USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1085 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 113 ASN : amide:sc= -1.19! K(o=-4.7!,f=-1.6) USER MOD Set 1.2: A 128 CYS SG : rot -130:sc= -3.55! USER MOD Set 2.1: A 22 ASN : amide:sc= -2.55! C(o=-3.2!,f=-6.6!) USER MOD Set 2.2: A 37 TYR OH : rot 0:sc= -0.644! USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -146:sc= 0.109 (180deg=-1.94!) USER MOD Single : A 13 GLN : amide:sc= -0.364 K(o=-0.36,f=-3.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -145:sc= 2.17 (180deg=0.254) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 74:sc= 1.19 USER MOD Single : A 35 LYS NZ :NH3+ 160:sc= -0.0746 (180deg=-0.421) USER MOD Single : A 36 HIS : no HE2:sc= 0.198 K(o=0.2,f=-6!) USER MOD Single : A 39 LYS NZ :NH3+ -167:sc= -0.022 (180deg=-0.181) USER MOD Single : A 41 LYS NZ :NH3+ -172:sc=-0.00938 (180deg=-0.139) USER MOD Single : A 46 THR OG1 : rot 19:sc= 1.19 USER MOD Single : A 47 ASN : amide:sc= -4.08! C(o=-4.1!,f=-2!) USER MOD Single : A 48 MET CE :methyl -120:sc= -7.44! (180deg=-9.49!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 165:sc= 0 USER MOD Single : A 52 THR OG1 : rot -18:sc= 0.735 USER MOD Single : A 53 ASN : amide:sc= -1.69! C(o=-1.7!,f=-1.8!) USER MOD Single : A 54 GLN : amide:sc= -8.7! C(o=-8.7!,f=-14!) USER MOD Single : A 58 TYR OH : rot 180:sc= -1.46! USER MOD Single : A 61 LYS NZ :NH3+ 149:sc= 1.13 (180deg=-0.627) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.541 X(o=-0.54,f=-0.042) USER MOD Single : A 66 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.181) USER MOD Single : A 67 CYS SG : rot 21:sc= -9.47! USER MOD Single : A 71 CYS SG : rot 90:sc= 0.805 USER MOD Single : A 73 LYS NZ :NH3+ 163:sc= 1.25 (180deg=1.13) USER MOD Single : A 81 ASN : amide:sc= -1.69 X(o=-1.7,f=-1.7!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0.194 USER MOD Single : A 87 GLN : amide:sc= -0.37 K(o=-0.37,f=-1.3) USER MOD Single : A 90 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0526) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 98 SER OG : rot -14:sc= 1.2 USER MOD Single : A 99 TYR OH : rot -165:sc= -2.43! USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 148:sc= 1.2 (180deg=0.822) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0503) USER MOD Single : A 110 HIS : no HE2:sc= -0.148 K(o=-0.15,f=-1.1) USER MOD Single : A 112 TYR OH : rot -160:sc= -0.879 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 122:sc= -0.609 USER MOD Single : A 119 HIS : no HD1:sc= -3.18! C(o=-3.2!,f=-5.6!) USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.0145 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 139:sc= 1.25 (180deg=0.864) USER MOD Single : A 129 GLN : amide:sc= -1.44 X(o=-1.4,f=-1.3) USER MOD Single : A 130 GLN : amide:sc= -2.75! K(o=-2.7!,f=-0.1) USER MOD Single : A 133 LYS NZ :NH3+ 148:sc= -0.913 (180deg=-2.57!) USER MOD Single : A 136 LYS NZ :NH3+ -116:sc= 0.744 (180deg=-0.341) USER MOD Single : A 138 GLN : amide:sc= -5.16! C(o=-5.2!,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 9 26.126 -5.172 1.706 1.00 1.26 N ATOM 2 CA GLU A 9 24.863 -5.683 1.129 1.00 1.05 C ATOM 3 C GLU A 9 23.851 -4.554 1.008 1.00 0.90 C ATOM 4 O GLU A 9 23.752 -3.698 1.888 1.00 0.98 O ATOM 5 CB GLU A 9 24.285 -6.796 2.007 1.00 1.37 C ATOM 6 CG GLU A 9 23.814 -6.313 3.364 1.00 2.20 C ATOM 7 CD GLU A 9 23.212 -7.419 4.201 1.00 2.80 C ATOM 8 OE1 GLU A 9 23.972 -8.126 4.892 1.00 3.26 O ATOM 9 OE2 GLU A 9 21.974 -7.583 4.177 1.00 3.20 O ATOM 0 HA GLU A 9 25.075 -6.087 0.139 1.00 1.05 H new ATOM 0 HB2 GLU A 9 23.449 -7.262 1.486 1.00 1.37 H new ATOM 0 HB3 GLU A 9 25.042 -7.567 2.148 1.00 1.37 H new ATOM 0 HG2 GLU A 9 24.655 -5.874 3.901 1.00 2.20 H new ATOM 0 HG3 GLU A 9 23.075 -5.523 3.228 1.00 2.20 H new ATOM 18 N ASN A 10 23.105 -4.546 -0.085 1.00 0.79 N ATOM 19 CA ASN A 10 22.095 -3.522 -0.296 1.00 0.66 C ATOM 20 C ASN A 10 20.797 -3.892 0.403 1.00 0.59 C ATOM 21 O ASN A 10 19.993 -3.024 0.711 1.00 0.53 O ATOM 22 CB ASN A 10 21.842 -3.287 -1.792 1.00 0.62 C ATOM 23 CG ASN A 10 23.047 -2.709 -2.507 1.00 1.14 C ATOM 24 OD1 ASN A 10 23.846 -1.977 -1.919 1.00 1.94 O ATOM 25 ND2 ASN A 10 23.185 -3.029 -3.784 1.00 1.45 N ATOM 0 H ASN A 10 23.179 -5.233 -0.836 1.00 0.79 H new ATOM 0 HA ASN A 10 22.473 -2.595 0.135 1.00 0.66 H new ATOM 0 HB2 ASN A 10 21.565 -4.231 -2.262 1.00 0.62 H new ATOM 0 HB3 ASN A 10 20.996 -2.611 -1.911 1.00 0.62 H new ATOM 0 HD21 ASN A 10 23.975 -2.667 -4.318 1.00 1.45 H new ATOM 0 HD22 ASN A 10 22.502 -3.638 -4.234 1.00 1.45 H new ATOM 32 N LYS A 11 20.603 -5.179 0.662 1.00 0.63 N ATOM 33 CA LYS A 11 19.382 -5.657 1.310 1.00 0.62 C ATOM 34 C LYS A 11 19.175 -4.997 2.668 1.00 0.62 C ATOM 35 O LYS A 11 18.120 -4.423 2.937 1.00 0.58 O ATOM 36 CB LYS A 11 19.424 -7.171 1.489 1.00 0.71 C ATOM 37 CG LYS A 11 19.500 -7.944 0.188 1.00 0.79 C ATOM 38 CD LYS A 11 19.490 -9.438 0.452 1.00 1.12 C ATOM 39 CE LYS A 11 19.578 -10.240 -0.833 1.00 1.50 C ATOM 40 NZ LYS A 11 19.524 -11.704 -0.577 1.00 2.19 N ATOM 0 H LYS A 11 21.274 -5.913 0.434 1.00 0.63 H new ATOM 0 HA LYS A 11 18.548 -5.390 0.661 1.00 0.62 H new ATOM 0 HB2 LYS A 11 20.286 -7.430 2.104 1.00 0.71 H new ATOM 0 HB3 LYS A 11 18.535 -7.487 2.036 1.00 0.71 H new ATOM 0 HG2 LYS A 11 18.657 -7.676 -0.450 1.00 0.79 H new ATOM 0 HG3 LYS A 11 20.407 -7.671 -0.351 1.00 0.79 H new ATOM 0 HD2 LYS A 11 20.327 -9.698 1.100 1.00 1.12 H new ATOM 0 HD3 LYS A 11 18.578 -9.706 0.986 1.00 1.12 H new ATOM 0 HE2 LYS A 11 18.760 -9.957 -1.495 1.00 1.50 H new ATOM 0 HE3 LYS A 11 20.506 -9.996 -1.351 1.00 1.50 H new ATOM 0 HZ1 LYS A 11 19.587 -12.217 -1.480 1.00 2.19 H new ATOM 0 HZ2 LYS A 11 20.320 -11.979 0.034 1.00 2.19 H new ATOM 0 HZ3 LYS A 11 18.628 -11.941 -0.106 1.00 2.19 H new ATOM 54 N LYS A 12 20.185 -5.078 3.521 1.00 0.70 N ATOM 55 CA LYS A 12 20.091 -4.511 4.857 1.00 0.74 C ATOM 56 C LYS A 12 20.034 -2.989 4.783 1.00 0.66 C ATOM 57 O LYS A 12 19.366 -2.339 5.589 1.00 0.63 O ATOM 58 CB LYS A 12 21.276 -4.960 5.709 1.00 0.90 C ATOM 59 CG LYS A 12 21.030 -4.873 7.207 1.00 1.54 C ATOM 60 CD LYS A 12 19.890 -5.780 7.669 1.00 2.02 C ATOM 61 CE LYS A 12 20.232 -7.268 7.571 1.00 2.38 C ATOM 62 NZ LYS A 12 20.086 -7.816 6.191 1.00 2.83 N ATOM 0 H LYS A 12 21.076 -5.529 3.313 1.00 0.70 H new ATOM 0 HA LYS A 12 19.174 -4.870 5.324 1.00 0.74 H new ATOM 0 HB2 LYS A 12 21.526 -5.989 5.452 1.00 0.90 H new ATOM 0 HB3 LYS A 12 22.143 -4.349 5.458 1.00 0.90 H new ATOM 0 HG2 LYS A 12 21.943 -5.144 7.738 1.00 1.54 H new ATOM 0 HG3 LYS A 12 20.800 -3.842 7.474 1.00 1.54 H new ATOM 0 HD2 LYS A 12 19.637 -5.538 8.701 1.00 2.02 H new ATOM 0 HD3 LYS A 12 19.004 -5.576 7.067 1.00 2.02 H new ATOM 0 HE2 LYS A 12 21.257 -7.421 7.909 1.00 2.38 H new ATOM 0 HE3 LYS A 12 19.586 -7.828 8.247 1.00 2.38 H new ATOM 0 HZ1 LYS A 12 19.761 -8.803 6.242 1.00 2.83 H new ATOM 0 HZ2 LYS A 12 19.391 -7.249 5.664 1.00 2.83 H new ATOM 0 HZ3 LYS A 12 21.004 -7.778 5.704 1.00 2.83 H new ATOM 76 N GLN A 13 20.737 -2.426 3.807 1.00 0.64 N ATOM 77 CA GLN A 13 20.721 -0.999 3.576 1.00 0.59 C ATOM 78 C GLN A 13 19.331 -0.548 3.136 1.00 0.50 C ATOM 79 O GLN A 13 18.886 0.545 3.477 1.00 0.49 O ATOM 80 CB GLN A 13 21.756 -0.646 2.515 1.00 0.62 C ATOM 81 CG GLN A 13 22.272 0.767 2.636 1.00 0.90 C ATOM 82 CD GLN A 13 23.288 1.111 1.568 1.00 1.51 C ATOM 83 OE1 GLN A 13 22.940 1.614 0.499 1.00 2.07 O ATOM 84 NE2 GLN A 13 24.551 0.831 1.841 1.00 2.26 N ATOM 0 H GLN A 13 21.329 -2.948 3.161 1.00 0.64 H new ATOM 0 HA GLN A 13 20.969 -0.482 4.503 1.00 0.59 H new ATOM 0 HB2 GLN A 13 22.594 -1.340 2.589 1.00 0.62 H new ATOM 0 HB3 GLN A 13 21.315 -0.782 1.527 1.00 0.62 H new ATOM 0 HG2 GLN A 13 21.435 1.462 2.573 1.00 0.90 H new ATOM 0 HG3 GLN A 13 22.724 0.902 3.619 1.00 0.90 H new ATOM 0 HE21 GLN A 13 24.799 0.414 2.739 1.00 2.26 H new ATOM 0 HE22 GLN A 13 25.278 1.032 1.154 1.00 2.26 H new ATOM 93 N ALA A 14 18.653 -1.407 2.377 1.00 0.46 N ATOM 94 CA ALA A 14 17.286 -1.157 1.938 1.00 0.38 C ATOM 95 C ALA A 14 16.373 -0.962 3.136 1.00 0.39 C ATOM 96 O ALA A 14 15.442 -0.159 3.102 1.00 0.36 O ATOM 97 CB ALA A 14 16.789 -2.313 1.078 1.00 0.36 C ATOM 0 H ALA A 14 19.037 -2.294 2.051 1.00 0.46 H new ATOM 0 HA ALA A 14 17.274 -0.246 1.340 1.00 0.38 H new ATOM 0 HB1 ALA A 14 15.767 -2.114 0.756 1.00 0.36 H new ATOM 0 HB2 ALA A 14 17.431 -2.418 0.203 1.00 0.36 H new ATOM 0 HB3 ALA A 14 16.814 -3.235 1.659 1.00 0.36 H new ATOM 103 N LEU A 15 16.652 -1.703 4.198 1.00 0.45 N ATOM 104 CA LEU A 15 15.887 -1.585 5.425 1.00 0.47 C ATOM 105 C LEU A 15 16.066 -0.182 5.999 1.00 0.49 C ATOM 106 O LEU A 15 15.103 0.444 6.441 1.00 0.49 O ATOM 107 CB LEU A 15 16.337 -2.666 6.425 1.00 0.54 C ATOM 108 CG LEU A 15 15.376 -2.977 7.585 1.00 1.13 C ATOM 109 CD1 LEU A 15 15.423 -1.894 8.651 1.00 1.98 C ATOM 110 CD2 LEU A 15 13.956 -3.150 7.072 1.00 1.31 C ATOM 0 H LEU A 15 17.403 -2.392 4.232 1.00 0.45 H new ATOM 0 HA LEU A 15 14.827 -1.739 5.222 1.00 0.47 H new ATOM 0 HB2 LEU A 15 16.513 -3.589 5.872 1.00 0.54 H new ATOM 0 HB3 LEU A 15 17.294 -2.361 6.848 1.00 0.54 H new ATOM 0 HG LEU A 15 15.701 -3.912 8.041 1.00 1.13 H new ATOM 0 HD11 LEU A 15 14.732 -2.145 9.456 1.00 1.98 H new ATOM 0 HD12 LEU A 15 16.434 -1.821 9.051 1.00 1.98 H new ATOM 0 HD13 LEU A 15 15.136 -0.938 8.212 1.00 1.98 H new ATOM 0 HD21 LEU A 15 13.291 -3.369 7.908 1.00 1.31 H new ATOM 0 HD22 LEU A 15 13.632 -2.232 6.582 1.00 1.31 H new ATOM 0 HD23 LEU A 15 13.925 -3.973 6.358 1.00 1.31 H new ATOM 122 N LYS A 16 17.296 0.320 5.946 1.00 0.51 N ATOM 123 CA LYS A 16 17.592 1.663 6.431 1.00 0.54 C ATOM 124 C LYS A 16 16.921 2.705 5.546 1.00 0.48 C ATOM 125 O LYS A 16 16.358 3.677 6.040 1.00 0.49 O ATOM 126 CB LYS A 16 19.100 1.917 6.463 1.00 0.62 C ATOM 127 CG LYS A 16 19.470 3.221 7.152 1.00 0.79 C ATOM 128 CD LYS A 16 20.922 3.600 6.918 1.00 1.64 C ATOM 129 CE LYS A 16 21.168 3.985 5.468 1.00 1.89 C ATOM 130 NZ LYS A 16 22.525 4.553 5.265 1.00 2.88 N ATOM 0 H LYS A 16 18.102 -0.182 5.573 1.00 0.51 H new ATOM 0 HA LYS A 16 17.203 1.743 7.446 1.00 0.54 H new ATOM 0 HB2 LYS A 16 19.591 1.090 6.976 1.00 0.62 H new ATOM 0 HB3 LYS A 16 19.482 1.931 5.442 1.00 0.62 H new ATOM 0 HG2 LYS A 16 18.824 4.019 6.786 1.00 0.79 H new ATOM 0 HG3 LYS A 16 19.288 3.129 8.223 1.00 0.79 H new ATOM 0 HD2 LYS A 16 21.192 4.433 7.568 1.00 1.64 H new ATOM 0 HD3 LYS A 16 21.566 2.763 7.188 1.00 1.64 H new ATOM 0 HE2 LYS A 16 21.044 3.107 4.834 1.00 1.89 H new ATOM 0 HE3 LYS A 16 20.420 4.713 5.154 1.00 1.89 H new ATOM 0 HZ1 LYS A 16 22.651 4.802 4.263 1.00 2.88 H new ATOM 0 HZ2 LYS A 16 22.636 5.406 5.850 1.00 2.88 H new ATOM 0 HZ3 LYS A 16 23.240 3.850 5.539 1.00 2.88 H new ATOM 144 N GLU A 17 16.983 2.495 4.233 1.00 0.42 N ATOM 145 CA GLU A 17 16.352 3.402 3.280 1.00 0.38 C ATOM 146 C GLU A 17 14.842 3.462 3.502 1.00 0.35 C ATOM 147 O GLU A 17 14.234 4.527 3.396 1.00 0.34 O ATOM 148 CB GLU A 17 16.674 2.990 1.838 1.00 0.35 C ATOM 149 CG GLU A 17 18.105 3.284 1.425 1.00 0.39 C ATOM 150 CD GLU A 17 18.565 4.666 1.853 1.00 0.42 C ATOM 151 OE1 GLU A 17 18.165 5.664 1.208 1.00 0.39 O ATOM 152 OE2 GLU A 17 19.326 4.763 2.835 1.00 0.54 O ATOM 0 H GLU A 17 17.464 1.704 3.806 1.00 0.42 H new ATOM 0 HA GLU A 17 16.758 4.400 3.446 1.00 0.38 H new ATOM 0 HB2 GLU A 17 16.484 1.923 1.723 1.00 0.35 H new ATOM 0 HB3 GLU A 17 15.996 3.509 1.161 1.00 0.35 H new ATOM 0 HG2 GLU A 17 18.766 2.534 1.860 1.00 0.39 H new ATOM 0 HG3 GLU A 17 18.192 3.196 0.342 1.00 0.39 H new ATOM 159 N LYS A 18 14.244 2.325 3.835 1.00 0.34 N ATOM 160 CA LYS A 18 12.817 2.282 4.129 1.00 0.34 C ATOM 161 C LYS A 18 12.508 3.131 5.366 1.00 0.40 C ATOM 162 O LYS A 18 11.511 3.853 5.405 1.00 0.41 O ATOM 163 CB LYS A 18 12.350 0.841 4.354 1.00 0.34 C ATOM 164 CG LYS A 18 10.835 0.700 4.397 1.00 0.33 C ATOM 165 CD LYS A 18 10.391 -0.645 4.954 1.00 0.36 C ATOM 166 CE LYS A 18 10.760 -0.780 6.415 1.00 0.50 C ATOM 167 NZ LYS A 18 10.217 -2.023 7.016 1.00 0.80 N ATOM 0 H LYS A 18 14.721 1.426 3.908 1.00 0.34 H new ATOM 0 HA LYS A 18 12.279 2.689 3.272 1.00 0.34 H new ATOM 0 HB2 LYS A 18 12.744 0.210 3.558 1.00 0.34 H new ATOM 0 HB3 LYS A 18 12.769 0.472 5.290 1.00 0.34 H new ATOM 0 HG2 LYS A 18 10.416 1.499 5.009 1.00 0.33 H new ATOM 0 HG3 LYS A 18 10.433 0.824 3.391 1.00 0.33 H new ATOM 0 HD2 LYS A 18 9.313 -0.752 4.837 1.00 0.36 H new ATOM 0 HD3 LYS A 18 10.855 -1.449 4.383 1.00 0.36 H new ATOM 0 HE2 LYS A 18 11.845 -0.773 6.516 1.00 0.50 H new ATOM 0 HE3 LYS A 18 10.383 0.082 6.965 1.00 0.50 H new ATOM 0 HZ1 LYS A 18 10.494 -2.074 8.017 1.00 0.80 H new ATOM 0 HZ2 LYS A 18 9.180 -2.019 6.944 1.00 0.80 H new ATOM 0 HZ3 LYS A 18 10.596 -2.848 6.509 1.00 0.80 H new ATOM 181 N GLU A 19 13.382 3.047 6.367 1.00 0.46 N ATOM 182 CA GLU A 19 13.225 3.821 7.597 1.00 0.52 C ATOM 183 C GLU A 19 13.472 5.297 7.344 1.00 0.50 C ATOM 184 O GLU A 19 12.729 6.141 7.821 1.00 0.53 O ATOM 185 CB GLU A 19 14.188 3.325 8.673 1.00 0.58 C ATOM 186 CG GLU A 19 14.035 1.850 9.003 1.00 0.63 C ATOM 187 CD GLU A 19 15.011 1.389 10.064 1.00 1.32 C ATOM 188 OE1 GLU A 19 16.205 1.751 9.983 1.00 2.32 O ATOM 189 OE2 GLU A 19 14.592 0.652 10.982 1.00 1.29 O ATOM 0 H GLU A 19 14.208 2.449 6.350 1.00 0.46 H new ATOM 0 HA GLU A 19 12.200 3.687 7.942 1.00 0.52 H new ATOM 0 HB2 GLU A 19 15.211 3.510 8.344 1.00 0.58 H new ATOM 0 HB3 GLU A 19 14.035 3.908 9.581 1.00 0.58 H new ATOM 0 HG2 GLU A 19 13.017 1.661 9.344 1.00 0.63 H new ATOM 0 HG3 GLU A 19 14.183 1.261 8.098 1.00 0.63 H new ATOM 196 N LEU A 20 14.522 5.599 6.596 1.00 0.47 N ATOM 197 CA LEU A 20 14.860 6.977 6.263 1.00 0.46 C ATOM 198 C LEU A 20 13.725 7.639 5.491 1.00 0.43 C ATOM 199 O LEU A 20 13.410 8.810 5.706 1.00 0.45 O ATOM 200 CB LEU A 20 16.157 7.023 5.451 1.00 0.45 C ATOM 201 CG LEU A 20 17.399 7.480 6.220 1.00 0.53 C ATOM 202 CD1 LEU A 20 17.265 8.937 6.623 1.00 0.58 C ATOM 203 CD2 LEU A 20 17.626 6.609 7.447 1.00 0.60 C ATOM 0 H LEU A 20 15.159 4.905 6.205 1.00 0.47 H new ATOM 0 HA LEU A 20 15.009 7.529 7.191 1.00 0.46 H new ATOM 0 HB2 LEU A 20 16.347 6.029 5.046 1.00 0.45 H new ATOM 0 HB3 LEU A 20 16.010 7.691 4.602 1.00 0.45 H new ATOM 0 HG LEU A 20 18.264 7.377 5.564 1.00 0.53 H new ATOM 0 HD11 LEU A 20 18.156 9.247 7.169 1.00 0.58 H new ATOM 0 HD12 LEU A 20 17.154 9.553 5.730 1.00 0.58 H new ATOM 0 HD13 LEU A 20 16.389 9.059 7.260 1.00 0.58 H new ATOM 0 HD21 LEU A 20 18.514 6.952 7.978 1.00 0.60 H new ATOM 0 HD22 LEU A 20 16.761 6.676 8.106 1.00 0.60 H new ATOM 0 HD23 LEU A 20 17.766 5.573 7.137 1.00 0.60 H new ATOM 215 N GLY A 21 13.118 6.880 4.591 1.00 0.39 N ATOM 216 CA GLY A 21 11.954 7.362 3.882 1.00 0.37 C ATOM 217 C GLY A 21 10.784 7.579 4.818 1.00 0.40 C ATOM 218 O GLY A 21 10.211 8.658 4.856 1.00 0.41 O ATOM 0 H GLY A 21 13.413 5.936 4.339 1.00 0.39 H new ATOM 0 HA2 GLY A 21 12.196 8.297 3.377 1.00 0.37 H new ATOM 0 HA3 GLY A 21 11.675 6.646 3.109 1.00 0.37 H new ATOM 222 N ASN A 22 10.451 6.552 5.589 1.00 0.43 N ATOM 223 CA ASN A 22 9.363 6.627 6.571 1.00 0.47 C ATOM 224 C ASN A 22 9.584 7.763 7.573 1.00 0.53 C ATOM 225 O ASN A 22 8.639 8.402 8.032 1.00 0.56 O ATOM 226 CB ASN A 22 9.251 5.297 7.320 1.00 0.52 C ATOM 227 CG ASN A 22 7.993 5.197 8.161 1.00 0.59 C ATOM 228 OD1 ASN A 22 8.006 5.488 9.352 1.00 1.27 O ATOM 229 ND2 ASN A 22 6.896 4.787 7.542 1.00 1.23 N ATOM 0 H ASN A 22 10.920 5.647 5.557 1.00 0.43 H new ATOM 0 HA ASN A 22 8.438 6.830 6.031 1.00 0.47 H new ATOM 0 HB2 ASN A 22 9.267 4.478 6.601 1.00 0.52 H new ATOM 0 HB3 ASN A 22 10.122 5.173 7.963 1.00 0.52 H new ATOM 0 HD21 ASN A 22 6.020 4.704 8.058 1.00 1.23 H new ATOM 0 HD22 ASN A 22 6.927 4.554 6.549 1.00 1.23 H new ATOM 236 N ASP A 23 10.838 8.004 7.899 1.00 0.54 N ATOM 237 CA ASP A 23 11.220 9.051 8.837 1.00 0.59 C ATOM 238 C ASP A 23 10.907 10.433 8.268 1.00 0.58 C ATOM 239 O ASP A 23 10.347 11.293 8.951 1.00 0.62 O ATOM 240 CB ASP A 23 12.713 8.925 9.130 1.00 0.61 C ATOM 241 CG ASP A 23 13.184 9.852 10.227 1.00 0.74 C ATOM 242 OD1 ASP A 23 13.086 9.477 11.413 1.00 0.93 O ATOM 243 OD2 ASP A 23 13.653 10.964 9.911 1.00 0.79 O ATOM 0 H ASP A 23 11.627 7.479 7.522 1.00 0.54 H new ATOM 0 HA ASP A 23 10.649 8.935 9.758 1.00 0.59 H new ATOM 0 HB2 ASP A 23 12.936 7.896 9.412 1.00 0.61 H new ATOM 0 HB3 ASP A 23 13.274 9.135 8.220 1.00 0.61 H new ATOM 248 N ALA A 24 11.278 10.634 7.013 1.00 0.53 N ATOM 249 CA ALA A 24 10.966 11.864 6.295 1.00 0.53 C ATOM 250 C ALA A 24 9.463 11.955 6.043 1.00 0.53 C ATOM 251 O ALA A 24 8.874 13.035 6.071 1.00 0.58 O ATOM 252 CB ALA A 24 11.744 11.888 4.992 1.00 0.49 C ATOM 0 H ALA A 24 11.802 9.953 6.464 1.00 0.53 H new ATOM 0 HA ALA A 24 11.256 12.728 6.892 1.00 0.53 H new ATOM 0 HB1 ALA A 24 11.516 12.805 4.449 1.00 0.49 H new ATOM 0 HB2 ALA A 24 12.812 11.849 5.205 1.00 0.49 H new ATOM 0 HB3 ALA A 24 11.463 11.027 4.385 1.00 0.49 H new ATOM 258 N TYR A 25 8.867 10.791 5.823 1.00 0.48 N ATOM 259 CA TYR A 25 7.424 10.632 5.651 1.00 0.49 C ATOM 260 C TYR A 25 6.673 11.216 6.845 1.00 0.59 C ATOM 261 O TYR A 25 5.629 11.855 6.697 1.00 0.63 O ATOM 262 CB TYR A 25 7.137 9.134 5.510 1.00 0.46 C ATOM 263 CG TYR A 25 5.695 8.744 5.291 1.00 0.48 C ATOM 264 CD1 TYR A 25 5.173 8.676 4.012 1.00 0.40 C ATOM 265 CD2 TYR A 25 4.869 8.406 6.357 1.00 0.64 C ATOM 266 CE1 TYR A 25 3.869 8.289 3.790 1.00 0.45 C ATOM 267 CE2 TYR A 25 3.561 8.012 6.146 1.00 0.68 C ATOM 268 CZ TYR A 25 3.065 7.954 4.860 1.00 0.54 C ATOM 269 OH TYR A 25 1.761 7.564 4.645 1.00 0.63 O ATOM 0 H TYR A 25 9.380 9.912 5.757 1.00 0.48 H new ATOM 0 HA TYR A 25 7.086 11.167 4.763 1.00 0.49 H new ATOM 0 HB2 TYR A 25 7.725 8.751 4.676 1.00 0.46 H new ATOM 0 HB3 TYR A 25 7.494 8.632 6.409 1.00 0.46 H new ATOM 0 HD1 TYR A 25 5.800 8.931 3.170 1.00 0.40 H new ATOM 0 HD2 TYR A 25 5.255 8.452 7.365 1.00 0.64 H new ATOM 0 HE1 TYR A 25 3.479 8.248 2.784 1.00 0.45 H new ATOM 0 HE2 TYR A 25 2.931 7.751 6.983 1.00 0.68 H new ATOM 0 HH TYR A 25 1.334 7.362 5.504 1.00 0.63 H new ATOM 279 N LYS A 26 7.232 11.000 8.026 1.00 0.65 N ATOM 280 CA LYS A 26 6.649 11.485 9.267 1.00 0.77 C ATOM 281 C LYS A 26 6.758 13.002 9.389 1.00 0.81 C ATOM 282 O LYS A 26 5.929 13.638 10.034 1.00 0.94 O ATOM 283 CB LYS A 26 7.334 10.807 10.451 1.00 0.82 C ATOM 284 CG LYS A 26 6.973 9.344 10.583 1.00 0.86 C ATOM 285 CD LYS A 26 7.746 8.679 11.701 1.00 1.03 C ATOM 286 CE LYS A 26 7.493 7.187 11.711 1.00 0.90 C ATOM 287 NZ LYS A 26 8.296 6.487 12.745 1.00 1.62 N ATOM 0 H LYS A 26 8.103 10.483 8.151 1.00 0.65 H new ATOM 0 HA LYS A 26 5.588 11.235 9.264 1.00 0.77 H new ATOM 0 HB2 LYS A 26 8.414 10.901 10.341 1.00 0.82 H new ATOM 0 HB3 LYS A 26 7.061 11.327 11.369 1.00 0.82 H new ATOM 0 HG2 LYS A 26 5.904 9.248 10.772 1.00 0.86 H new ATOM 0 HG3 LYS A 26 7.178 8.832 9.643 1.00 0.86 H new ATOM 0 HD2 LYS A 26 8.812 8.872 11.578 1.00 1.03 H new ATOM 0 HD3 LYS A 26 7.453 9.109 12.659 1.00 1.03 H new ATOM 0 HE2 LYS A 26 6.434 7.001 11.889 1.00 0.90 H new ATOM 0 HE3 LYS A 26 7.728 6.774 10.730 1.00 0.90 H new ATOM 0 HZ1 LYS A 26 8.089 5.468 12.714 1.00 1.62 H new ATOM 0 HZ2 LYS A 26 9.308 6.641 12.562 1.00 1.62 H new ATOM 0 HZ3 LYS A 26 8.054 6.861 13.685 1.00 1.62 H new ATOM 301 N LYS A 27 7.763 13.581 8.751 1.00 0.75 N ATOM 302 CA LYS A 27 7.984 15.019 8.834 1.00 0.80 C ATOM 303 C LYS A 27 7.472 15.734 7.591 1.00 0.79 C ATOM 304 O LYS A 27 7.949 16.818 7.252 1.00 0.84 O ATOM 305 CB LYS A 27 9.468 15.322 9.045 1.00 0.80 C ATOM 306 CG LYS A 27 9.943 15.036 10.459 1.00 1.16 C ATOM 307 CD LYS A 27 11.438 15.268 10.610 1.00 1.58 C ATOM 308 CE LYS A 27 12.247 14.147 9.983 1.00 1.93 C ATOM 309 NZ LYS A 27 11.987 12.843 10.647 1.00 2.31 N ATOM 0 H LYS A 27 8.437 13.081 8.172 1.00 0.75 H new ATOM 0 HA LYS A 27 7.422 15.391 9.691 1.00 0.80 H new ATOM 0 HB2 LYS A 27 10.056 14.729 8.344 1.00 0.80 H new ATOM 0 HB3 LYS A 27 9.655 16.370 8.811 1.00 0.80 H new ATOM 0 HG2 LYS A 27 9.404 15.673 11.160 1.00 1.16 H new ATOM 0 HG3 LYS A 27 9.707 14.004 10.720 1.00 1.16 H new ATOM 0 HD2 LYS A 27 11.708 16.216 10.144 1.00 1.58 H new ATOM 0 HD3 LYS A 27 11.688 15.350 11.668 1.00 1.58 H new ATOM 0 HE2 LYS A 27 12.003 14.071 8.923 1.00 1.93 H new ATOM 0 HE3 LYS A 27 13.309 14.384 10.049 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 12.862 12.281 10.663 1.00 2.31 H new ATOM 0 HZ2 LYS A 27 11.663 13.008 11.621 1.00 2.31 H new ATOM 0 HZ3 LYS A 27 11.253 12.326 10.121 1.00 2.31 H new ATOM 323 N LYS A 28 6.506 15.113 6.915 1.00 0.77 N ATOM 324 CA LYS A 28 5.854 15.702 5.744 1.00 0.80 C ATOM 325 C LYS A 28 6.835 15.993 4.614 1.00 0.71 C ATOM 326 O LYS A 28 6.519 16.736 3.684 1.00 0.75 O ATOM 327 CB LYS A 28 5.106 16.967 6.145 1.00 0.96 C ATOM 328 CG LYS A 28 3.986 16.699 7.132 1.00 1.07 C ATOM 329 CD LYS A 28 3.403 17.986 7.678 1.00 1.24 C ATOM 330 CE LYS A 28 2.214 17.717 8.584 1.00 1.77 C ATOM 331 NZ LYS A 28 1.620 18.973 9.115 1.00 2.39 N ATOM 0 H LYS A 28 6.153 14.189 7.163 1.00 0.77 H new ATOM 0 HA LYS A 28 5.145 14.968 5.362 1.00 0.80 H new ATOM 0 HB2 LYS A 28 5.809 17.676 6.583 1.00 0.96 H new ATOM 0 HB3 LYS A 28 4.693 17.438 5.253 1.00 0.96 H new ATOM 0 HG2 LYS A 28 3.201 16.122 6.644 1.00 1.07 H new ATOM 0 HG3 LYS A 28 4.363 16.092 7.955 1.00 1.07 H new ATOM 0 HD2 LYS A 28 4.169 18.528 8.233 1.00 1.24 H new ATOM 0 HD3 LYS A 28 3.095 18.627 6.852 1.00 1.24 H new ATOM 0 HE2 LYS A 28 1.455 17.163 8.031 1.00 1.77 H new ATOM 0 HE3 LYS A 28 2.528 17.085 9.415 1.00 1.77 H new ATOM 0 HZ1 LYS A 28 0.812 18.743 9.728 1.00 2.39 H new ATOM 0 HZ2 LYS A 28 2.336 19.490 9.665 1.00 2.39 H new ATOM 0 HZ3 LYS A 28 1.297 19.566 8.324 1.00 2.39 H new ATOM 345 N ASP A 29 8.014 15.390 4.678 1.00 0.64 N ATOM 346 CA ASP A 29 8.954 15.480 3.578 1.00 0.59 C ATOM 347 C ASP A 29 8.707 14.305 2.656 1.00 0.50 C ATOM 348 O ASP A 29 9.553 13.425 2.505 1.00 0.47 O ATOM 349 CB ASP A 29 10.404 15.473 4.052 1.00 0.60 C ATOM 350 CG ASP A 29 11.323 16.147 3.043 1.00 0.93 C ATOM 351 OD1 ASP A 29 11.170 15.897 1.828 1.00 1.62 O ATOM 352 OD2 ASP A 29 12.202 16.935 3.457 1.00 1.39 O ATOM 0 H ASP A 29 8.337 14.839 5.473 1.00 0.64 H new ATOM 0 HA ASP A 29 8.798 16.427 3.061 1.00 0.59 H new ATOM 0 HB2 ASP A 29 10.477 15.985 5.011 1.00 0.60 H new ATOM 0 HB3 ASP A 29 10.730 14.446 4.214 1.00 0.60 H new ATOM 357 N PHE A 30 7.524 14.287 2.063 1.00 0.49 N ATOM 358 CA PHE A 30 7.071 13.150 1.280 1.00 0.44 C ATOM 359 C PHE A 30 7.943 12.937 0.049 1.00 0.42 C ATOM 360 O PHE A 30 8.058 11.820 -0.450 1.00 0.43 O ATOM 361 CB PHE A 30 5.593 13.321 0.912 1.00 0.45 C ATOM 362 CG PHE A 30 4.710 13.352 2.130 1.00 0.50 C ATOM 363 CD1 PHE A 30 4.415 12.193 2.832 1.00 0.52 C ATOM 364 CD2 PHE A 30 4.156 14.544 2.559 1.00 0.64 C ATOM 365 CE1 PHE A 30 3.589 12.226 3.937 1.00 0.58 C ATOM 366 CE2 PHE A 30 3.329 14.583 3.664 1.00 0.71 C ATOM 367 CZ PHE A 30 3.114 13.396 4.404 1.00 0.66 C ATOM 0 H PHE A 30 6.855 15.055 2.111 1.00 0.49 H new ATOM 0 HA PHE A 30 7.167 12.250 1.888 1.00 0.44 H new ATOM 0 HB2 PHE A 30 5.464 14.244 0.347 1.00 0.45 H new ATOM 0 HB3 PHE A 30 5.284 12.503 0.261 1.00 0.45 H new ATOM 0 HD1 PHE A 30 4.837 11.253 2.510 1.00 0.52 H new ATOM 0 HD2 PHE A 30 4.373 15.456 2.023 1.00 0.64 H new ATOM 0 HE1 PHE A 30 3.321 11.304 4.432 1.00 0.58 H new ATOM 0 HE2 PHE A 30 2.853 15.506 3.959 1.00 0.71 H new ATOM 0 HZ PHE A 30 2.572 13.429 5.338 1.00 0.66 H new ATOM 377 N ASP A 31 8.587 13.995 -0.418 1.00 0.46 N ATOM 378 CA ASP A 31 9.529 13.876 -1.522 1.00 0.48 C ATOM 379 C ASP A 31 10.740 13.062 -1.084 1.00 0.44 C ATOM 380 O ASP A 31 11.108 12.080 -1.725 1.00 0.42 O ATOM 381 CB ASP A 31 9.986 15.252 -2.008 1.00 0.57 C ATOM 382 CG ASP A 31 8.844 16.116 -2.498 1.00 1.30 C ATOM 383 OD1 ASP A 31 8.467 15.992 -3.683 1.00 1.93 O ATOM 384 OD2 ASP A 31 8.307 16.908 -1.697 1.00 1.61 O ATOM 0 H ASP A 31 8.476 14.941 -0.053 1.00 0.46 H new ATOM 0 HA ASP A 31 9.024 13.370 -2.345 1.00 0.48 H new ATOM 0 HB2 ASP A 31 10.500 15.766 -1.196 1.00 0.57 H new ATOM 0 HB3 ASP A 31 10.709 15.125 -2.813 1.00 0.57 H new ATOM 389 N THR A 32 11.345 13.470 0.026 1.00 0.45 N ATOM 390 CA THR A 32 12.495 12.767 0.586 1.00 0.45 C ATOM 391 C THR A 32 12.092 11.374 1.074 1.00 0.39 C ATOM 392 O THR A 32 12.870 10.418 0.988 1.00 0.38 O ATOM 393 CB THR A 32 13.104 13.583 1.745 1.00 0.50 C ATOM 394 OG1 THR A 32 13.517 14.869 1.264 1.00 0.57 O ATOM 395 CG2 THR A 32 14.286 12.876 2.377 1.00 0.52 C ATOM 0 H THR A 32 11.056 14.290 0.560 1.00 0.45 H new ATOM 0 HA THR A 32 13.244 12.653 -0.197 1.00 0.45 H new ATOM 0 HB THR A 32 12.335 13.696 2.510 1.00 0.50 H new ATOM 0 HG1 THR A 32 12.728 15.427 1.102 1.00 0.57 H new ATOM 0 HG21 THR A 32 14.684 13.486 3.188 1.00 0.52 H new ATOM 0 HG22 THR A 32 13.965 11.912 2.772 1.00 0.52 H new ATOM 0 HG23 THR A 32 15.061 12.721 1.626 1.00 0.52 H new ATOM 403 N ALA A 33 10.868 11.266 1.572 1.00 0.38 N ATOM 404 CA ALA A 33 10.322 9.991 2.002 1.00 0.36 C ATOM 405 C ALA A 33 10.287 9.009 0.846 1.00 0.30 C ATOM 406 O ALA A 33 10.870 7.925 0.914 1.00 0.28 O ATOM 407 CB ALA A 33 8.926 10.178 2.563 1.00 0.39 C ATOM 0 H ALA A 33 10.232 12.055 1.688 1.00 0.38 H new ATOM 0 HA ALA A 33 10.967 9.589 2.783 1.00 0.36 H new ATOM 0 HB1 ALA A 33 8.530 9.214 2.881 1.00 0.39 H new ATOM 0 HB2 ALA A 33 8.965 10.854 3.417 1.00 0.39 H new ATOM 0 HB3 ALA A 33 8.279 10.601 1.795 1.00 0.39 H new ATOM 413 N LEU A 34 9.615 9.414 -0.223 1.00 0.29 N ATOM 414 CA LEU A 34 9.473 8.583 -1.405 1.00 0.26 C ATOM 415 C LEU A 34 10.843 8.336 -2.036 1.00 0.26 C ATOM 416 O LEU A 34 11.080 7.298 -2.651 1.00 0.26 O ATOM 417 CB LEU A 34 8.529 9.264 -2.398 1.00 0.28 C ATOM 418 CG LEU A 34 7.725 8.335 -3.312 1.00 0.33 C ATOM 419 CD1 LEU A 34 8.157 8.494 -4.757 1.00 0.81 C ATOM 420 CD2 LEU A 34 7.853 6.887 -2.872 1.00 0.53 C ATOM 0 H LEU A 34 9.156 10.322 -0.293 1.00 0.29 H new ATOM 0 HA LEU A 34 9.048 7.619 -1.126 1.00 0.26 H new ATOM 0 HB2 LEU A 34 7.829 9.882 -1.836 1.00 0.28 H new ATOM 0 HB3 LEU A 34 9.116 9.936 -3.024 1.00 0.28 H new ATOM 0 HG LEU A 34 6.675 8.619 -3.234 1.00 0.33 H new ATOM 0 HD11 LEU A 34 7.572 7.824 -5.387 1.00 0.81 H new ATOM 0 HD12 LEU A 34 7.995 9.524 -5.074 1.00 0.81 H new ATOM 0 HD13 LEU A 34 9.215 8.248 -4.850 1.00 0.81 H new ATOM 0 HD21 LEU A 34 7.272 6.251 -3.540 1.00 0.53 H new ATOM 0 HD22 LEU A 34 8.900 6.587 -2.907 1.00 0.53 H new ATOM 0 HD23 LEU A 34 7.479 6.782 -1.854 1.00 0.53 H new ATOM 432 N LYS A 35 11.745 9.291 -1.848 1.00 0.31 N ATOM 433 CA LYS A 35 13.098 9.198 -2.376 1.00 0.33 C ATOM 434 C LYS A 35 13.840 7.998 -1.786 1.00 0.29 C ATOM 435 O LYS A 35 14.396 7.179 -2.522 1.00 0.30 O ATOM 436 CB LYS A 35 13.864 10.485 -2.069 1.00 0.40 C ATOM 437 CG LYS A 35 14.692 10.998 -3.234 1.00 0.49 C ATOM 438 CD LYS A 35 13.814 11.485 -4.378 1.00 0.53 C ATOM 439 CE LYS A 35 13.143 12.811 -4.047 1.00 0.60 C ATOM 440 NZ LYS A 35 14.135 13.899 -3.839 1.00 1.41 N ATOM 0 H LYS A 35 11.559 10.148 -1.327 1.00 0.31 H new ATOM 0 HA LYS A 35 13.034 9.060 -3.455 1.00 0.33 H new ATOM 0 HB2 LYS A 35 13.154 11.257 -1.772 1.00 0.40 H new ATOM 0 HB3 LYS A 35 14.521 10.311 -1.217 1.00 0.40 H new ATOM 0 HG2 LYS A 35 15.332 11.812 -2.895 1.00 0.49 H new ATOM 0 HG3 LYS A 35 15.348 10.204 -3.591 1.00 0.49 H new ATOM 0 HD2 LYS A 35 14.418 11.598 -5.278 1.00 0.53 H new ATOM 0 HD3 LYS A 35 13.053 10.736 -4.597 1.00 0.53 H new ATOM 0 HE2 LYS A 35 12.466 13.087 -4.856 1.00 0.60 H new ATOM 0 HE3 LYS A 35 12.536 12.696 -3.149 1.00 0.60 H new ATOM 0 HZ1 LYS A 35 13.668 14.821 -3.953 1.00 1.41 H new ATOM 0 HZ2 LYS A 35 14.532 13.828 -2.880 1.00 1.41 H new ATOM 0 HZ3 LYS A 35 14.900 13.810 -4.538 1.00 1.41 H new ATOM 454 N HIS A 36 13.847 7.888 -0.459 1.00 0.29 N ATOM 455 CA HIS A 36 14.513 6.762 0.202 1.00 0.29 C ATOM 456 C HIS A 36 13.718 5.489 0.008 1.00 0.25 C ATOM 457 O HIS A 36 14.279 4.401 -0.057 1.00 0.27 O ATOM 458 CB HIS A 36 14.688 6.988 1.700 1.00 0.38 C ATOM 459 CG HIS A 36 15.638 8.073 2.065 1.00 0.38 C ATOM 460 ND1 HIS A 36 17.007 7.922 2.036 1.00 0.43 N ATOM 461 CD2 HIS A 36 15.403 9.327 2.498 1.00 0.40 C ATOM 462 CE1 HIS A 36 17.578 9.042 2.439 1.00 0.47 C ATOM 463 NE2 HIS A 36 16.625 9.911 2.724 1.00 0.46 N ATOM 0 H HIS A 36 13.406 8.554 0.175 1.00 0.29 H new ATOM 0 HA HIS A 36 15.498 6.676 -0.257 1.00 0.29 H new ATOM 0 HB2 HIS A 36 13.715 7.217 2.134 1.00 0.38 H new ATOM 0 HB3 HIS A 36 15.029 6.058 2.155 1.00 0.38 H new ATOM 0 HD1 HIS A 36 17.502 7.078 1.748 1.00 0.43 H new ATOM 0 HD2 HIS A 36 14.436 9.786 2.640 1.00 0.40 H new ATOM 0 HE1 HIS A 36 18.640 9.217 2.521 1.00 0.47 H new ATOM 472 N TYR A 37 12.407 5.628 -0.062 1.00 0.22 N ATOM 473 CA TYR A 37 11.537 4.489 -0.276 1.00 0.21 C ATOM 474 C TYR A 37 11.816 3.841 -1.631 1.00 0.21 C ATOM 475 O TYR A 37 11.976 2.623 -1.723 1.00 0.24 O ATOM 476 CB TYR A 37 10.079 4.920 -0.150 1.00 0.22 C ATOM 477 CG TYR A 37 9.511 4.734 1.233 1.00 0.23 C ATOM 478 CD1 TYR A 37 9.674 3.534 1.901 1.00 0.33 C ATOM 479 CD2 TYR A 37 8.792 5.740 1.859 1.00 0.37 C ATOM 480 CE1 TYR A 37 9.139 3.341 3.152 1.00 0.40 C ATOM 481 CE2 TYR A 37 8.241 5.551 3.110 1.00 0.41 C ATOM 482 CZ TYR A 37 8.421 4.345 3.751 1.00 0.36 C ATOM 483 OH TYR A 37 7.864 4.129 4.987 1.00 0.48 O ATOM 0 H TYR A 37 11.922 6.521 0.027 1.00 0.22 H new ATOM 0 HA TYR A 37 11.738 3.739 0.489 1.00 0.21 H new ATOM 0 HB2 TYR A 37 9.994 5.970 -0.430 1.00 0.22 H new ATOM 0 HB3 TYR A 37 9.478 4.351 -0.860 1.00 0.22 H new ATOM 0 HD1 TYR A 37 10.231 2.736 1.432 1.00 0.33 H new ATOM 0 HD2 TYR A 37 8.661 6.688 1.359 1.00 0.37 H new ATOM 0 HE1 TYR A 37 9.284 2.400 3.663 1.00 0.40 H new ATOM 0 HE2 TYR A 37 7.675 6.340 3.582 1.00 0.41 H new ATOM 0 HH TYR A 37 8.074 3.220 5.286 1.00 0.48 H new ATOM 493 N ASP A 38 11.897 4.660 -2.675 1.00 0.25 N ATOM 494 CA ASP A 38 12.312 4.185 -3.994 1.00 0.31 C ATOM 495 C ASP A 38 13.721 3.619 -3.931 1.00 0.30 C ATOM 496 O ASP A 38 14.040 2.638 -4.602 1.00 0.32 O ATOM 497 CB ASP A 38 12.292 5.319 -5.014 1.00 0.42 C ATOM 498 CG ASP A 38 11.066 5.307 -5.899 1.00 0.78 C ATOM 499 OD1 ASP A 38 10.991 4.463 -6.814 1.00 0.68 O ATOM 500 OD2 ASP A 38 10.151 6.124 -5.662 1.00 1.51 O ATOM 0 H ASP A 38 11.681 5.656 -2.635 1.00 0.25 H new ATOM 0 HA ASP A 38 11.610 3.410 -4.300 1.00 0.31 H new ATOM 0 HB2 ASP A 38 12.342 6.272 -4.488 1.00 0.42 H new ATOM 0 HB3 ASP A 38 13.183 5.252 -5.639 1.00 0.42 H new ATOM 505 N LYS A 39 14.564 4.261 -3.128 1.00 0.30 N ATOM 506 CA LYS A 39 15.944 3.832 -2.946 1.00 0.32 C ATOM 507 C LYS A 39 15.993 2.427 -2.357 1.00 0.29 C ATOM 508 O LYS A 39 16.725 1.573 -2.841 1.00 0.32 O ATOM 509 CB LYS A 39 16.686 4.813 -2.038 1.00 0.35 C ATOM 510 CG LYS A 39 18.173 4.529 -1.918 1.00 0.41 C ATOM 511 CD LYS A 39 18.863 4.611 -3.268 1.00 0.47 C ATOM 512 CE LYS A 39 20.356 4.389 -3.138 1.00 0.54 C ATOM 513 NZ LYS A 39 21.018 5.483 -2.380 1.00 1.25 N ATOM 0 H LYS A 39 14.310 5.089 -2.588 1.00 0.30 H new ATOM 0 HA LYS A 39 16.433 3.816 -3.920 1.00 0.32 H new ATOM 0 HB2 LYS A 39 16.548 5.824 -2.421 1.00 0.35 H new ATOM 0 HB3 LYS A 39 16.238 4.784 -1.045 1.00 0.35 H new ATOM 0 HG2 LYS A 39 18.627 5.243 -1.231 1.00 0.41 H new ATOM 0 HG3 LYS A 39 18.322 3.537 -1.491 1.00 0.41 H new ATOM 0 HD2 LYS A 39 18.440 3.865 -3.941 1.00 0.47 H new ATOM 0 HD3 LYS A 39 18.676 5.587 -3.716 1.00 0.47 H new ATOM 0 HE2 LYS A 39 20.539 3.439 -2.637 1.00 0.54 H new ATOM 0 HE3 LYS A 39 20.799 4.316 -4.131 1.00 0.54 H new ATOM 0 HZ1 LYS A 39 22.049 5.414 -2.500 1.00 1.25 H new ATOM 0 HZ2 LYS A 39 20.689 6.402 -2.738 1.00 1.25 H new ATOM 0 HZ3 LYS A 39 20.780 5.399 -1.371 1.00 1.25 H new ATOM 527 N ALA A 40 15.192 2.191 -1.325 1.00 0.25 N ATOM 528 CA ALA A 40 15.114 0.880 -0.693 1.00 0.24 C ATOM 529 C ALA A 40 14.691 -0.180 -1.699 1.00 0.22 C ATOM 530 O ALA A 40 15.147 -1.316 -1.638 1.00 0.26 O ATOM 531 CB ALA A 40 14.149 0.914 0.484 1.00 0.22 C ATOM 0 H ALA A 40 14.584 2.895 -0.906 1.00 0.25 H new ATOM 0 HA ALA A 40 16.105 0.620 -0.321 1.00 0.24 H new ATOM 0 HB1 ALA A 40 14.102 -0.073 0.945 1.00 0.22 H new ATOM 0 HB2 ALA A 40 14.496 1.641 1.218 1.00 0.22 H new ATOM 0 HB3 ALA A 40 13.157 1.198 0.133 1.00 0.22 H new ATOM 537 N LYS A 41 13.829 0.205 -2.628 1.00 0.23 N ATOM 538 CA LYS A 41 13.398 -0.694 -3.690 1.00 0.26 C ATOM 539 C LYS A 41 14.552 -0.986 -4.649 1.00 0.31 C ATOM 540 O LYS A 41 14.637 -2.065 -5.229 1.00 0.37 O ATOM 541 CB LYS A 41 12.234 -0.078 -4.456 1.00 0.29 C ATOM 542 CG LYS A 41 11.688 -0.960 -5.564 1.00 0.41 C ATOM 543 CD LYS A 41 10.597 -0.246 -6.338 1.00 0.78 C ATOM 544 CE LYS A 41 9.958 -1.152 -7.376 1.00 0.89 C ATOM 545 NZ LYS A 41 10.952 -1.690 -8.344 1.00 1.37 N ATOM 0 H LYS A 41 13.413 1.135 -2.669 1.00 0.23 H new ATOM 0 HA LYS A 41 13.074 -1.631 -3.237 1.00 0.26 H new ATOM 0 HB2 LYS A 41 11.430 0.147 -3.755 1.00 0.29 H new ATOM 0 HB3 LYS A 41 12.557 0.870 -4.886 1.00 0.29 H new ATOM 0 HG2 LYS A 41 12.495 -1.241 -6.241 1.00 0.41 H new ATOM 0 HG3 LYS A 41 11.293 -1.882 -5.138 1.00 0.41 H new ATOM 0 HD2 LYS A 41 9.833 0.110 -5.646 1.00 0.78 H new ATOM 0 HD3 LYS A 41 11.015 0.632 -6.830 1.00 0.78 H new ATOM 0 HE2 LYS A 41 9.458 -1.980 -6.874 1.00 0.89 H new ATOM 0 HE3 LYS A 41 9.191 -0.597 -7.917 1.00 0.89 H new ATOM 0 HZ1 LYS A 41 10.456 -2.190 -9.109 1.00 1.37 H new ATOM 0 HZ2 LYS A 41 11.506 -0.906 -8.744 1.00 1.37 H new ATOM 0 HZ3 LYS A 41 11.590 -2.351 -7.856 1.00 1.37 H new ATOM 559 N GLU A 42 15.432 -0.010 -4.823 1.00 0.32 N ATOM 560 CA GLU A 42 16.610 -0.182 -5.664 1.00 0.38 C ATOM 561 C GLU A 42 17.642 -1.052 -4.961 1.00 0.40 C ATOM 562 O GLU A 42 18.488 -1.680 -5.602 1.00 0.50 O ATOM 563 CB GLU A 42 17.220 1.176 -6.011 1.00 0.43 C ATOM 564 CG GLU A 42 16.323 2.039 -6.879 1.00 1.11 C ATOM 565 CD GLU A 42 16.066 1.421 -8.238 1.00 1.81 C ATOM 566 OE1 GLU A 42 15.094 0.651 -8.370 1.00 2.78 O ATOM 567 OE2 GLU A 42 16.828 1.705 -9.183 1.00 2.03 O ATOM 0 H GLU A 42 15.353 0.911 -4.392 1.00 0.32 H new ATOM 0 HA GLU A 42 16.304 -0.676 -6.586 1.00 0.38 H new ATOM 0 HB2 GLU A 42 17.443 1.711 -5.088 1.00 0.43 H new ATOM 0 HB3 GLU A 42 18.168 1.019 -6.526 1.00 0.43 H new ATOM 0 HG2 GLU A 42 15.373 2.198 -6.369 1.00 1.11 H new ATOM 0 HG3 GLU A 42 16.782 3.019 -7.010 1.00 1.11 H new ATOM 574 N LEU A 43 17.566 -1.079 -3.640 1.00 0.36 N ATOM 575 CA LEU A 43 18.470 -1.880 -2.834 1.00 0.39 C ATOM 576 C LEU A 43 17.951 -3.305 -2.708 1.00 0.39 C ATOM 577 O LEU A 43 18.712 -4.263 -2.845 1.00 0.49 O ATOM 578 CB LEU A 43 18.671 -1.244 -1.463 1.00 0.39 C ATOM 579 CG LEU A 43 19.795 -0.211 -1.397 1.00 0.43 C ATOM 580 CD1 LEU A 43 19.578 0.858 -2.430 1.00 0.42 C ATOM 581 CD2 LEU A 43 19.865 0.411 -0.027 1.00 0.45 C ATOM 0 H LEU A 43 16.881 -0.550 -3.101 1.00 0.36 H new ATOM 0 HA LEU A 43 19.439 -1.918 -3.331 1.00 0.39 H new ATOM 0 HB2 LEU A 43 17.739 -0.767 -1.159 1.00 0.39 H new ATOM 0 HB3 LEU A 43 18.877 -2.032 -0.739 1.00 0.39 H new ATOM 0 HG LEU A 43 20.738 -0.718 -1.599 1.00 0.43 H new ATOM 0 HD11 LEU A 43 20.385 1.588 -2.373 1.00 0.42 H new ATOM 0 HD12 LEU A 43 19.565 0.408 -3.423 1.00 0.42 H new ATOM 0 HD13 LEU A 43 18.626 1.355 -2.245 1.00 0.42 H new ATOM 0 HD21 LEU A 43 20.672 1.144 -0.001 1.00 0.45 H new ATOM 0 HD22 LEU A 43 18.919 0.904 0.197 1.00 0.45 H new ATOM 0 HD23 LEU A 43 20.055 -0.364 0.715 1.00 0.45 H new ATOM 593 N ASP A 44 16.655 -3.445 -2.451 1.00 0.32 N ATOM 594 CA ASP A 44 16.021 -4.752 -2.490 1.00 0.33 C ATOM 595 C ASP A 44 14.612 -4.652 -3.071 1.00 0.32 C ATOM 596 O ASP A 44 13.653 -4.334 -2.367 1.00 0.33 O ATOM 597 CB ASP A 44 15.981 -5.418 -1.112 1.00 0.40 C ATOM 598 CG ASP A 44 15.603 -6.888 -1.190 1.00 0.46 C ATOM 599 OD1 ASP A 44 14.397 -7.192 -1.307 1.00 0.52 O ATOM 600 OD2 ASP A 44 16.503 -7.753 -1.131 1.00 1.11 O ATOM 0 H ASP A 44 16.030 -2.674 -2.215 1.00 0.32 H new ATOM 0 HA ASP A 44 16.630 -5.381 -3.139 1.00 0.33 H new ATOM 0 HB2 ASP A 44 16.957 -5.321 -0.636 1.00 0.40 H new ATOM 0 HB3 ASP A 44 15.265 -4.894 -0.479 1.00 0.40 H new ATOM 605 N PRO A 45 14.479 -4.922 -4.378 1.00 0.41 N ATOM 606 CA PRO A 45 13.203 -4.824 -5.098 1.00 0.49 C ATOM 607 C PRO A 45 12.244 -5.959 -4.767 1.00 0.47 C ATOM 608 O PRO A 45 11.046 -5.872 -5.034 1.00 0.59 O ATOM 609 CB PRO A 45 13.629 -4.917 -6.562 1.00 0.64 C ATOM 610 CG PRO A 45 14.867 -5.738 -6.525 1.00 0.63 C ATOM 611 CD PRO A 45 15.574 -5.338 -5.266 1.00 0.52 C ATOM 0 HA PRO A 45 12.663 -3.914 -4.837 1.00 0.49 H new ATOM 0 HB2 PRO A 45 12.858 -5.386 -7.173 1.00 0.64 H new ATOM 0 HB3 PRO A 45 13.817 -3.931 -6.986 1.00 0.64 H new ATOM 0 HG2 PRO A 45 14.632 -6.802 -6.522 1.00 0.63 H new ATOM 0 HG3 PRO A 45 15.488 -5.551 -7.401 1.00 0.63 H new ATOM 0 HD2 PRO A 45 16.141 -6.167 -4.843 1.00 0.52 H new ATOM 0 HD3 PRO A 45 16.279 -4.526 -5.442 1.00 0.52 H new ATOM 619 N THR A 46 12.780 -7.024 -4.192 1.00 0.39 N ATOM 620 CA THR A 46 11.989 -8.199 -3.885 1.00 0.40 C ATOM 621 C THR A 46 11.234 -8.025 -2.575 1.00 0.40 C ATOM 622 O THR A 46 10.271 -8.741 -2.295 1.00 0.42 O ATOM 623 CB THR A 46 12.872 -9.455 -3.824 1.00 0.42 C ATOM 624 OG1 THR A 46 14.003 -9.238 -2.965 1.00 0.45 O ATOM 625 CG2 THR A 46 13.358 -9.831 -5.214 1.00 0.46 C ATOM 0 H THR A 46 13.763 -7.096 -3.929 1.00 0.39 H new ATOM 0 HA THR A 46 11.262 -8.324 -4.687 1.00 0.40 H new ATOM 0 HB THR A 46 12.270 -10.270 -3.421 1.00 0.42 H new ATOM 0 HG1 THR A 46 13.825 -8.475 -2.377 1.00 0.45 H new ATOM 0 HG21 THR A 46 13.982 -10.723 -5.152 1.00 0.46 H new ATOM 0 HG22 THR A 46 12.501 -10.031 -5.857 1.00 0.46 H new ATOM 0 HG23 THR A 46 13.940 -9.009 -5.631 1.00 0.46 H new ATOM 633 N ASN A 47 11.673 -7.064 -1.777 1.00 0.52 N ATOM 634 CA ASN A 47 11.001 -6.748 -0.532 1.00 0.56 C ATOM 635 C ASN A 47 9.803 -5.868 -0.815 1.00 0.56 C ATOM 636 O ASN A 47 9.903 -4.637 -0.825 1.00 0.89 O ATOM 637 CB ASN A 47 11.954 -6.054 0.434 1.00 0.78 C ATOM 638 CG ASN A 47 11.428 -6.025 1.853 1.00 1.51 C ATOM 639 OD1 ASN A 47 11.611 -6.971 2.615 1.00 2.13 O ATOM 640 ND2 ASN A 47 10.789 -4.931 2.224 1.00 1.47 N ATOM 0 H ASN A 47 12.493 -6.490 -1.972 1.00 0.52 H new ATOM 0 HA ASN A 47 10.665 -7.674 -0.066 1.00 0.56 H new ATOM 0 HB2 ASN A 47 12.917 -6.565 0.418 1.00 0.78 H new ATOM 0 HB3 ASN A 47 12.129 -5.033 0.095 1.00 0.78 H new ATOM 0 HD21 ASN A 47 10.427 -4.849 3.174 1.00 1.47 H new ATOM 0 HD22 ASN A 47 10.658 -4.167 1.561 1.00 1.47 H new ATOM 647 N MET A 48 8.670 -6.519 -1.045 1.00 0.29 N ATOM 648 CA MET A 48 7.436 -5.841 -1.412 1.00 0.26 C ATOM 649 C MET A 48 7.078 -4.744 -0.413 1.00 0.24 C ATOM 650 O MET A 48 6.426 -3.763 -0.767 1.00 0.24 O ATOM 651 CB MET A 48 6.290 -6.841 -1.489 1.00 0.22 C ATOM 652 CG MET A 48 5.809 -7.331 -0.134 1.00 0.19 C ATOM 653 SD MET A 48 4.306 -8.303 -0.258 1.00 1.05 S ATOM 654 CE MET A 48 3.223 -7.109 -1.037 1.00 0.27 C ATOM 0 H MET A 48 8.582 -7.533 -0.982 1.00 0.29 H new ATOM 0 HA MET A 48 7.594 -5.381 -2.387 1.00 0.26 H new ATOM 0 HB2 MET A 48 5.454 -6.381 -2.016 1.00 0.22 H new ATOM 0 HB3 MET A 48 6.608 -7.698 -2.083 1.00 0.22 H new ATOM 0 HG2 MET A 48 6.590 -7.932 0.331 1.00 0.19 H new ATOM 0 HG3 MET A 48 5.633 -6.476 0.518 1.00 0.19 H new ATOM 0 HE1 MET A 48 2.366 -6.918 -0.390 1.00 0.27 H new ATOM 0 HE2 MET A 48 3.766 -6.179 -1.203 1.00 0.27 H new ATOM 0 HE3 MET A 48 2.876 -7.502 -1.993 1.00 0.27 H new ATOM 664 N THR A 49 7.513 -4.921 0.830 1.00 0.24 N ATOM 665 CA THR A 49 7.229 -3.975 1.892 1.00 0.26 C ATOM 666 C THR A 49 7.677 -2.569 1.519 1.00 0.28 C ATOM 667 O THR A 49 6.965 -1.597 1.775 1.00 0.39 O ATOM 668 CB THR A 49 7.922 -4.400 3.195 1.00 0.29 C ATOM 669 OG1 THR A 49 7.625 -5.772 3.475 1.00 0.71 O ATOM 670 CG2 THR A 49 7.486 -3.525 4.356 1.00 0.64 C ATOM 0 H THR A 49 8.070 -5.723 1.124 1.00 0.24 H new ATOM 0 HA THR A 49 6.149 -3.969 2.040 1.00 0.26 H new ATOM 0 HB THR A 49 8.998 -4.280 3.067 1.00 0.29 H new ATOM 0 HG1 THR A 49 8.070 -6.040 4.306 1.00 0.71 H new ATOM 0 HG21 THR A 49 7.992 -3.848 5.266 1.00 0.64 H new ATOM 0 HG22 THR A 49 7.744 -2.487 4.146 1.00 0.64 H new ATOM 0 HG23 THR A 49 6.408 -3.610 4.491 1.00 0.64 H new ATOM 678 N TYR A 50 8.835 -2.468 0.878 1.00 0.23 N ATOM 679 CA TYR A 50 9.363 -1.171 0.491 1.00 0.23 C ATOM 680 C TYR A 50 8.418 -0.518 -0.488 1.00 0.26 C ATOM 681 O TYR A 50 8.013 0.627 -0.313 1.00 0.42 O ATOM 682 CB TYR A 50 10.749 -1.297 -0.141 1.00 0.21 C ATOM 683 CG TYR A 50 11.775 -1.912 0.773 1.00 0.22 C ATOM 684 CD1 TYR A 50 11.744 -1.693 2.144 1.00 0.28 C ATOM 685 CD2 TYR A 50 12.779 -2.718 0.264 1.00 0.25 C ATOM 686 CE1 TYR A 50 12.677 -2.265 2.977 1.00 0.35 C ATOM 687 CE2 TYR A 50 13.718 -3.289 1.091 1.00 0.31 C ATOM 688 CZ TYR A 50 13.664 -3.062 2.448 1.00 0.34 C ATOM 689 OH TYR A 50 14.589 -3.650 3.279 1.00 0.44 O ATOM 0 H TYR A 50 9.420 -3.262 0.618 1.00 0.23 H new ATOM 0 HA TYR A 50 9.456 -0.559 1.388 1.00 0.23 H new ATOM 0 HB2 TYR A 50 10.673 -1.900 -1.046 1.00 0.21 H new ATOM 0 HB3 TYR A 50 11.092 -0.308 -0.445 1.00 0.21 H new ATOM 0 HD1 TYR A 50 10.974 -1.063 2.563 1.00 0.28 H new ATOM 0 HD2 TYR A 50 12.826 -2.901 -0.799 1.00 0.25 H new ATOM 0 HE1 TYR A 50 12.634 -2.089 4.042 1.00 0.35 H new ATOM 0 HE2 TYR A 50 14.496 -3.914 0.677 1.00 0.31 H new ATOM 0 HH TYR A 50 15.060 -4.359 2.794 1.00 0.44 H new ATOM 699 N ILE A 51 8.028 -1.292 -1.485 1.00 0.18 N ATOM 700 CA ILE A 51 7.190 -0.810 -2.563 1.00 0.19 C ATOM 701 C ILE A 51 5.827 -0.351 -2.046 1.00 0.19 C ATOM 702 O ILE A 51 5.312 0.688 -2.459 1.00 0.22 O ATOM 703 CB ILE A 51 6.997 -1.906 -3.628 1.00 0.20 C ATOM 704 CG1 ILE A 51 8.358 -2.400 -4.135 1.00 0.25 C ATOM 705 CG2 ILE A 51 6.148 -1.384 -4.780 1.00 0.21 C ATOM 706 CD1 ILE A 51 8.275 -3.672 -4.948 1.00 0.33 C ATOM 0 H ILE A 51 8.286 -2.275 -1.568 1.00 0.18 H new ATOM 0 HA ILE A 51 7.694 0.045 -3.013 1.00 0.19 H new ATOM 0 HB ILE A 51 6.474 -2.747 -3.174 1.00 0.20 H new ATOM 0 HG12 ILE A 51 8.815 -1.619 -4.743 1.00 0.25 H new ATOM 0 HG13 ILE A 51 9.016 -2.566 -3.282 1.00 0.25 H new ATOM 0 HG21 ILE A 51 6.021 -2.170 -5.524 1.00 0.21 H new ATOM 0 HG22 ILE A 51 5.171 -1.080 -4.403 1.00 0.21 H new ATOM 0 HG23 ILE A 51 6.643 -0.528 -5.238 1.00 0.21 H new ATOM 0 HD11 ILE A 51 9.274 -3.962 -5.273 1.00 0.33 H new ATOM 0 HD12 ILE A 51 7.847 -4.467 -4.337 1.00 0.33 H new ATOM 0 HD13 ILE A 51 7.644 -3.505 -5.821 1.00 0.33 H new ATOM 718 N THR A 52 5.253 -1.121 -1.129 1.00 0.20 N ATOM 719 CA THR A 52 3.956 -0.780 -0.558 1.00 0.24 C ATOM 720 C THR A 52 4.056 0.479 0.297 1.00 0.24 C ATOM 721 O THR A 52 3.083 1.216 0.458 1.00 0.27 O ATOM 722 CB THR A 52 3.389 -1.934 0.294 1.00 0.27 C ATOM 723 OG1 THR A 52 4.253 -2.220 1.402 1.00 0.28 O ATOM 724 CG2 THR A 52 3.218 -3.187 -0.539 1.00 0.26 C ATOM 0 H THR A 52 5.663 -1.982 -0.766 1.00 0.20 H new ATOM 0 HA THR A 52 3.277 -0.599 -1.391 1.00 0.24 H new ATOM 0 HB THR A 52 2.415 -1.617 0.668 1.00 0.27 H new ATOM 0 HG1 THR A 52 5.140 -1.838 1.233 1.00 0.28 H new ATOM 0 HG21 THR A 52 2.817 -3.986 0.084 1.00 0.26 H new ATOM 0 HG22 THR A 52 2.530 -2.987 -1.360 1.00 0.26 H new ATOM 0 HG23 THR A 52 4.184 -3.491 -0.942 1.00 0.26 H new ATOM 732 N ASN A 53 5.243 0.725 0.830 1.00 0.25 N ATOM 733 CA ASN A 53 5.478 1.900 1.649 1.00 0.27 C ATOM 734 C ASN A 53 5.780 3.108 0.768 1.00 0.24 C ATOM 735 O ASN A 53 5.429 4.240 1.108 1.00 0.27 O ATOM 736 CB ASN A 53 6.614 1.642 2.639 1.00 0.34 C ATOM 737 CG ASN A 53 6.212 0.740 3.798 1.00 0.81 C ATOM 738 OD1 ASN A 53 7.037 -0.001 4.333 1.00 1.59 O ATOM 739 ND2 ASN A 53 4.952 0.807 4.205 1.00 1.42 N ATOM 0 H ASN A 53 6.059 0.124 0.709 1.00 0.25 H new ATOM 0 HA ASN A 53 4.576 2.116 2.221 1.00 0.27 H new ATOM 0 HB2 ASN A 53 7.452 1.189 2.109 1.00 0.34 H new ATOM 0 HB3 ASN A 53 6.965 2.595 3.035 1.00 0.34 H new ATOM 0 HD21 ASN A 53 4.637 0.232 4.987 1.00 1.42 H new ATOM 0 HD22 ASN A 53 4.297 1.433 3.736 1.00 1.42 H new ATOM 746 N GLN A 54 6.425 2.864 -0.373 1.00 0.23 N ATOM 747 CA GLN A 54 6.573 3.894 -1.399 1.00 0.25 C ATOM 748 C GLN A 54 5.190 4.382 -1.786 1.00 0.25 C ATOM 749 O GLN A 54 4.918 5.581 -1.843 1.00 0.28 O ATOM 750 CB GLN A 54 7.244 3.337 -2.662 1.00 0.27 C ATOM 751 CG GLN A 54 8.562 2.627 -2.427 1.00 0.40 C ATOM 752 CD GLN A 54 8.992 1.805 -3.617 1.00 0.62 C ATOM 753 OE1 GLN A 54 9.624 0.769 -3.464 1.00 1.27 O ATOM 754 NE2 GLN A 54 8.661 2.265 -4.812 1.00 1.34 N ATOM 0 H GLN A 54 6.851 1.967 -0.608 1.00 0.23 H new ATOM 0 HA GLN A 54 7.192 4.695 -0.995 1.00 0.25 H new ATOM 0 HB2 GLN A 54 6.556 2.643 -3.145 1.00 0.27 H new ATOM 0 HB3 GLN A 54 7.410 4.158 -3.359 1.00 0.27 H new ATOM 0 HG2 GLN A 54 9.333 3.363 -2.200 1.00 0.40 H new ATOM 0 HG3 GLN A 54 8.472 1.980 -1.555 1.00 0.40 H new ATOM 0 HE21 GLN A 54 8.133 3.134 -4.896 1.00 1.34 H new ATOM 0 HE22 GLN A 54 8.934 1.751 -5.650 1.00 1.34 H new ATOM 763 N ALA A 55 4.320 3.408 -2.033 1.00 0.24 N ATOM 764 CA ALA A 55 2.937 3.647 -2.407 1.00 0.25 C ATOM 765 C ALA A 55 2.214 4.507 -1.372 1.00 0.26 C ATOM 766 O ALA A 55 1.335 5.294 -1.717 1.00 0.30 O ATOM 767 CB ALA A 55 2.233 2.312 -2.585 1.00 0.24 C ATOM 0 H ALA A 55 4.562 2.419 -1.977 1.00 0.24 H new ATOM 0 HA ALA A 55 2.919 4.199 -3.347 1.00 0.25 H new ATOM 0 HB1 ALA A 55 1.194 2.483 -2.866 1.00 0.24 H new ATOM 0 HB2 ALA A 55 2.731 1.740 -3.368 1.00 0.24 H new ATOM 0 HB3 ALA A 55 2.269 1.754 -1.649 1.00 0.24 H new ATOM 773 N ALA A 56 2.596 4.357 -0.107 1.00 0.26 N ATOM 774 CA ALA A 56 2.010 5.149 0.968 1.00 0.27 C ATOM 775 C ALA A 56 2.310 6.628 0.782 1.00 0.26 C ATOM 776 O ALA A 56 1.472 7.481 1.071 1.00 0.30 O ATOM 777 CB ALA A 56 2.515 4.685 2.324 1.00 0.29 C ATOM 0 H ALA A 56 3.309 3.694 0.198 1.00 0.26 H new ATOM 0 HA ALA A 56 0.930 5.005 0.930 1.00 0.27 H new ATOM 0 HB1 ALA A 56 2.063 5.292 3.108 1.00 0.29 H new ATOM 0 HB2 ALA A 56 2.246 3.639 2.474 1.00 0.29 H new ATOM 0 HB3 ALA A 56 3.599 4.790 2.364 1.00 0.29 H new ATOM 783 N VAL A 57 3.506 6.935 0.293 1.00 0.26 N ATOM 784 CA VAL A 57 3.879 8.322 0.062 1.00 0.27 C ATOM 785 C VAL A 57 3.003 8.935 -1.011 1.00 0.26 C ATOM 786 O VAL A 57 2.552 10.065 -0.874 1.00 0.30 O ATOM 787 CB VAL A 57 5.351 8.497 -0.344 1.00 0.28 C ATOM 788 CG1 VAL A 57 5.691 9.972 -0.403 1.00 0.33 C ATOM 789 CG2 VAL A 57 6.270 7.775 0.617 1.00 0.30 C ATOM 0 H VAL A 57 4.224 6.252 0.052 1.00 0.26 H new ATOM 0 HA VAL A 57 3.735 8.831 1.015 1.00 0.27 H new ATOM 0 HB VAL A 57 5.495 8.058 -1.331 1.00 0.28 H new ATOM 0 HG11 VAL A 57 6.735 10.093 -0.691 1.00 0.33 H new ATOM 0 HG12 VAL A 57 5.053 10.463 -1.137 1.00 0.33 H new ATOM 0 HG13 VAL A 57 5.530 10.422 0.577 1.00 0.33 H new ATOM 0 HG21 VAL A 57 7.305 7.916 0.306 1.00 0.30 H new ATOM 0 HG22 VAL A 57 6.135 8.177 1.621 1.00 0.30 H new ATOM 0 HG23 VAL A 57 6.033 6.711 0.618 1.00 0.30 H new ATOM 799 N TYR A 58 2.750 8.178 -2.070 1.00 0.25 N ATOM 800 CA TYR A 58 1.880 8.635 -3.147 1.00 0.27 C ATOM 801 C TYR A 58 0.509 8.981 -2.611 1.00 0.28 C ATOM 802 O TYR A 58 -0.149 9.887 -3.115 1.00 0.29 O ATOM 803 CB TYR A 58 1.756 7.573 -4.225 1.00 0.27 C ATOM 804 CG TYR A 58 3.039 7.360 -4.973 1.00 0.28 C ATOM 805 CD1 TYR A 58 3.971 6.455 -4.523 1.00 0.28 C ATOM 806 CD2 TYR A 58 3.322 8.082 -6.120 1.00 0.35 C ATOM 807 CE1 TYR A 58 5.159 6.268 -5.195 1.00 0.30 C ATOM 808 CE2 TYR A 58 4.502 7.899 -6.801 1.00 0.38 C ATOM 809 CZ TYR A 58 5.418 6.993 -6.335 1.00 0.33 C ATOM 810 OH TYR A 58 6.595 6.805 -7.015 1.00 0.37 O ATOM 0 H TYR A 58 3.135 7.243 -2.207 1.00 0.25 H new ATOM 0 HA TYR A 58 2.326 9.528 -3.584 1.00 0.27 H new ATOM 0 HB2 TYR A 58 1.444 6.633 -3.770 1.00 0.27 H new ATOM 0 HB3 TYR A 58 0.974 7.862 -4.927 1.00 0.27 H new ATOM 0 HD1 TYR A 58 3.769 5.882 -3.630 1.00 0.28 H new ATOM 0 HD2 TYR A 58 2.604 8.801 -6.486 1.00 0.35 H new ATOM 0 HE1 TYR A 58 5.883 5.556 -4.829 1.00 0.30 H new ATOM 0 HE2 TYR A 58 4.706 8.466 -7.698 1.00 0.38 H new ATOM 0 HH TYR A 58 6.618 7.395 -7.797 1.00 0.37 H new ATOM 820 N PHE A 59 0.090 8.264 -1.579 1.00 0.30 N ATOM 821 CA PHE A 59 -1.198 8.507 -0.964 1.00 0.32 C ATOM 822 C PHE A 59 -1.230 9.923 -0.400 1.00 0.35 C ATOM 823 O PHE A 59 -2.204 10.660 -0.562 1.00 0.42 O ATOM 824 CB PHE A 59 -1.468 7.477 0.129 1.00 0.33 C ATOM 825 CG PHE A 59 -2.880 7.515 0.640 1.00 0.35 C ATOM 826 CD1 PHE A 59 -3.286 8.501 1.524 1.00 0.49 C ATOM 827 CD2 PHE A 59 -3.808 6.582 0.211 1.00 0.29 C ATOM 828 CE1 PHE A 59 -4.590 8.557 1.968 1.00 0.56 C ATOM 829 CE2 PHE A 59 -5.113 6.631 0.659 1.00 0.35 C ATOM 830 CZ PHE A 59 -5.503 7.621 1.538 1.00 0.47 C ATOM 0 H PHE A 59 0.627 7.509 -1.152 1.00 0.30 H new ATOM 0 HA PHE A 59 -1.983 8.409 -1.714 1.00 0.32 H new ATOM 0 HB2 PHE A 59 -1.255 6.481 -0.259 1.00 0.33 H new ATOM 0 HB3 PHE A 59 -0.783 7.649 0.959 1.00 0.33 H new ATOM 0 HD1 PHE A 59 -2.573 9.235 1.870 1.00 0.49 H new ATOM 0 HD2 PHE A 59 -3.508 5.808 -0.481 1.00 0.29 H new ATOM 0 HE1 PHE A 59 -4.895 9.335 2.653 1.00 0.56 H new ATOM 0 HE2 PHE A 59 -5.828 5.895 0.322 1.00 0.35 H new ATOM 0 HZ PHE A 59 -6.524 7.661 1.888 1.00 0.47 H new ATOM 840 N GLU A 60 -0.134 10.300 0.235 1.00 0.34 N ATOM 841 CA GLU A 60 0.016 11.628 0.806 1.00 0.37 C ATOM 842 C GLU A 60 0.362 12.651 -0.277 1.00 0.35 C ATOM 843 O GLU A 60 0.034 13.832 -0.160 1.00 0.41 O ATOM 844 CB GLU A 60 1.094 11.591 1.878 1.00 0.39 C ATOM 845 CG GLU A 60 0.744 10.672 3.038 1.00 0.44 C ATOM 846 CD GLU A 60 -0.437 11.164 3.850 1.00 0.91 C ATOM 847 OE1 GLU A 60 -1.590 10.964 3.408 1.00 1.07 O ATOM 848 OE2 GLU A 60 -0.225 11.756 4.927 1.00 1.42 O ATOM 0 H GLU A 60 0.676 9.695 0.369 1.00 0.34 H new ATOM 0 HA GLU A 60 -0.929 11.934 1.256 1.00 0.37 H new ATOM 0 HB2 GLU A 60 2.032 11.263 1.431 1.00 0.39 H new ATOM 0 HB3 GLU A 60 1.257 12.600 2.257 1.00 0.39 H new ATOM 0 HG2 GLU A 60 0.523 9.677 2.652 1.00 0.44 H new ATOM 0 HG3 GLU A 60 1.611 10.575 3.691 1.00 0.44 H new ATOM 855 N LYS A 61 1.017 12.179 -1.332 1.00 0.32 N ATOM 856 CA LYS A 61 1.391 13.022 -2.464 1.00 0.33 C ATOM 857 C LYS A 61 0.161 13.422 -3.281 1.00 0.35 C ATOM 858 O LYS A 61 0.155 14.450 -3.960 1.00 0.40 O ATOM 859 CB LYS A 61 2.389 12.291 -3.371 1.00 0.33 C ATOM 860 CG LYS A 61 3.758 12.097 -2.738 1.00 0.48 C ATOM 861 CD LYS A 61 4.875 11.928 -3.769 1.00 0.49 C ATOM 862 CE LYS A 61 4.517 10.942 -4.873 1.00 0.36 C ATOM 863 NZ LYS A 61 4.021 11.628 -6.097 1.00 1.10 N ATOM 0 H LYS A 61 1.303 11.205 -1.428 1.00 0.32 H new ATOM 0 HA LYS A 61 1.857 13.923 -2.066 1.00 0.33 H new ATOM 0 HB2 LYS A 61 1.979 11.316 -3.637 1.00 0.33 H new ATOM 0 HB3 LYS A 61 2.503 12.852 -4.298 1.00 0.33 H new ATOM 0 HG2 LYS A 61 3.983 12.954 -2.104 1.00 0.48 H new ATOM 0 HG3 LYS A 61 3.732 11.220 -2.091 1.00 0.48 H new ATOM 0 HD2 LYS A 61 5.102 12.897 -4.214 1.00 0.49 H new ATOM 0 HD3 LYS A 61 5.780 11.589 -3.265 1.00 0.49 H new ATOM 0 HE2 LYS A 61 5.394 10.344 -5.123 1.00 0.36 H new ATOM 0 HE3 LYS A 61 3.754 10.253 -4.510 1.00 0.36 H new ATOM 0 HZ1 LYS A 61 4.278 11.070 -6.936 1.00 1.10 H new ATOM 0 HZ2 LYS A 61 2.986 11.722 -6.047 1.00 1.10 H new ATOM 0 HZ3 LYS A 61 4.451 12.572 -6.164 1.00 1.10 H new ATOM 877 N GLY A 62 -0.875 12.592 -3.219 1.00 0.34 N ATOM 878 CA GLY A 62 -2.083 12.837 -3.985 1.00 0.36 C ATOM 879 C GLY A 62 -2.204 11.889 -5.162 1.00 0.33 C ATOM 880 O GLY A 62 -3.231 11.837 -5.833 1.00 0.35 O ATOM 0 H GLY A 62 -0.899 11.748 -2.647 1.00 0.34 H new ATOM 0 HA2 GLY A 62 -2.953 12.726 -3.338 1.00 0.36 H new ATOM 0 HA3 GLY A 62 -2.083 13.866 -4.345 1.00 0.36 H new ATOM 884 N ASP A 63 -1.146 11.125 -5.389 1.00 0.31 N ATOM 885 CA ASP A 63 -1.075 10.179 -6.492 1.00 0.30 C ATOM 886 C ASP A 63 -1.723 8.855 -6.111 1.00 0.27 C ATOM 887 O ASP A 63 -1.058 7.819 -6.100 1.00 0.32 O ATOM 888 CB ASP A 63 0.384 9.929 -6.859 1.00 0.32 C ATOM 889 CG ASP A 63 1.051 11.104 -7.541 1.00 0.84 C ATOM 890 OD1 ASP A 63 1.446 12.060 -6.843 1.00 1.26 O ATOM 891 OD2 ASP A 63 1.146 11.095 -8.787 1.00 1.26 O ATOM 0 H ASP A 63 -0.307 11.144 -4.809 1.00 0.31 H new ATOM 0 HA ASP A 63 -1.609 10.603 -7.342 1.00 0.30 H new ATOM 0 HB2 ASP A 63 0.940 9.682 -5.954 1.00 0.32 H new ATOM 0 HB3 ASP A 63 0.441 9.060 -7.515 1.00 0.32 H new ATOM 896 N TYR A 64 -3.015 8.886 -5.810 1.00 0.27 N ATOM 897 CA TYR A 64 -3.718 7.714 -5.280 1.00 0.28 C ATOM 898 C TYR A 64 -3.675 6.531 -6.241 1.00 0.29 C ATOM 899 O TYR A 64 -3.598 5.381 -5.812 1.00 0.34 O ATOM 900 CB TYR A 64 -5.162 8.070 -4.928 1.00 0.29 C ATOM 901 CG TYR A 64 -5.259 9.108 -3.836 1.00 0.32 C ATOM 902 CD1 TYR A 64 -4.914 8.807 -2.524 1.00 0.33 C ATOM 903 CD2 TYR A 64 -5.712 10.391 -4.116 1.00 0.35 C ATOM 904 CE1 TYR A 64 -5.015 9.756 -1.524 1.00 0.36 C ATOM 905 CE2 TYR A 64 -5.818 11.340 -3.122 1.00 0.39 C ATOM 906 CZ TYR A 64 -5.409 11.020 -1.825 1.00 0.38 C ATOM 907 OH TYR A 64 -5.581 11.967 -0.838 1.00 0.43 O ATOM 0 H TYR A 64 -3.603 9.711 -5.923 1.00 0.27 H new ATOM 0 HA TYR A 64 -3.197 7.408 -4.373 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -5.668 8.439 -5.820 1.00 0.29 H new ATOM 0 HB3 TYR A 64 -5.687 7.168 -4.614 1.00 0.29 H new ATOM 0 HD1 TYR A 64 -4.561 7.815 -2.282 1.00 0.33 H new ATOM 0 HD2 TYR A 64 -5.985 10.649 -5.128 1.00 0.35 H new ATOM 0 HE1 TYR A 64 -4.781 9.492 -0.503 1.00 0.36 H new ATOM 0 HE2 TYR A 64 -6.213 12.320 -3.343 1.00 0.39 H new ATOM 0 HH TYR A 64 -5.864 12.813 -1.243 1.00 0.43 H new ATOM 917 N ASN A 65 -3.688 6.803 -7.535 1.00 0.31 N ATOM 918 CA ASN A 65 -3.627 5.730 -8.517 1.00 0.37 C ATOM 919 C ASN A 65 -2.250 5.075 -8.535 1.00 0.33 C ATOM 920 O ASN A 65 -2.117 3.909 -8.898 1.00 0.34 O ATOM 921 CB ASN A 65 -3.999 6.230 -9.908 1.00 0.47 C ATOM 922 CG ASN A 65 -5.467 6.016 -10.230 1.00 1.17 C ATOM 923 OD1 ASN A 65 -5.830 5.795 -11.389 1.00 1.66 O ATOM 924 ND2 ASN A 65 -6.321 6.074 -9.219 1.00 2.18 N ATOM 0 H ASN A 65 -3.739 7.743 -7.928 1.00 0.31 H new ATOM 0 HA ASN A 65 -4.358 4.977 -8.221 1.00 0.37 H new ATOM 0 HB2 ASN A 65 -3.765 7.292 -9.983 1.00 0.47 H new ATOM 0 HB3 ASN A 65 -3.389 5.716 -10.651 1.00 0.47 H new ATOM 0 HD21 ASN A 65 -7.318 5.934 -9.385 1.00 2.18 H new ATOM 0 HD22 ASN A 65 -5.982 6.259 -8.275 1.00 2.18 H new ATOM 931 N LYS A 66 -1.233 5.821 -8.122 1.00 0.34 N ATOM 932 CA LYS A 66 0.115 5.286 -8.013 1.00 0.32 C ATOM 933 C LYS A 66 0.221 4.442 -6.758 1.00 0.31 C ATOM 934 O LYS A 66 0.926 3.433 -6.732 1.00 0.32 O ATOM 935 CB LYS A 66 1.131 6.415 -7.957 1.00 0.29 C ATOM 936 CG LYS A 66 2.414 6.125 -8.699 1.00 0.40 C ATOM 937 CD LYS A 66 3.055 4.881 -8.249 1.00 0.63 C ATOM 938 CE LYS A 66 4.499 4.884 -8.680 1.00 0.42 C ATOM 939 NZ LYS A 66 4.660 5.109 -10.143 1.00 0.68 N ATOM 0 H LYS A 66 -1.319 6.802 -7.856 1.00 0.34 H new ATOM 0 HA LYS A 66 0.324 4.672 -8.889 1.00 0.32 H new ATOM 0 HB2 LYS A 66 0.680 7.317 -8.371 1.00 0.29 H new ATOM 0 HB3 LYS A 66 1.367 6.627 -6.914 1.00 0.29 H new ATOM 0 HG2 LYS A 66 2.205 6.057 -9.767 1.00 0.40 H new ATOM 0 HG3 LYS A 66 3.105 6.957 -8.562 1.00 0.40 H new ATOM 0 HD2 LYS A 66 2.987 4.794 -7.165 1.00 0.63 H new ATOM 0 HD3 LYS A 66 2.539 4.019 -8.671 1.00 0.63 H new ATOM 0 HE2 LYS A 66 5.035 5.661 -8.136 1.00 0.42 H new ATOM 0 HE3 LYS A 66 4.957 3.932 -8.410 1.00 0.42 H new ATOM 0 HZ1 LYS A 66 5.632 4.869 -10.426 1.00 0.68 H new ATOM 0 HZ2 LYS A 66 3.990 4.507 -10.663 1.00 0.68 H new ATOM 0 HZ3 LYS A 66 4.471 6.108 -10.363 1.00 0.68 H new ATOM 953 N CYS A 67 -0.489 4.854 -5.718 1.00 0.31 N ATOM 954 CA CYS A 67 -0.533 4.091 -4.492 1.00 0.32 C ATOM 955 C CYS A 67 -1.101 2.711 -4.804 1.00 0.36 C ATOM 956 O CYS A 67 -0.661 1.700 -4.263 1.00 0.39 O ATOM 957 CB CYS A 67 -1.399 4.810 -3.458 1.00 0.33 C ATOM 958 SG CYS A 67 -1.357 6.601 -3.568 1.00 1.29 S ATOM 0 H CYS A 67 -1.040 5.712 -5.704 1.00 0.31 H new ATOM 0 HA CYS A 67 0.469 3.988 -4.076 1.00 0.32 H new ATOM 0 HB2 CYS A 67 -2.430 4.476 -3.571 1.00 0.33 H new ATOM 0 HB3 CYS A 67 -1.075 4.512 -2.461 1.00 0.33 H new ATOM 0 HG CYS A 67 -0.962 6.954 -4.755 1.00 1.29 H new ATOM 964 N ARG A 68 -2.072 2.696 -5.711 1.00 0.38 N ATOM 965 CA ARG A 68 -2.626 1.464 -6.248 1.00 0.45 C ATOM 966 C ARG A 68 -1.574 0.753 -7.102 1.00 0.42 C ATOM 967 O ARG A 68 -1.289 -0.430 -6.902 1.00 0.48 O ATOM 968 CB ARG A 68 -3.864 1.798 -7.096 1.00 0.60 C ATOM 969 CG ARG A 68 -4.748 0.608 -7.458 1.00 1.00 C ATOM 970 CD ARG A 68 -4.115 -0.326 -8.475 1.00 1.21 C ATOM 971 NE ARG A 68 -3.775 0.349 -9.725 1.00 1.92 N ATOM 972 CZ ARG A 68 -3.138 -0.246 -10.732 1.00 2.48 C ATOM 973 NH1 ARG A 68 -2.860 -1.543 -10.669 1.00 2.64 N ATOM 974 NH2 ARG A 68 -2.808 0.449 -11.811 1.00 3.39 N ATOM 0 H ARG A 68 -2.496 3.541 -6.094 1.00 0.38 H new ATOM 0 HA ARG A 68 -2.916 0.802 -5.432 1.00 0.45 H new ATOM 0 HB2 ARG A 68 -4.468 2.527 -6.556 1.00 0.60 H new ATOM 0 HB3 ARG A 68 -3.534 2.278 -8.017 1.00 0.60 H new ATOM 0 HG2 ARG A 68 -4.977 0.046 -6.553 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -5.695 0.975 -7.853 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -3.214 -0.765 -8.047 1.00 1.21 H new ATOM 0 HD3 ARG A 68 -4.801 -1.147 -8.685 1.00 1.21 H new ATOM 0 HE ARG A 68 -4.040 1.328 -9.832 1.00 1.92 H new ATOM 0 HH11 ARG A 68 -3.134 -2.084 -9.849 1.00 2.64 H new ATOM 0 HH12 ARG A 68 -2.372 -1.998 -11.441 1.00 2.64 H new ATOM 0 HH21 ARG A 68 -3.042 1.440 -11.871 1.00 3.39 H new ATOM 0 HH22 ARG A 68 -2.320 -0.007 -12.582 1.00 3.39 H new ATOM 988 N GLU A 69 -1.006 1.507 -8.046 1.00 0.38 N ATOM 989 CA GLU A 69 -0.050 0.986 -9.024 1.00 0.37 C ATOM 990 C GLU A 69 1.082 0.213 -8.354 1.00 0.31 C ATOM 991 O GLU A 69 1.453 -0.881 -8.787 1.00 0.34 O ATOM 992 CB GLU A 69 0.530 2.146 -9.853 1.00 0.38 C ATOM 993 CG GLU A 69 1.348 1.690 -11.049 1.00 0.67 C ATOM 994 CD GLU A 69 0.512 0.932 -12.059 1.00 1.20 C ATOM 995 OE1 GLU A 69 -0.222 1.574 -12.842 1.00 1.19 O ATOM 996 OE2 GLU A 69 0.593 -0.313 -12.082 1.00 2.08 O ATOM 0 H GLU A 69 -1.198 2.503 -8.153 1.00 0.38 H new ATOM 0 HA GLU A 69 -0.584 0.295 -9.676 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -0.288 2.776 -10.202 1.00 0.38 H new ATOM 0 HB3 GLU A 69 1.156 2.764 -9.209 1.00 0.38 H new ATOM 0 HG2 GLU A 69 1.798 2.558 -11.531 1.00 0.67 H new ATOM 0 HG3 GLU A 69 2.165 1.055 -10.707 1.00 0.67 H new ATOM 1003 N LEU A 70 1.619 0.779 -7.292 1.00 0.24 N ATOM 1004 CA LEU A 70 2.764 0.192 -6.624 1.00 0.21 C ATOM 1005 C LEU A 70 2.380 -0.965 -5.715 1.00 0.22 C ATOM 1006 O LEU A 70 3.113 -1.942 -5.627 1.00 0.23 O ATOM 1007 CB LEU A 70 3.510 1.249 -5.827 1.00 0.20 C ATOM 1008 CG LEU A 70 4.328 2.236 -6.652 1.00 0.21 C ATOM 1009 CD1 LEU A 70 5.117 3.128 -5.718 1.00 0.22 C ATOM 1010 CD2 LEU A 70 5.267 1.498 -7.598 1.00 0.24 C ATOM 0 H LEU A 70 1.281 1.645 -6.873 1.00 0.24 H new ATOM 0 HA LEU A 70 3.413 -0.208 -7.403 1.00 0.21 H new ATOM 0 HB2 LEU A 70 2.787 1.809 -5.234 1.00 0.20 H new ATOM 0 HB3 LEU A 70 4.177 0.747 -5.126 1.00 0.20 H new ATOM 0 HG LEU A 70 3.654 2.844 -7.255 1.00 0.21 H new ATOM 0 HD11 LEU A 70 5.705 3.837 -6.302 1.00 0.22 H new ATOM 0 HD12 LEU A 70 4.431 3.673 -5.069 1.00 0.22 H new ATOM 0 HD13 LEU A 70 5.784 2.518 -5.109 1.00 0.22 H new ATOM 0 HD21 LEU A 70 5.842 2.221 -8.177 1.00 0.24 H new ATOM 0 HD22 LEU A 70 5.948 0.873 -7.020 1.00 0.24 H new ATOM 0 HD23 LEU A 70 4.684 0.872 -8.274 1.00 0.24 H new ATOM 1022 N CYS A 71 1.245 -0.869 -5.039 1.00 0.24 N ATOM 1023 CA CYS A 71 0.851 -1.918 -4.109 1.00 0.25 C ATOM 1024 C CYS A 71 0.577 -3.233 -4.832 1.00 0.24 C ATOM 1025 O CYS A 71 1.037 -4.281 -4.394 1.00 0.23 O ATOM 1026 CB CYS A 71 -0.360 -1.502 -3.284 1.00 0.32 C ATOM 1027 SG CYS A 71 -0.045 -0.143 -2.136 1.00 1.10 S ATOM 0 H CYS A 71 0.590 -0.090 -5.114 1.00 0.24 H new ATOM 0 HA CYS A 71 1.689 -2.074 -3.430 1.00 0.25 H new ATOM 0 HB2 CYS A 71 -1.164 -1.212 -3.961 1.00 0.32 H new ATOM 0 HB3 CYS A 71 -0.714 -2.365 -2.719 1.00 0.32 H new ATOM 0 HG CYS A 71 -0.285 0.989 -2.728 1.00 1.10 H new ATOM 1033 N GLU A 72 -0.148 -3.183 -5.946 1.00 0.25 N ATOM 1034 CA GLU A 72 -0.420 -4.391 -6.724 1.00 0.26 C ATOM 1035 C GLU A 72 0.870 -4.943 -7.327 1.00 0.23 C ATOM 1036 O GLU A 72 1.022 -6.154 -7.486 1.00 0.25 O ATOM 1037 CB GLU A 72 -1.450 -4.112 -7.819 1.00 0.34 C ATOM 1038 CG GLU A 72 -2.830 -4.667 -7.508 1.00 0.87 C ATOM 1039 CD GLU A 72 -3.814 -4.456 -8.638 1.00 1.36 C ATOM 1040 OE1 GLU A 72 -4.054 -3.291 -9.015 1.00 2.09 O ATOM 1041 OE2 GLU A 72 -4.360 -5.456 -9.149 1.00 1.68 O ATOM 0 H GLU A 72 -0.555 -2.329 -6.328 1.00 0.25 H new ATOM 0 HA GLU A 72 -0.834 -5.142 -6.052 1.00 0.26 H new ATOM 0 HB2 GLU A 72 -1.526 -3.035 -7.970 1.00 0.34 H new ATOM 0 HB3 GLU A 72 -1.097 -4.541 -8.757 1.00 0.34 H new ATOM 0 HG2 GLU A 72 -2.749 -5.733 -7.297 1.00 0.87 H new ATOM 0 HG3 GLU A 72 -3.213 -4.192 -6.605 1.00 0.87 H new ATOM 1048 N LYS A 73 1.799 -4.046 -7.646 1.00 0.23 N ATOM 1049 CA LYS A 73 3.128 -4.441 -8.101 1.00 0.23 C ATOM 1050 C LYS A 73 3.868 -5.150 -6.976 1.00 0.20 C ATOM 1051 O LYS A 73 4.421 -6.230 -7.166 1.00 0.21 O ATOM 1052 CB LYS A 73 3.929 -3.212 -8.559 1.00 0.27 C ATOM 1053 CG LYS A 73 5.409 -3.481 -8.839 1.00 0.33 C ATOM 1054 CD LYS A 73 5.671 -4.001 -10.249 1.00 0.57 C ATOM 1055 CE LYS A 73 5.071 -5.377 -10.486 1.00 0.60 C ATOM 1056 NZ LYS A 73 5.496 -5.952 -11.788 1.00 1.23 N ATOM 0 H LYS A 73 1.655 -3.037 -7.597 1.00 0.23 H new ATOM 0 HA LYS A 73 3.019 -5.120 -8.947 1.00 0.23 H new ATOM 0 HB2 LYS A 73 3.469 -2.812 -9.463 1.00 0.27 H new ATOM 0 HB3 LYS A 73 3.853 -2.440 -7.794 1.00 0.27 H new ATOM 0 HG2 LYS A 73 5.973 -2.561 -8.688 1.00 0.33 H new ATOM 0 HG3 LYS A 73 5.782 -4.206 -8.116 1.00 0.33 H new ATOM 0 HD2 LYS A 73 5.258 -3.299 -10.974 1.00 0.57 H new ATOM 0 HD3 LYS A 73 6.746 -4.043 -10.423 1.00 0.57 H new ATOM 0 HE2 LYS A 73 5.369 -6.047 -9.679 1.00 0.60 H new ATOM 0 HE3 LYS A 73 3.984 -5.308 -10.458 1.00 0.60 H new ATOM 0 HZ1 LYS A 73 5.315 -6.976 -11.791 1.00 1.23 H new ATOM 0 HZ2 LYS A 73 4.959 -5.503 -12.557 1.00 1.23 H new ATOM 0 HZ3 LYS A 73 6.512 -5.780 -11.928 1.00 1.23 H new ATOM 1070 N ALA A 74 3.859 -4.528 -5.806 1.00 0.19 N ATOM 1071 CA ALA A 74 4.480 -5.093 -4.624 1.00 0.17 C ATOM 1072 C ALA A 74 3.862 -6.431 -4.284 1.00 0.16 C ATOM 1073 O ALA A 74 4.557 -7.356 -3.904 1.00 0.16 O ATOM 1074 CB ALA A 74 4.351 -4.136 -3.453 1.00 0.18 C ATOM 0 H ALA A 74 3.421 -3.620 -5.653 1.00 0.19 H new ATOM 0 HA ALA A 74 5.539 -5.249 -4.832 1.00 0.17 H new ATOM 0 HB1 ALA A 74 4.822 -4.573 -2.572 1.00 0.18 H new ATOM 0 HB2 ALA A 74 4.842 -3.194 -3.697 1.00 0.18 H new ATOM 0 HB3 ALA A 74 3.296 -3.953 -3.247 1.00 0.18 H new ATOM 1080 N ILE A 75 2.553 -6.528 -4.427 1.00 0.16 N ATOM 1081 CA ILE A 75 1.852 -7.777 -4.185 1.00 0.16 C ATOM 1082 C ILE A 75 2.272 -8.833 -5.193 1.00 0.17 C ATOM 1083 O ILE A 75 2.498 -9.989 -4.834 1.00 0.18 O ATOM 1084 CB ILE A 75 0.329 -7.577 -4.230 1.00 0.19 C ATOM 1085 CG1 ILE A 75 -0.105 -6.718 -3.048 1.00 0.20 C ATOM 1086 CG2 ILE A 75 -0.401 -8.911 -4.222 1.00 0.23 C ATOM 1087 CD1 ILE A 75 -1.596 -6.537 -2.951 1.00 0.23 C ATOM 0 H ILE A 75 1.952 -5.754 -4.710 1.00 0.16 H new ATOM 0 HA ILE A 75 2.122 -8.120 -3.186 1.00 0.16 H new ATOM 0 HB ILE A 75 0.070 -7.068 -5.158 1.00 0.19 H new ATOM 0 HG12 ILE A 75 0.258 -7.173 -2.126 1.00 0.20 H new ATOM 0 HG13 ILE A 75 0.367 -5.739 -3.128 1.00 0.20 H new ATOM 0 HG21 ILE A 75 -1.477 -8.737 -4.254 1.00 0.23 H new ATOM 0 HG22 ILE A 75 -0.101 -9.495 -5.092 1.00 0.23 H new ATOM 0 HG23 ILE A 75 -0.149 -9.458 -3.314 1.00 0.23 H new ATOM 0 HD11 ILE A 75 -1.832 -5.915 -2.087 1.00 0.23 H new ATOM 0 HD12 ILE A 75 -1.964 -6.054 -3.856 1.00 0.23 H new ATOM 0 HD13 ILE A 75 -2.074 -7.510 -2.839 1.00 0.23 H new ATOM 1099 N GLU A 76 2.395 -8.425 -6.448 1.00 0.18 N ATOM 1100 CA GLU A 76 2.865 -9.320 -7.495 1.00 0.21 C ATOM 1101 C GLU A 76 4.260 -9.832 -7.144 1.00 0.20 C ATOM 1102 O GLU A 76 4.573 -11.007 -7.325 1.00 0.24 O ATOM 1103 CB GLU A 76 2.893 -8.583 -8.835 1.00 0.24 C ATOM 1104 CG GLU A 76 3.197 -9.474 -10.028 1.00 0.77 C ATOM 1105 CD GLU A 76 3.128 -8.724 -11.341 1.00 1.47 C ATOM 1106 OE1 GLU A 76 2.017 -8.587 -11.898 1.00 1.62 O ATOM 1107 OE2 GLU A 76 4.179 -8.258 -11.825 1.00 2.35 O ATOM 0 H GLU A 76 2.176 -7.481 -6.766 1.00 0.18 H new ATOM 0 HA GLU A 76 2.186 -10.169 -7.577 1.00 0.21 H new ATOM 0 HB2 GLU A 76 1.928 -8.101 -8.992 1.00 0.24 H new ATOM 0 HB3 GLU A 76 3.641 -7.792 -8.786 1.00 0.24 H new ATOM 0 HG2 GLU A 76 4.191 -9.906 -9.911 1.00 0.77 H new ATOM 0 HG3 GLU A 76 2.489 -10.303 -10.049 1.00 0.77 H new ATOM 1114 N VAL A 77 5.077 -8.928 -6.624 1.00 0.21 N ATOM 1115 CA VAL A 77 6.429 -9.241 -6.178 1.00 0.22 C ATOM 1116 C VAL A 77 6.414 -10.127 -4.934 1.00 0.21 C ATOM 1117 O VAL A 77 7.117 -11.131 -4.867 1.00 0.24 O ATOM 1118 CB VAL A 77 7.195 -7.931 -5.870 1.00 0.22 C ATOM 1119 CG1 VAL A 77 8.471 -8.189 -5.083 1.00 0.22 C ATOM 1120 CG2 VAL A 77 7.505 -7.182 -7.156 1.00 0.25 C ATOM 0 H VAL A 77 4.820 -7.949 -6.498 1.00 0.21 H new ATOM 0 HA VAL A 77 6.930 -9.785 -6.979 1.00 0.22 H new ATOM 0 HB VAL A 77 6.548 -7.314 -5.247 1.00 0.22 H new ATOM 0 HG11 VAL A 77 8.976 -7.243 -4.889 1.00 0.22 H new ATOM 0 HG12 VAL A 77 8.224 -8.669 -4.136 1.00 0.22 H new ATOM 0 HG13 VAL A 77 9.128 -8.840 -5.659 1.00 0.22 H new ATOM 0 HG21 VAL A 77 8.044 -6.264 -6.921 1.00 0.25 H new ATOM 0 HG22 VAL A 77 8.120 -7.808 -7.803 1.00 0.25 H new ATOM 0 HG23 VAL A 77 6.574 -6.936 -7.667 1.00 0.25 H new ATOM 1130 N GLY A 78 5.598 -9.755 -3.963 1.00 0.19 N ATOM 1131 CA GLY A 78 5.561 -10.461 -2.702 1.00 0.21 C ATOM 1132 C GLY A 78 5.019 -11.862 -2.839 1.00 0.21 C ATOM 1133 O GLY A 78 5.616 -12.814 -2.349 1.00 0.27 O ATOM 0 H GLY A 78 4.953 -8.967 -4.027 1.00 0.19 H new ATOM 0 HA2 GLY A 78 6.567 -10.503 -2.284 1.00 0.21 H new ATOM 0 HA3 GLY A 78 4.945 -9.904 -1.996 1.00 0.21 H new ATOM 1137 N ARG A 79 3.899 -11.997 -3.526 1.00 0.21 N ATOM 1138 CA ARG A 79 3.292 -13.304 -3.735 1.00 0.28 C ATOM 1139 C ARG A 79 4.190 -14.163 -4.628 1.00 0.28 C ATOM 1140 O ARG A 79 4.102 -15.392 -4.629 1.00 0.33 O ATOM 1141 CB ARG A 79 1.892 -13.135 -4.333 1.00 0.39 C ATOM 1142 CG ARG A 79 1.128 -14.435 -4.501 1.00 0.81 C ATOM 1143 CD ARG A 79 -0.354 -14.181 -4.712 1.00 0.89 C ATOM 1144 NE ARG A 79 -1.048 -15.380 -5.181 1.00 1.57 N ATOM 1145 CZ ARG A 79 -2.310 -15.683 -4.884 1.00 2.03 C ATOM 1146 NH1 ARG A 79 -3.035 -14.874 -4.121 1.00 2.20 N ATOM 1147 NH2 ARG A 79 -2.852 -16.796 -5.354 1.00 2.63 N ATOM 0 H ARG A 79 3.390 -11.221 -3.949 1.00 0.21 H new ATOM 0 HA ARG A 79 3.189 -13.818 -2.779 1.00 0.28 H new ATOM 0 HB2 ARG A 79 1.314 -12.467 -3.694 1.00 0.39 H new ATOM 0 HB3 ARG A 79 1.980 -12.650 -5.305 1.00 0.39 H new ATOM 0 HG2 ARG A 79 1.529 -14.988 -5.351 1.00 0.81 H new ATOM 0 HG3 ARG A 79 1.270 -15.059 -3.619 1.00 0.81 H new ATOM 0 HD2 ARG A 79 -0.802 -13.844 -3.777 1.00 0.89 H new ATOM 0 HD3 ARG A 79 -0.486 -13.378 -5.437 1.00 0.89 H new ATOM 0 HE ARG A 79 -0.530 -16.027 -5.775 1.00 1.57 H new ATOM 0 HH11 ARG A 79 -2.626 -14.013 -3.758 1.00 2.20 H new ATOM 0 HH12 ARG A 79 -4.001 -15.113 -3.898 1.00 2.20 H new ATOM 0 HH21 ARG A 79 -2.303 -17.421 -5.944 1.00 2.63 H new ATOM 0 HH22 ARG A 79 -3.819 -17.028 -5.126 1.00 2.63 H new ATOM 1161 N GLU A 80 5.072 -13.501 -5.367 1.00 0.27 N ATOM 1162 CA GLU A 80 6.078 -14.176 -6.176 1.00 0.32 C ATOM 1163 C GLU A 80 7.235 -14.661 -5.305 1.00 0.31 C ATOM 1164 O GLU A 80 7.616 -15.834 -5.338 1.00 0.37 O ATOM 1165 CB GLU A 80 6.609 -13.219 -7.245 1.00 0.36 C ATOM 1166 CG GLU A 80 7.732 -13.797 -8.084 1.00 0.57 C ATOM 1167 CD GLU A 80 7.938 -13.037 -9.373 1.00 1.18 C ATOM 1168 OE1 GLU A 80 8.612 -11.986 -9.340 1.00 1.96 O ATOM 1169 OE2 GLU A 80 7.433 -13.480 -10.425 1.00 1.22 O ATOM 0 H GLU A 80 5.110 -12.483 -5.422 1.00 0.27 H new ATOM 0 HA GLU A 80 5.615 -15.039 -6.654 1.00 0.32 H new ATOM 0 HB2 GLU A 80 5.788 -12.933 -7.902 1.00 0.36 H new ATOM 0 HB3 GLU A 80 6.962 -12.309 -6.761 1.00 0.36 H new ATOM 0 HG2 GLU A 80 8.656 -13.785 -7.507 1.00 0.57 H new ATOM 0 HG3 GLU A 80 7.512 -14.840 -8.312 1.00 0.57 H new ATOM 1176 N ASN A 81 7.772 -13.745 -4.513 1.00 0.29 N ATOM 1177 CA ASN A 81 8.967 -13.996 -3.715 1.00 0.35 C ATOM 1178 C ASN A 81 8.624 -14.664 -2.383 1.00 0.35 C ATOM 1179 O ASN A 81 9.486 -14.829 -1.516 1.00 0.49 O ATOM 1180 CB ASN A 81 9.691 -12.674 -3.481 1.00 0.40 C ATOM 1181 CG ASN A 81 11.096 -12.835 -2.925 1.00 0.55 C ATOM 1182 OD1 ASN A 81 11.545 -12.025 -2.113 1.00 1.35 O ATOM 1183 ND2 ASN A 81 11.812 -13.856 -3.376 1.00 1.13 N ATOM 0 H ASN A 81 7.392 -12.805 -4.404 1.00 0.29 H new ATOM 0 HA ASN A 81 9.616 -14.682 -4.259 1.00 0.35 H new ATOM 0 HB2 ASN A 81 9.743 -12.127 -4.423 1.00 0.40 H new ATOM 0 HB3 ASN A 81 9.105 -12.066 -2.792 1.00 0.40 H new ATOM 0 HD21 ASN A 81 12.769 -13.991 -3.050 1.00 1.13 H new ATOM 0 HD22 ASN A 81 11.406 -14.506 -4.048 1.00 1.13 H new ATOM 1190 N ARG A 82 7.355 -15.049 -2.237 1.00 0.32 N ATOM 1191 CA ARG A 82 6.865 -15.737 -1.040 1.00 0.37 C ATOM 1192 C ARG A 82 6.969 -14.831 0.183 1.00 0.32 C ATOM 1193 O ARG A 82 7.350 -15.265 1.270 1.00 0.38 O ATOM 1194 CB ARG A 82 7.636 -17.041 -0.808 1.00 0.47 C ATOM 1195 CG ARG A 82 7.594 -17.999 -1.988 1.00 1.04 C ATOM 1196 CD ARG A 82 6.170 -18.368 -2.370 1.00 1.99 C ATOM 1197 NE ARG A 82 6.136 -19.326 -3.473 1.00 2.83 N ATOM 1198 CZ ARG A 82 5.055 -19.591 -4.205 1.00 3.77 C ATOM 1199 NH1 ARG A 82 3.912 -18.966 -3.965 1.00 4.01 N ATOM 1200 NH2 ARG A 82 5.122 -20.484 -5.182 1.00 4.67 N ATOM 0 H ARG A 82 6.637 -14.893 -2.945 1.00 0.32 H new ATOM 0 HA ARG A 82 5.815 -15.983 -1.198 1.00 0.37 H new ATOM 0 HB2 ARG A 82 8.675 -16.802 -0.583 1.00 0.47 H new ATOM 0 HB3 ARG A 82 7.227 -17.542 0.069 1.00 0.47 H new ATOM 0 HG2 ARG A 82 8.092 -17.543 -2.843 1.00 1.04 H new ATOM 0 HG3 ARG A 82 8.149 -18.904 -1.741 1.00 1.04 H new ATOM 0 HD2 ARG A 82 5.659 -18.791 -1.505 1.00 1.99 H new ATOM 0 HD3 ARG A 82 5.625 -17.468 -2.653 1.00 1.99 H new ATOM 0 HE ARG A 82 6.997 -19.825 -3.697 1.00 2.83 H new ATOM 0 HH11 ARG A 82 3.855 -18.277 -3.215 1.00 4.01 H new ATOM 0 HH12 ARG A 82 3.089 -19.174 -4.530 1.00 4.01 H new ATOM 0 HH21 ARG A 82 6.000 -20.967 -5.372 1.00 4.67 H new ATOM 0 HH22 ARG A 82 4.295 -20.688 -5.744 1.00 4.67 H new ATOM 1214 N GLU A 83 6.613 -13.571 -0.016 1.00 0.27 N ATOM 1215 CA GLU A 83 6.698 -12.556 1.021 1.00 0.27 C ATOM 1216 C GLU A 83 5.414 -12.528 1.850 1.00 0.25 C ATOM 1217 O GLU A 83 4.412 -13.137 1.469 1.00 0.25 O ATOM 1218 CB GLU A 83 6.963 -11.191 0.376 1.00 0.28 C ATOM 1219 CG GLU A 83 7.412 -10.113 1.353 1.00 0.43 C ATOM 1220 CD GLU A 83 8.485 -10.593 2.306 1.00 0.94 C ATOM 1221 OE1 GLU A 83 9.662 -10.663 1.891 1.00 1.15 O ATOM 1222 OE2 GLU A 83 8.164 -10.905 3.471 1.00 1.60 O ATOM 0 H GLU A 83 6.255 -13.223 -0.906 1.00 0.27 H new ATOM 0 HA GLU A 83 7.522 -12.795 1.693 1.00 0.27 H new ATOM 0 HB2 GLU A 83 7.726 -11.308 -0.394 1.00 0.28 H new ATOM 0 HB3 GLU A 83 6.054 -10.856 -0.124 1.00 0.28 H new ATOM 0 HG2 GLU A 83 7.787 -9.256 0.794 1.00 0.43 H new ATOM 0 HG3 GLU A 83 6.552 -9.768 1.926 1.00 0.43 H new ATOM 1229 N ASP A 84 5.467 -11.832 2.984 1.00 0.26 N ATOM 1230 CA ASP A 84 4.353 -11.762 3.928 1.00 0.26 C ATOM 1231 C ASP A 84 3.034 -11.396 3.251 1.00 0.25 C ATOM 1232 O ASP A 84 2.866 -10.292 2.731 1.00 0.26 O ATOM 1233 CB ASP A 84 4.658 -10.748 5.030 1.00 0.29 C ATOM 1234 CG ASP A 84 3.545 -10.672 6.057 1.00 0.44 C ATOM 1235 OD1 ASP A 84 3.021 -11.730 6.451 1.00 0.82 O ATOM 1236 OD2 ASP A 84 3.189 -9.548 6.473 1.00 0.68 O ATOM 0 H ASP A 84 6.286 -11.299 3.275 1.00 0.26 H new ATOM 0 HA ASP A 84 4.239 -12.758 4.356 1.00 0.26 H new ATOM 0 HB2 ASP A 84 5.590 -11.020 5.525 1.00 0.29 H new ATOM 0 HB3 ASP A 84 4.809 -9.764 4.586 1.00 0.29 H new ATOM 1241 N TYR A 85 2.094 -12.331 3.285 1.00 0.26 N ATOM 1242 CA TYR A 85 0.779 -12.133 2.685 1.00 0.26 C ATOM 1243 C TYR A 85 -0.046 -11.142 3.495 1.00 0.27 C ATOM 1244 O TYR A 85 -0.992 -10.543 2.988 1.00 0.26 O ATOM 1245 CB TYR A 85 0.036 -13.462 2.594 1.00 0.27 C ATOM 1246 CG TYR A 85 -0.246 -14.077 3.945 1.00 0.29 C ATOM 1247 CD1 TYR A 85 -1.396 -13.756 4.648 1.00 0.34 C ATOM 1248 CD2 TYR A 85 0.630 -14.996 4.505 1.00 0.33 C ATOM 1249 CE1 TYR A 85 -1.669 -14.333 5.872 1.00 0.37 C ATOM 1250 CE2 TYR A 85 0.368 -15.573 5.727 1.00 0.37 C ATOM 1251 CZ TYR A 85 -0.745 -15.172 6.447 1.00 0.38 C ATOM 1252 OH TYR A 85 -1.052 -15.831 7.619 1.00 0.44 O ATOM 0 H TYR A 85 2.219 -13.242 3.726 1.00 0.26 H new ATOM 0 HA TYR A 85 0.924 -11.729 1.683 1.00 0.26 H new ATOM 0 HB2 TYR A 85 -0.906 -13.309 2.067 1.00 0.27 H new ATOM 0 HB3 TYR A 85 0.625 -14.160 1.999 1.00 0.27 H new ATOM 0 HD1 TYR A 85 -2.091 -13.042 4.231 1.00 0.34 H new ATOM 0 HD2 TYR A 85 1.532 -15.263 3.974 1.00 0.33 H new ATOM 0 HE1 TYR A 85 -2.602 -14.126 6.374 1.00 0.37 H new ATOM 0 HE2 TYR A 85 1.026 -16.333 6.122 1.00 0.37 H new ATOM 0 HH TYR A 85 -0.291 -16.385 7.892 1.00 0.44 H new ATOM 1262 N ARG A 86 0.301 -10.981 4.764 1.00 0.30 N ATOM 1263 CA ARG A 86 -0.403 -10.046 5.619 1.00 0.33 C ATOM 1264 C ARG A 86 -0.027 -8.632 5.217 1.00 0.32 C ATOM 1265 O ARG A 86 -0.848 -7.715 5.249 1.00 0.32 O ATOM 1266 CB ARG A 86 -0.071 -10.299 7.077 1.00 0.40 C ATOM 1267 CG ARG A 86 -0.240 -11.752 7.470 1.00 0.44 C ATOM 1268 CD ARG A 86 -0.292 -11.930 8.969 1.00 0.55 C ATOM 1269 NE ARG A 86 -0.519 -13.327 9.338 1.00 1.57 N ATOM 1270 CZ ARG A 86 -0.608 -13.764 10.591 1.00 1.98 C ATOM 1271 NH1 ARG A 86 -0.436 -12.926 11.605 1.00 1.57 N ATOM 1272 NH2 ARG A 86 -0.859 -15.046 10.826 1.00 3.04 N ATOM 0 H ARG A 86 1.062 -11.485 5.219 1.00 0.30 H new ATOM 0 HA ARG A 86 -1.478 -10.181 5.499 1.00 0.33 H new ATOM 0 HB2 ARG A 86 0.957 -9.992 7.270 1.00 0.40 H new ATOM 0 HB3 ARG A 86 -0.712 -9.680 7.704 1.00 0.40 H new ATOM 0 HG2 ARG A 86 -1.155 -12.143 7.026 1.00 0.44 H new ATOM 0 HG3 ARG A 86 0.586 -12.336 7.064 1.00 0.44 H new ATOM 0 HD2 ARG A 86 0.643 -11.584 9.410 1.00 0.55 H new ATOM 0 HD3 ARG A 86 -1.088 -11.310 9.382 1.00 0.55 H new ATOM 0 HE ARG A 86 -0.615 -14.010 8.586 1.00 1.57 H new ATOM 0 HH11 ARG A 86 -0.235 -11.942 11.425 1.00 1.57 H new ATOM 0 HH12 ARG A 86 -0.505 -13.265 12.564 1.00 1.57 H new ATOM 0 HH21 ARG A 86 -0.983 -15.693 10.047 1.00 3.04 H new ATOM 0 HH22 ARG A 86 -0.928 -15.385 11.786 1.00 3.04 H new ATOM 1286 N GLN A 87 1.232 -8.485 4.831 1.00 0.33 N ATOM 1287 CA GLN A 87 1.744 -7.262 4.240 1.00 0.33 C ATOM 1288 C GLN A 87 1.050 -7.013 2.903 1.00 0.28 C ATOM 1289 O GLN A 87 0.736 -5.875 2.551 1.00 0.28 O ATOM 1290 CB GLN A 87 3.257 -7.406 4.053 1.00 0.39 C ATOM 1291 CG GLN A 87 3.960 -6.171 3.524 1.00 0.49 C ATOM 1292 CD GLN A 87 3.745 -4.950 4.397 1.00 0.57 C ATOM 1293 OE1 GLN A 87 4.495 -4.707 5.345 1.00 1.14 O ATOM 1294 NE2 GLN A 87 2.724 -4.167 4.081 1.00 1.46 N ATOM 0 H GLN A 87 1.933 -9.221 4.921 1.00 0.33 H new ATOM 0 HA GLN A 87 1.545 -6.410 4.890 1.00 0.33 H new ATOM 0 HB2 GLN A 87 3.702 -7.676 5.011 1.00 0.39 H new ATOM 0 HB3 GLN A 87 3.446 -8.234 3.369 1.00 0.39 H new ATOM 0 HG2 GLN A 87 5.028 -6.372 3.447 1.00 0.49 H new ATOM 0 HG3 GLN A 87 3.602 -5.959 2.517 1.00 0.49 H new ATOM 0 HE21 GLN A 87 2.127 -4.403 3.289 1.00 1.46 H new ATOM 0 HE22 GLN A 87 2.536 -3.328 4.630 1.00 1.46 H new ATOM 1303 N ILE A 88 0.811 -8.097 2.174 1.00 0.25 N ATOM 1304 CA ILE A 88 0.025 -8.059 0.945 1.00 0.22 C ATOM 1305 C ILE A 88 -1.387 -7.565 1.217 1.00 0.20 C ATOM 1306 O ILE A 88 -1.928 -6.753 0.472 1.00 0.20 O ATOM 1307 CB ILE A 88 -0.019 -9.452 0.282 1.00 0.21 C ATOM 1308 CG1 ILE A 88 1.270 -9.676 -0.481 1.00 0.22 C ATOM 1309 CG2 ILE A 88 -1.215 -9.603 -0.640 1.00 0.20 C ATOM 1310 CD1 ILE A 88 1.480 -11.074 -0.971 1.00 0.23 C ATOM 0 H ILE A 88 1.156 -9.026 2.417 1.00 0.25 H new ATOM 0 HA ILE A 88 0.509 -7.361 0.261 1.00 0.22 H new ATOM 0 HB ILE A 88 -0.124 -10.204 1.064 1.00 0.21 H new ATOM 0 HG12 ILE A 88 1.291 -9.000 -1.336 1.00 0.22 H new ATOM 0 HG13 ILE A 88 2.107 -9.403 0.161 1.00 0.22 H new ATOM 0 HG21 ILE A 88 -1.208 -10.598 -1.086 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -2.134 -9.468 -0.069 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -1.164 -8.852 -1.428 1.00 0.20 H new ATOM 0 HD11 ILE A 88 2.429 -11.134 -1.504 1.00 0.23 H new ATOM 0 HD12 ILE A 88 1.497 -11.758 -0.123 1.00 0.23 H new ATOM 0 HD13 ILE A 88 0.668 -11.350 -1.643 1.00 0.23 H new ATOM 1322 N ALA A 89 -1.975 -8.054 2.293 1.00 0.21 N ATOM 1323 CA ALA A 89 -3.297 -7.621 2.698 1.00 0.21 C ATOM 1324 C ALA A 89 -3.293 -6.136 3.045 1.00 0.22 C ATOM 1325 O ALA A 89 -4.239 -5.418 2.739 1.00 0.21 O ATOM 1326 CB ALA A 89 -3.775 -8.451 3.870 1.00 0.24 C ATOM 0 H ALA A 89 -1.555 -8.754 2.904 1.00 0.21 H new ATOM 0 HA ALA A 89 -3.987 -7.767 1.867 1.00 0.21 H new ATOM 0 HB1 ALA A 89 -4.769 -8.120 4.169 1.00 0.24 H new ATOM 0 HB2 ALA A 89 -3.814 -9.501 3.580 1.00 0.24 H new ATOM 0 HB3 ALA A 89 -3.086 -8.331 4.706 1.00 0.24 H new ATOM 1332 N LYS A 90 -2.220 -5.671 3.671 1.00 0.24 N ATOM 1333 CA LYS A 90 -2.079 -4.249 3.957 1.00 0.27 C ATOM 1334 C LYS A 90 -1.870 -3.468 2.665 1.00 0.24 C ATOM 1335 O LYS A 90 -2.283 -2.315 2.552 1.00 0.26 O ATOM 1336 CB LYS A 90 -0.936 -3.993 4.939 1.00 0.33 C ATOM 1337 CG LYS A 90 -1.411 -3.843 6.377 1.00 0.46 C ATOM 1338 CD LYS A 90 -2.144 -5.084 6.863 1.00 0.50 C ATOM 1339 CE LYS A 90 -2.943 -4.800 8.123 1.00 0.67 C ATOM 1340 NZ LYS A 90 -2.090 -4.297 9.234 1.00 1.26 N ATOM 0 H LYS A 90 -1.442 -6.250 3.988 1.00 0.24 H new ATOM 0 HA LYS A 90 -3.000 -3.903 4.426 1.00 0.27 H new ATOM 0 HB2 LYS A 90 -0.223 -4.816 4.881 1.00 0.33 H new ATOM 0 HB3 LYS A 90 -0.404 -3.089 4.642 1.00 0.33 H new ATOM 0 HG2 LYS A 90 -0.555 -3.650 7.024 1.00 0.46 H new ATOM 0 HG3 LYS A 90 -2.070 -2.978 6.454 1.00 0.46 H new ATOM 0 HD2 LYS A 90 -2.812 -5.443 6.080 1.00 0.50 H new ATOM 0 HD3 LYS A 90 -1.425 -5.880 7.058 1.00 0.50 H new ATOM 0 HE2 LYS A 90 -3.717 -4.065 7.901 1.00 0.67 H new ATOM 0 HE3 LYS A 90 -3.450 -5.711 8.442 1.00 0.67 H new ATOM 0 HZ1 LYS A 90 -2.664 -4.198 10.095 1.00 1.26 H new ATOM 0 HZ2 LYS A 90 -1.316 -4.969 9.409 1.00 1.26 H new ATOM 0 HZ3 LYS A 90 -1.693 -3.371 8.975 1.00 1.26 H new ATOM 1354 N ALA A 91 -1.235 -4.108 1.691 1.00 0.23 N ATOM 1355 CA ALA A 91 -1.112 -3.540 0.358 1.00 0.22 C ATOM 1356 C ALA A 91 -2.491 -3.411 -0.272 1.00 0.19 C ATOM 1357 O ALA A 91 -2.831 -2.372 -0.831 1.00 0.20 O ATOM 1358 CB ALA A 91 -0.193 -4.396 -0.509 1.00 0.22 C ATOM 0 H ALA A 91 -0.797 -5.023 1.801 1.00 0.23 H new ATOM 0 HA ALA A 91 -0.667 -2.548 0.433 1.00 0.22 H new ATOM 0 HB1 ALA A 91 -0.114 -3.954 -1.502 1.00 0.22 H new ATOM 0 HB2 ALA A 91 0.796 -4.444 -0.054 1.00 0.22 H new ATOM 0 HB3 ALA A 91 -0.604 -5.402 -0.591 1.00 0.22 H new ATOM 1364 N TYR A 92 -3.288 -4.466 -0.146 1.00 0.17 N ATOM 1365 CA TYR A 92 -4.662 -4.459 -0.632 1.00 0.16 C ATOM 1366 C TYR A 92 -5.486 -3.394 0.062 1.00 0.16 C ATOM 1367 O TYR A 92 -6.268 -2.692 -0.573 1.00 0.16 O ATOM 1368 CB TYR A 92 -5.324 -5.818 -0.422 1.00 0.15 C ATOM 1369 CG TYR A 92 -4.965 -6.841 -1.463 1.00 0.15 C ATOM 1370 CD1 TYR A 92 -5.256 -6.625 -2.802 1.00 0.20 C ATOM 1371 CD2 TYR A 92 -4.338 -8.022 -1.108 1.00 0.16 C ATOM 1372 CE1 TYR A 92 -4.928 -7.561 -3.760 1.00 0.22 C ATOM 1373 CE2 TYR A 92 -4.006 -8.963 -2.056 1.00 0.18 C ATOM 1374 CZ TYR A 92 -4.304 -8.729 -3.383 1.00 0.21 C ATOM 1375 OH TYR A 92 -3.976 -9.663 -4.337 1.00 0.24 O ATOM 0 H TYR A 92 -3.003 -5.342 0.292 1.00 0.17 H new ATOM 0 HA TYR A 92 -4.622 -4.238 -1.699 1.00 0.16 H new ATOM 0 HB2 TYR A 92 -5.043 -6.200 0.560 1.00 0.15 H new ATOM 0 HB3 TYR A 92 -6.406 -5.686 -0.415 1.00 0.15 H new ATOM 0 HD1 TYR A 92 -5.747 -5.710 -3.099 1.00 0.20 H new ATOM 0 HD2 TYR A 92 -4.105 -8.209 -0.070 1.00 0.16 H new ATOM 0 HE1 TYR A 92 -5.159 -7.379 -4.799 1.00 0.22 H new ATOM 0 HE2 TYR A 92 -3.515 -9.879 -1.763 1.00 0.18 H new ATOM 0 HH TYR A 92 -3.541 -10.429 -3.908 1.00 0.24 H new ATOM 1385 N ALA A 93 -5.309 -3.280 1.367 1.00 0.20 N ATOM 1386 CA ALA A 93 -6.051 -2.305 2.141 1.00 0.21 C ATOM 1387 C ALA A 93 -5.650 -0.891 1.756 1.00 0.23 C ATOM 1388 O ALA A 93 -6.478 0.008 1.754 1.00 0.26 O ATOM 1389 CB ALA A 93 -5.855 -2.533 3.629 1.00 0.25 C ATOM 0 H ALA A 93 -4.660 -3.849 1.910 1.00 0.20 H new ATOM 0 HA ALA A 93 -7.110 -2.431 1.916 1.00 0.21 H new ATOM 0 HB1 ALA A 93 -6.422 -1.789 4.189 1.00 0.25 H new ATOM 0 HB2 ALA A 93 -6.206 -3.531 3.894 1.00 0.25 H new ATOM 0 HB3 ALA A 93 -4.797 -2.443 3.875 1.00 0.25 H new ATOM 1395 N ARG A 94 -4.379 -0.706 1.422 1.00 0.24 N ATOM 1396 CA ARG A 94 -3.889 0.591 0.973 1.00 0.27 C ATOM 1397 C ARG A 94 -4.378 0.882 -0.441 1.00 0.24 C ATOM 1398 O ARG A 94 -4.670 2.028 -0.780 1.00 0.27 O ATOM 1399 CB ARG A 94 -2.360 0.637 1.040 1.00 0.34 C ATOM 1400 CG ARG A 94 -1.759 1.948 0.551 1.00 0.77 C ATOM 1401 CD ARG A 94 -0.268 2.023 0.846 1.00 0.53 C ATOM 1402 NE ARG A 94 -0.001 2.175 2.278 1.00 0.72 N ATOM 1403 CZ ARG A 94 0.618 1.267 3.034 1.00 0.69 C ATOM 1404 NH1 ARG A 94 1.019 0.112 2.511 1.00 1.50 N ATOM 1405 NH2 ARG A 94 0.832 1.518 4.319 1.00 0.88 N ATOM 0 H ARG A 94 -3.669 -1.438 1.454 1.00 0.24 H new ATOM 0 HA ARG A 94 -4.282 1.361 1.636 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -2.046 0.467 2.070 1.00 0.34 H new ATOM 0 HB3 ARG A 94 -1.955 -0.181 0.444 1.00 0.34 H new ATOM 0 HG2 ARG A 94 -1.924 2.047 -0.522 1.00 0.77 H new ATOM 0 HG3 ARG A 94 -2.268 2.784 1.030 1.00 0.77 H new ATOM 0 HD2 ARG A 94 0.220 1.120 0.480 1.00 0.53 H new ATOM 0 HD3 ARG A 94 0.167 2.863 0.304 1.00 0.53 H new ATOM 0 HE ARG A 94 -0.310 3.036 2.729 1.00 0.72 H new ATOM 0 HH11 ARG A 94 0.854 -0.086 1.524 1.00 1.50 H new ATOM 0 HH12 ARG A 94 1.492 -0.576 3.097 1.00 1.50 H new ATOM 0 HH21 ARG A 94 0.524 2.402 4.724 1.00 0.88 H new ATOM 0 HH22 ARG A 94 1.305 0.827 4.902 1.00 0.88 H new ATOM 1419 N ILE A 95 -4.471 -0.156 -1.262 1.00 0.21 N ATOM 1420 CA ILE A 95 -5.056 -0.022 -2.589 1.00 0.21 C ATOM 1421 C ILE A 95 -6.511 0.383 -2.467 1.00 0.20 C ATOM 1422 O ILE A 95 -6.950 1.369 -3.060 1.00 0.24 O ATOM 1423 CB ILE A 95 -4.964 -1.328 -3.398 1.00 0.19 C ATOM 1424 CG1 ILE A 95 -3.515 -1.672 -3.698 1.00 0.26 C ATOM 1425 CG2 ILE A 95 -5.749 -1.207 -4.690 1.00 0.28 C ATOM 1426 CD1 ILE A 95 -3.349 -2.955 -4.475 1.00 0.22 C ATOM 0 H ILE A 95 -4.150 -1.097 -1.033 1.00 0.21 H new ATOM 0 HA ILE A 95 -4.489 0.743 -3.119 1.00 0.21 H new ATOM 0 HB ILE A 95 -5.394 -2.131 -2.799 1.00 0.19 H new ATOM 0 HG12 ILE A 95 -3.065 -0.855 -4.261 1.00 0.26 H new ATOM 0 HG13 ILE A 95 -2.967 -1.752 -2.759 1.00 0.26 H new ATOM 0 HG21 ILE A 95 -5.674 -2.139 -5.250 1.00 0.28 H new ATOM 0 HG22 ILE A 95 -6.795 -1.004 -4.462 1.00 0.28 H new ATOM 0 HG23 ILE A 95 -5.343 -0.391 -5.287 1.00 0.28 H new ATOM 0 HD11 ILE A 95 -2.289 -3.138 -4.653 1.00 0.22 H new ATOM 0 HD12 ILE A 95 -3.769 -3.783 -3.904 1.00 0.22 H new ATOM 0 HD13 ILE A 95 -3.869 -2.872 -5.430 1.00 0.22 H new ATOM 1438 N GLY A 96 -7.252 -0.374 -1.677 1.00 0.17 N ATOM 1439 CA GLY A 96 -8.627 -0.038 -1.426 1.00 0.18 C ATOM 1440 C GLY A 96 -8.749 1.330 -0.800 1.00 0.20 C ATOM 1441 O GLY A 96 -9.686 2.065 -1.082 1.00 0.23 O ATOM 0 H GLY A 96 -6.921 -1.216 -1.206 1.00 0.17 H new ATOM 0 HA2 GLY A 96 -9.187 -0.064 -2.361 1.00 0.18 H new ATOM 0 HA3 GLY A 96 -9.072 -0.783 -0.767 1.00 0.18 H new ATOM 1445 N ASN A 97 -7.773 1.676 0.030 1.00 0.20 N ATOM 1446 CA ASN A 97 -7.771 2.950 0.730 1.00 0.25 C ATOM 1447 C ASN A 97 -7.520 4.108 -0.229 1.00 0.25 C ATOM 1448 O ASN A 97 -8.115 5.171 -0.087 1.00 0.27 O ATOM 1449 CB ASN A 97 -6.718 2.956 1.841 1.00 0.31 C ATOM 1450 CG ASN A 97 -6.823 4.167 2.747 1.00 0.72 C ATOM 1451 OD1 ASN A 97 -7.908 4.704 2.966 1.00 1.32 O ATOM 1452 ND2 ASN A 97 -5.696 4.602 3.289 1.00 1.64 N ATOM 0 H ASN A 97 -6.967 1.085 0.235 1.00 0.20 H new ATOM 0 HA ASN A 97 -8.757 3.081 1.176 1.00 0.25 H new ATOM 0 HB2 ASN A 97 -6.823 2.051 2.439 1.00 0.31 H new ATOM 0 HB3 ASN A 97 -5.725 2.929 1.393 1.00 0.31 H new ATOM 0 HD21 ASN A 97 -5.708 5.409 3.912 1.00 1.64 H new ATOM 0 HD22 ASN A 97 -4.816 4.130 3.083 1.00 1.64 H new ATOM 1459 N SER A 98 -6.637 3.909 -1.204 1.00 0.26 N ATOM 1460 CA SER A 98 -6.359 4.949 -2.187 1.00 0.29 C ATOM 1461 C SER A 98 -7.616 5.255 -2.993 1.00 0.29 C ATOM 1462 O SER A 98 -7.914 6.413 -3.283 1.00 0.32 O ATOM 1463 CB SER A 98 -5.191 4.546 -3.096 1.00 0.32 C ATOM 1464 OG SER A 98 -5.430 3.326 -3.776 1.00 0.94 O ATOM 0 H SER A 98 -6.108 3.047 -1.333 1.00 0.26 H new ATOM 0 HA SER A 98 -6.062 5.857 -1.663 1.00 0.29 H new ATOM 0 HB2 SER A 98 -5.013 5.336 -3.825 1.00 0.32 H new ATOM 0 HB3 SER A 98 -4.284 4.454 -2.498 1.00 0.32 H new ATOM 0 HG SER A 98 -6.190 2.865 -3.364 1.00 0.94 H new ATOM 1470 N TYR A 99 -8.369 4.209 -3.304 1.00 0.28 N ATOM 1471 CA TYR A 99 -9.655 4.360 -3.966 1.00 0.29 C ATOM 1472 C TYR A 99 -10.679 4.961 -3.007 1.00 0.28 C ATOM 1473 O TYR A 99 -11.453 5.843 -3.374 1.00 0.31 O ATOM 1474 CB TYR A 99 -10.160 3.009 -4.468 1.00 0.26 C ATOM 1475 CG TYR A 99 -9.427 2.471 -5.669 1.00 0.29 C ATOM 1476 CD1 TYR A 99 -9.461 3.136 -6.883 1.00 0.36 C ATOM 1477 CD2 TYR A 99 -8.683 1.308 -5.579 1.00 0.28 C ATOM 1478 CE1 TYR A 99 -8.770 2.656 -7.974 1.00 0.40 C ATOM 1479 CE2 TYR A 99 -7.990 0.816 -6.659 1.00 0.32 C ATOM 1480 CZ TYR A 99 -8.120 1.469 -7.899 1.00 0.37 C ATOM 1481 OH TYR A 99 -7.337 1.013 -8.942 1.00 0.43 O ATOM 0 H TYR A 99 -8.109 3.243 -3.107 1.00 0.28 H new ATOM 0 HA TYR A 99 -9.523 5.030 -4.816 1.00 0.29 H new ATOM 0 HB2 TYR A 99 -10.084 2.284 -3.658 1.00 0.26 H new ATOM 0 HB3 TYR A 99 -11.218 3.101 -4.716 1.00 0.26 H new ATOM 0 HD1 TYR A 99 -10.038 4.044 -6.976 1.00 0.36 H new ATOM 0 HD2 TYR A 99 -8.646 0.776 -4.640 1.00 0.28 H new ATOM 0 HE1 TYR A 99 -8.746 3.227 -8.891 1.00 0.40 H new ATOM 0 HE2 TYR A 99 -7.358 -0.054 -6.558 1.00 0.32 H new ATOM 0 HH TYR A 99 -7.153 0.058 -8.820 1.00 0.43 H new ATOM 1491 N PHE A 100 -10.665 4.468 -1.777 1.00 0.26 N ATOM 1492 CA PHE A 100 -11.534 4.948 -0.703 1.00 0.27 C ATOM 1493 C PHE A 100 -11.362 6.451 -0.511 1.00 0.32 C ATOM 1494 O PHE A 100 -12.319 7.180 -0.261 1.00 0.40 O ATOM 1495 CB PHE A 100 -11.161 4.193 0.580 1.00 0.25 C ATOM 1496 CG PHE A 100 -11.989 4.493 1.799 1.00 0.28 C ATOM 1497 CD1 PHE A 100 -13.296 4.035 1.897 1.00 0.28 C ATOM 1498 CD2 PHE A 100 -11.480 5.269 2.824 1.00 0.38 C ATOM 1499 CE1 PHE A 100 -14.069 4.338 3.000 1.00 0.32 C ATOM 1500 CE2 PHE A 100 -12.252 5.581 3.927 1.00 0.43 C ATOM 1501 CZ PHE A 100 -13.491 4.983 4.087 1.00 0.37 C ATOM 0 H PHE A 100 -10.043 3.713 -1.489 1.00 0.26 H new ATOM 0 HA PHE A 100 -12.579 4.766 -0.953 1.00 0.27 H new ATOM 0 HB2 PHE A 100 -11.226 3.124 0.378 1.00 0.25 H new ATOM 0 HB3 PHE A 100 -10.119 4.411 0.813 1.00 0.25 H new ATOM 0 HD1 PHE A 100 -13.713 3.435 1.101 1.00 0.28 H new ATOM 0 HD2 PHE A 100 -10.466 5.636 2.762 1.00 0.38 H new ATOM 0 HE1 PHE A 100 -15.116 4.075 3.018 1.00 0.32 H new ATOM 0 HE2 PHE A 100 -11.891 6.287 4.660 1.00 0.43 H new ATOM 0 HZ PHE A 100 -13.999 5.017 5.039 1.00 0.37 H new ATOM 1511 N LYS A 101 -10.128 6.897 -0.640 1.00 0.32 N ATOM 1512 CA LYS A 101 -9.773 8.276 -0.477 1.00 0.38 C ATOM 1513 C LYS A 101 -10.074 9.095 -1.738 1.00 0.41 C ATOM 1514 O LYS A 101 -10.229 10.316 -1.671 1.00 0.51 O ATOM 1515 CB LYS A 101 -8.291 8.288 -0.142 1.00 0.44 C ATOM 1516 CG LYS A 101 -7.734 9.604 0.329 1.00 0.57 C ATOM 1517 CD LYS A 101 -8.589 10.253 1.404 1.00 0.68 C ATOM 1518 CE LYS A 101 -8.522 9.487 2.716 1.00 0.63 C ATOM 1519 NZ LYS A 101 -9.360 10.118 3.770 1.00 0.74 N ATOM 0 H LYS A 101 -9.337 6.294 -0.865 1.00 0.32 H new ATOM 0 HA LYS A 101 -10.361 8.741 0.315 1.00 0.38 H new ATOM 0 HB2 LYS A 101 -8.107 7.541 0.630 1.00 0.44 H new ATOM 0 HB3 LYS A 101 -7.736 7.976 -1.027 1.00 0.44 H new ATOM 0 HG2 LYS A 101 -6.727 9.450 0.716 1.00 0.57 H new ATOM 0 HG3 LYS A 101 -7.649 10.282 -0.520 1.00 0.57 H new ATOM 0 HD2 LYS A 101 -8.256 11.278 1.564 1.00 0.68 H new ATOM 0 HD3 LYS A 101 -9.624 10.303 1.065 1.00 0.68 H new ATOM 0 HE2 LYS A 101 -8.853 8.461 2.555 1.00 0.63 H new ATOM 0 HE3 LYS A 101 -7.487 9.438 3.056 1.00 0.63 H new ATOM 0 HZ1 LYS A 101 -9.287 9.566 4.648 1.00 0.74 H new ATOM 0 HZ2 LYS A 101 -9.028 11.088 3.943 1.00 0.74 H new ATOM 0 HZ3 LYS A 101 -10.352 10.142 3.457 1.00 0.74 H new ATOM 1533 N GLU A 102 -10.177 8.424 -2.884 1.00 0.37 N ATOM 1534 CA GLU A 102 -10.415 9.122 -4.144 1.00 0.40 C ATOM 1535 C GLU A 102 -11.879 9.008 -4.579 1.00 0.39 C ATOM 1536 O GLU A 102 -12.253 9.499 -5.648 1.00 0.42 O ATOM 1537 CB GLU A 102 -9.488 8.595 -5.236 1.00 0.40 C ATOM 1538 CG GLU A 102 -10.047 7.443 -6.049 1.00 0.38 C ATOM 1539 CD GLU A 102 -9.094 7.007 -7.143 1.00 0.44 C ATOM 1540 OE1 GLU A 102 -9.145 7.575 -8.246 1.00 0.57 O ATOM 1541 OE2 GLU A 102 -8.293 6.076 -6.902 1.00 0.45 O ATOM 0 H GLU A 102 -10.100 7.410 -2.965 1.00 0.37 H new ATOM 0 HA GLU A 102 -10.197 10.178 -3.984 1.00 0.40 H new ATOM 0 HB2 GLU A 102 -9.246 9.414 -5.913 1.00 0.40 H new ATOM 0 HB3 GLU A 102 -8.553 8.275 -4.775 1.00 0.40 H new ATOM 0 HG2 GLU A 102 -10.253 6.600 -5.390 1.00 0.38 H new ATOM 0 HG3 GLU A 102 -10.997 7.740 -6.493 1.00 0.38 H new ATOM 1548 N GLU A 103 -12.691 8.362 -3.734 1.00 0.36 N ATOM 1549 CA GLU A 103 -14.132 8.175 -3.969 1.00 0.35 C ATOM 1550 C GLU A 103 -14.424 7.040 -4.958 1.00 0.35 C ATOM 1551 O GLU A 103 -15.546 6.909 -5.445 1.00 0.45 O ATOM 1552 CB GLU A 103 -14.806 9.473 -4.433 1.00 0.38 C ATOM 1553 CG GLU A 103 -14.846 10.555 -3.367 1.00 1.11 C ATOM 1554 CD GLU A 103 -15.380 11.868 -3.896 1.00 1.17 C ATOM 1555 OE1 GLU A 103 -16.607 11.980 -4.100 1.00 1.47 O ATOM 1556 OE2 GLU A 103 -14.571 12.797 -4.111 1.00 1.31 O ATOM 0 H GLU A 103 -12.366 7.950 -2.859 1.00 0.36 H new ATOM 0 HA GLU A 103 -14.559 7.891 -3.007 1.00 0.35 H new ATOM 0 HB2 GLU A 103 -14.277 9.855 -5.306 1.00 0.38 H new ATOM 0 HB3 GLU A 103 -15.825 9.250 -4.750 1.00 0.38 H new ATOM 0 HG2 GLU A 103 -15.469 10.221 -2.537 1.00 1.11 H new ATOM 0 HG3 GLU A 103 -13.842 10.708 -2.971 1.00 1.11 H new ATOM 1563 N LYS A 104 -13.429 6.210 -5.233 1.00 0.32 N ATOM 1564 CA LYS A 104 -13.635 5.015 -6.048 1.00 0.31 C ATOM 1565 C LYS A 104 -13.948 3.826 -5.154 1.00 0.28 C ATOM 1566 O LYS A 104 -13.236 2.824 -5.147 1.00 0.27 O ATOM 1567 CB LYS A 104 -12.408 4.720 -6.908 1.00 0.34 C ATOM 1568 CG LYS A 104 -12.349 5.549 -8.176 1.00 0.64 C ATOM 1569 CD LYS A 104 -11.228 5.109 -9.099 1.00 0.47 C ATOM 1570 CE LYS A 104 -11.198 5.945 -10.367 1.00 1.11 C ATOM 1571 NZ LYS A 104 -11.071 7.397 -10.070 1.00 1.89 N ATOM 0 H LYS A 104 -12.471 6.339 -4.906 1.00 0.32 H new ATOM 0 HA LYS A 104 -14.479 5.195 -6.714 1.00 0.31 H new ATOM 0 HB2 LYS A 104 -11.509 4.904 -6.320 1.00 0.34 H new ATOM 0 HB3 LYS A 104 -12.405 3.663 -7.173 1.00 0.34 H new ATOM 0 HG2 LYS A 104 -13.301 5.473 -8.702 1.00 0.64 H new ATOM 0 HG3 LYS A 104 -12.212 6.598 -7.915 1.00 0.64 H new ATOM 0 HD2 LYS A 104 -10.273 5.195 -8.581 1.00 0.47 H new ATOM 0 HD3 LYS A 104 -11.357 4.058 -9.357 1.00 0.47 H new ATOM 0 HE2 LYS A 104 -10.363 5.628 -10.992 1.00 1.11 H new ATOM 0 HE3 LYS A 104 -12.109 5.770 -10.939 1.00 1.11 H new ATOM 0 HZ1 LYS A 104 -10.535 7.861 -10.830 1.00 1.89 H new ATOM 0 HZ2 LYS A 104 -12.018 7.822 -10.005 1.00 1.89 H new ATOM 0 HZ3 LYS A 104 -10.572 7.524 -9.167 1.00 1.89 H new ATOM 1585 N TYR A 105 -15.026 3.953 -4.397 1.00 0.28 N ATOM 1586 CA TYR A 105 -15.396 2.951 -3.404 1.00 0.25 C ATOM 1587 C TYR A 105 -15.707 1.600 -4.038 1.00 0.26 C ATOM 1588 O TYR A 105 -15.540 0.565 -3.395 1.00 0.25 O ATOM 1589 CB TYR A 105 -16.579 3.436 -2.566 1.00 0.26 C ATOM 1590 CG TYR A 105 -16.282 4.731 -1.851 1.00 0.29 C ATOM 1591 CD1 TYR A 105 -15.497 4.756 -0.708 1.00 0.29 C ATOM 1592 CD2 TYR A 105 -16.810 5.928 -2.308 1.00 0.34 C ATOM 1593 CE1 TYR A 105 -15.246 5.939 -0.045 1.00 0.34 C ATOM 1594 CE2 TYR A 105 -16.567 7.114 -1.649 1.00 0.39 C ATOM 1595 CZ TYR A 105 -15.689 7.113 -0.552 1.00 0.38 C ATOM 1596 OH TYR A 105 -15.540 8.297 0.148 1.00 0.46 O ATOM 0 H TYR A 105 -15.666 4.746 -4.451 1.00 0.28 H new ATOM 0 HA TYR A 105 -14.534 2.811 -2.751 1.00 0.25 H new ATOM 0 HB2 TYR A 105 -17.447 3.571 -3.211 1.00 0.26 H new ATOM 0 HB3 TYR A 105 -16.841 2.672 -1.834 1.00 0.26 H new ATOM 0 HD1 TYR A 105 -15.076 3.835 -0.332 1.00 0.29 H new ATOM 0 HD2 TYR A 105 -17.423 5.932 -3.197 1.00 0.34 H new ATOM 0 HE1 TYR A 105 -14.693 5.928 0.883 1.00 0.34 H new ATOM 0 HE2 TYR A 105 -17.043 8.028 -1.970 1.00 0.39 H new ATOM 0 HH TYR A 105 -15.918 9.035 -0.374 1.00 0.46 H new ATOM 1606 N LYS A 106 -16.135 1.605 -5.296 1.00 0.31 N ATOM 1607 CA LYS A 106 -16.393 0.359 -6.010 1.00 0.35 C ATOM 1608 C LYS A 106 -15.115 -0.476 -6.063 1.00 0.31 C ATOM 1609 O LYS A 106 -15.108 -1.656 -5.699 1.00 0.31 O ATOM 1610 CB LYS A 106 -16.887 0.640 -7.433 1.00 0.44 C ATOM 1611 CG LYS A 106 -18.120 1.525 -7.498 1.00 0.56 C ATOM 1612 CD LYS A 106 -18.442 1.917 -8.932 1.00 0.78 C ATOM 1613 CE LYS A 106 -19.672 2.808 -9.012 1.00 0.94 C ATOM 1614 NZ LYS A 106 -20.916 2.081 -8.643 1.00 1.57 N ATOM 0 H LYS A 106 -16.310 2.451 -5.839 1.00 0.31 H new ATOM 0 HA LYS A 106 -17.169 -0.192 -5.478 1.00 0.35 H new ATOM 0 HB2 LYS A 106 -16.084 1.112 -7.998 1.00 0.44 H new ATOM 0 HB3 LYS A 106 -17.107 -0.308 -7.924 1.00 0.44 H new ATOM 0 HG2 LYS A 106 -18.970 1.001 -7.062 1.00 0.56 H new ATOM 0 HG3 LYS A 106 -17.958 2.422 -6.901 1.00 0.56 H new ATOM 0 HD2 LYS A 106 -17.588 2.436 -9.367 1.00 0.78 H new ATOM 0 HD3 LYS A 106 -18.605 1.018 -9.527 1.00 0.78 H new ATOM 0 HE2 LYS A 106 -19.543 3.664 -8.349 1.00 0.94 H new ATOM 0 HE3 LYS A 106 -19.769 3.201 -10.024 1.00 0.94 H new ATOM 0 HZ1 LYS A 106 -21.722 2.488 -9.159 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 -20.817 1.076 -8.891 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 -21.080 2.170 -7.620 1.00 1.57 H new ATOM 1628 N ASP A 107 -14.030 0.162 -6.490 1.00 0.30 N ATOM 1629 CA ASP A 107 -12.726 -0.488 -6.559 1.00 0.29 C ATOM 1630 C ASP A 107 -12.143 -0.676 -5.167 1.00 0.23 C ATOM 1631 O ASP A 107 -11.450 -1.660 -4.906 1.00 0.21 O ATOM 1632 CB ASP A 107 -11.760 0.326 -7.425 1.00 0.33 C ATOM 1633 CG ASP A 107 -11.870 -0.009 -8.899 1.00 0.46 C ATOM 1634 OD1 ASP A 107 -12.705 0.609 -9.593 1.00 0.64 O ATOM 1635 OD2 ASP A 107 -11.122 -0.894 -9.373 1.00 0.67 O ATOM 0 H ASP A 107 -14.029 1.135 -6.795 1.00 0.30 H new ATOM 0 HA ASP A 107 -12.864 -1.468 -7.015 1.00 0.29 H new ATOM 0 HB2 ASP A 107 -11.958 1.388 -7.283 1.00 0.33 H new ATOM 0 HB3 ASP A 107 -10.738 0.145 -7.091 1.00 0.33 H new ATOM 1640 N ALA A 108 -12.432 0.272 -4.278 1.00 0.22 N ATOM 1641 CA ALA A 108 -11.974 0.202 -2.893 1.00 0.18 C ATOM 1642 C ALA A 108 -12.347 -1.135 -2.267 1.00 0.16 C ATOM 1643 O ALA A 108 -11.486 -1.887 -1.814 1.00 0.16 O ATOM 1644 CB ALA A 108 -12.564 1.346 -2.074 1.00 0.18 C ATOM 0 H ALA A 108 -12.984 1.102 -4.494 1.00 0.22 H new ATOM 0 HA ALA A 108 -10.888 0.294 -2.893 1.00 0.18 H new ATOM 0 HB1 ALA A 108 -12.211 1.277 -1.045 1.00 0.18 H new ATOM 0 HB2 ALA A 108 -12.251 2.299 -2.501 1.00 0.18 H new ATOM 0 HB3 ALA A 108 -13.652 1.281 -2.090 1.00 0.18 H new ATOM 1650 N ILE A 109 -13.638 -1.428 -2.285 1.00 0.17 N ATOM 1651 CA ILE A 109 -14.174 -2.639 -1.682 1.00 0.18 C ATOM 1652 C ILE A 109 -13.635 -3.892 -2.366 1.00 0.19 C ATOM 1653 O ILE A 109 -13.407 -4.914 -1.714 1.00 0.20 O ATOM 1654 CB ILE A 109 -15.714 -2.615 -1.737 1.00 0.21 C ATOM 1655 CG1 ILE A 109 -16.226 -1.436 -0.923 1.00 0.22 C ATOM 1656 CG2 ILE A 109 -16.300 -3.907 -1.206 1.00 0.24 C ATOM 1657 CD1 ILE A 109 -17.514 -0.849 -1.442 1.00 0.51 C ATOM 0 H ILE A 109 -14.344 -0.833 -2.718 1.00 0.17 H new ATOM 0 HA ILE A 109 -13.852 -2.670 -0.641 1.00 0.18 H new ATOM 0 HB ILE A 109 -16.025 -2.509 -2.776 1.00 0.21 H new ATOM 0 HG12 ILE A 109 -16.374 -1.756 0.108 1.00 0.22 H new ATOM 0 HG13 ILE A 109 -15.463 -0.658 -0.909 1.00 0.22 H new ATOM 0 HG21 ILE A 109 -17.388 -3.861 -1.257 1.00 0.24 H new ATOM 0 HG22 ILE A 109 -15.943 -4.743 -1.808 1.00 0.24 H new ATOM 0 HG23 ILE A 109 -15.991 -4.048 -0.170 1.00 0.24 H new ATOM 0 HD11 ILE A 109 -17.814 -0.014 -0.809 1.00 0.51 H new ATOM 0 HD12 ILE A 109 -17.368 -0.497 -2.463 1.00 0.51 H new ATOM 0 HD13 ILE A 109 -18.293 -1.612 -1.429 1.00 0.51 H new ATOM 1669 N HIS A 110 -13.406 -3.804 -3.673 1.00 0.20 N ATOM 1670 CA HIS A 110 -12.855 -4.926 -4.426 1.00 0.23 C ATOM 1671 C HIS A 110 -11.537 -5.381 -3.810 1.00 0.20 C ATOM 1672 O HIS A 110 -11.365 -6.556 -3.482 1.00 0.23 O ATOM 1673 CB HIS A 110 -12.631 -4.545 -5.894 1.00 0.27 C ATOM 1674 CG HIS A 110 -12.076 -5.661 -6.733 1.00 0.32 C ATOM 1675 ND1 HIS A 110 -12.864 -6.553 -7.420 1.00 0.40 N ATOM 1676 CD2 HIS A 110 -10.796 -6.022 -6.995 1.00 0.34 C ATOM 1677 CE1 HIS A 110 -12.097 -7.410 -8.065 1.00 0.44 C ATOM 1678 NE2 HIS A 110 -10.837 -7.109 -7.831 1.00 0.40 N ATOM 0 H HIS A 110 -13.593 -2.971 -4.231 1.00 0.20 H new ATOM 0 HA HIS A 110 -13.575 -5.743 -4.383 1.00 0.23 H new ATOM 0 HB2 HIS A 110 -13.578 -4.217 -6.323 1.00 0.27 H new ATOM 0 HB3 HIS A 110 -11.949 -3.696 -5.939 1.00 0.27 H new ATOM 0 HD1 HIS A 110 -13.884 -6.552 -7.430 1.00 0.40 H new ATOM 0 HD2 HIS A 110 -9.906 -5.542 -6.615 1.00 0.34 H new ATOM 0 HE1 HIS A 110 -12.445 -8.224 -8.683 1.00 0.44 H new ATOM 1687 N PHE A 111 -10.619 -4.443 -3.649 1.00 0.18 N ATOM 1688 CA PHE A 111 -9.298 -4.746 -3.116 1.00 0.17 C ATOM 1689 C PHE A 111 -9.345 -4.923 -1.605 1.00 0.16 C ATOM 1690 O PHE A 111 -8.479 -5.574 -1.026 1.00 0.20 O ATOM 1691 CB PHE A 111 -8.310 -3.655 -3.507 1.00 0.17 C ATOM 1692 CG PHE A 111 -8.067 -3.595 -4.988 1.00 0.21 C ATOM 1693 CD1 PHE A 111 -7.169 -4.458 -5.592 1.00 0.22 C ATOM 1694 CD2 PHE A 111 -8.745 -2.679 -5.777 1.00 0.26 C ATOM 1695 CE1 PHE A 111 -6.950 -4.409 -6.955 1.00 0.27 C ATOM 1696 CE2 PHE A 111 -8.529 -2.628 -7.140 1.00 0.31 C ATOM 1697 CZ PHE A 111 -7.604 -3.472 -7.724 1.00 0.32 C ATOM 0 H PHE A 111 -10.764 -3.460 -3.880 1.00 0.18 H new ATOM 0 HA PHE A 111 -8.961 -5.688 -3.547 1.00 0.17 H new ATOM 0 HB2 PHE A 111 -8.686 -2.691 -3.166 1.00 0.17 H new ATOM 0 HB3 PHE A 111 -7.364 -3.827 -2.995 1.00 0.17 H new ATOM 0 HD1 PHE A 111 -6.633 -5.178 -4.991 1.00 0.22 H new ATOM 0 HD2 PHE A 111 -9.449 -1.999 -5.321 1.00 0.26 H new ATOM 0 HE1 PHE A 111 -6.266 -5.105 -7.418 1.00 0.27 H new ATOM 0 HE2 PHE A 111 -9.083 -1.929 -7.749 1.00 0.31 H new ATOM 0 HZ PHE A 111 -7.394 -3.397 -8.781 1.00 0.32 H new ATOM 1707 N TYR A 112 -10.360 -4.354 -0.965 1.00 0.15 N ATOM 1708 CA TYR A 112 -10.590 -4.613 0.447 1.00 0.17 C ATOM 1709 C TYR A 112 -10.871 -6.092 0.660 1.00 0.20 C ATOM 1710 O TYR A 112 -10.210 -6.741 1.462 1.00 0.22 O ATOM 1711 CB TYR A 112 -11.754 -3.782 0.994 1.00 0.17 C ATOM 1712 CG TYR A 112 -11.423 -2.330 1.272 1.00 0.19 C ATOM 1713 CD1 TYR A 112 -10.131 -1.955 1.617 1.00 0.21 C ATOM 1714 CD2 TYR A 112 -12.387 -1.335 1.163 1.00 0.20 C ATOM 1715 CE1 TYR A 112 -9.813 -0.637 1.852 1.00 0.25 C ATOM 1716 CE2 TYR A 112 -12.073 -0.013 1.392 1.00 0.23 C ATOM 1717 CZ TYR A 112 -10.844 0.326 1.825 1.00 0.25 C ATOM 1718 OH TYR A 112 -10.476 1.647 1.957 1.00 0.32 O ATOM 0 H TYR A 112 -11.029 -3.717 -1.398 1.00 0.15 H new ATOM 0 HA TYR A 112 -9.690 -4.325 0.989 1.00 0.17 H new ATOM 0 HB2 TYR A 112 -12.577 -3.822 0.281 1.00 0.17 H new ATOM 0 HB3 TYR A 112 -12.109 -4.242 1.916 1.00 0.17 H new ATOM 0 HD1 TYR A 112 -9.364 -2.710 1.702 1.00 0.21 H new ATOM 0 HD2 TYR A 112 -13.398 -1.602 0.895 1.00 0.20 H new ATOM 0 HE1 TYR A 112 -8.793 -0.345 2.053 1.00 0.25 H new ATOM 0 HE2 TYR A 112 -12.815 0.754 1.224 1.00 0.23 H new ATOM 0 HH TYR A 112 -11.249 2.175 2.247 1.00 0.32 H new ATOM 1728 N ASN A 113 -11.831 -6.628 -0.086 1.00 0.22 N ATOM 1729 CA ASN A 113 -12.173 -8.043 -0.003 1.00 0.28 C ATOM 1730 C ASN A 113 -10.987 -8.910 -0.415 1.00 0.27 C ATOM 1731 O ASN A 113 -10.888 -10.072 -0.025 1.00 0.31 O ATOM 1732 CB ASN A 113 -13.379 -8.345 -0.892 1.00 0.34 C ATOM 1733 CG ASN A 113 -14.664 -7.705 -0.392 1.00 1.02 C ATOM 1734 OD1 ASN A 113 -15.528 -7.323 -1.182 1.00 1.77 O ATOM 1735 ND2 ASN A 113 -14.813 -7.605 0.920 1.00 1.23 N ATOM 0 H ASN A 113 -12.388 -6.101 -0.758 1.00 0.22 H new ATOM 0 HA ASN A 113 -12.427 -8.276 1.031 1.00 0.28 H new ATOM 0 HB2 ASN A 113 -13.175 -7.993 -1.903 1.00 0.34 H new ATOM 0 HB3 ASN A 113 -13.517 -9.425 -0.952 1.00 0.34 H new ATOM 0 HD21 ASN A 113 -15.666 -7.201 1.307 1.00 1.23 H new ATOM 0 HD22 ASN A 113 -14.075 -7.932 1.543 1.00 1.23 H new ATOM 1742 N LYS A 114 -10.092 -8.330 -1.207 1.00 0.25 N ATOM 1743 CA LYS A 114 -8.842 -8.982 -1.579 1.00 0.24 C ATOM 1744 C LYS A 114 -7.891 -9.038 -0.384 1.00 0.21 C ATOM 1745 O LYS A 114 -7.093 -9.962 -0.253 1.00 0.23 O ATOM 1746 CB LYS A 114 -8.186 -8.225 -2.717 1.00 0.26 C ATOM 1747 CG LYS A 114 -8.926 -8.309 -4.037 1.00 0.34 C ATOM 1748 CD LYS A 114 -8.111 -9.092 -5.034 1.00 0.37 C ATOM 1749 CE LYS A 114 -8.529 -8.808 -6.457 1.00 0.48 C ATOM 1750 NZ LYS A 114 -7.718 -9.578 -7.439 1.00 1.25 N ATOM 0 H LYS A 114 -10.211 -7.400 -1.607 1.00 0.25 H new ATOM 0 HA LYS A 114 -9.063 -10.000 -1.900 1.00 0.24 H new ATOM 0 HB2 LYS A 114 -8.093 -7.177 -2.433 1.00 0.26 H new ATOM 0 HB3 LYS A 114 -7.175 -8.608 -2.857 1.00 0.26 H new ATOM 0 HG2 LYS A 114 -9.895 -8.787 -3.891 1.00 0.34 H new ATOM 0 HG3 LYS A 114 -9.120 -7.307 -4.420 1.00 0.34 H new ATOM 0 HD2 LYS A 114 -7.056 -8.848 -4.911 1.00 0.37 H new ATOM 0 HD3 LYS A 114 -8.217 -10.158 -4.831 1.00 0.37 H new ATOM 0 HE2 LYS A 114 -9.583 -9.057 -6.582 1.00 0.48 H new ATOM 0 HE3 LYS A 114 -8.427 -7.742 -6.659 1.00 0.48 H new ATOM 0 HZ1 LYS A 114 -8.037 -9.355 -8.403 1.00 1.25 H new ATOM 0 HZ2 LYS A 114 -6.715 -9.322 -7.338 1.00 1.25 H new ATOM 0 HZ3 LYS A 114 -7.835 -10.596 -7.263 1.00 1.25 H new ATOM 1764 N SER A 115 -7.970 -8.033 0.479 1.00 0.20 N ATOM 1765 CA SER A 115 -7.211 -8.037 1.717 1.00 0.21 C ATOM 1766 C SER A 115 -7.797 -9.082 2.652 1.00 0.25 C ATOM 1767 O SER A 115 -7.069 -9.855 3.263 1.00 0.28 O ATOM 1768 CB SER A 115 -7.241 -6.660 2.379 1.00 0.23 C ATOM 1769 OG SER A 115 -6.427 -6.625 3.533 1.00 1.04 O ATOM 0 H SER A 115 -8.552 -7.207 0.342 1.00 0.20 H new ATOM 0 HA SER A 115 -6.171 -8.279 1.497 1.00 0.21 H new ATOM 0 HB2 SER A 115 -6.901 -5.906 1.669 1.00 0.23 H new ATOM 0 HB3 SER A 115 -8.266 -6.406 2.647 1.00 0.23 H new ATOM 0 HG SER A 115 -5.752 -5.922 3.436 1.00 1.04 H new ATOM 1775 N LEU A 116 -9.129 -9.114 2.733 1.00 0.26 N ATOM 1776 CA LEU A 116 -9.827 -10.157 3.478 1.00 0.31 C ATOM 1777 C LEU A 116 -9.454 -11.530 2.922 1.00 0.33 C ATOM 1778 O LEU A 116 -9.455 -12.529 3.639 1.00 0.38 O ATOM 1779 CB LEU A 116 -11.356 -9.975 3.411 1.00 0.34 C ATOM 1780 CG LEU A 116 -11.975 -8.902 4.331 1.00 0.36 C ATOM 1781 CD1 LEU A 116 -11.383 -8.971 5.719 1.00 0.38 C ATOM 1782 CD2 LEU A 116 -11.820 -7.504 3.761 1.00 0.35 C ATOM 0 H LEU A 116 -9.743 -8.429 2.291 1.00 0.26 H new ATOM 0 HA LEU A 116 -9.521 -10.082 4.521 1.00 0.31 H new ATOM 0 HB2 LEU A 116 -11.624 -9.734 2.382 1.00 0.34 H new ATOM 0 HB3 LEU A 116 -11.822 -10.932 3.646 1.00 0.34 H new ATOM 0 HG LEU A 116 -13.042 -9.117 4.394 1.00 0.36 H new ATOM 0 HD11 LEU A 116 -11.837 -8.204 6.347 1.00 0.38 H new ATOM 0 HD12 LEU A 116 -11.577 -9.954 6.149 1.00 0.38 H new ATOM 0 HD13 LEU A 116 -10.307 -8.805 5.664 1.00 0.38 H new ATOM 0 HD21 LEU A 116 -12.270 -6.782 4.442 1.00 0.35 H new ATOM 0 HD22 LEU A 116 -10.761 -7.276 3.639 1.00 0.35 H new ATOM 0 HD23 LEU A 116 -12.317 -7.449 2.793 1.00 0.35 H new ATOM 1794 N ALA A 117 -9.126 -11.552 1.634 1.00 0.31 N ATOM 1795 CA ALA A 117 -8.725 -12.768 0.942 1.00 0.33 C ATOM 1796 C ALA A 117 -7.381 -13.285 1.461 1.00 0.33 C ATOM 1797 O ALA A 117 -7.247 -14.463 1.795 1.00 0.41 O ATOM 1798 CB ALA A 117 -8.660 -12.503 -0.560 1.00 0.32 C ATOM 0 H ALA A 117 -9.131 -10.723 1.040 1.00 0.31 H new ATOM 0 HA ALA A 117 -9.468 -13.541 1.137 1.00 0.33 H new ATOM 0 HB1 ALA A 117 -8.360 -13.414 -1.078 1.00 0.32 H new ATOM 0 HB2 ALA A 117 -9.641 -12.190 -0.917 1.00 0.32 H new ATOM 0 HB3 ALA A 117 -7.933 -11.716 -0.759 1.00 0.32 H new ATOM 1804 N GLU A 118 -6.392 -12.403 1.544 1.00 0.29 N ATOM 1805 CA GLU A 118 -5.058 -12.796 1.986 1.00 0.30 C ATOM 1806 C GLU A 118 -4.943 -12.819 3.511 1.00 0.32 C ATOM 1807 O GLU A 118 -4.475 -13.798 4.090 1.00 0.36 O ATOM 1808 CB GLU A 118 -3.997 -11.864 1.396 1.00 0.27 C ATOM 1809 CG GLU A 118 -3.705 -12.123 -0.072 1.00 0.30 C ATOM 1810 CD GLU A 118 -3.236 -13.542 -0.324 1.00 0.41 C ATOM 1811 OE1 GLU A 118 -2.309 -14.000 0.377 1.00 0.53 O ATOM 1812 OE2 GLU A 118 -3.803 -14.215 -1.212 1.00 0.53 O ATOM 0 H GLU A 118 -6.487 -11.414 1.312 1.00 0.29 H new ATOM 0 HA GLU A 118 -4.887 -13.810 1.624 1.00 0.30 H new ATOM 0 HB2 GLU A 118 -4.326 -10.832 1.515 1.00 0.27 H new ATOM 0 HB3 GLU A 118 -3.074 -11.972 1.966 1.00 0.27 H new ATOM 0 HG2 GLU A 118 -4.603 -11.930 -0.658 1.00 0.30 H new ATOM 0 HG3 GLU A 118 -2.943 -11.424 -0.417 1.00 0.30 H new ATOM 1819 N HIS A 119 -5.378 -11.749 4.155 1.00 0.32 N ATOM 1820 CA HIS A 119 -5.249 -11.611 5.602 1.00 0.36 C ATOM 1821 C HIS A 119 -6.456 -10.864 6.165 1.00 0.37 C ATOM 1822 O HIS A 119 -6.508 -9.634 6.155 1.00 0.36 O ATOM 1823 CB HIS A 119 -3.917 -10.905 5.921 1.00 0.35 C ATOM 1824 CG HIS A 119 -3.754 -10.359 7.308 1.00 0.40 C ATOM 1825 ND1 HIS A 119 -2.983 -9.247 7.582 1.00 0.42 N ATOM 1826 CD2 HIS A 119 -4.201 -10.800 8.496 1.00 0.45 C ATOM 1827 CE1 HIS A 119 -2.959 -9.042 8.882 1.00 0.48 C ATOM 1828 NE2 HIS A 119 -3.689 -9.972 9.459 1.00 0.50 N ATOM 0 H HIS A 119 -5.827 -10.956 3.697 1.00 0.32 H new ATOM 0 HA HIS A 119 -5.232 -12.591 6.080 1.00 0.36 H new ATOM 0 HB2 HIS A 119 -3.107 -11.610 5.737 1.00 0.35 H new ATOM 0 HB3 HIS A 119 -3.791 -10.083 5.216 1.00 0.35 H new ATOM 0 HD2 HIS A 119 -4.845 -11.651 8.661 1.00 0.45 H new ATOM 0 HE1 HIS A 119 -2.431 -8.247 9.388 1.00 0.48 H new ATOM 0 HE2 HIS A 119 -3.848 -10.062 10.463 1.00 0.50 H new ATOM 1837 N ARG A 120 -7.416 -11.630 6.666 1.00 0.41 N ATOM 1838 CA ARG A 120 -8.649 -11.072 7.199 1.00 0.43 C ATOM 1839 C ARG A 120 -8.379 -10.263 8.459 1.00 0.46 C ATOM 1840 O ARG A 120 -7.879 -10.786 9.456 1.00 0.53 O ATOM 1841 CB ARG A 120 -9.662 -12.185 7.483 1.00 0.49 C ATOM 1842 CG ARG A 120 -10.904 -11.713 8.222 1.00 0.55 C ATOM 1843 CD ARG A 120 -11.967 -12.795 8.285 1.00 0.62 C ATOM 1844 NE ARG A 120 -11.513 -13.978 9.013 1.00 1.38 N ATOM 1845 CZ ARG A 120 -12.337 -14.910 9.492 1.00 1.78 C ATOM 1846 NH1 ARG A 120 -13.648 -14.800 9.303 1.00 1.57 N ATOM 1847 NH2 ARG A 120 -11.852 -15.956 10.152 1.00 2.87 N ATOM 0 H ARG A 120 -7.362 -12.647 6.714 1.00 0.41 H new ATOM 0 HA ARG A 120 -9.070 -10.402 6.450 1.00 0.43 H new ATOM 0 HB2 ARG A 120 -9.963 -12.638 6.539 1.00 0.49 H new ATOM 0 HB3 ARG A 120 -9.176 -12.964 8.070 1.00 0.49 H new ATOM 0 HG2 ARG A 120 -10.632 -11.411 9.233 1.00 0.55 H new ATOM 0 HG3 ARG A 120 -11.310 -10.832 7.725 1.00 0.55 H new ATOM 0 HD2 ARG A 120 -12.860 -12.396 8.766 1.00 0.62 H new ATOM 0 HD3 ARG A 120 -12.251 -13.081 7.272 1.00 0.62 H new ATOM 0 HE ARG A 120 -10.511 -14.097 9.163 1.00 1.38 H new ATOM 0 HH11 ARG A 120 -14.024 -14.002 8.791 1.00 1.57 H new ATOM 0 HH12 ARG A 120 -14.278 -15.514 9.670 1.00 1.57 H new ATOM 0 HH21 ARG A 120 -10.846 -16.048 10.294 1.00 2.87 H new ATOM 0 HH22 ARG A 120 -12.486 -16.667 10.517 1.00 2.87 H new ATOM 1861 N THR A 121 -8.702 -8.985 8.395 1.00 0.45 N ATOM 1862 CA THR A 121 -8.519 -8.086 9.513 1.00 0.50 C ATOM 1863 C THR A 121 -9.689 -7.127 9.632 1.00 0.49 C ATOM 1864 O THR A 121 -10.192 -6.596 8.637 1.00 0.47 O ATOM 1865 CB THR A 121 -7.212 -7.293 9.385 1.00 0.53 C ATOM 1866 OG1 THR A 121 -6.972 -6.946 8.015 1.00 0.52 O ATOM 1867 CG2 THR A 121 -6.041 -8.081 9.930 1.00 0.62 C ATOM 0 H THR A 121 -9.098 -8.543 7.565 1.00 0.45 H new ATOM 0 HA THR A 121 -8.466 -8.697 10.414 1.00 0.50 H new ATOM 0 HB THR A 121 -7.315 -6.380 9.972 1.00 0.53 H new ATOM 0 HG1 THR A 121 -6.136 -6.439 7.948 1.00 0.52 H new ATOM 0 HG21 THR A 121 -5.128 -7.495 9.826 1.00 0.62 H new ATOM 0 HG22 THR A 121 -6.211 -8.304 10.983 1.00 0.62 H new ATOM 0 HG23 THR A 121 -5.939 -9.013 9.374 1.00 0.62 H new ATOM 1875 N PRO A 122 -10.144 -6.940 10.879 1.00 0.56 N ATOM 1876 CA PRO A 122 -11.270 -6.073 11.242 1.00 0.56 C ATOM 1877 C PRO A 122 -11.210 -4.683 10.616 1.00 0.51 C ATOM 1878 O PRO A 122 -12.244 -4.094 10.332 1.00 0.50 O ATOM 1879 CB PRO A 122 -11.157 -5.962 12.772 1.00 0.65 C ATOM 1880 CG PRO A 122 -9.828 -6.555 13.101 1.00 0.76 C ATOM 1881 CD PRO A 122 -9.597 -7.595 12.070 1.00 0.69 C ATOM 0 HA PRO A 122 -12.210 -6.492 10.882 1.00 0.56 H new ATOM 0 HB2 PRO A 122 -11.219 -4.924 13.099 1.00 0.65 H new ATOM 0 HB3 PRO A 122 -11.964 -6.501 13.268 1.00 0.65 H new ATOM 0 HG2 PRO A 122 -9.044 -5.798 13.079 1.00 0.76 H new ATOM 0 HG3 PRO A 122 -9.827 -6.986 14.102 1.00 0.76 H new ATOM 0 HD2 PRO A 122 -8.540 -7.836 11.958 1.00 0.69 H new ATOM 0 HD3 PRO A 122 -10.114 -8.526 12.302 1.00 0.69 H new ATOM 1889 N ASP A 123 -10.003 -4.164 10.404 1.00 0.50 N ATOM 1890 CA ASP A 123 -9.838 -2.821 9.849 1.00 0.48 C ATOM 1891 C ASP A 123 -10.261 -2.757 8.389 1.00 0.40 C ATOM 1892 O ASP A 123 -11.008 -1.864 8.001 1.00 0.40 O ATOM 1893 CB ASP A 123 -8.400 -2.338 9.997 1.00 0.55 C ATOM 1894 CG ASP A 123 -8.147 -1.025 9.271 1.00 1.42 C ATOM 1895 OD1 ASP A 123 -8.769 -0.009 9.644 1.00 2.20 O ATOM 1896 OD2 ASP A 123 -7.334 -1.001 8.319 1.00 2.06 O ATOM 0 H ASP A 123 -9.129 -4.649 10.606 1.00 0.50 H new ATOM 0 HA ASP A 123 -10.491 -2.160 10.420 1.00 0.48 H new ATOM 0 HB2 ASP A 123 -8.169 -2.214 11.055 1.00 0.55 H new ATOM 0 HB3 ASP A 123 -7.723 -3.099 9.610 1.00 0.55 H new ATOM 1901 N VAL A 124 -9.803 -3.700 7.574 1.00 0.35 N ATOM 1902 CA VAL A 124 -10.181 -3.696 6.167 1.00 0.29 C ATOM 1903 C VAL A 124 -11.642 -4.080 6.027 1.00 0.28 C ATOM 1904 O VAL A 124 -12.329 -3.626 5.121 1.00 0.28 O ATOM 1905 CB VAL A 124 -9.349 -4.658 5.304 1.00 0.28 C ATOM 1906 CG1 VAL A 124 -9.539 -4.327 3.835 1.00 0.32 C ATOM 1907 CG2 VAL A 124 -7.878 -4.629 5.675 1.00 0.31 C ATOM 0 H VAL A 124 -9.184 -4.460 7.854 1.00 0.35 H new ATOM 0 HA VAL A 124 -9.995 -2.684 5.809 1.00 0.29 H new ATOM 0 HB VAL A 124 -9.705 -5.671 5.494 1.00 0.28 H new ATOM 0 HG11 VAL A 124 -8.947 -5.012 3.228 1.00 0.32 H new ATOM 0 HG12 VAL A 124 -10.592 -4.427 3.573 1.00 0.32 H new ATOM 0 HG13 VAL A 124 -9.215 -3.303 3.648 1.00 0.32 H new ATOM 0 HG21 VAL A 124 -7.329 -5.324 5.040 1.00 0.31 H new ATOM 0 HG22 VAL A 124 -7.487 -3.621 5.534 1.00 0.31 H new ATOM 0 HG23 VAL A 124 -7.760 -4.921 6.719 1.00 0.31 H new ATOM 1917 N LEU A 125 -12.104 -4.927 6.931 1.00 0.35 N ATOM 1918 CA LEU A 125 -13.506 -5.310 6.977 1.00 0.38 C ATOM 1919 C LEU A 125 -14.346 -4.081 7.311 1.00 0.38 C ATOM 1920 O LEU A 125 -15.370 -3.810 6.680 1.00 0.38 O ATOM 1921 CB LEU A 125 -13.690 -6.415 8.022 1.00 0.45 C ATOM 1922 CG LEU A 125 -15.023 -7.163 7.982 1.00 0.51 C ATOM 1923 CD1 LEU A 125 -14.840 -8.577 8.504 1.00 0.61 C ATOM 1924 CD2 LEU A 125 -16.070 -6.434 8.807 1.00 0.54 C ATOM 0 H LEU A 125 -11.525 -5.365 7.647 1.00 0.35 H new ATOM 0 HA LEU A 125 -13.832 -5.696 6.011 1.00 0.38 H new ATOM 0 HB2 LEU A 125 -12.886 -7.140 7.900 1.00 0.45 H new ATOM 0 HB3 LEU A 125 -13.574 -5.974 9.012 1.00 0.45 H new ATOM 0 HG LEU A 125 -15.366 -7.206 6.948 1.00 0.51 H new ATOM 0 HD11 LEU A 125 -15.794 -9.103 8.472 1.00 0.61 H new ATOM 0 HD12 LEU A 125 -14.115 -9.103 7.883 1.00 0.61 H new ATOM 0 HD13 LEU A 125 -14.479 -8.542 9.532 1.00 0.61 H new ATOM 0 HD21 LEU A 125 -17.012 -6.982 8.766 1.00 0.54 H new ATOM 0 HD22 LEU A 125 -15.735 -6.365 9.842 1.00 0.54 H new ATOM 0 HD23 LEU A 125 -16.216 -5.431 8.406 1.00 0.54 H new ATOM 1936 N LYS A 126 -13.874 -3.341 8.303 1.00 0.40 N ATOM 1937 CA LYS A 126 -14.435 -2.050 8.676 1.00 0.42 C ATOM 1938 C LYS A 126 -14.455 -1.110 7.475 1.00 0.39 C ATOM 1939 O LYS A 126 -15.481 -0.518 7.154 1.00 0.43 O ATOM 1940 CB LYS A 126 -13.591 -1.463 9.812 1.00 0.48 C ATOM 1941 CG LYS A 126 -13.843 0.000 10.126 1.00 0.58 C ATOM 1942 CD LYS A 126 -12.948 0.450 11.269 1.00 0.72 C ATOM 1943 CE LYS A 126 -13.226 1.882 11.688 1.00 1.37 C ATOM 1944 NZ LYS A 126 -12.354 2.299 12.820 1.00 2.04 N ATOM 0 H LYS A 126 -13.081 -3.623 8.879 1.00 0.40 H new ATOM 0 HA LYS A 126 -15.464 -2.176 9.013 1.00 0.42 H new ATOM 0 HB2 LYS A 126 -13.772 -2.047 10.715 1.00 0.48 H new ATOM 0 HB3 LYS A 126 -12.538 -1.586 9.559 1.00 0.48 H new ATOM 0 HG2 LYS A 126 -13.651 0.608 9.242 1.00 0.58 H new ATOM 0 HG3 LYS A 126 -14.889 0.148 10.393 1.00 0.58 H new ATOM 0 HD2 LYS A 126 -13.093 -0.211 12.123 1.00 0.72 H new ATOM 0 HD3 LYS A 126 -11.904 0.358 10.968 1.00 0.72 H new ATOM 0 HE2 LYS A 126 -13.066 2.548 10.840 1.00 1.37 H new ATOM 0 HE3 LYS A 126 -14.272 1.981 11.978 1.00 1.37 H new ATOM 0 HZ1 LYS A 126 -12.570 3.282 13.081 1.00 2.04 H new ATOM 0 HZ2 LYS A 126 -12.525 1.678 13.637 1.00 2.04 H new ATOM 0 HZ3 LYS A 126 -11.357 2.228 12.534 1.00 2.04 H new ATOM 1958 N LYS A 127 -13.313 -1.001 6.809 1.00 0.33 N ATOM 1959 CA LYS A 127 -13.176 -0.166 5.621 1.00 0.31 C ATOM 1960 C LYS A 127 -14.098 -0.622 4.505 1.00 0.27 C ATOM 1961 O LYS A 127 -14.693 0.195 3.807 1.00 0.27 O ATOM 1962 CB LYS A 127 -11.740 -0.198 5.119 1.00 0.31 C ATOM 1963 CG LYS A 127 -10.942 1.026 5.513 1.00 0.52 C ATOM 1964 CD LYS A 127 -10.776 1.140 7.017 1.00 0.55 C ATOM 1965 CE LYS A 127 -10.127 2.460 7.386 1.00 0.82 C ATOM 1966 NZ LYS A 127 -9.628 2.466 8.787 1.00 1.48 N ATOM 0 H LYS A 127 -12.457 -1.487 7.076 1.00 0.33 H new ATOM 0 HA LYS A 127 -13.451 0.849 5.906 1.00 0.31 H new ATOM 0 HB2 LYS A 127 -11.245 -1.087 5.510 1.00 0.31 H new ATOM 0 HB3 LYS A 127 -11.744 -0.287 4.033 1.00 0.31 H new ATOM 0 HG2 LYS A 127 -9.960 0.985 5.043 1.00 0.52 H new ATOM 0 HG3 LYS A 127 -11.439 1.919 5.135 1.00 0.52 H new ATOM 0 HD2 LYS A 127 -11.749 1.059 7.502 1.00 0.55 H new ATOM 0 HD3 LYS A 127 -10.167 0.314 7.384 1.00 0.55 H new ATOM 0 HE2 LYS A 127 -9.299 2.659 6.706 1.00 0.82 H new ATOM 0 HE3 LYS A 127 -10.848 3.267 7.255 1.00 0.82 H new ATOM 0 HZ1 LYS A 127 -8.702 2.938 8.824 1.00 1.48 H new ATOM 0 HZ2 LYS A 127 -10.301 2.977 9.393 1.00 1.48 H new ATOM 0 HZ3 LYS A 127 -9.531 1.487 9.125 1.00 1.48 H new ATOM 1980 N CYS A 128 -14.197 -1.926 4.338 1.00 0.27 N ATOM 1981 CA CYS A 128 -14.997 -2.499 3.276 1.00 0.26 C ATOM 1982 C CYS A 128 -16.463 -2.138 3.461 1.00 0.29 C ATOM 1983 O CYS A 128 -17.107 -1.642 2.538 1.00 0.32 O ATOM 1984 CB CYS A 128 -14.814 -4.019 3.242 1.00 0.26 C ATOM 1985 SG CYS A 128 -15.819 -4.863 2.002 1.00 0.91 S ATOM 0 H CYS A 128 -13.729 -2.613 4.930 1.00 0.27 H new ATOM 0 HA CYS A 128 -14.663 -2.088 2.323 1.00 0.26 H new ATOM 0 HB2 CYS A 128 -13.764 -4.242 3.054 1.00 0.26 H new ATOM 0 HB3 CYS A 128 -15.055 -4.424 4.225 1.00 0.26 H new ATOM 0 HG CYS A 128 -16.449 -5.856 2.556 1.00 0.91 H new ATOM 1991 N GLN A 129 -16.977 -2.369 4.665 1.00 0.32 N ATOM 1992 CA GLN A 129 -18.351 -2.013 4.980 1.00 0.36 C ATOM 1993 C GLN A 129 -18.528 -0.502 4.942 1.00 0.32 C ATOM 1994 O GLN A 129 -19.573 0.002 4.529 1.00 0.35 O ATOM 1995 CB GLN A 129 -18.760 -2.550 6.347 1.00 0.44 C ATOM 1996 CG GLN A 129 -18.844 -4.065 6.398 1.00 0.50 C ATOM 1997 CD GLN A 129 -19.331 -4.582 7.740 1.00 0.60 C ATOM 1998 OE1 GLN A 129 -18.977 -5.681 8.163 1.00 1.38 O ATOM 1999 NE2 GLN A 129 -20.147 -3.793 8.424 1.00 1.10 N ATOM 0 H GLN A 129 -16.463 -2.799 5.434 1.00 0.32 H new ATOM 0 HA GLN A 129 -18.995 -2.468 4.227 1.00 0.36 H new ATOM 0 HB2 GLN A 129 -18.043 -2.208 7.093 1.00 0.44 H new ATOM 0 HB3 GLN A 129 -19.728 -2.130 6.619 1.00 0.44 H new ATOM 0 HG2 GLN A 129 -19.516 -4.414 5.614 1.00 0.50 H new ATOM 0 HG3 GLN A 129 -17.861 -4.486 6.186 1.00 0.50 H new ATOM 0 HE21 GLN A 129 -20.420 -2.887 8.042 1.00 1.10 H new ATOM 0 HE22 GLN A 129 -20.502 -4.091 9.332 1.00 1.10 H new ATOM 2008 N GLN A 130 -17.490 0.211 5.366 1.00 0.31 N ATOM 2009 CA GLN A 130 -17.496 1.663 5.353 1.00 0.30 C ATOM 2010 C GLN A 130 -17.695 2.181 3.934 1.00 0.26 C ATOM 2011 O GLN A 130 -18.550 3.020 3.683 1.00 0.27 O ATOM 2012 CB GLN A 130 -16.178 2.214 5.908 1.00 0.34 C ATOM 2013 CG GLN A 130 -16.252 3.676 6.310 1.00 0.41 C ATOM 2014 CD GLN A 130 -16.843 3.893 7.694 1.00 0.94 C ATOM 2015 OE1 GLN A 130 -16.520 4.872 8.360 1.00 1.72 O ATOM 2016 NE2 GLN A 130 -17.686 2.979 8.152 1.00 1.65 N ATOM 0 H GLN A 130 -16.629 -0.201 5.725 1.00 0.31 H new ATOM 0 HA GLN A 130 -18.320 2.000 5.982 1.00 0.30 H new ATOM 0 HB2 GLN A 130 -15.883 1.622 6.774 1.00 0.34 H new ATOM 0 HB3 GLN A 130 -15.398 2.091 5.157 1.00 0.34 H new ATOM 0 HG2 GLN A 130 -15.250 4.105 6.280 1.00 0.41 H new ATOM 0 HG3 GLN A 130 -16.852 4.216 5.578 1.00 0.41 H new ATOM 0 HE21 GLN A 130 -17.933 2.177 7.572 1.00 1.65 H new ATOM 0 HE22 GLN A 130 -18.088 3.077 9.084 1.00 1.65 H new ATOM 2025 N ALA A 131 -16.913 1.655 3.008 1.00 0.23 N ATOM 2026 CA ALA A 131 -16.929 2.139 1.639 1.00 0.21 C ATOM 2027 C ALA A 131 -18.261 1.873 0.948 1.00 0.23 C ATOM 2028 O ALA A 131 -18.750 2.728 0.213 1.00 0.29 O ATOM 2029 CB ALA A 131 -15.787 1.532 0.853 1.00 0.20 C ATOM 0 H ALA A 131 -16.258 0.892 3.179 1.00 0.23 H new ATOM 0 HA ALA A 131 -16.800 3.221 1.675 1.00 0.21 H new ATOM 0 HB1 ALA A 131 -15.812 1.904 -0.171 1.00 0.20 H new ATOM 0 HB2 ALA A 131 -14.840 1.808 1.316 1.00 0.20 H new ATOM 0 HB3 ALA A 131 -15.886 0.447 0.847 1.00 0.20 H new ATOM 2035 N GLU A 132 -18.853 0.705 1.178 1.00 0.26 N ATOM 2036 CA GLU A 132 -20.126 0.385 0.540 1.00 0.35 C ATOM 2037 C GLU A 132 -21.253 1.250 1.095 1.00 0.35 C ATOM 2038 O GLU A 132 -22.070 1.763 0.334 1.00 0.43 O ATOM 2039 CB GLU A 132 -20.473 -1.107 0.652 1.00 0.48 C ATOM 2040 CG GLU A 132 -20.227 -1.710 2.017 1.00 1.02 C ATOM 2041 CD GLU A 132 -20.887 -3.061 2.183 1.00 1.24 C ATOM 2042 OE1 GLU A 132 -20.272 -4.079 1.801 1.00 2.04 O ATOM 2043 OE2 GLU A 132 -22.021 -3.117 2.702 1.00 1.41 O ATOM 0 H GLU A 132 -18.481 -0.023 1.789 1.00 0.26 H new ATOM 0 HA GLU A 132 -20.014 0.610 -0.521 1.00 0.35 H new ATOM 0 HB2 GLU A 132 -21.523 -1.243 0.393 1.00 0.48 H new ATOM 0 HB3 GLU A 132 -19.889 -1.659 -0.085 1.00 0.48 H new ATOM 0 HG2 GLU A 132 -19.154 -1.812 2.177 1.00 1.02 H new ATOM 0 HG3 GLU A 132 -20.601 -1.031 2.783 1.00 1.02 H new ATOM 2050 N LYS A 133 -21.289 1.442 2.411 1.00 0.32 N ATOM 2051 CA LYS A 133 -22.311 2.296 3.008 1.00 0.36 C ATOM 2052 C LYS A 133 -22.113 3.739 2.563 1.00 0.37 C ATOM 2053 O LYS A 133 -23.078 4.475 2.365 1.00 0.46 O ATOM 2054 CB LYS A 133 -22.311 2.198 4.539 1.00 0.37 C ATOM 2055 CG LYS A 133 -21.012 2.628 5.199 1.00 0.36 C ATOM 2056 CD LYS A 133 -21.004 2.366 6.700 1.00 0.66 C ATOM 2057 CE LYS A 133 -21.719 3.455 7.493 1.00 1.04 C ATOM 2058 NZ LYS A 133 -23.186 3.483 7.248 1.00 1.90 N ATOM 0 H LYS A 133 -20.635 1.026 3.074 1.00 0.32 H new ATOM 0 HA LYS A 133 -23.283 1.946 2.661 1.00 0.36 H new ATOM 0 HB2 LYS A 133 -23.123 2.812 4.929 1.00 0.37 H new ATOM 0 HB3 LYS A 133 -22.525 1.168 4.824 1.00 0.37 H new ATOM 0 HG2 LYS A 133 -20.180 2.097 4.737 1.00 0.36 H new ATOM 0 HG3 LYS A 133 -20.851 3.691 5.018 1.00 0.36 H new ATOM 0 HD2 LYS A 133 -21.480 1.406 6.899 1.00 0.66 H new ATOM 0 HD3 LYS A 133 -19.973 2.289 7.045 1.00 0.66 H new ATOM 0 HE2 LYS A 133 -21.537 3.302 8.557 1.00 1.04 H new ATOM 0 HE3 LYS A 133 -21.294 4.425 7.233 1.00 1.04 H new ATOM 0 HZ1 LYS A 133 -23.676 3.795 8.111 1.00 1.90 H new ATOM 0 HZ2 LYS A 133 -23.396 4.144 6.473 1.00 1.90 H new ATOM 0 HZ3 LYS A 133 -23.513 2.530 6.989 1.00 1.90 H new ATOM 2072 N ILE A 134 -20.856 4.131 2.397 1.00 0.32 N ATOM 2073 CA ILE A 134 -20.526 5.456 1.892 1.00 0.34 C ATOM 2074 C ILE A 134 -21.000 5.618 0.453 1.00 0.39 C ATOM 2075 O ILE A 134 -21.710 6.565 0.122 1.00 0.48 O ATOM 2076 CB ILE A 134 -19.004 5.719 1.952 1.00 0.31 C ATOM 2077 CG1 ILE A 134 -18.547 5.946 3.386 1.00 0.32 C ATOM 2078 CG2 ILE A 134 -18.630 6.910 1.104 1.00 0.34 C ATOM 2079 CD1 ILE A 134 -17.055 6.164 3.525 1.00 0.33 C ATOM 0 H ILE A 134 -20.046 3.547 2.606 1.00 0.32 H new ATOM 0 HA ILE A 134 -21.036 6.179 2.529 1.00 0.34 H new ATOM 0 HB ILE A 134 -18.502 4.835 1.559 1.00 0.31 H new ATOM 0 HG12 ILE A 134 -19.071 6.812 3.791 1.00 0.32 H new ATOM 0 HG13 ILE A 134 -18.837 5.086 3.990 1.00 0.32 H new ATOM 0 HG21 ILE A 134 -17.554 7.075 1.163 1.00 0.34 H new ATOM 0 HG22 ILE A 134 -18.912 6.722 0.068 1.00 0.34 H new ATOM 0 HG23 ILE A 134 -19.153 7.794 1.468 1.00 0.34 H new ATOM 0 HD11 ILE A 134 -16.806 6.319 4.575 1.00 0.33 H new ATOM 0 HD12 ILE A 134 -16.523 5.289 3.151 1.00 0.33 H new ATOM 0 HD13 ILE A 134 -16.760 7.041 2.949 1.00 0.33 H new ATOM 2091 N LEU A 135 -20.607 4.675 -0.390 1.00 0.38 N ATOM 2092 CA LEU A 135 -20.937 4.710 -1.807 1.00 0.48 C ATOM 2093 C LEU A 135 -22.452 4.702 -2.011 1.00 0.58 C ATOM 2094 O LEU A 135 -22.968 5.381 -2.898 1.00 0.71 O ATOM 2095 CB LEU A 135 -20.297 3.501 -2.503 1.00 0.51 C ATOM 2096 CG LEU A 135 -20.446 3.447 -4.022 1.00 0.59 C ATOM 2097 CD1 LEU A 135 -19.519 4.441 -4.703 1.00 1.33 C ATOM 2098 CD2 LEU A 135 -20.185 2.037 -4.528 1.00 1.37 C ATOM 0 H LEU A 135 -20.052 3.866 -0.112 1.00 0.38 H new ATOM 0 HA LEU A 135 -20.546 5.630 -2.242 1.00 0.48 H new ATOM 0 HB2 LEU A 135 -19.234 3.488 -2.261 1.00 0.51 H new ATOM 0 HB3 LEU A 135 -20.730 2.593 -2.083 1.00 0.51 H new ATOM 0 HG LEU A 135 -21.470 3.724 -4.271 1.00 0.59 H new ATOM 0 HD11 LEU A 135 -19.649 4.378 -5.783 1.00 1.33 H new ATOM 0 HD12 LEU A 135 -19.757 5.450 -4.367 1.00 1.33 H new ATOM 0 HD13 LEU A 135 -18.485 4.208 -4.448 1.00 1.33 H new ATOM 0 HD21 LEU A 135 -20.295 2.013 -5.612 1.00 1.37 H new ATOM 0 HD22 LEU A 135 -19.173 1.735 -4.259 1.00 1.37 H new ATOM 0 HD23 LEU A 135 -20.900 1.350 -4.076 1.00 1.37 H new ATOM 2110 N LYS A 136 -23.162 3.953 -1.172 1.00 0.58 N ATOM 2111 CA LYS A 136 -24.617 3.878 -1.257 1.00 0.72 C ATOM 2112 C LYS A 136 -25.275 5.156 -0.747 1.00 0.77 C ATOM 2113 O LYS A 136 -26.456 5.393 -0.992 1.00 0.91 O ATOM 2114 CB LYS A 136 -25.145 2.663 -0.497 1.00 0.79 C ATOM 2115 CG LYS A 136 -24.744 1.337 -1.128 1.00 1.26 C ATOM 2116 CD LYS A 136 -25.306 1.201 -2.535 1.00 1.73 C ATOM 2117 CE LYS A 136 -24.740 -0.009 -3.259 1.00 2.54 C ATOM 2118 NZ LYS A 136 -25.215 -0.074 -4.669 1.00 3.36 N ATOM 0 H LYS A 136 -22.754 3.390 -0.426 1.00 0.58 H new ATOM 0 HA LYS A 136 -24.877 3.767 -2.310 1.00 0.72 H new ATOM 0 HB2 LYS A 136 -24.776 2.696 0.528 1.00 0.79 H new ATOM 0 HB3 LYS A 136 -26.232 2.719 -0.446 1.00 0.79 H new ATOM 0 HG2 LYS A 136 -23.657 1.261 -1.160 1.00 1.26 H new ATOM 0 HG3 LYS A 136 -25.103 0.514 -0.510 1.00 1.26 H new ATOM 0 HD2 LYS A 136 -26.392 1.119 -2.485 1.00 1.73 H new ATOM 0 HD3 LYS A 136 -25.080 2.103 -3.104 1.00 1.73 H new ATOM 0 HE2 LYS A 136 -23.651 0.033 -3.243 1.00 2.54 H new ATOM 0 HE3 LYS A 136 -25.032 -0.918 -2.733 1.00 2.54 H new ATOM 0 HZ1 LYS A 136 -25.794 -0.928 -4.801 1.00 3.36 H new ATOM 0 HZ2 LYS A 136 -25.786 0.768 -4.882 1.00 3.36 H new ATOM 0 HZ3 LYS A 136 -24.397 -0.108 -5.310 1.00 3.36 H new ATOM 2132 N GLU A 137 -24.512 5.978 -0.039 1.00 0.70 N ATOM 2133 CA GLU A 137 -24.981 7.305 0.338 1.00 0.82 C ATOM 2134 C GLU A 137 -24.828 8.260 -0.834 1.00 0.87 C ATOM 2135 O GLU A 137 -25.522 9.271 -0.928 1.00 1.03 O ATOM 2136 CB GLU A 137 -24.212 7.846 1.530 1.00 0.82 C ATOM 2137 CG GLU A 137 -24.581 7.175 2.831 1.00 1.02 C ATOM 2138 CD GLU A 137 -26.062 7.259 3.137 1.00 1.61 C ATOM 2139 OE1 GLU A 137 -26.608 8.382 3.164 1.00 2.01 O ATOM 2140 OE2 GLU A 137 -26.685 6.200 3.352 1.00 2.28 O ATOM 0 H GLU A 137 -23.571 5.752 0.284 1.00 0.70 H new ATOM 0 HA GLU A 137 -26.032 7.221 0.615 1.00 0.82 H new ATOM 0 HB2 GLU A 137 -23.144 7.719 1.353 1.00 0.82 H new ATOM 0 HB3 GLU A 137 -24.395 8.917 1.616 1.00 0.82 H new ATOM 0 HG2 GLU A 137 -24.282 6.128 2.792 1.00 1.02 H new ATOM 0 HG3 GLU A 137 -24.020 7.636 3.644 1.00 1.02 H new ATOM 2147 N GLN A 138 -23.908 7.924 -1.730 1.00 0.80 N ATOM 2148 CA GLN A 138 -23.585 8.782 -2.856 1.00 0.89 C ATOM 2149 C GLN A 138 -24.591 8.605 -3.984 1.00 1.04 C ATOM 2150 O GLN A 138 -25.138 9.577 -4.503 1.00 1.19 O ATOM 2151 CB GLN A 138 -22.185 8.487 -3.366 1.00 0.87 C ATOM 2152 CG GLN A 138 -21.143 8.591 -2.280 1.00 0.80 C ATOM 2153 CD GLN A 138 -19.736 8.354 -2.782 1.00 1.08 C ATOM 2154 OE1 GLN A 138 -18.776 8.893 -2.237 1.00 1.75 O ATOM 2155 NE2 GLN A 138 -19.605 7.564 -3.835 1.00 1.60 N ATOM 0 H GLN A 138 -23.371 7.057 -1.695 1.00 0.80 H new ATOM 0 HA GLN A 138 -23.629 9.815 -2.510 1.00 0.89 H new ATOM 0 HB2 GLN A 138 -22.161 7.485 -3.794 1.00 0.87 H new ATOM 0 HB3 GLN A 138 -21.940 9.182 -4.169 1.00 0.87 H new ATOM 0 HG2 GLN A 138 -21.198 9.580 -1.825 1.00 0.80 H new ATOM 0 HG3 GLN A 138 -21.370 7.867 -1.497 1.00 0.80 H new ATOM 0 HE21 GLN A 138 -20.429 7.136 -4.257 1.00 1.60 H new ATOM 0 HE22 GLN A 138 -18.680 7.383 -4.225 1.00 1.60 H new ATOM 2164 N GLU A 139 -24.825 7.355 -4.357 1.00 1.14 N ATOM 2165 CA GLU A 139 -25.731 7.034 -5.451 1.00 1.35 C ATOM 2166 C GLU A 139 -27.191 7.195 -5.026 1.00 1.86 C ATOM 2167 O GLU A 139 -27.755 8.286 -5.246 1.00 2.30 O ATOM 2168 CB GLU A 139 -25.465 5.611 -5.959 1.00 1.47 C ATOM 2169 CG GLU A 139 -25.289 4.585 -4.849 1.00 1.46 C ATOM 2170 CD GLU A 139 -25.158 3.172 -5.369 1.00 2.03 C ATOM 2171 OE1 GLU A 139 -26.195 2.504 -5.553 1.00 2.99 O ATOM 2172 OE2 GLU A 139 -24.020 2.712 -5.580 1.00 1.94 O ATOM 2173 OXT GLU A 139 -27.772 6.238 -4.475 1.00 2.51 O ATOM 0 H GLU A 139 -24.397 6.542 -3.915 1.00 1.14 H new ATOM 0 HA GLU A 139 -25.545 7.735 -6.264 1.00 1.35 H new ATOM 0 HB2 GLU A 139 -26.293 5.303 -6.598 1.00 1.47 H new ATOM 0 HB3 GLU A 139 -24.569 5.618 -6.580 1.00 1.47 H new ATOM 0 HG2 GLU A 139 -24.403 4.836 -4.267 1.00 1.46 H new ATOM 0 HG3 GLU A 139 -26.141 4.640 -4.172 1.00 1.46 H new TER 2180 GLU A 139