12.357 -0.976 8.717 1.00 24.13 C ATOM 1437 CD1 ILE A 87 9.857 -2.413 6.138 1.00 52.02 C ATOM 0 H ILE A 87 8.622 -2.330 8.578 1.00 1.20 H new ATOM 0 HA ILE A 87 11.128 -3.628 8.929 1.00 21.43 H new ATOM 0 HB ILE A 87 10.261 -0.814 8.308 1.00 33.22 H new ATOM 0 HG12 ILE A 87 11.671 -1.306 6.231 1.00 5.40 H new ATOM 0 HG13 ILE A 87 11.803 -2.957 6.803 1.00 5.40 H new ATOM 0 HG21 ILE A 87 12.644 -0.178 8.032 1.00 24.13 H new ATOM 0 HG22 ILE A 87 12.247 -0.570 9.722 1.00 24.13 H new ATOM 0 HG23 ILE A 87 13.128 -1.747 8.720 1.00 24.13 H new ATOM 0 HD11 ILE A 87 10.051 -2.750 5.120 1.00 52.02 H new ATOM 0 HD12 ILE A 87 9.355 -3.205 6.693 1.00 52.02 H new ATOM 0 HD13 ILE A 87 9.221 -1.528 6.112 1.00 52.02 H new ATOM 1449 N LYS A 88 10.041 -1.586 11.302 1.00 72.21 N ATOM 1450 CA LYS A 88 10.283 -1.149 12.673 1.00 54.02 C ATOM 1451 C LYS A 88 10.095 -2.298 13.660 1.00 43.12 C ATOM 1452 O LYS A 88 10.584 -2.246 14.786 1.00 45.42 O ATOM 1453 CB LYS A 88 9.399 0.050 13.045 1.00 25.21 C ATOM 1454 CG LYS A 88 7.923 -0.264 13.220 1.00 13.00 C ATOM 1455 CD LYS A 88 7.125 1.012 13.444 1.00 60.24 C ATOM 1456 CE LYS A 88 5.674 0.722 13.791 1.00 32.40 C ATOM 1457 NZ LYS A 88 4.860 1.966 13.836 1.00 74.12 N ATOM 0 H LYS A 88 9.170 -1.246 10.895 1.00 72.21 H new ATOM 0 HA LYS A 88 11.321 -0.823 12.734 1.00 54.02 H new ATOM 0 HB2 LYS A 88 9.774 0.484 13.972 1.00 25.21 H new ATOM 0 HB3 LYS A 88 9.503 0.811 12.272 1.00 25.21 H new ATOM 0 HG2 LYS A 88 7.549 -0.782 12.337 1.00 13.00 H new ATOM 0 HG3 LYS A 88 7.787 -0.937 14.066 1.00 13.00 H new ATOM 0 HD2 LYS A 88 7.582 1.589 14.248 1.00 60.24 H new ATOM 0 HD3 LYS A 88 7.167 1.628 12.546 1.00 60.24 H new ATOM 0 HE2 LYS A 88 5.253 0.038 13.054 1.00 32.40 H new ATOM 0 HE3 LYS A 88 5.624 0.219 14.757 1.00 32.40 H new ATOM 0 HZ1 LYS A 88 3.876 1.729 14.076 1.00 74.12 H new ATOM 0 HZ2 LYS A 88 5.247 2.608 14.557 1.00 74.12 H new ATOM 0 HZ3 LYS A 88 4.887 2.432 12.907 1.00 74.12 H new ATOM 1471 N ARG A 89 9.388 -3.338 13.234 1.00 21.54 N ATOM 1472 CA ARG A 89 9.255 -4.550 14.036 1.00 11.40 C ATOM 1473 C ARG A 89 10.327 -5.553 13.606 1.00 60.44 C ATOM 1474 O ARG A 89 10.478 -6.627 14.188 1.00 0.14 O ATOM 1475 CB ARG A 89 7.855 -5.145 13.855 1.00 61.52 C ATOM 1476 CG ARG A 89 7.471 -6.171 14.910 1.00 3.14 C ATOM 1477 CD ARG A 89 7.431 -5.557 16.304 1.00 3.12 C ATOM 1478 NE ARG A 89 6.866 -6.474 17.293 1.00 14.51 N ATOM 1479 CZ ARG A 89 7.333 -6.617 18.536 1.00 44.23 C ATOM 1480 NH1 ARG A 89 8.371 -5.899 18.954 1.00 64.43 N ATOM 1481 NH2 ARG A 89 6.756 -7.479 19.364 1.00 55.23 N ATOM 0 H ARG A 89 8.899 -3.367 12.340 1.00 21.54 H new ATOM 0 HA ARG A 89 9.391 -4.312 15.091 1.00 11.40 H new ATOM 0 HB2 ARG A 89 7.124 -4.336 13.868 1.00 61.52 H new ATOM 0 HB3 ARG A 89 7.795 -5.612 12.872 1.00 61.52 H new ATOM 0 HG2 ARG A 89 6.495 -6.592 14.670 1.00 3.14 H new ATOM 0 HG3 ARG A 89 8.186 -6.994 14.895 1.00 3.14 H new ATOM 0 HD2 ARG A 89 8.440 -5.277 16.605 1.00 3.12 H new ATOM 0 HD3 ARG A 89 6.840 -4.642 16.280 1.00 3.12 H new ATOM 0 HE ARG A 89 6.064 -7.040 17.016 1.00 14.51 H new ATOM 0 HH11 ARG A 89 8.817 -5.233 18.324 1.00 64.43 H new ATOM 0 HH12 ARG A 89 8.721 -6.015 19.905 1.00 64.43 H new ATOM 0 HH21 ARG A 89 5.957 -8.031 19.051 1.00 55.23 H new ATOM 0 HH22 ARG A 89 7.111 -7.590 20.314 1.00 55.23 H new ATOM 1495 N HIS A 90 11.058 -5.163 12.564 1.00 74.25 N ATOM 1496 CA HIS A 90 12.149 -5.947 11.981 1.00 33.20 C ATOM 1497 C HIS A 90 11.671 -7.311 11.499 1.00 63.43 C ATOM 1498 O HIS A 90 12.435 -8.276 11.469 1.00 41.35 O ATOM 1499 CB HIS A 90 13.318 -6.099 12.956 1.00 3.52 C ATOM 1500 CG HIS A 90 14.639 -6.221 12.251 1.00 23.42 C ATOM 1501 ND1 HIS A 90 15.435 -7.345 12.300 1.00 33.24 N ATOM 1502 CD2 HIS A 90 15.292 -5.338 11.459 1.00 44.35 C ATOM 1503 CE1 HIS A 90 16.522 -7.145 11.574 1.00 12.34 C ATOM 1504 NE2 HIS A 90 16.458 -5.934 11.052 1.00 63.13 N ATOM 0 H HIS A 90 10.906 -4.273 12.089 1.00 74.25 H new ATOM 0 HA HIS A 90 12.505 -5.392 11.113 1.00 33.20 H new ATOM 0 HB2 HIS A 90 13.344 -5.239 13.625 1.00 3.52 H new ATOM 0 HB3 HIS A 90 13.158 -6.980 13.577 1.00 3.52 H new ATOM 0 HD2 HIS A 90 14.956 -4.346 11.196 1.00 44.35 H new ATOM 0 HE1 HIS A 90 17.326 -7.852 11.432 1.00 12.34 H new ATOM 0 HE2 HIS A 90 17.161 -5.511 10.445 1.00 63.13 H new ATOM 1513 N ILE A 91 10.413 -7.374 11.093 1.00 34.50 N ATOM 1514 CA ILE A 91 9.876 -8.578 10.476 1.00 4.32 C ATOM 1515 C ILE A 91 10.500 -8.725 9.099 1.00 31.41 C ATOM 1516 O ILE A 91 10.978 -9.793 8.718 1.00 54.44 O ATOM 1517 CB ILE A 91 8.336 -8.530 10.346 1.00 21.25 C ATOM 1518 CG1 ILE A 91 7.690 -8.319 11.722 1.00 64.55 C ATOM 1519 CG2 ILE A 91 7.817 -9.812 9.703 1.00 52.23 C ATOM 1520 CD1 ILE A 91 6.180 -8.208 11.679 1.00 43.15 C ATOM 0 H ILE A 91 9.745 -6.608 11.179 1.00 34.50 H new ATOM 0 HA ILE A 91 10.118 -9.431 11.111 1.00 4.32 H new ATOM 0 HB ILE A 91 8.067 -7.690 9.706 1.00 21.25 H new ATOM 0 HG12 ILE A 91 7.965 -9.149 12.373 1.00 64.55 H new ATOM 0 HG13 ILE A 91 8.099 -7.413 12.170 1.00 64.55 H new ATOM 0 HG21 ILE A 91 6.731 -9.763 9.618 1.00 52.23 H new ATOM 0 HG22 ILE A 91 8.254 -9.924 8.711 1.00 52.23 H new ATOM 0 HG23 ILE A 91 8.095 -10.667 10.320 1.00 52.23 H new ATOM 0 HD11 ILE A 91 5.797 -8.060 12.689 1.00 43.15 H new ATOM 0 HD12 ILE A 91 5.895 -7.361 11.055 1.00 43.15 H new ATOM 0 HD13 ILE A 91 5.760 -9.123 11.262 1.00 43.15 H new ATOM 1532 N ILE A 92 10.514 -7.620 8.374 1.00 1.42 N ATOM 1533 CA ILE A 92 11.204 -7.537 7.104 1.00 15.43 C ATOM 1534 C ILE A 92 12.128 -6.330 7.128 1.00 42.04 C ATOM 1535 O ILE A 92 11.904 -5.385 7.886 1.00 41.14 O ATOM 1536 CB ILE A 92 10.232 -7.406 5.904 1.00 14.43 C ATOM 1537 CG1 ILE A 92 9.444 -6.097 5.983 1.00 13.50 C ATOM 1538 CG2 ILE A 92 9.282 -8.593 5.848 1.00 74.31 C ATOM 1539 CD1 ILE A 92 8.576 -5.834 4.770 1.00 4.40 C ATOM 0 H ILE A 92 10.047 -6.757 8.651 1.00 1.42 H new ATOM 0 HA ILE A 92 11.763 -8.463 6.970 1.00 15.43 H new ATOM 0 HB ILE A 92 10.826 -7.395 4.990 1.00 14.43 H new ATOM 0 HG12 ILE A 92 8.814 -6.116 6.872 1.00 13.50 H new ATOM 0 HG13 ILE A 92 10.143 -5.269 6.105 1.00 13.50 H new ATOM 0 HG21 ILE A 92 8.609 -8.480 4.998 1.00 74.31 H new ATOM 0 HG22 ILE A 92 9.856 -9.513 5.737 1.00 74.31 H new ATOM 0 HG23 ILE A 92 8.700 -8.637 6.769 1.00 74.31 H new ATOM 0 HD11 ILE A 92 8.048 -4.889 4.898 1.00 4.40 H new ATOM 0 HD12 ILE A 92 9.202 -5.782 3.879 1.00 4.40 H new ATOM 0 HD13 ILE A 92 7.852 -6.641 4.658 1.00 4.40 H new ATOM 1551 N GLU A 93 13.174 -6.366 6.323 1.00 42.51 N ATOM 1552 CA GLU A 93 14.081 -5.237 6.215 1.00 73.51 C ATOM 1553 C GLU A 93 14.116 -4.769 4.765 1.00 73.54 C ATOM 1554 O GLU A 93 15.130 -4.282 4.259 1.00 40.11 O ATOM 1555 CB GLU A 93 15.472 -5.633 6.710 1.00 2.32 C ATOM 1556 CG GLU A 93 16.364 -4.445 7.031 1.00 74.31 C ATOM 1557 CD GLU A 93 17.669 -4.858 7.673 1.00 2.44 C ATOM 1558 OE1 GLU A 93 18.583 -5.292 6.942 1.00 3.51 O ATOM 1559 OE2 GLU A 93 17.785 -4.748 8.913 1.00 52.21 O ATOM 0 H GLU A 93 13.417 -7.163 5.735 1.00 42.51 H new ATOM 0 HA GLU A 93 13.733 -4.414 6.839 1.00 73.51 H new ATOM 0 HB2 GLU A 93 15.369 -6.251 7.602 1.00 2.32 H new ATOM 0 HB3 GLU A 93 15.957 -6.247 5.951 1.00 2.32 H new ATOM 0 HG2 GLU A 93 16.572 -3.893 6.114 1.00 74.31 H new ATOM 0 HG3 GLU A 93 15.833 -3.766 7.698 1.00 74.31 H new ATOM 1566 N TYR A 94 12.977 -4.929 4.106 1.00 11.42 N ATOM 1567 CA TYR A 94 12.820 -4.546 2.712 1.00 22.21 C ATOM 1568 C TYR A 94 11.639 -3.591 2.594 1.00 32.30 C ATOM 1569 O TYR A 94 10.509 -3.962 2.899 1.00 73.21 O ATOM 1570 CB TYR A 94 12.568 -5.783 1.838 1.00 53.13 C ATOM 1571 CG TYR A 94 13.440 -6.971 2.181 1.00 3.12 C ATOM 1572 CD1 TYR A 94 14.697 -7.130 1.610 1.00 21.21 C ATOM 1573 CD2 TYR A 94 13.002 -7.934 3.082 1.00 0.32 C ATOM 1574 CE1 TYR A 94 15.491 -8.215 1.928 1.00 25.35 C ATOM 1575 CE2 TYR A 94 13.790 -9.020 3.404 1.00 12.15 C ATOM 1576 CZ TYR A 94 15.033 -9.156 2.824 1.00 1.21 C ATOM 1577 OH TYR A 94 15.822 -10.234 3.148 1.00 61.42 O ATOM 0 H TYR A 94 12.136 -5.328 4.524 1.00 11.42 H new ATOM 0 HA TYR A 94 13.734 -4.060 2.369 1.00 22.21 H new ATOM 0 HB2 TYR A 94 11.522 -6.074 1.933 1.00 53.13 H new ATOM 0 HB3 TYR A 94 12.731 -5.516 0.794 1.00 53.13 H new ATOM 0 HD1 TYR A 94 15.059 -6.394 0.907 1.00 21.21 H new ATOM 0 HD2 TYR A 94 12.028 -7.831 3.538 1.00 0.32 H new ATOM 0 HE1 TYR A 94 16.466 -8.325 1.476 1.00 25.35 H new ATOM 0 HE2 TYR A 94 13.435 -9.759 4.107 1.00 12.15 H new ATOM 0 HH TYR A 94 15.351 -10.801 3.794 1.00 61.42 H new ATOM 1587 N ASN A 95 11.899 -2.359 2.184 1.00 53.23 N ATOM 1588 CA ASN A 95 10.852 -1.371 2.038 1.00 3.14 C ATOM 1589 C ASN A 95 10.662 -1.039 0.555 1.00 5.42 C ATOM 1590 O ASN A 95 11.266 -0.097 0.044 1.00 20.32 O ATOM 1591 CB ASN A 95 11.210 -0.108 2.830 1.00 3.00 C ATOM 1592 CG ASN A 95 9.992 0.701 3.229 1.00 25.40 C ATOM 1593 OD1 ASN A 95 9.970 1.337 4.283 1.00 2.34 O ATOM 1594 ND2 ASN A 95 8.962 0.669 2.404 1.00 64.51 N ATOM 0 H ASN A 95 12.832 -2.023 1.947 1.00 53.23 H new ATOM 0 HA ASN A 95 9.918 -1.772 2.431 1.00 3.14 H new ATOM 0 HB2 ASN A 95 11.762 -0.391 3.726 1.00 3.00 H new ATOM 0 HB3 ASN A 95 11.874 0.515 2.231 1.00 3.00 H new ATOM 0 HD21 ASN A 95 8.111 1.183 2.631 1.00 64.51 H new ATOM 0 HD22 ASN A 95 9.018 0.131 1.539 1.00 64.51 H new ATOM 1601 N PRO A 96 9.829 -1.821 -0.157 1.00 11.21 N ATOM 1602 CA PRO A 96 9.651 -1.688 -1.611 1.00 12.00 C ATOM 1603 C PRO A 96 9.195 -0.291 -2.022 1.00 33.21 C ATOM 1604 O PRO A 96 9.682 0.275 -3.002 1.00 22.33 O ATOM 1605 CB PRO A 96 8.564 -2.722 -1.949 1.00 55.25 C ATOM 1606 CG PRO A 96 7.925 -3.066 -0.648 1.00 72.23 C ATOM 1607 CD PRO A 96 8.990 -2.895 0.396 1.00 73.14 C ATOM 0 HA PRO A 96 10.590 -1.850 -2.141 1.00 12.00 H new ATOM 0 HB2 PRO A 96 7.835 -2.311 -2.648 1.00 55.25 H new ATOM 0 HB3 PRO A 96 8.995 -3.605 -2.420 1.00 55.25 H new ATOM 0 HG2 PRO A 96 7.074 -2.415 -0.447 1.00 72.23 H new ATOM 0 HG3 PRO A 96 7.548 -4.089 -0.657 1.00 72.23 H new ATOM 0 HD2 PRO A 96 8.567 -2.619 1.362 1.00 73.14 H new ATOM 0 HD3 PRO A 96 9.558 -3.813 0.547 1.00 73.14 H new ATOM 1615 N ALA A 97 8.271 0.271 -1.253 1.00 75.33 N ATOM 1616 CA ALA A 97 7.687 1.566 -1.574 1.00 0.04 C ATOM 1617 C ALA A 97 8.629 2.723 -1.242 1.00 35.13 C ATOM 1618 O ALA A 97 8.380 3.862 -1.633 1.00 32.33 O ATOM 1619 CB ALA A 97 6.372 1.733 -0.840 1.00 20.33 C ATOM 0 H ALA A 97 7.909 -0.153 -0.399 1.00 75.33 H new ATOM 0 HA ALA A 97 7.513 1.592 -2.650 1.00 0.04 H new ATOM 0 HB1 ALA A 97 5.940 2.703 -1.084 1.00 20.33 H new ATOM 0 HB2 ALA A 97 5.684 0.943 -1.142 1.00 20.33 H new ATOM 0 HB3 ALA A 97 6.545 1.673 0.235 1.00 20.33 H new ATOM 1625 N ALA A 98 9.700 2.434 -0.516 1.00 13.21 N ATOM 1626 CA ALA A 98 10.666 3.463 -0.152 1.00 31.20 C ATOM 1627 C ALA A 98 11.568 3.784 -1.333 1.00 73.23 C ATOM 1628 O ALA A 98 12.042 4.910 -1.480 1.00 2.33 O ATOM 1629 CB ALA A 98 11.493 3.028 1.044 1.00 14.11 C ATOM 0 H ALA A 98 9.922 1.501 -0.169 1.00 13.21 H new ATOM 0 HA ALA A 98 10.118 4.364 0.123 1.00 31.20 H new ATOM 0 HB1 ALA A 98 12.207 3.812 1.297 1.00 14.11 H new ATOM 0 HB2 ALA A 98 10.836 2.847 1.895 1.00 14.11 H new ATOM 0 HB3 ALA A 98 12.031 2.112 0.800 1.00 14.11 H new ATOM 1635 N ALA A 99 11.796 2.784 -2.175 1.00 1.11 N ATOM 1636 CA ALA A 99 12.615 2.959 -3.363 1.00 13.03 C ATOM 1637 C ALA A 99 11.809 3.610 -4.481 1.00 3.00 C ATOM 1638 O ALA A 99 12.333 4.416 -5.252 1.00 44.01 O ATOM 1639 CB ALA A 99 13.175 1.622 -3.822 1.00 41.55 C ATOM 0 H ALA A 99 11.423 1.842 -2.055 1.00 1.11 H new ATOM 0 HA ALA A 99 13.447 3.617 -3.112 1.00 13.03 H new ATOM 0 HB1 ALA A 99 13.786 1.770 -4.712 1.00 41.55 H new ATOM 0 HB2 ALA A 99 13.787 1.192 -3.029 1.00 41.55 H new ATOM 0 HB3 ALA A 99 12.354 0.944 -4.054 1.00 41.55 H new ATOM 1645 N PHE A 100 10.529 3.262 -4.561 1.00 5.13 N ATOM 1646 CA PHE A 100 9.661 3.806 -5.593 1.00 54.55 C ATOM 1647 C PHE A 100 9.202 5.207 -5.209 1.00 40.24 C ATOM 1648 O PHE A 100 8.228 5.365 -4.473 1.00 24.53 O ATOM 1649 CB PHE A 100 8.448 2.903 -5.826 1.00 0.04 C ATOM 1650 CG PHE A 100 7.739 3.187 -7.120 1.00 13.24 C ATOM 1651 CD1 PHE A 100 8.196 2.633 -8.304 1.00 2.11 C ATOM 1652 CD2 PHE A 100 6.623 4.007 -7.156 1.00 2.40 C ATOM 1653 CE1 PHE A 100 7.555 2.890 -9.499 1.00 13.11 C ATOM 1654 CE2 PHE A 100 5.975 4.268 -8.349 1.00 22.12 C ATOM 1655 CZ PHE A 100 6.442 3.709 -9.522 1.00 3.35 C ATOM 0 H PHE A 100 10.073 2.608 -3.925 1.00 5.13 H new ATOM 0 HA PHE A 100 10.231 3.857 -6.521 1.00 54.55 H new ATOM 0 HB2 PHE A 100 8.771 1.862 -5.817 1.00 0.04 H new ATOM 0 HB3 PHE A 100 7.747 3.027 -5.000 1.00 0.04 H new ATOM 0 HD1 PHE A 100 9.065 1.992 -8.292 1.00 2.11 H new ATOM 0 HD2 PHE A 100 6.255 4.448 -6.241 1.00 2.40 H new ATOM 0 HE1 PHE A 100 7.923 2.452 -10.415 1.00 13.11 H new ATOM 0 HE2 PHE A 100 5.105 4.908 -8.363 1.00 22.12 H new ATOM 0 HZ PHE A 100 5.938 3.911 -10.456 1.00 3.35 H new ATOM 1665 N ASP A 101 9.952 6.197 -5.686 1.00 34.33 N ATOM 1666 CA ASP A 101 9.656 7.619 -5.479 1.00 62.31 C ATOM 1667 C ASP A 101 9.305 7.941 -4.026 1.00 35.43 C ATOM 1668 O ASP A 101 8.138 7.916 -3.626 1.00 11.13 O ATOM 1669 CB ASP A 101 8.538 8.092 -6.407 1.00 2.31 C ATOM 1670 CG ASP A 101 8.324 9.594 -6.338 1.00 74.55 C ATOM 1671 OD1 ASP A 101 9.328 10.342 -6.371 1.00 72.41 O ATOM 1672 OD2 ASP A 101 7.161 10.035 -6.259 1.00 34.51 O ATOM 0 H ASP A 101 10.796 6.035 -6.236 1.00 34.33 H new ATOM 0 HA ASP A 101 10.571 8.160 -5.722 1.00 62.31 H new ATOM 0 HB2 ASP A 101 8.776 7.809 -7.432 1.00 2.31 H new ATOM 0 HB3 ASP A 101 7.611 7.583 -6.143 1.00 2.31 H new ATOM 1677 N PRO A 102 10.319 8.235 -3.204 1.00 14.43 N ATOM 1678 CA PRO A 102 10.108 8.636 -1.815 1.00 24.14 C ATOM 1679 C PRO A 102 9.520 10.039 -1.717 1.00 0.22 C ATOM 1680 O PRO A 102 8.919 10.401 -0.704 1.00 15.42 O ATOM 1681 CB PRO A 102 11.513 8.593 -1.212 1.00 12.54 C ATOM 1682 CG PRO A 102 12.432 8.795 -2.367 1.00 12.02 C ATOM 1683 CD PRO A 102 11.749 8.185 -3.560 1.00 45.22 C ATOM 0 HA PRO A 102 9.398 7.989 -1.299 1.00 24.14 H new ATOM 0 HB2 PRO A 102 11.645 9.372 -0.461 1.00 12.54 H new ATOM 0 HB3 PRO A 102 11.702 7.640 -0.719 1.00 12.54 H new ATOM 0 HG2 PRO A 102 12.625 9.855 -2.529 1.00 12.02 H new ATOM 0 HG3 PRO A 102 13.396 8.319 -2.185 1.00 12.02 H new ATOM 0 HD2 PRO A 102 11.955 8.747 -4.471 1.00 45.22 H new ATOM 0 HD3 PRO A 102 12.083 7.162 -3.734 1.00 45.22 H new ATOM 1691 N GLY A 103 9.670 10.811 -2.790 1.00 33.14 N ATOM 1692 CA GLY A 103 9.218 12.187 -2.791 1.00 12.20 C ATOM 1693 C GLY A 103 10.031 13.037 -1.840 1.00 14.42 C ATOM 1694 O GLY A 103 11.137 13.466 -2.170 1.00 73.24 O ATOM 0 H GLY A 103 10.099 10.503 -3.663 1.00 33.14 H new ATOM 0 HA2 GLY A 103 9.292 12.595 -3.799 1.00 12.20 H new ATOM 0 HA3 GLY A 103 8.166 12.226 -2.507 1.00 12.20 H new ATOM 1698 N ASP A 104 9.491 13.265 -0.656 1.00 65.42 N ATOM 1699 CA ASP A 104 10.201 13.986 0.387 1.00 74.43 C ATOM 1700 C ASP A 104 9.767 13.474 1.750 1.00 0.02 C ATOM 1701 O ASP A 104 8.602 13.608 2.134 1.00 43.44 O ATOM 1702 CB ASP A 104 9.948 15.490 0.290 1.00 35.52 C ATOM 1703 CG ASP A 104 10.686 16.270 1.361 1.00 75.24 C ATOM 1704 OD1 ASP A 104 11.921 16.421 1.249 1.00 4.12 O ATOM 1705 OD2 ASP A 104 10.034 16.752 2.312 1.00 14.44 O ATOM 0 H ASP A 104 8.555 12.958 -0.391 1.00 65.42 H new ATOM 0 HA ASP A 104 11.269 13.814 0.255 1.00 74.43 H new ATOM 0 HB2 ASP A 104 10.258 15.845 -0.693 1.00 35.52 H new ATOM 0 HB3 ASP A 104 8.879 15.682 0.376 1.00 35.52 H new ATOM 1710 N ALA A 105 10.695 12.862 2.460 1.00 2.45 N ATOM 1711 CA ALA A 105 10.411 12.313 3.771 1.00 13.24 C ATOM 1712 C ALA A 105 11.449 12.779 4.780 1.00 52.42 C ATOM 1713 O ALA A 105 12.603 12.348 4.744 1.00 52.53 O ATOM 1714 CB ALA A 105 10.368 10.792 3.711 1.00 45.25 C ATOM 0 H ALA A 105 11.657 12.732 2.148 1.00 2.45 H new ATOM 0 HA ALA A 105 9.434 12.673 4.093 1.00 13.24 H new ATOM 0 HB1 ALA A 105 10.154 10.395 4.703 1.00 45.25 H new ATOM 0 HB2 ALA A 105 9.588 10.477 3.018 1.00 45.25 H new ATOM 0 HB3 ALA A 105 11.331 10.414 3.369 1.00 45.25 H new ATOM 1720 N GLY A 106 11.041 13.681 5.657 1.00 3.35 N ATOM 1721 CA GLY A 106 11.923 14.149 6.703 1.00 62.33 C ATOM 1722 C GLY A 106 11.698 13.382 7.984 1.00 2.40 C ATOM 1723 O GLY A 106 12.540 13.389 8.884 1.00 0.15 O ATOM 0 H GLY A 106 10.111 14.099 5.663 1.00 3.35 H new ATOM 0 HA2 GLY A 106 12.960 14.038 6.386 1.00 62.33 H new ATOM 0 HA3 GLY A 106 11.755 15.212 6.877 1.00 62.33 H new ATOM 1727 N GLY A 107 10.554 12.718 8.062 1.00 45.11 N ATOM 1728 CA GLY A 107 10.232 11.929 9.228 1.00 53.04 C ATOM 1729 C GLY A 107 9.752 12.791 10.371 1.00 32.42 C ATOM 1730 O GLY A 107 9.956 12.455 11.538 1.00 52.25 O ATOM 0 H GLY A 107 9.841 12.713 7.333 1.00 45.11 H new ATOM 0 HA2 GLY A 107 9.462 11.201 8.973 1.00 53.04 H new ATOM 0 HA3 GLY A 107 11.112 11.367 9.541 1.00 53.04 H new ATOM 1734 N LYS A 108 9.141 13.922 10.035 1.00 55.43 N ATOM 1735 CA LYS A 108 8.599 14.813 11.030 1.00 41.41 C ATOM 1736 C LYS A 108 7.387 14.195 11.707 1.00 55.22 C ATOM 1737 O LYS A 108 6.314 14.072 11.114 1.00 2.31 O ATOM 1738 CB LYS A 108 8.222 16.159 10.414 1.00 33.44 C ATOM 1739 CG LYS A 108 7.660 17.124 11.437 1.00 52.14 C ATOM 1740 CD LYS A 108 8.590 17.236 12.629 1.00 42.12 C ATOM 1741 CE LYS A 108 9.793 18.102 12.317 1.00 73.12 C ATOM 1742 NZ LYS A 108 9.478 19.550 12.443 1.00 12.42 N ATOM 0 H LYS A 108 9.013 14.236 9.073 1.00 55.43 H new ATOM 0 HA LYS A 108 9.372 14.979 11.780 1.00 41.41 H new ATOM 0 HB2 LYS A 108 9.102 16.601 9.946 1.00 33.44 H new ATOM 0 HB3 LYS A 108 7.487 16.001 9.625 1.00 33.44 H new ATOM 0 HG2 LYS A 108 7.522 18.105 10.983 1.00 52.14 H new ATOM 0 HG3 LYS A 108 6.678 16.784 11.765 1.00 52.14 H new ATOM 0 HD2 LYS A 108 8.048 17.656 13.476 1.00 42.12 H new ATOM 0 HD3 LYS A 108 8.924 16.242 12.926 1.00 42.12 H new ATOM 0 HE2 LYS A 108 10.609 17.847 12.993 1.00 73.12 H new ATOM 0 HE3 LYS A 108 10.140 17.892 11.305 1.00 73.12 H new ATOM 0 HZ1 LYS A 108 10.326 20.110 12.222 1.00 12.42 H new ATOM 0 HZ2 LYS A 108 8.716 19.798 11.780 1.00 12.42 H new ATOM 0 HZ3 LYS A 108 9.171 19.755 13.415 1.00 12.42 H new ATOM 1756 N LEU A 109 7.579 13.790 12.943 1.00 22.53 N ATOM 1757 CA LEU A 109 6.496 13.317 13.773 1.00 64.22 C ATOM 1758 C LEU A 109 6.620 13.994 15.127 1.00 20.15 C ATOM 1759 O LEU A 109 7.627 13.820 15.817 1.00 73.23 O ATOM 1760 CB LEU A 109 6.559 11.787 13.907 1.00 1.25 C ATOM 1761 CG LEU A 109 5.226 11.076 14.186 1.00 20.13 C ATOM 1762 CD1 LEU A 109 5.391 9.572 14.037 1.00 54.24 C ATOM 1763 CD2 LEU A 109 4.701 11.404 15.575 1.00 73.34 C ATOM 0 H LEU A 109 8.491 13.780 13.400 1.00 22.53 H new ATOM 0 HA LEU A 109 5.532 13.562 13.327 1.00 64.22 H new ATOM 0 HB2 LEU A 109 6.979 11.379 12.987 1.00 1.25 H new ATOM 0 HB3 LEU A 109 7.253 11.542 14.711 1.00 1.25 H new ATOM 0 HG LEU A 109 4.500 11.434 13.456 1.00 20.13 H new ATOM 0 HD11 LEU A 109 4.439 9.080 14.237 1.00 54.24 H new ATOM 0 HD12 LEU A 109 5.713 9.340 13.022 1.00 54.24 H new ATOM 0 HD13 LEU A 109 6.139 9.216 14.745 1.00 54.24 H new ATOM 0 HD21 LEU A 109 3.757 10.885 15.739 1.00 73.34 H new ATOM 0 HD22 LEU A 109 5.426 11.084 16.323 1.00 73.34 H new ATOM 0 HD23 LEU A 109 4.543 12.479 15.660 1.00 73.34 H new ATOM 1775 N GLU A 110 5.624 14.803 15.475 1.00 12.42 N ATOM 1776 CA GLU A 110 5.620 15.524 16.744 1.00 31.12 C ATOM 1777 C GLU A 110 5.915 14.580 17.901 1.00 2.14 C ATOM 1778 O GLU A 110 5.554 13.406 17.858 1.00 3.40 O ATOM 1779 CB GLU A 110 4.276 16.225 16.967 1.00 34.23 C ATOM 1780 CG GLU A 110 4.070 17.472 16.114 1.00 55.31 C ATOM 1781 CD GLU A 110 4.084 17.187 14.627 1.00 73.33 C ATOM 1782 OE1 GLU A 110 3.322 16.300 14.185 1.00 42.12 O ATOM 1783 OE2 GLU A 110 4.853 17.842 13.897 1.00 71.41 O ATOM 0 H GLU A 110 4.805 14.976 14.892 1.00 12.42 H new ATOM 0 HA GLU A 110 6.404 16.280 16.702 1.00 31.12 H new ATOM 0 HB2 GLU A 110 3.472 15.519 16.758 1.00 34.23 H new ATOM 0 HB3 GLU A 110 4.193 16.500 18.018 1.00 34.23 H new ATOM 0 HG2 GLU A 110 3.119 17.933 16.380 1.00 55.31 H new ATOM 0 HG3 GLU A 110 4.851 18.196 16.346 1.00 55.31 H new ATOM 1790 N HIS A 111 6.567 15.104 18.931 1.00 14.51 N ATOM 1791 CA HIS A 111 7.074 14.280 20.022 1.00 61.43 C ATOM 1792 C HIS A 111 5.945 13.610 20.794 1.00 0.44 C ATOM 1793 O HIS A 111 5.404 14.160 21.754 1.00 52.02 O ATOM 1794 CB HIS A 111 7.954 15.101 20.963 1.00 52.33 C ATOM 1795 CG HIS A 111 9.214 15.592 20.317 1.00 11.03 C ATOM 1796 ND1 HIS A 111 9.597 16.916 20.320 1.00 55.15 N ATOM 1797 CD2 HIS A 111 10.182 14.925 19.645 1.00 73.15 C ATOM 1798 CE1 HIS A 111 10.744 17.041 19.676 1.00 15.24 C ATOM 1799 NE2 HIS A 111 11.120 15.847 19.258 1.00 33.41 N ATOM 0 H HIS A 111 6.758 16.101 19.034 1.00 14.51 H new ATOM 0 HA HIS A 111 7.683 13.493 19.577 1.00 61.43 H new ATOM 0 HB2 HIS A 111 7.385 15.955 21.329 1.00 52.33 H new ATOM 0 HB3 HIS A 111 8.211 14.494 21.831 1.00 52.33 H new ATOM 0 HD2 HIS A 111 10.210 13.863 19.450 1.00 73.15 H new ATOM 0 HE1 HIS A 111 11.283 17.964 19.518 1.00 15.24 H new ATOM 0 HE2 HIS A 111 11.970 15.643 18.733 1.00 33.41 H new ATOM 1808 N HIS A 112 5.604 12.417 20.351 1.00 20.30 N ATOM 1809 CA HIS A 112 4.565 11.618 20.971 1.00 40.24 C ATOM 1810 C HIS A 112 5.222 10.456 21.707 1.00 60.21 C ATOM 1811 O HIS A 112 4.806 9.306 21.597 1.00 2.01 O ATOM 1812 CB HIS A 112 3.586 11.113 19.900 1.00 2.51 C ATOM 1813 CG HIS A 112 2.327 10.509 20.450 1.00 2.40 C ATOM 1814 ND1 HIS A 112 2.056 9.160 20.398 1.00 22.20 N ATOM 1815 CD2 HIS A 112 1.252 11.081 21.045 1.00 61.34 C ATOM 1816 CE1 HIS A 112 0.875 8.927 20.934 1.00 71.34 C ATOM 1817 NE2 HIS A 112 0.365 10.075 21.333 1.00 21.22 N ATOM 0 H HIS A 112 6.043 11.971 19.545 1.00 20.30 H new ATOM 0 HA HIS A 112 3.998 12.217 21.684 1.00 40.24 H new ATOM 0 HB2 HIS A 112 3.321 11.944 19.246 1.00 2.51 H new ATOM 0 HB3 HIS A 112 4.092 10.370 19.283 1.00 2.51 H new ATOM 0 HD2 HIS A 112 1.119 12.132 21.253 1.00 61.34 H new ATOM 0 HE1 HIS A 112 0.405 7.960 21.030 1.00 71.34 H new ATOM 0 HE2 HIS A 112 -0.542 10.196 21.783 1.00 21.22 H new ATOM 1826 N HIS A 113 6.257 10.786 22.474 1.00 34.12 N ATOM 1827 CA HIS A 113 7.037 9.793 23.220 1.00 14.52 C ATOM 1828 C HIS A 113 6.290 9.329 24.471 1.00 63.22 C ATOM 1829 O HIS A 113 6.891 8.832 25.423 1.00 45.43 O ATOM 1830 CB HIS A 113 8.413 10.364 23.605 1.00 51.33 C ATOM 1831 CG HIS A 113 8.361 11.566 24.505 1.00 41.02 C ATOM 1832 ND1 HIS A 113 8.742 11.538 25.827 1.00 24.42 N ATOM 1833 CD2 HIS A 113 7.984 12.841 24.255 1.00 32.33 C ATOM 1834 CE1 HIS A 113 8.596 12.739 26.353 1.00 54.12 C ATOM 1835 NE2 HIS A 113 8.137 13.548 25.417 1.00 14.23 N ATOM 0 H HIS A 113 6.581 11.745 22.598 1.00 34.12 H new ATOM 0 HA HIS A 113 7.183 8.930 22.571 1.00 14.52 H new ATOM 0 HB2 HIS A 113 8.991 9.582 24.097 1.00 51.33 H new ATOM 0 HB3 HIS A 113 8.949 10.631 22.694 1.00 51.33 H new ATOM 0 HD2 HIS A 113 7.628 13.229 23.312 1.00 32.33 H new ATOM 0 HE1 HIS A 113 8.815 13.013 27.375 1.00 54.12 H new ATOM 0 HE2 HIS A 113 7.930 14.539 25.540 1.00 14.23 H new ATOM 1844 N HIS A 114 4.980 9.491 24.450 1.00 44.55 N ATOM 1845 CA HIS A 114 4.124 9.059 25.534 1.00 4.42 C ATOM 1846 C HIS A 114 2.745 8.771 24.961 1.00 54.15 C ATOM 1847 O HIS A 114 2.349 9.405 23.982 1.00 60.53 O ATOM 1848 CB HIS A 114 4.050 10.130 26.626 1.00 15.12 C ATOM 1849 CG HIS A 114 3.575 9.610 27.947 1.00 63.41 C ATOM 1850 ND1 HIS A 114 4.381 8.886 28.794 1.00 44.44 N ATOM 1851 CD2 HIS A 114 2.380 9.714 28.571 1.00 52.22 C ATOM 1852 CE1 HIS A 114 3.705 8.565 29.878 1.00 72.24 C ATOM 1853 NE2 HIS A 114 2.488 9.056 29.768 1.00 62.33 N ATOM 0 H HIS A 114 4.480 9.928 23.676 1.00 44.55 H new ATOM 0 HA HIS A 114 4.529 8.158 25.994 1.00 4.42 H new ATOM 0 HB2 HIS A 114 5.037 10.575 26.754 1.00 15.12 H new ATOM 0 HB3 HIS A 114 3.382 10.926 26.297 1.00 15.12 H new ATOM 0 HD2 HIS A 114 1.503 10.221 28.196 1.00 52.22 H new ATOM 0 HE1 HIS A 114 4.084 7.996 30.714 1.00 72.24 H new ATOM 0 HE2 HIS A 114 1.746 8.962 30.462 1.00 62.33 H new ATOM 1862 N HIS A 115 2.035 7.824 25.573 1.00 44.54 N ATOM 1863 CA HIS A 115 0.750 7.323 25.062 1.00 75.53 C ATOM 1864 C HIS A 115 0.975 6.387 23.877 1.00 53.45 C ATOM 1865 O HIS A 115 1.731 6.692 22.956 1.00 72.25 O ATOM 1866 CB HIS A 115 -0.217 8.454 24.669 1.00 43.33 C ATOM 1867 CG HIS A 115 -0.756 9.231 25.832 1.00 2.00 C ATOM 1868 ND1 HIS A 115 -1.883 8.852 26.527 1.00 32.14 N ATOM 1869 CD2 HIS A 115 -0.323 10.372 26.420 1.00 24.12 C ATOM 1870 CE1 HIS A 115 -2.120 9.722 27.489 1.00 24.42 C ATOM 1871 NE2 HIS A 115 -1.189 10.652 27.446 1.00 11.24 N ATOM 0 H HIS A 115 2.332 7.378 26.441 1.00 44.54 H new ATOM 0 HA HIS A 115 0.282 6.772 25.878 1.00 75.53 H new ATOM 0 HB2 HIS A 115 0.297 9.139 23.995 1.00 43.33 H new ATOM 0 HB3 HIS A 115 -1.052 8.027 24.113 1.00 43.33 H new ATOM 0 HD2 HIS A 115 0.542 10.952 26.134 1.00 24.12 H new ATOM 0 HE1 HIS A 115 -2.938 9.679 28.192 1.00 24.42 H new ATOM 0 HE2 HIS A 115 -1.122 11.452 28.075 1.00 11.24 H new ATOM 1880 N HIS A 116 0.323 5.238 23.918 1.00 51.44 N ATOM 1881 CA HIS A 116 0.491 4.222 22.885 1.00 51.43 C ATOM 1882 C HIS A 116 -0.863 3.726 22.391 1.00 4.41 C ATOM 1883 O HIS A 116 -1.824 3.662 23.161 1.00 2.12 O ATOM 1884 CB HIS A 116 1.329 3.049 23.420 1.00 1.20 C ATOM 1885 CG HIS A 116 0.774 2.412 24.662 1.00 64.55 C ATOM 1886 ND1 HIS A 116 1.138 2.800 25.934 1.00 3.42 N ATOM 1887 CD2 HIS A 116 -0.124 1.414 24.820 1.00 3.03 C ATOM 1888 CE1 HIS A 116 0.488 2.065 26.815 1.00 5.51 C ATOM 1889 NE2 HIS A 116 -0.280 1.220 26.165 1.00 31.21 N ATOM 0 H HIS A 116 -0.331 4.982 24.657 1.00 51.44 H new ATOM 0 HA HIS A 116 1.018 4.672 22.044 1.00 51.43 H new ATOM 0 HB2 HIS A 116 1.411 2.290 22.641 1.00 1.20 H new ATOM 0 HB3 HIS A 116 2.339 3.403 23.627 1.00 1.20 H new ATOM 0 HD2 HIS A 116 -0.625 0.871 24.032 1.00 3.03 H new ATOM 0 HE1 HIS A 116 0.573 2.144 27.889 1.00 5.51 H new ATOM 0 HE2 HIS A 116 -0.895 0.529 26.595 1.00 31.21 H new TER 1898 HIS A 116