USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 817 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 53 TYR OH : rot 180:sc= 0.216 USER MOD Set 1.2: A 70 LYS NZ :NH3+ 135:sc= 1.57 (180deg=0.609) USER MOD Set 2.1: A 69 SER OG : rot 101:sc= 0.25 USER MOD Set 2.2: A 71 ASN : amide:sc= -3.11! C(o=-2.9!,f=-6.3!) USER MOD Set 3.1: A 47 TYR OH : rot -46:sc= 1.49 USER MOD Set 3.2: A 101 TYR OH : rot -123:sc= 0.55 USER MOD Set 4.1: A 26 SER OG : rot -49:sc= 1.74 USER MOD Set 4.2: A 44 LYS NZ :NH3+ -130:sc= 1.25 (180deg=0) USER MOD Set 5.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 16 GLN : amide:sc= -3.44! C(o=-3.4!,f=-1.9!) USER MOD Set 6.1: A 3 HIS : no HD1:sc= -0.497 K(o=0.072,f=-2!) USER MOD Set 6.2: A 41 THR OG1 : rot -93:sc= 0.569 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HE2:sc= 0.6 K(o=0.6,f=-4.1!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 18 SER OG : rot -42:sc= 1.28 USER MOD Single : A 19 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.8) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.165! C(o=0.16!,f=-2.6!) USER MOD Single : A 23 THR OG1 : rot -27:sc= 0.318 USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= 1.25 (180deg=0.506) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 71:sc= 0.553 USER MOD Single : A 54 SER OG : rot -32:sc= 0.137 USER MOD Single : A 55 MET CE :methyl -139:sc=-0.00303 (180deg=-1.5!) USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= -0.126 (180deg=-0.15) USER MOD Single : A 62 SER OG : rot 79:sc= 2.08 USER MOD Single : A 67 LYS NZ :NH3+ -171:sc= 1.19 (180deg=1.12) USER MOD Single : A 68 MET CE :methyl 162:sc= -0.109 (180deg=-0.536) USER MOD Single : A 76 SER OG : rot 180:sc= -0.414 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -76:sc= 0.986 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 1.12 K(o=1.1,f=-0.16) USER MOD Single : A 89 THR OG1 : rot 65:sc= 1.27 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0293 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 47:sc= 0.484 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.478 6.010 -8.927 1.00 0.00 N ATOM 2 CA MET A 1 -17.428 6.372 -7.881 1.00 0.00 C ATOM 3 C MET A 1 -16.888 5.899 -6.531 1.00 0.00 C ATOM 4 O MET A 1 -16.763 4.697 -6.282 1.00 0.00 O ATOM 5 CB MET A 1 -18.808 5.744 -8.203 1.00 0.00 C ATOM 6 CG MET A 1 -19.994 6.194 -7.327 1.00 0.00 C ATOM 7 SD MET A 1 -19.900 5.700 -5.592 1.00 0.00 S ATOM 8 CE MET A 1 -21.448 6.369 -4.988 1.00 0.00 C ATOM 0 H1 MET A 1 -16.839 6.329 -9.849 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.562 6.465 -8.737 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.355 4.977 -8.942 1.00 0.00 H new ATOM 0 HA MET A 1 -17.556 7.453 -7.834 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.049 5.966 -9.243 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.716 4.661 -8.122 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.069 7.280 -7.375 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.913 5.792 -7.753 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.549 6.150 -3.925 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.462 7.448 -5.140 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.277 5.916 -5.532 1.00 0.00 H new ATOM 20 N GLY A 2 -16.533 6.843 -5.685 1.00 0.00 N ATOM 21 CA GLY A 2 -16.017 6.537 -4.370 1.00 0.00 C ATOM 22 C GLY A 2 -15.971 7.782 -3.538 1.00 0.00 C ATOM 23 O GLY A 2 -16.512 8.808 -3.962 1.00 0.00 O ATOM 0 H GLY A 2 -16.594 7.840 -5.890 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -16.647 5.790 -3.887 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -15.019 6.107 -4.452 1.00 0.00 H new ATOM 27 N HIS A 3 -15.340 7.710 -2.355 1.00 0.00 N ATOM 28 CA HIS A 3 -15.199 8.886 -1.453 1.00 0.00 C ATOM 29 C HIS A 3 -16.574 9.413 -1.026 1.00 0.00 C ATOM 30 O HIS A 3 -17.556 8.652 -1.008 1.00 0.00 O ATOM 31 CB HIS A 3 -14.392 10.020 -2.139 1.00 0.00 C ATOM 32 CG HIS A 3 -12.946 9.725 -2.384 1.00 0.00 C ATOM 33 ND1 HIS A 3 -12.043 10.695 -2.721 1.00 0.00 N ATOM 34 CD2 HIS A 3 -12.248 8.568 -2.349 1.00 0.00 C ATOM 35 CE1 HIS A 3 -10.864 10.157 -2.882 1.00 0.00 C ATOM 36 NE2 HIS A 3 -10.953 8.869 -2.661 1.00 0.00 N ATOM 0 H HIS A 3 -14.917 6.855 -1.993 1.00 0.00 H new ATOM 0 HA HIS A 3 -14.656 8.558 -0.567 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -14.864 10.252 -3.094 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -14.463 10.916 -1.523 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -12.641 7.589 -2.118 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.963 10.687 -3.153 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -10.183 8.202 -2.713 1.00 0.00 H new ATOM 45 N HIS A 4 -16.622 10.695 -0.637 1.00 0.00 N ATOM 46 CA HIS A 4 -17.847 11.399 -0.252 1.00 0.00 C ATOM 47 C HIS A 4 -18.318 11.021 1.155 1.00 0.00 C ATOM 48 O HIS A 4 -18.294 11.857 2.060 1.00 0.00 O ATOM 49 CB HIS A 4 -18.966 11.240 -1.314 1.00 0.00 C ATOM 50 CG HIS A 4 -20.235 11.968 -0.993 1.00 0.00 C ATOM 51 ND1 HIS A 4 -21.351 11.343 -0.497 1.00 0.00 N ATOM 52 CD2 HIS A 4 -20.564 13.274 -1.114 1.00 0.00 C ATOM 53 CE1 HIS A 4 -22.305 12.225 -0.324 1.00 0.00 C ATOM 54 NE2 HIS A 4 -21.856 13.401 -0.689 1.00 0.00 N ATOM 0 H HIS A 4 -15.790 11.282 -0.581 1.00 0.00 H new ATOM 0 HA HIS A 4 -17.601 12.460 -0.215 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -18.591 11.595 -2.274 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -19.190 10.180 -1.431 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -19.926 14.066 -1.478 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -23.295 12.018 0.055 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -22.386 14.272 -0.660 1.00 0.00 H new ATOM 63 N HIS A 5 -18.740 9.786 1.342 1.00 0.00 N ATOM 64 CA HIS A 5 -19.206 9.342 2.643 1.00 0.00 C ATOM 65 C HIS A 5 -18.757 7.922 2.933 1.00 0.00 C ATOM 66 O HIS A 5 -19.275 6.965 2.359 1.00 0.00 O ATOM 67 CB HIS A 5 -20.746 9.441 2.767 1.00 0.00 C ATOM 68 CG HIS A 5 -21.283 9.030 4.125 1.00 0.00 C ATOM 69 ND1 HIS A 5 -21.779 7.770 4.398 1.00 0.00 N ATOM 70 CD2 HIS A 5 -21.398 9.726 5.281 1.00 0.00 C ATOM 71 CE1 HIS A 5 -22.169 7.717 5.657 1.00 0.00 C ATOM 72 NE2 HIS A 5 -21.949 8.886 6.212 1.00 0.00 N ATOM 0 H HIS A 5 -18.770 9.073 0.613 1.00 0.00 H new ATOM 0 HA HIS A 5 -18.760 10.010 3.380 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -21.052 10.467 2.562 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -21.203 8.814 2.002 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -21.108 10.754 5.440 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -22.597 6.856 6.149 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -22.155 9.130 7.181 1.00 0.00 H new ATOM 81 N HIS A 6 -17.782 7.803 3.778 1.00 0.00 N ATOM 82 CA HIS A 6 -17.317 6.532 4.295 1.00 0.00 C ATOM 83 C HIS A 6 -17.029 6.694 5.761 1.00 0.00 C ATOM 84 O HIS A 6 -15.947 7.139 6.148 1.00 0.00 O ATOM 85 CB HIS A 6 -16.089 5.963 3.534 1.00 0.00 C ATOM 86 CG HIS A 6 -16.401 5.448 2.154 1.00 0.00 C ATOM 87 ND1 HIS A 6 -16.557 4.110 1.869 1.00 0.00 N ATOM 88 CD2 HIS A 6 -16.594 6.093 0.978 1.00 0.00 C ATOM 89 CE1 HIS A 6 -16.835 3.958 0.596 1.00 0.00 C ATOM 90 NE2 HIS A 6 -16.864 5.141 0.030 1.00 0.00 N ATOM 0 H HIS A 6 -17.266 8.603 4.144 1.00 0.00 H new ATOM 0 HA HIS A 6 -18.105 5.795 4.142 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -15.331 6.743 3.456 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -15.655 5.154 4.122 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -16.470 3.352 2.545 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -16.544 7.160 0.818 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -17.011 3.016 0.097 1.00 0.00 H new ATOM 99 N HIS A 7 -18.032 6.403 6.577 1.00 0.00 N ATOM 100 CA HIS A 7 -17.925 6.596 8.015 1.00 0.00 C ATOM 101 C HIS A 7 -16.984 5.569 8.622 1.00 0.00 C ATOM 102 O HIS A 7 -16.123 5.913 9.420 1.00 0.00 O ATOM 103 CB HIS A 7 -19.307 6.561 8.692 1.00 0.00 C ATOM 104 CG HIS A 7 -19.275 6.935 10.153 1.00 0.00 C ATOM 105 ND1 HIS A 7 -19.709 6.107 11.165 1.00 0.00 N ATOM 106 CD2 HIS A 7 -18.881 8.079 10.758 1.00 0.00 C ATOM 107 CE1 HIS A 7 -19.579 6.724 12.318 1.00 0.00 C ATOM 108 NE2 HIS A 7 -19.081 7.916 12.098 1.00 0.00 N ATOM 0 H HIS A 7 -18.930 6.032 6.267 1.00 0.00 H new ATOM 0 HA HIS A 7 -17.506 7.586 8.193 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -19.977 7.241 8.166 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -19.726 5.560 8.591 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -18.483 8.957 10.271 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -19.839 6.317 13.284 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -18.875 8.612 12.815 1.00 0.00 H new ATOM 117 N HIS A 8 -17.155 4.319 8.253 1.00 0.00 N ATOM 118 CA HIS A 8 -16.233 3.290 8.692 1.00 0.00 C ATOM 119 C HIS A 8 -15.113 3.200 7.691 1.00 0.00 C ATOM 120 O HIS A 8 -15.267 3.649 6.545 1.00 0.00 O ATOM 121 CB HIS A 8 -16.893 1.909 8.830 1.00 0.00 C ATOM 122 CG HIS A 8 -17.917 1.775 9.913 1.00 0.00 C ATOM 123 ND1 HIS A 8 -19.141 1.181 9.716 1.00 0.00 N ATOM 124 CD2 HIS A 8 -17.864 2.082 11.229 1.00 0.00 C ATOM 125 CE1 HIS A 8 -19.792 1.130 10.850 1.00 0.00 C ATOM 126 NE2 HIS A 8 -19.042 1.669 11.792 1.00 0.00 N ATOM 0 H HIS A 8 -17.915 3.991 7.657 1.00 0.00 H new ATOM 0 HA HIS A 8 -15.871 3.570 9.681 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -17.363 1.657 7.880 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -16.111 1.170 9.004 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -17.044 2.564 11.741 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -20.779 0.716 10.991 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -19.297 1.762 12.775 1.00 0.00 H new ATOM 135 N LEU A 9 -14.004 2.633 8.085 1.00 0.00 N ATOM 136 CA LEU A 9 -12.896 2.505 7.169 1.00 0.00 C ATOM 137 C LEU A 9 -13.152 1.309 6.240 1.00 0.00 C ATOM 138 O LEU A 9 -13.934 0.398 6.575 1.00 0.00 O ATOM 139 CB LEU A 9 -11.530 2.379 7.904 1.00 0.00 C ATOM 140 CG LEU A 9 -11.127 1.008 8.490 1.00 0.00 C ATOM 141 CD1 LEU A 9 -9.786 1.103 9.194 1.00 0.00 C ATOM 142 CD2 LEU A 9 -12.173 0.464 9.420 1.00 0.00 C ATOM 0 H LEU A 9 -13.842 2.257 9.019 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.829 3.417 6.575 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.750 2.682 7.206 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.526 3.101 8.720 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.040 0.311 7.656 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.519 0.128 9.600 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.024 1.421 8.483 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.851 1.828 10.005 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.848 -0.501 9.809 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.320 1.158 10.248 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.111 0.340 8.880 1.00 0.00 H new ATOM 154 N GLU A 10 -12.522 1.308 5.115 1.00 0.00 N ATOM 155 CA GLU A 10 -12.757 0.294 4.104 1.00 0.00 C ATOM 156 C GLU A 10 -11.825 -0.895 4.233 1.00 0.00 C ATOM 157 O GLU A 10 -10.610 -0.744 4.186 1.00 0.00 O ATOM 158 CB GLU A 10 -12.560 0.909 2.743 1.00 0.00 C ATOM 159 CG GLU A 10 -13.535 1.999 2.402 1.00 0.00 C ATOM 160 CD GLU A 10 -14.943 1.493 2.190 1.00 0.00 C ATOM 161 OE1 GLU A 10 -15.207 0.877 1.136 1.00 0.00 O ATOM 162 OE2 GLU A 10 -15.815 1.725 3.055 1.00 0.00 O ATOM 0 H GLU A 10 -11.825 2.005 4.855 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.776 -0.069 4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.549 1.312 2.684 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.635 0.124 1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.538 2.738 3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.199 2.509 1.499 1.00 0.00 H new ATOM 169 N GLU A 11 -12.387 -2.059 4.400 1.00 0.00 N ATOM 170 CA GLU A 11 -11.639 -3.257 4.337 1.00 0.00 C ATOM 171 C GLU A 11 -11.550 -3.696 2.915 1.00 0.00 C ATOM 172 O GLU A 11 -12.563 -3.851 2.219 1.00 0.00 O ATOM 173 CB GLU A 11 -12.252 -4.381 5.160 1.00 0.00 C ATOM 174 CG GLU A 11 -11.671 -5.748 4.826 1.00 0.00 C ATOM 175 CD GLU A 11 -12.247 -6.845 5.661 1.00 0.00 C ATOM 176 OE1 GLU A 11 -11.839 -7.002 6.833 1.00 0.00 O ATOM 177 OE2 GLU A 11 -13.135 -7.571 5.159 1.00 0.00 O ATOM 0 H GLU A 11 -13.382 -2.191 4.584 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.654 -3.047 4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.096 -4.175 6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.329 -4.400 4.994 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.852 -5.966 3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.590 -5.722 4.965 1.00 0.00 H new ATOM 184 N PHE A 12 -10.386 -3.863 2.494 1.00 0.00 N ATOM 185 CA PHE A 12 -10.103 -4.373 1.239 1.00 0.00 C ATOM 186 C PHE A 12 -9.299 -5.592 1.390 1.00 0.00 C ATOM 187 O PHE A 12 -8.599 -5.739 2.355 1.00 0.00 O ATOM 188 CB PHE A 12 -9.311 -3.405 0.427 1.00 0.00 C ATOM 189 CG PHE A 12 -10.074 -2.247 -0.144 1.00 0.00 C ATOM 190 CD1 PHE A 12 -10.753 -2.385 -1.342 1.00 0.00 C ATOM 191 CD2 PHE A 12 -10.106 -1.019 0.501 1.00 0.00 C ATOM 192 CE1 PHE A 12 -11.449 -1.327 -1.885 1.00 0.00 C ATOM 193 CE2 PHE A 12 -10.799 0.042 -0.043 1.00 0.00 C ATOM 194 CZ PHE A 12 -11.470 -0.112 -1.235 1.00 0.00 C ATOM 0 H PHE A 12 -9.556 -3.637 3.042 1.00 0.00 H new ATOM 0 HA PHE A 12 -11.049 -4.576 0.736 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.506 -3.013 1.049 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.844 -3.947 -0.395 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.737 -3.334 -1.858 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.583 -0.893 1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.977 -1.450 -2.819 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.815 0.994 0.466 1.00 0.00 H new ATOM 0 HZ PHE A 12 -12.013 0.719 -1.661 1.00 0.00 H new ATOM 204 N THR A 13 -9.406 -6.463 0.471 1.00 0.00 N ATOM 205 CA THR A 13 -8.555 -7.590 0.454 1.00 0.00 C ATOM 206 C THR A 13 -7.505 -7.295 -0.615 1.00 0.00 C ATOM 207 O THR A 13 -7.757 -6.466 -1.466 1.00 0.00 O ATOM 208 CB THR A 13 -9.349 -8.843 0.142 1.00 0.00 C ATOM 209 OG1 THR A 13 -10.529 -8.854 0.971 1.00 0.00 O ATOM 210 CG2 THR A 13 -8.532 -10.073 0.456 1.00 0.00 C ATOM 0 H THR A 13 -10.082 -6.421 -0.292 1.00 0.00 H new ATOM 0 HA THR A 13 -8.081 -7.768 1.419 1.00 0.00 H new ATOM 0 HB THR A 13 -9.613 -8.847 -0.916 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.055 -9.658 0.780 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.115 -10.965 0.227 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.623 -10.069 -0.145 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.267 -10.074 1.513 1.00 0.00 H new ATOM 218 N ALA A 14 -6.370 -7.951 -0.579 1.00 0.00 N ATOM 219 CA ALA A 14 -5.231 -7.576 -1.458 1.00 0.00 C ATOM 220 C ALA A 14 -5.572 -7.549 -2.954 1.00 0.00 C ATOM 221 O ALA A 14 -5.287 -6.568 -3.627 1.00 0.00 O ATOM 222 CB ALA A 14 -4.015 -8.441 -1.195 1.00 0.00 C ATOM 0 H ALA A 14 -6.187 -8.744 0.036 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.994 -6.547 -1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.203 -8.138 -1.856 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.702 -8.323 -0.158 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.264 -9.486 -1.382 1.00 0.00 H new ATOM 228 N GLU A 15 -6.233 -8.579 -3.446 1.00 0.00 N ATOM 229 CA GLU A 15 -6.596 -8.651 -4.875 1.00 0.00 C ATOM 230 C GLU A 15 -7.669 -7.624 -5.199 1.00 0.00 C ATOM 231 O GLU A 15 -7.742 -7.091 -6.302 1.00 0.00 O ATOM 232 CB GLU A 15 -7.112 -10.026 -5.190 1.00 0.00 C ATOM 233 CG GLU A 15 -6.146 -11.128 -4.846 1.00 0.00 C ATOM 234 CD GLU A 15 -6.748 -12.472 -5.045 1.00 0.00 C ATOM 235 OE1 GLU A 15 -7.413 -12.975 -4.117 1.00 0.00 O ATOM 236 OE2 GLU A 15 -6.586 -13.063 -6.135 1.00 0.00 O ATOM 0 H GLU A 15 -6.535 -9.381 -2.892 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.711 -8.441 -5.476 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.043 -10.188 -4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.349 -10.081 -6.253 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.253 -11.035 -5.464 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.828 -11.022 -3.809 1.00 0.00 H new ATOM 243 N GLN A 16 -8.484 -7.357 -4.214 1.00 0.00 N ATOM 244 CA GLN A 16 -9.563 -6.408 -4.302 1.00 0.00 C ATOM 245 C GLN A 16 -9.057 -4.974 -4.238 1.00 0.00 C ATOM 246 O GLN A 16 -9.643 -4.073 -4.823 1.00 0.00 O ATOM 247 CB GLN A 16 -10.584 -6.720 -3.246 1.00 0.00 C ATOM 248 CG GLN A 16 -11.376 -7.963 -3.595 1.00 0.00 C ATOM 249 CD GLN A 16 -12.020 -8.574 -2.417 1.00 0.00 C ATOM 250 OE1 GLN A 16 -13.135 -8.232 -2.034 1.00 0.00 O ATOM 251 NE2 GLN A 16 -11.352 -9.532 -1.873 1.00 0.00 N ATOM 0 H GLN A 16 -8.414 -7.807 -3.301 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.048 -6.499 -5.274 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.086 -6.861 -2.287 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.262 -5.874 -3.132 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.139 -7.709 -4.331 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.714 -8.692 -4.062 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.428 -9.777 -2.230 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.747 -10.046 -1.085 1.00 0.00 H new ATOM 260 N LEU A 17 -7.966 -4.779 -3.517 1.00 0.00 N ATOM 261 CA LEU A 17 -7.309 -3.488 -3.441 1.00 0.00 C ATOM 262 C LEU A 17 -6.717 -3.233 -4.824 1.00 0.00 C ATOM 263 O LEU A 17 -6.786 -2.134 -5.350 1.00 0.00 O ATOM 264 CB LEU A 17 -6.178 -3.541 -2.378 1.00 0.00 C ATOM 265 CG LEU A 17 -5.604 -2.194 -1.824 1.00 0.00 C ATOM 266 CD1 LEU A 17 -5.109 -1.278 -2.874 1.00 0.00 C ATOM 267 CD2 LEU A 17 -6.585 -1.493 -0.943 1.00 0.00 C ATOM 0 H LEU A 17 -7.513 -5.510 -2.969 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.002 -2.697 -3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.548 -4.116 -1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.348 -4.103 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.738 -2.481 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.727 -0.367 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.309 -1.764 -3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.925 -1.027 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.148 -0.563 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.489 -1.272 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.835 -2.132 -0.096 1.00 0.00 H new ATOM 279 N SER A 18 -6.191 -4.305 -5.427 1.00 0.00 N ATOM 280 CA SER A 18 -5.604 -4.269 -6.765 1.00 0.00 C ATOM 281 C SER A 18 -6.660 -4.045 -7.862 1.00 0.00 C ATOM 282 O SER A 18 -6.368 -4.153 -9.051 1.00 0.00 O ATOM 283 CB SER A 18 -4.833 -5.558 -7.021 1.00 0.00 C ATOM 284 OG SER A 18 -3.825 -5.744 -6.036 1.00 0.00 O ATOM 0 H SER A 18 -6.162 -5.228 -4.994 1.00 0.00 H new ATOM 0 HA SER A 18 -4.922 -3.419 -6.806 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.518 -6.406 -7.012 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.379 -5.526 -8.012 1.00 0.00 H new ATOM 0 HG SER A 18 -3.373 -4.891 -5.865 1.00 0.00 H new ATOM 290 N GLN A 19 -7.873 -3.736 -7.457 1.00 0.00 N ATOM 291 CA GLN A 19 -8.911 -3.382 -8.379 1.00 0.00 C ATOM 292 C GLN A 19 -8.997 -1.862 -8.457 1.00 0.00 C ATOM 293 O GLN A 19 -9.684 -1.324 -9.306 1.00 0.00 O ATOM 294 CB GLN A 19 -10.260 -3.948 -7.937 1.00 0.00 C ATOM 295 CG GLN A 19 -10.323 -5.470 -7.862 1.00 0.00 C ATOM 296 CD GLN A 19 -11.683 -5.984 -7.399 1.00 0.00 C ATOM 297 OE1 GLN A 19 -11.786 -7.042 -6.759 1.00 0.00 O ATOM 298 NE2 GLN A 19 -12.733 -5.266 -7.727 1.00 0.00 N ATOM 0 H GLN A 19 -8.159 -3.725 -6.478 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.673 -3.803 -9.356 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.505 -3.540 -6.957 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.028 -3.601 -8.628 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.097 -5.887 -8.843 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.553 -5.828 -7.179 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.615 -4.401 -8.254 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.667 -5.574 -7.455 1.00 0.00 H new ATOM 307 N TYR A 20 -8.297 -1.190 -7.544 1.00 0.00 N ATOM 308 CA TYR A 20 -8.268 0.266 -7.474 1.00 0.00 C ATOM 309 C TYR A 20 -6.831 0.738 -7.529 1.00 0.00 C ATOM 310 O TYR A 20 -6.174 0.913 -6.495 1.00 0.00 O ATOM 311 CB TYR A 20 -8.918 0.780 -6.183 1.00 0.00 C ATOM 312 CG TYR A 20 -10.377 0.438 -6.016 1.00 0.00 C ATOM 313 CD1 TYR A 20 -10.770 -0.785 -5.492 1.00 0.00 C ATOM 314 CD2 TYR A 20 -11.361 1.344 -6.374 1.00 0.00 C ATOM 315 CE1 TYR A 20 -12.099 -1.097 -5.331 1.00 0.00 C ATOM 316 CE2 TYR A 20 -12.696 1.043 -6.213 1.00 0.00 C ATOM 317 CZ TYR A 20 -13.058 -0.183 -5.692 1.00 0.00 C ATOM 318 OH TYR A 20 -14.392 -0.491 -5.523 1.00 0.00 O ATOM 0 H TYR A 20 -7.731 -1.646 -6.828 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.833 0.659 -8.319 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -8.368 0.377 -5.333 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -8.809 1.864 -6.148 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -10.018 -1.505 -5.205 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -11.078 2.301 -6.786 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -12.387 -2.055 -4.923 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.453 1.761 -6.492 1.00 0.00 H new ATOM 0 HH TYR A 20 -14.942 0.261 -5.826 1.00 0.00 H new ATOM 328 N ASN A 21 -6.329 0.888 -8.719 1.00 0.00 N ATOM 329 CA ASN A 21 -4.937 1.252 -8.904 1.00 0.00 C ATOM 330 C ASN A 21 -4.858 2.639 -9.528 1.00 0.00 C ATOM 331 O ASN A 21 -3.790 3.243 -9.616 1.00 0.00 O ATOM 332 CB ASN A 21 -4.250 0.251 -9.846 1.00 0.00 C ATOM 333 CG ASN A 21 -4.449 -1.208 -9.472 1.00 0.00 C ATOM 334 OD1 ASN A 21 -3.670 -1.806 -8.750 1.00 0.00 O ATOM 335 ND2 ASN A 21 -5.504 -1.778 -9.970 1.00 0.00 N ATOM 0 H ASN A 21 -6.856 0.766 -9.584 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.438 1.243 -7.935 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.625 0.408 -10.857 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.181 0.465 -9.866 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.702 -2.756 -9.760 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.135 -1.247 -10.571 1.00 0.00 H new ATOM 342 N GLY A 22 -5.984 3.137 -10.002 1.00 0.00 N ATOM 343 CA GLY A 22 -6.008 4.465 -10.585 1.00 0.00 C ATOM 344 C GLY A 22 -5.963 4.446 -12.076 1.00 0.00 C ATOM 345 O GLY A 22 -6.528 5.316 -12.738 1.00 0.00 O ATOM 0 H GLY A 22 -6.881 2.651 -9.996 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.911 4.982 -10.260 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.160 5.037 -10.208 1.00 0.00 H new ATOM 349 N THR A 23 -5.317 3.449 -12.615 1.00 0.00 N ATOM 350 CA THR A 23 -5.211 3.299 -14.047 1.00 0.00 C ATOM 351 C THR A 23 -6.462 2.623 -14.559 1.00 0.00 C ATOM 352 O THR A 23 -6.658 2.440 -15.756 1.00 0.00 O ATOM 353 CB THR A 23 -3.963 2.475 -14.417 1.00 0.00 C ATOM 354 OG1 THR A 23 -3.798 2.395 -15.850 1.00 0.00 O ATOM 355 CG2 THR A 23 -4.021 1.066 -13.825 1.00 0.00 C ATOM 0 H THR A 23 -4.849 2.718 -12.079 1.00 0.00 H new ATOM 0 HA THR A 23 -5.109 4.281 -14.509 1.00 0.00 H new ATOM 0 HB THR A 23 -3.104 2.992 -13.990 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.672 2.479 -16.285 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.124 0.515 -14.108 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.080 1.130 -12.738 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.900 0.547 -14.206 1.00 0.00 H new ATOM 363 N ASP A 24 -7.288 2.274 -13.634 1.00 0.00 N ATOM 364 CA ASP A 24 -8.513 1.622 -13.881 1.00 0.00 C ATOM 365 C ASP A 24 -9.674 2.577 -13.875 1.00 0.00 C ATOM 366 O ASP A 24 -10.307 2.791 -12.856 1.00 0.00 O ATOM 367 CB ASP A 24 -8.730 0.459 -12.913 1.00 0.00 C ATOM 368 CG ASP A 24 -8.073 0.683 -11.559 1.00 0.00 C ATOM 369 OD1 ASP A 24 -8.545 1.499 -10.762 1.00 0.00 O ATOM 370 OD2 ASP A 24 -7.039 0.040 -11.304 1.00 0.00 O ATOM 0 H ASP A 24 -7.114 2.446 -12.644 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.457 1.205 -14.886 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.800 0.306 -12.771 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.334 -0.455 -13.356 1.00 0.00 H new ATOM 375 N GLU A 25 -9.881 3.232 -15.020 1.00 0.00 N ATOM 376 CA GLU A 25 -11.010 4.153 -15.258 1.00 0.00 C ATOM 377 C GLU A 25 -11.012 5.329 -14.308 1.00 0.00 C ATOM 378 O GLU A 25 -12.032 6.022 -14.150 1.00 0.00 O ATOM 379 CB GLU A 25 -12.329 3.415 -15.203 1.00 0.00 C ATOM 380 CG GLU A 25 -12.429 2.316 -16.223 1.00 0.00 C ATOM 381 CD GLU A 25 -12.160 2.810 -17.623 1.00 0.00 C ATOM 382 OE1 GLU A 25 -13.072 3.417 -18.245 1.00 0.00 O ATOM 383 OE2 GLU A 25 -11.025 2.616 -18.119 1.00 0.00 O ATOM 0 H GLU A 25 -9.262 3.140 -15.825 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.878 4.559 -16.261 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.461 2.992 -14.207 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.142 4.124 -15.359 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.719 1.527 -15.975 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -13.424 1.873 -16.181 1.00 0.00 H new ATOM 390 N SER A 26 -9.870 5.546 -13.707 1.00 0.00 N ATOM 391 CA SER A 26 -9.622 6.642 -12.790 1.00 0.00 C ATOM 392 C SER A 26 -10.437 6.469 -11.497 1.00 0.00 C ATOM 393 O SER A 26 -10.957 7.444 -10.927 1.00 0.00 O ATOM 394 CB SER A 26 -9.908 7.994 -13.486 1.00 0.00 C ATOM 395 OG SER A 26 -9.650 9.101 -12.633 1.00 0.00 O ATOM 0 H SER A 26 -9.056 4.947 -13.844 1.00 0.00 H new ATOM 0 HA SER A 26 -8.570 6.635 -12.503 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.293 8.077 -14.382 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.948 8.021 -13.810 1.00 0.00 H new ATOM 0 HG SER A 26 -10.082 8.953 -11.766 1.00 0.00 H new ATOM 401 N LYS A 27 -10.539 5.234 -11.028 1.00 0.00 N ATOM 402 CA LYS A 27 -11.177 4.978 -9.753 1.00 0.00 C ATOM 403 C LYS A 27 -10.213 5.388 -8.630 1.00 0.00 C ATOM 404 O LYS A 27 -9.008 5.521 -8.890 1.00 0.00 O ATOM 405 CB LYS A 27 -11.561 3.505 -9.636 1.00 0.00 C ATOM 406 CG LYS A 27 -12.541 3.043 -10.704 1.00 0.00 C ATOM 407 CD LYS A 27 -12.926 1.588 -10.529 1.00 0.00 C ATOM 408 CE LYS A 27 -11.715 0.685 -10.571 1.00 0.00 C ATOM 409 NZ LYS A 27 -12.073 -0.734 -10.449 1.00 0.00 N ATOM 0 H LYS A 27 -10.191 4.404 -11.508 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.093 5.563 -9.672 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.658 2.897 -9.696 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.999 3.329 -8.653 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.437 3.662 -10.666 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.097 3.185 -11.689 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.444 1.460 -9.579 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.624 1.298 -11.314 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.179 0.843 -11.507 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.034 0.956 -9.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.259 -1.267 -10.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.876 -0.834 -9.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.337 -1.107 -11.383 1.00 0.00 H new ATOM 423 N PRO A 28 -10.724 5.626 -7.383 1.00 0.00 N ATOM 424 CA PRO A 28 -9.884 6.046 -6.247 1.00 0.00 C ATOM 425 C PRO A 28 -8.660 5.155 -6.066 1.00 0.00 C ATOM 426 O PRO A 28 -8.763 3.932 -6.033 1.00 0.00 O ATOM 427 CB PRO A 28 -10.815 5.922 -5.047 1.00 0.00 C ATOM 428 CG PRO A 28 -12.176 6.098 -5.607 1.00 0.00 C ATOM 429 CD PRO A 28 -12.141 5.506 -6.990 1.00 0.00 C ATOM 0 HA PRO A 28 -9.485 7.050 -6.390 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.709 4.952 -4.562 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.595 6.680 -4.295 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.920 5.596 -4.988 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.449 7.153 -5.642 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.470 4.467 -6.990 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.794 6.047 -7.674 1.00 0.00 H new ATOM 437 N ILE A 29 -7.521 5.782 -5.932 1.00 0.00 N ATOM 438 CA ILE A 29 -6.273 5.071 -5.866 1.00 0.00 C ATOM 439 C ILE A 29 -5.927 4.819 -4.415 1.00 0.00 C ATOM 440 O ILE A 29 -5.995 5.743 -3.580 1.00 0.00 O ATOM 441 CB ILE A 29 -5.073 5.857 -6.508 1.00 0.00 C ATOM 442 CG1 ILE A 29 -5.378 6.409 -7.910 1.00 0.00 C ATOM 443 CG2 ILE A 29 -3.857 4.953 -6.602 1.00 0.00 C ATOM 444 CD1 ILE A 29 -6.278 7.628 -7.959 1.00 0.00 C ATOM 0 H ILE A 29 -7.433 6.796 -5.866 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.412 4.148 -6.429 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.887 6.709 -5.854 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.434 6.658 -8.395 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.839 5.616 -8.499 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.028 5.503 -7.048 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.575 4.618 -5.604 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.094 4.088 -7.222 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.425 7.930 -8.996 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.242 7.387 -7.511 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.815 8.445 -7.405 1.00 0.00 H new ATOM 456 N TYR A 30 -5.557 3.608 -4.106 1.00 0.00 N ATOM 457 CA TYR A 30 -5.209 3.254 -2.765 1.00 0.00 C ATOM 458 C TYR A 30 -3.903 2.528 -2.718 1.00 0.00 C ATOM 459 O TYR A 30 -3.576 1.747 -3.606 1.00 0.00 O ATOM 460 CB TYR A 30 -6.300 2.390 -2.122 1.00 0.00 C ATOM 461 CG TYR A 30 -7.650 3.059 -2.003 1.00 0.00 C ATOM 462 CD1 TYR A 30 -7.871 4.023 -1.041 1.00 0.00 C ATOM 463 CD2 TYR A 30 -8.697 2.733 -2.855 1.00 0.00 C ATOM 464 CE1 TYR A 30 -9.089 4.645 -0.923 1.00 0.00 C ATOM 465 CE2 TYR A 30 -9.925 3.356 -2.744 1.00 0.00 C ATOM 466 CZ TYR A 30 -10.110 4.315 -1.769 1.00 0.00 C ATOM 467 OH TYR A 30 -11.328 4.951 -1.640 1.00 0.00 O ATOM 0 H TYR A 30 -5.489 2.843 -4.777 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.115 4.182 -2.201 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.413 1.477 -2.707 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.969 2.092 -1.127 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.071 4.293 -0.368 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.549 1.981 -3.616 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -9.240 5.395 -0.161 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.732 3.095 -3.413 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.950 4.607 -2.315 1.00 0.00 H new ATOM 477 N VAL A 31 -3.154 2.816 -1.705 1.00 0.00 N ATOM 478 CA VAL A 31 -1.940 2.110 -1.415 1.00 0.00 C ATOM 479 C VAL A 31 -2.118 1.479 -0.071 1.00 0.00 C ATOM 480 O VAL A 31 -3.003 1.889 0.694 1.00 0.00 O ATOM 481 CB VAL A 31 -0.674 3.015 -1.363 1.00 0.00 C ATOM 482 CG1 VAL A 31 -0.336 3.633 -2.700 1.00 0.00 C ATOM 483 CG2 VAL A 31 -0.805 4.081 -0.301 1.00 0.00 C ATOM 0 H VAL A 31 -3.368 3.561 -1.042 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.772 1.393 -2.218 1.00 0.00 H new ATOM 0 HB VAL A 31 0.156 2.360 -1.099 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.555 4.252 -2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.150 2.844 -3.429 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.170 4.249 -3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.095 4.696 -0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.670 4.707 -0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.934 3.610 0.673 1.00 0.00 H new ATOM 493 N ALA A 32 -1.333 0.514 0.231 1.00 0.00 N ATOM 494 CA ALA A 32 -1.419 -0.094 1.504 1.00 0.00 C ATOM 495 C ALA A 32 -0.050 -0.412 2.032 1.00 0.00 C ATOM 496 O ALA A 32 0.851 -0.782 1.273 1.00 0.00 O ATOM 497 CB ALA A 32 -2.301 -1.322 1.448 1.00 0.00 C ATOM 0 H ALA A 32 -0.621 0.127 -0.388 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.880 0.609 2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.355 -1.777 2.437 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.302 -1.037 1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.882 -2.039 0.742 1.00 0.00 H new ATOM 503 N ILE A 33 0.121 -0.207 3.308 1.00 0.00 N ATOM 504 CA ILE A 33 1.359 -0.509 3.985 1.00 0.00 C ATOM 505 C ILE A 33 0.995 -1.158 5.292 1.00 0.00 C ATOM 506 O ILE A 33 0.282 -0.541 6.104 1.00 0.00 O ATOM 507 CB ILE A 33 2.190 0.772 4.310 1.00 0.00 C ATOM 508 CG1 ILE A 33 2.440 1.617 3.070 1.00 0.00 C ATOM 509 CG2 ILE A 33 3.522 0.401 4.952 1.00 0.00 C ATOM 510 CD1 ILE A 33 3.242 2.857 3.366 1.00 0.00 C ATOM 0 H ILE A 33 -0.601 0.178 3.917 1.00 0.00 H new ATOM 0 HA ILE A 33 1.963 -1.145 3.338 1.00 0.00 H new ATOM 0 HB ILE A 33 1.601 1.364 5.011 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.966 1.018 2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.484 1.903 2.631 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.086 1.308 5.171 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.340 -0.145 5.878 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.094 -0.225 4.267 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.391 3.422 2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.706 3.473 4.088 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.210 2.574 3.779 1.00 0.00 H new ATOM 522 N LYS A 34 1.442 -2.387 5.492 1.00 0.00 N ATOM 523 CA LYS A 34 1.173 -3.142 6.711 1.00 0.00 C ATOM 524 C LYS A 34 -0.299 -3.452 6.893 1.00 0.00 C ATOM 525 O LYS A 34 -0.765 -3.685 8.011 1.00 0.00 O ATOM 526 CB LYS A 34 1.760 -2.438 7.934 1.00 0.00 C ATOM 527 CG LYS A 34 3.061 -3.033 8.415 1.00 0.00 C ATOM 528 CD LYS A 34 2.798 -4.423 8.951 1.00 0.00 C ATOM 529 CE LYS A 34 4.021 -5.062 9.543 1.00 0.00 C ATOM 530 NZ LYS A 34 3.688 -6.369 10.134 1.00 0.00 N ATOM 0 H LYS A 34 2.006 -2.895 4.810 1.00 0.00 H new ATOM 0 HA LYS A 34 1.674 -4.104 6.606 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.919 -1.387 7.695 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.033 -2.474 8.746 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.781 -3.075 7.598 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.497 -2.406 9.193 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.017 -4.373 9.710 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.419 -5.052 8.145 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.781 -5.188 8.772 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.446 -4.409 10.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.546 -6.796 10.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.979 -6.240 10.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.304 -6.995 9.398 1.00 0.00 H new ATOM 544 N GLY A 35 -1.017 -3.505 5.795 1.00 0.00 N ATOM 545 CA GLY A 35 -2.410 -3.819 5.850 1.00 0.00 C ATOM 546 C GLY A 35 -3.262 -2.609 6.121 1.00 0.00 C ATOM 547 O GLY A 35 -4.440 -2.729 6.423 1.00 0.00 O ATOM 0 H GLY A 35 -0.652 -3.334 4.858 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.715 -4.270 4.906 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.581 -4.562 6.629 1.00 0.00 H new ATOM 551 N ARG A 36 -2.679 -1.456 6.024 1.00 0.00 N ATOM 552 CA ARG A 36 -3.387 -0.226 6.240 1.00 0.00 C ATOM 553 C ARG A 36 -3.523 0.466 4.915 1.00 0.00 C ATOM 554 O ARG A 36 -2.526 0.694 4.236 1.00 0.00 O ATOM 555 CB ARG A 36 -2.589 0.635 7.194 1.00 0.00 C ATOM 556 CG ARG A 36 -2.321 -0.033 8.525 1.00 0.00 C ATOM 557 CD ARG A 36 -1.312 0.742 9.328 1.00 0.00 C ATOM 558 NE ARG A 36 -0.019 0.767 8.639 1.00 0.00 N ATOM 559 CZ ARG A 36 1.167 0.842 9.233 1.00 0.00 C ATOM 560 NH1 ARG A 36 1.252 0.941 10.555 1.00 0.00 N ATOM 561 NH2 ARG A 36 2.264 0.815 8.499 1.00 0.00 N ATOM 0 H ARG A 36 -1.693 -1.337 5.792 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.373 -0.410 6.667 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.638 0.895 6.728 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.126 1.568 7.366 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.251 -0.116 9.087 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.957 -1.047 8.359 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.667 1.761 9.484 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.197 0.290 10.313 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.030 0.723 7.620 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.403 0.960 11.121 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.166 0.998 11.004 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.197 0.737 7.484 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.179 0.872 8.947 1.00 0.00 H new ATOM 575 N VAL A 37 -4.725 0.776 4.549 1.00 0.00 N ATOM 576 CA VAL A 37 -5.002 1.395 3.275 1.00 0.00 C ATOM 577 C VAL A 37 -4.977 2.902 3.397 1.00 0.00 C ATOM 578 O VAL A 37 -5.642 3.477 4.256 1.00 0.00 O ATOM 579 CB VAL A 37 -6.372 0.936 2.712 1.00 0.00 C ATOM 580 CG1 VAL A 37 -6.688 1.626 1.403 1.00 0.00 C ATOM 581 CG2 VAL A 37 -6.371 -0.558 2.510 1.00 0.00 C ATOM 0 H VAL A 37 -5.552 0.610 5.122 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.222 1.081 2.581 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.140 1.208 3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.655 1.283 1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.721 2.704 1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.916 1.389 0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.337 -0.872 2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.585 -0.829 1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.191 -1.054 3.464 1.00 0.00 H new ATOM 591 N PHE A 38 -4.211 3.523 2.552 1.00 0.00 N ATOM 592 CA PHE A 38 -4.092 4.957 2.519 1.00 0.00 C ATOM 593 C PHE A 38 -4.672 5.449 1.217 1.00 0.00 C ATOM 594 O PHE A 38 -4.465 4.820 0.161 1.00 0.00 O ATOM 595 CB PHE A 38 -2.622 5.377 2.577 1.00 0.00 C ATOM 596 CG PHE A 38 -1.858 4.867 3.758 1.00 0.00 C ATOM 597 CD1 PHE A 38 -1.247 3.626 3.716 1.00 0.00 C ATOM 598 CD2 PHE A 38 -1.738 5.626 4.901 1.00 0.00 C ATOM 599 CE1 PHE A 38 -0.538 3.155 4.794 1.00 0.00 C ATOM 600 CE2 PHE A 38 -1.029 5.155 5.982 1.00 0.00 C ATOM 601 CZ PHE A 38 -0.428 3.917 5.929 1.00 0.00 C ATOM 0 H PHE A 38 -3.641 3.045 1.854 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.618 5.379 3.375 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.127 5.034 1.669 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.572 6.466 2.575 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.329 3.021 2.825 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.204 6.599 4.949 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.067 2.184 4.748 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.944 5.758 6.874 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.128 3.548 6.778 1.00 0.00 H new ATOM 611 N ASP A 39 -5.391 6.539 1.263 1.00 0.00 N ATOM 612 CA ASP A 39 -5.948 7.107 0.047 1.00 0.00 C ATOM 613 C ASP A 39 -4.917 8.018 -0.564 1.00 0.00 C ATOM 614 O ASP A 39 -4.430 8.946 0.093 1.00 0.00 O ATOM 615 CB ASP A 39 -7.230 7.895 0.320 1.00 0.00 C ATOM 616 CG ASP A 39 -7.899 8.381 -0.960 1.00 0.00 C ATOM 617 OD1 ASP A 39 -7.370 9.290 -1.615 1.00 0.00 O ATOM 618 OD2 ASP A 39 -8.973 7.839 -1.325 1.00 0.00 O ATOM 0 H ASP A 39 -5.608 7.053 2.117 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.204 6.294 -0.632 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.927 7.267 0.875 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.999 8.752 0.953 1.00 0.00 H new ATOM 623 N VAL A 40 -4.567 7.765 -1.794 1.00 0.00 N ATOM 624 CA VAL A 40 -3.552 8.550 -2.451 1.00 0.00 C ATOM 625 C VAL A 40 -4.086 9.330 -3.632 1.00 0.00 C ATOM 626 O VAL A 40 -3.332 9.681 -4.533 1.00 0.00 O ATOM 627 CB VAL A 40 -2.324 7.704 -2.879 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.559 7.217 -1.675 1.00 0.00 C ATOM 629 CG2 VAL A 40 -2.741 6.529 -3.730 1.00 0.00 C ATOM 0 H VAL A 40 -4.968 7.021 -2.365 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.220 9.267 -1.700 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.675 8.349 -3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.703 6.627 -2.002 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.210 8.072 -1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.210 6.600 -1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.859 5.955 -4.015 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.421 5.893 -3.164 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.244 6.890 -4.627 1.00 0.00 H new ATOM 639 N THR A 41 -5.368 9.666 -3.613 1.00 0.00 N ATOM 640 CA THR A 41 -5.920 10.494 -4.688 1.00 0.00 C ATOM 641 C THR A 41 -5.333 11.903 -4.595 1.00 0.00 C ATOM 642 O THR A 41 -5.195 12.608 -5.589 1.00 0.00 O ATOM 643 CB THR A 41 -7.457 10.558 -4.646 1.00 0.00 C ATOM 644 OG1 THR A 41 -7.887 11.035 -3.365 1.00 0.00 O ATOM 645 CG2 THR A 41 -8.062 9.188 -4.918 1.00 0.00 C ATOM 0 H THR A 41 -6.033 9.390 -2.890 1.00 0.00 H new ATOM 0 HA THR A 41 -5.645 10.035 -5.637 1.00 0.00 H new ATOM 0 HB THR A 41 -7.797 11.244 -5.422 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.053 10.273 -2.771 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.149 9.257 -4.883 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.752 8.842 -5.904 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.719 8.482 -4.162 1.00 0.00 H new ATOM 653 N THR A 42 -4.955 12.270 -3.373 1.00 0.00 N ATOM 654 CA THR A 42 -4.295 13.525 -3.078 1.00 0.00 C ATOM 655 C THR A 42 -2.907 13.572 -3.768 1.00 0.00 C ATOM 656 O THR A 42 -2.343 14.640 -4.002 1.00 0.00 O ATOM 657 CB THR A 42 -4.170 13.734 -1.525 1.00 0.00 C ATOM 658 OG1 THR A 42 -3.490 14.957 -1.214 1.00 0.00 O ATOM 659 CG2 THR A 42 -3.452 12.566 -0.860 1.00 0.00 C ATOM 0 H THR A 42 -5.105 11.688 -2.549 1.00 0.00 H new ATOM 0 HA THR A 42 -4.898 14.343 -3.472 1.00 0.00 H new ATOM 0 HB THR A 42 -5.186 13.788 -1.133 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.429 15.059 -0.241 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.384 12.744 0.213 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.009 11.646 -1.040 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.449 12.471 -1.277 1.00 0.00 H new ATOM 667 N GLY A 43 -2.371 12.405 -4.081 1.00 0.00 N ATOM 668 CA GLY A 43 -1.106 12.315 -4.759 1.00 0.00 C ATOM 669 C GLY A 43 -1.243 11.467 -5.994 1.00 0.00 C ATOM 670 O GLY A 43 -0.347 10.698 -6.342 1.00 0.00 O ATOM 0 H GLY A 43 -2.802 11.505 -3.871 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.757 13.312 -5.029 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.357 11.885 -4.094 1.00 0.00 H new ATOM 674 N LYS A 44 -2.374 11.621 -6.675 1.00 0.00 N ATOM 675 CA LYS A 44 -2.701 10.824 -7.853 1.00 0.00 C ATOM 676 C LYS A 44 -1.644 10.990 -8.929 1.00 0.00 C ATOM 677 O LYS A 44 -1.348 10.055 -9.665 1.00 0.00 O ATOM 678 CB LYS A 44 -4.050 11.236 -8.411 1.00 0.00 C ATOM 679 CG LYS A 44 -4.516 10.399 -9.587 1.00 0.00 C ATOM 680 CD LYS A 44 -5.771 10.974 -10.166 1.00 0.00 C ATOM 681 CE LYS A 44 -6.314 10.137 -11.311 1.00 0.00 C ATOM 682 NZ LYS A 44 -7.547 10.730 -11.868 1.00 0.00 N ATOM 0 H LYS A 44 -3.091 12.303 -6.426 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.736 9.778 -7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.794 11.173 -7.617 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.000 12.280 -8.719 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.738 10.365 -10.349 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.692 9.373 -9.265 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.527 11.051 -9.385 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.575 11.986 -10.520 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.561 10.055 -12.094 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.520 9.126 -10.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.286 10.001 -11.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.872 11.500 -11.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.353 11.107 -12.817 1.00 0.00 H new ATOM 696 N SER A 45 -1.074 12.171 -8.992 1.00 0.00 N ATOM 697 CA SER A 45 -0.032 12.507 -9.947 1.00 0.00 C ATOM 698 C SER A 45 1.186 11.556 -9.824 1.00 0.00 C ATOM 699 O SER A 45 1.944 11.378 -10.775 1.00 0.00 O ATOM 700 CB SER A 45 0.380 13.955 -9.721 1.00 0.00 C ATOM 701 OG SER A 45 -0.771 14.796 -9.751 1.00 0.00 O ATOM 0 H SER A 45 -1.323 12.942 -8.372 1.00 0.00 H new ATOM 0 HA SER A 45 -0.420 12.385 -10.958 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.888 14.052 -8.761 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.088 14.265 -10.489 1.00 0.00 H new ATOM 0 HG SER A 45 -0.500 15.726 -9.603 1.00 0.00 H new ATOM 707 N PHE A 46 1.349 10.946 -8.657 1.00 0.00 N ATOM 708 CA PHE A 46 2.427 10.005 -8.428 1.00 0.00 C ATOM 709 C PHE A 46 1.952 8.581 -8.715 1.00 0.00 C ATOM 710 O PHE A 46 2.614 7.818 -9.422 1.00 0.00 O ATOM 711 CB PHE A 46 2.902 10.057 -6.963 1.00 0.00 C ATOM 712 CG PHE A 46 3.415 11.386 -6.484 1.00 0.00 C ATOM 713 CD1 PHE A 46 2.544 12.339 -5.977 1.00 0.00 C ATOM 714 CD2 PHE A 46 4.766 11.673 -6.516 1.00 0.00 C ATOM 715 CE1 PHE A 46 3.014 13.550 -5.516 1.00 0.00 C ATOM 716 CE2 PHE A 46 5.241 12.885 -6.057 1.00 0.00 C ATOM 717 CZ PHE A 46 4.364 13.824 -5.556 1.00 0.00 C ATOM 0 H PHE A 46 0.741 11.091 -7.851 1.00 0.00 H new ATOM 0 HA PHE A 46 3.247 10.278 -9.092 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.073 9.757 -6.322 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.691 9.316 -6.831 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.485 12.130 -5.943 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.458 10.941 -6.905 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.325 14.283 -5.124 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.299 13.098 -6.090 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.734 14.772 -5.196 1.00 0.00 H new ATOM 727 N TYR A 47 0.795 8.234 -8.167 1.00 0.00 N ATOM 728 CA TYR A 47 0.313 6.862 -8.210 1.00 0.00 C ATOM 729 C TYR A 47 -0.621 6.587 -9.400 1.00 0.00 C ATOM 730 O TYR A 47 -0.271 5.828 -10.304 1.00 0.00 O ATOM 731 CB TYR A 47 -0.386 6.530 -6.884 1.00 0.00 C ATOM 732 CG TYR A 47 0.470 6.840 -5.669 1.00 0.00 C ATOM 733 CD1 TYR A 47 1.354 5.912 -5.142 1.00 0.00 C ATOM 734 CD2 TYR A 47 0.397 8.083 -5.067 1.00 0.00 C ATOM 735 CE1 TYR A 47 2.143 6.227 -4.047 1.00 0.00 C ATOM 736 CE2 TYR A 47 1.168 8.401 -3.983 1.00 0.00 C ATOM 737 CZ TYR A 47 2.038 7.478 -3.473 1.00 0.00 C ATOM 738 OH TYR A 47 2.819 7.813 -2.391 1.00 0.00 O ATOM 0 H TYR A 47 0.173 8.885 -7.687 1.00 0.00 H new ATOM 0 HA TYR A 47 1.178 6.214 -8.351 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.317 7.093 -6.819 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.652 5.473 -6.874 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.429 4.932 -5.590 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.286 8.821 -5.463 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.834 5.500 -3.646 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.090 9.379 -3.531 1.00 0.00 H new ATOM 0 HH TYR A 47 2.807 7.081 -1.740 1.00 0.00 H new ATOM 748 N GLY A 48 -1.775 7.255 -9.435 1.00 0.00 N ATOM 749 CA GLY A 48 -2.796 6.941 -10.429 1.00 0.00 C ATOM 750 C GLY A 48 -2.612 7.642 -11.749 1.00 0.00 C ATOM 751 O GLY A 48 -3.563 7.812 -12.495 1.00 0.00 O ATOM 0 H GLY A 48 -2.022 8.008 -8.793 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.801 5.865 -10.600 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.773 7.204 -10.024 1.00 0.00 H new ATOM 755 N SER A 49 -1.411 8.046 -12.035 1.00 0.00 N ATOM 756 CA SER A 49 -1.118 8.697 -13.284 1.00 0.00 C ATOM 757 C SER A 49 -0.124 7.859 -14.067 1.00 0.00 C ATOM 758 O SER A 49 0.399 8.280 -15.099 1.00 0.00 O ATOM 759 CB SER A 49 -0.566 10.088 -13.014 1.00 0.00 C ATOM 760 OG SER A 49 -1.499 10.847 -12.257 1.00 0.00 O ATOM 0 H SER A 49 -0.608 7.936 -11.416 1.00 0.00 H new ATOM 0 HA SER A 49 -2.028 8.797 -13.876 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.378 10.014 -12.474 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.355 10.593 -13.957 1.00 0.00 H new ATOM 0 HG SER A 49 -1.540 10.497 -11.342 1.00 0.00 H new ATOM 766 N GLY A 50 0.107 6.648 -13.573 1.00 0.00 N ATOM 767 CA GLY A 50 1.051 5.768 -14.200 1.00 0.00 C ATOM 768 C GLY A 50 2.459 6.233 -13.957 1.00 0.00 C ATOM 769 O GLY A 50 3.280 6.285 -14.876 1.00 0.00 O ATOM 0 H GLY A 50 -0.350 6.266 -12.745 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.925 4.757 -13.812 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.858 5.725 -15.272 1.00 0.00 H new ATOM 773 N GLY A 51 2.742 6.591 -12.734 1.00 0.00 N ATOM 774 CA GLY A 51 4.055 7.060 -12.403 1.00 0.00 C ATOM 775 C GLY A 51 4.926 5.940 -11.894 1.00 0.00 C ATOM 776 O GLY A 51 4.538 4.768 -11.957 1.00 0.00 O ATOM 0 H GLY A 51 2.083 6.566 -11.956 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.515 7.510 -13.283 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.984 7.841 -11.646 1.00 0.00 H new ATOM 780 N ASP A 52 6.081 6.292 -11.377 1.00 0.00 N ATOM 781 CA ASP A 52 7.021 5.321 -10.798 1.00 0.00 C ATOM 782 C ASP A 52 6.369 4.596 -9.639 1.00 0.00 C ATOM 783 O ASP A 52 6.543 3.392 -9.439 1.00 0.00 O ATOM 784 CB ASP A 52 8.274 6.051 -10.302 1.00 0.00 C ATOM 785 CG ASP A 52 9.246 5.154 -9.559 1.00 0.00 C ATOM 786 OD1 ASP A 52 10.152 4.566 -10.205 1.00 0.00 O ATOM 787 OD2 ASP A 52 9.139 5.047 -8.326 1.00 0.00 O ATOM 0 H ASP A 52 6.408 7.257 -11.339 1.00 0.00 H new ATOM 0 HA ASP A 52 7.299 4.596 -11.563 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.785 6.499 -11.155 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.973 6.868 -9.646 1.00 0.00 H new ATOM 792 N TYR A 53 5.566 5.330 -8.918 1.00 0.00 N ATOM 793 CA TYR A 53 4.914 4.825 -7.752 1.00 0.00 C ATOM 794 C TYR A 53 3.558 4.196 -8.063 1.00 0.00 C ATOM 795 O TYR A 53 2.769 3.929 -7.168 1.00 0.00 O ATOM 796 CB TYR A 53 4.846 5.907 -6.669 1.00 0.00 C ATOM 797 CG TYR A 53 6.232 6.288 -6.190 1.00 0.00 C ATOM 798 CD1 TYR A 53 6.876 5.517 -5.237 1.00 0.00 C ATOM 799 CD2 TYR A 53 6.914 7.382 -6.715 1.00 0.00 C ATOM 800 CE1 TYR A 53 8.152 5.809 -4.817 1.00 0.00 C ATOM 801 CE2 TYR A 53 8.198 7.690 -6.290 1.00 0.00 C ATOM 802 CZ TYR A 53 8.809 6.891 -5.341 1.00 0.00 C ATOM 803 OH TYR A 53 10.093 7.166 -4.928 1.00 0.00 O ATOM 0 H TYR A 53 5.347 6.304 -9.130 1.00 0.00 H new ATOM 0 HA TYR A 53 5.515 4.007 -7.356 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.339 6.788 -7.062 1.00 0.00 H new ATOM 0 HB3 TYR A 53 4.253 5.547 -5.828 1.00 0.00 H new ATOM 0 HD1 TYR A 53 6.364 4.666 -4.814 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.437 7.999 -7.463 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.635 5.188 -4.077 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.716 8.546 -6.697 1.00 0.00 H new ATOM 0 HH TYR A 53 10.422 7.964 -5.392 1.00 0.00 H new ATOM 813 N SER A 54 3.328 3.882 -9.335 1.00 0.00 N ATOM 814 CA SER A 54 2.107 3.201 -9.751 1.00 0.00 C ATOM 815 C SER A 54 2.174 1.727 -9.327 1.00 0.00 C ATOM 816 O SER A 54 1.192 1.001 -9.408 1.00 0.00 O ATOM 817 CB SER A 54 1.930 3.299 -11.272 1.00 0.00 C ATOM 818 OG SER A 54 0.710 2.704 -11.700 1.00 0.00 O ATOM 0 H SER A 54 3.974 4.089 -10.097 1.00 0.00 H new ATOM 0 HA SER A 54 1.253 3.680 -9.271 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.950 4.346 -11.574 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.768 2.809 -11.768 1.00 0.00 H new ATOM 0 HG SER A 54 0.486 1.955 -11.109 1.00 0.00 H new ATOM 824 N MET A 55 3.347 1.312 -8.874 1.00 0.00 N ATOM 825 CA MET A 55 3.580 -0.055 -8.404 1.00 0.00 C ATOM 826 C MET A 55 2.916 -0.218 -7.059 1.00 0.00 C ATOM 827 O MET A 55 2.525 -1.292 -6.667 1.00 0.00 O ATOM 828 CB MET A 55 5.082 -0.290 -8.238 1.00 0.00 C ATOM 829 CG MET A 55 5.874 0.113 -9.446 1.00 0.00 C ATOM 830 SD MET A 55 5.428 -0.803 -10.931 1.00 0.00 S ATOM 831 CE MET A 55 6.490 -0.020 -12.136 1.00 0.00 C ATOM 0 H MET A 55 4.170 1.912 -8.820 1.00 0.00 H new ATOM 0 HA MET A 55 3.174 -0.767 -9.123 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.439 0.269 -7.373 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.258 -1.345 -8.030 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.729 1.178 -9.628 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.935 -0.034 -9.242 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.940 0.125 -13.066 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.821 0.947 -11.756 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.358 -0.653 -12.322 1.00 0.00 H new ATOM 841 N PHE A 56 2.774 0.896 -6.384 1.00 0.00 N ATOM 842 CA PHE A 56 2.222 0.956 -5.053 1.00 0.00 C ATOM 843 C PHE A 56 0.721 1.113 -5.133 1.00 0.00 C ATOM 844 O PHE A 56 0.000 0.856 -4.176 1.00 0.00 O ATOM 845 CB PHE A 56 2.839 2.152 -4.309 1.00 0.00 C ATOM 846 CG PHE A 56 4.340 2.069 -4.163 1.00 0.00 C ATOM 847 CD1 PHE A 56 5.178 2.276 -5.248 1.00 0.00 C ATOM 848 CD2 PHE A 56 4.904 1.783 -2.950 1.00 0.00 C ATOM 849 CE1 PHE A 56 6.545 2.191 -5.114 1.00 0.00 C ATOM 850 CE2 PHE A 56 6.266 1.699 -2.808 1.00 0.00 C ATOM 851 CZ PHE A 56 7.093 1.901 -3.890 1.00 0.00 C ATOM 0 H PHE A 56 3.045 1.807 -6.753 1.00 0.00 H new ATOM 0 HA PHE A 56 2.451 0.036 -4.514 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.585 3.069 -4.840 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.390 2.223 -3.318 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.752 2.507 -6.213 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.268 1.621 -2.092 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.184 2.352 -5.969 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.692 1.473 -1.842 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.165 1.832 -3.776 1.00 0.00 H new ATOM 861 N ALA A 57 0.265 1.511 -6.292 1.00 0.00 N ATOM 862 CA ALA A 57 -1.125 1.753 -6.529 1.00 0.00 C ATOM 863 C ALA A 57 -1.866 0.445 -6.672 1.00 0.00 C ATOM 864 O ALA A 57 -1.604 -0.324 -7.590 1.00 0.00 O ATOM 865 CB ALA A 57 -1.292 2.604 -7.771 1.00 0.00 C ATOM 0 H ALA A 57 0.859 1.677 -7.104 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.546 2.290 -5.679 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.352 2.786 -7.948 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.779 3.556 -7.632 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.865 2.084 -8.629 1.00 0.00 H new ATOM 871 N GLY A 58 -2.733 0.179 -5.722 1.00 0.00 N ATOM 872 CA GLY A 58 -3.543 -1.006 -5.739 1.00 0.00 C ATOM 873 C GLY A 58 -2.809 -2.134 -5.098 1.00 0.00 C ATOM 874 O GLY A 58 -3.098 -3.301 -5.328 1.00 0.00 O ATOM 0 H GLY A 58 -2.893 0.783 -4.916 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.479 -0.824 -5.212 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.801 -1.266 -6.766 1.00 0.00 H new ATOM 878 N LYS A 59 -1.862 -1.789 -4.275 1.00 0.00 N ATOM 879 CA LYS A 59 -0.971 -2.744 -3.719 1.00 0.00 C ATOM 880 C LYS A 59 -0.593 -2.437 -2.300 1.00 0.00 C ATOM 881 O LYS A 59 -0.407 -1.273 -1.925 1.00 0.00 O ATOM 882 CB LYS A 59 0.294 -2.737 -4.569 1.00 0.00 C ATOM 883 CG LYS A 59 0.176 -3.440 -5.905 1.00 0.00 C ATOM 884 CD LYS A 59 0.245 -4.955 -5.753 1.00 0.00 C ATOM 885 CE LYS A 59 -0.184 -5.654 -7.028 1.00 0.00 C ATOM 886 NZ LYS A 59 0.683 -5.305 -8.192 1.00 0.00 N ATOM 0 H LYS A 59 -1.692 -0.829 -3.974 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.470 -3.713 -3.715 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.588 -1.702 -4.745 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.098 -3.205 -4.000 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.766 -3.164 -6.379 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.976 -3.104 -6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.262 -5.251 -5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.396 -5.270 -4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.161 -6.733 -6.872 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.216 -5.387 -7.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.412 -5.884 -9.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.564 -4.298 -8.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.678 -5.489 -7.951 1.00 0.00 H new ATOM 900 N ASP A 60 -0.497 -3.481 -1.499 1.00 0.00 N ATOM 901 CA ASP A 60 0.141 -3.353 -0.212 1.00 0.00 C ATOM 902 C ASP A 60 1.592 -3.518 -0.531 1.00 0.00 C ATOM 903 O ASP A 60 2.076 -4.619 -0.759 1.00 0.00 O ATOM 904 CB ASP A 60 -0.330 -4.408 0.813 1.00 0.00 C ATOM 905 CG ASP A 60 0.292 -4.202 2.208 1.00 0.00 C ATOM 906 OD1 ASP A 60 1.424 -4.674 2.446 1.00 0.00 O ATOM 907 OD2 ASP A 60 -0.356 -3.591 3.089 1.00 0.00 O ATOM 0 H ASP A 60 -0.849 -4.413 -1.716 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.100 -2.403 0.264 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.416 -4.369 0.895 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.073 -5.403 0.449 1.00 0.00 H new ATOM 912 N ALA A 61 2.254 -2.426 -0.641 1.00 0.00 N ATOM 913 CA ALA A 61 3.582 -2.387 -1.171 1.00 0.00 C ATOM 914 C ALA A 61 4.619 -2.365 -0.089 1.00 0.00 C ATOM 915 O ALA A 61 5.716 -1.836 -0.289 1.00 0.00 O ATOM 916 CB ALA A 61 3.702 -1.174 -2.052 1.00 0.00 C ATOM 0 H ALA A 61 1.890 -1.515 -0.363 1.00 0.00 H new ATOM 0 HA ALA A 61 3.761 -3.293 -1.749 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.708 -1.124 -2.468 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.977 -1.241 -2.863 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.507 -0.277 -1.464 1.00 0.00 H new ATOM 922 N SER A 62 4.314 -2.999 1.016 1.00 0.00 N ATOM 923 CA SER A 62 5.200 -3.039 2.145 1.00 0.00 C ATOM 924 C SER A 62 6.606 -3.584 1.759 1.00 0.00 C ATOM 925 O SER A 62 7.627 -3.002 2.131 1.00 0.00 O ATOM 926 CB SER A 62 4.565 -3.852 3.267 1.00 0.00 C ATOM 927 OG SER A 62 3.286 -3.329 3.607 1.00 0.00 O ATOM 0 H SER A 62 3.438 -3.504 1.155 1.00 0.00 H new ATOM 0 HA SER A 62 5.355 -2.020 2.500 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.467 -4.893 2.958 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.213 -3.839 4.143 1.00 0.00 H new ATOM 0 HG SER A 62 2.624 -3.629 2.949 1.00 0.00 H new ATOM 933 N ARG A 63 6.659 -4.661 0.974 1.00 0.00 N ATOM 934 CA ARG A 63 7.953 -5.208 0.559 1.00 0.00 C ATOM 935 C ARG A 63 8.660 -4.281 -0.439 1.00 0.00 C ATOM 936 O ARG A 63 9.893 -4.184 -0.451 1.00 0.00 O ATOM 937 CB ARG A 63 7.810 -6.605 -0.043 1.00 0.00 C ATOM 938 CG ARG A 63 9.142 -7.200 -0.483 1.00 0.00 C ATOM 939 CD ARG A 63 8.988 -8.545 -1.145 1.00 0.00 C ATOM 940 NE ARG A 63 8.412 -9.545 -0.252 1.00 0.00 N ATOM 941 CZ ARG A 63 8.754 -10.836 -0.252 1.00 0.00 C ATOM 942 NH1 ARG A 63 9.714 -11.273 -1.058 1.00 0.00 N ATOM 943 NH2 ARG A 63 8.144 -11.678 0.555 1.00 0.00 N ATOM 0 H ARG A 63 5.844 -5.162 0.620 1.00 0.00 H new ATOM 0 HA ARG A 63 8.563 -5.283 1.459 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.347 -7.266 0.690 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.138 -6.559 -0.900 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.631 -6.514 -1.174 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.795 -7.299 0.384 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.355 -8.442 -2.026 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.962 -8.890 -1.491 1.00 0.00 H new ATOM 0 HE ARG A 63 7.703 -9.239 0.414 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.193 -10.622 -1.680 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.972 -12.260 -1.055 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.410 -11.344 1.180 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.405 -12.664 0.555 1.00 0.00 H new ATOM 957 N ALA A 64 7.880 -3.560 -1.229 1.00 0.00 N ATOM 958 CA ALA A 64 8.431 -2.722 -2.279 1.00 0.00 C ATOM 959 C ALA A 64 9.073 -1.537 -1.654 1.00 0.00 C ATOM 960 O ALA A 64 10.065 -1.045 -2.121 1.00 0.00 O ATOM 961 CB ALA A 64 7.358 -2.295 -3.262 1.00 0.00 C ATOM 0 H ALA A 64 6.862 -3.539 -1.162 1.00 0.00 H new ATOM 0 HA ALA A 64 9.173 -3.291 -2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.802 -1.669 -4.036 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.913 -3.178 -3.721 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.587 -1.731 -2.737 1.00 0.00 H new ATOM 967 N LEU A 65 8.488 -1.106 -0.573 1.00 0.00 N ATOM 968 CA LEU A 65 8.997 -0.032 0.223 1.00 0.00 C ATOM 969 C LEU A 65 10.364 -0.337 0.782 1.00 0.00 C ATOM 970 O LEU A 65 11.273 0.478 0.682 1.00 0.00 O ATOM 971 CB LEU A 65 8.022 0.280 1.339 1.00 0.00 C ATOM 972 CG LEU A 65 6.749 1.015 0.948 1.00 0.00 C ATOM 973 CD1 LEU A 65 5.850 1.167 2.140 1.00 0.00 C ATOM 974 CD2 LEU A 65 7.098 2.375 0.429 1.00 0.00 C ATOM 0 H LEU A 65 7.621 -1.504 -0.214 1.00 0.00 H new ATOM 0 HA LEU A 65 9.106 0.841 -0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.740 -0.658 1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.542 0.876 2.089 1.00 0.00 H new ATOM 0 HG LEU A 65 6.234 0.440 0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.943 1.695 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.588 0.182 2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.366 1.735 2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.186 2.902 0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.619 2.938 1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.743 2.277 -0.444 1.00 0.00 H new ATOM 986 N GLY A 66 10.521 -1.517 1.327 1.00 0.00 N ATOM 987 CA GLY A 66 11.762 -1.859 1.972 1.00 0.00 C ATOM 988 C GLY A 66 12.904 -2.090 1.027 1.00 0.00 C ATOM 989 O GLY A 66 14.070 -1.971 1.404 1.00 0.00 O ATOM 0 H GLY A 66 9.812 -2.250 1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.032 -1.059 2.662 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.612 -2.758 2.569 1.00 0.00 H new ATOM 993 N LYS A 67 12.596 -2.424 -0.185 1.00 0.00 N ATOM 994 CA LYS A 67 13.627 -2.665 -1.157 1.00 0.00 C ATOM 995 C LYS A 67 13.739 -1.496 -2.086 1.00 0.00 C ATOM 996 O LYS A 67 14.647 -1.441 -2.910 1.00 0.00 O ATOM 997 CB LYS A 67 13.290 -3.916 -1.953 1.00 0.00 C ATOM 998 CG LYS A 67 12.977 -5.089 -1.064 1.00 0.00 C ATOM 999 CD LYS A 67 12.723 -6.374 -1.828 1.00 0.00 C ATOM 1000 CE LYS A 67 13.985 -6.878 -2.476 1.00 0.00 C ATOM 1001 NZ LYS A 67 13.777 -8.151 -3.192 1.00 0.00 N ATOM 0 H LYS A 67 11.643 -2.537 -0.530 1.00 0.00 H new ATOM 0 HA LYS A 67 14.578 -2.803 -0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.436 -3.714 -2.599 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.128 -4.168 -2.602 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.806 -5.244 -0.374 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.100 -4.854 -0.461 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.331 -7.132 -1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.962 -6.203 -2.590 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.357 -6.128 -3.174 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.753 -7.013 -1.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.696 -8.536 -3.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.305 -8.831 -2.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.183 -7.985 -4.029 1.00 0.00 H new ATOM 1015 N MET A 68 12.803 -0.557 -1.939 1.00 0.00 N ATOM 1016 CA MET A 68 12.600 0.586 -2.841 1.00 0.00 C ATOM 1017 C MET A 68 12.022 0.080 -4.169 1.00 0.00 C ATOM 1018 O MET A 68 10.986 0.548 -4.606 1.00 0.00 O ATOM 1019 CB MET A 68 13.857 1.465 -3.013 1.00 0.00 C ATOM 1020 CG MET A 68 14.350 2.063 -1.699 1.00 0.00 C ATOM 1021 SD MET A 68 15.764 3.181 -1.885 1.00 0.00 S ATOM 1022 CE MET A 68 15.057 4.474 -2.910 1.00 0.00 C ATOM 0 H MET A 68 12.141 -0.569 -1.163 1.00 0.00 H new ATOM 0 HA MET A 68 11.877 1.262 -2.384 1.00 0.00 H new ATOM 0 HB2 MET A 68 14.654 0.867 -3.455 1.00 0.00 H new ATOM 0 HB3 MET A 68 13.637 2.271 -3.713 1.00 0.00 H new ATOM 0 HG2 MET A 68 13.530 2.605 -1.228 1.00 0.00 H new ATOM 0 HG3 MET A 68 14.626 1.253 -1.024 1.00 0.00 H new ATOM 0 HE1 MET A 68 15.678 5.368 -2.848 1.00 0.00 H new ATOM 0 HE2 MET A 68 15.012 4.134 -3.945 1.00 0.00 H new ATOM 0 HE3 MET A 68 14.051 4.706 -2.560 1.00 0.00 H new ATOM 1032 N SER A 69 12.702 -0.911 -4.744 1.00 0.00 N ATOM 1033 CA SER A 69 12.275 -1.710 -5.895 1.00 0.00 C ATOM 1034 C SER A 69 11.624 -0.953 -7.067 1.00 0.00 C ATOM 1035 O SER A 69 12.297 -0.552 -8.031 1.00 0.00 O ATOM 1036 CB SER A 69 11.328 -2.790 -5.406 1.00 0.00 C ATOM 1037 OG SER A 69 10.941 -3.650 -6.445 1.00 0.00 O ATOM 0 H SER A 69 13.619 -1.195 -4.400 1.00 0.00 H new ATOM 0 HA SER A 69 13.197 -2.107 -6.319 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.810 -3.367 -4.617 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.444 -2.327 -4.968 1.00 0.00 H new ATOM 0 HG SER A 69 11.456 -4.482 -6.390 1.00 0.00 H new ATOM 1043 N LYS A 70 10.301 -0.772 -6.942 1.00 0.00 N ATOM 1044 CA LYS A 70 9.407 -0.226 -7.944 1.00 0.00 C ATOM 1045 C LYS A 70 9.191 -1.189 -9.105 1.00 0.00 C ATOM 1046 O LYS A 70 8.729 -0.803 -10.168 1.00 0.00 O ATOM 1047 CB LYS A 70 9.779 1.163 -8.415 1.00 0.00 C ATOM 1048 CG LYS A 70 9.918 2.157 -7.295 1.00 0.00 C ATOM 1049 CD LYS A 70 11.370 2.447 -7.035 1.00 0.00 C ATOM 1050 CE LYS A 70 11.563 3.615 -6.075 1.00 0.00 C ATOM 1051 NZ LYS A 70 11.115 4.899 -6.658 1.00 0.00 N ATOM 0 H LYS A 70 9.809 -1.021 -6.084 1.00 0.00 H new ATOM 0 HA LYS A 70 8.450 -0.106 -7.437 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.719 1.112 -8.965 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.020 1.517 -9.113 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.396 3.079 -7.550 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.450 1.766 -6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.848 1.558 -6.623 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.869 2.669 -7.979 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.009 3.423 -5.156 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.616 3.689 -5.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.555 5.423 -5.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.944 5.464 -6.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.530 4.714 -7.498 1.00 0.00 H new ATOM 1065 N ASN A 71 9.551 -2.428 -8.910 1.00 0.00 N ATOM 1066 CA ASN A 71 9.145 -3.471 -9.840 1.00 0.00 C ATOM 1067 C ASN A 71 8.016 -4.271 -9.208 1.00 0.00 C ATOM 1068 O ASN A 71 8.029 -4.497 -7.999 1.00 0.00 O ATOM 1069 CB ASN A 71 10.284 -4.412 -10.294 1.00 0.00 C ATOM 1070 CG ASN A 71 10.969 -5.142 -9.165 1.00 0.00 C ATOM 1071 OD1 ASN A 71 10.479 -6.141 -8.687 1.00 0.00 O ATOM 1072 ND2 ASN A 71 12.148 -4.729 -8.821 1.00 0.00 N ATOM 0 H ASN A 71 10.119 -2.748 -8.126 1.00 0.00 H new ATOM 0 HA ASN A 71 8.817 -2.970 -10.751 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.879 -5.144 -10.992 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.027 -3.829 -10.839 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.689 -5.249 -8.130 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.535 -3.884 -9.241 1.00 0.00 H new ATOM 1079 N GLU A 72 7.062 -4.711 -10.019 1.00 0.00 N ATOM 1080 CA GLU A 72 5.876 -5.469 -9.547 1.00 0.00 C ATOM 1081 C GLU A 72 6.243 -6.761 -8.808 1.00 0.00 C ATOM 1082 O GLU A 72 5.440 -7.288 -8.027 1.00 0.00 O ATOM 1083 CB GLU A 72 4.968 -5.795 -10.727 1.00 0.00 C ATOM 1084 CG GLU A 72 4.241 -4.603 -11.319 1.00 0.00 C ATOM 1085 CD GLU A 72 3.125 -4.103 -10.428 1.00 0.00 C ATOM 1086 OE1 GLU A 72 3.359 -3.262 -9.556 1.00 0.00 O ATOM 1087 OE2 GLU A 72 1.972 -4.555 -10.611 1.00 0.00 O ATOM 0 H GLU A 72 7.075 -4.560 -11.028 1.00 0.00 H new ATOM 0 HA GLU A 72 5.358 -4.829 -8.833 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.566 -6.263 -11.509 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.230 -6.531 -10.407 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.953 -3.796 -11.491 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.830 -4.878 -12.290 1.00 0.00 H new ATOM 1094 N GLU A 73 7.446 -7.249 -9.050 1.00 0.00 N ATOM 1095 CA GLU A 73 7.938 -8.486 -8.455 1.00 0.00 C ATOM 1096 C GLU A 73 8.063 -8.353 -6.941 1.00 0.00 C ATOM 1097 O GLU A 73 7.723 -9.275 -6.199 1.00 0.00 O ATOM 1098 CB GLU A 73 9.310 -8.812 -9.024 1.00 0.00 C ATOM 1099 CG GLU A 73 9.359 -8.934 -10.530 1.00 0.00 C ATOM 1100 CD GLU A 73 8.609 -10.139 -11.037 1.00 0.00 C ATOM 1101 OE1 GLU A 73 9.197 -11.233 -11.100 1.00 0.00 O ATOM 1102 OE2 GLU A 73 7.406 -10.015 -11.379 1.00 0.00 O ATOM 0 H GLU A 73 8.118 -6.797 -9.670 1.00 0.00 H new ATOM 0 HA GLU A 73 7.227 -9.279 -8.687 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.010 -8.037 -8.713 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.656 -9.748 -8.586 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.939 -8.034 -10.978 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.398 -8.995 -10.853 1.00 0.00 H new ATOM 1109 N ASP A 74 8.543 -7.203 -6.485 1.00 0.00 N ATOM 1110 CA ASP A 74 8.772 -6.993 -5.051 1.00 0.00 C ATOM 1111 C ASP A 74 7.586 -6.358 -4.379 1.00 0.00 C ATOM 1112 O ASP A 74 7.584 -6.161 -3.164 1.00 0.00 O ATOM 1113 CB ASP A 74 10.016 -6.140 -4.774 1.00 0.00 C ATOM 1114 CG ASP A 74 11.302 -6.763 -5.246 1.00 0.00 C ATOM 1115 OD1 ASP A 74 11.670 -7.840 -4.734 1.00 0.00 O ATOM 1116 OD2 ASP A 74 11.994 -6.170 -6.106 1.00 0.00 O ATOM 0 H ASP A 74 8.781 -6.406 -7.075 1.00 0.00 H new ATOM 0 HA ASP A 74 8.931 -7.988 -4.634 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.895 -5.171 -5.258 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.086 -5.955 -3.702 1.00 0.00 H new ATOM 1121 N VAL A 75 6.588 -6.027 -5.144 1.00 0.00 N ATOM 1122 CA VAL A 75 5.413 -5.418 -4.583 1.00 0.00 C ATOM 1123 C VAL A 75 4.543 -6.536 -3.998 1.00 0.00 C ATOM 1124 O VAL A 75 4.019 -7.380 -4.730 1.00 0.00 O ATOM 1125 CB VAL A 75 4.638 -4.589 -5.637 1.00 0.00 C ATOM 1126 CG1 VAL A 75 3.582 -3.754 -4.986 1.00 0.00 C ATOM 1127 CG2 VAL A 75 5.569 -3.694 -6.410 1.00 0.00 C ATOM 0 H VAL A 75 6.561 -6.167 -6.154 1.00 0.00 H new ATOM 0 HA VAL A 75 5.698 -4.716 -3.800 1.00 0.00 H new ATOM 0 HB VAL A 75 4.168 -5.293 -6.323 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.051 -3.181 -5.746 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.878 -4.401 -4.462 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.046 -3.071 -4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.999 -3.123 -7.143 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.068 -3.009 -5.724 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.315 -4.301 -6.923 1.00 0.00 H new ATOM 1137 N SER A 76 4.392 -6.523 -2.687 1.00 0.00 N ATOM 1138 CA SER A 76 3.790 -7.617 -1.951 1.00 0.00 C ATOM 1139 C SER A 76 3.660 -7.201 -0.482 1.00 0.00 C ATOM 1140 O SER A 76 4.489 -6.409 0.015 1.00 0.00 O ATOM 1141 CB SER A 76 4.716 -8.861 -2.046 1.00 0.00 C ATOM 1142 OG SER A 76 4.124 -10.016 -1.450 1.00 0.00 O ATOM 0 H SER A 76 4.687 -5.744 -2.098 1.00 0.00 H new ATOM 0 HA SER A 76 2.810 -7.856 -2.363 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.939 -9.067 -3.093 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.665 -8.645 -1.554 1.00 0.00 H new ATOM 0 HG SER A 76 4.736 -10.777 -1.532 1.00 0.00 H new ATOM 1148 N PRO A 77 2.622 -7.694 0.226 1.00 0.00 N ATOM 1149 CA PRO A 77 2.424 -7.395 1.650 1.00 0.00 C ATOM 1150 C PRO A 77 3.428 -8.126 2.553 1.00 0.00 C ATOM 1151 O PRO A 77 3.722 -7.685 3.663 1.00 0.00 O ATOM 1152 CB PRO A 77 1.002 -7.909 1.927 1.00 0.00 C ATOM 1153 CG PRO A 77 0.770 -8.968 0.906 1.00 0.00 C ATOM 1154 CD PRO A 77 1.533 -8.543 -0.316 1.00 0.00 C ATOM 0 HA PRO A 77 2.567 -6.335 1.861 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.917 -8.309 2.937 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.268 -7.108 1.839 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.117 -9.937 1.264 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.293 -9.071 0.686 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.928 -9.401 -0.860 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.901 -7.989 -1.010 1.00 0.00 H new ATOM 1162 N SER A 78 3.952 -9.227 2.070 1.00 0.00 N ATOM 1163 CA SER A 78 4.856 -10.043 2.845 1.00 0.00 C ATOM 1164 C SER A 78 6.239 -9.460 2.926 1.00 0.00 C ATOM 1165 O SER A 78 6.796 -8.988 1.935 1.00 0.00 O ATOM 1166 CB SER A 78 4.898 -11.431 2.297 1.00 0.00 C ATOM 1167 OG SER A 78 3.614 -12.034 2.342 1.00 0.00 O ATOM 0 H SER A 78 3.765 -9.582 1.132 1.00 0.00 H new ATOM 0 HA SER A 78 4.470 -10.071 3.864 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.258 -11.409 1.268 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.606 -12.031 2.869 1.00 0.00 H new ATOM 0 HG SER A 78 3.666 -12.942 1.976 1.00 0.00 H new ATOM 1173 N LEU A 79 6.796 -9.532 4.113 1.00 0.00 N ATOM 1174 CA LEU A 79 8.069 -8.942 4.413 1.00 0.00 C ATOM 1175 C LEU A 79 9.119 -10.006 4.631 1.00 0.00 C ATOM 1176 O LEU A 79 10.252 -9.713 4.999 1.00 0.00 O ATOM 1177 CB LEU A 79 7.945 -8.080 5.663 1.00 0.00 C ATOM 1178 CG LEU A 79 6.831 -7.043 5.642 1.00 0.00 C ATOM 1179 CD1 LEU A 79 6.940 -6.085 6.822 1.00 0.00 C ATOM 1180 CD2 LEU A 79 6.803 -6.317 4.318 1.00 0.00 C ATOM 0 H LEU A 79 6.367 -10.010 4.905 1.00 0.00 H new ATOM 0 HA LEU A 79 8.375 -8.327 3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.790 -8.735 6.520 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.892 -7.565 5.823 1.00 0.00 H new ATOM 0 HG LEU A 79 5.879 -7.562 5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.129 -5.358 6.776 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.872 -6.646 7.754 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.897 -5.565 6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.000 -5.580 4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.756 -5.813 4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.633 -7.033 3.514 1.00 0.00 H new ATOM 1192 N GLU A 80 8.738 -11.229 4.403 1.00 0.00 N ATOM 1193 CA GLU A 80 9.630 -12.336 4.570 1.00 0.00 C ATOM 1194 C GLU A 80 10.743 -12.273 3.544 1.00 0.00 C ATOM 1195 O GLU A 80 10.512 -12.008 2.369 1.00 0.00 O ATOM 1196 CB GLU A 80 8.842 -13.654 4.523 1.00 0.00 C ATOM 1197 CG GLU A 80 8.104 -13.924 3.222 1.00 0.00 C ATOM 1198 CD GLU A 80 8.929 -14.644 2.176 1.00 0.00 C ATOM 1199 OE1 GLU A 80 9.393 -15.763 2.450 1.00 0.00 O ATOM 1200 OE2 GLU A 80 9.074 -14.126 1.050 1.00 0.00 O ATOM 0 H GLU A 80 7.800 -11.486 4.096 1.00 0.00 H new ATOM 0 HA GLU A 80 10.107 -12.285 5.549 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.532 -14.477 4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 80 8.119 -13.655 5.339 1.00 0.00 H new ATOM 0 HG2 GLU A 80 7.215 -14.517 3.438 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.762 -12.975 2.808 1.00 0.00 H new ATOM 1207 N GLY A 81 11.934 -12.410 4.002 1.00 0.00 N ATOM 1208 CA GLY A 81 13.043 -12.424 3.124 1.00 0.00 C ATOM 1209 C GLY A 81 13.876 -11.203 3.337 1.00 0.00 C ATOM 1210 O GLY A 81 15.088 -11.202 3.121 1.00 0.00 O ATOM 0 H GLY A 81 12.165 -12.515 4.990 1.00 0.00 H new ATOM 0 HA2 GLY A 81 13.642 -13.318 3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.699 -12.464 2.090 1.00 0.00 H new ATOM 1214 N LEU A 82 13.215 -10.174 3.786 1.00 0.00 N ATOM 1215 CA LEU A 82 13.798 -8.907 4.042 1.00 0.00 C ATOM 1216 C LEU A 82 14.646 -8.927 5.289 1.00 0.00 C ATOM 1217 O LEU A 82 14.294 -9.548 6.296 1.00 0.00 O ATOM 1218 CB LEU A 82 12.693 -7.890 4.201 1.00 0.00 C ATOM 1219 CG LEU A 82 11.820 -7.641 2.977 1.00 0.00 C ATOM 1220 CD1 LEU A 82 10.690 -6.720 3.337 1.00 0.00 C ATOM 1221 CD2 LEU A 82 12.629 -7.006 1.897 1.00 0.00 C ATOM 0 H LEU A 82 12.216 -10.206 3.989 1.00 0.00 H new ATOM 0 HA LEU A 82 14.445 -8.647 3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.049 -8.210 5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 82 13.141 -6.942 4.499 1.00 0.00 H new ATOM 0 HG LEU A 82 11.425 -8.595 2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.069 -6.545 2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.087 -7.174 4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.093 -5.771 3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 82 11.999 -6.831 1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.029 -6.056 2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.452 -7.666 1.623 1.00 0.00 H new ATOM 1233 N THR A 83 15.753 -8.272 5.204 1.00 0.00 N ATOM 1234 CA THR A 83 16.644 -8.109 6.309 1.00 0.00 C ATOM 1235 C THR A 83 16.358 -6.771 6.989 1.00 0.00 C ATOM 1236 O THR A 83 15.460 -6.032 6.546 1.00 0.00 O ATOM 1237 CB THR A 83 18.113 -8.205 5.842 1.00 0.00 C ATOM 1238 OG1 THR A 83 18.357 -7.273 4.763 1.00 0.00 O ATOM 1239 CG2 THR A 83 18.418 -9.617 5.368 1.00 0.00 C ATOM 0 H THR A 83 16.074 -7.823 4.346 1.00 0.00 H new ATOM 0 HA THR A 83 16.483 -8.910 7.031 1.00 0.00 H new ATOM 0 HB THR A 83 18.761 -7.958 6.683 1.00 0.00 H new ATOM 0 HG1 THR A 83 17.977 -7.628 3.932 1.00 0.00 H new ATOM 0 HG21 THR A 83 19.456 -9.675 5.041 1.00 0.00 H new ATOM 0 HG22 THR A 83 18.256 -10.318 6.186 1.00 0.00 H new ATOM 0 HG23 THR A 83 17.761 -9.872 4.537 1.00 0.00 H new ATOM 1247 N GLU A 84 17.100 -6.439 8.027 1.00 0.00 N ATOM 1248 CA GLU A 84 16.835 -5.228 8.778 1.00 0.00 C ATOM 1249 C GLU A 84 16.992 -3.959 7.961 1.00 0.00 C ATOM 1250 O GLU A 84 16.184 -3.069 8.081 1.00 0.00 O ATOM 1251 CB GLU A 84 17.617 -5.164 10.078 1.00 0.00 C ATOM 1252 CG GLU A 84 17.208 -6.237 11.063 1.00 0.00 C ATOM 1253 CD GLU A 84 17.930 -6.139 12.369 1.00 0.00 C ATOM 1254 OE1 GLU A 84 17.512 -5.339 13.232 1.00 0.00 O ATOM 1255 OE2 GLU A 84 18.921 -6.866 12.566 1.00 0.00 O ATOM 0 H GLU A 84 17.888 -6.989 8.369 1.00 0.00 H new ATOM 0 HA GLU A 84 15.779 -5.285 9.042 1.00 0.00 H new ATOM 0 HB2 GLU A 84 18.681 -5.262 9.862 1.00 0.00 H new ATOM 0 HB3 GLU A 84 17.474 -4.185 10.535 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.135 -6.168 11.242 1.00 0.00 H new ATOM 0 HG3 GLU A 84 17.396 -7.217 10.623 1.00 0.00 H new ATOM 1262 N LYS A 85 17.993 -3.893 7.108 1.00 0.00 N ATOM 1263 CA LYS A 85 18.221 -2.699 6.264 1.00 0.00 C ATOM 1264 C LYS A 85 16.986 -2.473 5.364 1.00 0.00 C ATOM 1265 O LYS A 85 16.557 -1.342 5.108 1.00 0.00 O ATOM 1266 CB LYS A 85 19.456 -2.925 5.365 1.00 0.00 C ATOM 1267 CG LYS A 85 19.227 -4.042 4.377 1.00 0.00 C ATOM 1268 CD LYS A 85 20.383 -4.330 3.459 1.00 0.00 C ATOM 1269 CE LYS A 85 21.616 -4.826 4.206 1.00 0.00 C ATOM 1270 NZ LYS A 85 22.719 -5.147 3.277 1.00 0.00 N ATOM 0 H LYS A 85 18.671 -4.642 6.968 1.00 0.00 H new ATOM 0 HA LYS A 85 18.386 -1.832 6.903 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.689 -2.006 4.828 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.321 -3.159 5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.987 -4.951 4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 85 18.355 -3.797 3.771 1.00 0.00 H new ATOM 0 HD2 LYS A 85 20.082 -5.078 2.725 1.00 0.00 H new ATOM 0 HD3 LYS A 85 20.637 -3.426 2.906 1.00 0.00 H new ATOM 0 HE2 LYS A 85 21.945 -4.065 4.914 1.00 0.00 H new ATOM 0 HE3 LYS A 85 21.359 -5.712 4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 23.542 -5.481 3.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 22.412 -5.891 2.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.980 -4.295 2.741 1.00 0.00 H new ATOM 1284 N GLU A 86 16.412 -3.577 4.947 1.00 0.00 N ATOM 1285 CA GLU A 86 15.334 -3.611 4.044 1.00 0.00 C ATOM 1286 C GLU A 86 14.073 -3.253 4.748 1.00 0.00 C ATOM 1287 O GLU A 86 13.366 -2.335 4.348 1.00 0.00 O ATOM 1288 CB GLU A 86 15.272 -5.002 3.458 1.00 0.00 C ATOM 1289 CG GLU A 86 16.475 -5.335 2.597 1.00 0.00 C ATOM 1290 CD GLU A 86 16.441 -6.708 2.017 1.00 0.00 C ATOM 1291 OE1 GLU A 86 16.657 -7.669 2.767 1.00 0.00 O ATOM 1292 OE2 GLU A 86 16.216 -6.846 0.800 1.00 0.00 O ATOM 0 H GLU A 86 16.711 -4.503 5.252 1.00 0.00 H new ATOM 0 HA GLU A 86 15.469 -2.886 3.241 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.199 -5.729 4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.366 -5.099 2.860 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.541 -4.610 1.786 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.379 -5.226 3.196 1.00 0.00 H new ATOM 1299 N ILE A 87 13.814 -3.930 5.829 1.00 0.00 N ATOM 1300 CA ILE A 87 12.657 -3.647 6.598 1.00 0.00 C ATOM 1301 C ILE A 87 12.710 -2.221 7.143 1.00 0.00 C ATOM 1302 O ILE A 87 11.728 -1.533 7.091 1.00 0.00 O ATOM 1303 CB ILE A 87 12.426 -4.657 7.726 1.00 0.00 C ATOM 1304 CG1 ILE A 87 12.133 -6.043 7.166 1.00 0.00 C ATOM 1305 CG2 ILE A 87 11.285 -4.211 8.605 1.00 0.00 C ATOM 1306 CD1 ILE A 87 11.857 -7.070 8.248 1.00 0.00 C ATOM 0 H ILE A 87 14.397 -4.684 6.192 1.00 0.00 H new ATOM 0 HA ILE A 87 11.803 -3.738 5.926 1.00 0.00 H new ATOM 0 HB ILE A 87 13.338 -4.709 8.321 1.00 0.00 H new ATOM 0 HG12 ILE A 87 11.273 -5.986 6.499 1.00 0.00 H new ATOM 0 HG13 ILE A 87 12.981 -6.374 6.566 1.00 0.00 H new ATOM 0 HG21 ILE A 87 11.133 -4.939 9.402 1.00 0.00 H new ATOM 0 HG22 ILE A 87 11.520 -3.240 9.041 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.376 -4.131 8.009 1.00 0.00 H new ATOM 0 HD11 ILE A 87 11.655 -8.038 7.788 1.00 0.00 H new ATOM 0 HD12 ILE A 87 12.726 -7.153 8.901 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.992 -6.759 8.833 1.00 0.00 H new ATOM 1318 N ASN A 88 13.889 -1.768 7.602 1.00 0.00 N ATOM 1319 CA ASN A 88 14.033 -0.379 8.122 1.00 0.00 C ATOM 1320 C ASN A 88 13.661 0.649 7.109 1.00 0.00 C ATOM 1321 O ASN A 88 13.077 1.678 7.451 1.00 0.00 O ATOM 1322 CB ASN A 88 15.426 -0.048 8.668 1.00 0.00 C ATOM 1323 CG ASN A 88 15.636 -0.462 10.120 1.00 0.00 C ATOM 1324 OD1 ASN A 88 15.349 0.301 11.045 1.00 0.00 O ATOM 1325 ND2 ASN A 88 16.142 -1.632 10.334 1.00 0.00 N ATOM 0 H ASN A 88 14.745 -2.322 7.628 1.00 0.00 H new ATOM 0 HA ASN A 88 13.334 -0.346 8.957 1.00 0.00 H new ATOM 0 HB2 ASN A 88 16.175 -0.541 8.048 1.00 0.00 H new ATOM 0 HB3 ASN A 88 15.595 1.025 8.579 1.00 0.00 H new ATOM 0 HD21 ASN A 88 16.314 -1.946 11.289 1.00 0.00 H new ATOM 0 HD22 ASN A 88 16.369 -2.241 9.548 1.00 0.00 H new ATOM 1332 N THR A 89 13.984 0.382 5.871 1.00 0.00 N ATOM 1333 CA THR A 89 13.655 1.279 4.806 1.00 0.00 C ATOM 1334 C THR A 89 12.118 1.461 4.708 1.00 0.00 C ATOM 1335 O THR A 89 11.613 2.582 4.711 1.00 0.00 O ATOM 1336 CB THR A 89 14.238 0.744 3.482 1.00 0.00 C ATOM 1337 OG1 THR A 89 15.677 0.701 3.560 1.00 0.00 O ATOM 1338 CG2 THR A 89 13.823 1.602 2.331 1.00 0.00 C ATOM 0 H THR A 89 14.480 -0.460 5.578 1.00 0.00 H new ATOM 0 HA THR A 89 14.092 2.257 5.008 1.00 0.00 H new ATOM 0 HB THR A 89 13.851 -0.262 3.321 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.948 0.047 4.237 1.00 0.00 H new ATOM 0 HG21 THR A 89 14.247 1.204 1.409 1.00 0.00 H new ATOM 0 HG22 THR A 89 12.736 1.610 2.257 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.184 2.619 2.487 1.00 0.00 H new ATOM 1346 N LEU A 90 11.400 0.357 4.723 1.00 0.00 N ATOM 1347 CA LEU A 90 9.938 0.360 4.685 1.00 0.00 C ATOM 1348 C LEU A 90 9.359 0.840 6.005 1.00 0.00 C ATOM 1349 O LEU A 90 8.376 1.551 6.034 1.00 0.00 O ATOM 1350 CB LEU A 90 9.451 -1.046 4.385 1.00 0.00 C ATOM 1351 CG LEU A 90 8.216 -1.528 5.139 1.00 0.00 C ATOM 1352 CD1 LEU A 90 6.924 -0.978 4.581 1.00 0.00 C ATOM 1353 CD2 LEU A 90 8.208 -3.020 5.286 1.00 0.00 C ATOM 0 H LEU A 90 11.809 -0.577 4.762 1.00 0.00 H new ATOM 0 HA LEU A 90 9.605 1.045 3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.243 -1.111 3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 90 10.267 -1.738 4.594 1.00 0.00 H new ATOM 0 HG LEU A 90 8.283 -1.114 6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.085 -1.360 5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.938 0.111 4.636 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.816 -1.288 3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.314 -3.327 5.828 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.211 -3.483 4.299 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.093 -3.336 5.838 1.00 0.00 H new ATOM 1365 N ASN A 91 9.985 0.423 7.077 1.00 0.00 N ATOM 1366 CA ASN A 91 9.596 0.752 8.445 1.00 0.00 C ATOM 1367 C ASN A 91 9.551 2.280 8.587 1.00 0.00 C ATOM 1368 O ASN A 91 8.719 2.838 9.301 1.00 0.00 O ATOM 1369 CB ASN A 91 10.647 0.157 9.390 1.00 0.00 C ATOM 1370 CG ASN A 91 10.161 -0.126 10.791 1.00 0.00 C ATOM 1371 OD1 ASN A 91 10.208 0.731 11.669 1.00 0.00 O ATOM 1372 ND2 ASN A 91 9.719 -1.360 11.005 1.00 0.00 N ATOM 0 H ASN A 91 10.809 -0.176 7.030 1.00 0.00 H new ATOM 0 HA ASN A 91 8.614 0.346 8.688 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.019 -0.771 8.957 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.492 0.843 9.447 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.398 -1.633 11.934 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.701 -2.035 10.240 1.00 0.00 H new ATOM 1379 N ASP A 92 10.461 2.932 7.890 1.00 0.00 N ATOM 1380 CA ASP A 92 10.496 4.378 7.796 1.00 0.00 C ATOM 1381 C ASP A 92 9.403 4.879 6.838 1.00 0.00 C ATOM 1382 O ASP A 92 8.660 5.803 7.161 1.00 0.00 O ATOM 1383 CB ASP A 92 11.876 4.839 7.337 1.00 0.00 C ATOM 1384 CG ASP A 92 11.957 6.324 7.123 1.00 0.00 C ATOM 1385 OD1 ASP A 92 12.033 7.078 8.121 1.00 0.00 O ATOM 1386 OD2 ASP A 92 11.973 6.755 5.951 1.00 0.00 O ATOM 0 H ASP A 92 11.204 2.468 7.368 1.00 0.00 H new ATOM 0 HA ASP A 92 10.302 4.802 8.781 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.617 4.543 8.079 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.133 4.329 6.409 1.00 0.00 H new ATOM 1391 N TRP A 93 9.295 4.221 5.671 1.00 0.00 N ATOM 1392 CA TRP A 93 8.282 4.537 4.652 1.00 0.00 C ATOM 1393 C TRP A 93 6.872 4.539 5.173 1.00 0.00 C ATOM 1394 O TRP A 93 6.068 5.374 4.754 1.00 0.00 O ATOM 1395 CB TRP A 93 8.379 3.616 3.456 1.00 0.00 C ATOM 1396 CG TRP A 93 9.445 3.970 2.453 1.00 0.00 C ATOM 1397 CD1 TRP A 93 10.506 3.208 2.085 1.00 0.00 C ATOM 1398 CD2 TRP A 93 9.541 5.180 1.684 1.00 0.00 C ATOM 1399 NE1 TRP A 93 11.257 3.854 1.139 1.00 0.00 N ATOM 1400 CE2 TRP A 93 10.687 5.068 0.874 1.00 0.00 C ATOM 1401 CE3 TRP A 93 8.769 6.342 1.602 1.00 0.00 C ATOM 1402 CZ2 TRP A 93 11.080 6.072 -0.005 1.00 0.00 C ATOM 1403 CZ3 TRP A 93 9.159 7.338 0.729 1.00 0.00 C ATOM 1404 CH2 TRP A 93 10.305 7.198 -0.064 1.00 0.00 C ATOM 0 H TRP A 93 9.911 3.452 5.408 1.00 0.00 H new ATOM 0 HA TRP A 93 8.512 5.557 4.344 1.00 0.00 H new ATOM 0 HB2 TRP A 93 8.562 2.603 3.813 1.00 0.00 H new ATOM 0 HB3 TRP A 93 7.415 3.605 2.948 1.00 0.00 H new ATOM 0 HD1 TRP A 93 10.727 2.229 2.483 1.00 0.00 H new ATOM 0 HE1 TRP A 93 12.104 3.489 0.703 1.00 0.00 H new ATOM 0 HE3 TRP A 93 7.884 6.459 2.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 11.963 5.967 -0.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 8.570 8.241 0.656 1.00 0.00 H new ATOM 0 HH2 TRP A 93 10.583 7.996 -0.737 1.00 0.00 H new ATOM 1415 N GLU A 94 6.567 3.616 6.073 1.00 0.00 N ATOM 1416 CA GLU A 94 5.257 3.540 6.706 1.00 0.00 C ATOM 1417 C GLU A 94 4.860 4.913 7.203 1.00 0.00 C ATOM 1418 O GLU A 94 3.885 5.481 6.774 1.00 0.00 O ATOM 1419 CB GLU A 94 5.308 2.590 7.895 1.00 0.00 C ATOM 1420 CG GLU A 94 5.639 1.152 7.562 1.00 0.00 C ATOM 1421 CD GLU A 94 5.687 0.302 8.801 1.00 0.00 C ATOM 1422 OE1 GLU A 94 4.635 0.133 9.437 1.00 0.00 O ATOM 1423 OE2 GLU A 94 6.762 -0.200 9.172 1.00 0.00 O ATOM 0 H GLU A 94 7.220 2.898 6.386 1.00 0.00 H new ATOM 0 HA GLU A 94 4.533 3.177 5.977 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.049 2.961 8.603 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.343 2.615 8.401 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.893 0.755 6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.600 1.107 7.050 1.00 0.00 H new ATOM 1430 N THR A 95 5.702 5.432 8.036 1.00 0.00 N ATOM 1431 CA THR A 95 5.577 6.709 8.699 1.00 0.00 C ATOM 1432 C THR A 95 5.451 7.876 7.697 1.00 0.00 C ATOM 1433 O THR A 95 4.756 8.857 7.951 1.00 0.00 O ATOM 1434 CB THR A 95 6.852 6.908 9.519 1.00 0.00 C ATOM 1435 OG1 THR A 95 7.061 5.722 10.313 1.00 0.00 O ATOM 1436 CG2 THR A 95 6.732 8.108 10.444 1.00 0.00 C ATOM 0 H THR A 95 6.561 4.947 8.296 1.00 0.00 H new ATOM 0 HA THR A 95 4.676 6.707 9.313 1.00 0.00 H new ATOM 0 HB THR A 95 7.687 7.085 8.842 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.876 5.826 10.847 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.655 8.222 11.013 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.556 9.007 9.853 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.899 7.956 11.130 1.00 0.00 H new ATOM 1444 N LYS A 96 6.080 7.729 6.556 1.00 0.00 N ATOM 1445 CA LYS A 96 6.155 8.788 5.568 1.00 0.00 C ATOM 1446 C LYS A 96 4.824 8.908 4.883 1.00 0.00 C ATOM 1447 O LYS A 96 4.378 9.990 4.502 1.00 0.00 O ATOM 1448 CB LYS A 96 7.265 8.474 4.580 1.00 0.00 C ATOM 1449 CG LYS A 96 8.631 8.319 5.243 1.00 0.00 C ATOM 1450 CD LYS A 96 9.148 9.622 5.830 1.00 0.00 C ATOM 1451 CE LYS A 96 10.538 9.431 6.415 1.00 0.00 C ATOM 1452 NZ LYS A 96 11.100 10.672 6.976 1.00 0.00 N ATOM 0 H LYS A 96 6.557 6.870 6.282 1.00 0.00 H new ATOM 0 HA LYS A 96 6.386 9.742 6.042 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.020 7.555 4.047 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.317 9.269 3.836 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.564 7.570 6.033 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.346 7.946 4.510 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.175 10.390 5.057 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.467 9.974 6.605 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.497 8.672 7.196 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.205 9.055 5.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.048 10.481 7.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.168 11.392 6.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.482 11.020 7.736 1.00 0.00 H new ATOM 1466 N PHE A 97 4.199 7.788 4.737 1.00 0.00 N ATOM 1467 CA PHE A 97 2.879 7.716 4.227 1.00 0.00 C ATOM 1468 C PHE A 97 1.886 8.034 5.333 1.00 0.00 C ATOM 1469 O PHE A 97 1.001 8.840 5.154 1.00 0.00 O ATOM 1470 CB PHE A 97 2.622 6.342 3.649 1.00 0.00 C ATOM 1471 CG PHE A 97 3.254 6.081 2.297 1.00 0.00 C ATOM 1472 CD1 PHE A 97 4.628 5.986 2.149 1.00 0.00 C ATOM 1473 CD2 PHE A 97 2.456 5.907 1.176 1.00 0.00 C ATOM 1474 CE1 PHE A 97 5.193 5.728 0.918 1.00 0.00 C ATOM 1475 CE2 PHE A 97 3.016 5.651 -0.057 1.00 0.00 C ATOM 1476 CZ PHE A 97 4.386 5.561 -0.187 1.00 0.00 C ATOM 0 H PHE A 97 4.603 6.882 4.975 1.00 0.00 H new ATOM 0 HA PHE A 97 2.756 8.449 3.430 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.988 5.595 4.353 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.545 6.198 3.562 1.00 0.00 H new ATOM 0 HD1 PHE A 97 5.266 6.116 3.011 1.00 0.00 H new ATOM 0 HD2 PHE A 97 1.382 5.973 1.271 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.266 5.657 0.820 1.00 0.00 H new ATOM 0 HE2 PHE A 97 2.382 5.521 -0.922 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.826 5.360 -1.153 1.00 0.00 H new ATOM 1486 N GLU A 98 2.094 7.426 6.486 1.00 0.00 N ATOM 1487 CA GLU A 98 1.260 7.589 7.685 1.00 0.00 C ATOM 1488 C GLU A 98 1.104 9.041 8.159 1.00 0.00 C ATOM 1489 O GLU A 98 0.168 9.350 8.905 1.00 0.00 O ATOM 1490 CB GLU A 98 1.776 6.700 8.833 1.00 0.00 C ATOM 1491 CG GLU A 98 1.496 5.212 8.673 1.00 0.00 C ATOM 1492 CD GLU A 98 1.911 4.425 9.890 1.00 0.00 C ATOM 1493 OE1 GLU A 98 1.107 4.317 10.843 1.00 0.00 O ATOM 1494 OE2 GLU A 98 3.043 3.917 9.930 1.00 0.00 O ATOM 0 H GLU A 98 2.871 6.781 6.629 1.00 0.00 H new ATOM 0 HA GLU A 98 0.262 7.267 7.388 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.852 6.843 8.927 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.326 7.040 9.766 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.432 5.061 8.489 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.027 4.835 7.799 1.00 0.00 H new ATOM 1501 N ALA A 99 2.002 9.916 7.757 1.00 0.00 N ATOM 1502 CA ALA A 99 1.948 11.295 8.195 1.00 0.00 C ATOM 1503 C ALA A 99 1.417 12.204 7.101 1.00 0.00 C ATOM 1504 O ALA A 99 1.167 13.384 7.334 1.00 0.00 O ATOM 1505 CB ALA A 99 3.326 11.762 8.640 1.00 0.00 C ATOM 0 H ALA A 99 2.776 9.698 7.129 1.00 0.00 H new ATOM 0 HA ALA A 99 1.262 11.349 9.040 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.270 12.800 8.967 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.672 11.140 9.466 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.024 11.681 7.807 1.00 0.00 H new ATOM 1511 N LYS A 100 1.251 11.665 5.906 1.00 0.00 N ATOM 1512 CA LYS A 100 0.796 12.455 4.782 1.00 0.00 C ATOM 1513 C LYS A 100 -0.519 11.954 4.227 1.00 0.00 C ATOM 1514 O LYS A 100 -1.398 12.744 3.869 1.00 0.00 O ATOM 1515 CB LYS A 100 1.852 12.529 3.665 1.00 0.00 C ATOM 1516 CG LYS A 100 3.037 13.471 3.906 1.00 0.00 C ATOM 1517 CD LYS A 100 3.954 13.039 5.033 1.00 0.00 C ATOM 1518 CE LYS A 100 5.084 14.024 5.180 1.00 0.00 C ATOM 1519 NZ LYS A 100 6.082 13.610 6.191 1.00 0.00 N ATOM 0 H LYS A 100 1.425 10.683 5.692 1.00 0.00 H new ATOM 0 HA LYS A 100 0.636 13.463 5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 100 2.243 11.525 3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 100 1.354 12.835 2.745 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.619 13.547 2.988 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.655 14.468 4.125 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.393 12.974 5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.351 12.044 4.830 1.00 0.00 H new ATOM 0 HE2 LYS A 100 5.580 14.147 4.217 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.677 14.997 5.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.835 14.325 6.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.620 13.519 7.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 6.494 12.695 5.918 1.00 0.00 H new ATOM 1533 N TYR A 101 -0.648 10.662 4.151 1.00 0.00 N ATOM 1534 CA TYR A 101 -1.821 10.040 3.628 1.00 0.00 C ATOM 1535 C TYR A 101 -2.618 9.453 4.770 1.00 0.00 C ATOM 1536 O TYR A 101 -2.055 8.803 5.653 1.00 0.00 O ATOM 1537 CB TYR A 101 -1.448 8.929 2.659 1.00 0.00 C ATOM 1538 CG TYR A 101 -0.594 9.359 1.492 1.00 0.00 C ATOM 1539 CD1 TYR A 101 -1.122 10.096 0.445 1.00 0.00 C ATOM 1540 CD2 TYR A 101 0.746 9.018 1.442 1.00 0.00 C ATOM 1541 CE1 TYR A 101 -0.334 10.479 -0.623 1.00 0.00 C ATOM 1542 CE2 TYR A 101 1.538 9.391 0.382 1.00 0.00 C ATOM 1543 CZ TYR A 101 0.995 10.120 -0.648 1.00 0.00 C ATOM 1544 OH TYR A 101 1.784 10.486 -1.712 1.00 0.00 O ATOM 0 H TYR A 101 0.070 10.005 4.456 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.411 10.787 3.098 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -0.919 8.150 3.209 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -2.364 8.481 2.274 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.165 10.375 0.464 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.178 8.448 2.251 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -0.757 11.056 -1.432 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.581 9.112 0.359 1.00 0.00 H new ATOM 0 HH TYR A 101 2.175 9.685 -2.120 1.00 0.00 H new ATOM 1554 N PRO A 102 -3.923 9.683 4.794 1.00 0.00 N ATOM 1555 CA PRO A 102 -4.784 9.166 5.840 1.00 0.00 C ATOM 1556 C PRO A 102 -5.094 7.680 5.660 1.00 0.00 C ATOM 1557 O PRO A 102 -5.321 7.201 4.530 1.00 0.00 O ATOM 1558 CB PRO A 102 -6.060 9.988 5.676 1.00 0.00 C ATOM 1559 CG PRO A 102 -6.106 10.304 4.225 1.00 0.00 C ATOM 1560 CD PRO A 102 -4.676 10.482 3.802 1.00 0.00 C ATOM 0 HA PRO A 102 -4.322 9.246 6.824 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.939 9.425 5.989 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.030 10.895 6.280 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.583 9.500 3.664 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.685 11.209 4.040 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.510 10.122 2.787 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.379 11.530 3.821 1.00 0.00 H new ATOM 1568 N VAL A 103 -5.076 6.960 6.758 1.00 0.00 N ATOM 1569 CA VAL A 103 -5.476 5.565 6.757 1.00 0.00 C ATOM 1570 C VAL A 103 -6.981 5.511 6.608 1.00 0.00 C ATOM 1571 O VAL A 103 -7.724 5.829 7.537 1.00 0.00 O ATOM 1572 CB VAL A 103 -5.049 4.800 8.053 1.00 0.00 C ATOM 1573 CG1 VAL A 103 -5.538 3.353 8.013 1.00 0.00 C ATOM 1574 CG2 VAL A 103 -3.544 4.824 8.224 1.00 0.00 C ATOM 0 H VAL A 103 -4.788 7.316 7.669 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.970 5.070 5.928 1.00 0.00 H new ATOM 0 HB VAL A 103 -5.508 5.306 8.902 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -5.230 2.840 8.924 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.625 3.338 7.938 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.108 2.847 7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.272 4.286 9.132 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -3.073 4.347 7.365 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.203 5.857 8.299 1.00 0.00 H new ATOM 1584 N VAL A 104 -7.421 5.157 5.439 1.00 0.00 N ATOM 1585 CA VAL A 104 -8.834 5.117 5.141 1.00 0.00 C ATOM 1586 C VAL A 104 -9.372 3.702 5.183 1.00 0.00 C ATOM 1587 O VAL A 104 -10.565 3.471 4.954 1.00 0.00 O ATOM 1588 CB VAL A 104 -9.158 5.762 3.771 1.00 0.00 C ATOM 1589 CG1 VAL A 104 -8.808 7.244 3.780 1.00 0.00 C ATOM 1590 CG2 VAL A 104 -8.410 5.051 2.656 1.00 0.00 C ATOM 0 H VAL A 104 -6.819 4.887 4.662 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.327 5.702 5.917 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.228 5.660 3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -9.043 7.679 2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.386 7.750 4.554 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.744 7.365 3.984 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.650 5.518 1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.337 5.122 2.835 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.705 4.002 2.631 1.00 0.00 H new ATOM 1600 N GLY A 105 -8.513 2.748 5.468 1.00 0.00 N ATOM 1601 CA GLY A 105 -8.986 1.411 5.550 1.00 0.00 C ATOM 1602 C GLY A 105 -7.956 0.389 5.910 1.00 0.00 C ATOM 1603 O GLY A 105 -6.863 0.705 6.388 1.00 0.00 O ATOM 0 H GLY A 105 -7.516 2.879 5.640 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.787 1.371 6.288 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -9.424 1.139 4.590 1.00 0.00 H new ATOM 1607 N ARG A 106 -8.311 -0.819 5.639 1.00 0.00 N ATOM 1608 CA ARG A 106 -7.581 -2.003 5.983 1.00 0.00 C ATOM 1609 C ARG A 106 -7.458 -2.857 4.767 1.00 0.00 C ATOM 1610 O ARG A 106 -8.395 -2.957 4.000 1.00 0.00 O ATOM 1611 CB ARG A 106 -8.438 -2.770 6.980 1.00 0.00 C ATOM 1612 CG ARG A 106 -7.950 -4.165 7.379 1.00 0.00 C ATOM 1613 CD ARG A 106 -6.650 -4.118 8.105 1.00 0.00 C ATOM 1614 NE ARG A 106 -6.768 -3.286 9.295 1.00 0.00 N ATOM 1615 CZ ARG A 106 -5.771 -2.935 10.124 1.00 0.00 C ATOM 1616 NH1 ARG A 106 -4.514 -3.281 9.858 1.00 0.00 N ATOM 1617 NH2 ARG A 106 -6.041 -2.229 11.212 1.00 0.00 N ATOM 0 H ARG A 106 -9.175 -1.026 5.138 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.597 -1.754 6.381 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.526 -2.169 7.885 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -9.440 -2.867 6.563 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.699 -4.644 8.009 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.844 -4.781 6.486 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -6.345 -5.126 8.386 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -5.874 -3.721 7.451 1.00 0.00 H new ATOM 0 HE ARG A 106 -7.699 -2.936 9.521 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -4.300 -3.818 9.018 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.765 -3.009 10.494 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -7.002 -1.955 11.417 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.288 -1.960 11.845 1.00 0.00 H new ATOM 1631 N VAL A 107 -6.335 -3.448 4.574 1.00 0.00 N ATOM 1632 CA VAL A 107 -6.217 -4.411 3.550 1.00 0.00 C ATOM 1633 C VAL A 107 -5.885 -5.732 4.202 1.00 0.00 C ATOM 1634 O VAL A 107 -4.942 -5.854 4.993 1.00 0.00 O ATOM 1635 CB VAL A 107 -5.226 -4.041 2.417 1.00 0.00 C ATOM 1636 CG1 VAL A 107 -3.835 -4.009 2.898 1.00 0.00 C ATOM 1637 CG2 VAL A 107 -5.372 -4.967 1.233 1.00 0.00 C ATOM 0 H VAL A 107 -5.486 -3.279 5.114 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.171 -4.468 3.025 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.479 -3.034 2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.171 -3.746 2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.741 -3.267 3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.561 -4.990 3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.663 -4.680 0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.172 -5.992 1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.387 -4.899 0.841 1.00 0.00 H new ATOM 1647 N VAL A 108 -6.695 -6.663 3.937 1.00 0.00 N ATOM 1648 CA VAL A 108 -6.617 -7.944 4.518 1.00 0.00 C ATOM 1649 C VAL A 108 -6.138 -8.899 3.446 1.00 0.00 C ATOM 1650 O VAL A 108 -6.467 -8.717 2.273 1.00 0.00 O ATOM 1651 CB VAL A 108 -8.027 -8.326 5.070 1.00 0.00 C ATOM 1652 CG1 VAL A 108 -8.495 -7.218 5.961 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -9.040 -8.458 3.984 1.00 0.00 C ATOM 0 H VAL A 108 -7.469 -6.558 3.281 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.918 -7.981 5.354 1.00 0.00 H new ATOM 0 HB VAL A 108 -7.932 -9.280 5.588 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -9.480 -7.463 6.359 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.792 -7.091 6.784 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -8.555 -6.292 5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -10.004 -8.725 4.416 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -9.130 -7.510 3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.727 -9.236 3.287 1.00 0.00 H new ATOM 1663 N SER A 109 -5.332 -9.851 3.793 1.00 0.00 N ATOM 1664 CA SER A 109 -4.813 -10.714 2.786 1.00 0.00 C ATOM 1665 C SER A 109 -4.588 -12.131 3.304 1.00 0.00 C ATOM 1666 O SER A 109 -3.444 -12.469 3.682 1.00 0.00 O ATOM 1667 CB SER A 109 -3.536 -10.086 2.217 1.00 0.00 C ATOM 1668 OG SER A 109 -2.561 -9.893 3.235 1.00 0.00 O ATOM 1669 OXT SER A 109 -5.571 -12.909 3.364 1.00 0.00 O ATOM 0 H SER A 109 -5.025 -10.047 4.746 1.00 0.00 H new ATOM 0 HA SER A 109 -5.544 -10.817 1.984 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.128 -10.728 1.436 1.00 0.00 H new ATOM 0 HB3 SER A 109 -3.774 -9.130 1.751 1.00 0.00 H new ATOM 0 HG SER A 109 -2.481 -10.710 3.770 1.00 0.00 H new TER 1675 SER A 109