USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 882 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 105 SER OG : rot -118:sc= -0.912 USER MOD Set 1.2: A 107 SER OG : rot 180:sc= 0.0582 USER MOD Set 2.1: A 53 HIS : no HE2:sc= -6.33! C(o=-11!,f=-11!) USER MOD Set 2.2: A 95 HIS : no HD1:sc= -4.46! C(o=-11!,f=-11!) USER MOD Set 3.1: A 51 SER OG : rot -91:sc= 1.02 USER MOD Set 3.2: A 52 CYS SG : rot 180:sc= -0.0852 USER MOD Set 4.1: A 41 THR OG1 : rot -84:sc= 1.16 USER MOD Set 4.2: A 43 SER OG : rot 60:sc= 0.833 USER MOD Single : A 3 THR OG1 : rot 38:sc= 0.102 USER MOD Single : A 4 ASN : amide:sc= -2.06! K(o=-2.1!,f=0.24) USER MOD Single : A 7 LYS NZ :NH3+ -102:sc= -0.163 (180deg=-1.81) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 150:sc= -1.16 USER MOD Single : A 13 THR OG1 : rot 97:sc= 1.02 USER MOD Single : A 14 ASN : amide:sc= -0.353 K(o=-0.35,f=-1.5) USER MOD Single : A 17 HIS : no HE2:sc= 0.54 K(o=0.54,f=-2.5!) USER MOD Single : A 18 SER OG : rot -27:sc= 0.133 USER MOD Single : A 20 ASN : amide:sc= -0.118 K(o=-0.12,f=-0.99!) USER MOD Single : A 22 MET CE :methyl -148:sc= -0.214 (180deg=-1.02) USER MOD Single : A 23 TYR OH : rot -101:sc= 0.0342 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -1:sc= 0.567 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -1.99 X(o=-2,f=-1.6) USER MOD Single : A 38 LYS NZ :NH3+ -150:sc= -0.384 (180deg=-1.28!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.273) USER MOD Single : A 49 CYS SG : rot 129:sc= 0.00188 USER MOD Single : A 54 THR OG1 : rot 46:sc= -1.55! USER MOD Single : A 55 ASN : amide:sc= -0.467 K(o=-0.47,f=-1.7) USER MOD Single : A 56 ASN : amide:sc= -0.563 K(o=-0.56,f=-2) USER MOD Single : A 59 ASN : amide:sc= 0.594 K(o=0.59,f=-6.8!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -8.39! C(o=-8.4!,f=-10!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -2.58! C(o=-2.6!,f=-9.2!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 68:sc= 0.674 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -152:sc= -2.23! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -1.08 K(o=-1.1,f=-2.2!) USER MOD Single : A 109 LYS NZ :NH3+ 140:sc= -0.148 (180deg=-1.43!) USER MOD Single : A 111 ASN : amide:sc= -4.03 K(o=-4,f=-9.1!) USER MOD Single : A 115 TYR OH : rot 165:sc= -1.04 USER MOD Single : A 118 THR OG1 : rot 87:sc= 0.18 USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 -5.708 -1.959 15.049 1.00 0.00 N ATOM 32 CA THR A 3 -6.069 -3.292 15.501 1.00 0.00 C ATOM 33 C THR A 3 -6.138 -4.257 14.316 1.00 0.00 C ATOM 34 O THR A 3 -5.716 -5.408 14.422 1.00 0.00 O ATOM 35 CB THR A 3 -7.384 -3.188 16.277 1.00 0.00 C ATOM 36 OG1 THR A 3 -7.030 -2.493 17.469 1.00 0.00 O ATOM 37 CG2 THR A 3 -7.880 -4.548 16.772 1.00 0.00 C ATOM 0 HA THR A 3 -5.311 -3.701 16.169 1.00 0.00 H new ATOM 0 HB THR A 3 -8.145 -2.733 15.643 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.374 -1.796 17.259 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.816 -4.418 17.316 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.044 -5.208 15.920 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.134 -4.989 17.433 1.00 0.00 H new ATOM 45 N ASN A 4 -6.672 -3.753 13.213 1.00 0.00 N ATOM 46 CA ASN A 4 -6.801 -4.556 12.009 1.00 0.00 C ATOM 47 C ASN A 4 -5.467 -4.564 11.261 1.00 0.00 C ATOM 48 O ASN A 4 -4.969 -5.624 10.884 1.00 0.00 O ATOM 49 CB ASN A 4 -7.864 -3.977 11.073 1.00 0.00 C ATOM 50 CG ASN A 4 -8.899 -3.165 11.854 1.00 0.00 C ATOM 51 OD1 ASN A 4 -9.356 -2.118 11.426 1.00 0.00 O ATOM 52 ND2 ASN A 4 -9.243 -3.705 13.020 1.00 0.00 N ATOM 0 H ASN A 4 -7.020 -2.798 13.128 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.091 -5.564 12.305 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.388 -3.343 10.325 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.360 -4.786 10.536 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.928 -3.239 13.615 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.822 -4.585 13.319 1.00 0.00 H new ATOM 59 N ALA A 5 -4.925 -3.370 11.069 1.00 0.00 N ATOM 60 CA ALA A 5 -3.658 -3.227 10.373 1.00 0.00 C ATOM 61 C ALA A 5 -2.648 -4.220 10.951 1.00 0.00 C ATOM 62 O ALA A 5 -1.958 -4.914 10.206 1.00 0.00 O ATOM 63 CB ALA A 5 -3.177 -1.778 10.481 1.00 0.00 C ATOM 0 H ALA A 5 -5.340 -2.493 11.383 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.775 -3.455 9.313 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.226 -1.670 9.959 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.916 -1.115 10.030 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.046 -1.515 11.531 1.00 0.00 H new ATOM 69 N GLU A 6 -2.593 -4.257 12.274 1.00 0.00 N ATOM 70 CA GLU A 6 -1.679 -5.154 12.961 1.00 0.00 C ATOM 71 C GLU A 6 -1.878 -6.590 12.472 1.00 0.00 C ATOM 72 O GLU A 6 -0.908 -7.301 12.213 1.00 0.00 O ATOM 73 CB GLU A 6 -1.857 -5.063 14.478 1.00 0.00 C ATOM 74 CG GLU A 6 -1.218 -6.263 15.178 1.00 0.00 C ATOM 75 CD GLU A 6 0.286 -6.321 14.904 1.00 0.00 C ATOM 76 OE1 GLU A 6 1.018 -5.581 15.595 1.00 0.00 O ATOM 77 OE2 GLU A 6 0.670 -7.105 14.009 1.00 0.00 O ATOM 0 H GLU A 6 -3.167 -3.680 12.889 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.659 -4.849 12.729 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.407 -4.141 14.846 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.919 -5.019 14.721 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.393 -6.198 16.252 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.690 -7.183 14.833 1.00 0.00 H new ATOM 84 N LYS A 7 -3.141 -6.974 12.359 1.00 0.00 N ATOM 85 CA LYS A 7 -3.478 -8.313 11.905 1.00 0.00 C ATOM 86 C LYS A 7 -2.853 -8.553 10.530 1.00 0.00 C ATOM 87 O LYS A 7 -2.098 -9.507 10.345 1.00 0.00 O ATOM 88 CB LYS A 7 -4.994 -8.523 11.937 1.00 0.00 C ATOM 89 CG LYS A 7 -5.376 -9.853 11.285 1.00 0.00 C ATOM 90 CD LYS A 7 -5.425 -9.724 9.762 1.00 0.00 C ATOM 91 CE LYS A 7 -6.761 -10.226 9.211 1.00 0.00 C ATOM 92 NZ LYS A 7 -6.621 -10.618 7.791 1.00 0.00 N ATOM 0 H LYS A 7 -3.943 -6.382 12.574 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.061 -9.061 12.580 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.346 -8.505 12.969 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.490 -7.703 11.417 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.654 -10.620 11.565 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.347 -10.179 11.657 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.279 -8.682 9.477 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.608 -10.293 9.319 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.106 -11.078 9.797 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.517 -9.446 9.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.010 -9.868 7.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.615 -10.758 7.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.139 -11.504 7.623 1.00 0.00 H new ATOM 106 N LEU A 8 -3.190 -7.672 9.600 1.00 0.00 N ATOM 107 CA LEU A 8 -2.670 -7.776 8.247 1.00 0.00 C ATOM 108 C LEU A 8 -1.166 -8.050 8.302 1.00 0.00 C ATOM 109 O LEU A 8 -0.667 -8.937 7.612 1.00 0.00 O ATOM 110 CB LEU A 8 -3.039 -6.534 7.433 1.00 0.00 C ATOM 111 CG LEU A 8 -4.500 -6.433 6.990 1.00 0.00 C ATOM 112 CD1 LEU A 8 -4.656 -5.434 5.841 1.00 0.00 C ATOM 113 CD2 LEU A 8 -5.061 -7.811 6.631 1.00 0.00 C ATOM 0 H LEU A 8 -3.817 -6.883 9.757 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.129 -8.617 7.727 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.797 -5.651 8.025 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.408 -6.505 6.545 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.086 -6.055 7.828 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.704 -5.381 5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.321 -4.449 6.167 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.055 -5.759 4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.101 -7.711 6.320 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.478 -8.240 5.816 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.004 -8.465 7.501 1.00 0.00 H new ATOM 125 N VAL A 9 -0.485 -7.272 9.131 1.00 0.00 N ATOM 126 CA VAL A 9 0.952 -7.419 9.285 1.00 0.00 C ATOM 127 C VAL A 9 1.268 -8.844 9.745 1.00 0.00 C ATOM 128 O VAL A 9 2.093 -9.548 9.168 1.00 0.00 O ATOM 129 CB VAL A 9 1.488 -6.350 10.240 1.00 0.00 C ATOM 130 CG1 VAL A 9 3.004 -6.473 10.406 1.00 0.00 C ATOM 131 CG2 VAL A 9 1.100 -4.948 9.767 1.00 0.00 C ATOM 0 H VAL A 9 -0.902 -6.538 9.703 1.00 0.00 H new ATOM 0 HA VAL A 9 1.456 -7.266 8.331 1.00 0.00 H new ATOM 0 HB VAL A 9 1.030 -6.513 11.216 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.359 -5.702 11.089 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.247 -7.456 10.810 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.487 -6.349 9.437 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.493 -4.207 10.463 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.516 -4.771 8.775 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.014 -4.866 9.725 1.00 0.00 H new ATOM 141 N TYR A 10 0.582 -9.257 10.813 1.00 0.00 N ATOM 142 CA TYR A 10 0.767 -10.580 11.373 1.00 0.00 C ATOM 143 C TYR A 10 0.159 -11.623 10.446 1.00 0.00 C ATOM 144 O TYR A 10 0.260 -12.813 10.742 1.00 0.00 O ATOM 145 CB TYR A 10 0.119 -10.642 12.753 1.00 0.00 C ATOM 146 CG TYR A 10 0.647 -11.762 13.618 1.00 0.00 C ATOM 147 CD1 TYR A 10 1.750 -11.542 14.452 1.00 0.00 C ATOM 148 CD2 TYR A 10 0.035 -13.020 13.585 1.00 0.00 C ATOM 149 CE1 TYR A 10 2.240 -12.580 15.253 1.00 0.00 C ATOM 150 CE2 TYR A 10 0.525 -14.059 14.386 1.00 0.00 C ATOM 151 CZ TYR A 10 1.628 -13.839 15.220 1.00 0.00 C ATOM 152 OH TYR A 10 2.105 -14.851 16.000 1.00 0.00 O ATOM 0 H TYR A 10 -0.107 -8.686 11.302 1.00 0.00 H new ATOM 0 HA TYR A 10 1.832 -10.790 11.475 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.280 -9.693 13.264 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.958 -10.762 12.635 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.223 -10.571 14.477 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.816 -13.190 12.942 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.090 -12.410 15.897 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.052 -15.030 14.360 1.00 0.00 H new ATOM 0 HH TYR A 10 1.565 -15.656 15.857 1.00 0.00 H new ATOM 162 N LYS A 11 -0.449 -11.169 9.359 1.00 0.00 N ATOM 163 CA LYS A 11 -1.062 -12.080 8.408 1.00 0.00 C ATOM 164 C LYS A 11 -0.134 -12.253 7.204 1.00 0.00 C ATOM 165 O LYS A 11 0.507 -13.284 7.015 1.00 0.00 O ATOM 166 CB LYS A 11 -2.468 -11.604 8.039 1.00 0.00 C ATOM 167 CG LYS A 11 -3.484 -12.741 8.166 1.00 0.00 C ATOM 168 CD LYS A 11 -3.772 -13.056 9.635 1.00 0.00 C ATOM 169 CE LYS A 11 -5.132 -13.739 9.792 1.00 0.00 C ATOM 170 NZ LYS A 11 -5.224 -14.415 11.106 1.00 0.00 N ATOM 0 H LYS A 11 -0.530 -10.182 9.116 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.193 -13.066 8.854 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.758 -10.778 8.689 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.470 -11.222 7.018 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.410 -12.465 7.661 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.103 -13.632 7.667 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.989 -13.701 10.033 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.754 -12.136 10.219 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.929 -13.001 9.699 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.275 -14.465 8.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.153 -14.873 11.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.475 -15.133 11.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.108 -13.714 11.866 1.00 0.00 H new ATOM 184 N TYR A 12 -0.077 -11.203 6.381 1.00 0.00 N ATOM 185 CA TYR A 12 0.753 -11.209 5.194 1.00 0.00 C ATOM 186 C TYR A 12 2.168 -11.639 5.555 1.00 0.00 C ATOM 187 O TYR A 12 2.894 -12.096 4.674 1.00 0.00 O ATOM 188 CB TYR A 12 0.753 -9.817 4.568 1.00 0.00 C ATOM 189 CG TYR A 12 -0.570 -9.434 3.950 1.00 0.00 C ATOM 190 CD1 TYR A 12 -0.920 -9.923 2.686 1.00 0.00 C ATOM 191 CD2 TYR A 12 -1.446 -8.588 4.641 1.00 0.00 C ATOM 192 CE1 TYR A 12 -2.147 -9.568 2.113 1.00 0.00 C ATOM 193 CE2 TYR A 12 -2.674 -8.233 4.068 1.00 0.00 C ATOM 194 CZ TYR A 12 -3.024 -8.723 2.804 1.00 0.00 C ATOM 195 OH TYR A 12 -4.220 -8.377 2.246 1.00 0.00 O ATOM 0 H TYR A 12 -0.601 -10.340 6.524 1.00 0.00 H new ATOM 0 HA TYR A 12 0.354 -11.919 4.470 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.014 -9.084 5.331 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.529 -9.771 3.804 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.243 -10.574 2.153 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.175 -8.209 5.615 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.417 -9.946 1.138 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.351 -7.582 4.601 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.879 -8.222 2.955 1.00 0.00 H new ATOM 205 N THR A 13 2.529 -11.487 6.821 1.00 0.00 N ATOM 206 CA THR A 13 3.857 -11.866 7.271 1.00 0.00 C ATOM 207 C THR A 13 3.961 -13.386 7.407 1.00 0.00 C ATOM 208 O THR A 13 4.924 -13.991 6.939 1.00 0.00 O ATOM 209 CB THR A 13 4.146 -11.118 8.574 1.00 0.00 C ATOM 210 OG1 THR A 13 4.251 -9.754 8.176 1.00 0.00 O ATOM 211 CG2 THR A 13 5.527 -11.448 9.144 1.00 0.00 C ATOM 0 H THR A 13 1.924 -11.106 7.549 1.00 0.00 H new ATOM 0 HA THR A 13 4.617 -11.584 6.542 1.00 0.00 H new ATOM 0 HB THR A 13 3.381 -11.364 9.311 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.395 -9.302 8.327 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.682 -10.891 10.068 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.590 -12.517 9.349 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.295 -11.172 8.421 1.00 0.00 H new ATOM 219 N ASN A 14 2.954 -13.961 8.049 1.00 0.00 N ATOM 220 CA ASN A 14 2.920 -15.399 8.252 1.00 0.00 C ATOM 221 C ASN A 14 2.912 -16.102 6.893 1.00 0.00 C ATOM 222 O ASN A 14 3.745 -16.970 6.635 1.00 0.00 O ATOM 223 CB ASN A 14 1.658 -15.819 9.009 1.00 0.00 C ATOM 224 CG ASN A 14 1.537 -17.343 9.071 1.00 0.00 C ATOM 225 OD1 ASN A 14 1.192 -18.004 8.105 1.00 0.00 O ATOM 226 ND2 ASN A 14 1.839 -17.861 10.258 1.00 0.00 N ATOM 0 H ASN A 14 2.156 -13.457 8.435 1.00 0.00 H new ATOM 0 HA ASN A 14 3.799 -15.678 8.833 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.683 -15.411 10.020 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.779 -15.401 8.518 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.789 -18.870 10.402 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.121 -17.250 11.024 1.00 0.00 H new ATOM 233 N ILE A 15 1.963 -15.701 6.061 1.00 0.00 N ATOM 234 CA ILE A 15 1.836 -16.282 4.735 1.00 0.00 C ATOM 235 C ILE A 15 3.198 -16.253 4.038 1.00 0.00 C ATOM 236 O ILE A 15 3.655 -17.270 3.519 1.00 0.00 O ATOM 237 CB ILE A 15 0.727 -15.581 3.947 1.00 0.00 C ATOM 238 CG1 ILE A 15 -0.649 -16.131 4.331 1.00 0.00 C ATOM 239 CG2 ILE A 15 0.982 -15.673 2.442 1.00 0.00 C ATOM 240 CD1 ILE A 15 -1.684 -15.007 4.415 1.00 0.00 C ATOM 0 H ILE A 15 1.274 -14.981 6.279 1.00 0.00 H new ATOM 0 HA ILE A 15 1.535 -17.327 4.804 1.00 0.00 H new ATOM 0 HB ILE A 15 0.736 -14.523 4.210 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.968 -16.870 3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.585 -16.644 5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.179 -15.167 1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.934 -15.197 2.204 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.015 -16.720 2.142 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.653 -15.424 4.689 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.374 -14.283 5.168 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.763 -14.512 3.447 1.00 0.00 H new ATOM 252 N ALA A 16 3.807 -15.077 4.049 1.00 0.00 N ATOM 253 CA ALA A 16 5.108 -14.902 3.424 1.00 0.00 C ATOM 254 C ALA A 16 6.090 -15.919 4.009 1.00 0.00 C ATOM 255 O ALA A 16 6.733 -16.663 3.269 1.00 0.00 O ATOM 256 CB ALA A 16 5.578 -13.459 3.618 1.00 0.00 C ATOM 0 H ALA A 16 3.424 -14.236 4.481 1.00 0.00 H new ATOM 0 HA ALA A 16 5.046 -15.083 2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.553 -13.328 3.149 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.861 -12.778 3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.655 -13.242 4.683 1.00 0.00 H new ATOM 262 N HIS A 17 6.176 -15.917 5.331 1.00 0.00 N ATOM 263 CA HIS A 17 7.070 -16.830 6.024 1.00 0.00 C ATOM 264 C HIS A 17 6.700 -18.273 5.675 1.00 0.00 C ATOM 265 O HIS A 17 7.569 -19.143 5.612 1.00 0.00 O ATOM 266 CB HIS A 17 7.059 -16.563 7.530 1.00 0.00 C ATOM 267 CG HIS A 17 7.983 -17.459 8.319 1.00 0.00 C ATOM 268 ND1 HIS A 17 9.357 -17.295 8.331 1.00 0.00 N ATOM 269 CD2 HIS A 17 7.716 -18.528 9.124 1.00 0.00 C ATOM 270 CE1 HIS A 17 9.883 -18.229 9.110 1.00 0.00 C ATOM 271 NE2 HIS A 17 8.864 -18.993 9.600 1.00 0.00 N ATOM 0 H HIS A 17 5.642 -15.298 5.941 1.00 0.00 H new ATOM 0 HA HIS A 17 8.095 -16.663 5.692 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.338 -15.524 7.707 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.043 -16.687 7.903 1.00 0.00 H new ATOM 0 HD1 HIS A 17 9.877 -16.577 7.826 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.736 -18.928 9.338 1.00 0.00 H new ATOM 0 HE1 HIS A 17 10.934 -18.362 9.320 1.00 0.00 H new ATOM 279 N SER A 18 5.411 -18.484 5.457 1.00 0.00 N ATOM 280 CA SER A 18 4.916 -19.807 5.116 1.00 0.00 C ATOM 281 C SER A 18 5.324 -20.166 3.686 1.00 0.00 C ATOM 282 O SER A 18 5.214 -21.321 3.276 1.00 0.00 O ATOM 283 CB SER A 18 3.395 -19.882 5.268 1.00 0.00 C ATOM 284 OG SER A 18 2.895 -21.188 4.993 1.00 0.00 O ATOM 0 H SER A 18 4.694 -17.761 5.510 1.00 0.00 H new ATOM 0 HA SER A 18 5.359 -20.526 5.805 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.117 -19.593 6.282 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.927 -19.165 4.593 1.00 0.00 H new ATOM 0 HG SER A 18 3.503 -21.648 4.378 1.00 0.00 H new ATOM 290 N ALA A 19 5.787 -19.155 2.965 1.00 0.00 N ATOM 291 CA ALA A 19 6.212 -19.350 1.589 1.00 0.00 C ATOM 292 C ALA A 19 7.738 -19.256 1.514 1.00 0.00 C ATOM 293 O ALA A 19 8.375 -20.019 0.789 1.00 0.00 O ATOM 294 CB ALA A 19 5.519 -18.324 0.690 1.00 0.00 C ATOM 0 H ALA A 19 5.877 -18.199 3.308 1.00 0.00 H new ATOM 0 HA ALA A 19 5.925 -20.340 1.234 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.838 -18.470 -0.342 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.439 -18.452 0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.786 -17.318 1.013 1.00 0.00 H new ATOM 300 N ASN A 20 8.278 -18.313 2.271 1.00 0.00 N ATOM 301 CA ASN A 20 9.717 -18.109 2.299 1.00 0.00 C ATOM 302 C ASN A 20 10.174 -17.924 3.747 1.00 0.00 C ATOM 303 O ASN A 20 10.145 -16.830 4.306 1.00 0.00 O ATOM 304 CB ASN A 20 10.110 -16.855 1.515 1.00 0.00 C ATOM 305 CG ASN A 20 10.241 -17.160 0.022 1.00 0.00 C ATOM 306 OD1 ASN A 20 10.051 -18.278 -0.429 1.00 0.00 O ATOM 307 ND2 ASN A 20 10.575 -16.107 -0.718 1.00 0.00 N ATOM 0 H ASN A 20 7.746 -17.682 2.870 1.00 0.00 H new ATOM 0 HA ASN A 20 10.190 -18.981 1.847 1.00 0.00 H new ATOM 0 HB2 ASN A 20 9.361 -16.078 1.667 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.055 -16.466 1.894 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.687 -16.207 -1.727 1.00 0.00 H new ATOM 0 HD22 ASN A 20 10.719 -15.199 -0.277 1.00 0.00 H new ATOM 314 N PRO A 21 10.602 -19.035 4.350 1.00 0.00 N ATOM 315 CA PRO A 21 11.080 -19.091 5.715 1.00 0.00 C ATOM 316 C PRO A 21 12.127 -18.009 5.933 1.00 0.00 C ATOM 317 O PRO A 21 12.372 -17.642 7.081 1.00 0.00 O ATOM 318 CB PRO A 21 11.692 -20.483 5.859 1.00 0.00 C ATOM 319 CG PRO A 21 10.891 -21.319 4.868 1.00 0.00 C ATOM 320 CD PRO A 21 10.649 -20.338 3.723 1.00 0.00 C ATOM 0 HA PRO A 21 10.291 -18.923 6.448 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.755 -20.482 5.619 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.595 -20.862 6.876 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.445 -22.198 4.538 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.956 -21.675 5.301 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.447 -20.391 2.982 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.717 -20.560 3.203 1.00 0.00 H new ATOM 328 N MET A 22 12.718 -17.526 4.849 1.00 0.00 N ATOM 329 CA MET A 22 13.733 -16.492 4.948 1.00 0.00 C ATOM 330 C MET A 22 13.116 -15.155 5.365 1.00 0.00 C ATOM 331 O MET A 22 13.769 -14.282 5.931 1.00 0.00 O ATOM 332 CB MET A 22 14.432 -16.332 3.596 1.00 0.00 C ATOM 333 CG MET A 22 13.433 -15.946 2.504 1.00 0.00 C ATOM 334 SD MET A 22 14.246 -14.970 1.250 1.00 0.00 S ATOM 335 CE MET A 22 14.565 -13.478 2.176 1.00 0.00 C ATOM 0 H MET A 22 12.513 -17.832 3.898 1.00 0.00 H new ATOM 0 HA MET A 22 14.455 -16.790 5.708 1.00 0.00 H new ATOM 0 HB2 MET A 22 15.207 -15.569 3.671 1.00 0.00 H new ATOM 0 HB3 MET A 22 14.928 -17.264 3.327 1.00 0.00 H new ATOM 0 HG2 MET A 22 13.005 -16.844 2.057 1.00 0.00 H new ATOM 0 HG3 MET A 22 12.608 -15.381 2.938 1.00 0.00 H new ATOM 0 HE1 MET A 22 14.524 -12.619 1.507 1.00 0.00 H new ATOM 0 HE2 MET A 22 13.813 -13.366 2.957 1.00 0.00 H new ATOM 0 HE3 MET A 22 15.554 -13.537 2.631 1.00 0.00 H new ATOM 345 N TYR A 23 11.822 -15.014 5.066 1.00 0.00 N ATOM 346 CA TYR A 23 11.091 -13.806 5.393 1.00 0.00 C ATOM 347 C TYR A 23 10.359 -13.988 6.714 1.00 0.00 C ATOM 348 O TYR A 23 9.572 -14.925 6.834 1.00 0.00 O ATOM 349 CB TYR A 23 10.109 -13.489 4.269 1.00 0.00 C ATOM 350 CG TYR A 23 9.467 -12.128 4.396 1.00 0.00 C ATOM 351 CD1 TYR A 23 8.280 -11.979 5.123 1.00 0.00 C ATOM 352 CD2 TYR A 23 10.059 -11.015 3.786 1.00 0.00 C ATOM 353 CE1 TYR A 23 7.686 -10.717 5.241 1.00 0.00 C ATOM 354 CE2 TYR A 23 9.465 -9.753 3.905 1.00 0.00 C ATOM 355 CZ TYR A 23 8.278 -9.604 4.632 1.00 0.00 C ATOM 356 OH TYR A 23 7.699 -8.374 4.747 1.00 0.00 O ATOM 0 H TYR A 23 11.265 -15.728 4.597 1.00 0.00 H new ATOM 0 HA TYR A 23 11.785 -12.972 5.498 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.631 -13.548 3.314 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.329 -14.250 4.254 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.823 -12.837 5.593 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.974 -11.130 3.224 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.770 -10.602 5.802 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.922 -8.894 3.436 1.00 0.00 H new ATOM 0 HH TYR A 23 7.210 -8.164 3.924 1.00 0.00 H new ATOM 366 N GLU A 24 10.624 -13.104 7.666 1.00 0.00 N ATOM 367 CA GLU A 24 9.979 -13.187 8.965 1.00 0.00 C ATOM 368 C GLU A 24 9.099 -11.957 9.200 1.00 0.00 C ATOM 369 O GLU A 24 7.979 -12.075 9.693 1.00 0.00 O ATOM 370 CB GLU A 24 11.012 -13.343 10.082 1.00 0.00 C ATOM 371 CG GLU A 24 11.809 -14.639 9.914 1.00 0.00 C ATOM 372 CD GLU A 24 11.611 -15.563 11.117 1.00 0.00 C ATOM 373 OE1 GLU A 24 10.449 -15.670 11.566 1.00 0.00 O ATOM 374 OE2 GLU A 24 12.626 -16.142 11.561 1.00 0.00 O ATOM 0 H GLU A 24 11.277 -12.327 7.563 1.00 0.00 H new ATOM 0 HA GLU A 24 9.344 -14.073 8.977 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.691 -12.491 10.076 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.510 -13.343 11.049 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.494 -15.149 9.003 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.868 -14.407 9.799 1.00 0.00 H new ATOM 381 N ALA A 25 9.641 -10.804 8.835 1.00 0.00 N ATOM 382 CA ALA A 25 8.920 -9.553 9.000 1.00 0.00 C ATOM 383 C ALA A 25 9.553 -8.483 8.109 1.00 0.00 C ATOM 384 O ALA A 25 10.580 -8.692 7.468 1.00 0.00 O ATOM 385 CB ALA A 25 8.917 -9.156 10.477 1.00 0.00 C ATOM 0 H ALA A 25 10.571 -10.710 8.426 1.00 0.00 H new ATOM 0 HA ALA A 25 7.881 -9.666 8.691 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.376 -8.218 10.600 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.429 -9.936 11.062 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.943 -9.031 10.822 1.00 0.00 H new ATOM 391 N PRO A 26 8.907 -7.314 8.084 1.00 0.00 N ATOM 392 CA PRO A 26 9.329 -6.165 7.313 1.00 0.00 C ATOM 393 C PRO A 26 10.522 -5.505 7.990 1.00 0.00 C ATOM 394 O PRO A 26 10.957 -5.993 9.032 1.00 0.00 O ATOM 395 CB PRO A 26 8.119 -5.233 7.305 1.00 0.00 C ATOM 396 CG PRO A 26 6.921 -6.048 7.956 1.00 0.00 C ATOM 397 CD PRO A 26 7.697 -7.034 8.826 1.00 0.00 C ATOM 0 HA PRO A 26 9.641 -6.425 6.301 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.324 -4.325 7.872 1.00 0.00 H new ATOM 0 HB3 PRO A 26 7.872 -4.925 6.289 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.257 -5.412 8.541 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.306 -6.549 7.209 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.923 -6.606 9.803 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.122 -7.943 9.002 1.00 0.00 H new ATOM 405 N SER A 27 11.021 -4.430 7.399 1.00 0.00 N ATOM 406 CA SER A 27 12.160 -3.727 7.963 1.00 0.00 C ATOM 407 C SER A 27 11.956 -2.215 7.839 1.00 0.00 C ATOM 408 O SER A 27 12.894 -1.441 8.024 1.00 0.00 O ATOM 409 CB SER A 27 13.461 -4.145 7.276 1.00 0.00 C ATOM 410 OG SER A 27 14.309 -4.891 8.145 1.00 0.00 O ATOM 0 H SER A 27 10.657 -4.028 6.535 1.00 0.00 H new ATOM 0 HA SER A 27 12.237 -3.992 9.018 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.229 -4.743 6.395 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.989 -3.257 6.929 1.00 0.00 H new ATOM 0 HG SER A 27 15.128 -5.140 7.668 1.00 0.00 H new ATOM 416 N ILE A 28 10.724 -1.840 7.525 1.00 0.00 N ATOM 417 CA ILE A 28 10.386 -0.436 7.374 1.00 0.00 C ATOM 418 C ILE A 28 11.506 0.276 6.613 1.00 0.00 C ATOM 419 O ILE A 28 11.997 1.315 7.051 1.00 0.00 O ATOM 420 CB ILE A 28 10.074 0.190 8.735 1.00 0.00 C ATOM 421 CG1 ILE A 28 11.222 -0.040 9.720 1.00 0.00 C ATOM 422 CG2 ILE A 28 8.739 -0.322 9.281 1.00 0.00 C ATOM 423 CD1 ILE A 28 11.018 0.775 10.999 1.00 0.00 C ATOM 0 H ILE A 28 9.949 -2.485 7.371 1.00 0.00 H new ATOM 0 HA ILE A 28 9.478 -0.326 6.782 1.00 0.00 H new ATOM 0 HB ILE A 28 9.975 1.267 8.601 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.288 -1.100 9.966 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.167 0.238 9.254 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.541 0.138 10.249 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.939 -0.065 8.587 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.785 -1.405 9.397 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.848 0.594 11.682 1.00 0.00 H new ATOM 0 HD12 ILE A 28 10.977 1.836 10.752 1.00 0.00 H new ATOM 0 HD13 ILE A 28 10.084 0.477 11.475 1.00 0.00 H new ATOM 435 N THR A 29 11.878 -0.313 5.485 1.00 0.00 N ATOM 436 CA THR A 29 12.931 0.252 4.658 1.00 0.00 C ATOM 437 C THR A 29 12.877 -0.340 3.249 1.00 0.00 C ATOM 438 O THR A 29 13.915 -0.585 2.634 1.00 0.00 O ATOM 439 CB THR A 29 14.266 0.015 5.367 1.00 0.00 C ATOM 440 OG1 THR A 29 14.281 0.983 6.413 1.00 0.00 O ATOM 441 CG2 THR A 29 15.466 0.390 4.495 1.00 0.00 C ATOM 0 H THR A 29 11.469 -1.175 5.125 1.00 0.00 H new ATOM 0 HA THR A 29 12.801 1.327 4.530 1.00 0.00 H new ATOM 0 HB THR A 29 14.341 -1.033 5.658 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.464 1.523 6.371 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.388 0.203 5.045 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.457 -0.211 3.586 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.409 1.446 4.232 1.00 0.00 H new ATOM 449 N ASP A 30 11.658 -0.554 2.777 1.00 0.00 N ATOM 450 CA ASP A 30 11.455 -1.113 1.451 1.00 0.00 C ATOM 451 C ASP A 30 10.229 -0.462 0.810 1.00 0.00 C ATOM 452 O ASP A 30 10.288 -0.008 -0.332 1.00 0.00 O ATOM 453 CB ASP A 30 11.208 -2.621 1.521 1.00 0.00 C ATOM 454 CG ASP A 30 11.042 -3.313 0.166 1.00 0.00 C ATOM 455 OD1 ASP A 30 11.819 -2.963 -0.748 1.00 0.00 O ATOM 456 OD2 ASP A 30 10.142 -4.175 0.076 1.00 0.00 O ATOM 0 H ASP A 30 10.800 -0.350 3.289 1.00 0.00 H new ATOM 0 HA ASP A 30 12.353 -0.922 0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.040 -3.086 2.050 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.312 -2.800 2.116 1.00 0.00 H new ATOM 461 N GLY A 31 9.145 -0.436 1.572 1.00 0.00 N ATOM 462 CA GLY A 31 7.906 0.152 1.092 1.00 0.00 C ATOM 463 C GLY A 31 8.172 1.464 0.352 1.00 0.00 C ATOM 464 O GLY A 31 7.680 1.667 -0.756 1.00 0.00 O ATOM 0 H GLY A 31 9.099 -0.813 2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.401 -0.548 0.427 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.236 0.334 1.932 1.00 0.00 H new ATOM 468 N LYS A 32 8.952 2.321 0.995 1.00 0.00 N ATOM 469 CA LYS A 32 9.289 3.608 0.412 1.00 0.00 C ATOM 470 C LYS A 32 9.726 3.407 -1.040 1.00 0.00 C ATOM 471 O LYS A 32 8.996 3.758 -1.966 1.00 0.00 O ATOM 472 CB LYS A 32 10.329 4.330 1.272 1.00 0.00 C ATOM 473 CG LYS A 32 11.400 3.357 1.769 1.00 0.00 C ATOM 474 CD LYS A 32 12.790 3.781 1.292 1.00 0.00 C ATOM 475 CE LYS A 32 13.806 3.716 2.435 1.00 0.00 C ATOM 476 NZ LYS A 32 14.680 4.910 2.421 1.00 0.00 N ATOM 0 H LYS A 32 9.360 2.149 1.914 1.00 0.00 H new ATOM 0 HA LYS A 32 8.415 4.259 0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.796 5.126 0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.838 4.802 2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.382 3.316 2.858 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.179 2.352 1.409 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.112 3.133 0.477 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.748 4.795 0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.284 3.651 3.390 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.411 2.814 2.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.363 4.849 3.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.192 4.955 1.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.100 5.766 2.533 1.00 0.00 H new ATOM 490 N ILE A 33 10.914 2.841 -1.195 1.00 0.00 N ATOM 491 CA ILE A 33 11.456 2.588 -2.519 1.00 0.00 C ATOM 492 C ILE A 33 10.406 1.867 -3.366 1.00 0.00 C ATOM 493 O ILE A 33 10.201 2.208 -4.530 1.00 0.00 O ATOM 494 CB ILE A 33 12.786 1.839 -2.419 1.00 0.00 C ATOM 495 CG1 ILE A 33 13.919 2.784 -2.014 1.00 0.00 C ATOM 496 CG2 ILE A 33 13.097 1.097 -3.720 1.00 0.00 C ATOM 497 CD1 ILE A 33 14.928 2.074 -1.108 1.00 0.00 C ATOM 0 H ILE A 33 11.517 2.550 -0.425 1.00 0.00 H new ATOM 0 HA ILE A 33 11.683 3.527 -3.024 1.00 0.00 H new ATOM 0 HB ILE A 33 12.696 1.089 -1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 33 14.424 3.155 -2.906 1.00 0.00 H new ATOM 0 HG13 ILE A 33 13.507 3.651 -1.497 1.00 0.00 H new ATOM 0 HG21 ILE A 33 14.048 0.573 -3.622 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.305 0.377 -3.926 1.00 0.00 H new ATOM 0 HG23 ILE A 33 13.160 1.812 -4.540 1.00 0.00 H new ATOM 0 HD11 ILE A 33 15.723 2.768 -0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 33 14.425 1.725 -0.206 1.00 0.00 H new ATOM 0 HD13 ILE A 33 15.356 1.222 -1.637 1.00 0.00 H new ATOM 509 N PHE A 34 9.768 0.883 -2.749 1.00 0.00 N ATOM 510 CA PHE A 34 8.745 0.111 -3.432 1.00 0.00 C ATOM 511 C PHE A 34 7.542 0.987 -3.787 1.00 0.00 C ATOM 512 O PHE A 34 6.695 0.591 -4.586 1.00 0.00 O ATOM 513 CB PHE A 34 8.293 -0.987 -2.466 1.00 0.00 C ATOM 514 CG PHE A 34 7.029 -1.725 -2.910 1.00 0.00 C ATOM 515 CD1 PHE A 34 7.030 -2.443 -4.066 1.00 0.00 C ATOM 516 CD2 PHE A 34 5.903 -1.664 -2.149 1.00 0.00 C ATOM 517 CE1 PHE A 34 5.857 -3.128 -4.477 1.00 0.00 C ATOM 518 CE2 PHE A 34 4.730 -2.349 -2.561 1.00 0.00 C ATOM 519 CZ PHE A 34 4.731 -3.067 -3.717 1.00 0.00 C ATOM 0 H PHE A 34 9.940 0.603 -1.783 1.00 0.00 H new ATOM 0 HA PHE A 34 9.147 -0.301 -4.358 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.101 -1.709 -2.350 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.117 -0.544 -1.486 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.924 -2.492 -4.671 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.902 -1.094 -1.231 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.859 -3.698 -5.394 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.836 -2.300 -1.957 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.838 -3.588 -4.031 1.00 0.00 H new ATOM 529 N PHE A 35 7.505 2.162 -3.175 1.00 0.00 N ATOM 530 CA PHE A 35 6.420 3.098 -3.416 1.00 0.00 C ATOM 531 C PHE A 35 6.916 4.325 -4.184 1.00 0.00 C ATOM 532 O PHE A 35 6.171 5.286 -4.373 1.00 0.00 O ATOM 533 CB PHE A 35 5.900 3.543 -2.048 1.00 0.00 C ATOM 534 CG PHE A 35 4.739 4.536 -2.116 1.00 0.00 C ATOM 535 CD1 PHE A 35 3.519 4.127 -2.557 1.00 0.00 C ATOM 536 CD2 PHE A 35 4.926 5.828 -1.737 1.00 0.00 C ATOM 537 CE1 PHE A 35 2.441 5.049 -2.620 1.00 0.00 C ATOM 538 CE2 PHE A 35 3.849 6.751 -1.800 1.00 0.00 C ATOM 539 CZ PHE A 35 2.629 6.341 -2.241 1.00 0.00 C ATOM 0 H PHE A 35 8.209 2.487 -2.513 1.00 0.00 H new ATOM 0 HA PHE A 35 5.641 2.620 -4.011 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.580 2.664 -1.489 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.719 3.995 -1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.370 3.101 -2.859 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.895 6.153 -1.388 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.472 4.724 -2.969 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.998 7.777 -1.498 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.809 7.042 -2.290 1.00 0.00 H new ATOM 549 N ASN A 36 8.170 4.254 -4.605 1.00 0.00 N ATOM 550 CA ASN A 36 8.774 5.347 -5.348 1.00 0.00 C ATOM 551 C ASN A 36 9.646 4.777 -6.467 1.00 0.00 C ATOM 552 O ASN A 36 10.562 5.444 -6.946 1.00 0.00 O ATOM 553 CB ASN A 36 9.664 6.202 -4.443 1.00 0.00 C ATOM 554 CG ASN A 36 8.832 6.930 -3.385 1.00 0.00 C ATOM 555 OD1 ASN A 36 8.682 8.140 -3.401 1.00 0.00 O ATOM 556 ND2 ASN A 36 8.302 6.126 -2.467 1.00 0.00 N ATOM 0 H ASN A 36 8.785 3.456 -4.446 1.00 0.00 H new ATOM 0 HA ASN A 36 7.972 5.964 -5.752 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.407 5.570 -3.955 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.210 6.929 -5.045 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.730 6.515 -1.717 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.468 5.121 -2.513 1.00 0.00 H new ATOM 563 N ARG A 37 9.331 3.549 -6.853 1.00 0.00 N ATOM 564 CA ARG A 37 10.075 2.881 -7.907 1.00 0.00 C ATOM 565 C ARG A 37 9.365 3.057 -9.251 1.00 0.00 C ATOM 566 O ARG A 37 8.363 2.396 -9.518 1.00 0.00 O ATOM 567 CB ARG A 37 10.231 1.388 -7.611 1.00 0.00 C ATOM 568 CG ARG A 37 11.049 0.695 -8.703 1.00 0.00 C ATOM 569 CD ARG A 37 12.363 0.148 -8.139 1.00 0.00 C ATOM 570 NE ARG A 37 12.447 -1.310 -8.376 1.00 0.00 N ATOM 571 CZ ARG A 37 11.624 -2.210 -7.821 1.00 0.00 C ATOM 572 NH1 ARG A 37 10.651 -1.807 -6.993 1.00 0.00 N ATOM 573 NH2 ARG A 37 11.775 -3.513 -8.093 1.00 0.00 N ATOM 0 H ARG A 37 8.570 2.999 -6.454 1.00 0.00 H new ATOM 0 HA ARG A 37 11.065 3.335 -7.953 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.719 1.254 -6.646 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.248 0.923 -7.538 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.468 -0.119 -9.136 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.260 1.400 -9.507 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.208 0.651 -8.610 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.424 0.355 -7.071 1.00 0.00 H new ATOM 0 HE ARG A 37 13.177 -1.651 -9.001 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.537 -0.815 -6.785 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.025 -2.492 -6.571 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.516 -3.820 -8.723 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.149 -4.198 -7.670 1.00 0.00 H new ATOM 587 N LYS A 38 9.912 3.951 -10.061 1.00 0.00 N ATOM 588 CA LYS A 38 9.344 4.221 -11.370 1.00 0.00 C ATOM 589 C LYS A 38 9.305 2.925 -12.182 1.00 0.00 C ATOM 590 O LYS A 38 10.234 2.631 -12.932 1.00 0.00 O ATOM 591 CB LYS A 38 10.103 5.357 -12.060 1.00 0.00 C ATOM 592 CG LYS A 38 9.623 5.541 -13.501 1.00 0.00 C ATOM 593 CD LYS A 38 10.684 6.249 -14.346 1.00 0.00 C ATOM 594 CE LYS A 38 10.738 7.743 -14.019 1.00 0.00 C ATOM 595 NZ LYS A 38 9.377 8.325 -14.029 1.00 0.00 N ATOM 0 H LYS A 38 10.743 4.498 -9.836 1.00 0.00 H new ATOM 0 HA LYS A 38 8.315 4.568 -11.274 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.961 6.284 -11.504 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.172 5.142 -12.053 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.393 4.569 -13.938 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.700 6.121 -13.509 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.659 5.798 -14.164 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.462 6.112 -15.404 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.196 7.891 -13.041 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.366 8.258 -14.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.429 9.324 -14.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.782 7.804 -14.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.963 8.256 -13.077 1.00 0.00 H new ATOM 609 N PHE A 39 8.220 2.186 -12.005 1.00 0.00 N ATOM 610 CA PHE A 39 8.047 0.928 -12.712 1.00 0.00 C ATOM 611 C PHE A 39 7.117 1.098 -13.915 1.00 0.00 C ATOM 612 O PHE A 39 6.280 1.999 -13.934 1.00 0.00 O ATOM 613 CB PHE A 39 7.414 -0.056 -11.727 1.00 0.00 C ATOM 614 CG PHE A 39 6.035 0.372 -11.221 1.00 0.00 C ATOM 615 CD1 PHE A 39 4.948 0.262 -12.031 1.00 0.00 C ATOM 616 CD2 PHE A 39 5.895 0.862 -9.960 1.00 0.00 C ATOM 617 CE1 PHE A 39 3.668 0.659 -11.562 1.00 0.00 C ATOM 618 CE2 PHE A 39 4.615 1.259 -9.490 1.00 0.00 C ATOM 619 CZ PHE A 39 3.529 1.149 -10.301 1.00 0.00 C ATOM 0 H PHE A 39 7.451 2.434 -11.382 1.00 0.00 H new ATOM 0 HA PHE A 39 9.010 0.573 -13.079 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.327 -1.030 -12.208 1.00 0.00 H new ATOM 0 HB3 PHE A 39 8.081 -0.180 -10.874 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.059 -0.128 -13.032 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.758 0.949 -9.316 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.805 0.572 -12.206 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.504 1.648 -8.489 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.556 1.451 -9.944 1.00 0.00 H new ATOM 629 N LYS A 40 7.294 0.218 -14.889 1.00 0.00 N ATOM 630 CA LYS A 40 6.481 0.259 -16.092 1.00 0.00 C ATOM 631 C LYS A 40 5.445 -0.865 -16.041 1.00 0.00 C ATOM 632 O LYS A 40 5.751 -1.977 -15.614 1.00 0.00 O ATOM 633 CB LYS A 40 7.366 0.224 -17.339 1.00 0.00 C ATOM 634 CG LYS A 40 6.604 0.723 -18.568 1.00 0.00 C ATOM 635 CD LYS A 40 7.532 1.480 -19.520 1.00 0.00 C ATOM 636 CE LYS A 40 7.035 1.384 -20.963 1.00 0.00 C ATOM 637 NZ LYS A 40 7.815 0.374 -21.713 1.00 0.00 N ATOM 0 H LYS A 40 7.989 -0.528 -14.869 1.00 0.00 H new ATOM 0 HA LYS A 40 5.930 1.198 -16.147 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.250 0.842 -17.179 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.716 -0.794 -17.512 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.154 -0.122 -19.089 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.789 1.375 -18.255 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.590 2.526 -19.221 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.540 1.072 -19.451 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.978 1.117 -20.973 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.123 2.355 -21.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.465 0.321 -22.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.819 0.645 -21.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.710 -0.555 -21.257 1.00 0.00 H new ATOM 651 N THR A 41 4.240 -0.537 -16.483 1.00 0.00 N ATOM 652 CA THR A 41 3.157 -1.506 -16.493 1.00 0.00 C ATOM 653 C THR A 41 3.248 -2.395 -17.735 1.00 0.00 C ATOM 654 O THR A 41 3.785 -2.013 -18.772 1.00 0.00 O ATOM 655 CB THR A 41 1.836 -0.740 -16.389 1.00 0.00 C ATOM 656 OG1 THR A 41 1.774 0.010 -17.599 1.00 0.00 O ATOM 657 CG2 THR A 41 1.862 0.326 -15.292 1.00 0.00 C ATOM 0 H THR A 41 3.990 0.386 -16.837 1.00 0.00 H new ATOM 0 HA THR A 41 3.224 -2.183 -15.642 1.00 0.00 H new ATOM 0 HB THR A 41 1.024 -1.441 -16.195 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.273 0.846 -17.491 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.901 0.840 -15.261 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.052 -0.148 -14.329 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.652 1.047 -15.504 1.00 0.00 H new ATOM 665 N PRO A 42 2.703 -3.606 -17.602 1.00 0.00 N ATOM 666 CA PRO A 42 2.674 -4.606 -18.648 1.00 0.00 C ATOM 667 C PRO A 42 1.831 -4.105 -19.811 1.00 0.00 C ATOM 668 O PRO A 42 1.805 -4.760 -20.852 1.00 0.00 O ATOM 669 CB PRO A 42 2.037 -5.833 -17.999 1.00 0.00 C ATOM 670 CG PRO A 42 1.129 -5.201 -16.864 1.00 0.00 C ATOM 671 CD PRO A 42 2.063 -4.087 -16.397 1.00 0.00 C ATOM 0 HA PRO A 42 3.663 -4.831 -19.046 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.449 -6.408 -18.714 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.787 -6.508 -17.587 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.181 -4.822 -17.246 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.892 -5.911 -16.071 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.510 -3.291 -15.899 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.797 -4.460 -15.682 1.00 0.00 H new ATOM 679 N SER A 43 1.167 -2.974 -19.620 1.00 0.00 N ATOM 680 CA SER A 43 0.332 -2.410 -20.666 1.00 0.00 C ATOM 681 C SER A 43 1.062 -1.254 -21.353 1.00 0.00 C ATOM 682 O SER A 43 0.431 -0.320 -21.843 1.00 0.00 O ATOM 683 CB SER A 43 -1.008 -1.931 -20.104 1.00 0.00 C ATOM 684 OG SER A 43 -0.959 -0.567 -19.695 1.00 0.00 O ATOM 0 H SER A 43 1.191 -2.433 -18.756 1.00 0.00 H new ATOM 0 HA SER A 43 0.130 -3.191 -21.399 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.783 -2.055 -20.860 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.288 -2.554 -19.255 1.00 0.00 H new ATOM 0 HG SER A 43 -0.732 -0.003 -20.464 1.00 0.00 H new ATOM 690 N GLY A 44 2.383 -1.356 -21.367 1.00 0.00 N ATOM 691 CA GLY A 44 3.207 -0.331 -21.985 1.00 0.00 C ATOM 692 C GLY A 44 2.838 1.058 -21.461 1.00 0.00 C ATOM 693 O GLY A 44 2.148 1.818 -22.138 1.00 0.00 O ATOM 0 H GLY A 44 2.903 -2.133 -20.960 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.259 -0.533 -21.781 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.080 -0.361 -23.067 1.00 0.00 H new ATOM 697 N LYS A 45 3.315 1.348 -20.259 1.00 0.00 N ATOM 698 CA LYS A 45 3.045 2.632 -19.636 1.00 0.00 C ATOM 699 C LYS A 45 3.788 2.713 -18.302 1.00 0.00 C ATOM 700 O LYS A 45 3.769 1.766 -17.517 1.00 0.00 O ATOM 701 CB LYS A 45 1.537 2.862 -19.515 1.00 0.00 C ATOM 702 CG LYS A 45 1.235 4.291 -19.060 1.00 0.00 C ATOM 703 CD LYS A 45 -0.241 4.634 -19.271 1.00 0.00 C ATOM 704 CE LYS A 45 -0.987 4.692 -17.936 1.00 0.00 C ATOM 705 NZ LYS A 45 -0.850 6.032 -17.324 1.00 0.00 N ATOM 0 H LYS A 45 3.887 0.715 -19.700 1.00 0.00 H new ATOM 0 HA LYS A 45 3.419 3.444 -20.259 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.059 2.674 -20.476 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.113 2.153 -18.804 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.491 4.403 -18.006 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.858 4.992 -19.615 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.326 5.594 -19.781 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.703 3.888 -19.917 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.041 4.463 -18.091 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.592 3.934 -17.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.816 5.939 -16.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.026 6.479 -17.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.664 6.621 -17.592 1.00 0.00 H new ATOM 719 N GLU A 46 4.425 3.854 -18.084 1.00 0.00 N ATOM 720 CA GLU A 46 5.174 4.072 -16.858 1.00 0.00 C ATOM 721 C GLU A 46 4.259 4.642 -15.772 1.00 0.00 C ATOM 722 O GLU A 46 3.466 5.544 -16.034 1.00 0.00 O ATOM 723 CB GLU A 46 6.373 4.990 -17.103 1.00 0.00 C ATOM 724 CG GLU A 46 7.461 4.763 -16.051 1.00 0.00 C ATOM 725 CD GLU A 46 6.919 5.003 -14.641 1.00 0.00 C ATOM 726 OE1 GLU A 46 6.188 6.003 -14.477 1.00 0.00 O ATOM 727 OE2 GLU A 46 7.249 4.181 -13.759 1.00 0.00 O ATOM 0 H GLU A 46 4.438 4.638 -18.736 1.00 0.00 H new ATOM 0 HA GLU A 46 5.559 3.112 -16.515 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.779 4.806 -18.097 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.050 6.031 -17.079 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.841 3.744 -16.130 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.300 5.432 -16.241 1.00 0.00 H new ATOM 734 N ALA A 47 4.401 4.091 -14.575 1.00 0.00 N ATOM 735 CA ALA A 47 3.597 4.534 -13.448 1.00 0.00 C ATOM 736 C ALA A 47 4.375 4.303 -12.151 1.00 0.00 C ATOM 737 O ALA A 47 5.474 3.751 -12.172 1.00 0.00 O ATOM 738 CB ALA A 47 2.254 3.802 -13.460 1.00 0.00 C ATOM 0 H ALA A 47 5.060 3.343 -14.361 1.00 0.00 H new ATOM 0 HA ALA A 47 3.387 5.601 -13.522 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.651 4.134 -12.615 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.728 4.021 -14.389 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.424 2.728 -13.384 1.00 0.00 H new ATOM 744 N ALA A 48 3.774 4.739 -11.053 1.00 0.00 N ATOM 745 CA ALA A 48 4.397 4.587 -9.749 1.00 0.00 C ATOM 746 C ALA A 48 3.336 4.751 -8.660 1.00 0.00 C ATOM 747 O ALA A 48 2.332 5.433 -8.863 1.00 0.00 O ATOM 748 CB ALA A 48 5.539 5.596 -9.608 1.00 0.00 C ATOM 0 H ALA A 48 2.863 5.197 -11.040 1.00 0.00 H new ATOM 0 HA ALA A 48 4.827 3.591 -9.643 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.006 5.482 -8.630 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.280 5.418 -10.387 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.145 6.608 -9.706 1.00 0.00 H new ATOM 754 N CYS A 49 3.593 4.115 -7.526 1.00 0.00 N ATOM 755 CA CYS A 49 2.672 4.182 -6.404 1.00 0.00 C ATOM 756 C CYS A 49 2.598 5.635 -5.930 1.00 0.00 C ATOM 757 O CYS A 49 1.711 5.995 -5.158 1.00 0.00 O ATOM 758 CB CYS A 49 3.085 3.234 -5.276 1.00 0.00 C ATOM 759 SG CYS A 49 3.347 1.498 -5.791 1.00 0.00 S ATOM 0 H CYS A 49 4.426 3.551 -7.360 1.00 0.00 H new ATOM 0 HA CYS A 49 1.682 3.853 -6.722 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.004 3.607 -4.825 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.318 3.257 -4.502 1.00 0.00 H new ATOM 0 HG CYS A 49 4.504 1.088 -5.363 1.00 0.00 H new ATOM 764 N ALA A 50 3.541 6.431 -6.413 1.00 0.00 N ATOM 765 CA ALA A 50 3.593 7.836 -6.048 1.00 0.00 C ATOM 766 C ALA A 50 3.026 8.677 -7.194 1.00 0.00 C ATOM 767 O ALA A 50 3.072 9.906 -7.149 1.00 0.00 O ATOM 768 CB ALA A 50 5.032 8.220 -5.700 1.00 0.00 C ATOM 0 H ALA A 50 4.275 6.129 -7.054 1.00 0.00 H new ATOM 0 HA ALA A 50 2.982 8.026 -5.165 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.071 9.274 -5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.378 7.614 -4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.674 8.045 -6.563 1.00 0.00 H new ATOM 774 N SER A 51 2.505 7.982 -8.194 1.00 0.00 N ATOM 775 CA SER A 51 1.930 8.650 -9.349 1.00 0.00 C ATOM 776 C SER A 51 0.522 9.149 -9.019 1.00 0.00 C ATOM 777 O SER A 51 0.067 10.148 -9.575 1.00 0.00 O ATOM 778 CB SER A 51 1.891 7.717 -10.562 1.00 0.00 C ATOM 779 OG SER A 51 0.938 6.670 -10.399 1.00 0.00 O ATOM 0 H SER A 51 2.469 6.963 -8.228 1.00 0.00 H new ATOM 0 HA SER A 51 2.561 9.503 -9.599 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.648 8.293 -11.455 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.880 7.286 -10.720 1.00 0.00 H new ATOM 0 HG SER A 51 1.371 5.895 -9.984 1.00 0.00 H new ATOM 785 N CYS A 52 -0.128 8.433 -8.114 1.00 0.00 N ATOM 786 CA CYS A 52 -1.475 8.791 -7.702 1.00 0.00 C ATOM 787 C CYS A 52 -1.448 9.123 -6.209 1.00 0.00 C ATOM 788 O CYS A 52 -1.978 10.146 -5.781 1.00 0.00 O ATOM 789 CB CYS A 52 -2.478 7.681 -8.023 1.00 0.00 C ATOM 790 SG CYS A 52 -2.611 7.462 -9.835 1.00 0.00 S ATOM 0 H CYS A 52 0.253 7.606 -7.654 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.810 9.665 -8.261 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.161 6.748 -7.558 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.454 7.930 -7.606 1.00 0.00 H new ATOM 0 HG CYS A 52 -3.463 6.516 -10.096 1.00 0.00 H new ATOM 795 N HIS A 53 -0.819 8.230 -5.444 1.00 0.00 N ATOM 796 CA HIS A 53 -0.692 8.375 -3.999 1.00 0.00 C ATOM 797 C HIS A 53 0.503 9.290 -3.671 1.00 0.00 C ATOM 798 O HIS A 53 0.932 9.359 -2.520 1.00 0.00 O ATOM 799 CB HIS A 53 -0.611 6.979 -3.364 1.00 0.00 C ATOM 800 CG HIS A 53 -1.725 6.015 -3.699 1.00 0.00 C ATOM 801 ND1 HIS A 53 -2.997 6.237 -3.356 1.00 0.00 N ATOM 802 CD2 HIS A 53 -1.712 4.811 -4.362 1.00 0.00 C ATOM 803 CE1 HIS A 53 -3.748 5.212 -3.788 1.00 0.00 C ATOM 804 NE2 HIS A 53 -3.004 4.303 -4.416 1.00 0.00 N ATOM 0 H HIS A 53 -0.383 7.385 -5.813 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.566 8.864 -3.569 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.334 6.524 -3.662 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.579 7.099 -2.281 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -3.341 7.052 -2.849 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.835 4.335 -4.776 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.816 5.134 -3.645 1.00 0.00 H new ATOM 812 N THR A 54 0.999 9.964 -4.698 1.00 0.00 N ATOM 813 CA THR A 54 2.127 10.865 -4.528 1.00 0.00 C ATOM 814 C THR A 54 3.269 10.156 -3.798 1.00 0.00 C ATOM 815 O THR A 54 3.093 9.052 -3.285 1.00 0.00 O ATOM 816 CB THR A 54 1.627 12.116 -3.804 1.00 0.00 C ATOM 817 OG1 THR A 54 1.045 11.615 -2.604 1.00 0.00 O ATOM 818 CG2 THR A 54 0.460 12.787 -4.532 1.00 0.00 C ATOM 0 H THR A 54 0.641 9.904 -5.651 1.00 0.00 H new ATOM 0 HA THR A 54 2.538 11.171 -5.490 1.00 0.00 H new ATOM 0 HB THR A 54 2.447 12.826 -3.700 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.650 10.962 -2.195 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.144 13.670 -3.976 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.777 13.082 -5.532 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.373 12.088 -4.607 1.00 0.00 H new ATOM 826 N ASN A 55 4.415 10.821 -3.773 1.00 0.00 N ATOM 827 CA ASN A 55 5.587 10.268 -3.115 1.00 0.00 C ATOM 828 C ASN A 55 5.212 9.837 -1.695 1.00 0.00 C ATOM 829 O ASN A 55 5.850 8.955 -1.122 1.00 0.00 O ATOM 830 CB ASN A 55 6.704 11.309 -3.013 1.00 0.00 C ATOM 831 CG ASN A 55 6.223 12.559 -2.273 1.00 0.00 C ATOM 832 OD1 ASN A 55 6.195 12.618 -1.055 1.00 0.00 O ATOM 833 ND2 ASN A 55 5.847 13.551 -3.075 1.00 0.00 N ATOM 0 H ASN A 55 4.557 11.737 -4.198 1.00 0.00 H new ATOM 0 HA ASN A 55 5.937 9.420 -3.704 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.559 10.880 -2.491 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.044 11.582 -4.012 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.510 14.428 -2.678 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.896 13.435 -4.087 1.00 0.00 H new ATOM 840 N ASN A 56 4.180 10.478 -1.169 1.00 0.00 N ATOM 841 CA ASN A 56 3.713 10.172 0.172 1.00 0.00 C ATOM 842 C ASN A 56 2.198 9.959 0.144 1.00 0.00 C ATOM 843 O ASN A 56 1.430 10.797 -0.323 1.00 0.00 O ATOM 844 CB ASN A 56 4.011 11.323 1.136 1.00 0.00 C ATOM 845 CG ASN A 56 4.376 10.795 2.524 1.00 0.00 C ATOM 846 OD1 ASN A 56 5.032 9.777 2.677 1.00 0.00 O ATOM 847 ND2 ASN A 56 3.917 11.541 3.525 1.00 0.00 N ATOM 0 H ASN A 56 3.653 11.209 -1.647 1.00 0.00 H new ATOM 0 HA ASN A 56 4.230 9.274 0.512 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.831 11.926 0.745 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.141 11.976 1.209 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.108 11.273 4.490 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.374 12.382 3.327 1.00 0.00 H new ATOM 854 N PRO A 57 1.781 8.802 0.663 1.00 0.00 N ATOM 855 CA PRO A 57 0.394 8.395 0.740 1.00 0.00 C ATOM 856 C PRO A 57 -0.326 9.233 1.787 1.00 0.00 C ATOM 857 O PRO A 57 -1.475 9.609 1.559 1.00 0.00 O ATOM 858 CB PRO A 57 0.440 6.925 1.153 1.00 0.00 C ATOM 859 CG PRO A 57 1.730 6.829 1.956 1.00 0.00 C ATOM 860 CD PRO A 57 2.657 7.794 1.220 1.00 0.00 C ATOM 0 HA PRO A 57 -0.141 8.531 -0.200 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.428 6.647 1.751 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.455 6.264 0.287 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.583 7.123 2.995 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.127 5.814 1.965 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.386 8.236 1.899 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.218 7.283 0.438 1.00 0.00 H new ATOM 868 N ALA A 58 0.347 9.506 2.895 1.00 0.00 N ATOM 869 CA ALA A 58 -0.250 10.298 3.957 1.00 0.00 C ATOM 870 C ALA A 58 -0.648 11.668 3.404 1.00 0.00 C ATOM 871 O ALA A 58 -1.423 12.391 4.028 1.00 0.00 O ATOM 872 CB ALA A 58 0.730 10.404 5.127 1.00 0.00 C ATOM 0 H ALA A 58 1.300 9.193 3.080 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.154 9.818 4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.282 10.998 5.924 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.958 9.406 5.502 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.649 10.883 4.790 1.00 0.00 H new ATOM 878 N ASN A 59 -0.100 11.982 2.239 1.00 0.00 N ATOM 879 CA ASN A 59 -0.389 13.252 1.595 1.00 0.00 C ATOM 880 C ASN A 59 -1.605 13.091 0.681 1.00 0.00 C ATOM 881 O ASN A 59 -2.099 11.981 0.489 1.00 0.00 O ATOM 882 CB ASN A 59 0.790 13.715 0.738 1.00 0.00 C ATOM 883 CG ASN A 59 0.825 15.241 0.631 1.00 0.00 C ATOM 884 OD1 ASN A 59 -0.161 15.927 0.848 1.00 0.00 O ATOM 885 ND2 ASN A 59 2.011 15.733 0.285 1.00 0.00 N ATOM 0 H ASN A 59 0.542 11.379 1.725 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.580 13.990 2.374 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.723 13.356 1.172 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.714 13.279 -0.258 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.136 16.741 0.187 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.795 15.103 0.118 1.00 0.00 H new ATOM 892 N VAL A 60 -2.052 14.214 0.140 1.00 0.00 N ATOM 893 CA VAL A 60 -3.200 14.211 -0.751 1.00 0.00 C ATOM 894 C VAL A 60 -2.778 13.673 -2.119 1.00 0.00 C ATOM 895 O VAL A 60 -1.783 14.121 -2.686 1.00 0.00 O ATOM 896 CB VAL A 60 -3.811 15.613 -0.822 1.00 0.00 C ATOM 897 CG1 VAL A 60 -4.905 15.680 -1.890 1.00 0.00 C ATOM 898 CG2 VAL A 60 -4.349 16.046 0.543 1.00 0.00 C ATOM 0 H VAL A 60 -1.640 15.133 0.301 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.978 13.550 -0.369 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.022 16.309 -1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.323 16.686 -1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.479 15.435 -2.863 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.693 14.967 -1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.778 17.045 0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.118 15.346 0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.535 16.056 1.268 1.00 0.00 H new ATOM 908 N GLY A 61 -3.556 12.718 -2.609 1.00 0.00 N ATOM 909 CA GLY A 61 -3.275 12.114 -3.900 1.00 0.00 C ATOM 910 C GLY A 61 -4.194 12.682 -4.983 1.00 0.00 C ATOM 911 O GLY A 61 -4.962 13.608 -4.728 1.00 0.00 O ATOM 0 H GLY A 61 -4.380 12.348 -2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.234 12.293 -4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.406 11.034 -3.836 1.00 0.00 H new ATOM 915 N LYS A 62 -4.084 12.104 -6.170 1.00 0.00 N ATOM 916 CA LYS A 62 -4.895 12.542 -7.294 1.00 0.00 C ATOM 917 C LYS A 62 -4.929 11.439 -8.353 1.00 0.00 C ATOM 918 O LYS A 62 -3.901 10.840 -8.664 1.00 0.00 O ATOM 919 CB LYS A 62 -4.397 13.888 -7.823 1.00 0.00 C ATOM 920 CG LYS A 62 -5.093 14.253 -9.136 1.00 0.00 C ATOM 921 CD LYS A 62 -4.561 15.576 -9.689 1.00 0.00 C ATOM 922 CE LYS A 62 -5.435 16.081 -10.838 1.00 0.00 C ATOM 923 NZ LYS A 62 -4.824 15.741 -12.142 1.00 0.00 N ATOM 0 H LYS A 62 -3.446 11.336 -6.378 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.924 12.712 -6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.582 14.665 -7.081 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.319 13.845 -7.978 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.937 13.460 -9.867 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.168 14.329 -8.973 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.533 16.321 -8.894 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.537 15.443 -10.038 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.429 15.638 -10.769 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.561 17.161 -10.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.430 16.091 -12.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.886 16.184 -12.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.726 14.709 -12.221 1.00 0.00 H new ATOM 937 N ASN A 63 -6.122 11.203 -8.879 1.00 0.00 N ATOM 938 CA ASN A 63 -6.304 10.183 -9.897 1.00 0.00 C ATOM 939 C ASN A 63 -5.988 10.777 -11.271 1.00 0.00 C ATOM 940 O ASN A 63 -6.536 11.814 -11.644 1.00 0.00 O ATOM 941 CB ASN A 63 -7.748 9.678 -9.921 1.00 0.00 C ATOM 942 CG ASN A 63 -8.011 8.714 -8.762 1.00 0.00 C ATOM 943 OD1 ASN A 63 -7.104 8.232 -8.104 1.00 0.00 O ATOM 944 ND2 ASN A 63 -9.299 8.461 -8.551 1.00 0.00 N ATOM 0 H ASN A 63 -6.973 11.702 -8.619 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.636 9.353 -9.665 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.434 10.523 -9.859 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.946 9.176 -10.868 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.578 7.829 -7.800 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -10.008 8.899 -9.140 1.00 0.00 H new ATOM 951 N ILE A 64 -5.106 10.096 -11.987 1.00 0.00 N ATOM 952 CA ILE A 64 -4.711 10.544 -13.312 1.00 0.00 C ATOM 953 C ILE A 64 -5.747 10.072 -14.335 1.00 0.00 C ATOM 954 O ILE A 64 -5.562 10.251 -15.538 1.00 0.00 O ATOM 955 CB ILE A 64 -3.284 10.091 -13.627 1.00 0.00 C ATOM 956 CG1 ILE A 64 -3.262 8.635 -14.096 1.00 0.00 C ATOM 957 CG2 ILE A 64 -2.358 10.322 -12.432 1.00 0.00 C ATOM 958 CD1 ILE A 64 -1.859 8.225 -14.548 1.00 0.00 C ATOM 0 H ILE A 64 -4.653 9.237 -11.675 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.692 11.633 -13.357 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.906 10.700 -14.448 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.592 7.984 -13.287 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.966 8.503 -14.918 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.350 9.991 -12.683 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.341 11.384 -12.185 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.722 9.756 -11.575 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.872 7.186 -14.876 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.542 8.862 -15.373 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.162 8.334 -13.717 1.00 0.00 H new ATOM 970 N VAL A 65 -6.813 9.479 -13.819 1.00 0.00 N ATOM 971 CA VAL A 65 -7.878 8.980 -14.672 1.00 0.00 C ATOM 972 C VAL A 65 -8.869 10.111 -14.957 1.00 0.00 C ATOM 973 O VAL A 65 -9.179 10.392 -16.114 1.00 0.00 O ATOM 974 CB VAL A 65 -8.535 7.757 -14.029 1.00 0.00 C ATOM 975 CG1 VAL A 65 -9.781 7.331 -14.808 1.00 0.00 C ATOM 976 CG2 VAL A 65 -7.540 6.601 -13.909 1.00 0.00 C ATOM 0 H VAL A 65 -6.962 9.333 -12.821 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.477 8.650 -15.630 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.849 8.034 -13.023 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.229 6.460 -14.330 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.501 8.149 -14.818 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.502 7.080 -15.831 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.032 5.744 -13.449 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.182 6.325 -14.901 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.696 6.910 -13.292 1.00 0.00 H new ATOM 986 N THR A 66 -9.339 10.728 -13.883 1.00 0.00 N ATOM 987 CA THR A 66 -10.288 11.821 -14.003 1.00 0.00 C ATOM 988 C THR A 66 -9.625 13.147 -13.623 1.00 0.00 C ATOM 989 O THR A 66 -9.950 14.191 -14.187 1.00 0.00 O ATOM 990 CB THR A 66 -11.508 11.484 -13.144 1.00 0.00 C ATOM 991 OG1 THR A 66 -10.974 11.314 -11.833 1.00 0.00 O ATOM 992 CG2 THR A 66 -12.104 10.116 -13.483 1.00 0.00 C ATOM 0 H THR A 66 -9.080 10.491 -12.925 1.00 0.00 H new ATOM 0 HA THR A 66 -10.622 11.944 -15.033 1.00 0.00 H new ATOM 0 HB THR A 66 -12.268 12.254 -13.276 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.698 11.095 -11.211 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.967 9.927 -12.844 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.416 10.104 -14.527 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.354 9.342 -13.319 1.00 0.00 H new ATOM 1000 N GLY A 67 -8.709 13.062 -12.670 1.00 0.00 N ATOM 1001 CA GLY A 67 -7.998 14.242 -12.209 1.00 0.00 C ATOM 1002 C GLY A 67 -8.837 15.029 -11.200 1.00 0.00 C ATOM 1003 O GLY A 67 -8.797 16.258 -11.179 1.00 0.00 O ATOM 0 H GLY A 67 -8.443 12.194 -12.204 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.054 13.946 -11.750 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.753 14.879 -13.059 1.00 0.00 H new ATOM 1007 N LYS A 68 -9.578 14.288 -10.390 1.00 0.00 N ATOM 1008 CA LYS A 68 -10.426 14.900 -9.381 1.00 0.00 C ATOM 1009 C LYS A 68 -9.584 15.236 -8.149 1.00 0.00 C ATOM 1010 O LYS A 68 -8.958 16.293 -8.089 1.00 0.00 O ATOM 1011 CB LYS A 68 -11.630 14.007 -9.078 1.00 0.00 C ATOM 1012 CG LYS A 68 -12.734 14.203 -10.119 1.00 0.00 C ATOM 1013 CD LYS A 68 -14.094 13.775 -9.564 1.00 0.00 C ATOM 1014 CE LYS A 68 -15.075 13.464 -10.696 1.00 0.00 C ATOM 1015 NZ LYS A 68 -16.395 13.080 -10.147 1.00 0.00 N ATOM 0 H LYS A 68 -9.609 13.269 -10.412 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.840 15.838 -9.750 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.319 12.963 -9.065 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.017 14.236 -8.085 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.773 15.250 -10.420 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.503 13.623 -11.013 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.972 12.896 -8.932 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.499 14.567 -8.934 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.183 14.336 -11.342 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.682 12.656 -11.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.049 12.872 -10.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.290 12.235 -9.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.775 13.862 -9.577 1.00 0.00 H new ATOM 1029 N GLU A 69 -9.595 14.316 -7.195 1.00 0.00 N ATOM 1030 CA GLU A 69 -8.840 14.501 -5.968 1.00 0.00 C ATOM 1031 C GLU A 69 -9.008 13.286 -5.053 1.00 0.00 C ATOM 1032 O GLU A 69 -10.129 12.913 -4.710 1.00 0.00 O ATOM 1033 CB GLU A 69 -9.261 15.787 -5.254 1.00 0.00 C ATOM 1034 CG GLU A 69 -10.570 15.585 -4.488 1.00 0.00 C ATOM 1035 CD GLU A 69 -11.045 16.897 -3.860 1.00 0.00 C ATOM 1036 OE1 GLU A 69 -11.568 17.736 -4.626 1.00 0.00 O ATOM 1037 OE2 GLU A 69 -10.875 17.032 -2.629 1.00 0.00 O ATOM 0 H GLU A 69 -10.115 13.440 -7.248 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.785 14.595 -6.224 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.476 16.098 -4.564 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.382 16.589 -5.982 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.335 15.203 -5.163 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.428 14.835 -3.710 1.00 0.00 H new ATOM 1044 N ILE A 70 -7.877 12.702 -4.685 1.00 0.00 N ATOM 1045 CA ILE A 70 -7.885 11.536 -3.816 1.00 0.00 C ATOM 1046 C ILE A 70 -7.329 11.924 -2.445 1.00 0.00 C ATOM 1047 O ILE A 70 -6.125 12.069 -2.246 1.00 0.00 O ATOM 1048 CB ILE A 70 -7.142 10.373 -4.475 1.00 0.00 C ATOM 1049 CG1 ILE A 70 -7.707 10.078 -5.866 1.00 0.00 C ATOM 1050 CG2 ILE A 70 -7.156 9.134 -3.576 1.00 0.00 C ATOM 1051 CD1 ILE A 70 -8.835 9.048 -5.793 1.00 0.00 C ATOM 0 H ILE A 70 -6.949 13.014 -4.972 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.905 11.184 -3.658 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.100 10.664 -4.606 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.080 10.999 -6.314 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.913 9.707 -6.514 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.621 8.322 -4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.671 9.367 -2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.186 8.830 -3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.219 8.857 -6.795 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.453 8.120 -5.367 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.638 9.432 -5.164 1.00 0.00 H new ATOM 1063 N PRO A 71 -8.248 12.091 -1.490 1.00 0.00 N ATOM 1064 CA PRO A 71 -7.946 12.455 -0.123 1.00 0.00 C ATOM 1065 C PRO A 71 -6.906 11.498 0.443 1.00 0.00 C ATOM 1066 O PRO A 71 -6.627 10.460 -0.151 1.00 0.00 O ATOM 1067 CB PRO A 71 -9.274 12.323 0.620 1.00 0.00 C ATOM 1068 CG PRO A 71 -10.316 12.542 -0.448 1.00 0.00 C ATOM 1069 CD PRO A 71 -9.671 11.928 -1.689 1.00 0.00 C ATOM 0 HA PRO A 71 -7.535 13.461 -0.033 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.377 11.341 1.082 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -9.360 13.061 1.418 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.258 12.053 -0.199 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.534 13.601 -0.588 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.937 10.876 -1.793 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.003 12.432 -2.597 1.00 0.00 H new ATOM 1077 N PRO A 72 -6.332 11.852 1.596 1.00 0.00 N ATOM 1078 CA PRO A 72 -5.326 11.069 2.280 1.00 0.00 C ATOM 1079 C PRO A 72 -5.714 9.597 2.246 1.00 0.00 C ATOM 1080 O PRO A 72 -6.840 9.271 2.619 1.00 0.00 O ATOM 1081 CB PRO A 72 -5.322 11.601 3.711 1.00 0.00 C ATOM 1082 CG PRO A 72 -6.507 12.688 3.795 1.00 0.00 C ATOM 1083 CD PRO A 72 -6.637 13.066 2.321 1.00 0.00 C ATOM 0 HA PRO A 72 -4.341 11.149 1.820 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.484 10.794 4.426 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.361 12.054 3.954 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.428 12.268 4.199 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.245 13.541 4.421 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.642 13.421 2.092 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.947 13.868 2.057 1.00 0.00 H new ATOM 1091 N LEU A 73 -4.795 8.751 1.805 1.00 0.00 N ATOM 1092 CA LEU A 73 -5.065 7.325 1.731 1.00 0.00 C ATOM 1093 C LEU A 73 -4.468 6.633 2.958 1.00 0.00 C ATOM 1094 O LEU A 73 -4.905 5.548 3.337 1.00 0.00 O ATOM 1095 CB LEU A 73 -4.568 6.754 0.401 1.00 0.00 C ATOM 1096 CG LEU A 73 -5.260 5.478 -0.081 1.00 0.00 C ATOM 1097 CD1 LEU A 73 -6.581 5.801 -0.782 1.00 0.00 C ATOM 1098 CD2 LEU A 73 -4.328 4.650 -0.968 1.00 0.00 C ATOM 0 H LEU A 73 -3.863 9.025 1.495 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.139 7.139 1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.685 7.519 -0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.500 6.553 0.491 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.499 4.870 0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.052 4.876 -1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.245 6.317 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.389 6.440 -1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.845 3.748 -1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.036 5.238 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.439 4.372 -0.402 1.00 0.00 H new ATOM 1110 N ALA A 74 -3.479 7.290 3.546 1.00 0.00 N ATOM 1111 CA ALA A 74 -2.818 6.752 4.723 1.00 0.00 C ATOM 1112 C ALA A 74 -3.851 6.047 5.605 1.00 0.00 C ATOM 1113 O ALA A 74 -4.577 6.665 6.380 1.00 0.00 O ATOM 1114 CB ALA A 74 -2.092 7.878 5.461 1.00 0.00 C ATOM 0 H ALA A 74 -3.119 8.190 3.229 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.069 6.013 4.438 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.596 7.474 6.344 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.349 8.326 4.801 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.812 8.637 5.765 1.00 0.00 H new ATOM 1120 N PRO A 75 -3.899 4.720 5.466 1.00 0.00 N ATOM 1121 CA PRO A 75 -4.797 3.855 6.201 1.00 0.00 C ATOM 1122 C PRO A 75 -4.429 3.873 7.678 1.00 0.00 C ATOM 1123 O PRO A 75 -4.183 2.808 8.241 1.00 0.00 O ATOM 1124 CB PRO A 75 -4.583 2.467 5.600 1.00 0.00 C ATOM 1125 CG PRO A 75 -3.829 2.669 4.302 1.00 0.00 C ATOM 1126 CD PRO A 75 -3.059 3.961 4.564 1.00 0.00 C ATOM 0 HA PRO A 75 -5.839 4.166 6.129 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.017 1.833 6.282 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.537 1.971 5.421 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.161 1.835 4.087 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.504 2.764 3.451 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.085 3.757 5.009 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.878 4.508 3.638 1.00 0.00 H new ATOM 1134 N ARG A 76 -4.397 5.059 8.267 1.00 0.00 N ATOM 1135 CA ARG A 76 -4.056 5.187 9.674 1.00 0.00 C ATOM 1136 C ARG A 76 -4.328 6.612 10.159 1.00 0.00 C ATOM 1137 O ARG A 76 -5.020 6.811 11.156 1.00 0.00 O ATOM 1138 CB ARG A 76 -2.584 4.845 9.917 1.00 0.00 C ATOM 1139 CG ARG A 76 -2.328 4.544 11.394 1.00 0.00 C ATOM 1140 CD ARG A 76 -1.015 5.173 11.863 1.00 0.00 C ATOM 1141 NE ARG A 76 -0.812 4.909 13.305 1.00 0.00 N ATOM 1142 CZ ARG A 76 0.312 5.202 13.972 1.00 0.00 C ATOM 1143 NH1 ARG A 76 1.343 5.770 13.331 1.00 0.00 N ATOM 1144 NH2 ARG A 76 0.406 4.926 15.280 1.00 0.00 N ATOM 0 H ARG A 76 -4.602 5.940 7.796 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.677 4.486 10.231 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.303 3.983 9.312 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.956 5.677 9.598 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.153 4.926 11.995 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.294 3.466 11.548 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.182 4.765 11.290 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.032 6.248 11.681 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.576 4.477 13.824 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.272 5.979 12.335 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.199 5.993 13.839 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.378 4.493 15.767 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.262 5.149 15.788 1.00 0.00 H new ATOM 1158 N VAL A 77 -3.770 7.568 9.431 1.00 0.00 N ATOM 1159 CA VAL A 77 -3.944 8.969 9.774 1.00 0.00 C ATOM 1160 C VAL A 77 -5.431 9.257 9.986 1.00 0.00 C ATOM 1161 O VAL A 77 -5.801 9.995 10.898 1.00 0.00 O ATOM 1162 CB VAL A 77 -3.311 9.854 8.699 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -3.831 11.290 8.794 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -1.784 9.817 8.788 1.00 0.00 C ATOM 0 H VAL A 77 -3.197 7.400 8.604 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.432 9.199 10.708 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.600 9.457 7.726 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.365 11.898 8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.912 11.295 8.658 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.587 11.701 9.773 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.359 10.454 8.013 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.468 10.176 9.767 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.436 8.794 8.647 1.00 0.00 H new ATOM 1174 N ASN A 78 -6.245 8.659 9.128 1.00 0.00 N ATOM 1175 CA ASN A 78 -7.684 8.842 9.209 1.00 0.00 C ATOM 1176 C ASN A 78 -8.308 7.635 9.912 1.00 0.00 C ATOM 1177 O ASN A 78 -7.844 6.508 9.748 1.00 0.00 O ATOM 1178 CB ASN A 78 -8.305 8.951 7.815 1.00 0.00 C ATOM 1179 CG ASN A 78 -7.392 9.731 6.867 1.00 0.00 C ATOM 1180 OD1 ASN A 78 -6.343 10.228 7.243 1.00 0.00 O ATOM 1181 ND2 ASN A 78 -7.847 9.809 5.620 1.00 0.00 N ATOM 0 H ASN A 78 -5.935 8.047 8.373 1.00 0.00 H new ATOM 0 HA ASN A 78 -7.877 9.761 9.762 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -8.484 7.953 7.414 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -9.274 9.446 7.882 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -7.309 10.308 4.911 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.734 9.370 5.372 1.00 0.00 H new ATOM 1188 N THR A 79 -9.352 7.912 10.680 1.00 0.00 N ATOM 1189 CA THR A 79 -10.045 6.862 11.408 1.00 0.00 C ATOM 1190 C THR A 79 -11.118 6.221 10.527 1.00 0.00 C ATOM 1191 O THR A 79 -11.846 5.335 10.974 1.00 0.00 O ATOM 1192 CB THR A 79 -10.601 7.470 12.698 1.00 0.00 C ATOM 1193 OG1 THR A 79 -11.697 8.268 12.261 1.00 0.00 O ATOM 1194 CG2 THR A 79 -9.638 8.474 13.334 1.00 0.00 C ATOM 0 H THR A 79 -9.735 8.848 10.814 1.00 0.00 H new ATOM 0 HA THR A 79 -9.366 6.053 11.678 1.00 0.00 H new ATOM 0 HB THR A 79 -10.818 6.674 13.411 1.00 0.00 H new ATOM 0 HG1 THR A 79 -12.117 8.698 13.035 1.00 0.00 H new ATOM 0 HG21 THR A 79 -10.081 8.875 14.246 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.699 7.975 13.575 1.00 0.00 H new ATOM 0 HG23 THR A 79 -9.447 9.288 12.635 1.00 0.00 H new ATOM 1202 N LYS A 80 -11.183 6.692 9.290 1.00 0.00 N ATOM 1203 CA LYS A 80 -12.155 6.175 8.342 1.00 0.00 C ATOM 1204 C LYS A 80 -11.424 5.428 7.225 1.00 0.00 C ATOM 1205 O LYS A 80 -11.774 5.559 6.053 1.00 0.00 O ATOM 1206 CB LYS A 80 -13.062 7.300 7.838 1.00 0.00 C ATOM 1207 CG LYS A 80 -14.151 7.627 8.862 1.00 0.00 C ATOM 1208 CD LYS A 80 -15.527 7.694 8.197 1.00 0.00 C ATOM 1209 CE LYS A 80 -15.950 9.144 7.958 1.00 0.00 C ATOM 1210 NZ LYS A 80 -15.153 9.743 6.864 1.00 0.00 N ATOM 0 H LYS A 80 -10.578 7.426 8.923 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.816 5.457 8.827 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.466 8.191 7.639 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.522 7.006 6.894 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.158 6.869 9.645 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.929 8.580 9.343 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.503 7.157 7.249 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -16.264 7.196 8.827 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.010 9.183 7.707 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -15.817 9.723 8.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.453 10.728 6.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.145 9.723 7.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.301 9.200 5.989 1.00 0.00 H new ATOM 1224 N ARG A 81 -10.422 4.659 7.628 1.00 0.00 N ATOM 1225 CA ARG A 81 -9.639 3.891 6.675 1.00 0.00 C ATOM 1226 C ARG A 81 -9.220 2.554 7.290 1.00 0.00 C ATOM 1227 O ARG A 81 -9.147 2.423 8.511 1.00 0.00 O ATOM 1228 CB ARG A 81 -8.389 4.659 6.242 1.00 0.00 C ATOM 1229 CG ARG A 81 -8.765 5.920 5.461 1.00 0.00 C ATOM 1230 CD ARG A 81 -8.849 5.631 3.961 1.00 0.00 C ATOM 1231 NE ARG A 81 -9.162 6.875 3.223 1.00 0.00 N ATOM 1232 CZ ARG A 81 -10.405 7.314 2.983 1.00 0.00 C ATOM 1233 NH1 ARG A 81 -11.459 6.614 3.421 1.00 0.00 N ATOM 1234 NH2 ARG A 81 -10.593 8.455 2.304 1.00 0.00 N ATOM 0 H ARG A 81 -10.135 4.552 8.601 1.00 0.00 H new ATOM 0 HA ARG A 81 -10.263 3.714 5.799 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.803 4.931 7.120 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.760 4.018 5.624 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.723 6.300 5.816 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.025 6.700 5.644 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.904 5.217 3.608 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.617 4.881 3.769 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.382 7.433 2.875 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.316 5.746 3.938 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -12.405 6.949 3.238 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.790 8.988 1.970 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -11.539 8.790 2.121 1.00 0.00 H new ATOM 1248 N PHE A 82 -8.955 1.594 6.415 1.00 0.00 N ATOM 1249 CA PHE A 82 -8.545 0.272 6.857 1.00 0.00 C ATOM 1250 C PHE A 82 -9.461 -0.244 7.969 1.00 0.00 C ATOM 1251 O PHE A 82 -8.991 -0.836 8.939 1.00 0.00 O ATOM 1252 CB PHE A 82 -7.122 0.404 7.404 1.00 0.00 C ATOM 1253 CG PHE A 82 -6.035 -0.047 6.426 1.00 0.00 C ATOM 1254 CD1 PHE A 82 -6.319 -0.169 5.102 1.00 0.00 C ATOM 1255 CD2 PHE A 82 -4.784 -0.325 6.882 1.00 0.00 C ATOM 1256 CE1 PHE A 82 -5.310 -0.587 4.195 1.00 0.00 C ATOM 1257 CE2 PHE A 82 -3.775 -0.743 5.975 1.00 0.00 C ATOM 1258 CZ PHE A 82 -4.059 -0.865 4.650 1.00 0.00 C ATOM 0 H PHE A 82 -9.016 1.706 5.403 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.597 -0.431 6.025 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.943 1.444 7.675 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.039 -0.183 8.319 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -7.312 0.052 4.740 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.558 -0.228 7.934 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.536 -0.684 3.143 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.782 -0.964 6.337 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.291 -1.182 3.960 1.00 0.00 H new ATOM 1268 N THR A 83 -10.751 0.000 7.790 1.00 0.00 N ATOM 1269 CA THR A 83 -11.736 -0.432 8.766 1.00 0.00 C ATOM 1270 C THR A 83 -12.691 -1.453 8.144 1.00 0.00 C ATOM 1271 O THR A 83 -13.907 -1.341 8.292 1.00 0.00 O ATOM 1272 CB THR A 83 -12.444 0.812 9.305 1.00 0.00 C ATOM 1273 OG1 THR A 83 -11.429 1.504 10.027 1.00 0.00 O ATOM 1274 CG2 THR A 83 -13.493 0.475 10.368 1.00 0.00 C ATOM 0 H THR A 83 -11.136 0.491 6.984 1.00 0.00 H new ATOM 0 HA THR A 83 -11.264 -0.944 9.604 1.00 0.00 H new ATOM 0 HB THR A 83 -12.920 1.344 8.481 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.758 1.847 9.401 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.965 1.393 10.717 1.00 0.00 H new ATOM 0 HG22 THR A 83 -14.249 -0.181 9.938 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.012 -0.027 11.207 1.00 0.00 H new ATOM 1282 N ASP A 84 -12.104 -2.425 7.461 1.00 0.00 N ATOM 1283 CA ASP A 84 -12.887 -3.465 6.816 1.00 0.00 C ATOM 1284 C ASP A 84 -11.944 -4.509 6.215 1.00 0.00 C ATOM 1285 O ASP A 84 -11.861 -4.646 4.995 1.00 0.00 O ATOM 1286 CB ASP A 84 -13.740 -2.889 5.683 1.00 0.00 C ATOM 1287 CG ASP A 84 -14.558 -3.920 4.903 1.00 0.00 C ATOM 1288 OD1 ASP A 84 -14.339 -5.125 5.151 1.00 0.00 O ATOM 1289 OD2 ASP A 84 -15.385 -3.479 4.075 1.00 0.00 O ATOM 0 H ASP A 84 -11.095 -2.514 7.340 1.00 0.00 H new ATOM 0 HA ASP A 84 -13.539 -3.911 7.567 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.421 -2.148 6.102 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -13.086 -2.364 4.987 1.00 0.00 H new ATOM 1294 N ILE A 85 -11.256 -5.217 7.098 1.00 0.00 N ATOM 1295 CA ILE A 85 -10.322 -6.244 6.670 1.00 0.00 C ATOM 1296 C ILE A 85 -10.932 -7.030 5.507 1.00 0.00 C ATOM 1297 O ILE A 85 -10.292 -7.211 4.472 1.00 0.00 O ATOM 1298 CB ILE A 85 -9.908 -7.120 7.854 1.00 0.00 C ATOM 1299 CG1 ILE A 85 -9.144 -6.304 8.899 1.00 0.00 C ATOM 1300 CG2 ILE A 85 -9.111 -8.338 7.383 1.00 0.00 C ATOM 1301 CD1 ILE A 85 -9.020 -7.076 10.214 1.00 0.00 C ATOM 0 H ILE A 85 -11.327 -5.100 8.109 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.402 -5.791 6.301 1.00 0.00 H new ATOM 0 HB ILE A 85 -10.812 -7.493 8.335 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.151 -6.061 8.521 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.658 -5.359 9.075 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.829 -8.944 8.244 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.723 -8.933 6.705 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.212 -8.006 6.863 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -8.473 -6.474 10.939 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -10.015 -7.296 10.602 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -8.484 -8.009 10.039 1.00 0.00 H new ATOM 1313 N ASP A 86 -12.162 -7.474 5.717 1.00 0.00 N ATOM 1314 CA ASP A 86 -12.866 -8.236 4.700 1.00 0.00 C ATOM 1315 C ASP A 86 -12.561 -7.644 3.322 1.00 0.00 C ATOM 1316 O ASP A 86 -12.062 -8.341 2.440 1.00 0.00 O ATOM 1317 CB ASP A 86 -14.380 -8.176 4.915 1.00 0.00 C ATOM 1318 CG ASP A 86 -14.835 -8.355 6.365 1.00 0.00 C ATOM 1319 OD1 ASP A 86 -14.427 -9.372 6.966 1.00 0.00 O ATOM 1320 OD2 ASP A 86 -15.580 -7.471 6.839 1.00 0.00 O ATOM 0 H ASP A 86 -12.689 -7.321 6.577 1.00 0.00 H new ATOM 0 HA ASP A 86 -12.533 -9.272 4.765 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.746 -7.216 4.551 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.849 -8.948 4.305 1.00 0.00 H new ATOM 1325 N LYS A 87 -12.872 -6.364 3.182 1.00 0.00 N ATOM 1326 CA LYS A 87 -12.637 -5.670 1.927 1.00 0.00 C ATOM 1327 C LYS A 87 -11.354 -4.844 2.039 1.00 0.00 C ATOM 1328 O LYS A 87 -11.379 -3.718 2.533 1.00 0.00 O ATOM 1329 CB LYS A 87 -13.865 -4.849 1.530 1.00 0.00 C ATOM 1330 CG LYS A 87 -14.754 -5.626 0.557 1.00 0.00 C ATOM 1331 CD LYS A 87 -15.924 -6.285 1.289 1.00 0.00 C ATOM 1332 CE LYS A 87 -16.572 -7.369 0.425 1.00 0.00 C ATOM 1333 NZ LYS A 87 -18.024 -7.452 0.698 1.00 0.00 N ATOM 0 H LYS A 87 -13.285 -5.789 3.917 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.487 -6.385 1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.436 -4.589 2.421 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.548 -3.913 1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.134 -4.952 -0.211 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.163 -6.388 0.048 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.573 -6.722 2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.666 -5.530 1.549 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.407 -7.149 -0.630 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.103 -8.332 0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.447 -8.193 0.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.176 -7.684 1.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.471 -6.538 0.483 1.00 0.00 H new ATOM 1347 N VAL A 88 -10.265 -5.435 1.571 1.00 0.00 N ATOM 1348 CA VAL A 88 -8.975 -4.767 1.613 1.00 0.00 C ATOM 1349 C VAL A 88 -7.888 -5.736 1.143 1.00 0.00 C ATOM 1350 O VAL A 88 -6.920 -5.327 0.504 1.00 0.00 O ATOM 1351 CB VAL A 88 -8.717 -4.214 3.016 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -7.542 -4.934 3.681 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -8.482 -2.703 2.975 1.00 0.00 C ATOM 0 H VAL A 88 -10.249 -6.369 1.161 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.965 -3.914 0.935 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.607 -4.398 3.618 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.379 -4.522 4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.765 -5.998 3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.643 -4.796 3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.301 -2.335 3.985 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.616 -2.486 2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.361 -2.209 2.561 1.00 0.00 H new ATOM 1363 N GLU A 89 -8.085 -7.003 1.477 1.00 0.00 N ATOM 1364 CA GLU A 89 -7.135 -8.034 1.097 1.00 0.00 C ATOM 1365 C GLU A 89 -7.154 -8.242 -0.419 1.00 0.00 C ATOM 1366 O GLU A 89 -6.121 -8.132 -1.077 1.00 0.00 O ATOM 1367 CB GLU A 89 -7.422 -9.344 1.833 1.00 0.00 C ATOM 1368 CG GLU A 89 -6.467 -10.449 1.379 1.00 0.00 C ATOM 1369 CD GLU A 89 -7.228 -11.579 0.682 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -8.003 -12.260 1.387 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -7.017 -11.735 -0.540 1.00 0.00 O ATOM 0 H GLU A 89 -8.889 -7.339 2.007 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.137 -7.704 1.387 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.322 -9.191 2.908 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.452 -9.650 1.649 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.722 -10.034 0.700 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.928 -10.845 2.240 1.00 0.00 H new ATOM 1378 N ASP A 90 -8.341 -8.537 -0.928 1.00 0.00 N ATOM 1379 CA ASP A 90 -8.509 -8.761 -2.354 1.00 0.00 C ATOM 1380 C ASP A 90 -8.278 -7.447 -3.103 1.00 0.00 C ATOM 1381 O ASP A 90 -7.581 -7.420 -4.116 1.00 0.00 O ATOM 1382 CB ASP A 90 -9.925 -9.245 -2.673 1.00 0.00 C ATOM 1383 CG ASP A 90 -10.454 -10.348 -1.755 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -9.630 -11.201 -1.360 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -11.670 -10.314 -1.468 1.00 0.00 O ATOM 0 H ASP A 90 -9.196 -8.626 -0.379 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.791 -9.520 -2.663 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.604 -8.394 -2.621 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.946 -9.608 -3.701 1.00 0.00 H new ATOM 1390 N GLU A 91 -8.876 -6.389 -2.575 1.00 0.00 N ATOM 1391 CA GLU A 91 -8.744 -5.075 -3.181 1.00 0.00 C ATOM 1392 C GLU A 91 -7.267 -4.733 -3.389 1.00 0.00 C ATOM 1393 O GLU A 91 -6.936 -3.857 -4.187 1.00 0.00 O ATOM 1394 CB GLU A 91 -9.440 -4.009 -2.334 1.00 0.00 C ATOM 1395 CG GLU A 91 -10.953 -4.025 -2.567 1.00 0.00 C ATOM 1396 CD GLU A 91 -11.359 -2.975 -3.603 1.00 0.00 C ATOM 1397 OE1 GLU A 91 -11.247 -1.775 -3.269 1.00 0.00 O ATOM 1398 OE2 GLU A 91 -11.773 -3.395 -4.705 1.00 0.00 O ATOM 0 H GLU A 91 -9.453 -6.415 -1.734 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.233 -5.094 -4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.229 -4.183 -1.279 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.041 -3.025 -2.581 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.262 -5.014 -2.906 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.471 -3.834 -1.627 1.00 0.00 H new ATOM 1405 N PHE A 92 -6.419 -5.440 -2.656 1.00 0.00 N ATOM 1406 CA PHE A 92 -4.986 -5.221 -2.750 1.00 0.00 C ATOM 1407 C PHE A 92 -4.377 -6.057 -3.878 1.00 0.00 C ATOM 1408 O PHE A 92 -3.343 -5.693 -4.436 1.00 0.00 O ATOM 1409 CB PHE A 92 -4.378 -5.664 -1.418 1.00 0.00 C ATOM 1410 CG PHE A 92 -3.651 -4.548 -0.664 1.00 0.00 C ATOM 1411 CD1 PHE A 92 -2.730 -3.782 -1.308 1.00 0.00 C ATOM 1412 CD2 PHE A 92 -3.926 -4.322 0.648 1.00 0.00 C ATOM 1413 CE1 PHE A 92 -2.055 -2.746 -0.608 1.00 0.00 C ATOM 1414 CE2 PHE A 92 -3.251 -3.287 1.347 1.00 0.00 C ATOM 1415 CZ PHE A 92 -2.330 -2.520 0.704 1.00 0.00 C ATOM 0 H PHE A 92 -6.697 -6.165 -1.995 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.783 -4.171 -2.961 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.170 -6.061 -0.783 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.678 -6.479 -1.603 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.512 -3.961 -2.350 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.658 -4.930 1.159 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.323 -2.138 -1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.469 -3.109 2.390 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.817 -1.732 1.235 1.00 0.00 H new ATOM 1425 N THR A 93 -5.044 -7.161 -4.180 1.00 0.00 N ATOM 1426 CA THR A 93 -4.581 -8.051 -5.231 1.00 0.00 C ATOM 1427 C THR A 93 -5.163 -7.630 -6.581 1.00 0.00 C ATOM 1428 O THR A 93 -4.486 -7.711 -7.605 1.00 0.00 O ATOM 1429 CB THR A 93 -4.945 -9.483 -4.832 1.00 0.00 C ATOM 1430 OG1 THR A 93 -3.788 -9.958 -4.150 1.00 0.00 O ATOM 1431 CG2 THR A 93 -5.073 -10.412 -6.041 1.00 0.00 C ATOM 0 H THR A 93 -5.901 -7.460 -3.715 1.00 0.00 H new ATOM 0 HA THR A 93 -3.499 -7.996 -5.348 1.00 0.00 H new ATOM 0 HB THR A 93 -5.883 -9.478 -4.277 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.731 -10.932 -4.241 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.332 -11.415 -5.703 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.853 -10.040 -6.705 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.125 -10.444 -6.578 1.00 0.00 H new ATOM 1439 N LYS A 94 -6.412 -7.188 -6.540 1.00 0.00 N ATOM 1440 CA LYS A 94 -7.092 -6.754 -7.747 1.00 0.00 C ATOM 1441 C LYS A 94 -6.447 -5.463 -8.255 1.00 0.00 C ATOM 1442 O LYS A 94 -6.399 -5.213 -9.458 1.00 0.00 O ATOM 1443 CB LYS A 94 -8.597 -6.633 -7.500 1.00 0.00 C ATOM 1444 CG LYS A 94 -9.194 -7.977 -7.078 1.00 0.00 C ATOM 1445 CD LYS A 94 -9.564 -8.821 -8.300 1.00 0.00 C ATOM 1446 CE LYS A 94 -10.423 -10.021 -7.897 1.00 0.00 C ATOM 1447 NZ LYS A 94 -11.212 -10.503 -9.053 1.00 0.00 N ATOM 0 H LYS A 94 -6.970 -7.121 -5.689 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.980 -7.498 -8.535 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.783 -5.889 -6.725 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.090 -6.280 -8.406 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.478 -8.519 -6.461 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -10.080 -7.809 -6.466 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.105 -8.207 -9.020 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.657 -9.168 -8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.786 -10.823 -7.524 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.092 -9.740 -7.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.790 -11.318 -8.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.833 -9.741 -9.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.568 -10.790 -9.818 1.00 0.00 H new ATOM 1461 N HIS A 95 -5.959 -4.665 -7.305 1.00 0.00 N ATOM 1462 CA HIS A 95 -5.308 -3.393 -7.597 1.00 0.00 C ATOM 1463 C HIS A 95 -3.991 -3.644 -8.354 1.00 0.00 C ATOM 1464 O HIS A 95 -3.795 -3.187 -9.478 1.00 0.00 O ATOM 1465 CB HIS A 95 -5.144 -2.607 -6.288 1.00 0.00 C ATOM 1466 CG HIS A 95 -4.740 -1.156 -6.412 1.00 0.00 C ATOM 1467 ND1 HIS A 95 -4.649 -0.533 -7.591 1.00 0.00 N ATOM 1468 CD2 HIS A 95 -4.405 -0.223 -5.460 1.00 0.00 C ATOM 1469 CE1 HIS A 95 -4.272 0.738 -7.382 1.00 0.00 C ATOM 1470 NE2 HIS A 95 -4.108 0.983 -6.083 1.00 0.00 N ATOM 0 H HIS A 95 -6.005 -4.885 -6.310 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.916 -2.776 -8.258 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.087 -2.652 -5.744 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -4.399 -3.116 -5.677 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.377 -0.400 -4.395 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.121 1.467 -8.165 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.827 1.860 -5.644 1.00 0.00 H new ATOM 1478 N CYS A 96 -3.091 -4.386 -7.704 1.00 0.00 N ATOM 1479 CA CYS A 96 -1.803 -4.713 -8.282 1.00 0.00 C ATOM 1480 C CYS A 96 -2.006 -5.373 -9.638 1.00 0.00 C ATOM 1481 O CYS A 96 -1.092 -5.326 -10.460 1.00 0.00 O ATOM 1482 CB CYS A 96 -1.043 -5.640 -7.337 1.00 0.00 C ATOM 1483 SG CYS A 96 -0.210 -4.634 -6.083 1.00 0.00 S ATOM 0 H CYS A 96 -3.241 -4.770 -6.771 1.00 0.00 H new ATOM 0 HA CYS A 96 -1.218 -3.804 -8.423 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.729 -6.342 -6.864 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.315 -6.231 -7.892 1.00 0.00 H new ATOM 1488 N ASN A 97 -3.173 -5.963 -9.847 1.00 0.00 N ATOM 1489 CA ASN A 97 -3.465 -6.621 -11.109 1.00 0.00 C ATOM 1490 C ASN A 97 -3.883 -5.572 -12.141 1.00 0.00 C ATOM 1491 O ASN A 97 -3.954 -5.864 -13.334 1.00 0.00 O ATOM 1492 CB ASN A 97 -4.613 -7.620 -10.957 1.00 0.00 C ATOM 1493 CG ASN A 97 -4.115 -9.057 -11.116 1.00 0.00 C ATOM 1494 OD1 ASN A 97 -3.629 -9.462 -12.160 1.00 0.00 O ATOM 1495 ND2 ASN A 97 -4.261 -9.805 -10.026 1.00 0.00 N ATOM 0 H ASN A 97 -3.929 -5.999 -9.163 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.568 -7.150 -11.429 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.078 -7.499 -9.979 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.381 -7.413 -11.703 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.958 -10.779 -10.032 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.676 -9.405 -9.184 1.00 0.00 H new ATOM 1502 N ASP A 98 -4.150 -4.373 -11.644 1.00 0.00 N ATOM 1503 CA ASP A 98 -4.560 -3.279 -12.509 1.00 0.00 C ATOM 1504 C ASP A 98 -3.508 -2.170 -12.454 1.00 0.00 C ATOM 1505 O ASP A 98 -3.684 -1.112 -13.057 1.00 0.00 O ATOM 1506 CB ASP A 98 -5.895 -2.688 -12.052 1.00 0.00 C ATOM 1507 CG ASP A 98 -7.099 -3.064 -12.919 1.00 0.00 C ATOM 1508 OD1 ASP A 98 -6.859 -3.495 -14.067 1.00 0.00 O ATOM 1509 OD2 ASP A 98 -8.232 -2.911 -12.413 1.00 0.00 O ATOM 0 H ASP A 98 -4.091 -4.135 -10.654 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.666 -3.670 -13.521 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.087 -3.012 -11.029 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.806 -1.602 -12.031 1.00 0.00 H new ATOM 1514 N ILE A 99 -2.437 -2.449 -11.725 1.00 0.00 N ATOM 1515 CA ILE A 99 -1.357 -1.488 -11.583 1.00 0.00 C ATOM 1516 C ILE A 99 -0.066 -2.092 -12.140 1.00 0.00 C ATOM 1517 O ILE A 99 0.610 -1.473 -12.960 1.00 0.00 O ATOM 1518 CB ILE A 99 -1.241 -1.022 -10.131 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -2.553 -0.398 -9.649 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -0.055 -0.072 -9.952 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -2.860 0.891 -10.413 1.00 0.00 C ATOM 0 H ILE A 99 -2.294 -3.327 -11.226 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.567 -0.591 -12.165 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.051 -1.895 -9.507 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.369 -1.108 -9.784 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.489 -0.186 -8.582 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.004 0.244 -8.910 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.866 -0.584 -10.229 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.190 0.802 -10.589 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.797 1.314 -10.051 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.054 1.608 -10.256 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.948 0.671 -11.477 1.00 0.00 H new ATOM 1533 N LEU A 100 0.236 -3.294 -11.672 1.00 0.00 N ATOM 1534 CA LEU A 100 1.434 -3.989 -12.113 1.00 0.00 C ATOM 1535 C LEU A 100 1.059 -5.011 -13.188 1.00 0.00 C ATOM 1536 O LEU A 100 1.901 -5.413 -13.989 1.00 0.00 O ATOM 1537 CB LEU A 100 2.172 -4.595 -10.918 1.00 0.00 C ATOM 1538 CG LEU A 100 2.869 -3.602 -9.986 1.00 0.00 C ATOM 1539 CD1 LEU A 100 3.497 -4.321 -8.790 1.00 0.00 C ATOM 1540 CD2 LEU A 100 3.893 -2.760 -10.750 1.00 0.00 C ATOM 0 H LEU A 100 -0.328 -3.804 -10.992 1.00 0.00 H new ATOM 0 HA LEU A 100 2.135 -3.289 -12.569 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.459 -5.174 -10.331 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.918 -5.295 -11.294 1.00 0.00 H new ATOM 0 HG LEU A 100 2.118 -2.917 -9.592 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.986 -3.592 -8.143 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.720 -4.841 -8.229 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.233 -5.043 -9.145 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.374 -2.062 -10.065 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.646 -3.414 -11.190 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.389 -2.203 -11.540 1.00 0.00 H new ATOM 1552 N GLY A 101 -0.207 -5.403 -13.170 1.00 0.00 N ATOM 1553 CA GLY A 101 -0.704 -6.371 -14.133 1.00 0.00 C ATOM 1554 C GLY A 101 -0.763 -7.772 -13.522 1.00 0.00 C ATOM 1555 O GLY A 101 -0.978 -8.754 -14.230 1.00 0.00 O ATOM 0 H GLY A 101 -0.903 -5.068 -12.504 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.697 -6.076 -14.471 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.058 -6.380 -15.011 1.00 0.00 H new ATOM 1559 N ALA A 102 -0.567 -7.820 -12.212 1.00 0.00 N ATOM 1560 CA ALA A 102 -0.595 -9.085 -11.497 1.00 0.00 C ATOM 1561 C ALA A 102 -0.732 -8.815 -9.998 1.00 0.00 C ATOM 1562 O ALA A 102 -0.849 -7.665 -9.578 1.00 0.00 O ATOM 1563 CB ALA A 102 0.663 -9.889 -11.833 1.00 0.00 C ATOM 0 H ALA A 102 -0.388 -7.003 -11.627 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.454 -9.681 -11.804 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.642 -10.838 -11.297 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.698 -10.079 -12.906 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.546 -9.324 -11.536 1.00 0.00 H new ATOM 1569 N ASP A 103 -0.713 -9.895 -9.230 1.00 0.00 N ATOM 1570 CA ASP A 103 -0.834 -9.789 -7.786 1.00 0.00 C ATOM 1571 C ASP A 103 0.550 -9.547 -7.180 1.00 0.00 C ATOM 1572 O ASP A 103 1.507 -10.277 -7.426 1.00 0.00 O ATOM 1573 CB ASP A 103 -1.394 -11.080 -7.184 1.00 0.00 C ATOM 1574 CG ASP A 103 -2.003 -10.931 -5.788 1.00 0.00 C ATOM 1575 OD1 ASP A 103 -1.591 -9.981 -5.088 1.00 0.00 O ATOM 1576 OD2 ASP A 103 -2.866 -11.771 -5.454 1.00 0.00 O ATOM 0 H ASP A 103 -0.616 -10.848 -9.581 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.511 -8.964 -7.564 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.155 -11.476 -7.856 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.594 -11.819 -7.138 1.00 0.00 H new ATOM 1581 N CYS A 104 0.633 -8.488 -6.370 1.00 0.00 N ATOM 1582 CA CYS A 104 1.871 -8.119 -5.713 1.00 0.00 C ATOM 1583 C CYS A 104 2.309 -9.240 -4.782 1.00 0.00 C ATOM 1584 O CYS A 104 1.480 -10.082 -4.440 1.00 0.00 O ATOM 1585 CB CYS A 104 1.667 -6.819 -4.939 1.00 0.00 C ATOM 1586 SG CYS A 104 1.666 -5.439 -6.109 1.00 0.00 S ATOM 0 H CYS A 104 -0.153 -7.873 -6.158 1.00 0.00 H new ATOM 0 HA CYS A 104 2.653 -7.963 -6.456 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.725 -6.850 -4.391 1.00 0.00 H new ATOM 0 HB3 CYS A 104 2.460 -6.689 -4.203 1.00 0.00 H new ATOM 1591 N SER A 105 3.576 -9.234 -4.396 1.00 0.00 N ATOM 1592 CA SER A 105 4.093 -10.262 -3.508 1.00 0.00 C ATOM 1593 C SER A 105 3.525 -10.070 -2.100 1.00 0.00 C ATOM 1594 O SER A 105 3.359 -8.956 -1.609 1.00 0.00 O ATOM 1595 CB SER A 105 5.622 -10.240 -3.470 1.00 0.00 C ATOM 1596 OG SER A 105 6.153 -11.316 -2.703 1.00 0.00 O ATOM 0 H SER A 105 4.260 -8.534 -4.682 1.00 0.00 H new ATOM 0 HA SER A 105 3.780 -11.233 -3.891 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.011 -10.294 -4.487 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.960 -9.293 -3.049 1.00 0.00 H new ATOM 0 HG SER A 105 6.660 -10.958 -1.945 1.00 0.00 H new ATOM 1602 N PRO A 106 3.227 -11.200 -1.453 1.00 0.00 N ATOM 1603 CA PRO A 106 2.681 -11.253 -0.114 1.00 0.00 C ATOM 1604 C PRO A 106 3.642 -10.580 0.856 1.00 0.00 C ATOM 1605 O PRO A 106 3.218 -10.206 1.948 1.00 0.00 O ATOM 1606 CB PRO A 106 2.546 -12.743 0.194 1.00 0.00 C ATOM 1607 CG PRO A 106 3.499 -13.446 -0.784 1.00 0.00 C ATOM 1608 CD PRO A 106 3.409 -12.526 -2.000 1.00 0.00 C ATOM 0 HA PRO A 106 1.725 -10.737 -0.024 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.815 -12.957 1.228 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.519 -13.082 0.055 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.514 -13.513 -0.393 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.178 -14.462 -1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.314 -12.582 -2.605 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.576 -12.805 -2.645 1.00 0.00 H new ATOM 1616 N SER A 107 4.895 -10.441 0.450 1.00 0.00 N ATOM 1617 CA SER A 107 5.892 -9.814 1.301 1.00 0.00 C ATOM 1618 C SER A 107 5.870 -8.297 1.102 1.00 0.00 C ATOM 1619 O SER A 107 6.021 -7.540 2.059 1.00 0.00 O ATOM 1620 CB SER A 107 7.290 -10.366 1.012 1.00 0.00 C ATOM 1621 OG SER A 107 7.780 -9.941 -0.257 1.00 0.00 O ATOM 0 H SER A 107 5.243 -10.752 -0.457 1.00 0.00 H new ATOM 0 HA SER A 107 5.648 -10.043 2.338 1.00 0.00 H new ATOM 0 HB2 SER A 107 7.977 -10.041 1.793 1.00 0.00 H new ATOM 0 HB3 SER A 107 7.263 -11.455 1.044 1.00 0.00 H new ATOM 0 HG SER A 107 8.675 -10.313 -0.403 1.00 0.00 H new ATOM 1627 N GLU A 108 5.681 -7.899 -0.148 1.00 0.00 N ATOM 1628 CA GLU A 108 5.637 -6.486 -0.484 1.00 0.00 C ATOM 1629 C GLU A 108 4.339 -5.858 0.030 1.00 0.00 C ATOM 1630 O GLU A 108 4.159 -4.644 -0.051 1.00 0.00 O ATOM 1631 CB GLU A 108 5.787 -6.277 -1.992 1.00 0.00 C ATOM 1632 CG GLU A 108 6.987 -7.054 -2.537 1.00 0.00 C ATOM 1633 CD GLU A 108 8.281 -6.254 -2.368 1.00 0.00 C ATOM 1634 OE1 GLU A 108 8.184 -5.008 -2.392 1.00 0.00 O ATOM 1635 OE2 GLU A 108 9.336 -6.907 -2.219 1.00 0.00 O ATOM 0 H GLU A 108 5.557 -8.530 -0.940 1.00 0.00 H new ATOM 0 HA GLU A 108 6.476 -5.990 0.004 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.879 -6.601 -2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.910 -5.215 -2.205 1.00 0.00 H new ATOM 0 HG2 GLU A 108 7.074 -8.008 -2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 108 6.830 -7.280 -3.592 1.00 0.00 H new ATOM 1642 N LYS A 109 3.470 -6.714 0.547 1.00 0.00 N ATOM 1643 CA LYS A 109 2.195 -6.258 1.074 1.00 0.00 C ATOM 1644 C LYS A 109 2.362 -5.883 2.548 1.00 0.00 C ATOM 1645 O LYS A 109 2.189 -4.723 2.920 1.00 0.00 O ATOM 1646 CB LYS A 109 1.107 -7.305 0.826 1.00 0.00 C ATOM 1647 CG LYS A 109 -0.276 -6.654 0.759 1.00 0.00 C ATOM 1648 CD LYS A 109 -0.659 -6.328 -0.686 1.00 0.00 C ATOM 1649 CE LYS A 109 -0.941 -7.605 -1.479 1.00 0.00 C ATOM 1650 NZ LYS A 109 -2.052 -8.365 -0.862 1.00 0.00 N ATOM 0 H LYS A 109 3.624 -7.720 0.612 1.00 0.00 H new ATOM 0 HA LYS A 109 1.866 -5.360 0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.310 -7.832 -0.106 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.125 -8.049 1.623 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -1.018 -7.323 1.194 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.282 -5.742 1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.540 -5.687 -0.697 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.147 -5.770 -1.163 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.194 -7.352 -2.509 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.044 -8.224 -1.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.662 -8.755 -1.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -1.665 -9.142 -0.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.610 -7.732 -0.254 1.00 0.00 H new ATOM 1664 N ALA A 110 2.697 -6.885 3.347 1.00 0.00 N ATOM 1665 CA ALA A 110 2.889 -6.675 4.771 1.00 0.00 C ATOM 1666 C ALA A 110 3.920 -5.564 4.984 1.00 0.00 C ATOM 1667 O ALA A 110 3.896 -4.878 6.004 1.00 0.00 O ATOM 1668 CB ALA A 110 3.306 -7.991 5.430 1.00 0.00 C ATOM 0 H ALA A 110 2.840 -7.845 3.035 1.00 0.00 H new ATOM 0 HA ALA A 110 1.958 -6.356 5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.450 -7.833 6.499 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.528 -8.738 5.275 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.238 -8.341 4.986 1.00 0.00 H new ATOM 1674 N ASN A 111 4.800 -5.422 4.004 1.00 0.00 N ATOM 1675 CA ASN A 111 5.837 -4.406 4.071 1.00 0.00 C ATOM 1676 C ASN A 111 5.194 -3.021 3.982 1.00 0.00 C ATOM 1677 O ASN A 111 5.467 -2.151 4.808 1.00 0.00 O ATOM 1678 CB ASN A 111 6.821 -4.547 2.908 1.00 0.00 C ATOM 1679 CG ASN A 111 7.715 -3.310 2.795 1.00 0.00 C ATOM 1680 OD1 ASN A 111 8.127 -2.907 1.719 1.00 0.00 O ATOM 1681 ND2 ASN A 111 7.991 -2.733 3.960 1.00 0.00 N ATOM 0 H ASN A 111 4.816 -5.993 3.159 1.00 0.00 H new ATOM 0 HA ASN A 111 6.372 -4.530 5.013 1.00 0.00 H new ATOM 0 HB2 ASN A 111 7.438 -5.434 3.054 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.272 -4.690 1.977 1.00 0.00 H new ATOM 0 HD21 ASN A 111 8.580 -1.901 3.990 1.00 0.00 H new ATOM 0 HD22 ASN A 111 7.613 -3.122 4.824 1.00 0.00 H new ATOM 1688 N PHE A 112 4.352 -2.858 2.972 1.00 0.00 N ATOM 1689 CA PHE A 112 3.668 -1.593 2.764 1.00 0.00 C ATOM 1690 C PHE A 112 2.747 -1.268 3.942 1.00 0.00 C ATOM 1691 O PHE A 112 2.737 -0.140 4.433 1.00 0.00 O ATOM 1692 CB PHE A 112 2.823 -1.745 1.498 1.00 0.00 C ATOM 1693 CG PHE A 112 2.099 -0.465 1.076 1.00 0.00 C ATOM 1694 CD1 PHE A 112 2.809 0.669 0.830 1.00 0.00 C ATOM 1695 CD2 PHE A 112 0.744 -0.460 0.948 1.00 0.00 C ATOM 1696 CE1 PHE A 112 2.136 1.857 0.439 1.00 0.00 C ATOM 1697 CE2 PHE A 112 0.072 0.728 0.557 1.00 0.00 C ATOM 1698 CZ PHE A 112 0.782 1.861 0.311 1.00 0.00 C ATOM 0 H PHE A 112 4.128 -3.581 2.289 1.00 0.00 H new ATOM 0 HA PHE A 112 4.396 -0.787 2.673 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.466 -2.073 0.681 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.086 -2.532 1.658 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.884 0.666 0.932 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.180 -1.360 1.144 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.700 2.757 0.243 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -1.003 0.732 0.455 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.271 2.765 0.014 1.00 0.00 H new ATOM 1708 N ILE A 113 1.996 -2.276 4.360 1.00 0.00 N ATOM 1709 CA ILE A 113 1.074 -2.111 5.471 1.00 0.00 C ATOM 1710 C ILE A 113 1.833 -1.565 6.682 1.00 0.00 C ATOM 1711 O ILE A 113 1.335 -0.689 7.388 1.00 0.00 O ATOM 1712 CB ILE A 113 0.331 -3.419 5.749 1.00 0.00 C ATOM 1713 CG1 ILE A 113 -0.839 -3.603 4.780 1.00 0.00 C ATOM 1714 CG2 ILE A 113 -0.117 -3.495 7.210 1.00 0.00 C ATOM 1715 CD1 ILE A 113 -0.778 -4.972 4.100 1.00 0.00 C ATOM 0 H ILE A 113 2.007 -3.210 3.950 1.00 0.00 H new ATOM 0 HA ILE A 113 0.304 -1.381 5.222 1.00 0.00 H new ATOM 0 HB ILE A 113 1.021 -4.246 5.580 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.781 -3.502 5.319 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.818 -2.817 4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.643 -4.434 7.381 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.756 -3.444 7.861 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.784 -2.661 7.430 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.621 -5.077 3.417 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.154 -5.060 3.542 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.824 -5.756 4.856 1.00 0.00 H new ATOM 1727 N ALA A 114 3.026 -2.105 6.885 1.00 0.00 N ATOM 1728 CA ALA A 114 3.859 -1.682 7.998 1.00 0.00 C ATOM 1729 C ALA A 114 4.239 -0.212 7.815 1.00 0.00 C ATOM 1730 O ALA A 114 3.857 0.663 8.590 1.00 0.00 O ATOM 1731 CB ALA A 114 5.084 -2.594 8.094 1.00 0.00 C ATOM 0 H ALA A 114 3.435 -2.832 6.298 1.00 0.00 H new ATOM 0 HA ALA A 114 3.315 -1.767 8.939 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.709 -2.277 8.929 1.00 0.00 H new ATOM 0 HB2 ALA A 114 4.760 -3.623 8.253 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.656 -2.533 7.168 1.00 0.00 H new ATOM 1737 N TYR A 115 5.012 0.044 6.758 1.00 0.00 N ATOM 1738 CA TYR A 115 5.461 1.386 6.447 1.00 0.00 C ATOM 1739 C TYR A 115 4.298 2.361 6.571 1.00 0.00 C ATOM 1740 O TYR A 115 4.508 3.481 7.034 1.00 0.00 O ATOM 1741 CB TYR A 115 6.042 1.413 5.036 1.00 0.00 C ATOM 1742 CG TYR A 115 7.301 2.238 4.918 1.00 0.00 C ATOM 1743 CD1 TYR A 115 7.218 3.609 4.647 1.00 0.00 C ATOM 1744 CD2 TYR A 115 8.552 1.631 5.080 1.00 0.00 C ATOM 1745 CE1 TYR A 115 8.386 4.373 4.537 1.00 0.00 C ATOM 1746 CE2 TYR A 115 9.720 2.395 4.971 1.00 0.00 C ATOM 1747 CZ TYR A 115 9.637 3.766 4.699 1.00 0.00 C ATOM 1748 OH TYR A 115 10.775 4.510 4.592 1.00 0.00 O ATOM 0 H TYR A 115 5.337 -0.669 6.105 1.00 0.00 H new ATOM 0 HA TYR A 115 6.237 1.686 7.151 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.255 0.392 4.720 1.00 0.00 H new ATOM 0 HB3 TYR A 115 5.292 1.809 4.351 1.00 0.00 H new ATOM 0 HD1 TYR A 115 6.253 4.077 4.523 1.00 0.00 H new ATOM 0 HD2 TYR A 115 8.616 0.573 5.289 1.00 0.00 H new ATOM 0 HE1 TYR A 115 8.322 5.430 4.327 1.00 0.00 H new ATOM 0 HE2 TYR A 115 10.685 1.927 5.097 1.00 0.00 H new ATOM 0 HH TYR A 115 11.531 4.007 4.961 1.00 0.00 H new ATOM 1758 N LEU A 116 3.115 1.927 6.163 1.00 0.00 N ATOM 1759 CA LEU A 116 1.939 2.778 6.238 1.00 0.00 C ATOM 1760 C LEU A 116 1.518 2.931 7.701 1.00 0.00 C ATOM 1761 O LEU A 116 1.080 4.003 8.116 1.00 0.00 O ATOM 1762 CB LEU A 116 0.830 2.241 5.332 1.00 0.00 C ATOM 1763 CG LEU A 116 0.360 3.180 4.219 1.00 0.00 C ATOM 1764 CD1 LEU A 116 1.547 3.724 3.422 1.00 0.00 C ATOM 1765 CD2 LEU A 116 -0.668 2.491 3.318 1.00 0.00 C ATOM 0 H LEU A 116 2.945 0.997 5.779 1.00 0.00 H new ATOM 0 HA LEU A 116 2.167 3.777 5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.178 1.314 4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.029 1.988 5.953 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.136 4.034 4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.185 4.388 2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 116 2.210 4.276 4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.093 2.895 2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.986 3.180 2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.219 1.608 2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.532 2.194 3.913 1.00 0.00 H new ATOM 1777 N LEU A 117 1.666 1.843 8.443 1.00 0.00 N ATOM 1778 CA LEU A 117 1.306 1.842 9.850 1.00 0.00 C ATOM 1779 C LEU A 117 2.530 2.224 10.685 1.00 0.00 C ATOM 1780 O LEU A 117 2.587 1.932 11.879 1.00 0.00 O ATOM 1781 CB LEU A 117 0.687 0.500 10.245 1.00 0.00 C ATOM 1782 CG LEU A 117 1.670 -0.596 10.660 1.00 0.00 C ATOM 1783 CD1 LEU A 117 1.915 -0.571 12.170 1.00 0.00 C ATOM 1784 CD2 LEU A 117 1.196 -1.969 10.179 1.00 0.00 C ATOM 0 H LEU A 117 2.031 0.956 8.096 1.00 0.00 H new ATOM 0 HA LEU A 117 0.538 2.590 10.047 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -0.005 0.670 11.069 1.00 0.00 H new ATOM 0 HB3 LEU A 117 0.098 0.133 9.405 1.00 0.00 H new ATOM 0 HG LEU A 117 2.626 -0.398 10.176 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.617 -1.360 12.438 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.330 0.396 12.455 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.973 -0.731 12.694 1.00 0.00 H new ATOM 0 HD21 LEU A 117 1.913 -2.730 10.487 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.222 -2.191 10.615 1.00 0.00 H new ATOM 0 HD23 LEU A 117 1.115 -1.966 9.092 1.00 0.00 H new ATOM 1796 N THR A 118 3.479 2.871 10.025 1.00 0.00 N ATOM 1797 CA THR A 118 4.698 3.295 10.691 1.00 0.00 C ATOM 1798 C THR A 118 5.122 4.680 10.196 1.00 0.00 C ATOM 1799 O THR A 118 5.068 5.654 10.946 1.00 0.00 O ATOM 1800 CB THR A 118 5.760 2.218 10.464 1.00 0.00 C ATOM 1801 OG1 THR A 118 5.250 1.078 11.150 1.00 0.00 O ATOM 1802 CG2 THR A 118 7.074 2.530 11.185 1.00 0.00 C ATOM 0 H THR A 118 3.428 3.112 9.035 1.00 0.00 H new ATOM 0 HA THR A 118 4.546 3.400 11.765 1.00 0.00 H new ATOM 0 HB THR A 118 5.948 2.113 9.396 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.657 0.575 10.553 1.00 0.00 H new ATOM 0 HG21 THR A 118 7.793 1.734 10.991 1.00 0.00 H new ATOM 0 HG22 THR A 118 7.473 3.477 10.821 1.00 0.00 H new ATOM 0 HG23 THR A 118 6.893 2.601 12.257 1.00 0.00 H new