USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 952 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 133 GLN : amide:sc= -1.49 K(o=-0.2,f=2.9) USER MOD Set 1.2: A 137 THR OG1 : rot 140:sc= 1.29 USER MOD Set 2.1: A 131 ASN : amide:sc= -3.54! K(o=-2.7!,f=0.98) USER MOD Set 2.2: A 139 ASN : amide:sc= 0.831 K(o=-2.7,f=-0.04) USER MOD Set 3.1: A 46 HIS : no HD1:sc= -4.25 K(o=-12,f=-20!) USER MOD Set 3.2: A 48 HIS : no HD1:sc= -1.73 K(o=-12,f=-11) USER MOD Set 3.3: A 63 HIS : no HD1:sc= -2.87 K(o=-12,f=-11) USER MOD Set 3.4: A 71 HIS : no HE2:sc= -1.68 K(o=-12,f=-13) USER MOD Set 3.5: A 80 HIS : no HD1:sc= -0.921 X(o=-12,f=-12) USER MOD Set 3.6: A 120 HIS : no HE2:sc= -0.553 K(o=-12,f=-16!) USER MOD Set 4.1: A 39 THR OG1 : rot 180:sc= 0.0169 USER MOD Set 4.2: A 43 HIS : no HE2:sc= -3.51! C(o=-3.5!,f=-11!) USER MOD Set 5.1: A 9 LYS NZ :NH3+ 175:sc= 1.27 (180deg=0) USER MOD Set 5.2: A 15 GLN : amide:sc= 1.04 K(o=2.3,f=-10!) USER MOD Set 6.1: A 3 LYS NZ :NH3+ -164:sc= 0.733 (180deg=-0.0441) USER MOD Set 6.2: A 153 GLN : amide:sc= 0.657 K(o=1.4,f=-8.7!) USER MOD Single : A 19 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.27) USER MOD Single : A 30 LYS NZ :NH3+ 163:sc= -0.0115 (180deg=-0.232) USER MOD Single : A 34 SER OG : rot 93:sc= 1.23 USER MOD Single : A 36 LYS NZ :NH3+ 138:sc= 0.762 (180deg=0.0446) USER MOD Single : A 65 ASN : amide:sc= -0.497 K(o=-0.5,f=-7.4!) USER MOD Single : A 68 SER OG : rot -53:sc= 0.59 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.0972) USER MOD Single : A 86 ASN : amide:sc= -0.423 X(o=-0.42,f=-0.41) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -124:sc= -0.253 (180deg=-1.58!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 36:sc= 0.944 USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -137:sc= 1.13 (180deg=0.479) USER MOD Single : A 128 LYS NZ :NH3+ 158:sc= 1.08 (180deg=0.904) USER MOD Single : A 134 SER OG : rot 130:sc= 0 USER MOD Single : A 135 THR OG1 : rot -62:sc= 0.562 USER MOD Single : A 136 LYS NZ :NH3+ -144:sc= 1.17 (180deg=0.793) USER MOD Single : A 142 SER OG : rot 180:sc= 0.844 USER MOD Single : A 146 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 3 12.777 6.227 10.794 1.00 0.00 N ATOM 28 CA LYS A 3 11.994 5.551 11.818 1.00 0.00 C ATOM 29 C LYS A 3 10.551 6.045 11.718 1.00 0.00 C ATOM 30 O LYS A 3 10.120 6.860 12.531 1.00 0.00 O ATOM 31 CB LYS A 3 12.586 5.805 13.224 1.00 0.00 C ATOM 32 CG LYS A 3 12.864 7.299 13.489 1.00 0.00 C ATOM 33 CD LYS A 3 12.278 7.804 14.825 1.00 0.00 C ATOM 34 CE LYS A 3 13.276 7.698 15.991 1.00 0.00 C ATOM 35 NZ LYS A 3 12.716 8.179 17.277 1.00 0.00 N ATOM 0 HA LYS A 3 12.020 4.473 11.659 1.00 0.00 H new ATOM 0 HB2 LYS A 3 11.895 5.428 13.979 1.00 0.00 H new ATOM 0 HB3 LYS A 3 13.513 5.242 13.331 1.00 0.00 H new ATOM 0 HG2 LYS A 3 13.941 7.467 13.487 1.00 0.00 H new ATOM 0 HG3 LYS A 3 12.448 7.889 12.672 1.00 0.00 H new ATOM 0 HD2 LYS A 3 11.968 8.843 14.711 1.00 0.00 H new ATOM 0 HD3 LYS A 3 11.384 7.229 15.065 1.00 0.00 H new ATOM 0 HE2 LYS A 3 13.588 6.659 16.102 1.00 0.00 H new ATOM 0 HE3 LYS A 3 14.169 8.275 15.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 13.489 8.341 17.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 12.201 9.069 17.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 12.064 7.465 17.661 1.00 0.00 H new ATOM 49 N ALA A 4 9.815 5.593 10.705 1.00 0.00 N ATOM 50 CA ALA A 4 8.396 5.883 10.552 1.00 0.00 C ATOM 51 C ALA A 4 7.608 4.583 10.618 1.00 0.00 C ATOM 52 O ALA A 4 8.158 3.524 10.324 1.00 0.00 O ATOM 53 CB ALA A 4 8.177 6.639 9.247 1.00 0.00 C ATOM 0 H ALA A 4 10.194 5.008 9.960 1.00 0.00 H new ATOM 0 HA ALA A 4 8.039 6.520 11.361 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.116 6.859 9.127 1.00 0.00 H new ATOM 0 HB2 ALA A 4 8.741 7.572 9.268 1.00 0.00 H new ATOM 0 HB3 ALA A 4 8.517 6.028 8.411 1.00 0.00 H new ATOM 59 N VAL A 5 6.342 4.670 11.032 1.00 0.00 N ATOM 60 CA VAL A 5 5.445 3.549 11.248 1.00 0.00 C ATOM 61 C VAL A 5 4.078 3.929 10.682 1.00 0.00 C ATOM 62 O VAL A 5 3.739 5.115 10.662 1.00 0.00 O ATOM 63 CB VAL A 5 5.414 3.201 12.754 1.00 0.00 C ATOM 64 CG1 VAL A 5 4.532 4.152 13.572 1.00 0.00 C ATOM 65 CG2 VAL A 5 4.994 1.753 13.025 1.00 0.00 C ATOM 0 H VAL A 5 5.901 5.568 11.233 1.00 0.00 H new ATOM 0 HA VAL A 5 5.781 2.649 10.733 1.00 0.00 H new ATOM 0 HB VAL A 5 6.446 3.325 13.082 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.552 3.855 14.621 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.908 5.170 13.476 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.508 4.107 13.202 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.991 1.570 14.100 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.994 1.583 12.626 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.697 1.074 12.543 1.00 0.00 H new ATOM 75 N ALA A 6 3.289 2.953 10.222 1.00 0.00 N ATOM 76 CA ALA A 6 1.871 3.178 9.968 1.00 0.00 C ATOM 77 C ALA A 6 1.077 2.000 10.516 1.00 0.00 C ATOM 78 O ALA A 6 1.175 0.897 9.984 1.00 0.00 O ATOM 79 CB ALA A 6 1.597 3.415 8.477 1.00 0.00 C ATOM 0 H ALA A 6 3.610 2.006 10.020 1.00 0.00 H new ATOM 0 HA ALA A 6 1.551 4.085 10.481 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.530 3.579 8.325 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.151 4.291 8.140 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.915 2.543 7.905 1.00 0.00 H new ATOM 85 N VAL A 7 0.320 2.212 11.594 1.00 0.00 N ATOM 86 CA VAL A 7 -0.523 1.187 12.160 1.00 0.00 C ATOM 87 C VAL A 7 -1.850 1.150 11.393 1.00 0.00 C ATOM 88 O VAL A 7 -2.636 2.094 11.428 1.00 0.00 O ATOM 89 CB VAL A 7 -0.663 1.378 13.677 1.00 0.00 C ATOM 90 CG1 VAL A 7 0.716 1.481 14.345 1.00 0.00 C ATOM 91 CG2 VAL A 7 -1.525 2.572 14.109 1.00 0.00 C ATOM 0 H VAL A 7 0.282 3.102 12.090 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.071 0.202 12.044 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.192 0.486 14.013 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.591 1.616 15.419 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.280 0.568 14.157 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.257 2.333 13.933 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.561 2.620 15.197 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.092 3.493 13.719 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.535 2.452 13.717 1.00 0.00 H new ATOM 101 N LEU A 8 -2.070 0.067 10.657 1.00 0.00 N ATOM 102 CA LEU A 8 -3.311 -0.238 9.973 1.00 0.00 C ATOM 103 C LEU A 8 -4.352 -0.692 10.994 1.00 0.00 C ATOM 104 O LEU A 8 -3.990 -1.301 12.000 1.00 0.00 O ATOM 105 CB LEU A 8 -3.035 -1.291 8.877 1.00 0.00 C ATOM 106 CG LEU A 8 -2.978 -0.608 7.504 1.00 0.00 C ATOM 107 CD1 LEU A 8 -1.862 0.439 7.426 1.00 0.00 C ATOM 108 CD2 LEU A 8 -2.765 -1.657 6.408 1.00 0.00 C ATOM 0 H LEU A 8 -1.357 -0.649 10.518 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.717 0.644 9.478 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.093 -1.802 9.079 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.817 -2.050 8.884 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.929 -0.096 7.357 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.860 0.896 6.436 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.031 1.208 8.180 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.900 -0.041 7.606 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.726 -1.165 5.436 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.828 -2.184 6.586 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.590 -2.369 6.421 1.00 0.00 H new ATOM 120 N LYS A 9 -5.629 -0.398 10.735 1.00 0.00 N ATOM 121 CA LYS A 9 -6.775 -0.805 11.532 1.00 0.00 C ATOM 122 C LYS A 9 -7.991 -0.814 10.598 1.00 0.00 C ATOM 123 O LYS A 9 -8.114 0.073 9.754 1.00 0.00 O ATOM 124 CB LYS A 9 -6.949 0.189 12.695 1.00 0.00 C ATOM 125 CG LYS A 9 -8.140 -0.057 13.643 1.00 0.00 C ATOM 126 CD LYS A 9 -7.796 -0.873 14.901 1.00 0.00 C ATOM 127 CE LYS A 9 -7.773 -2.388 14.648 1.00 0.00 C ATOM 128 NZ LYS A 9 -7.243 -3.140 15.804 1.00 0.00 N ATOM 0 H LYS A 9 -5.898 0.158 9.923 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.648 -1.797 11.966 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.035 0.182 13.288 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.049 1.190 12.275 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.548 0.906 13.950 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.925 -0.575 13.093 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.822 -0.558 15.276 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.525 -0.652 15.681 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.783 -2.733 14.425 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.163 -2.599 13.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.325 -4.161 15.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.243 -2.893 15.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.787 -2.896 16.656 1.00 0.00 H new ATOM 142 N GLY A 10 -8.871 -1.812 10.705 1.00 0.00 N ATOM 143 CA GLY A 10 -10.109 -1.854 9.946 1.00 0.00 C ATOM 144 C GLY A 10 -11.318 -1.803 10.864 1.00 0.00 C ATOM 145 O GLY A 10 -11.226 -1.385 12.019 1.00 0.00 O ATOM 0 H GLY A 10 -8.739 -2.612 11.323 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.141 -1.015 9.251 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.141 -2.765 9.348 1.00 0.00 H new ATOM 149 N ASP A 11 -12.448 -2.260 10.330 1.00 0.00 N ATOM 150 CA ASP A 11 -13.657 -2.562 11.071 1.00 0.00 C ATOM 151 C ASP A 11 -13.378 -3.722 12.027 1.00 0.00 C ATOM 152 O ASP A 11 -13.794 -3.697 13.183 1.00 0.00 O ATOM 153 CB ASP A 11 -14.762 -2.941 10.069 1.00 0.00 C ATOM 154 CG ASP A 11 -14.424 -4.184 9.245 1.00 0.00 C ATOM 155 OD1 ASP A 11 -13.223 -4.333 8.915 1.00 0.00 O ATOM 156 OD2 ASP A 11 -15.359 -4.970 8.988 1.00 0.00 O ATOM 0 H ASP A 11 -12.544 -2.435 9.330 1.00 0.00 H new ATOM 0 HA ASP A 11 -13.980 -1.699 11.653 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.692 -3.113 10.611 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.937 -2.102 9.395 1.00 0.00 H new ATOM 161 N GLY A 12 -12.676 -4.744 11.532 1.00 0.00 N ATOM 162 CA GLY A 12 -12.420 -5.963 12.253 1.00 0.00 C ATOM 163 C GLY A 12 -11.041 -5.878 12.889 1.00 0.00 C ATOM 164 O GLY A 12 -10.477 -4.795 13.058 1.00 0.00 O ATOM 0 H GLY A 12 -12.267 -4.733 10.598 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.180 -6.114 13.019 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -12.472 -6.818 11.579 1.00 0.00 H new ATOM 168 N PRO A 13 -10.459 -7.033 13.220 1.00 0.00 N ATOM 169 CA PRO A 13 -9.178 -7.079 13.882 1.00 0.00 C ATOM 170 C PRO A 13 -8.024 -6.841 12.906 1.00 0.00 C ATOM 171 O PRO A 13 -6.886 -6.741 13.355 1.00 0.00 O ATOM 172 CB PRO A 13 -9.127 -8.457 14.541 1.00 0.00 C ATOM 173 CG PRO A 13 -9.973 -9.326 13.607 1.00 0.00 C ATOM 174 CD PRO A 13 -11.007 -8.360 13.021 1.00 0.00 C ATOM 0 HA PRO A 13 -9.067 -6.286 14.621 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -8.105 -8.828 14.619 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -9.537 -8.435 15.551 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.364 -9.778 12.825 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.453 -10.141 14.149 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -11.174 -8.560 11.963 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.970 -8.466 13.521 1.00 0.00 H new ATOM 182 N VAL A 14 -8.322 -6.723 11.603 1.00 0.00 N ATOM 183 CA VAL A 14 -7.400 -6.330 10.550 1.00 0.00 C ATOM 184 C VAL A 14 -6.553 -5.157 11.024 1.00 0.00 C ATOM 185 O VAL A 14 -7.037 -4.027 11.082 1.00 0.00 O ATOM 186 CB VAL A 14 -8.169 -5.976 9.262 1.00 0.00 C ATOM 187 CG1 VAL A 14 -7.168 -5.903 8.106 1.00 0.00 C ATOM 188 CG2 VAL A 14 -9.250 -7.003 8.896 1.00 0.00 C ATOM 0 H VAL A 14 -9.260 -6.910 11.248 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.739 -7.166 10.321 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.671 -5.025 9.438 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.694 -5.653 7.185 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.423 -5.136 8.318 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.673 -6.868 7.991 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.752 -6.692 7.980 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.788 -7.979 8.744 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.978 -7.068 9.704 1.00 0.00 H new ATOM 198 N GLN A 15 -5.297 -5.437 11.378 1.00 0.00 N ATOM 199 CA GLN A 15 -4.361 -4.437 11.840 1.00 0.00 C ATOM 200 C GLN A 15 -2.993 -4.774 11.266 1.00 0.00 C ATOM 201 O GLN A 15 -2.738 -5.937 10.989 1.00 0.00 O ATOM 202 CB GLN A 15 -4.405 -4.411 13.374 1.00 0.00 C ATOM 203 CG GLN A 15 -3.180 -3.744 14.006 1.00 0.00 C ATOM 204 CD GLN A 15 -3.445 -3.153 15.390 1.00 0.00 C ATOM 205 OE1 GLN A 15 -4.563 -3.192 15.906 1.00 0.00 O ATOM 206 NE2 GLN A 15 -2.421 -2.561 15.995 1.00 0.00 N ATOM 0 H GLN A 15 -4.907 -6.379 11.348 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.611 -3.432 11.501 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.303 -3.884 13.695 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.485 -5.433 13.745 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -2.377 -4.477 14.082 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.827 -2.953 13.345 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.505 -2.542 15.546 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.551 -2.125 16.908 1.00 0.00 H new ATOM 215 N GLY A 16 -2.120 -3.787 11.051 1.00 0.00 N ATOM 216 CA GLY A 16 -0.798 -4.068 10.507 1.00 0.00 C ATOM 217 C GLY A 16 0.213 -2.981 10.822 1.00 0.00 C ATOM 218 O GLY A 16 -0.051 -1.814 10.571 1.00 0.00 O ATOM 0 H GLY A 16 -2.304 -2.802 11.243 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.440 -5.017 10.907 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.873 -4.185 9.426 1.00 0.00 H new ATOM 222 N ILE A 17 1.371 -3.344 11.365 1.00 0.00 N ATOM 223 CA ILE A 17 2.408 -2.397 11.727 1.00 0.00 C ATOM 224 C ILE A 17 3.323 -2.218 10.510 1.00 0.00 C ATOM 225 O ILE A 17 4.270 -2.984 10.327 1.00 0.00 O ATOM 226 CB ILE A 17 3.126 -2.887 13.000 1.00 0.00 C ATOM 227 CG1 ILE A 17 2.156 -2.978 14.200 1.00 0.00 C ATOM 228 CG2 ILE A 17 4.246 -1.907 13.373 1.00 0.00 C ATOM 229 CD1 ILE A 17 1.429 -4.323 14.333 1.00 0.00 C ATOM 0 H ILE A 17 1.613 -4.314 11.566 1.00 0.00 H new ATOM 0 HA ILE A 17 2.008 -1.414 11.977 1.00 0.00 H new ATOM 0 HB ILE A 17 3.527 -3.878 12.786 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.714 -2.790 15.117 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.413 -2.186 14.111 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.751 -2.257 14.273 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.964 -1.846 12.555 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.820 -0.920 13.556 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.770 -4.296 15.201 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.839 -4.508 13.435 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.161 -5.121 14.457 1.00 0.00 H new ATOM 241 N ILE A 18 3.023 -1.225 9.664 1.00 0.00 N ATOM 242 CA ILE A 18 3.912 -0.808 8.586 1.00 0.00 C ATOM 243 C ILE A 18 5.041 0.004 9.195 1.00 0.00 C ATOM 244 O ILE A 18 4.865 0.587 10.260 1.00 0.00 O ATOM 245 CB ILE A 18 3.180 0.054 7.547 1.00 0.00 C ATOM 246 CG1 ILE A 18 1.900 -0.605 7.029 1.00 0.00 C ATOM 247 CG2 ILE A 18 4.091 0.438 6.369 1.00 0.00 C ATOM 248 CD1 ILE A 18 2.185 -1.960 6.392 1.00 0.00 C ATOM 0 H ILE A 18 2.155 -0.691 9.712 1.00 0.00 H new ATOM 0 HA ILE A 18 4.288 -1.696 8.078 1.00 0.00 H new ATOM 0 HB ILE A 18 2.895 0.965 8.072 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.196 -0.730 7.852 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.424 0.048 6.298 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.531 1.047 5.659 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.945 1.005 6.739 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.444 -0.466 5.872 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.253 -2.398 6.036 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.869 -1.831 5.553 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.637 -2.621 7.131 1.00 0.00 H new ATOM 260 N ASN A 19 6.173 0.056 8.500 1.00 0.00 N ATOM 261 CA ASN A 19 7.416 0.657 8.919 1.00 0.00 C ATOM 262 C ASN A 19 8.053 1.222 7.657 1.00 0.00 C ATOM 263 O ASN A 19 7.996 0.592 6.597 1.00 0.00 O ATOM 264 CB ASN A 19 8.351 -0.376 9.562 1.00 0.00 C ATOM 265 CG ASN A 19 7.628 -1.390 10.444 1.00 0.00 C ATOM 266 OD1 ASN A 19 7.633 -1.292 11.666 1.00 0.00 O ATOM 267 ND2 ASN A 19 6.971 -2.359 9.810 1.00 0.00 N ATOM 0 H ASN A 19 6.241 -0.351 7.567 1.00 0.00 H new ATOM 0 HA ASN A 19 7.238 1.427 9.670 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.887 -0.908 8.776 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.098 0.146 10.160 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.448 -3.054 10.343 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.991 -2.407 8.791 1.00 0.00 H new ATOM 274 N PHE A 20 8.635 2.412 7.774 1.00 0.00 N ATOM 275 CA PHE A 20 9.357 3.066 6.702 1.00 0.00 C ATOM 276 C PHE A 20 10.689 3.579 7.239 1.00 0.00 C ATOM 277 O PHE A 20 10.712 4.281 8.256 1.00 0.00 O ATOM 278 CB PHE A 20 8.519 4.212 6.137 1.00 0.00 C ATOM 279 CG PHE A 20 7.254 3.788 5.424 1.00 0.00 C ATOM 280 CD1 PHE A 20 7.290 3.587 4.035 1.00 0.00 C ATOM 281 CD2 PHE A 20 6.027 3.736 6.109 1.00 0.00 C ATOM 282 CE1 PHE A 20 6.096 3.388 3.321 1.00 0.00 C ATOM 283 CE2 PHE A 20 4.837 3.505 5.397 1.00 0.00 C ATOM 284 CZ PHE A 20 4.874 3.318 4.005 1.00 0.00 C ATOM 0 H PHE A 20 8.614 2.955 8.637 1.00 0.00 H new ATOM 0 HA PHE A 20 9.550 2.358 5.896 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.251 4.883 6.953 1.00 0.00 H new ATOM 0 HB3 PHE A 20 9.135 4.785 5.443 1.00 0.00 H new ATOM 0 HD1 PHE A 20 8.236 3.585 3.515 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.999 3.873 7.180 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.120 3.289 2.246 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.893 3.471 5.921 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.962 3.120 3.462 1.00 0.00 H new ATOM 294 N GLU A 21 11.778 3.236 6.547 1.00 0.00 N ATOM 295 CA GLU A 21 13.127 3.735 6.805 1.00 0.00 C ATOM 296 C GLU A 21 13.713 4.302 5.500 1.00 0.00 C ATOM 297 O GLU A 21 13.348 3.841 4.418 1.00 0.00 O ATOM 298 CB GLU A 21 13.960 2.626 7.473 1.00 0.00 C ATOM 299 CG GLU A 21 14.246 1.411 6.572 1.00 0.00 C ATOM 300 CD GLU A 21 15.670 1.357 6.016 1.00 0.00 C ATOM 301 OE1 GLU A 21 16.390 2.376 6.132 1.00 0.00 O ATOM 302 OE2 GLU A 21 16.022 0.269 5.506 1.00 0.00 O ATOM 0 H GLU A 21 11.742 2.581 5.766 1.00 0.00 H new ATOM 0 HA GLU A 21 13.128 4.565 7.512 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.909 3.050 7.802 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.437 2.285 8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 21 14.056 0.500 7.140 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.544 1.419 5.738 1.00 0.00 H new ATOM 395 N PRO A 28 16.286 6.191 -1.556 1.00 0.00 N ATOM 396 CA PRO A 28 15.219 5.210 -1.604 1.00 0.00 C ATOM 397 C PRO A 28 14.670 4.932 -0.202 1.00 0.00 C ATOM 398 O PRO A 28 15.440 4.785 0.747 1.00 0.00 O ATOM 399 CB PRO A 28 15.844 3.970 -2.248 1.00 0.00 C ATOM 400 CG PRO A 28 17.323 4.070 -1.877 1.00 0.00 C ATOM 401 CD PRO A 28 17.582 5.576 -1.788 1.00 0.00 C ATOM 0 HA PRO A 28 14.361 5.554 -2.181 1.00 0.00 H new ATOM 0 HB2 PRO A 28 15.397 3.053 -1.865 1.00 0.00 H new ATOM 0 HB3 PRO A 28 15.702 3.967 -3.329 1.00 0.00 H new ATOM 0 HG2 PRO A 28 17.531 3.573 -0.930 1.00 0.00 H new ATOM 0 HG3 PRO A 28 17.956 3.600 -2.630 1.00 0.00 H new ATOM 0 HD2 PRO A 28 18.274 5.806 -0.978 1.00 0.00 H new ATOM 0 HD3 PRO A 28 18.032 5.950 -2.708 1.00 0.00 H new ATOM 409 N VAL A 29 13.342 4.861 -0.058 1.00 0.00 N ATOM 410 CA VAL A 29 12.683 4.420 1.150 1.00 0.00 C ATOM 411 C VAL A 29 12.500 2.915 1.071 1.00 0.00 C ATOM 412 O VAL A 29 12.006 2.408 0.067 1.00 0.00 O ATOM 413 CB VAL A 29 11.348 5.179 1.309 1.00 0.00 C ATOM 414 CG1 VAL A 29 10.112 4.404 0.857 1.00 0.00 C ATOM 415 CG2 VAL A 29 11.086 5.508 2.770 1.00 0.00 C ATOM 0 H VAL A 29 12.692 5.117 -0.801 1.00 0.00 H new ATOM 0 HA VAL A 29 13.280 4.639 2.035 1.00 0.00 H new ATOM 0 HB VAL A 29 11.479 6.058 0.678 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.223 5.017 1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.206 4.153 -0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.023 3.488 1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 29 10.140 6.043 2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 29 11.037 4.585 3.348 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.893 6.133 3.153 1.00 0.00 H new ATOM 425 N LYS A 30 12.854 2.217 2.147 1.00 0.00 N ATOM 426 CA LYS A 30 12.492 0.834 2.367 1.00 0.00 C ATOM 427 C LYS A 30 11.112 0.838 3.019 1.00 0.00 C ATOM 428 O LYS A 30 10.939 1.415 4.095 1.00 0.00 O ATOM 429 CB LYS A 30 13.548 0.174 3.262 1.00 0.00 C ATOM 430 CG LYS A 30 14.494 -0.751 2.498 1.00 0.00 C ATOM 431 CD LYS A 30 13.780 -2.041 2.061 1.00 0.00 C ATOM 432 CE LYS A 30 14.778 -3.099 1.581 1.00 0.00 C ATOM 433 NZ LYS A 30 15.599 -3.620 2.691 1.00 0.00 N ATOM 0 H LYS A 30 13.413 2.613 2.903 1.00 0.00 H new ATOM 0 HA LYS A 30 12.454 0.263 1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.131 0.950 3.757 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.047 -0.396 4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.883 -0.233 1.621 1.00 0.00 H new ATOM 0 HG3 LYS A 30 15.349 -1.001 3.127 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.200 -2.438 2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.075 -1.815 1.261 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.238 -3.921 1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.428 -2.667 0.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.047 -4.513 2.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 16.335 -2.926 2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.995 -3.789 3.520 1.00 0.00 H new ATOM 447 N VAL A 31 10.141 0.215 2.351 1.00 0.00 N ATOM 448 CA VAL A 31 8.774 0.051 2.807 1.00 0.00 C ATOM 449 C VAL A 31 8.663 -1.368 3.330 1.00 0.00 C ATOM 450 O VAL A 31 9.007 -2.304 2.609 1.00 0.00 O ATOM 451 CB VAL A 31 7.826 0.228 1.611 1.00 0.00 C ATOM 452 CG1 VAL A 31 6.357 0.064 2.020 1.00 0.00 C ATOM 453 CG2 VAL A 31 8.058 1.586 0.961 1.00 0.00 C ATOM 0 H VAL A 31 10.301 -0.206 1.436 1.00 0.00 H new ATOM 0 HA VAL A 31 8.515 0.779 3.576 1.00 0.00 H new ATOM 0 HB VAL A 31 8.047 -0.556 0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.719 0.197 1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.204 -0.933 2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.103 0.812 2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.382 1.704 0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.869 2.375 1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.089 1.652 0.614 1.00 0.00 H new ATOM 463 N TRP A 32 8.170 -1.557 4.553 1.00 0.00 N ATOM 464 CA TRP A 32 7.978 -2.914 5.041 1.00 0.00 C ATOM 465 C TRP A 32 6.950 -2.948 6.155 1.00 0.00 C ATOM 466 O TRP A 32 6.780 -1.982 6.890 1.00 0.00 O ATOM 467 CB TRP A 32 9.309 -3.579 5.444 1.00 0.00 C ATOM 468 CG TRP A 32 9.597 -3.679 6.910 1.00 0.00 C ATOM 469 CD1 TRP A 32 9.122 -4.646 7.727 1.00 0.00 C ATOM 470 CD2 TRP A 32 10.378 -2.786 7.758 1.00 0.00 C ATOM 471 NE1 TRP A 32 9.527 -4.400 9.021 1.00 0.00 N ATOM 472 CE2 TRP A 32 10.305 -3.265 9.100 1.00 0.00 C ATOM 473 CE3 TRP A 32 11.110 -1.597 7.541 1.00 0.00 C ATOM 474 CZ2 TRP A 32 10.924 -2.605 10.171 1.00 0.00 C ATOM 475 CZ3 TRP A 32 11.723 -0.918 8.613 1.00 0.00 C ATOM 476 CH2 TRP A 32 11.641 -1.424 9.921 1.00 0.00 C ATOM 0 H TRP A 32 7.906 -0.815 5.201 1.00 0.00 H new ATOM 0 HA TRP A 32 7.583 -3.510 4.219 1.00 0.00 H new ATOM 0 HB2 TRP A 32 9.327 -4.585 5.025 1.00 0.00 H new ATOM 0 HB3 TRP A 32 10.122 -3.024 4.975 1.00 0.00 H new ATOM 0 HD1 TRP A 32 8.517 -5.484 7.413 1.00 0.00 H new ATOM 0 HE1 TRP A 32 9.282 -4.985 9.820 1.00 0.00 H new ATOM 0 HE3 TRP A 32 11.201 -1.203 6.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 10.850 -2.999 11.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 12.261 -0.000 8.427 1.00 0.00 H new ATOM 0 HH2 TRP A 32 12.129 -0.905 10.733 1.00 0.00 H new ATOM 487 N GLY A 33 6.254 -4.064 6.300 1.00 0.00 N ATOM 488 CA GLY A 33 5.152 -4.135 7.237 1.00 0.00 C ATOM 489 C GLY A 33 4.728 -5.561 7.472 1.00 0.00 C ATOM 490 O GLY A 33 5.320 -6.465 6.892 1.00 0.00 O ATOM 0 H GLY A 33 6.433 -4.925 5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.445 -3.680 8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.308 -3.560 6.855 1.00 0.00 H new ATOM 494 N SER A 34 3.706 -5.751 8.307 1.00 0.00 N ATOM 495 CA SER A 34 3.188 -7.063 8.625 1.00 0.00 C ATOM 496 C SER A 34 1.760 -6.829 9.071 1.00 0.00 C ATOM 497 O SER A 34 1.521 -6.208 10.109 1.00 0.00 O ATOM 498 CB SER A 34 4.032 -7.748 9.697 1.00 0.00 C ATOM 499 OG SER A 34 3.640 -9.095 9.847 1.00 0.00 O ATOM 0 H SER A 34 3.219 -4.989 8.779 1.00 0.00 H new ATOM 0 HA SER A 34 3.223 -7.738 7.770 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.086 -7.698 9.425 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.922 -7.223 10.646 1.00 0.00 H new ATOM 0 HG SER A 34 4.199 -9.664 9.277 1.00 0.00 H new ATOM 505 N ILE A 35 0.827 -7.227 8.216 1.00 0.00 N ATOM 506 CA ILE A 35 -0.594 -7.185 8.493 1.00 0.00 C ATOM 507 C ILE A 35 -0.935 -8.348 9.422 1.00 0.00 C ATOM 508 O ILE A 35 -0.156 -9.280 9.569 1.00 0.00 O ATOM 509 CB ILE A 35 -1.350 -7.170 7.145 1.00 0.00 C ATOM 510 CG1 ILE A 35 -1.966 -5.786 6.854 1.00 0.00 C ATOM 511 CG2 ILE A 35 -2.385 -8.285 6.981 1.00 0.00 C ATOM 512 CD1 ILE A 35 -1.878 -5.414 5.370 1.00 0.00 C ATOM 0 H ILE A 35 1.047 -7.596 7.291 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.905 -6.282 9.019 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.587 -7.377 6.395 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.010 -5.782 7.167 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.453 -5.030 7.448 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.865 -8.195 6.007 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.891 -9.254 7.054 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.137 -8.201 7.765 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.324 -4.432 5.214 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.833 -5.391 5.062 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.414 -6.155 4.777 1.00 0.00 H new ATOM 524 N LYS A 36 -2.112 -8.302 10.032 1.00 0.00 N ATOM 525 CA LYS A 36 -2.704 -9.380 10.789 1.00 0.00 C ATOM 526 C LYS A 36 -4.207 -9.153 10.703 1.00 0.00 C ATOM 527 O LYS A 36 -4.769 -8.328 11.422 1.00 0.00 O ATOM 528 CB LYS A 36 -2.192 -9.378 12.239 1.00 0.00 C ATOM 529 CG LYS A 36 -2.136 -10.780 12.869 1.00 0.00 C ATOM 530 CD LYS A 36 -3.466 -11.557 12.895 1.00 0.00 C ATOM 531 CE LYS A 36 -3.180 -13.016 13.306 1.00 0.00 C ATOM 532 NZ LYS A 36 -4.265 -13.963 12.972 1.00 0.00 N ATOM 0 H LYS A 36 -2.702 -7.470 10.007 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.437 -10.360 10.393 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.196 -8.936 12.264 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.838 -8.742 12.844 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.401 -11.373 12.325 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.773 -10.684 13.892 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.159 -11.096 13.598 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.940 -11.527 11.914 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.262 -13.346 12.819 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.001 -13.051 14.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.855 -14.842 12.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.815 -14.177 13.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.889 -13.538 12.257 1.00 0.00 H new ATOM 546 N GLY A 37 -4.849 -9.879 9.793 1.00 0.00 N ATOM 547 CA GLY A 37 -6.295 -10.015 9.763 1.00 0.00 C ATOM 548 C GLY A 37 -6.863 -10.192 8.356 1.00 0.00 C ATOM 549 O GLY A 37 -8.062 -10.417 8.211 1.00 0.00 O ATOM 0 H GLY A 37 -4.373 -10.392 9.051 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.584 -10.871 10.373 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.744 -9.133 10.219 1.00 0.00 H new ATOM 553 N LEU A 38 -6.029 -10.072 7.318 1.00 0.00 N ATOM 554 CA LEU A 38 -6.447 -10.364 5.956 1.00 0.00 C ATOM 555 C LEU A 38 -6.635 -11.878 5.781 1.00 0.00 C ATOM 556 O LEU A 38 -6.557 -12.640 6.737 1.00 0.00 O ATOM 557 CB LEU A 38 -5.418 -9.775 4.966 1.00 0.00 C ATOM 558 CG LEU A 38 -5.656 -8.312 4.544 1.00 0.00 C ATOM 559 CD1 LEU A 38 -7.117 -8.018 4.204 1.00 0.00 C ATOM 560 CD2 LEU A 38 -5.205 -7.267 5.565 1.00 0.00 C ATOM 0 H LEU A 38 -5.058 -9.773 7.403 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.409 -9.897 5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.427 -9.847 5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.408 -10.395 4.070 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.031 -8.221 3.656 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.220 -6.972 3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.434 -8.656 3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.740 -8.216 5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.413 -6.269 5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.745 -7.415 6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.135 -7.371 5.744 1.00 0.00 H new ATOM 572 N THR A 39 -6.897 -12.315 4.552 1.00 0.00 N ATOM 573 CA THR A 39 -6.974 -13.709 4.140 1.00 0.00 C ATOM 574 C THR A 39 -5.895 -13.984 3.106 1.00 0.00 C ATOM 575 O THR A 39 -5.512 -13.058 2.384 1.00 0.00 O ATOM 576 CB THR A 39 -8.336 -13.945 3.493 1.00 0.00 C ATOM 577 OG1 THR A 39 -8.633 -12.857 2.626 1.00 0.00 O ATOM 578 CG2 THR A 39 -9.394 -14.055 4.587 1.00 0.00 C ATOM 0 H THR A 39 -7.070 -11.672 3.779 1.00 0.00 H new ATOM 0 HA THR A 39 -6.838 -14.362 5.002 1.00 0.00 H new ATOM 0 HB THR A 39 -8.325 -14.868 2.914 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.506 -13.003 2.205 1.00 0.00 H new ATOM 0 HG21 THR A 39 -10.371 -14.224 4.133 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.151 -14.889 5.246 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.417 -13.131 5.165 1.00 0.00 H new ATOM 586 N GLU A 40 -5.452 -15.241 3.032 1.00 0.00 N ATOM 587 CA GLU A 40 -4.417 -15.711 2.136 1.00 0.00 C ATOM 588 C GLU A 40 -4.686 -15.303 0.692 1.00 0.00 C ATOM 589 O GLU A 40 -5.834 -15.251 0.250 1.00 0.00 O ATOM 590 CB GLU A 40 -4.247 -17.234 2.231 1.00 0.00 C ATOM 591 CG GLU A 40 -5.554 -18.045 2.226 1.00 0.00 C ATOM 592 CD GLU A 40 -6.083 -18.286 3.633 1.00 0.00 C ATOM 593 OE1 GLU A 40 -6.704 -17.338 4.163 1.00 0.00 O ATOM 594 OE2 GLU A 40 -5.824 -19.393 4.151 1.00 0.00 O ATOM 0 H GLU A 40 -5.827 -15.983 3.624 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.489 -15.236 2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.630 -17.566 1.396 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.699 -17.465 3.145 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.307 -17.515 1.642 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.384 -19.003 1.734 1.00 0.00 H new ATOM 601 N GLY A 41 -3.612 -15.028 -0.046 1.00 0.00 N ATOM 602 CA GLY A 41 -3.704 -14.611 -1.428 1.00 0.00 C ATOM 603 C GLY A 41 -3.106 -13.227 -1.443 1.00 0.00 C ATOM 604 O GLY A 41 -2.058 -13.039 -0.833 1.00 0.00 O ATOM 0 H GLY A 41 -2.657 -15.091 0.305 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.157 -15.287 -2.084 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.738 -14.601 -1.772 1.00 0.00 H new ATOM 608 N LEU A 42 -3.766 -12.258 -2.074 1.00 0.00 N ATOM 609 CA LEU A 42 -3.207 -10.931 -2.242 1.00 0.00 C ATOM 610 C LEU A 42 -4.266 -9.851 -2.074 1.00 0.00 C ATOM 611 O LEU A 42 -5.458 -10.113 -2.229 1.00 0.00 O ATOM 612 CB LEU A 42 -2.423 -10.842 -3.562 1.00 0.00 C ATOM 613 CG LEU A 42 -3.297 -10.695 -4.814 1.00 0.00 C ATOM 614 CD1 LEU A 42 -2.404 -10.699 -6.059 1.00 0.00 C ATOM 615 CD2 LEU A 42 -4.322 -11.828 -4.971 1.00 0.00 C ATOM 0 H LEU A 42 -4.695 -12.375 -2.478 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.487 -10.745 -1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.742 -9.993 -3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.809 -11.737 -3.666 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.841 -9.757 -4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.022 -10.595 -6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.701 -9.867 -6.005 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.852 -11.638 -6.108 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.908 -11.665 -5.875 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.801 -12.783 -5.043 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.985 -11.841 -4.106 1.00 0.00 H new ATOM 627 N HIS A 43 -3.821 -8.656 -1.684 1.00 0.00 N ATOM 628 CA HIS A 43 -4.683 -7.550 -1.312 1.00 0.00 C ATOM 629 C HIS A 43 -4.093 -6.247 -1.834 1.00 0.00 C ATOM 630 O HIS A 43 -2.905 -6.014 -1.625 1.00 0.00 O ATOM 631 CB HIS A 43 -4.763 -7.518 0.219 1.00 0.00 C ATOM 632 CG HIS A 43 -5.610 -8.620 0.796 1.00 0.00 C ATOM 633 ND1 HIS A 43 -6.979 -8.559 0.911 1.00 0.00 N ATOM 634 CD2 HIS A 43 -5.211 -9.872 1.184 1.00 0.00 C ATOM 635 CE1 HIS A 43 -7.419 -9.755 1.335 1.00 0.00 C ATOM 636 NE2 HIS A 43 -6.363 -10.557 1.533 1.00 0.00 N ATOM 0 H HIS A 43 -2.828 -8.432 -1.619 1.00 0.00 H new ATOM 0 HA HIS A 43 -5.678 -7.672 -1.739 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.756 -7.591 0.630 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.167 -6.556 0.534 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.560 -7.745 0.709 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.200 -10.250 1.212 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.453 -10.026 1.491 1.00 0.00 H new ATOM 645 N GLY A 44 -4.896 -5.411 -2.503 1.00 0.00 N ATOM 646 CA GLY A 44 -4.431 -4.129 -3.018 1.00 0.00 C ATOM 647 C GLY A 44 -3.884 -3.256 -1.895 1.00 0.00 C ATOM 648 O GLY A 44 -4.390 -3.346 -0.777 1.00 0.00 O ATOM 0 H GLY A 44 -5.878 -5.607 -2.699 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.656 -4.293 -3.766 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.252 -3.614 -3.517 1.00 0.00 H new ATOM 652 N PHE A 45 -2.869 -2.432 -2.178 1.00 0.00 N ATOM 653 CA PHE A 45 -2.161 -1.626 -1.180 1.00 0.00 C ATOM 654 C PHE A 45 -1.815 -0.271 -1.790 1.00 0.00 C ATOM 655 O PHE A 45 -1.091 -0.215 -2.783 1.00 0.00 O ATOM 656 CB PHE A 45 -0.895 -2.374 -0.727 1.00 0.00 C ATOM 657 CG PHE A 45 0.240 -1.562 -0.108 1.00 0.00 C ATOM 658 CD1 PHE A 45 -0.003 -0.377 0.616 1.00 0.00 C ATOM 659 CD2 PHE A 45 1.573 -1.946 -0.360 1.00 0.00 C ATOM 660 CE1 PHE A 45 1.064 0.486 0.915 1.00 0.00 C ATOM 661 CE2 PHE A 45 2.643 -1.171 0.117 1.00 0.00 C ATOM 662 CZ PHE A 45 2.389 0.054 0.751 1.00 0.00 C ATOM 0 H PHE A 45 -2.511 -2.305 -3.125 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.791 -1.461 -0.306 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.197 -3.131 -0.003 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.493 -2.903 -1.591 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.004 -0.134 0.939 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.773 -2.844 -0.925 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.864 1.485 1.272 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.659 -1.518 -0.004 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.207 0.660 1.110 1.00 0.00 H new ATOM 672 N HIS A 46 -2.313 0.825 -1.201 1.00 0.00 N ATOM 673 CA HIS A 46 -1.993 2.155 -1.711 1.00 0.00 C ATOM 674 C HIS A 46 -1.874 3.206 -0.618 1.00 0.00 C ATOM 675 O HIS A 46 -2.319 3.013 0.516 1.00 0.00 O ATOM 676 CB HIS A 46 -3.044 2.636 -2.721 1.00 0.00 C ATOM 677 CG HIS A 46 -3.708 1.546 -3.491 1.00 0.00 C ATOM 678 ND1 HIS A 46 -4.924 0.952 -3.164 1.00 0.00 N ATOM 679 CD2 HIS A 46 -3.165 0.843 -4.520 1.00 0.00 C ATOM 680 CE1 HIS A 46 -5.110 -0.076 -4.010 1.00 0.00 C ATOM 681 NE2 HIS A 46 -4.066 -0.119 -4.831 1.00 0.00 N ATOM 0 H HIS A 46 -2.927 0.814 -0.387 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.022 2.045 -2.193 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.807 3.204 -2.189 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.568 3.321 -3.423 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.210 1.016 -4.993 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.956 -0.747 -4.021 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.958 -0.787 -5.594 1.00 0.00 H new ATOM 689 N VAL A 47 -1.335 4.355 -1.036 1.00 0.00 N ATOM 690 CA VAL A 47 -1.356 5.603 -0.297 1.00 0.00 C ATOM 691 C VAL A 47 -2.571 6.407 -0.780 1.00 0.00 C ATOM 692 O VAL A 47 -2.576 6.950 -1.888 1.00 0.00 O ATOM 693 CB VAL A 47 -0.033 6.362 -0.508 1.00 0.00 C ATOM 694 CG1 VAL A 47 0.074 7.497 0.512 1.00 0.00 C ATOM 695 CG2 VAL A 47 1.187 5.441 -0.352 1.00 0.00 C ATOM 0 H VAL A 47 -0.856 4.436 -1.933 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.448 5.429 0.775 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.038 6.755 -1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.011 8.034 0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.763 8.183 0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.050 7.084 1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.100 6.016 -0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.195 5.014 0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.133 4.638 -1.087 1.00 0.00 H new ATOM 705 N HIS A 48 -3.626 6.443 0.034 1.00 0.00 N ATOM 706 CA HIS A 48 -4.814 7.237 -0.215 1.00 0.00 C ATOM 707 C HIS A 48 -4.525 8.680 0.172 1.00 0.00 C ATOM 708 O HIS A 48 -3.818 8.921 1.153 1.00 0.00 O ATOM 709 CB HIS A 48 -5.967 6.683 0.622 1.00 0.00 C ATOM 710 CG HIS A 48 -6.472 5.366 0.094 1.00 0.00 C ATOM 711 ND1 HIS A 48 -7.738 5.136 -0.341 1.00 0.00 N ATOM 712 CD2 HIS A 48 -5.697 4.280 -0.180 1.00 0.00 C ATOM 713 CE1 HIS A 48 -7.784 3.921 -0.883 1.00 0.00 C ATOM 714 NE2 HIS A 48 -6.557 3.385 -0.810 1.00 0.00 N ATOM 0 H HIS A 48 -3.673 5.908 0.901 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.090 7.195 -1.269 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.637 6.557 1.653 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.784 7.405 0.635 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -4.649 4.144 0.042 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.658 3.449 -1.308 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -6.295 2.464 -1.162 1.00 0.00 H new ATOM 722 N GLU A 49 -5.062 9.628 -0.599 1.00 0.00 N ATOM 723 CA GLU A 49 -4.867 11.037 -0.297 1.00 0.00 C ATOM 724 C GLU A 49 -5.833 11.501 0.808 1.00 0.00 C ATOM 725 O GLU A 49 -6.358 10.665 1.548 1.00 0.00 O ATOM 726 CB GLU A 49 -4.972 11.857 -1.585 1.00 0.00 C ATOM 727 CG GLU A 49 -4.060 13.090 -1.491 1.00 0.00 C ATOM 728 CD GLU A 49 -4.807 14.335 -1.909 1.00 0.00 C ATOM 729 OE1 GLU A 49 -5.652 14.727 -1.077 1.00 0.00 O ATOM 730 OE2 GLU A 49 -4.544 14.827 -3.026 1.00 0.00 O ATOM 0 H GLU A 49 -5.628 9.443 -1.427 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.865 11.196 0.103 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.686 11.246 -2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.004 12.168 -1.746 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.696 13.203 -0.470 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.186 12.952 -2.128 1.00 0.00 H new ATOM 876 N PRO A 62 -9.105 9.288 -2.311 1.00 0.00 N ATOM 877 CA PRO A 62 -8.865 8.602 -3.561 1.00 0.00 C ATOM 878 C PRO A 62 -7.393 8.182 -3.678 1.00 0.00 C ATOM 879 O PRO A 62 -6.528 8.719 -2.978 1.00 0.00 O ATOM 880 CB PRO A 62 -9.320 9.583 -4.649 1.00 0.00 C ATOM 881 CG PRO A 62 -9.198 10.958 -3.986 1.00 0.00 C ATOM 882 CD PRO A 62 -9.478 10.675 -2.511 1.00 0.00 C ATOM 0 HA PRO A 62 -9.417 7.666 -3.649 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.693 9.512 -5.538 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.344 9.382 -4.964 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.206 11.386 -4.130 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -9.914 11.667 -4.401 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -8.898 11.335 -1.867 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.529 10.838 -2.272 1.00 0.00 H new ATOM 890 N HIS A 63 -7.113 7.205 -4.554 1.00 0.00 N ATOM 891 CA HIS A 63 -5.749 6.855 -4.939 1.00 0.00 C ATOM 892 C HIS A 63 -4.981 8.130 -5.264 1.00 0.00 C ATOM 893 O HIS A 63 -5.343 8.828 -6.213 1.00 0.00 O ATOM 894 CB HIS A 63 -5.737 5.977 -6.199 1.00 0.00 C ATOM 895 CG HIS A 63 -5.790 4.497 -5.945 1.00 0.00 C ATOM 896 ND1 HIS A 63 -5.050 3.499 -6.596 1.00 0.00 N ATOM 897 CD2 HIS A 63 -6.627 3.877 -5.068 1.00 0.00 C ATOM 898 CE1 HIS A 63 -5.494 2.306 -6.128 1.00 0.00 C ATOM 899 NE2 HIS A 63 -6.425 2.540 -5.193 1.00 0.00 N ATOM 0 H HIS A 63 -7.829 6.640 -5.011 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.295 6.312 -4.111 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.586 6.253 -6.824 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.836 6.200 -6.770 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.323 4.359 -4.397 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.155 1.334 -6.453 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -6.910 1.821 -4.655 1.00 0.00 H new ATOM 907 N PHE A 64 -3.930 8.428 -4.501 1.00 0.00 N ATOM 908 CA PHE A 64 -3.205 9.665 -4.704 1.00 0.00 C ATOM 909 C PHE A 64 -2.538 9.650 -6.082 1.00 0.00 C ATOM 910 O PHE A 64 -1.646 8.838 -6.324 1.00 0.00 O ATOM 911 CB PHE A 64 -2.180 9.852 -3.584 1.00 0.00 C ATOM 912 CG PHE A 64 -1.494 11.208 -3.517 1.00 0.00 C ATOM 913 CD1 PHE A 64 -1.941 12.316 -4.271 1.00 0.00 C ATOM 914 CD2 PHE A 64 -0.502 11.396 -2.541 1.00 0.00 C ATOM 915 CE1 PHE A 64 -1.376 13.585 -4.071 1.00 0.00 C ATOM 916 CE2 PHE A 64 0.035 12.675 -2.319 1.00 0.00 C ATOM 917 CZ PHE A 64 -0.395 13.769 -3.087 1.00 0.00 C ATOM 0 H PHE A 64 -3.572 7.836 -3.751 1.00 0.00 H new ATOM 0 HA PHE A 64 -3.894 10.509 -4.672 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -2.678 9.673 -2.631 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.413 9.085 -3.691 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.722 12.186 -5.006 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.151 10.556 -1.960 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.697 14.420 -4.676 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.783 12.818 -1.553 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.029 14.748 -2.920 1.00 0.00 H new ATOM 927 N ASN A 65 -2.984 10.531 -6.982 1.00 0.00 N ATOM 928 CA ASN A 65 -2.537 10.609 -8.367 1.00 0.00 C ATOM 929 C ASN A 65 -2.069 12.024 -8.731 1.00 0.00 C ATOM 930 O ASN A 65 -2.693 12.685 -9.560 1.00 0.00 O ATOM 931 CB ASN A 65 -3.701 10.172 -9.260 1.00 0.00 C ATOM 932 CG ASN A 65 -3.342 10.216 -10.741 1.00 0.00 C ATOM 933 OD1 ASN A 65 -2.176 10.094 -11.122 1.00 0.00 O ATOM 934 ND2 ASN A 65 -4.350 10.357 -11.590 1.00 0.00 N ATOM 0 H ASN A 65 -3.690 11.231 -6.754 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.679 9.952 -8.513 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.002 9.159 -8.991 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -4.559 10.819 -9.077 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.173 10.367 -12.594 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.303 10.455 -11.239 1.00 0.00 H new ATOM 941 N PRO A 66 -0.949 12.501 -8.172 1.00 0.00 N ATOM 942 CA PRO A 66 -0.406 13.803 -8.519 1.00 0.00 C ATOM 943 C PRO A 66 0.270 13.764 -9.896 1.00 0.00 C ATOM 944 O PRO A 66 0.444 14.800 -10.529 1.00 0.00 O ATOM 945 CB PRO A 66 0.582 14.121 -7.398 1.00 0.00 C ATOM 946 CG PRO A 66 1.109 12.747 -6.987 1.00 0.00 C ATOM 947 CD PRO A 66 -0.068 11.802 -7.252 1.00 0.00 C ATOM 0 HA PRO A 66 -1.175 14.572 -8.600 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.385 14.772 -7.743 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.095 14.630 -6.566 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.986 12.465 -7.570 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.405 12.731 -5.938 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.277 10.862 -7.682 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.587 11.558 -6.325 1.00 0.00 H new ATOM 955 N LEU A 67 0.634 12.567 -10.379 1.00 0.00 N ATOM 956 CA LEU A 67 1.218 12.374 -11.700 1.00 0.00 C ATOM 957 C LEU A 67 0.165 12.550 -12.797 1.00 0.00 C ATOM 958 O LEU A 67 0.519 12.692 -13.964 1.00 0.00 O ATOM 959 CB LEU A 67 1.852 10.975 -11.783 1.00 0.00 C ATOM 960 CG LEU A 67 3.140 10.840 -10.955 1.00 0.00 C ATOM 961 CD1 LEU A 67 3.500 9.357 -10.814 1.00 0.00 C ATOM 962 CD2 LEU A 67 4.313 11.573 -11.624 1.00 0.00 C ATOM 0 H LEU A 67 0.527 11.700 -9.852 1.00 0.00 H new ATOM 0 HA LEU A 67 1.989 13.129 -11.855 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.129 10.235 -11.440 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.073 10.745 -12.825 1.00 0.00 H new ATOM 0 HG LEU A 67 2.962 11.287 -9.977 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.413 9.258 -10.227 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.688 8.832 -10.312 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.656 8.925 -11.802 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.209 11.459 -11.014 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.491 11.149 -12.613 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.073 12.632 -11.721 1.00 0.00 H new ATOM 974 N SER A 68 -1.122 12.527 -12.435 1.00 0.00 N ATOM 975 CA SER A 68 -2.233 12.696 -13.354 1.00 0.00 C ATOM 976 C SER A 68 -2.269 11.579 -14.403 1.00 0.00 C ATOM 977 O SER A 68 -2.602 11.837 -15.560 1.00 0.00 O ATOM 978 CB SER A 68 -2.194 14.094 -13.996 1.00 0.00 C ATOM 979 OG SER A 68 -3.376 14.317 -14.739 1.00 0.00 O ATOM 0 H SER A 68 -1.418 12.386 -11.469 1.00 0.00 H new ATOM 0 HA SER A 68 -3.161 12.619 -12.787 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.091 14.856 -13.223 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.324 14.181 -14.647 1.00 0.00 H new ATOM 0 HG SER A 68 -3.513 13.576 -15.366 1.00 0.00 H new ATOM 985 N ARG A 69 -1.959 10.342 -13.997 1.00 0.00 N ATOM 986 CA ARG A 69 -2.014 9.168 -14.865 1.00 0.00 C ATOM 987 C ARG A 69 -3.116 8.228 -14.390 1.00 0.00 C ATOM 988 O ARG A 69 -3.736 8.480 -13.360 1.00 0.00 O ATOM 989 CB ARG A 69 -0.661 8.454 -14.875 1.00 0.00 C ATOM 990 CG ARG A 69 0.461 9.354 -15.395 1.00 0.00 C ATOM 991 CD ARG A 69 1.732 8.519 -15.585 1.00 0.00 C ATOM 992 NE ARG A 69 2.533 9.036 -16.704 1.00 0.00 N ATOM 993 CZ ARG A 69 3.241 8.291 -17.573 1.00 0.00 C ATOM 994 NH1 ARG A 69 3.372 6.970 -17.404 1.00 0.00 N ATOM 995 NH2 ARG A 69 3.827 8.891 -18.616 1.00 0.00 N ATOM 0 H ARG A 69 -1.660 10.130 -13.045 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.239 9.485 -15.883 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.420 8.121 -13.865 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.727 7.562 -15.497 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.168 9.811 -16.340 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.647 10.166 -14.692 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.324 8.536 -14.670 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.465 7.479 -15.773 1.00 0.00 H new ATOM 0 HE ARG A 69 2.554 10.048 -16.833 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.931 6.512 -16.606 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.912 6.421 -18.073 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.734 9.899 -18.743 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.367 8.341 -19.284 1.00 0.00 H new ATOM 1009 N LYS A 70 -3.391 7.140 -15.109 1.00 0.00 N ATOM 1010 CA LYS A 70 -4.304 6.140 -14.610 1.00 0.00 C ATOM 1011 C LYS A 70 -3.601 5.220 -13.598 1.00 0.00 C ATOM 1012 O LYS A 70 -2.402 5.320 -13.350 1.00 0.00 O ATOM 1013 CB LYS A 70 -4.903 5.416 -15.814 1.00 0.00 C ATOM 1014 CG LYS A 70 -6.055 6.242 -16.396 1.00 0.00 C ATOM 1015 CD LYS A 70 -6.444 5.715 -17.781 1.00 0.00 C ATOM 1016 CE LYS A 70 -7.669 6.476 -18.319 1.00 0.00 C ATOM 1017 NZ LYS A 70 -7.538 6.791 -19.757 1.00 0.00 N ATOM 0 H LYS A 70 -2.995 6.939 -16.027 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.125 6.587 -14.050 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.137 5.258 -16.573 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.264 4.432 -15.516 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.916 6.198 -15.728 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.760 7.289 -16.468 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.606 5.829 -18.469 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.666 4.650 -17.723 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.566 5.878 -18.159 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.798 7.400 -17.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.384 7.303 -20.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.696 7.383 -19.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.441 5.908 -20.298 1.00 0.00 H new ATOM 1031 N HIS A 71 -4.395 4.375 -12.944 1.00 0.00 N ATOM 1032 CA HIS A 71 -3.938 3.419 -11.952 1.00 0.00 C ATOM 1033 C HIS A 71 -3.137 2.325 -12.638 1.00 0.00 C ATOM 1034 O HIS A 71 -3.420 1.978 -13.784 1.00 0.00 O ATOM 1035 CB HIS A 71 -5.146 2.786 -11.249 1.00 0.00 C ATOM 1036 CG HIS A 71 -4.775 1.796 -10.177 1.00 0.00 C ATOM 1037 ND1 HIS A 71 -4.029 2.039 -9.027 1.00 0.00 N ATOM 1038 CD2 HIS A 71 -5.110 0.474 -10.136 1.00 0.00 C ATOM 1039 CE1 HIS A 71 -3.759 0.857 -8.447 1.00 0.00 C ATOM 1040 NE2 HIS A 71 -4.540 -0.058 -9.017 1.00 0.00 N ATOM 0 H HIS A 71 -5.403 4.340 -13.098 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.315 3.932 -11.219 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.752 3.576 -10.807 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.767 2.286 -11.993 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -3.738 2.955 -8.684 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.716 -0.054 -10.857 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -3.039 0.681 -7.661 1.00 0.00 H new ATOM 1048 N GLY A 72 -2.202 1.726 -11.907 1.00 0.00 N ATOM 1049 CA GLY A 72 -1.566 0.504 -12.345 1.00 0.00 C ATOM 1050 C GLY A 72 -0.743 -0.062 -11.203 1.00 0.00 C ATOM 1051 O GLY A 72 -1.040 0.223 -10.043 1.00 0.00 O ATOM 0 H GLY A 72 -1.872 2.074 -11.007 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.318 -0.219 -12.662 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.929 0.700 -13.207 1.00 0.00 H new ATOM 1055 N GLY A 73 0.282 -0.850 -11.522 1.00 0.00 N ATOM 1056 CA GLY A 73 1.252 -1.345 -10.559 1.00 0.00 C ATOM 1057 C GLY A 73 2.668 -0.988 -11.000 1.00 0.00 C ATOM 1058 O GLY A 73 2.873 -0.501 -12.111 1.00 0.00 O ATOM 0 H GLY A 73 0.461 -1.166 -12.475 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.051 -0.916 -9.577 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.157 -2.426 -10.460 1.00 0.00 H new ATOM 1062 N PRO A 74 3.677 -1.281 -10.167 1.00 0.00 N ATOM 1063 CA PRO A 74 5.072 -1.006 -10.479 1.00 0.00 C ATOM 1064 C PRO A 74 5.602 -1.845 -11.653 1.00 0.00 C ATOM 1065 O PRO A 74 6.745 -1.651 -12.061 1.00 0.00 O ATOM 1066 CB PRO A 74 5.830 -1.267 -9.173 1.00 0.00 C ATOM 1067 CG PRO A 74 4.968 -2.308 -8.460 1.00 0.00 C ATOM 1068 CD PRO A 74 3.549 -1.915 -8.866 1.00 0.00 C ATOM 0 HA PRO A 74 5.207 0.020 -10.822 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.836 -1.641 -9.361 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.933 -0.358 -8.581 1.00 0.00 H new ATOM 0 HG2 PRO A 74 5.213 -3.321 -8.778 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.103 -2.272 -7.379 1.00 0.00 H new ATOM 0 HD2 PRO A 74 2.900 -2.789 -8.918 1.00 0.00 H new ATOM 0 HD3 PRO A 74 3.108 -1.233 -8.139 1.00 0.00 H new ATOM 1076 N LYS A 75 4.792 -2.758 -12.206 1.00 0.00 N ATOM 1077 CA LYS A 75 5.096 -3.503 -13.425 1.00 0.00 C ATOM 1078 C LYS A 75 4.145 -3.157 -14.582 1.00 0.00 C ATOM 1079 O LYS A 75 4.158 -3.871 -15.585 1.00 0.00 O ATOM 1080 CB LYS A 75 5.112 -5.009 -13.103 1.00 0.00 C ATOM 1081 CG LYS A 75 6.452 -5.422 -12.472 1.00 0.00 C ATOM 1082 CD LYS A 75 7.288 -6.340 -13.383 1.00 0.00 C ATOM 1083 CE LYS A 75 6.844 -7.816 -13.340 1.00 0.00 C ATOM 1084 NZ LYS A 75 5.932 -8.187 -14.443 1.00 0.00 N ATOM 0 H LYS A 75 3.886 -3.001 -11.805 1.00 0.00 H new ATOM 0 HA LYS A 75 6.085 -3.209 -13.777 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.296 -5.248 -12.421 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.943 -5.582 -14.015 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.029 -4.527 -12.239 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.261 -5.932 -11.528 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.222 -5.978 -14.409 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.336 -6.275 -13.089 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.727 -8.454 -13.378 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.350 -8.011 -12.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.060 -8.596 -14.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.697 -7.340 -14.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.396 -8.886 -15.057 1.00 0.00 H new ATOM 1098 N ASP A 76 3.379 -2.063 -14.488 1.00 0.00 N ATOM 1099 CA ASP A 76 2.650 -1.504 -15.624 1.00 0.00 C ATOM 1100 C ASP A 76 3.341 -0.222 -16.083 1.00 0.00 C ATOM 1101 O ASP A 76 4.162 0.359 -15.374 1.00 0.00 O ATOM 1102 CB ASP A 76 1.182 -1.229 -15.270 1.00 0.00 C ATOM 1103 CG ASP A 76 0.374 -2.507 -15.148 1.00 0.00 C ATOM 1104 OD1 ASP A 76 0.362 -3.056 -14.028 1.00 0.00 O ATOM 1105 OD2 ASP A 76 -0.230 -2.905 -16.173 1.00 0.00 O ATOM 0 H ASP A 76 3.250 -1.543 -13.620 1.00 0.00 H new ATOM 0 HA ASP A 76 2.656 -2.233 -16.435 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.133 -0.679 -14.330 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.738 -0.592 -16.035 1.00 0.00 H new ATOM 1110 N GLU A 77 2.984 0.210 -17.292 1.00 0.00 N ATOM 1111 CA GLU A 77 3.435 1.461 -17.888 1.00 0.00 C ATOM 1112 C GLU A 77 2.884 2.658 -17.106 1.00 0.00 C ATOM 1113 O GLU A 77 3.540 3.693 -16.970 1.00 0.00 O ATOM 1114 CB GLU A 77 3.006 1.489 -19.364 1.00 0.00 C ATOM 1115 CG GLU A 77 1.484 1.423 -19.577 1.00 0.00 C ATOM 1116 CD GLU A 77 1.150 1.203 -21.046 1.00 0.00 C ATOM 1117 OE1 GLU A 77 1.431 2.131 -21.834 1.00 0.00 O ATOM 1118 OE2 GLU A 77 0.639 0.104 -21.347 1.00 0.00 O ATOM 0 H GLU A 77 2.356 -0.317 -17.898 1.00 0.00 H new ATOM 0 HA GLU A 77 4.522 1.529 -17.841 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.387 2.400 -19.825 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.471 0.651 -19.882 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.064 0.614 -18.979 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.024 2.348 -19.230 1.00 0.00 H new ATOM 1125 N GLU A 78 1.664 2.489 -16.599 1.00 0.00 N ATOM 1126 CA GLU A 78 0.926 3.466 -15.826 1.00 0.00 C ATOM 1127 C GLU A 78 0.957 3.036 -14.360 1.00 0.00 C ATOM 1128 O GLU A 78 1.005 1.845 -14.071 1.00 0.00 O ATOM 1129 CB GLU A 78 -0.511 3.497 -16.353 1.00 0.00 C ATOM 1130 CG GLU A 78 -1.125 4.877 -16.148 1.00 0.00 C ATOM 1131 CD GLU A 78 -0.866 5.840 -17.297 1.00 0.00 C ATOM 1132 OE1 GLU A 78 0.326 6.138 -17.541 1.00 0.00 O ATOM 1133 OE2 GLU A 78 -1.886 6.346 -17.814 1.00 0.00 O ATOM 0 H GLU A 78 1.144 1.621 -16.727 1.00 0.00 H new ATOM 0 HA GLU A 78 1.361 4.462 -15.912 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.522 3.241 -17.413 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.110 2.746 -15.838 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.201 4.769 -16.012 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.729 5.308 -15.228 1.00 0.00 H new ATOM 1140 N ARG A 79 0.926 4.002 -13.443 1.00 0.00 N ATOM 1141 CA ARG A 79 0.908 3.800 -12.003 1.00 0.00 C ATOM 1142 C ARG A 79 0.814 5.184 -11.366 1.00 0.00 C ATOM 1143 O ARG A 79 1.501 6.108 -11.805 1.00 0.00 O ATOM 1144 CB ARG A 79 2.151 3.033 -11.517 1.00 0.00 C ATOM 1145 CG ARG A 79 3.475 3.682 -11.939 1.00 0.00 C ATOM 1146 CD ARG A 79 4.623 2.689 -11.731 1.00 0.00 C ATOM 1147 NE ARG A 79 5.902 3.250 -12.191 1.00 0.00 N ATOM 1148 CZ ARG A 79 6.658 4.126 -11.512 1.00 0.00 C ATOM 1149 NH1 ARG A 79 6.300 4.509 -10.280 1.00 0.00 N ATOM 1150 NH2 ARG A 79 7.767 4.624 -12.073 1.00 0.00 N ATOM 0 H ARG A 79 0.912 4.989 -13.700 1.00 0.00 H new ATOM 0 HA ARG A 79 0.056 3.185 -11.714 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.121 2.961 -10.430 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.115 2.015 -11.905 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.427 3.984 -12.985 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.652 4.585 -11.355 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.696 2.429 -10.675 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.412 1.767 -12.272 1.00 0.00 H new ATOM 0 HE ARG A 79 6.243 2.948 -13.103 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.451 4.135 -9.856 1.00 0.00 H new ATOM 0 HH12 ARG A 79 6.876 5.175 -9.765 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.035 4.337 -13.014 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.344 5.290 -11.559 1.00 0.00 H new ATOM 1164 N HIS A 80 -0.036 5.348 -10.355 1.00 0.00 N ATOM 1165 CA HIS A 80 -0.067 6.561 -9.553 1.00 0.00 C ATOM 1166 C HIS A 80 1.132 6.581 -8.596 1.00 0.00 C ATOM 1167 O HIS A 80 1.830 5.578 -8.445 1.00 0.00 O ATOM 1168 CB HIS A 80 -1.366 6.635 -8.750 1.00 0.00 C ATOM 1169 CG HIS A 80 -2.653 6.382 -9.494 1.00 0.00 C ATOM 1170 ND1 HIS A 80 -3.723 5.583 -9.076 1.00 0.00 N ATOM 1171 CD2 HIS A 80 -3.038 6.960 -10.667 1.00 0.00 C ATOM 1172 CE1 HIS A 80 -4.773 5.882 -9.860 1.00 0.00 C ATOM 1173 NE2 HIS A 80 -4.343 6.625 -10.883 1.00 0.00 N ATOM 0 H HIS A 80 -0.719 4.645 -10.072 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.015 7.422 -10.219 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.300 5.915 -7.935 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -1.427 7.625 -8.297 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.422 7.572 -11.309 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.794 5.573 -9.691 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.899 6.898 -11.693 1.00 0.00 H new ATOM 1181 N VAL A 81 1.357 7.709 -7.908 1.00 0.00 N ATOM 1182 CA VAL A 81 2.512 7.857 -7.027 1.00 0.00 C ATOM 1183 C VAL A 81 2.510 6.777 -5.940 1.00 0.00 C ATOM 1184 O VAL A 81 3.546 6.184 -5.656 1.00 0.00 O ATOM 1185 CB VAL A 81 2.601 9.290 -6.462 1.00 0.00 C ATOM 1186 CG1 VAL A 81 1.632 9.566 -5.303 1.00 0.00 C ATOM 1187 CG2 VAL A 81 4.021 9.594 -5.981 1.00 0.00 C ATOM 0 H VAL A 81 0.752 8.529 -7.948 1.00 0.00 H new ATOM 0 HA VAL A 81 3.420 7.705 -7.611 1.00 0.00 H new ATOM 0 HB VAL A 81 2.318 9.939 -7.291 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.756 10.594 -4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.607 9.418 -5.643 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.844 8.883 -4.481 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.062 10.609 -5.586 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.299 8.889 -5.198 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.716 9.501 -6.816 1.00 0.00 H new ATOM 1197 N GLY A 82 1.340 6.511 -5.347 1.00 0.00 N ATOM 1198 CA GLY A 82 1.204 5.544 -4.269 1.00 0.00 C ATOM 1199 C GLY A 82 0.682 4.188 -4.739 1.00 0.00 C ATOM 1200 O GLY A 82 0.051 3.489 -3.946 1.00 0.00 O ATOM 0 H GLY A 82 0.464 6.965 -5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.173 5.406 -3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 82 0.528 5.944 -3.514 1.00 0.00 H new ATOM 1204 N ASP A 83 0.911 3.808 -6.003 1.00 0.00 N ATOM 1205 CA ASP A 83 0.438 2.530 -6.527 1.00 0.00 C ATOM 1206 C ASP A 83 1.451 1.426 -6.278 1.00 0.00 C ATOM 1207 O ASP A 83 2.096 0.922 -7.196 1.00 0.00 O ATOM 1208 CB ASP A 83 0.070 2.667 -8.003 1.00 0.00 C ATOM 1209 CG ASP A 83 -1.297 3.300 -8.175 1.00 0.00 C ATOM 1210 OD1 ASP A 83 -1.935 3.640 -7.156 1.00 0.00 O ATOM 1211 OD2 ASP A 83 -1.723 3.436 -9.338 1.00 0.00 O ATOM 0 H ASP A 83 1.423 4.373 -6.680 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.467 2.243 -5.992 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.820 3.273 -8.512 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.080 1.684 -8.475 1.00 0.00 H new ATOM 1216 N LEU A 84 1.525 0.996 -5.024 1.00 0.00 N ATOM 1217 CA LEU A 84 2.453 -0.029 -4.577 1.00 0.00 C ATOM 1218 C LEU A 84 1.799 -1.403 -4.735 1.00 0.00 C ATOM 1219 O LEU A 84 1.828 -2.226 -3.823 1.00 0.00 O ATOM 1220 CB LEU A 84 2.886 0.308 -3.143 1.00 0.00 C ATOM 1221 CG LEU A 84 3.414 1.755 -3.032 1.00 0.00 C ATOM 1222 CD1 LEU A 84 3.912 2.034 -1.613 1.00 0.00 C ATOM 1223 CD2 LEU A 84 4.529 2.037 -4.044 1.00 0.00 C ATOM 0 H LEU A 84 0.930 1.358 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 84 3.359 -0.060 -5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.041 0.176 -2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.662 -0.388 -2.824 1.00 0.00 H new ATOM 0 HG LEU A 84 2.582 2.422 -3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.281 3.058 -1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.092 1.901 -0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.718 1.343 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.871 3.066 -3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.362 1.356 -3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.149 1.890 -5.055 1.00 0.00 H new ATOM 1235 N GLY A 85 1.226 -1.629 -5.928 1.00 0.00 N ATOM 1236 CA GLY A 85 0.398 -2.772 -6.285 1.00 0.00 C ATOM 1237 C GLY A 85 -0.366 -3.387 -5.106 1.00 0.00 C ATOM 1238 O GLY A 85 -1.117 -2.710 -4.407 1.00 0.00 O ATOM 0 H GLY A 85 1.340 -0.979 -6.706 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.318 -2.464 -7.047 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.030 -3.538 -6.733 1.00 0.00 H new ATOM 1242 N ASN A 86 -0.171 -4.692 -4.909 1.00 0.00 N ATOM 1243 CA ASN A 86 -0.856 -5.505 -3.916 1.00 0.00 C ATOM 1244 C ASN A 86 0.170 -6.277 -3.099 1.00 0.00 C ATOM 1245 O ASN A 86 1.266 -6.540 -3.594 1.00 0.00 O ATOM 1246 CB ASN A 86 -1.853 -6.458 -4.597 1.00 0.00 C ATOM 1247 CG ASN A 86 -1.319 -7.209 -5.816 1.00 0.00 C ATOM 1248 OD1 ASN A 86 -2.057 -7.407 -6.773 1.00 0.00 O ATOM 1249 ND2 ASN A 86 -0.059 -7.642 -5.824 1.00 0.00 N ATOM 0 H ASN A 86 0.497 -5.229 -5.462 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.422 -4.858 -3.246 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.191 -7.188 -3.862 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.728 -5.884 -4.901 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.302 -8.145 -6.634 1.00 0.00 H new ATOM 0 HD22 ASN A 86 0.545 -7.470 -5.020 1.00 0.00 H new ATOM 1256 N VAL A 87 -0.200 -6.674 -1.881 1.00 0.00 N ATOM 1257 CA VAL A 87 0.640 -7.436 -0.967 1.00 0.00 C ATOM 1258 C VAL A 87 0.074 -8.843 -0.907 1.00 0.00 C ATOM 1259 O VAL A 87 -1.068 -9.037 -1.313 1.00 0.00 O ATOM 1260 CB VAL A 87 0.665 -6.790 0.431 1.00 0.00 C ATOM 1261 CG1 VAL A 87 1.201 -5.363 0.343 1.00 0.00 C ATOM 1262 CG2 VAL A 87 -0.712 -6.796 1.108 1.00 0.00 C ATOM 0 H VAL A 87 -1.121 -6.466 -1.495 1.00 0.00 H new ATOM 0 HA VAL A 87 1.671 -7.453 -1.320 1.00 0.00 H new ATOM 0 HB VAL A 87 1.329 -7.394 1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.214 -4.917 1.338 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.213 -5.379 -0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.559 -4.773 -0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.637 -6.329 2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.421 -6.240 0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.058 -7.824 1.221 1.00 0.00 H new ATOM 1272 N THR A 88 0.840 -9.787 -0.369 1.00 0.00 N ATOM 1273 CA THR A 88 0.511 -11.207 -0.336 1.00 0.00 C ATOM 1274 C THR A 88 0.320 -11.615 1.118 1.00 0.00 C ATOM 1275 O THR A 88 1.267 -11.536 1.895 1.00 0.00 O ATOM 1276 CB THR A 88 1.635 -12.012 -1.005 1.00 0.00 C ATOM 1277 OG1 THR A 88 2.002 -11.386 -2.220 1.00 0.00 O ATOM 1278 CG2 THR A 88 1.181 -13.442 -1.309 1.00 0.00 C ATOM 0 H THR A 88 1.736 -9.577 0.070 1.00 0.00 H new ATOM 0 HA THR A 88 -0.409 -11.408 -0.885 1.00 0.00 H new ATOM 0 HB THR A 88 2.482 -12.048 -0.320 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.720 -11.897 -2.648 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.996 -13.990 -1.782 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.900 -13.940 -0.381 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.323 -13.416 -1.981 1.00 0.00 H new ATOM 1286 N ALA A 89 -0.898 -12.016 1.488 1.00 0.00 N ATOM 1287 CA ALA A 89 -1.205 -12.509 2.819 1.00 0.00 C ATOM 1288 C ALA A 89 -0.943 -14.008 2.904 1.00 0.00 C ATOM 1289 O ALA A 89 -1.192 -14.744 1.946 1.00 0.00 O ATOM 1290 CB ALA A 89 -2.653 -12.182 3.172 1.00 0.00 C ATOM 0 H ALA A 89 -1.702 -12.005 0.861 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.555 -12.015 3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.877 -12.555 4.172 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.799 -11.102 3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.319 -12.655 2.451 1.00 0.00 H new ATOM 1296 N ASP A 90 -0.458 -14.432 4.071 1.00 0.00 N ATOM 1297 CA ASP A 90 -0.201 -15.812 4.447 1.00 0.00 C ATOM 1298 C ASP A 90 -1.489 -16.487 4.901 1.00 0.00 C ATOM 1299 O ASP A 90 -2.519 -15.837 5.079 1.00 0.00 O ATOM 1300 CB ASP A 90 0.885 -15.860 5.537 1.00 0.00 C ATOM 1301 CG ASP A 90 1.777 -17.084 5.382 1.00 0.00 C ATOM 1302 OD1 ASP A 90 1.204 -18.185 5.248 1.00 0.00 O ATOM 1303 OD2 ASP A 90 3.011 -16.903 5.379 1.00 0.00 O ATOM 0 H ASP A 90 -0.222 -13.780 4.819 1.00 0.00 H new ATOM 0 HA ASP A 90 0.166 -16.363 3.581 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.493 -14.957 5.486 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.415 -15.873 6.520 1.00 0.00 H new ATOM 1308 N LYS A 91 -1.405 -17.786 5.165 1.00 0.00 N ATOM 1309 CA LYS A 91 -2.481 -18.614 5.651 1.00 0.00 C ATOM 1310 C LYS A 91 -2.956 -18.197 7.046 1.00 0.00 C ATOM 1311 O LYS A 91 -4.005 -18.655 7.491 1.00 0.00 O ATOM 1312 CB LYS A 91 -2.020 -20.075 5.621 1.00 0.00 C ATOM 1313 CG LYS A 91 -0.905 -20.414 6.627 1.00 0.00 C ATOM 1314 CD LYS A 91 -0.445 -21.878 6.573 1.00 0.00 C ATOM 1315 CE LYS A 91 -1.577 -22.872 6.876 1.00 0.00 C ATOM 1316 NZ LYS A 91 -2.357 -23.228 5.672 1.00 0.00 N ATOM 0 H LYS A 91 -0.538 -18.307 5.037 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.346 -18.488 5.000 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.878 -20.718 5.819 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.670 -20.312 4.616 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.049 -19.767 6.438 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.257 -20.191 7.634 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.038 -22.089 5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.363 -22.026 7.289 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.154 -23.777 7.311 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.244 -22.441 7.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.363 -23.021 5.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.017 -22.672 4.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.241 -24.242 5.470 1.00 0.00 H new ATOM 1330 N ASP A 92 -2.180 -17.359 7.747 1.00 0.00 N ATOM 1331 CA ASP A 92 -2.593 -16.806 9.046 1.00 0.00 C ATOM 1332 C ASP A 92 -3.275 -15.447 8.870 1.00 0.00 C ATOM 1333 O ASP A 92 -3.726 -14.819 9.833 1.00 0.00 O ATOM 1334 CB ASP A 92 -1.404 -16.683 10.009 1.00 0.00 C ATOM 1335 CG ASP A 92 -1.852 -16.941 11.452 1.00 0.00 C ATOM 1336 OD1 ASP A 92 -2.428 -16.018 12.085 1.00 0.00 O ATOM 1337 OD2 ASP A 92 -1.632 -18.089 11.892 1.00 0.00 O ATOM 0 H ASP A 92 -1.260 -17.048 7.436 1.00 0.00 H new ATOM 0 HA ASP A 92 -3.310 -17.502 9.482 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.628 -17.396 9.730 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -0.966 -15.688 9.930 1.00 0.00 H new ATOM 1342 N GLY A 93 -3.320 -14.966 7.626 1.00 0.00 N ATOM 1343 CA GLY A 93 -3.884 -13.673 7.315 1.00 0.00 C ATOM 1344 C GLY A 93 -2.906 -12.539 7.601 1.00 0.00 C ATOM 1345 O GLY A 93 -3.327 -11.421 7.918 1.00 0.00 O ATOM 0 H GLY A 93 -2.964 -15.470 6.814 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.172 -13.647 6.264 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.792 -13.524 7.899 1.00 0.00 H new ATOM 1349 N VAL A 94 -1.606 -12.837 7.488 1.00 0.00 N ATOM 1350 CA VAL A 94 -0.507 -11.908 7.707 1.00 0.00 C ATOM 1351 C VAL A 94 0.122 -11.574 6.360 1.00 0.00 C ATOM 1352 O VAL A 94 0.622 -12.478 5.700 1.00 0.00 O ATOM 1353 CB VAL A 94 0.518 -12.547 8.664 1.00 0.00 C ATOM 1354 CG1 VAL A 94 1.844 -11.768 8.705 1.00 0.00 C ATOM 1355 CG2 VAL A 94 -0.074 -12.635 10.075 1.00 0.00 C ATOM 0 H VAL A 94 -1.285 -13.771 7.231 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.864 -10.985 8.165 1.00 0.00 H new ATOM 0 HB VAL A 94 0.737 -13.546 8.287 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.533 -12.258 9.393 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.283 -11.744 7.708 1.00 0.00 H new ATOM 0 HG13 VAL A 94 1.657 -10.749 9.043 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.655 -13.087 10.748 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.322 -11.634 10.429 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.976 -13.246 10.054 1.00 0.00 H new ATOM 1365 N ALA A 95 0.092 -10.308 5.929 1.00 0.00 N ATOM 1366 CA ALA A 95 0.772 -9.871 4.717 1.00 0.00 C ATOM 1367 C ALA A 95 2.023 -9.114 5.128 1.00 0.00 C ATOM 1368 O ALA A 95 1.921 -7.990 5.624 1.00 0.00 O ATOM 1369 CB ALA A 95 -0.142 -9.037 3.805 1.00 0.00 C ATOM 0 H ALA A 95 -0.406 -9.562 6.415 1.00 0.00 H new ATOM 0 HA ALA A 95 1.051 -10.739 4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.410 -8.735 2.915 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.005 -9.634 3.511 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.480 -8.150 4.341 1.00 0.00 H new ATOM 1375 N ASP A 96 3.179 -9.750 4.937 1.00 0.00 N ATOM 1376 CA ASP A 96 4.473 -9.146 5.184 1.00 0.00 C ATOM 1377 C ASP A 96 4.834 -8.298 3.970 1.00 0.00 C ATOM 1378 O ASP A 96 5.058 -8.825 2.881 1.00 0.00 O ATOM 1379 CB ASP A 96 5.535 -10.213 5.481 1.00 0.00 C ATOM 1380 CG ASP A 96 5.381 -10.854 6.857 1.00 0.00 C ATOM 1381 OD1 ASP A 96 4.730 -10.233 7.728 1.00 0.00 O ATOM 1382 OD2 ASP A 96 5.942 -11.957 7.022 1.00 0.00 O ATOM 0 H ASP A 96 3.235 -10.712 4.602 1.00 0.00 H new ATOM 0 HA ASP A 96 4.432 -8.510 6.069 1.00 0.00 H new ATOM 0 HB2 ASP A 96 5.482 -10.990 4.718 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.524 -9.761 5.407 1.00 0.00 H new ATOM 1387 N VAL A 97 4.858 -6.979 4.147 1.00 0.00 N ATOM 1388 CA VAL A 97 5.261 -6.050 3.104 1.00 0.00 C ATOM 1389 C VAL A 97 6.775 -5.913 3.197 1.00 0.00 C ATOM 1390 O VAL A 97 7.308 -5.865 4.305 1.00 0.00 O ATOM 1391 CB VAL A 97 4.557 -4.691 3.269 1.00 0.00 C ATOM 1392 CG1 VAL A 97 4.696 -3.850 1.993 1.00 0.00 C ATOM 1393 CG2 VAL A 97 3.077 -4.882 3.611 1.00 0.00 C ATOM 0 H VAL A 97 4.597 -6.527 5.023 1.00 0.00 H new ATOM 0 HA VAL A 97 4.973 -6.421 2.120 1.00 0.00 H new ATOM 0 HB VAL A 97 5.039 -4.163 4.092 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.192 -2.894 2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 97 5.752 -3.677 1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 97 4.244 -4.382 1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.601 -3.908 3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.587 -5.436 2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.988 -5.438 4.544 1.00 0.00 H new ATOM 1403 N SER A 98 7.453 -5.845 2.050 1.00 0.00 N ATOM 1404 CA SER A 98 8.887 -5.619 1.954 1.00 0.00 C ATOM 1405 C SER A 98 9.189 -5.195 0.516 1.00 0.00 C ATOM 1406 O SER A 98 9.209 -6.038 -0.379 1.00 0.00 O ATOM 1407 CB SER A 98 9.655 -6.885 2.358 1.00 0.00 C ATOM 1408 OG SER A 98 11.041 -6.614 2.450 1.00 0.00 O ATOM 0 H SER A 98 7.003 -5.949 1.141 1.00 0.00 H new ATOM 0 HA SER A 98 9.209 -4.833 2.637 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.286 -7.252 3.316 1.00 0.00 H new ATOM 0 HB3 SER A 98 9.480 -7.673 1.626 1.00 0.00 H new ATOM 0 HG SER A 98 11.517 -7.430 2.710 1.00 0.00 H new ATOM 1414 N ILE A 99 9.362 -3.894 0.280 1.00 0.00 N ATOM 1415 CA ILE A 99 9.680 -3.322 -1.021 1.00 0.00 C ATOM 1416 C ILE A 99 10.484 -2.040 -0.783 1.00 0.00 C ATOM 1417 O ILE A 99 10.703 -1.661 0.367 1.00 0.00 O ATOM 1418 CB ILE A 99 8.386 -3.139 -1.842 1.00 0.00 C ATOM 1419 CG1 ILE A 99 8.672 -2.768 -3.306 1.00 0.00 C ATOM 1420 CG2 ILE A 99 7.421 -2.125 -1.218 1.00 0.00 C ATOM 1421 CD1 ILE A 99 7.533 -3.172 -4.248 1.00 0.00 C ATOM 0 H ILE A 99 9.281 -3.191 1.014 1.00 0.00 H new ATOM 0 HA ILE A 99 10.303 -3.981 -1.626 1.00 0.00 H new ATOM 0 HB ILE A 99 7.896 -4.113 -1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.836 -1.693 -3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.594 -3.253 -3.627 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.530 -2.040 -1.840 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.136 -2.460 -0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.909 -1.153 -1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.787 -2.887 -5.269 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.385 -4.251 -4.199 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.615 -2.666 -3.947 1.00 0.00 H new ATOM 1433 N GLU A 100 10.969 -1.394 -1.842 1.00 0.00 N ATOM 1434 CA GLU A 100 11.804 -0.210 -1.761 1.00 0.00 C ATOM 1435 C GLU A 100 11.386 0.714 -2.905 1.00 0.00 C ATOM 1436 O GLU A 100 11.277 0.238 -4.036 1.00 0.00 O ATOM 1437 CB GLU A 100 13.267 -0.659 -1.868 1.00 0.00 C ATOM 1438 CG GLU A 100 14.271 0.472 -1.640 1.00 0.00 C ATOM 1439 CD GLU A 100 15.690 -0.076 -1.588 1.00 0.00 C ATOM 1440 OE1 GLU A 100 15.985 -0.775 -0.594 1.00 0.00 O ATOM 1441 OE2 GLU A 100 16.439 0.184 -2.552 1.00 0.00 O ATOM 0 H GLU A 100 10.784 -1.691 -2.800 1.00 0.00 H new ATOM 0 HA GLU A 100 11.691 0.332 -0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 100 13.450 -1.449 -1.140 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.435 -1.090 -2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.188 1.207 -2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 100 14.040 0.989 -0.708 1.00 0.00 H new ATOM 1448 N ASP A 101 11.125 1.996 -2.620 1.00 0.00 N ATOM 1449 CA ASP A 101 10.714 2.981 -3.615 1.00 0.00 C ATOM 1450 C ASP A 101 11.707 4.134 -3.625 1.00 0.00 C ATOM 1451 O ASP A 101 12.186 4.557 -2.576 1.00 0.00 O ATOM 1452 CB ASP A 101 9.324 3.533 -3.296 1.00 0.00 C ATOM 1453 CG ASP A 101 8.205 2.667 -3.843 1.00 0.00 C ATOM 1454 OD1 ASP A 101 7.920 2.832 -5.050 1.00 0.00 O ATOM 1455 OD2 ASP A 101 7.642 1.889 -3.045 1.00 0.00 O ATOM 0 H ASP A 101 11.196 2.378 -1.677 1.00 0.00 H new ATOM 0 HA ASP A 101 10.686 2.492 -4.589 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.213 3.621 -2.215 1.00 0.00 H new ATOM 0 HB3 ASP A 101 9.234 4.538 -3.709 1.00 0.00 H new ATOM 1460 N SER A 102 11.972 4.661 -4.824 1.00 0.00 N ATOM 1461 CA SER A 102 12.880 5.773 -5.068 1.00 0.00 C ATOM 1462 C SER A 102 12.147 7.089 -5.345 1.00 0.00 C ATOM 1463 O SER A 102 12.800 8.104 -5.565 1.00 0.00 O ATOM 1464 CB SER A 102 13.807 5.425 -6.236 1.00 0.00 C ATOM 1465 OG SER A 102 14.507 4.225 -5.968 1.00 0.00 O ATOM 0 H SER A 102 11.542 4.308 -5.679 1.00 0.00 H new ATOM 0 HA SER A 102 13.462 5.927 -4.159 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.225 5.318 -7.151 1.00 0.00 H new ATOM 0 HB3 SER A 102 14.515 6.237 -6.402 1.00 0.00 H new ATOM 0 HG SER A 102 15.095 4.013 -6.723 1.00 0.00 H new ATOM 1471 N VAL A 103 10.810 7.071 -5.393 1.00 0.00 N ATOM 1472 CA VAL A 103 10.007 8.242 -5.730 1.00 0.00 C ATOM 1473 C VAL A 103 9.446 8.858 -4.450 1.00 0.00 C ATOM 1474 O VAL A 103 9.725 10.013 -4.137 1.00 0.00 O ATOM 1475 CB VAL A 103 8.908 7.862 -6.740 1.00 0.00 C ATOM 1476 CG1 VAL A 103 8.014 9.067 -7.060 1.00 0.00 C ATOM 1477 CG2 VAL A 103 9.539 7.357 -8.045 1.00 0.00 C ATOM 0 H VAL A 103 10.256 6.237 -5.197 1.00 0.00 H new ATOM 0 HA VAL A 103 10.627 8.997 -6.213 1.00 0.00 H new ATOM 0 HB VAL A 103 8.302 7.076 -6.289 1.00 0.00 H new ATOM 0 HG11 VAL A 103 7.247 8.771 -7.775 1.00 0.00 H new ATOM 0 HG12 VAL A 103 7.540 9.421 -6.145 1.00 0.00 H new ATOM 0 HG13 VAL A 103 8.620 9.866 -7.487 1.00 0.00 H new ATOM 0 HG21 VAL A 103 8.752 7.092 -8.751 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.163 8.141 -8.475 1.00 0.00 H new ATOM 0 HG23 VAL A 103 10.151 6.479 -7.837 1.00 0.00 H new ATOM 1487 N ILE A 104 8.634 8.099 -3.713 1.00 0.00 N ATOM 1488 CA ILE A 104 8.081 8.556 -2.459 1.00 0.00 C ATOM 1489 C ILE A 104 9.199 8.656 -1.403 1.00 0.00 C ATOM 1490 O ILE A 104 10.231 7.996 -1.521 1.00 0.00 O ATOM 1491 CB ILE A 104 6.850 7.694 -2.108 1.00 0.00 C ATOM 1492 CG1 ILE A 104 7.009 6.165 -2.085 1.00 0.00 C ATOM 1493 CG2 ILE A 104 5.720 7.970 -3.110 1.00 0.00 C ATOM 1494 CD1 ILE A 104 7.946 5.689 -0.988 1.00 0.00 C ATOM 0 H ILE A 104 8.348 7.156 -3.976 1.00 0.00 H new ATOM 0 HA ILE A 104 7.691 9.572 -2.515 1.00 0.00 H new ATOM 0 HB ILE A 104 6.654 7.998 -1.080 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.031 5.704 -1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 104 7.386 5.829 -3.051 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.853 7.359 -2.858 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.446 9.024 -3.068 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.058 7.723 -4.116 1.00 0.00 H new ATOM 0 HD11 ILE A 104 8.020 4.602 -1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 104 8.934 6.125 -1.139 1.00 0.00 H new ATOM 0 HD13 ILE A 104 7.557 5.998 -0.018 1.00 0.00 H new ATOM 1506 N SER A 105 9.063 9.541 -0.409 1.00 0.00 N ATOM 1507 CA SER A 105 10.072 9.770 0.617 1.00 0.00 C ATOM 1508 C SER A 105 9.368 10.338 1.832 1.00 0.00 C ATOM 1509 O SER A 105 8.156 10.472 1.805 1.00 0.00 O ATOM 1510 CB SER A 105 11.191 10.661 0.062 1.00 0.00 C ATOM 1511 OG SER A 105 12.121 9.816 -0.585 1.00 0.00 O ATOM 0 H SER A 105 8.234 10.125 -0.298 1.00 0.00 H new ATOM 0 HA SER A 105 10.566 8.848 0.922 1.00 0.00 H new ATOM 0 HB2 SER A 105 10.787 11.394 -0.637 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.673 11.218 0.866 1.00 0.00 H new ATOM 0 HG SER A 105 11.645 9.076 -1.017 1.00 0.00 H new ATOM 1517 N LEU A 106 10.089 10.665 2.901 1.00 0.00 N ATOM 1518 CA LEU A 106 9.528 11.268 4.103 1.00 0.00 C ATOM 1519 C LEU A 106 9.687 12.789 4.010 1.00 0.00 C ATOM 1520 O LEU A 106 9.679 13.486 5.024 1.00 0.00 O ATOM 1521 CB LEU A 106 10.234 10.690 5.345 1.00 0.00 C ATOM 1522 CG LEU A 106 9.769 9.268 5.710 1.00 0.00 C ATOM 1523 CD1 LEU A 106 10.399 8.149 4.877 1.00 0.00 C ATOM 1524 CD2 LEU A 106 10.124 8.986 7.174 1.00 0.00 C ATOM 0 H LEU A 106 11.096 10.515 2.956 1.00 0.00 H new ATOM 0 HA LEU A 106 8.466 11.039 4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.310 10.678 5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.057 11.351 6.194 1.00 0.00 H new ATOM 0 HG LEU A 106 8.697 9.259 5.513 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.010 7.186 5.208 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.155 8.297 3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.481 8.166 5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.798 7.981 7.440 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.203 9.065 7.309 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.624 9.711 7.816 1.00 0.00 H new ATOM 1566 N HIS A 110 6.612 14.211 -2.063 1.00 0.00 N ATOM 1567 CA HIS A 110 5.817 13.043 -1.755 1.00 0.00 C ATOM 1568 C HIS A 110 6.136 12.513 -0.352 1.00 0.00 C ATOM 1569 O HIS A 110 6.273 11.305 -0.176 1.00 0.00 O ATOM 1570 CB HIS A 110 6.074 11.991 -2.834 1.00 0.00 C ATOM 1571 CG HIS A 110 5.856 12.472 -4.247 1.00 0.00 C ATOM 1572 ND1 HIS A 110 4.794 13.224 -4.703 1.00 0.00 N ATOM 1573 CD2 HIS A 110 6.673 12.218 -5.317 1.00 0.00 C ATOM 1574 CE1 HIS A 110 4.971 13.410 -6.023 1.00 0.00 C ATOM 1575 NE2 HIS A 110 6.094 12.808 -6.444 1.00 0.00 N ATOM 0 HA HIS A 110 4.758 13.302 -1.751 1.00 0.00 H new ATOM 0 HB2 HIS A 110 7.100 11.636 -2.740 1.00 0.00 H new ATOM 0 HB3 HIS A 110 5.423 11.136 -2.651 1.00 0.00 H new ATOM 0 HD2 HIS A 110 7.598 11.662 -5.294 1.00 0.00 H new ATOM 0 HE1 HIS A 110 4.300 13.969 -6.659 1.00 0.00 H new ATOM 0 HE2 HIS A 110 6.454 12.785 -7.398 1.00 0.00 H new ATOM 1583 N SER A 111 6.187 13.406 0.644 1.00 0.00 N ATOM 1584 CA SER A 111 6.375 13.061 2.046 1.00 0.00 C ATOM 1585 C SER A 111 5.264 12.113 2.494 1.00 0.00 C ATOM 1586 O SER A 111 4.121 12.529 2.658 1.00 0.00 O ATOM 1587 CB SER A 111 6.371 14.307 2.934 1.00 0.00 C ATOM 1588 OG SER A 111 6.706 13.910 4.249 1.00 0.00 O ATOM 0 H SER A 111 6.096 14.410 0.487 1.00 0.00 H new ATOM 0 HA SER A 111 7.345 12.575 2.147 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.087 15.041 2.564 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.390 14.783 2.918 1.00 0.00 H new ATOM 0 HG SER A 111 6.711 14.695 4.836 1.00 0.00 H new ATOM 1594 N ILE A 112 5.588 10.840 2.690 1.00 0.00 N ATOM 1595 CA ILE A 112 4.657 9.844 3.175 1.00 0.00 C ATOM 1596 C ILE A 112 4.222 10.138 4.609 1.00 0.00 C ATOM 1597 O ILE A 112 3.154 9.699 5.020 1.00 0.00 O ATOM 1598 CB ILE A 112 5.245 8.435 3.015 1.00 0.00 C ATOM 1599 CG1 ILE A 112 6.452 8.206 3.938 1.00 0.00 C ATOM 1600 CG2 ILE A 112 5.612 8.174 1.548 1.00 0.00 C ATOM 1601 CD1 ILE A 112 6.952 6.771 3.831 1.00 0.00 C ATOM 0 H ILE A 112 6.522 10.471 2.512 1.00 0.00 H new ATOM 0 HA ILE A 112 3.754 9.889 2.566 1.00 0.00 H new ATOM 0 HB ILE A 112 4.479 7.720 3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.254 8.896 3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 112 6.173 8.422 4.969 1.00 0.00 H new ATOM 0 HG21 ILE A 112 6.028 7.171 1.450 1.00 0.00 H new ATOM 0 HG22 ILE A 112 4.719 8.259 0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.350 8.906 1.222 1.00 0.00 H new ATOM 0 HD11 ILE A 112 7.807 6.633 4.493 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.155 6.086 4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.253 6.566 2.803 1.00 0.00 H new ATOM 1613 N ILE A 113 5.036 10.878 5.367 1.00 0.00 N ATOM 1614 CA ILE A 113 4.689 11.293 6.712 1.00 0.00 C ATOM 1615 C ILE A 113 3.461 12.185 6.587 1.00 0.00 C ATOM 1616 O ILE A 113 3.527 13.244 5.967 1.00 0.00 O ATOM 1617 CB ILE A 113 5.869 12.032 7.370 1.00 0.00 C ATOM 1618 CG1 ILE A 113 7.073 11.106 7.592 1.00 0.00 C ATOM 1619 CG2 ILE A 113 5.460 12.702 8.691 1.00 0.00 C ATOM 1620 CD1 ILE A 113 6.771 9.887 8.471 1.00 0.00 C ATOM 0 H ILE A 113 5.952 11.202 5.057 1.00 0.00 H new ATOM 0 HA ILE A 113 4.470 10.438 7.351 1.00 0.00 H new ATOM 0 HB ILE A 113 6.169 12.814 6.673 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.436 10.761 6.624 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.879 11.679 8.049 1.00 0.00 H new ATOM 0 HG21 ILE A 113 6.321 13.212 9.122 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.667 13.426 8.502 1.00 0.00 H new ATOM 0 HG23 ILE A 113 5.101 11.944 9.387 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.673 9.284 8.579 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.438 10.221 9.454 1.00 0.00 H new ATOM 0 HD13 ILE A 113 5.988 9.288 8.006 1.00 0.00 H new ATOM 1632 N GLY A 114 2.344 11.731 7.143 1.00 0.00 N ATOM 1633 CA GLY A 114 1.077 12.410 6.994 1.00 0.00 C ATOM 1634 C GLY A 114 0.386 12.026 5.685 1.00 0.00 C ATOM 1635 O GLY A 114 -0.112 12.886 4.962 1.00 0.00 O ATOM 0 H GLY A 114 2.298 10.883 7.708 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.429 12.162 7.835 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.235 13.488 7.020 1.00 0.00 H new ATOM 1639 N ARG A 115 0.341 10.725 5.384 1.00 0.00 N ATOM 1640 CA ARG A 115 -0.584 10.145 4.419 1.00 0.00 C ATOM 1641 C ARG A 115 -1.384 9.036 5.099 1.00 0.00 C ATOM 1642 O ARG A 115 -0.965 8.532 6.144 1.00 0.00 O ATOM 1643 CB ARG A 115 0.185 9.534 3.247 1.00 0.00 C ATOM 1644 CG ARG A 115 1.085 10.518 2.501 1.00 0.00 C ATOM 1645 CD ARG A 115 0.305 11.479 1.596 1.00 0.00 C ATOM 1646 NE ARG A 115 1.047 12.731 1.367 1.00 0.00 N ATOM 1647 CZ ARG A 115 2.177 12.869 0.655 1.00 0.00 C ATOM 1648 NH1 ARG A 115 2.725 11.794 0.074 1.00 0.00 N ATOM 1649 NH2 ARG A 115 2.725 14.083 0.503 1.00 0.00 N ATOM 0 H ARG A 115 0.959 10.037 5.814 1.00 0.00 H new ATOM 0 HA ARG A 115 -1.246 10.929 4.051 1.00 0.00 H new ATOM 0 HB2 ARG A 115 0.796 8.711 3.619 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.529 9.108 2.542 1.00 0.00 H new ATOM 0 HG2 ARG A 115 1.660 11.096 3.225 1.00 0.00 H new ATOM 0 HG3 ARG A 115 1.801 9.960 1.897 1.00 0.00 H new ATOM 0 HD2 ARG A 115 0.102 10.996 0.640 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -0.660 11.705 2.050 1.00 0.00 H new ATOM 0 HE ARG A 115 0.665 13.576 1.791 1.00 0.00 H new ATOM 0 HH11 ARG A 115 2.284 10.880 0.174 1.00 0.00 H new ATOM 0 HH12 ARG A 115 3.583 11.890 -0.469 1.00 0.00 H new ATOM 0 HH21 ARG A 115 2.284 14.899 0.928 1.00 0.00 H new ATOM 0 HH22 ARG A 115 3.583 14.191 -0.037 1.00 0.00 H new ATOM 1663 N THR A 116 -2.487 8.617 4.467 1.00 0.00 N ATOM 1664 CA THR A 116 -3.277 7.474 4.875 1.00 0.00 C ATOM 1665 C THR A 116 -2.947 6.266 3.991 1.00 0.00 C ATOM 1666 O THR A 116 -3.195 6.273 2.784 1.00 0.00 O ATOM 1667 CB THR A 116 -4.768 7.837 4.937 1.00 0.00 C ATOM 1668 OG1 THR A 116 -5.013 8.505 6.153 1.00 0.00 O ATOM 1669 CG2 THR A 116 -5.696 6.627 4.930 1.00 0.00 C ATOM 0 H THR A 116 -2.855 9.083 3.638 1.00 0.00 H new ATOM 0 HA THR A 116 -3.016 7.179 5.891 1.00 0.00 H new ATOM 0 HB THR A 116 -4.972 8.439 4.051 1.00 0.00 H new ATOM 0 HG1 THR A 116 -5.961 8.746 6.209 1.00 0.00 H new ATOM 0 HG21 THR A 116 -6.732 6.963 4.976 1.00 0.00 H new ATOM 0 HG22 THR A 116 -5.540 6.054 4.016 1.00 0.00 H new ATOM 0 HG23 THR A 116 -5.480 5.998 5.794 1.00 0.00 H new ATOM 1677 N LEU A 117 -2.383 5.221 4.600 1.00 0.00 N ATOM 1678 CA LEU A 117 -2.062 3.961 3.948 1.00 0.00 C ATOM 1679 C LEU A 117 -3.256 3.032 4.119 1.00 0.00 C ATOM 1680 O LEU A 117 -3.816 2.969 5.214 1.00 0.00 O ATOM 1681 CB LEU A 117 -0.798 3.373 4.584 1.00 0.00 C ATOM 1682 CG LEU A 117 -0.189 2.239 3.745 1.00 0.00 C ATOM 1683 CD1 LEU A 117 1.328 2.255 3.951 1.00 0.00 C ATOM 1684 CD2 LEU A 117 -0.713 0.841 4.094 1.00 0.00 C ATOM 0 H LEU A 117 -2.132 5.234 5.589 1.00 0.00 H new ATOM 0 HA LEU A 117 -1.866 4.100 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -0.058 4.163 4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.037 2.996 5.579 1.00 0.00 H new ATOM 0 HG LEU A 117 -0.477 2.425 2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.783 1.457 3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 117 1.729 3.216 3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.553 2.103 5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.231 0.102 3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.490 0.619 5.138 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.791 0.807 3.938 1.00 0.00 H new ATOM 1696 N VAL A 118 -3.677 2.343 3.055 1.00 0.00 N ATOM 1697 CA VAL A 118 -4.893 1.540 3.097 1.00 0.00 C ATOM 1698 C VAL A 118 -4.717 0.263 2.270 1.00 0.00 C ATOM 1699 O VAL A 118 -4.000 0.277 1.264 1.00 0.00 O ATOM 1700 CB VAL A 118 -6.069 2.388 2.588 1.00 0.00 C ATOM 1701 CG1 VAL A 118 -7.413 1.749 2.900 1.00 0.00 C ATOM 1702 CG2 VAL A 118 -6.107 3.812 3.151 1.00 0.00 C ATOM 0 H VAL A 118 -3.192 2.328 2.158 1.00 0.00 H new ATOM 0 HA VAL A 118 -5.102 1.234 4.122 1.00 0.00 H new ATOM 0 HB VAL A 118 -5.898 2.438 1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.214 2.384 2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -7.470 0.770 2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -7.520 1.634 3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -6.967 4.342 2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -6.189 3.772 4.237 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.192 4.337 2.875 1.00 0.00 H new ATOM 1712 N VAL A 119 -5.372 -0.826 2.705 1.00 0.00 N ATOM 1713 CA VAL A 119 -5.341 -2.141 2.080 1.00 0.00 C ATOM 1714 C VAL A 119 -6.755 -2.564 1.636 1.00 0.00 C ATOM 1715 O VAL A 119 -7.734 -2.214 2.297 1.00 0.00 O ATOM 1716 CB VAL A 119 -4.697 -3.135 3.063 1.00 0.00 C ATOM 1717 CG1 VAL A 119 -5.645 -3.536 4.197 1.00 0.00 C ATOM 1718 CG2 VAL A 119 -4.240 -4.396 2.338 1.00 0.00 C ATOM 0 H VAL A 119 -5.960 -0.804 3.538 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.736 -2.121 1.173 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.840 -2.620 3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -5.141 -4.238 4.861 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -5.935 -2.649 4.760 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.534 -4.007 3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.788 -5.083 3.053 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -5.098 -4.875 1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.507 -4.132 1.576 1.00 0.00 H new ATOM 1728 N HIS A 120 -6.870 -3.311 0.528 1.00 0.00 N ATOM 1729 CA HIS A 120 -8.132 -3.650 -0.131 1.00 0.00 C ATOM 1730 C HIS A 120 -8.510 -5.109 0.053 1.00 0.00 C ATOM 1731 O HIS A 120 -7.662 -5.962 0.317 1.00 0.00 O ATOM 1732 CB HIS A 120 -8.097 -3.304 -1.626 1.00 0.00 C ATOM 1733 CG HIS A 120 -8.113 -1.823 -1.821 1.00 0.00 C ATOM 1734 ND1 HIS A 120 -9.216 -1.025 -1.951 1.00 0.00 N ATOM 1735 CD2 HIS A 120 -6.991 -1.068 -1.709 1.00 0.00 C ATOM 1736 CE1 HIS A 120 -8.786 0.243 -1.961 1.00 0.00 C ATOM 1737 NE2 HIS A 120 -7.444 0.240 -1.800 1.00 0.00 N ATOM 0 H HIS A 120 -6.058 -3.707 0.054 1.00 0.00 H new ATOM 0 HA HIS A 120 -8.897 -3.044 0.353 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -7.202 -3.727 -2.082 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.954 -3.752 -2.129 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -10.184 -1.337 -2.026 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -5.974 -1.409 -1.578 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -9.406 1.119 -2.078 1.00 0.00 H new ATOM 1745 N GLU A 121 -9.804 -5.394 -0.107 1.00 0.00 N ATOM 1746 CA GLU A 121 -10.288 -6.753 -0.009 1.00 0.00 C ATOM 1747 C GLU A 121 -9.647 -7.621 -1.081 1.00 0.00 C ATOM 1748 O GLU A 121 -8.970 -8.588 -0.758 1.00 0.00 O ATOM 1749 CB GLU A 121 -11.818 -6.814 -0.121 1.00 0.00 C ATOM 1750 CG GLU A 121 -12.291 -8.257 0.109 1.00 0.00 C ATOM 1751 CD GLU A 121 -13.798 -8.386 -0.003 1.00 0.00 C ATOM 1752 OE1 GLU A 121 -14.495 -7.409 0.334 1.00 0.00 O ATOM 1753 OE2 GLU A 121 -14.209 -9.468 -0.476 1.00 0.00 O ATOM 0 H GLU A 121 -10.524 -4.699 -0.304 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.009 -7.136 0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.274 -6.149 0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -12.135 -6.468 -1.105 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -11.816 -8.915 -0.619 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.971 -8.590 1.096 1.00 0.00 H new ATOM 1760 N LYS A 122 -9.889 -7.314 -2.351 1.00 0.00 N ATOM 1761 CA LYS A 122 -9.369 -8.147 -3.428 1.00 0.00 C ATOM 1762 C LYS A 122 -8.000 -7.628 -3.888 1.00 0.00 C ATOM 1763 O LYS A 122 -7.443 -6.675 -3.328 1.00 0.00 O ATOM 1764 CB LYS A 122 -10.385 -8.217 -4.576 1.00 0.00 C ATOM 1765 CG LYS A 122 -11.798 -8.655 -4.149 1.00 0.00 C ATOM 1766 CD LYS A 122 -11.893 -10.180 -3.978 1.00 0.00 C ATOM 1767 CE LYS A 122 -13.323 -10.634 -3.629 1.00 0.00 C ATOM 1768 NZ LYS A 122 -13.449 -11.133 -2.244 1.00 0.00 N ATOM 0 H LYS A 122 -10.433 -6.507 -2.656 1.00 0.00 H new ATOM 0 HA LYS A 122 -9.220 -9.164 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -10.449 -7.237 -5.049 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -10.015 -8.911 -5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -12.063 -8.166 -3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -12.522 -8.327 -4.895 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -11.572 -10.669 -4.898 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -11.209 -10.500 -3.192 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -14.008 -9.799 -3.772 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -13.628 -11.419 -4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -14.031 -11.995 -2.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -12.505 -11.349 -1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -13.900 -10.406 -1.653 1.00 0.00 H new ATOM 1782 N ALA A 123 -7.470 -8.269 -4.929 1.00 0.00 N ATOM 1783 CA ALA A 123 -6.294 -7.814 -5.641 1.00 0.00 C ATOM 1784 C ALA A 123 -6.639 -6.578 -6.465 1.00 0.00 C ATOM 1785 O ALA A 123 -7.762 -6.444 -6.946 1.00 0.00 O ATOM 1786 CB ALA A 123 -5.823 -8.920 -6.585 1.00 0.00 C ATOM 0 H ALA A 123 -7.859 -9.135 -5.302 1.00 0.00 H new ATOM 0 HA ALA A 123 -5.509 -7.570 -4.925 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -4.937 -8.585 -7.125 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -5.580 -9.812 -6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -6.615 -9.153 -7.296 1.00 0.00 H new ATOM 1792 N ASP A 124 -5.654 -5.707 -6.657 1.00 0.00 N ATOM 1793 CA ASP A 124 -5.734 -4.637 -7.638 1.00 0.00 C ATOM 1794 C ASP A 124 -5.538 -5.207 -9.042 1.00 0.00 C ATOM 1795 O ASP A 124 -4.504 -5.811 -9.313 1.00 0.00 O ATOM 1796 CB ASP A 124 -4.616 -3.635 -7.379 1.00 0.00 C ATOM 1797 CG ASP A 124 -4.803 -2.875 -6.099 1.00 0.00 C ATOM 1798 OD1 ASP A 124 -5.948 -2.531 -5.743 1.00 0.00 O ATOM 1799 OD2 ASP A 124 -3.751 -2.540 -5.526 1.00 0.00 O ATOM 0 H ASP A 124 -4.778 -5.725 -6.135 1.00 0.00 H new ATOM 0 HA ASP A 124 -6.709 -4.157 -7.559 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -3.662 -4.162 -7.348 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -4.565 -2.932 -8.210 1.00 0.00 H new ATOM 1804 N ASP A 125 -6.447 -4.910 -9.971 1.00 0.00 N ATOM 1805 CA ASP A 125 -6.309 -5.255 -11.384 1.00 0.00 C ATOM 1806 C ASP A 125 -5.310 -4.364 -12.122 1.00 0.00 C ATOM 1807 O ASP A 125 -5.246 -4.412 -13.347 1.00 0.00 O ATOM 1808 CB ASP A 125 -7.679 -5.175 -12.083 1.00 0.00 C ATOM 1809 CG ASP A 125 -8.617 -6.326 -11.762 1.00 0.00 C ATOM 1810 OD1 ASP A 125 -8.118 -7.466 -11.658 1.00 0.00 O ATOM 1811 OD2 ASP A 125 -9.831 -6.040 -11.682 1.00 0.00 O ATOM 0 H ASP A 125 -7.313 -4.415 -9.758 1.00 0.00 H new ATOM 0 HA ASP A 125 -5.923 -6.274 -11.420 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -8.162 -4.239 -11.802 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -7.521 -5.141 -13.161 1.00 0.00 H new ATOM 1816 N LEU A 126 -4.546 -3.530 -11.415 1.00 0.00 N ATOM 1817 CA LEU A 126 -3.553 -2.637 -11.992 1.00 0.00 C ATOM 1818 C LEU A 126 -4.077 -1.929 -13.251 1.00 0.00 C ATOM 1819 O LEU A 126 -3.394 -1.816 -14.268 1.00 0.00 O ATOM 1820 CB LEU A 126 -2.258 -3.413 -12.250 1.00 0.00 C ATOM 1821 CG LEU A 126 -1.855 -4.345 -11.098 1.00 0.00 C ATOM 1822 CD1 LEU A 126 -0.535 -5.036 -11.424 1.00 0.00 C ATOM 1823 CD2 LEU A 126 -1.766 -3.646 -9.739 1.00 0.00 C ATOM 0 H LEU A 126 -4.606 -3.459 -10.399 1.00 0.00 H new ATOM 0 HA LEU A 126 -3.338 -1.841 -11.279 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -2.374 -4.003 -13.159 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.450 -2.704 -12.431 1.00 0.00 H new ATOM 0 HG LEU A 126 -2.653 -5.082 -11.006 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -0.257 -5.695 -10.602 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -0.647 -5.622 -12.337 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.243 -4.286 -11.567 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.476 -4.369 -8.976 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -1.022 -2.851 -9.787 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -2.736 -3.220 -9.485 1.00 0.00 H new ATOM 1835 N GLY A 127 -5.328 -1.471 -13.180 1.00 0.00 N ATOM 1836 CA GLY A 127 -5.970 -0.696 -14.235 1.00 0.00 C ATOM 1837 C GLY A 127 -6.368 -1.526 -15.460 1.00 0.00 C ATOM 1838 O GLY A 127 -7.040 -1.011 -16.356 1.00 0.00 O ATOM 0 H GLY A 127 -5.931 -1.633 -12.373 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -6.860 -0.215 -13.829 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -5.295 0.099 -14.551 1.00 0.00 H new ATOM 1842 N LYS A 128 -5.971 -2.803 -15.516 1.00 0.00 N ATOM 1843 CA LYS A 128 -6.090 -3.652 -16.692 1.00 0.00 C ATOM 1844 C LYS A 128 -7.542 -3.761 -17.164 1.00 0.00 C ATOM 1845 O LYS A 128 -7.785 -3.924 -18.357 1.00 0.00 O ATOM 1846 CB LYS A 128 -5.514 -5.047 -16.395 1.00 0.00 C ATOM 1847 CG LYS A 128 -4.032 -5.076 -15.968 1.00 0.00 C ATOM 1848 CD LYS A 128 -3.056 -5.451 -17.095 1.00 0.00 C ATOM 1849 CE LYS A 128 -2.911 -4.375 -18.180 1.00 0.00 C ATOM 1850 NZ LYS A 128 -2.312 -3.128 -17.654 1.00 0.00 N ATOM 0 H LYS A 128 -5.548 -3.280 -14.720 1.00 0.00 H new ATOM 0 HA LYS A 128 -5.517 -3.193 -17.498 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -6.110 -5.507 -15.607 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -5.630 -5.666 -17.285 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -3.759 -4.095 -15.578 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -3.915 -5.788 -15.151 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -2.076 -5.650 -16.662 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -3.393 -6.378 -17.560 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -2.292 -4.760 -18.990 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -3.891 -4.155 -18.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -1.894 -2.586 -18.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -3.049 -2.557 -17.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -1.572 -3.363 -16.962 1.00 0.00 H new ATOM 1864 N GLY A 129 -8.501 -3.657 -16.239 1.00 0.00 N ATOM 1865 CA GLY A 129 -9.922 -3.718 -16.551 1.00 0.00 C ATOM 1866 C GLY A 129 -10.354 -2.668 -17.578 1.00 0.00 C ATOM 1867 O GLY A 129 -11.309 -2.895 -18.314 1.00 0.00 O ATOM 0 H GLY A 129 -8.306 -3.527 -15.246 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -10.163 -4.711 -16.931 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -10.496 -3.580 -15.635 1.00 0.00 H new ATOM 1871 N GLY A 130 -9.673 -1.516 -17.637 1.00 0.00 N ATOM 1872 CA GLY A 130 -9.968 -0.511 -18.650 1.00 0.00 C ATOM 1873 C GLY A 130 -11.333 0.142 -18.430 1.00 0.00 C ATOM 1874 O GLY A 130 -12.140 0.251 -19.349 1.00 0.00 O ATOM 0 H GLY A 130 -8.920 -1.264 -16.997 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -9.193 0.256 -18.636 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -9.942 -0.973 -19.637 1.00 0.00 H new ATOM 1878 N ASN A 131 -11.570 0.627 -17.209 1.00 0.00 N ATOM 1879 CA ASN A 131 -12.724 1.439 -16.839 1.00 0.00 C ATOM 1880 C ASN A 131 -12.308 2.388 -15.734 1.00 0.00 C ATOM 1881 O ASN A 131 -11.379 2.029 -15.015 1.00 0.00 O ATOM 1882 CB ASN A 131 -13.962 0.604 -16.488 1.00 0.00 C ATOM 1883 CG ASN A 131 -13.622 -0.542 -15.559 1.00 0.00 C ATOM 1884 OD1 ASN A 131 -14.088 -1.660 -15.729 1.00 0.00 O ATOM 1885 ND2 ASN A 131 -12.743 -0.295 -14.599 1.00 0.00 N ATOM 0 H ASN A 131 -10.939 0.457 -16.425 1.00 0.00 H new ATOM 0 HA ASN A 131 -13.041 2.021 -17.704 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -14.710 1.243 -16.019 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -14.407 0.211 -17.402 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -12.439 -1.047 -13.980 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -12.370 0.647 -14.479 1.00 0.00 H new ATOM 1892 N GLU A 132 -12.985 3.531 -15.553 1.00 0.00 N ATOM 1893 CA GLU A 132 -12.573 4.505 -14.544 1.00 0.00 C ATOM 1894 C GLU A 132 -12.316 3.818 -13.202 1.00 0.00 C ATOM 1895 O GLU A 132 -11.309 4.096 -12.562 1.00 0.00 O ATOM 1896 CB GLU A 132 -13.567 5.666 -14.389 1.00 0.00 C ATOM 1897 CG GLU A 132 -12.819 6.900 -13.852 1.00 0.00 C ATOM 1898 CD GLU A 132 -13.723 7.827 -13.057 1.00 0.00 C ATOM 1899 OE1 GLU A 132 -13.812 7.602 -11.829 1.00 0.00 O ATOM 1900 OE2 GLU A 132 -14.291 8.751 -13.670 1.00 0.00 O ATOM 0 H GLU A 132 -13.811 3.798 -16.088 1.00 0.00 H new ATOM 0 HA GLU A 132 -11.641 4.946 -14.897 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -14.030 5.895 -15.349 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -14.369 5.386 -13.706 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -11.993 6.574 -13.220 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -12.384 7.449 -14.687 1.00 0.00 H new ATOM 1907 N GLN A 133 -13.195 2.884 -12.818 1.00 0.00 N ATOM 1908 CA GLN A 133 -13.072 2.118 -11.587 1.00 0.00 C ATOM 1909 C GLN A 133 -11.656 1.535 -11.447 1.00 0.00 C ATOM 1910 O GLN A 133 -10.862 2.077 -10.695 1.00 0.00 O ATOM 1911 CB GLN A 133 -14.197 1.065 -11.482 1.00 0.00 C ATOM 1912 CG GLN A 133 -14.934 1.103 -10.136 1.00 0.00 C ATOM 1913 CD GLN A 133 -14.126 0.531 -8.979 1.00 0.00 C ATOM 1914 OE1 GLN A 133 -14.547 -0.409 -8.314 1.00 0.00 O ATOM 1915 NE2 GLN A 133 -12.953 1.091 -8.717 1.00 0.00 N ATOM 0 H GLN A 133 -14.020 2.641 -13.366 1.00 0.00 H new ATOM 0 HA GLN A 133 -13.206 2.782 -10.733 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -14.914 1.227 -12.287 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -13.772 0.072 -11.629 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -15.200 2.135 -9.907 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -15.867 0.546 -10.227 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -12.623 1.872 -9.284 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -12.381 0.741 -7.949 1.00 0.00 H new ATOM 1924 N SER A 134 -11.330 0.457 -12.157 1.00 0.00 N ATOM 1925 CA SER A 134 -10.002 -0.142 -12.264 1.00 0.00 C ATOM 1926 C SER A 134 -8.928 0.923 -12.466 1.00 0.00 C ATOM 1927 O SER A 134 -7.969 0.967 -11.698 1.00 0.00 O ATOM 1928 CB SER A 134 -9.944 -1.194 -13.389 1.00 0.00 C ATOM 1929 OG SER A 134 -8.754 -1.958 -13.326 1.00 0.00 O ATOM 0 H SER A 134 -12.025 -0.050 -12.704 1.00 0.00 H new ATOM 0 HA SER A 134 -9.802 -0.651 -11.321 1.00 0.00 H new ATOM 0 HB2 SER A 134 -10.807 -1.856 -13.314 1.00 0.00 H new ATOM 0 HB3 SER A 134 -10.007 -0.697 -14.357 1.00 0.00 H new ATOM 0 HG SER A 134 -8.975 -2.912 -13.365 1.00 0.00 H new ATOM 1935 N THR A 135 -9.084 1.801 -13.461 1.00 0.00 N ATOM 1936 CA THR A 135 -8.047 2.754 -13.822 1.00 0.00 C ATOM 1937 C THR A 135 -7.927 3.878 -12.793 1.00 0.00 C ATOM 1938 O THR A 135 -7.098 4.768 -12.965 1.00 0.00 O ATOM 1939 CB THR A 135 -8.242 3.278 -15.252 1.00 0.00 C ATOM 1940 OG1 THR A 135 -9.439 4.005 -15.397 1.00 0.00 O ATOM 1941 CG2 THR A 135 -8.221 2.146 -16.284 1.00 0.00 C ATOM 0 H THR A 135 -9.928 1.866 -14.031 1.00 0.00 H new ATOM 0 HA THR A 135 -7.093 2.227 -13.810 1.00 0.00 H new ATOM 0 HB THR A 135 -7.401 3.947 -15.435 1.00 0.00 H new ATOM 0 HG1 THR A 135 -10.203 3.417 -15.219 1.00 0.00 H new ATOM 0 HG21 THR A 135 -8.362 2.561 -17.282 1.00 0.00 H new ATOM 0 HG22 THR A 135 -7.262 1.630 -16.238 1.00 0.00 H new ATOM 0 HG23 THR A 135 -9.024 1.441 -16.067 1.00 0.00 H new ATOM 1949 N LYS A 136 -8.715 3.840 -11.717 1.00 0.00 N ATOM 1950 CA LYS A 136 -8.562 4.680 -10.556 1.00 0.00 C ATOM 1951 C LYS A 136 -8.213 3.829 -9.333 1.00 0.00 C ATOM 1952 O LYS A 136 -7.493 4.341 -8.480 1.00 0.00 O ATOM 1953 CB LYS A 136 -9.861 5.458 -10.347 1.00 0.00 C ATOM 1954 CG LYS A 136 -9.771 6.462 -9.197 1.00 0.00 C ATOM 1955 CD LYS A 136 -10.952 7.444 -9.237 1.00 0.00 C ATOM 1956 CE LYS A 136 -12.315 6.735 -9.102 1.00 0.00 C ATOM 1957 NZ LYS A 136 -13.450 7.657 -9.284 1.00 0.00 N ATOM 0 H LYS A 136 -9.502 3.196 -11.640 1.00 0.00 H new ATOM 0 HA LYS A 136 -7.745 5.387 -10.702 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -10.115 5.987 -11.266 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -10.671 4.757 -10.149 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -9.765 5.932 -8.245 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -8.832 7.012 -9.261 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -10.843 8.171 -8.432 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -10.927 8.000 -10.174 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -12.379 5.935 -9.839 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -12.383 6.269 -8.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -14.224 7.385 -8.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -13.147 8.628 -9.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -13.781 7.610 -10.269 1.00 0.00 H new ATOM 1971 N THR A 137 -8.711 2.583 -9.207 1.00 0.00 N ATOM 1972 CA THR A 137 -8.564 1.864 -7.930 1.00 0.00 C ATOM 1973 C THR A 137 -7.867 0.517 -8.052 1.00 0.00 C ATOM 1974 O THR A 137 -7.239 0.071 -7.096 1.00 0.00 O ATOM 1975 CB THR A 137 -9.887 1.706 -7.161 1.00 0.00 C ATOM 1976 OG1 THR A 137 -10.599 0.551 -7.563 1.00 0.00 O ATOM 1977 CG2 THR A 137 -10.780 2.949 -7.235 1.00 0.00 C ATOM 0 H THR A 137 -9.199 2.072 -9.942 1.00 0.00 H new ATOM 0 HA THR A 137 -7.911 2.514 -7.348 1.00 0.00 H new ATOM 0 HB THR A 137 -9.603 1.583 -6.116 1.00 0.00 H new ATOM 0 HG1 THR A 137 -10.995 0.121 -6.777 1.00 0.00 H new ATOM 0 HG21 THR A 137 -11.697 2.772 -6.673 1.00 0.00 H new ATOM 0 HG22 THR A 137 -10.252 3.802 -6.809 1.00 0.00 H new ATOM 0 HG23 THR A 137 -11.027 3.158 -8.276 1.00 0.00 H new ATOM 1985 N GLY A 138 -8.043 -0.159 -9.183 1.00 0.00 N ATOM 1986 CA GLY A 138 -7.720 -1.562 -9.344 1.00 0.00 C ATOM 1987 C GLY A 138 -8.977 -2.418 -9.247 1.00 0.00 C ATOM 1988 O GLY A 138 -8.871 -3.630 -9.360 1.00 0.00 O ATOM 0 H GLY A 138 -8.423 0.268 -10.028 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.239 -1.721 -10.309 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -7.007 -1.866 -8.578 1.00 0.00 H new ATOM 1992 N ASN A 139 -10.164 -1.826 -9.040 1.00 0.00 N ATOM 1993 CA ASN A 139 -11.432 -2.550 -9.083 1.00 0.00 C ATOM 1994 C ASN A 139 -11.543 -3.597 -7.968 1.00 0.00 C ATOM 1995 O ASN A 139 -12.452 -4.422 -7.981 1.00 0.00 O ATOM 1996 CB ASN A 139 -11.633 -3.193 -10.464 1.00 0.00 C ATOM 1997 CG ASN A 139 -13.092 -3.220 -10.898 1.00 0.00 C ATOM 1998 OD1 ASN A 139 -13.466 -2.507 -11.826 1.00 0.00 O ATOM 1999 ND2 ASN A 139 -13.925 -4.019 -10.239 1.00 0.00 N ATOM 0 H ASN A 139 -10.265 -0.831 -8.838 1.00 0.00 H new ATOM 0 HA ASN A 139 -12.228 -1.825 -8.913 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -11.049 -2.644 -11.203 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -11.246 -4.212 -10.445 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -14.911 -4.054 -10.499 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -13.579 -4.597 -9.473 1.00 0.00 H new ATOM 2006 N ALA A 140 -10.618 -3.564 -7.002 1.00 0.00 N ATOM 2007 CA ALA A 140 -10.483 -4.597 -5.995 1.00 0.00 C ATOM 2008 C ALA A 140 -11.760 -4.689 -5.169 1.00 0.00 C ATOM 2009 O ALA A 140 -12.318 -5.761 -4.956 1.00 0.00 O ATOM 2010 CB ALA A 140 -9.285 -4.260 -5.102 1.00 0.00 C ATOM 0 H ALA A 140 -9.940 -2.808 -6.905 1.00 0.00 H new ATOM 0 HA ALA A 140 -10.318 -5.563 -6.471 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -9.172 -5.030 -4.339 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -8.380 -4.215 -5.709 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -9.449 -3.295 -4.622 1.00 0.00 H new ATOM 2016 N GLY A 141 -12.204 -3.537 -4.673 1.00 0.00 N ATOM 2017 CA GLY A 141 -13.328 -3.446 -3.769 1.00 0.00 C ATOM 2018 C GLY A 141 -12.928 -2.609 -2.568 1.00 0.00 C ATOM 2019 O GLY A 141 -11.952 -1.846 -2.607 1.00 0.00 O ATOM 0 H GLY A 141 -11.783 -2.635 -4.895 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -14.182 -2.996 -4.274 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -13.635 -4.442 -3.449 1.00 0.00 H new ATOM 2023 N SER A 142 -13.711 -2.742 -1.497 1.00 0.00 N ATOM 2024 CA SER A 142 -13.534 -1.903 -0.336 1.00 0.00 C ATOM 2025 C SER A 142 -12.237 -2.202 0.399 1.00 0.00 C ATOM 2026 O SER A 142 -11.456 -3.087 0.040 1.00 0.00 O ATOM 2027 CB SER A 142 -14.736 -1.975 0.605 1.00 0.00 C ATOM 2028 OG SER A 142 -14.760 -0.775 1.370 1.00 0.00 O ATOM 0 H SER A 142 -14.467 -3.422 -1.420 1.00 0.00 H new ATOM 0 HA SER A 142 -13.464 -0.879 -0.702 1.00 0.00 H new ATOM 0 HB2 SER A 142 -15.660 -2.085 0.037 1.00 0.00 H new ATOM 0 HB3 SER A 142 -14.658 -2.844 1.259 1.00 0.00 H new ATOM 0 HG SER A 142 -15.524 -0.793 1.983 1.00 0.00 H new ATOM 2034 N ARG A 143 -12.022 -1.386 1.423 1.00 0.00 N ATOM 2035 CA ARG A 143 -10.798 -1.314 2.175 1.00 0.00 C ATOM 2036 C ARG A 143 -10.938 -2.150 3.442 1.00 0.00 C ATOM 2037 O ARG A 143 -11.724 -1.797 4.317 1.00 0.00 O ATOM 2038 CB ARG A 143 -10.450 0.145 2.485 1.00 0.00 C ATOM 2039 CG ARG A 143 -10.819 1.128 1.357 1.00 0.00 C ATOM 2040 CD ARG A 143 -12.192 1.780 1.613 1.00 0.00 C ATOM 2041 NE ARG A 143 -13.160 1.546 0.528 1.00 0.00 N ATOM 2042 CZ ARG A 143 -13.146 2.178 -0.657 1.00 0.00 C ATOM 2043 NH1 ARG A 143 -12.108 2.959 -0.980 1.00 0.00 N ATOM 2044 NH2 ARG A 143 -14.162 2.029 -1.513 1.00 0.00 N ATOM 0 H ARG A 143 -12.731 -0.734 1.758 1.00 0.00 H new ATOM 0 HA ARG A 143 -9.975 -1.721 1.588 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -10.965 0.445 3.398 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -9.381 0.219 2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -10.055 1.901 1.281 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -10.836 0.601 0.403 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -12.602 1.393 2.546 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -12.058 2.854 1.745 1.00 0.00 H new ATOM 0 HE ARG A 143 -13.893 0.855 0.688 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -11.332 3.072 -0.327 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -12.093 3.441 -1.879 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -14.953 1.433 -1.267 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -14.147 2.511 -2.412 1.00 0.00 H new ATOM 2058 N LEU A 144 -10.188 -3.251 3.544 1.00 0.00 N ATOM 2059 CA LEU A 144 -10.194 -4.076 4.751 1.00 0.00 C ATOM 2060 C LEU A 144 -9.618 -3.293 5.936 1.00 0.00 C ATOM 2061 O LEU A 144 -10.030 -3.532 7.066 1.00 0.00 O ATOM 2062 CB LEU A 144 -9.429 -5.402 4.555 1.00 0.00 C ATOM 2063 CG LEU A 144 -10.215 -6.624 4.020 1.00 0.00 C ATOM 2064 CD1 LEU A 144 -10.733 -7.482 5.180 1.00 0.00 C ATOM 2065 CD2 LEU A 144 -11.424 -6.216 3.176 1.00 0.00 C ATOM 0 H LEU A 144 -9.571 -3.589 2.806 1.00 0.00 H new ATOM 0 HA LEU A 144 -11.232 -4.332 4.964 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -8.602 -5.212 3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -8.992 -5.680 5.514 1.00 0.00 H new ATOM 0 HG LEU A 144 -9.515 -7.184 3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -11.283 -8.336 4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -9.891 -7.837 5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -11.394 -6.884 5.808 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -11.941 -7.109 2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -12.105 -5.617 3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -11.089 -5.631 2.320 1.00 0.00 H new ATOM 2077 N ALA A 145 -8.664 -2.380 5.710 1.00 0.00 N ATOM 2078 CA ALA A 145 -8.110 -1.564 6.785 1.00 0.00 C ATOM 2079 C ALA A 145 -7.434 -0.310 6.238 1.00 0.00 C ATOM 2080 O ALA A 145 -6.932 -0.322 5.112 1.00 0.00 O ATOM 2081 CB ALA A 145 -7.135 -2.388 7.632 1.00 0.00 C ATOM 0 H ALA A 145 -8.264 -2.192 4.791 1.00 0.00 H new ATOM 0 HA ALA A 145 -8.933 -1.240 7.423 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -6.730 -1.765 8.430 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -7.660 -3.239 8.067 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -6.320 -2.747 7.003 1.00 0.00 H new ATOM 2087 N CYS A 146 -7.428 0.752 7.053 1.00 0.00 N ATOM 2088 CA CYS A 146 -6.812 2.049 6.816 1.00 0.00 C ATOM 2089 C CYS A 146 -5.879 2.341 7.991 1.00 0.00 C ATOM 2090 O CYS A 146 -6.059 1.808 9.082 1.00 0.00 O ATOM 2091 CB CYS A 146 -7.868 3.167 6.680 1.00 0.00 C ATOM 2092 SG CYS A 146 -9.272 3.135 7.831 1.00 0.00 S ATOM 0 H CYS A 146 -7.890 0.717 7.962 1.00 0.00 H new ATOM 0 HA CYS A 146 -6.259 2.022 5.877 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -7.361 4.125 6.794 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -8.264 3.135 5.665 1.00 0.00 H new ATOM 0 HG CYS A 146 -10.059 4.139 7.583 1.00 0.00 H new ATOM 2097 N GLY A 147 -4.859 3.166 7.771 1.00 0.00 N ATOM 2098 CA GLY A 147 -3.936 3.614 8.803 1.00 0.00 C ATOM 2099 C GLY A 147 -3.263 4.908 8.365 1.00 0.00 C ATOM 2100 O GLY A 147 -3.335 5.266 7.192 1.00 0.00 O ATOM 0 H GLY A 147 -4.649 3.549 6.849 1.00 0.00 H new ATOM 0 HA2 GLY A 147 -4.471 3.770 9.740 1.00 0.00 H new ATOM 0 HA3 GLY A 147 -3.184 2.847 8.990 1.00 0.00 H new ATOM 2104 N VAL A 148 -2.614 5.609 9.299 1.00 0.00 N ATOM 2105 CA VAL A 148 -1.931 6.875 9.056 1.00 0.00 C ATOM 2106 C VAL A 148 -0.428 6.641 9.198 1.00 0.00 C ATOM 2107 O VAL A 148 -0.001 5.976 10.140 1.00 0.00 O ATOM 2108 CB VAL A 148 -2.448 7.941 10.038 1.00 0.00 C ATOM 2109 CG1 VAL A 148 -1.630 9.237 9.957 1.00 0.00 C ATOM 2110 CG2 VAL A 148 -3.914 8.276 9.734 1.00 0.00 C ATOM 0 H VAL A 148 -2.550 5.300 10.269 1.00 0.00 H new ATOM 0 HA VAL A 148 -2.132 7.243 8.050 1.00 0.00 H new ATOM 0 HB VAL A 148 -2.350 7.524 11.040 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -2.028 9.963 10.666 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -0.589 9.026 10.200 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -1.692 9.644 8.948 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -4.268 9.031 10.436 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -3.996 8.659 8.717 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -4.521 7.376 9.833 1.00 0.00 H new ATOM 2120 N ILE A 149 0.363 7.162 8.257 1.00 0.00 N ATOM 2121 CA ILE A 149 1.814 7.044 8.256 1.00 0.00 C ATOM 2122 C ILE A 149 2.394 8.197 9.082 1.00 0.00 C ATOM 2123 O ILE A 149 2.152 9.361 8.757 1.00 0.00 O ATOM 2124 CB ILE A 149 2.337 7.093 6.809 1.00 0.00 C ATOM 2125 CG1 ILE A 149 1.585 6.144 5.855 1.00 0.00 C ATOM 2126 CG2 ILE A 149 3.848 6.807 6.778 1.00 0.00 C ATOM 2127 CD1 ILE A 149 2.169 6.172 4.439 1.00 0.00 C ATOM 0 H ILE A 149 0.001 7.687 7.461 1.00 0.00 H new ATOM 0 HA ILE A 149 2.120 6.094 8.695 1.00 0.00 H new ATOM 0 HB ILE A 149 2.149 8.103 6.444 1.00 0.00 H new ATOM 0 HG12 ILE A 149 1.630 5.127 6.245 1.00 0.00 H new ATOM 0 HG13 ILE A 149 0.533 6.426 5.819 1.00 0.00 H new ATOM 0 HG21 ILE A 149 4.204 6.845 5.749 1.00 0.00 H new ATOM 0 HG22 ILE A 149 4.372 7.556 7.371 1.00 0.00 H new ATOM 0 HG23 ILE A 149 4.040 5.817 7.192 1.00 0.00 H new ATOM 0 HD11 ILE A 149 1.609 5.489 3.801 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.100 7.183 4.037 1.00 0.00 H new ATOM 0 HD13 ILE A 149 3.214 5.864 4.470 1.00 0.00 H new ATOM 2139 N GLY A 150 3.169 7.889 10.127 1.00 0.00 N ATOM 2140 CA GLY A 150 3.751 8.879 11.018 1.00 0.00 C ATOM 2141 C GLY A 150 5.114 8.400 11.502 1.00 0.00 C ATOM 2142 O GLY A 150 5.616 7.371 11.052 1.00 0.00 O ATOM 0 H GLY A 150 3.409 6.929 10.375 1.00 0.00 H new ATOM 0 HA2 GLY A 150 3.853 9.832 10.500 1.00 0.00 H new ATOM 0 HA3 GLY A 150 3.091 9.048 11.869 1.00 0.00 H new ATOM 2146 N ILE A 151 5.731 9.153 12.411 1.00 0.00 N ATOM 2147 CA ILE A 151 7.007 8.803 12.998 1.00 0.00 C ATOM 2148 C ILE A 151 6.800 7.628 13.959 1.00 0.00 C ATOM 2149 O ILE A 151 5.772 7.525 14.620 1.00 0.00 O ATOM 2150 CB ILE A 151 7.628 10.017 13.715 1.00 0.00 C ATOM 2151 CG1 ILE A 151 7.450 11.331 12.929 1.00 0.00 C ATOM 2152 CG2 ILE A 151 9.129 9.770 13.909 1.00 0.00 C ATOM 2153 CD1 ILE A 151 6.353 12.224 13.520 1.00 0.00 C ATOM 0 H ILE A 151 5.348 10.032 12.759 1.00 0.00 H new ATOM 0 HA ILE A 151 7.705 8.504 12.216 1.00 0.00 H new ATOM 0 HB ILE A 151 7.111 10.126 14.668 1.00 0.00 H new ATOM 0 HG12 ILE A 151 8.393 11.877 12.921 1.00 0.00 H new ATOM 0 HG13 ILE A 151 7.207 11.100 11.892 1.00 0.00 H new ATOM 0 HG21 ILE A 151 9.576 10.625 14.416 1.00 0.00 H new ATOM 0 HG22 ILE A 151 9.275 8.874 14.512 1.00 0.00 H new ATOM 0 HG23 ILE A 151 9.604 9.635 12.937 1.00 0.00 H new ATOM 0 HD11 ILE A 151 6.269 13.136 12.929 1.00 0.00 H new ATOM 0 HD12 ILE A 151 5.402 11.692 13.503 1.00 0.00 H new ATOM 0 HD13 ILE A 151 6.607 12.480 14.549 1.00 0.00 H new ATOM 2165 N ALA A 152 7.795 6.750 14.052 1.00 0.00 N ATOM 2166 CA ALA A 152 7.853 5.683 15.038 1.00 0.00 C ATOM 2167 C ALA A 152 8.392 6.245 16.358 1.00 0.00 C ATOM 2168 O ALA A 152 9.456 5.842 16.829 1.00 0.00 O ATOM 2169 CB ALA A 152 8.716 4.536 14.500 1.00 0.00 C ATOM 0 H ALA A 152 8.601 6.764 13.427 1.00 0.00 H new ATOM 0 HA ALA A 152 6.858 5.282 15.229 1.00 0.00 H new ATOM 0 HB1 ALA A 152 8.760 3.736 15.239 1.00 0.00 H new ATOM 0 HB2 ALA A 152 8.279 4.154 13.577 1.00 0.00 H new ATOM 0 HB3 ALA A 152 9.723 4.901 14.301 1.00 0.00 H new ATOM 2175 N GLN A 153 7.669 7.205 16.937 1.00 0.00 N ATOM 2176 CA GLN A 153 7.841 7.729 18.280 1.00 0.00 C ATOM 2177 C GLN A 153 6.662 8.669 18.521 1.00 0.00 C ATOM 2178 O GLN A 153 6.488 9.088 19.683 1.00 0.00 O ATOM 2179 CB GLN A 153 9.172 8.475 18.462 1.00 0.00 C ATOM 2180 CG GLN A 153 9.379 9.541 17.378 1.00 0.00 C ATOM 2181 CD GLN A 153 10.363 10.625 17.794 1.00 0.00 C ATOM 2182 OE1 GLN A 153 11.456 10.310 18.260 1.00 0.00 O ATOM 2183 NE2 GLN A 153 10.028 11.888 17.552 1.00 0.00 N ATOM 2184 OXT GLN A 153 5.987 8.975 17.510 1.00 0.00 O ATOM 0 H GLN A 153 6.901 7.661 16.444 1.00 0.00 H new ATOM 0 HA GLN A 153 7.868 6.910 18.998 1.00 0.00 H new ATOM 0 HB2 GLN A 153 9.193 8.946 19.445 1.00 0.00 H new ATOM 0 HB3 GLN A 153 9.996 7.762 18.433 1.00 0.00 H new ATOM 0 HG2 GLN A 153 9.738 9.061 16.468 1.00 0.00 H new ATOM 0 HG3 GLN A 153 8.420 10.000 17.139 1.00 0.00 H new ATOM 0 HE21 GLN A 153 9.110 12.107 17.165 1.00 0.00 H new ATOM 0 HE22 GLN A 153 10.689 12.638 17.754 1.00 0.00 H new