USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 695 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 MET CE :methyl -108:sc= -0.85 (180deg=-1.78!) USER MOD Set 1.2: A 70 HIS : no HE2:sc= -0.955 X(o=-1.8,f=-1.7) USER MOD Set 2.1: A 20 CYS SG : rot -176:sc= -1.34 USER MOD Set 2.2: A 42 CYS SG : rot 180:sc= -0.966 USER MOD Set 2.3: A 43 CYS SG : rot 120:sc= 0.101 USER MOD Set 3.1: A 15 SER OG : rot 180:sc= 0.178 USER MOD Set 3.2: A 17 SER OG : rot -97:sc= 0.179 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.377 (180deg=-0.595) USER MOD Single : A 2 SER OG : rot 160:sc= -0.931 USER MOD Single : A 5 ASN : amide:sc= -0.0321 X(o=-0.032,f=-0.29) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -155:sc= -2.93! (180deg=-4.02!) USER MOD Single : A 23 CYS SG : rot 17:sc= 0.00333 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -1.61! C(o=-1.6!,f=-1.6!) USER MOD Single : A 46 CYS SG : rot 180:sc= 0.018 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.421 X(o=-0.42,f=-0.036) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -112:sc= -2.07! (180deg=-2.31!) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -0.259 F(o=-1.3,f=-0.26) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 65 ASN : amide:sc= -0.0157 X(o=-0.016,f=-0.0042) USER MOD Single : A 74 ASN : amide:sc= -3.78 K(o=-3.8,f=-7.4!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.132 K(o=-0.13,f=-2.3!) USER MOD Single : A 80 ASN : amide:sc= -0.367 K(o=-0.37,f=-2.3!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -2.32! C(o=-2.3!,f=-7!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00253) USER MOD Single : A 103 LYS NZ :NH3+ -116:sc= -2.37! (180deg=-3.03) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.860 16.117 -4.202 1.00 0.00 N ATOM 2 CA MET A 1 7.156 15.175 -5.054 1.00 0.00 C ATOM 3 C MET A 1 7.052 13.802 -4.385 1.00 0.00 C ATOM 4 O MET A 1 7.945 12.969 -4.526 1.00 0.00 O ATOM 5 CB MET A 1 7.897 15.037 -6.386 1.00 0.00 C ATOM 6 CG MET A 1 7.010 15.473 -7.554 1.00 0.00 C ATOM 7 SD MET A 1 7.675 14.850 -9.089 1.00 0.00 S ATOM 8 CE MET A 1 6.311 15.207 -10.185 1.00 0.00 C ATOM 0 H1 MET A 1 7.729 17.082 -4.568 1.00 0.00 H new ATOM 0 H2 MET A 1 7.482 16.060 -3.235 1.00 0.00 H new ATOM 0 H3 MET A 1 8.874 15.886 -4.192 1.00 0.00 H new ATOM 0 HA MET A 1 6.148 15.553 -5.226 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.803 15.643 -6.367 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.208 14.002 -6.528 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.996 15.101 -7.410 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.949 16.561 -7.589 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.560 14.879 -11.194 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.421 14.680 -9.842 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.119 16.280 -10.189 1.00 0.00 H new ATOM 16 N SER A 2 5.952 13.610 -3.671 1.00 0.00 N ATOM 17 CA SER A 2 5.719 12.354 -2.978 1.00 0.00 C ATOM 18 C SER A 2 4.302 11.854 -3.266 1.00 0.00 C ATOM 19 O SER A 2 3.344 12.624 -3.207 1.00 0.00 O ATOM 20 CB SER A 2 5.933 12.507 -1.472 1.00 0.00 C ATOM 21 OG SER A 2 6.556 13.746 -1.145 1.00 0.00 O ATOM 0 H SER A 2 5.212 14.303 -3.558 1.00 0.00 H new ATOM 0 HA SER A 2 6.438 11.622 -3.346 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.973 12.438 -0.960 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.548 11.684 -1.108 1.00 0.00 H new ATOM 0 HG SER A 2 6.391 13.956 -0.202 1.00 0.00 H new ATOM 26 N GLU A 3 4.212 10.567 -3.569 1.00 0.00 N ATOM 27 CA GLU A 3 2.928 9.956 -3.865 1.00 0.00 C ATOM 28 C GLU A 3 2.864 8.544 -3.277 1.00 0.00 C ATOM 29 O GLU A 3 3.689 7.694 -3.604 1.00 0.00 O ATOM 30 CB GLU A 3 2.665 9.934 -5.372 1.00 0.00 C ATOM 31 CG GLU A 3 3.813 9.253 -6.119 1.00 0.00 C ATOM 32 CD GLU A 3 4.553 10.250 -7.013 1.00 0.00 C ATOM 33 OE1 GLU A 3 4.585 11.452 -6.708 1.00 0.00 O ATOM 34 OE2 GLU A 3 5.109 9.737 -8.057 1.00 0.00 O ATOM 0 H GLU A 3 5.008 9.931 -3.616 1.00 0.00 H new ATOM 0 HA GLU A 3 2.146 10.558 -3.402 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.732 9.408 -5.574 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.542 10.953 -5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.509 8.815 -5.403 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.423 8.435 -6.725 1.00 0.00 H new ATOM 40 N VAL A 4 1.876 8.340 -2.417 1.00 0.00 N ATOM 41 CA VAL A 4 1.694 7.047 -1.781 1.00 0.00 C ATOM 42 C VAL A 4 0.341 6.465 -2.197 1.00 0.00 C ATOM 43 O VAL A 4 -0.706 7.026 -1.876 1.00 0.00 O ATOM 44 CB VAL A 4 1.846 7.183 -0.265 1.00 0.00 C ATOM 45 CG1 VAL A 4 1.224 5.987 0.458 1.00 0.00 C ATOM 46 CG2 VAL A 4 3.315 7.358 0.125 1.00 0.00 C ATOM 0 H VAL A 4 1.194 9.049 -2.146 1.00 0.00 H new ATOM 0 HA VAL A 4 2.463 6.348 -2.109 1.00 0.00 H new ATOM 0 HB VAL A 4 1.308 8.078 0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.346 6.109 1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.163 5.928 0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.720 5.070 0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.395 7.452 1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.885 6.490 -0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.712 8.256 -0.348 1.00 0.00 H new ATOM 56 N ASN A 5 0.406 5.345 -2.903 1.00 0.00 N ATOM 57 CA ASN A 5 -0.801 4.681 -3.366 1.00 0.00 C ATOM 58 C ASN A 5 -0.627 3.168 -3.233 1.00 0.00 C ATOM 59 O ASN A 5 0.248 2.581 -3.870 1.00 0.00 O ATOM 60 CB ASN A 5 -1.075 4.999 -4.837 1.00 0.00 C ATOM 61 CG ASN A 5 0.203 5.443 -5.550 1.00 0.00 C ATOM 62 OD1 ASN A 5 1.088 4.656 -5.841 1.00 0.00 O ATOM 63 ND2 ASN A 5 0.252 6.745 -5.814 1.00 0.00 N ATOM 0 H ASN A 5 1.276 4.881 -3.165 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.635 5.035 -2.760 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -1.485 4.119 -5.333 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -1.827 5.785 -4.909 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.065 7.139 -6.287 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -0.524 7.350 -5.543 1.00 0.00 H new ATOM 69 N ILE A 6 -1.474 2.577 -2.403 1.00 0.00 N ATOM 70 CA ILE A 6 -1.426 1.142 -2.180 1.00 0.00 C ATOM 71 C ILE A 6 -2.850 0.587 -2.141 1.00 0.00 C ATOM 72 O ILE A 6 -3.724 1.155 -1.487 1.00 0.00 O ATOM 73 CB ILE A 6 -0.608 0.823 -0.927 1.00 0.00 C ATOM 74 CG1 ILE A 6 0.804 0.363 -1.295 1.00 0.00 C ATOM 75 CG2 ILE A 6 -1.331 -0.197 -0.045 1.00 0.00 C ATOM 76 CD1 ILE A 6 1.666 1.545 -1.746 1.00 0.00 C ATOM 0 H ILE A 6 -2.198 3.066 -1.877 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.913 0.646 -3.004 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.506 1.738 -0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.267 -0.123 -0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.753 -0.379 -2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.728 -0.406 0.839 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.296 0.206 0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.485 -1.119 -0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.665 1.190 -2.002 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.213 2.014 -2.619 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.735 2.274 -0.938 1.00 0.00 H new ATOM 87 N VAL A 7 -3.042 -0.515 -2.852 1.00 0.00 N ATOM 88 CA VAL A 7 -4.347 -1.153 -2.907 1.00 0.00 C ATOM 89 C VAL A 7 -4.165 -2.671 -2.961 1.00 0.00 C ATOM 90 O VAL A 7 -3.278 -3.170 -3.653 1.00 0.00 O ATOM 91 CB VAL A 7 -5.147 -0.603 -4.089 1.00 0.00 C ATOM 92 CG1 VAL A 7 -6.378 -1.470 -4.367 1.00 0.00 C ATOM 93 CG2 VAL A 7 -5.545 0.854 -3.852 1.00 0.00 C ATOM 0 H VAL A 7 -2.316 -0.982 -3.395 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.922 -0.927 -2.009 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.507 -0.635 -4.971 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.930 -1.058 -5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.062 -2.486 -4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.020 -1.484 -3.486 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.113 1.220 -4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.158 0.922 -2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.648 1.460 -3.726 1.00 0.00 H new ATOM 103 N VAL A 8 -5.019 -3.364 -2.222 1.00 0.00 N ATOM 104 CA VAL A 8 -4.964 -4.815 -2.178 1.00 0.00 C ATOM 105 C VAL A 8 -6.317 -5.386 -2.610 1.00 0.00 C ATOM 106 O VAL A 8 -7.333 -5.148 -1.958 1.00 0.00 O ATOM 107 CB VAL A 8 -4.538 -5.280 -0.784 1.00 0.00 C ATOM 108 CG1 VAL A 8 -4.596 -6.805 -0.672 1.00 0.00 C ATOM 109 CG2 VAL A 8 -3.143 -4.757 -0.435 1.00 0.00 C ATOM 0 H VAL A 8 -5.753 -2.947 -1.649 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.215 -5.190 -2.875 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.242 -4.865 -0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.288 -7.108 0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.615 -7.145 -0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.926 -7.250 -1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.864 -5.102 0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.422 -5.129 -1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.148 -3.667 -0.454 1.00 0.00 H new ATOM 119 N ASN A 9 -6.286 -6.128 -3.707 1.00 0.00 N ATOM 120 CA ASN A 9 -7.497 -6.734 -4.235 1.00 0.00 C ATOM 121 C ASN A 9 -7.377 -8.257 -4.151 1.00 0.00 C ATOM 122 O ASN A 9 -6.586 -8.862 -4.873 1.00 0.00 O ATOM 123 CB ASN A 9 -7.708 -6.356 -5.701 1.00 0.00 C ATOM 124 CG ASN A 9 -9.182 -6.483 -6.094 1.00 0.00 C ATOM 125 OD1 ASN A 9 -9.683 -7.556 -6.386 1.00 0.00 O ATOM 126 ND2 ASN A 9 -9.845 -5.331 -6.084 1.00 0.00 N ATOM 0 H ASN A 9 -5.442 -6.323 -4.245 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.340 -6.373 -3.646 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.370 -5.333 -5.869 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -7.102 -7.001 -6.337 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.834 -5.310 -6.331 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -9.364 -4.468 -5.829 1.00 0.00 H new ATOM 132 N GLY A 10 -8.175 -8.834 -3.263 1.00 0.00 N ATOM 133 CA GLY A 10 -8.168 -10.275 -3.076 1.00 0.00 C ATOM 134 C GLY A 10 -7.473 -10.654 -1.768 1.00 0.00 C ATOM 135 O GLY A 10 -7.101 -11.810 -1.571 1.00 0.00 O ATOM 0 H GLY A 10 -8.830 -8.329 -2.666 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.192 -10.650 -3.070 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.659 -10.752 -3.914 1.00 0.00 H new ATOM 139 N ARG A 11 -7.319 -9.660 -0.907 1.00 0.00 N ATOM 140 CA ARG A 11 -6.675 -9.874 0.379 1.00 0.00 C ATOM 141 C ARG A 11 -5.491 -10.830 0.225 1.00 0.00 C ATOM 142 O ARG A 11 -5.375 -11.806 0.966 1.00 0.00 O ATOM 143 CB ARG A 11 -7.659 -10.453 1.398 1.00 0.00 C ATOM 144 CG ARG A 11 -9.040 -9.808 1.255 1.00 0.00 C ATOM 145 CD ARG A 11 -10.111 -10.648 1.951 1.00 0.00 C ATOM 146 NE ARG A 11 -10.227 -11.969 1.293 1.00 0.00 N ATOM 147 CZ ARG A 11 -10.611 -13.098 1.924 1.00 0.00 C ATOM 148 NH1 ARG A 11 -10.921 -13.077 3.239 1.00 0.00 N ATOM 149 NH2 ARG A 11 -10.679 -14.224 1.239 1.00 0.00 N ATOM 0 H ARG A 11 -7.629 -8.703 -1.074 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.323 -8.907 0.739 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.741 -11.531 1.258 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.281 -10.291 2.407 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.023 -8.806 1.683 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.287 -9.699 0.199 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.856 -10.778 3.003 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.070 -10.130 1.917 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.002 -12.029 0.300 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.866 -12.203 3.762 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.210 -13.935 3.709 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.443 -14.232 0.247 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.968 -15.086 1.702 1.00 0.00 H new ATOM 159 N GLU A 12 -4.640 -10.516 -0.740 1.00 0.00 N ATOM 160 CA GLU A 12 -3.467 -11.334 -1.000 1.00 0.00 C ATOM 161 C GLU A 12 -2.193 -10.500 -0.848 1.00 0.00 C ATOM 162 O GLU A 12 -2.149 -9.345 -1.267 1.00 0.00 O ATOM 163 CB GLU A 12 -3.541 -11.973 -2.390 1.00 0.00 C ATOM 164 CG GLU A 12 -3.654 -10.905 -3.479 1.00 0.00 C ATOM 165 CD GLU A 12 -2.716 -11.213 -4.648 1.00 0.00 C ATOM 166 OE1 GLU A 12 -1.985 -10.322 -5.107 1.00 0.00 O ATOM 167 OE2 GLU A 12 -2.762 -12.429 -5.078 1.00 0.00 O ATOM 0 H GLU A 12 -4.739 -9.706 -1.352 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.440 -12.139 -0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.653 -12.581 -2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.400 -12.642 -2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.682 -10.853 -3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.412 -9.928 -3.061 1.00 0.00 H new ATOM 173 N ALA A 13 -1.188 -11.119 -0.248 1.00 0.00 N ATOM 174 CA ALA A 13 0.084 -10.449 -0.035 1.00 0.00 C ATOM 175 C ALA A 13 1.225 -11.411 -0.370 1.00 0.00 C ATOM 176 O ALA A 13 1.121 -12.611 -0.124 1.00 0.00 O ATOM 177 CB ALA A 13 0.156 -9.936 1.405 1.00 0.00 C ATOM 0 H ALA A 13 -1.228 -12.078 0.098 1.00 0.00 H new ATOM 0 HA ALA A 13 0.178 -9.585 -0.693 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.110 -9.433 1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.658 -9.234 1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.068 -10.775 2.095 1.00 0.00 H new ATOM 183 N GLY A 14 2.289 -10.848 -0.924 1.00 0.00 N ATOM 184 CA GLY A 14 3.448 -11.640 -1.294 1.00 0.00 C ATOM 185 C GLY A 14 4.677 -10.753 -1.499 1.00 0.00 C ATOM 186 O GLY A 14 5.474 -10.988 -2.406 1.00 0.00 O ATOM 0 H GLY A 14 2.372 -9.852 -1.125 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.652 -12.376 -0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.238 -12.193 -2.210 1.00 0.00 H new ATOM 190 N SER A 15 4.793 -9.750 -0.641 1.00 0.00 N ATOM 191 CA SER A 15 5.911 -8.826 -0.715 1.00 0.00 C ATOM 192 C SER A 15 6.596 -8.720 0.649 1.00 0.00 C ATOM 193 O SER A 15 6.180 -9.370 1.608 1.00 0.00 O ATOM 194 CB SER A 15 5.453 -7.444 -1.186 1.00 0.00 C ATOM 195 OG SER A 15 4.270 -7.017 -0.517 1.00 0.00 O ATOM 0 H SER A 15 4.130 -9.557 0.110 1.00 0.00 H new ATOM 0 HA SER A 15 6.624 -9.212 -1.443 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.249 -6.720 -1.013 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.273 -7.469 -2.261 1.00 0.00 H new ATOM 0 HG SER A 15 4.011 -6.130 -0.844 1.00 0.00 H new ATOM 200 N LYS A 16 7.634 -7.899 0.693 1.00 0.00 N ATOM 201 CA LYS A 16 8.380 -7.701 1.924 1.00 0.00 C ATOM 202 C LYS A 16 7.620 -6.726 2.825 1.00 0.00 C ATOM 203 O LYS A 16 8.176 -6.204 3.789 1.00 0.00 O ATOM 204 CB LYS A 16 9.814 -7.264 1.617 1.00 0.00 C ATOM 205 CG LYS A 16 9.837 -5.880 0.963 1.00 0.00 C ATOM 206 CD LYS A 16 11.083 -5.705 0.094 1.00 0.00 C ATOM 207 CE LYS A 16 10.737 -5.823 -1.391 1.00 0.00 C ATOM 208 NZ LYS A 16 10.845 -7.230 -1.840 1.00 0.00 N ATOM 0 H LYS A 16 7.977 -7.363 -0.104 1.00 0.00 H new ATOM 0 HA LYS A 16 8.467 -8.640 2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.397 -7.245 2.538 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.286 -7.991 0.956 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.943 -5.747 0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.816 -5.109 1.734 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.533 -4.732 0.290 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.824 -6.459 0.359 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.725 -5.457 -1.565 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.408 -5.196 -1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.607 -7.291 -2.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.818 -7.568 -1.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.187 -7.821 -1.293 1.00 0.00 H new ATOM 217 N SER A 17 6.359 -6.510 2.479 1.00 0.00 N ATOM 218 CA SER A 17 5.517 -5.607 3.245 1.00 0.00 C ATOM 219 C SER A 17 4.984 -6.319 4.490 1.00 0.00 C ATOM 220 O SER A 17 4.149 -5.774 5.212 1.00 0.00 O ATOM 221 CB SER A 17 4.356 -5.084 2.395 1.00 0.00 C ATOM 222 OG SER A 17 3.316 -6.048 2.262 1.00 0.00 O ATOM 0 H SER A 17 5.900 -6.945 1.678 1.00 0.00 H new ATOM 0 HA SER A 17 6.121 -4.753 3.553 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.954 -4.178 2.848 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.725 -4.810 1.407 1.00 0.00 H new ATOM 0 HG SER A 17 3.419 -6.525 1.412 1.00 0.00 H new ATOM 227 N LYS A 18 5.489 -7.524 4.706 1.00 0.00 N ATOM 228 CA LYS A 18 5.075 -8.316 5.852 1.00 0.00 C ATOM 229 C LYS A 18 6.002 -8.020 7.032 1.00 0.00 C ATOM 230 O LYS A 18 5.645 -8.264 8.184 1.00 0.00 O ATOM 231 CB LYS A 18 5.005 -9.799 5.483 1.00 0.00 C ATOM 232 CG LYS A 18 3.849 -10.069 4.516 1.00 0.00 C ATOM 233 CD LYS A 18 3.989 -11.447 3.866 1.00 0.00 C ATOM 234 CE LYS A 18 3.056 -11.582 2.662 1.00 0.00 C ATOM 235 NZ LYS A 18 1.692 -11.954 3.102 1.00 0.00 N ATOM 0 H LYS A 18 6.182 -7.972 4.106 1.00 0.00 H new ATOM 0 HA LYS A 18 4.066 -8.040 6.160 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.945 -10.109 5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.876 -10.396 6.386 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.901 -10.010 5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.828 -9.299 3.744 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.021 -11.601 3.550 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.760 -12.223 4.597 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.023 -10.641 2.113 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.442 -12.337 1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.199 -12.443 2.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.753 -12.585 3.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.165 -11.096 3.361 1.00 0.00 H new ATOM 244 N GLY A 19 7.175 -7.497 6.706 1.00 0.00 N ATOM 245 CA GLY A 19 8.156 -7.164 7.725 1.00 0.00 C ATOM 246 C GLY A 19 7.869 -5.791 8.335 1.00 0.00 C ATOM 247 O GLY A 19 6.716 -5.371 8.414 1.00 0.00 O ATOM 0 H GLY A 19 7.468 -7.296 5.750 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.145 -7.923 8.507 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.155 -7.170 7.289 1.00 0.00 H new ATOM 251 N CYS A 20 8.938 -5.129 8.752 1.00 0.00 N ATOM 252 CA CYS A 20 8.816 -3.812 9.352 1.00 0.00 C ATOM 253 C CYS A 20 9.094 -2.764 8.273 1.00 0.00 C ATOM 254 O CYS A 20 9.689 -3.073 7.242 1.00 0.00 O ATOM 255 CB CYS A 20 9.747 -3.651 10.557 1.00 0.00 C ATOM 256 SG CYS A 20 9.515 -5.046 11.717 1.00 0.00 S ATOM 0 H CYS A 20 9.893 -5.481 8.686 1.00 0.00 H new ATOM 0 HA CYS A 20 7.805 -3.677 9.736 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.784 -3.613 10.223 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.540 -2.708 11.063 1.00 0.00 H new ATOM 0 HG CYS A 20 10.251 -4.860 12.772 1.00 0.00 H new ATOM 261 N ALA A 21 8.649 -1.546 8.546 1.00 0.00 N ATOM 262 CA ALA A 21 8.842 -0.452 7.612 1.00 0.00 C ATOM 263 C ALA A 21 10.341 -0.200 7.429 1.00 0.00 C ATOM 264 O ALA A 21 10.822 -0.091 6.302 1.00 0.00 O ATOM 265 CB ALA A 21 8.101 0.789 8.117 1.00 0.00 C ATOM 0 H ALA A 21 8.155 -1.294 9.402 1.00 0.00 H new ATOM 0 HA ALA A 21 8.428 -0.705 6.636 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.246 1.610 7.415 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.037 0.568 8.202 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.491 1.073 9.094 1.00 0.00 H new ATOM 271 N LEU A 22 11.035 -0.117 8.553 1.00 0.00 N ATOM 272 CA LEU A 22 12.469 0.119 8.531 1.00 0.00 C ATOM 273 C LEU A 22 13.152 -0.989 7.727 1.00 0.00 C ATOM 274 O LEU A 22 13.842 -0.715 6.746 1.00 0.00 O ATOM 275 CB LEU A 22 13.010 0.268 9.954 1.00 0.00 C ATOM 276 CG LEU A 22 13.374 1.689 10.388 1.00 0.00 C ATOM 277 CD1 LEU A 22 14.631 2.178 9.667 1.00 0.00 C ATOM 278 CD2 LEU A 22 12.193 2.642 10.192 1.00 0.00 C ATOM 0 H LEU A 22 10.632 -0.209 9.485 1.00 0.00 H new ATOM 0 HA LEU A 22 12.692 1.061 8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.265 -0.123 10.647 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.896 -0.359 10.052 1.00 0.00 H new ATOM 0 HG LEU A 22 13.601 1.673 11.454 1.00 0.00 H new ATOM 0 HD11 LEU A 22 14.867 3.191 9.994 1.00 0.00 H new ATOM 0 HD12 LEU A 22 15.465 1.517 9.901 1.00 0.00 H new ATOM 0 HD13 LEU A 22 14.457 2.175 8.591 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.479 3.645 10.508 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.911 2.660 9.139 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.347 2.301 10.789 1.00 0.00 H new ATOM 289 N CYS A 23 12.935 -2.219 8.173 1.00 0.00 N ATOM 290 CA CYS A 23 13.521 -3.370 7.507 1.00 0.00 C ATOM 291 C CYS A 23 12.518 -4.524 7.571 1.00 0.00 C ATOM 292 O CYS A 23 11.677 -4.570 8.467 1.00 0.00 O ATOM 293 CB CYS A 23 14.870 -3.752 8.120 1.00 0.00 C ATOM 294 SG CYS A 23 14.649 -4.234 9.871 1.00 0.00 S ATOM 0 H CYS A 23 12.362 -2.443 8.987 1.00 0.00 H new ATOM 0 HA CYS A 23 13.726 -3.125 6.465 1.00 0.00 H new ATOM 0 HB2 CYS A 23 15.312 -4.576 7.561 1.00 0.00 H new ATOM 0 HB3 CYS A 23 15.561 -2.912 8.050 1.00 0.00 H new ATOM 0 HG CYS A 23 13.394 -4.485 10.097 1.00 0.00 H new ATOM 299 N GLY A 24 12.640 -5.426 6.608 1.00 0.00 N ATOM 300 CA GLY A 24 11.755 -6.575 6.544 1.00 0.00 C ATOM 301 C GLY A 24 12.533 -7.879 6.744 1.00 0.00 C ATOM 302 O GLY A 24 13.112 -8.411 5.799 1.00 0.00 O ATOM 0 H GLY A 24 13.339 -5.384 5.866 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.983 -6.487 7.309 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.248 -6.594 5.580 1.00 0.00 H new ATOM 306 N ALA A 25 12.520 -8.353 7.981 1.00 0.00 N ATOM 307 CA ALA A 25 13.217 -9.583 8.317 1.00 0.00 C ATOM 308 C ALA A 25 12.192 -10.679 8.618 1.00 0.00 C ATOM 309 O ALA A 25 12.430 -11.852 8.332 1.00 0.00 O ATOM 310 CB ALA A 25 14.162 -9.330 9.494 1.00 0.00 C ATOM 0 H ALA A 25 12.038 -7.908 8.762 1.00 0.00 H new ATOM 0 HA ALA A 25 13.825 -9.921 7.478 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.685 -10.253 9.746 1.00 0.00 H new ATOM 0 HB2 ALA A 25 14.888 -8.565 9.220 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.587 -8.992 10.356 1.00 0.00 H new ATOM 316 N THR A 26 11.074 -10.258 9.190 1.00 0.00 N ATOM 317 CA THR A 26 10.013 -11.189 9.532 1.00 0.00 C ATOM 318 C THR A 26 8.925 -11.177 8.457 1.00 0.00 C ATOM 319 O THR A 26 8.534 -10.115 7.974 1.00 0.00 O ATOM 320 CB THR A 26 9.493 -10.824 10.925 1.00 0.00 C ATOM 321 OG1 THR A 26 10.444 -11.405 11.813 1.00 0.00 O ATOM 322 CG2 THR A 26 8.182 -11.534 11.266 1.00 0.00 C ATOM 0 H THR A 26 10.880 -9.285 9.425 1.00 0.00 H new ATOM 0 HA THR A 26 10.383 -12.214 9.565 1.00 0.00 H new ATOM 0 HB THR A 26 9.347 -9.746 10.987 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.185 -11.215 12.739 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.858 -11.240 12.264 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.418 -11.256 10.540 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.334 -12.613 11.237 1.00 0.00 H new ATOM 330 N TRP A 27 8.467 -12.371 8.110 1.00 0.00 N ATOM 331 CA TRP A 27 7.432 -12.512 7.100 1.00 0.00 C ATOM 332 C TRP A 27 6.275 -13.303 7.714 1.00 0.00 C ATOM 333 O TRP A 27 6.489 -14.151 8.579 1.00 0.00 O ATOM 334 CB TRP A 27 7.990 -13.157 5.830 1.00 0.00 C ATOM 335 CG TRP A 27 9.511 -13.059 5.698 1.00 0.00 C ATOM 336 CD1 TRP A 27 10.242 -11.991 5.348 1.00 0.00 C ATOM 337 CD2 TRP A 27 10.464 -14.116 5.932 1.00 0.00 C ATOM 338 NE1 TRP A 27 11.590 -12.282 5.338 1.00 0.00 N ATOM 339 CE2 TRP A 27 11.730 -13.616 5.705 1.00 0.00 C ATOM 340 CE3 TRP A 27 10.264 -15.452 6.322 1.00 0.00 C ATOM 341 CZ2 TRP A 27 12.894 -14.382 5.841 1.00 0.00 C ATOM 342 CZ3 TRP A 27 11.437 -16.205 6.454 1.00 0.00 C ATOM 343 CH2 TRP A 27 12.718 -15.716 6.229 1.00 0.00 C ATOM 0 H TRP A 27 8.794 -13.250 8.511 1.00 0.00 H new ATOM 0 HA TRP A 27 7.060 -11.535 6.791 1.00 0.00 H new ATOM 0 HB2 TRP A 27 7.701 -14.208 5.812 1.00 0.00 H new ATOM 0 HB3 TRP A 27 7.529 -12.685 4.962 1.00 0.00 H new ATOM 0 HD1 TRP A 27 9.827 -11.024 5.104 1.00 0.00 H new ATOM 0 HE1 TRP A 27 12.345 -11.637 5.104 1.00 0.00 H new ATOM 0 HE3 TRP A 27 9.283 -15.865 6.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 13.874 -13.967 5.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 11.339 -17.239 6.752 1.00 0.00 H new ATOM 0 HH2 TRP A 27 13.574 -16.362 6.353 1.00 0.00 H new ATOM 353 N GLY A 28 5.076 -12.997 7.243 1.00 0.00 N ATOM 354 CA GLY A 28 3.885 -13.670 7.735 1.00 0.00 C ATOM 355 C GLY A 28 2.618 -13.011 7.188 1.00 0.00 C ATOM 356 O GLY A 28 2.482 -11.789 7.226 1.00 0.00 O ATOM 0 H GLY A 28 4.903 -12.292 6.526 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.909 -14.720 7.442 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.872 -13.643 8.825 1.00 0.00 H new ATOM 360 N ASP A 29 1.720 -13.850 6.690 1.00 0.00 N ATOM 361 CA ASP A 29 0.467 -13.363 6.136 1.00 0.00 C ATOM 362 C ASP A 29 -0.602 -13.358 7.230 1.00 0.00 C ATOM 363 O ASP A 29 -1.733 -12.936 6.995 1.00 0.00 O ATOM 364 CB ASP A 29 -0.019 -14.267 5.002 1.00 0.00 C ATOM 365 CG ASP A 29 -1.448 -13.995 4.526 1.00 0.00 C ATOM 366 OD1 ASP A 29 -1.862 -12.835 4.381 1.00 0.00 O ATOM 367 OD2 ASP A 29 -2.157 -15.048 4.298 1.00 0.00 O ATOM 0 H ASP A 29 1.835 -14.863 6.659 1.00 0.00 H new ATOM 0 HA ASP A 29 0.636 -12.358 5.749 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.657 -14.157 4.154 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.047 -15.304 5.330 1.00 0.00 H new ATOM 372 N TYR A 30 -0.207 -13.835 8.401 1.00 0.00 N ATOM 373 CA TYR A 30 -1.117 -13.890 9.533 1.00 0.00 C ATOM 374 C TYR A 30 -1.256 -12.517 10.192 1.00 0.00 C ATOM 375 O TYR A 30 -1.992 -12.364 11.166 1.00 0.00 O ATOM 376 CB TYR A 30 -0.488 -14.862 10.533 1.00 0.00 C ATOM 377 CG TYR A 30 -1.329 -16.112 10.800 1.00 0.00 C ATOM 378 CD1 TYR A 30 -1.805 -16.862 9.743 1.00 0.00 C ATOM 379 CD2 TYR A 30 -1.613 -16.489 12.097 1.00 0.00 C ATOM 380 CE1 TYR A 30 -2.595 -18.039 9.995 1.00 0.00 C ATOM 381 CE2 TYR A 30 -2.404 -17.665 12.348 1.00 0.00 C ATOM 382 CZ TYR A 30 -2.857 -18.382 11.284 1.00 0.00 C ATOM 383 OH TYR A 30 -3.604 -19.493 11.521 1.00 0.00 O ATOM 0 H TYR A 30 0.731 -14.187 8.591 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.110 -14.205 9.212 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.490 -15.167 10.161 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -0.322 -14.340 11.476 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.585 -16.566 8.728 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.242 -15.902 12.924 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.971 -18.636 9.178 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.633 -17.971 13.358 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.710 -19.616 12.487 1.00 0.00 H new ATOM 392 N HIS A 31 -0.539 -11.553 9.635 1.00 0.00 N ATOM 393 CA HIS A 31 -0.573 -10.197 10.158 1.00 0.00 C ATOM 394 C HIS A 31 -1.212 -9.266 9.125 1.00 0.00 C ATOM 395 O HIS A 31 -1.427 -9.658 7.978 1.00 0.00 O ATOM 396 CB HIS A 31 0.824 -9.743 10.582 1.00 0.00 C ATOM 397 CG HIS A 31 1.547 -10.726 11.470 1.00 0.00 C ATOM 398 ND1 HIS A 31 2.898 -10.998 11.346 1.00 0.00 N ATOM 399 CD2 HIS A 31 1.092 -11.499 12.499 1.00 0.00 C ATOM 400 CE1 HIS A 31 3.230 -11.895 12.261 1.00 0.00 C ATOM 401 NE2 HIS A 31 2.111 -12.205 12.975 1.00 0.00 N ATOM 0 H HIS A 31 0.069 -11.683 8.827 1.00 0.00 H new ATOM 0 HA HIS A 31 -1.189 -10.164 11.056 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.424 -9.567 9.689 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.742 -8.790 11.104 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.076 -11.531 12.864 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.216 -12.309 12.415 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.064 -12.870 13.747 1.00 0.00 H new ATOM 408 N ALA A 32 -1.497 -8.050 9.569 1.00 0.00 N ATOM 409 CA ALA A 32 -2.106 -7.060 8.697 1.00 0.00 C ATOM 410 C ALA A 32 -1.080 -5.974 8.371 1.00 0.00 C ATOM 411 O ALA A 32 -0.450 -5.419 9.269 1.00 0.00 O ATOM 412 CB ALA A 32 -3.361 -6.494 9.366 1.00 0.00 C ATOM 0 H ALA A 32 -1.318 -7.728 10.520 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.415 -7.515 7.756 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.818 -5.751 8.712 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.070 -7.301 9.550 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.089 -6.026 10.312 1.00 0.00 H new ATOM 418 N ASP A 33 -0.944 -5.702 7.081 1.00 0.00 N ATOM 419 CA ASP A 33 -0.004 -4.692 6.623 1.00 0.00 C ATOM 420 C ASP A 33 -0.742 -3.366 6.428 1.00 0.00 C ATOM 421 O ASP A 33 -1.970 -3.339 6.362 1.00 0.00 O ATOM 422 CB ASP A 33 0.622 -5.087 5.284 1.00 0.00 C ATOM 423 CG ASP A 33 -0.311 -4.973 4.077 1.00 0.00 C ATOM 424 OD1 ASP A 33 -1.167 -5.839 3.847 1.00 0.00 O ATOM 425 OD2 ASP A 33 -0.130 -3.926 3.346 1.00 0.00 O ATOM 0 H ASP A 33 -1.469 -6.164 6.338 1.00 0.00 H new ATOM 0 HA ASP A 33 0.781 -4.598 7.373 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.496 -4.460 5.109 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.976 -6.115 5.355 1.00 0.00 H new ATOM 430 N PHE A 34 0.037 -2.299 6.342 1.00 0.00 N ATOM 431 CA PHE A 34 -0.527 -0.973 6.155 1.00 0.00 C ATOM 432 C PHE A 34 -0.193 -0.426 4.766 1.00 0.00 C ATOM 433 O PHE A 34 0.489 -1.085 3.982 1.00 0.00 O ATOM 434 CB PHE A 34 0.104 -0.066 7.213 1.00 0.00 C ATOM 435 CG PHE A 34 -0.320 -0.392 8.646 1.00 0.00 C ATOM 436 CD1 PHE A 34 -1.519 0.044 9.117 1.00 0.00 C ATOM 437 CD2 PHE A 34 0.503 -1.119 9.449 1.00 0.00 C ATOM 438 CE1 PHE A 34 -1.912 -0.259 10.447 1.00 0.00 C ATOM 439 CE2 PHE A 34 0.108 -1.422 10.780 1.00 0.00 C ATOM 440 CZ PHE A 34 -1.090 -0.985 11.251 1.00 0.00 C ATOM 0 H PHE A 34 1.055 -2.325 6.398 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.612 -1.013 6.248 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.189 -0.141 7.140 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.160 0.969 6.994 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.172 0.621 8.479 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.455 -1.465 9.075 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.864 0.087 10.821 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.760 -2.000 11.418 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.389 -1.214 12.263 1.00 0.00 H new ATOM 449 N LEU A 35 -0.689 0.775 4.503 1.00 0.00 N ATOM 450 CA LEU A 35 -0.452 1.418 3.223 1.00 0.00 C ATOM 451 C LEU A 35 1.052 1.619 3.028 1.00 0.00 C ATOM 452 O LEU A 35 1.522 1.766 1.900 1.00 0.00 O ATOM 453 CB LEU A 35 -1.264 2.709 3.113 1.00 0.00 C ATOM 454 CG LEU A 35 -2.698 2.560 2.599 1.00 0.00 C ATOM 455 CD1 LEU A 35 -2.786 2.908 1.112 1.00 0.00 C ATOM 456 CD2 LEU A 35 -3.242 1.160 2.893 1.00 0.00 C ATOM 0 H LEU A 35 -1.254 1.319 5.155 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.797 0.782 2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.299 3.177 4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.732 3.394 2.453 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.329 3.270 3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.815 2.794 0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.466 3.939 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.140 2.240 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.262 1.080 2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.615 0.416 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.236 0.986 3.969 1.00 0.00 H new ATOM 467 N GLY A 36 1.765 1.621 4.144 1.00 0.00 N ATOM 468 CA GLY A 36 3.207 1.802 4.111 1.00 0.00 C ATOM 469 C GLY A 36 3.924 0.460 3.945 1.00 0.00 C ATOM 470 O GLY A 36 5.030 0.277 4.452 1.00 0.00 O ATOM 0 H GLY A 36 1.372 1.500 5.077 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.475 2.466 3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.538 2.284 5.031 1.00 0.00 H new ATOM 474 N GLU A 37 3.266 -0.443 3.234 1.00 0.00 N ATOM 475 CA GLU A 37 3.827 -1.762 2.996 1.00 0.00 C ATOM 476 C GLU A 37 4.725 -2.175 4.163 1.00 0.00 C ATOM 477 O GLU A 37 5.893 -2.507 3.965 1.00 0.00 O ATOM 478 CB GLU A 37 4.594 -1.800 1.673 1.00 0.00 C ATOM 479 CG GLU A 37 5.947 -1.098 1.803 1.00 0.00 C ATOM 480 CD GLU A 37 6.355 -0.443 0.482 1.00 0.00 C ATOM 481 OE1 GLU A 37 5.570 -0.443 -0.478 1.00 0.00 O ATOM 482 OE2 GLU A 37 7.533 0.080 0.474 1.00 0.00 O ATOM 0 H GLU A 37 2.349 -0.287 2.815 1.00 0.00 H new ATOM 0 HA GLU A 37 3.007 -2.477 2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.745 -2.835 1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.004 -1.319 0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.895 -0.342 2.587 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.707 -1.819 2.105 1.00 0.00 H new ATOM 488 N ASP A 38 4.145 -2.144 5.355 1.00 0.00 N ATOM 489 CA ASP A 38 4.879 -2.511 6.553 1.00 0.00 C ATOM 490 C ASP A 38 3.989 -3.379 7.445 1.00 0.00 C ATOM 491 O ASP A 38 2.780 -3.459 7.231 1.00 0.00 O ATOM 492 CB ASP A 38 5.284 -1.271 7.353 1.00 0.00 C ATOM 493 CG ASP A 38 4.183 -0.222 7.520 1.00 0.00 C ATOM 494 OD1 ASP A 38 3.943 0.600 6.623 1.00 0.00 O ATOM 495 OD2 ASP A 38 3.551 -0.270 8.644 1.00 0.00 O ATOM 0 H ASP A 38 3.176 -1.870 5.516 1.00 0.00 H new ATOM 0 HA ASP A 38 5.775 -3.051 6.247 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.617 -1.587 8.342 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.139 -0.804 6.863 1.00 0.00 H new ATOM 500 N LEU A 39 4.621 -4.007 8.426 1.00 0.00 N ATOM 501 CA LEU A 39 3.901 -4.866 9.351 1.00 0.00 C ATOM 502 C LEU A 39 4.320 -4.531 10.783 1.00 0.00 C ATOM 503 O LEU A 39 5.488 -4.679 11.142 1.00 0.00 O ATOM 504 CB LEU A 39 4.099 -6.337 8.980 1.00 0.00 C ATOM 505 CG LEU A 39 2.850 -7.218 9.040 1.00 0.00 C ATOM 506 CD1 LEU A 39 2.042 -6.940 10.310 1.00 0.00 C ATOM 507 CD2 LEU A 39 2.002 -7.056 7.776 1.00 0.00 C ATOM 0 H LEU A 39 5.624 -3.938 8.600 1.00 0.00 H new ATOM 0 HA LEU A 39 2.828 -4.685 9.282 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.505 -6.385 7.969 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.851 -6.761 9.646 1.00 0.00 H new ATOM 0 HG LEU A 39 3.170 -8.259 9.083 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.160 -7.580 10.327 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.657 -7.147 11.185 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.733 -5.895 10.323 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.120 -7.693 7.845 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.691 -6.016 7.677 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.590 -7.343 6.904 1.00 0.00 H new ATOM 518 N PHE A 40 3.345 -4.086 11.563 1.00 0.00 N ATOM 519 CA PHE A 40 3.600 -3.729 12.948 1.00 0.00 C ATOM 520 C PHE A 40 3.056 -4.798 13.898 1.00 0.00 C ATOM 521 O PHE A 40 2.855 -4.536 15.083 1.00 0.00 O ATOM 522 CB PHE A 40 2.869 -2.411 13.211 1.00 0.00 C ATOM 523 CG PHE A 40 1.525 -2.576 13.923 1.00 0.00 C ATOM 524 CD1 PHE A 40 0.544 -3.330 13.357 1.00 0.00 C ATOM 525 CD2 PHE A 40 1.310 -1.969 15.120 1.00 0.00 C ATOM 526 CE1 PHE A 40 -0.704 -3.483 14.018 1.00 0.00 C ATOM 527 CE2 PHE A 40 0.062 -2.122 15.781 1.00 0.00 C ATOM 528 CZ PHE A 40 -0.918 -2.876 15.216 1.00 0.00 C ATOM 0 H PHE A 40 2.378 -3.965 11.262 1.00 0.00 H new ATOM 0 HA PHE A 40 4.673 -3.641 13.119 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.510 -1.766 13.812 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.705 -1.902 12.261 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.714 -3.812 12.406 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.089 -1.370 15.569 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.483 -4.081 13.569 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.108 -1.639 16.732 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.867 -2.993 15.719 1.00 0.00 H new ATOM 537 N PHE A 41 2.834 -5.981 13.343 1.00 0.00 N ATOM 538 CA PHE A 41 2.318 -7.090 14.126 1.00 0.00 C ATOM 539 C PHE A 41 3.435 -8.071 14.489 1.00 0.00 C ATOM 540 O PHE A 41 3.191 -9.076 15.154 1.00 0.00 O ATOM 541 CB PHE A 41 1.285 -7.810 13.256 1.00 0.00 C ATOM 542 CG PHE A 41 0.039 -8.264 14.017 1.00 0.00 C ATOM 543 CD1 PHE A 41 0.115 -9.307 14.885 1.00 0.00 C ATOM 544 CD2 PHE A 41 -1.146 -7.624 13.824 1.00 0.00 C ATOM 545 CE1 PHE A 41 -1.043 -9.728 15.592 1.00 0.00 C ATOM 546 CE2 PHE A 41 -2.303 -8.045 14.530 1.00 0.00 C ATOM 547 CZ PHE A 41 -2.227 -9.089 15.400 1.00 0.00 C ATOM 0 H PHE A 41 3.002 -6.195 12.360 1.00 0.00 H new ATOM 0 HA PHE A 41 1.881 -6.719 15.053 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.982 -7.147 12.446 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.755 -8.680 12.797 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.055 -9.816 15.037 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.206 -6.796 13.134 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.982 -10.556 16.282 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.244 -7.537 14.377 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.107 -9.409 15.938 1.00 0.00 H new ATOM 556 N CYS A 42 4.637 -7.743 14.036 1.00 0.00 N ATOM 557 CA CYS A 42 5.792 -8.583 14.305 1.00 0.00 C ATOM 558 C CYS A 42 6.684 -7.863 15.318 1.00 0.00 C ATOM 559 O CYS A 42 7.073 -8.442 16.330 1.00 0.00 O ATOM 560 CB CYS A 42 6.549 -8.931 13.022 1.00 0.00 C ATOM 561 SG CYS A 42 6.186 -7.692 11.726 1.00 0.00 S ATOM 0 H CYS A 42 4.836 -6.908 13.485 1.00 0.00 H new ATOM 0 HA CYS A 42 5.464 -9.534 14.724 1.00 0.00 H new ATOM 0 HB2 CYS A 42 7.621 -8.960 13.219 1.00 0.00 H new ATOM 0 HB3 CYS A 42 6.261 -9.924 12.678 1.00 0.00 H new ATOM 0 HG CYS A 42 6.835 -7.996 10.641 1.00 0.00 H new ATOM 566 N CYS A 43 6.983 -6.609 15.008 1.00 0.00 N ATOM 567 CA CYS A 43 7.823 -5.804 15.878 1.00 0.00 C ATOM 568 C CYS A 43 6.949 -4.731 16.530 1.00 0.00 C ATOM 569 O CYS A 43 6.838 -4.674 17.754 1.00 0.00 O ATOM 570 CB CYS A 43 9.004 -5.195 15.119 1.00 0.00 C ATOM 571 SG CYS A 43 10.324 -6.444 14.910 1.00 0.00 S ATOM 0 H CYS A 43 6.658 -6.132 14.167 1.00 0.00 H new ATOM 0 HA CYS A 43 8.260 -6.435 16.652 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.674 -4.836 14.144 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.390 -4.333 15.662 1.00 0.00 H new ATOM 0 HG CYS A 43 10.546 -6.633 13.643 1.00 0.00 H new ATOM 576 N ASP A 44 6.351 -3.906 15.683 1.00 0.00 N ATOM 577 CA ASP A 44 5.490 -2.837 16.162 1.00 0.00 C ATOM 578 C ASP A 44 6.311 -1.870 17.016 1.00 0.00 C ATOM 579 O ASP A 44 5.753 -1.050 17.744 1.00 0.00 O ATOM 580 CB ASP A 44 4.357 -3.389 17.029 1.00 0.00 C ATOM 581 CG ASP A 44 4.471 -3.071 18.521 1.00 0.00 C ATOM 582 OD1 ASP A 44 5.527 -3.274 19.138 1.00 0.00 O ATOM 583 OD2 ASP A 44 3.403 -2.590 19.059 1.00 0.00 O ATOM 0 H ASP A 44 6.445 -3.956 14.669 1.00 0.00 H new ATOM 0 HA ASP A 44 5.066 -2.331 15.294 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.411 -2.993 16.660 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.319 -4.471 16.905 1.00 0.00 H new ATOM 588 N ILE A 45 7.625 -1.998 16.900 1.00 0.00 N ATOM 589 CA ILE A 45 8.529 -1.145 17.653 1.00 0.00 C ATOM 590 C ILE A 45 9.115 -0.082 16.722 1.00 0.00 C ATOM 591 O ILE A 45 8.891 1.111 16.917 1.00 0.00 O ATOM 592 CB ILE A 45 9.588 -1.987 18.369 1.00 0.00 C ATOM 593 CG1 ILE A 45 8.944 -2.910 19.407 1.00 0.00 C ATOM 594 CG2 ILE A 45 10.670 -1.099 18.984 1.00 0.00 C ATOM 595 CD1 ILE A 45 9.761 -4.191 19.582 1.00 0.00 C ATOM 0 H ILE A 45 8.085 -2.679 16.296 1.00 0.00 H new ATOM 0 HA ILE A 45 7.989 -0.618 18.439 1.00 0.00 H new ATOM 0 HB ILE A 45 10.076 -2.623 17.631 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.866 -2.391 20.362 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.930 -3.161 19.097 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.410 -1.722 19.487 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.156 -0.521 18.198 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.217 -0.420 19.706 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.282 -4.829 20.325 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.817 -4.720 18.631 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.767 -3.938 19.916 1.00 0.00 H new ATOM 606 N CYS A 46 9.856 -0.555 15.729 1.00 0.00 N ATOM 607 CA CYS A 46 10.477 0.341 14.768 1.00 0.00 C ATOM 608 C CYS A 46 9.505 0.543 13.603 1.00 0.00 C ATOM 609 O CYS A 46 9.716 1.410 12.757 1.00 0.00 O ATOM 610 CB CYS A 46 11.832 -0.189 14.294 1.00 0.00 C ATOM 611 SG CYS A 46 11.607 -1.765 13.392 1.00 0.00 S ATOM 0 H CYS A 46 10.040 -1.546 15.570 1.00 0.00 H new ATOM 0 HA CYS A 46 10.681 1.301 15.241 1.00 0.00 H new ATOM 0 HB2 CYS A 46 12.312 0.545 13.647 1.00 0.00 H new ATOM 0 HB3 CYS A 46 12.492 -0.340 15.148 1.00 0.00 H new ATOM 0 HG CYS A 46 12.763 -2.205 12.992 1.00 0.00 H new ATOM 616 N ALA A 47 8.460 -0.273 13.597 1.00 0.00 N ATOM 617 CA ALA A 47 7.455 -0.195 12.551 1.00 0.00 C ATOM 618 C ALA A 47 6.242 0.578 13.072 1.00 0.00 C ATOM 619 O ALA A 47 6.124 0.821 14.272 1.00 0.00 O ATOM 620 CB ALA A 47 7.092 -1.606 12.085 1.00 0.00 C ATOM 0 H ALA A 47 8.288 -0.991 14.300 1.00 0.00 H new ATOM 0 HA ALA A 47 7.842 0.344 11.686 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.338 -1.547 11.300 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.982 -2.101 11.697 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.697 -2.176 12.926 1.00 0.00 H new ATOM 626 N ALA A 48 5.369 0.942 12.144 1.00 0.00 N ATOM 627 CA ALA A 48 4.169 1.682 12.495 1.00 0.00 C ATOM 628 C ALA A 48 4.532 3.149 12.737 1.00 0.00 C ATOM 629 O ALA A 48 4.400 3.647 13.854 1.00 0.00 O ATOM 630 CB ALA A 48 3.508 1.036 13.713 1.00 0.00 C ATOM 0 H ALA A 48 5.469 0.738 11.150 1.00 0.00 H new ATOM 0 HA ALA A 48 3.447 1.651 11.679 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.608 1.592 13.976 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.243 0.005 13.479 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.202 1.050 14.554 1.00 0.00 H new ATOM 636 N GLU A 49 4.981 3.798 11.674 1.00 0.00 N ATOM 637 CA GLU A 49 5.363 5.197 11.757 1.00 0.00 C ATOM 638 C GLU A 49 4.134 6.094 11.606 1.00 0.00 C ATOM 639 O GLU A 49 3.240 5.799 10.813 1.00 0.00 O ATOM 640 CB GLU A 49 6.424 5.540 10.709 1.00 0.00 C ATOM 641 CG GLU A 49 7.824 5.175 11.206 1.00 0.00 C ATOM 642 CD GLU A 49 8.865 5.364 10.100 1.00 0.00 C ATOM 643 OE1 GLU A 49 9.839 6.110 10.286 1.00 0.00 O ATOM 644 OE2 GLU A 49 8.636 4.703 9.017 1.00 0.00 O ATOM 0 H GLU A 49 5.089 3.381 10.750 1.00 0.00 H new ATOM 0 HA GLU A 49 5.800 5.375 12.740 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.212 5.005 9.783 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.382 6.605 10.479 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.083 5.796 12.064 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.834 4.140 11.547 1.00 0.00 H new ATOM 650 N PHE A 50 4.126 7.170 12.377 1.00 0.00 N ATOM 651 CA PHE A 50 3.020 8.112 12.340 1.00 0.00 C ATOM 652 C PHE A 50 3.078 8.974 11.077 1.00 0.00 C ATOM 653 O PHE A 50 2.214 9.823 10.860 1.00 0.00 O ATOM 654 CB PHE A 50 3.159 9.015 13.566 1.00 0.00 C ATOM 655 CG PHE A 50 4.027 10.253 13.333 1.00 0.00 C ATOM 656 CD1 PHE A 50 5.307 10.113 12.895 1.00 0.00 C ATOM 657 CD2 PHE A 50 3.520 11.493 13.564 1.00 0.00 C ATOM 658 CE1 PHE A 50 6.114 11.262 12.678 1.00 0.00 C ATOM 659 CE2 PHE A 50 4.327 12.642 13.348 1.00 0.00 C ATOM 660 CZ PHE A 50 5.606 12.502 12.909 1.00 0.00 C ATOM 0 H PHE A 50 4.869 7.412 13.033 1.00 0.00 H new ATOM 0 HA PHE A 50 2.072 7.573 12.338 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.166 9.335 13.883 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.584 8.435 14.385 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.710 9.128 12.712 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.504 11.605 13.912 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.130 11.151 12.330 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.924 13.627 13.533 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.219 13.376 12.744 1.00 0.00 H new ATOM 669 N MET A 51 4.105 8.728 10.277 1.00 0.00 N ATOM 670 CA MET A 51 4.287 9.471 9.042 1.00 0.00 C ATOM 671 C MET A 51 3.229 9.082 8.007 1.00 0.00 C ATOM 672 O MET A 51 3.175 9.660 6.922 1.00 0.00 O ATOM 673 CB MET A 51 5.681 9.191 8.477 1.00 0.00 C ATOM 674 CG MET A 51 6.203 10.390 7.683 1.00 0.00 C ATOM 675 SD MET A 51 7.012 11.543 8.780 1.00 0.00 S ATOM 676 CE MET A 51 8.529 11.814 7.879 1.00 0.00 C ATOM 0 H MET A 51 4.820 8.024 10.460 1.00 0.00 H new ATOM 0 HA MET A 51 4.181 10.534 9.261 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.368 8.963 9.292 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.646 8.312 7.834 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.901 10.053 6.917 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.378 10.883 7.168 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.158 12.516 8.427 1.00 0.00 H new ATOM 0 HE2 MET A 51 9.057 10.868 7.763 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.300 12.224 6.896 1.00 0.00 H new ATOM 684 N ASN A 52 2.414 8.106 8.380 1.00 0.00 N ATOM 685 CA ASN A 52 1.360 7.634 7.497 1.00 0.00 C ATOM 686 C ASN A 52 0.019 8.208 7.957 1.00 0.00 C ATOM 687 O ASN A 52 -0.056 8.859 8.998 1.00 0.00 O ATOM 688 CB ASN A 52 1.257 6.108 7.531 1.00 0.00 C ATOM 689 CG ASN A 52 2.217 5.470 6.524 1.00 0.00 C ATOM 690 OD1 ASN A 52 3.404 5.751 6.495 1.00 0.00 O ATOM 691 ND2 ASN A 52 1.639 4.599 5.702 1.00 0.00 N ATOM 0 H ASN A 52 2.462 7.629 9.281 1.00 0.00 H new ATOM 0 HA ASN A 52 1.599 7.958 6.484 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.484 5.747 8.534 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.235 5.804 7.307 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.195 4.120 4.993 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.640 4.410 5.780 1.00 0.00 H new ATOM 697 N MET A 53 -1.005 7.948 7.159 1.00 0.00 N ATOM 698 CA MET A 53 -2.339 8.432 7.472 1.00 0.00 C ATOM 699 C MET A 53 -3.111 7.410 8.308 1.00 0.00 C ATOM 700 O MET A 53 -2.813 6.217 8.268 1.00 0.00 O ATOM 701 CB MET A 53 -3.100 8.707 6.173 1.00 0.00 C ATOM 702 CG MET A 53 -4.336 9.569 6.433 1.00 0.00 C ATOM 703 SD MET A 53 -4.388 10.929 5.278 1.00 0.00 S ATOM 704 CE MET A 53 -4.130 10.045 3.748 1.00 0.00 C ATOM 0 H MET A 53 -0.938 7.408 6.296 1.00 0.00 H new ATOM 0 HA MET A 53 -2.245 9.351 8.051 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.444 9.211 5.463 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.400 7.764 5.716 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.238 8.964 6.336 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.316 9.949 7.454 1.00 0.00 H new ATOM 0 HE1 MET A 53 -3.129 10.256 3.370 1.00 0.00 H new ATOM 0 HE2 MET A 53 -4.233 8.974 3.924 1.00 0.00 H new ATOM 0 HE3 MET A 53 -4.870 10.365 3.014 1.00 0.00 H new ATOM 712 N MET A 54 -4.088 7.914 9.047 1.00 0.00 N ATOM 713 CA MET A 54 -4.905 7.060 9.891 1.00 0.00 C ATOM 714 C MET A 54 -5.719 6.074 9.051 1.00 0.00 C ATOM 715 O MET A 54 -5.942 4.937 9.465 1.00 0.00 O ATOM 716 CB MET A 54 -5.853 7.924 10.726 1.00 0.00 C ATOM 717 CG MET A 54 -6.760 8.767 9.827 1.00 0.00 C ATOM 718 SD MET A 54 -6.136 10.437 9.728 1.00 0.00 S ATOM 719 CE MET A 54 -7.491 11.319 10.484 1.00 0.00 C ATOM 0 H MET A 54 -4.332 8.904 9.079 1.00 0.00 H new ATOM 0 HA MET A 54 -4.245 6.491 10.546 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.461 7.287 11.368 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.275 8.577 11.380 1.00 0.00 H new ATOM 0 HG2 MET A 54 -6.808 8.328 8.830 1.00 0.00 H new ATOM 0 HG3 MET A 54 -7.776 8.772 10.223 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.265 12.385 10.504 1.00 0.00 H new ATOM 0 HE2 MET A 54 -8.401 11.151 9.908 1.00 0.00 H new ATOM 0 HE3 MET A 54 -7.635 10.960 11.503 1.00 0.00 H new ATOM 727 N ASP A 55 -6.139 6.545 7.886 1.00 0.00 N ATOM 728 CA ASP A 55 -6.923 5.718 6.984 1.00 0.00 C ATOM 729 C ASP A 55 -6.118 4.470 6.613 1.00 0.00 C ATOM 730 O ASP A 55 -6.682 3.391 6.442 1.00 0.00 O ATOM 731 CB ASP A 55 -7.251 6.471 5.693 1.00 0.00 C ATOM 732 CG ASP A 55 -8.733 6.491 5.316 1.00 0.00 C ATOM 733 OD1 ASP A 55 -9.351 7.561 5.212 1.00 0.00 O ATOM 734 OD2 ASP A 55 -9.263 5.330 5.123 1.00 0.00 O ATOM 0 H ASP A 55 -5.951 7.488 7.546 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.850 5.450 7.491 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.902 7.499 5.791 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.689 6.021 4.875 1.00 0.00 H new ATOM 739 N GLU A 56 -4.812 4.661 6.500 1.00 0.00 N ATOM 740 CA GLU A 56 -3.924 3.564 6.152 1.00 0.00 C ATOM 741 C GLU A 56 -4.276 2.317 6.965 1.00 0.00 C ATOM 742 O GLU A 56 -4.341 1.215 6.421 1.00 0.00 O ATOM 743 CB GLU A 56 -2.460 3.957 6.359 1.00 0.00 C ATOM 744 CG GLU A 56 -2.124 5.240 5.596 1.00 0.00 C ATOM 745 CD GLU A 56 -2.822 5.267 4.235 1.00 0.00 C ATOM 746 OE1 GLU A 56 -4.056 5.366 4.173 1.00 0.00 O ATOM 747 OE2 GLU A 56 -2.034 5.182 3.216 1.00 0.00 O ATOM 0 H GLU A 56 -4.347 5.558 6.643 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.059 3.335 5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.265 4.100 7.422 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.811 3.148 6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.429 6.107 6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.045 5.313 5.457 1.00 0.00 H new ATOM 753 N ALA A 57 -4.494 2.532 8.254 1.00 0.00 N ATOM 754 CA ALA A 57 -4.838 1.439 9.147 1.00 0.00 C ATOM 755 C ALA A 57 -6.196 0.862 8.740 1.00 0.00 C ATOM 756 O ALA A 57 -6.362 -0.355 8.670 1.00 0.00 O ATOM 757 CB ALA A 57 -4.827 1.939 10.593 1.00 0.00 C ATOM 0 H ALA A 57 -4.439 3.447 8.701 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.103 0.637 9.073 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.085 1.119 11.263 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.833 2.312 10.841 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.555 2.743 10.706 1.00 0.00 H new ATOM 763 N PHE A 58 -7.133 1.763 8.483 1.00 0.00 N ATOM 764 CA PHE A 58 -8.471 1.358 8.085 1.00 0.00 C ATOM 765 C PHE A 58 -8.419 0.353 6.933 1.00 0.00 C ATOM 766 O PHE A 58 -9.200 -0.598 6.899 1.00 0.00 O ATOM 767 CB PHE A 58 -9.198 2.620 7.613 1.00 0.00 C ATOM 768 CG PHE A 58 -10.718 2.470 7.538 1.00 0.00 C ATOM 769 CD1 PHE A 58 -11.453 2.424 8.682 1.00 0.00 C ATOM 770 CD2 PHE A 58 -11.335 2.384 6.329 1.00 0.00 C ATOM 771 CE1 PHE A 58 -12.865 2.286 8.612 1.00 0.00 C ATOM 772 CE2 PHE A 58 -12.746 2.246 6.259 1.00 0.00 C ATOM 773 CZ PHE A 58 -13.482 2.200 7.403 1.00 0.00 C ATOM 0 H PHE A 58 -6.992 2.772 8.543 1.00 0.00 H new ATOM 0 HA PHE A 58 -8.981 0.883 8.923 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.957 3.440 8.289 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -8.821 2.897 6.628 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -10.963 2.492 9.642 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -10.751 2.421 5.421 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -13.449 2.249 9.520 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -13.235 2.178 5.299 1.00 0.00 H new ATOM 0 HZ PHE A 58 -14.556 2.095 7.351 1.00 0.00 H new ATOM 782 N LYS A 59 -7.492 0.596 6.019 1.00 0.00 N ATOM 783 CA LYS A 59 -7.329 -0.278 4.869 1.00 0.00 C ATOM 784 C LYS A 59 -7.370 -1.736 5.331 1.00 0.00 C ATOM 785 O LYS A 59 -8.145 -2.536 4.808 1.00 0.00 O ATOM 786 CB LYS A 59 -6.061 0.087 4.094 1.00 0.00 C ATOM 787 CG LYS A 59 -5.796 -0.918 2.972 1.00 0.00 C ATOM 788 CD LYS A 59 -6.837 -0.783 1.859 1.00 0.00 C ATOM 789 CE LYS A 59 -6.598 0.484 1.035 1.00 0.00 C ATOM 790 NZ LYS A 59 -5.449 0.299 0.122 1.00 0.00 N ATOM 0 H LYS A 59 -6.846 1.385 6.051 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.153 -0.143 4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.163 1.088 3.674 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.209 0.111 4.774 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.798 -0.758 2.563 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.817 -1.931 3.374 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.795 -1.657 1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.837 -0.756 2.293 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.492 0.725 0.460 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.410 1.327 1.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.663 0.910 0.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.144 -0.695 0.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.731 0.552 -0.847 1.00 0.00 H new ATOM 799 N HIS A 60 -6.526 -2.039 6.306 1.00 0.00 N ATOM 800 CA HIS A 60 -6.456 -3.386 6.845 1.00 0.00 C ATOM 801 C HIS A 60 -7.870 -3.920 7.077 1.00 0.00 C ATOM 802 O HIS A 60 -8.227 -4.983 6.573 1.00 0.00 O ATOM 803 CB HIS A 60 -5.593 -3.422 8.107 1.00 0.00 C ATOM 804 CG HIS A 60 -6.141 -4.308 9.201 1.00 0.00 C ATOM 805 ND1 HIS A 60 -6.448 -5.637 9.201 1.00 0.00 N flip ATOM 806 CD2 HIS A 60 -6.434 -3.840 10.470 1.00 0.00 C flip ATOM 807 CE1 HIS A 60 -6.901 -5.964 10.405 1.00 0.00 C flip ATOM 808 NE2 HIS A 60 -6.894 -4.850 11.193 1.00 0.00 N flip ATOM 0 H HIS A 60 -5.884 -1.374 6.737 1.00 0.00 H new ATOM 0 HA HIS A 60 -5.971 -4.045 6.125 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -4.593 -3.766 7.841 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -5.489 -2.408 8.493 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -6.309 -2.824 10.813 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -7.222 -6.949 10.710 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -7.191 -4.803 12.168 1.00 0.00 H new ATOM 815 N THR A 61 -8.638 -3.157 7.841 1.00 0.00 N ATOM 816 CA THR A 61 -10.006 -3.540 8.146 1.00 0.00 C ATOM 817 C THR A 61 -10.854 -3.547 6.874 1.00 0.00 C ATOM 818 O THR A 61 -11.751 -4.376 6.726 1.00 0.00 O ATOM 819 CB THR A 61 -10.533 -2.591 9.224 1.00 0.00 C ATOM 820 OG1 THR A 61 -11.286 -3.435 10.092 1.00 0.00 O ATOM 821 CG2 THR A 61 -11.565 -1.602 8.679 1.00 0.00 C ATOM 0 H THR A 61 -8.339 -2.275 8.258 1.00 0.00 H new ATOM 0 HA THR A 61 -10.055 -4.557 8.536 1.00 0.00 H new ATOM 0 HB THR A 61 -9.700 -2.042 9.663 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.663 -2.901 10.822 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.907 -0.952 9.484 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.111 -0.998 7.893 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.414 -2.150 8.270 1.00 0.00 H new ATOM 829 N ALA A 62 -10.542 -2.613 5.987 1.00 0.00 N ATOM 830 CA ALA A 62 -11.265 -2.500 4.733 1.00 0.00 C ATOM 831 C ALA A 62 -11.034 -3.764 3.901 1.00 0.00 C ATOM 832 O ALA A 62 -11.981 -4.349 3.377 1.00 0.00 O ATOM 833 CB ALA A 62 -10.824 -1.232 4.001 1.00 0.00 C ATOM 0 H ALA A 62 -9.797 -1.927 6.113 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.336 -2.415 4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.367 -1.148 3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.036 -0.361 4.621 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.754 -1.282 3.799 1.00 0.00 H new ATOM 839 N ARG A 63 -9.769 -4.148 3.805 1.00 0.00 N ATOM 840 CA ARG A 63 -9.402 -5.331 3.046 1.00 0.00 C ATOM 841 C ARG A 63 -9.482 -6.576 3.932 1.00 0.00 C ATOM 842 O ARG A 63 -9.039 -7.653 3.536 1.00 0.00 O ATOM 843 CB ARG A 63 -7.985 -5.205 2.482 1.00 0.00 C ATOM 844 CG ARG A 63 -6.942 -5.269 3.600 1.00 0.00 C ATOM 845 CD ARG A 63 -5.851 -6.291 3.273 1.00 0.00 C ATOM 846 NE ARG A 63 -5.167 -6.716 4.515 1.00 0.00 N ATOM 847 CZ ARG A 63 -4.366 -5.916 5.249 1.00 0.00 C ATOM 848 NH1 ARG A 63 -4.140 -4.640 4.872 1.00 0.00 N ATOM 849 NH2 ARG A 63 -3.806 -6.401 6.342 1.00 0.00 N ATOM 0 H ARG A 63 -8.986 -3.661 4.240 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.104 -5.425 2.217 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.803 -6.005 1.764 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.887 -4.263 1.942 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.494 -4.285 3.741 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.426 -5.536 4.539 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.289 -7.156 2.775 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.130 -5.856 2.581 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.310 -7.674 4.836 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.576 -4.273 4.026 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.533 -4.042 5.433 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.982 -7.367 6.620 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.198 -5.810 6.909 1.00 0.00 H new ATOM 859 N HIS A 64 -10.050 -6.386 5.114 1.00 0.00 N ATOM 860 CA HIS A 64 -10.193 -7.480 6.060 1.00 0.00 C ATOM 861 C HIS A 64 -11.465 -8.268 5.743 1.00 0.00 C ATOM 862 O HIS A 64 -11.438 -9.497 5.669 1.00 0.00 O ATOM 863 CB HIS A 64 -10.159 -6.963 7.499 1.00 0.00 C ATOM 864 CG HIS A 64 -10.488 -8.011 8.536 1.00 0.00 C ATOM 865 ND1 HIS A 64 -11.369 -7.782 9.578 1.00 0.00 N ATOM 866 CD2 HIS A 64 -10.045 -9.293 8.678 1.00 0.00 C ATOM 867 CE1 HIS A 64 -11.445 -8.884 10.310 1.00 0.00 C ATOM 868 NE2 HIS A 64 -10.624 -9.819 9.751 1.00 0.00 N ATOM 0 H HIS A 64 -10.417 -5.491 5.438 1.00 0.00 H new ATOM 0 HA HIS A 64 -9.349 -8.163 5.962 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -9.168 -6.560 7.706 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.865 -6.138 7.595 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.343 -9.795 8.029 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.051 -9.018 11.194 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -10.479 -10.766 10.100 1.00 0.00 H new ATOM 875 N ASN A 65 -12.551 -7.530 5.563 1.00 0.00 N ATOM 876 CA ASN A 65 -13.832 -8.145 5.255 1.00 0.00 C ATOM 877 C ASN A 65 -14.263 -7.736 3.845 1.00 0.00 C ATOM 878 O ASN A 65 -14.453 -8.589 2.979 1.00 0.00 O ATOM 879 CB ASN A 65 -14.913 -7.683 6.233 1.00 0.00 C ATOM 880 CG ASN A 65 -15.069 -8.674 7.388 1.00 0.00 C ATOM 881 OD1 ASN A 65 -14.108 -9.102 8.008 1.00 0.00 O ATOM 882 ND2 ASN A 65 -16.328 -9.015 7.642 1.00 0.00 N ATOM 0 H ASN A 65 -12.570 -6.512 5.624 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.715 -9.226 5.331 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -14.656 -6.699 6.626 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.863 -7.579 5.708 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -16.537 -9.672 8.394 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.086 -8.620 7.085 1.00 0.00 H new ATOM 888 N VAL A 66 -14.406 -6.432 3.659 1.00 0.00 N ATOM 889 CA VAL A 66 -14.811 -5.900 2.370 1.00 0.00 C ATOM 890 C VAL A 66 -13.567 -5.504 1.572 1.00 0.00 C ATOM 891 O VAL A 66 -12.484 -6.042 1.797 1.00 0.00 O ATOM 892 CB VAL A 66 -15.790 -4.740 2.566 1.00 0.00 C ATOM 893 CG1 VAL A 66 -16.745 -4.622 1.377 1.00 0.00 C ATOM 894 CG2 VAL A 66 -16.563 -4.892 3.878 1.00 0.00 C ATOM 0 H VAL A 66 -14.248 -5.728 4.380 1.00 0.00 H new ATOM 0 HA VAL A 66 -15.339 -6.659 1.793 1.00 0.00 H new ATOM 0 HB VAL A 66 -15.211 -3.818 2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -17.430 -3.790 1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -16.172 -4.446 0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -17.314 -5.546 1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -17.252 -4.055 3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -17.125 -5.826 3.863 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -15.863 -4.904 4.713 1.00 0.00 H new ATOM 904 N ASP A 67 -13.764 -4.566 0.657 1.00 0.00 N ATOM 905 CA ASP A 67 -12.671 -4.092 -0.176 1.00 0.00 C ATOM 906 C ASP A 67 -12.723 -2.565 -0.255 1.00 0.00 C ATOM 907 O ASP A 67 -13.784 -1.987 -0.487 1.00 0.00 O ATOM 908 CB ASP A 67 -12.782 -4.644 -1.598 1.00 0.00 C ATOM 909 CG ASP A 67 -11.547 -5.393 -2.099 1.00 0.00 C ATOM 910 OD1 ASP A 67 -10.405 -4.965 -1.877 1.00 0.00 O ATOM 911 OD2 ASP A 67 -11.796 -6.478 -2.753 1.00 0.00 O ATOM 0 H ASP A 67 -14.664 -4.122 0.474 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.736 -4.431 0.269 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.639 -5.315 -1.645 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.987 -3.817 -2.278 1.00 0.00 H new ATOM 916 N GLU A 68 -11.563 -1.955 -0.058 1.00 0.00 N ATOM 917 CA GLU A 68 -11.463 -0.506 -0.104 1.00 0.00 C ATOM 918 C GLU A 68 -10.123 -0.086 -0.711 1.00 0.00 C ATOM 919 O GLU A 68 -9.091 -0.695 -0.430 1.00 0.00 O ATOM 920 CB GLU A 68 -11.650 0.102 1.287 1.00 0.00 C ATOM 921 CG GLU A 68 -11.872 1.613 1.200 1.00 0.00 C ATOM 922 CD GLU A 68 -13.117 2.030 1.986 1.00 0.00 C ATOM 923 OE1 GLU A 68 -13.461 1.387 2.989 1.00 0.00 O ATOM 924 OE2 GLU A 68 -13.734 3.063 1.522 1.00 0.00 O ATOM 0 H GLU A 68 -10.685 -2.438 0.134 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.263 -0.126 -0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.501 -0.366 1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.772 -0.105 1.899 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.999 2.136 1.591 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.980 1.909 0.157 1.00 0.00 H new ATOM 930 N LEU A 69 -10.180 0.952 -1.533 1.00 0.00 N ATOM 931 CA LEU A 69 -8.983 1.460 -2.182 1.00 0.00 C ATOM 932 C LEU A 69 -8.966 2.988 -2.085 1.00 0.00 C ATOM 933 O LEU A 69 -9.952 3.645 -2.413 1.00 0.00 O ATOM 934 CB LEU A 69 -8.886 0.933 -3.615 1.00 0.00 C ATOM 935 CG LEU A 69 -10.154 0.292 -4.182 1.00 0.00 C ATOM 936 CD1 LEU A 69 -10.407 -1.076 -3.548 1.00 0.00 C ATOM 937 CD2 LEU A 69 -11.356 1.226 -4.027 1.00 0.00 C ATOM 0 H LEU A 69 -11.037 1.455 -1.764 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.090 1.098 -1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.598 1.759 -4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.082 0.199 -3.657 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.007 0.130 -5.250 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.314 -1.510 -3.969 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.562 -1.734 -3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.525 -0.961 -2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.245 0.747 -4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.516 1.441 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.165 2.156 -4.562 1.00 0.00 H new ATOM 948 N HIS A 70 -7.833 3.508 -1.635 1.00 0.00 N ATOM 949 CA HIS A 70 -7.674 4.944 -1.492 1.00 0.00 C ATOM 950 C HIS A 70 -6.232 5.336 -1.816 1.00 0.00 C ATOM 951 O HIS A 70 -5.295 4.634 -1.441 1.00 0.00 O ATOM 952 CB HIS A 70 -8.114 5.403 -0.100 1.00 0.00 C ATOM 953 CG HIS A 70 -7.371 6.615 0.410 1.00 0.00 C ATOM 954 ND1 HIS A 70 -6.668 6.616 1.603 1.00 0.00 N ATOM 955 CD2 HIS A 70 -7.228 7.862 -0.123 1.00 0.00 C ATOM 956 CE1 HIS A 70 -6.131 7.815 1.770 1.00 0.00 C ATOM 957 NE2 HIS A 70 -6.479 8.587 0.700 1.00 0.00 N ATOM 0 H HIS A 70 -7.017 2.960 -1.365 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.322 5.457 -2.203 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -9.181 5.626 -0.122 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.975 4.582 0.603 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -6.579 5.828 2.244 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.652 8.202 -1.056 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.524 8.127 2.607 1.00 0.00 H new ATOM 964 N ILE A 71 -6.099 6.456 -2.513 1.00 0.00 N ATOM 965 CA ILE A 71 -4.787 6.950 -2.893 1.00 0.00 C ATOM 966 C ILE A 71 -4.714 8.453 -2.622 1.00 0.00 C ATOM 967 O ILE A 71 -5.600 9.204 -3.026 1.00 0.00 O ATOM 968 CB ILE A 71 -4.470 6.569 -4.341 1.00 0.00 C ATOM 969 CG1 ILE A 71 -5.391 7.307 -5.315 1.00 0.00 C ATOM 970 CG2 ILE A 71 -4.526 5.053 -4.535 1.00 0.00 C ATOM 971 CD1 ILE A 71 -4.581 8.125 -6.323 1.00 0.00 C ATOM 0 H ILE A 71 -6.879 7.035 -2.824 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.013 6.479 -2.287 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.450 6.883 -4.562 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.017 6.589 -5.844 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.060 7.965 -4.761 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.297 4.810 -5.573 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.797 4.575 -3.881 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.525 4.691 -4.290 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.260 8.639 -7.003 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.974 8.859 -5.792 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.931 7.460 -6.892 1.00 0.00 H new ATOM 982 N ASP A 72 -3.650 8.848 -1.939 1.00 0.00 N ATOM 983 CA ASP A 72 -3.449 10.249 -1.609 1.00 0.00 C ATOM 984 C ASP A 72 -1.954 10.572 -1.658 1.00 0.00 C ATOM 985 O ASP A 72 -1.129 9.771 -1.223 1.00 0.00 O ATOM 986 CB ASP A 72 -3.954 10.560 -0.199 1.00 0.00 C ATOM 987 CG ASP A 72 -3.322 11.790 0.457 1.00 0.00 C ATOM 988 OD1 ASP A 72 -2.185 11.738 0.949 1.00 0.00 O ATOM 989 OD2 ASP A 72 -4.059 12.849 0.451 1.00 0.00 O ATOM 0 H ASP A 72 -2.917 8.222 -1.605 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.003 10.848 -2.331 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.034 10.703 -0.239 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.770 9.693 0.436 1.00 0.00 H new ATOM 994 N GLY A 73 -1.652 11.747 -2.191 1.00 0.00 N ATOM 995 CA GLY A 73 -0.271 12.184 -2.303 1.00 0.00 C ATOM 996 C GLY A 73 -0.121 13.642 -1.862 1.00 0.00 C ATOM 997 O GLY A 73 -0.868 14.510 -2.311 1.00 0.00 O ATOM 0 H GLY A 73 -2.340 12.409 -2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.367 11.547 -1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.066 12.075 -3.334 1.00 0.00 H new ATOM 1001 N ASN A 74 0.850 13.865 -0.989 1.00 0.00 N ATOM 1002 CA ASN A 74 1.107 15.203 -0.483 1.00 0.00 C ATOM 1003 C ASN A 74 2.614 15.393 -0.301 1.00 0.00 C ATOM 1004 O ASN A 74 3.308 14.485 0.152 1.00 0.00 O ATOM 1005 CB ASN A 74 0.437 15.415 0.877 1.00 0.00 C ATOM 1006 CG ASN A 74 -0.526 14.271 1.199 1.00 0.00 C ATOM 1007 OD1 ASN A 74 -1.458 13.985 0.466 1.00 0.00 O ATOM 1008 ND2 ASN A 74 -0.249 13.634 2.333 1.00 0.00 N ATOM 0 H ASN A 74 1.468 13.143 -0.619 1.00 0.00 H new ATOM 0 HA ASN A 74 0.704 15.918 -1.200 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.198 15.484 1.654 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.104 16.361 0.876 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.833 12.854 2.636 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.547 13.925 2.900 1.00 0.00 H new ATOM 1014 N TYR A 75 3.076 16.580 -0.665 1.00 0.00 N ATOM 1015 CA TYR A 75 4.488 16.902 -0.548 1.00 0.00 C ATOM 1016 C TYR A 75 4.891 17.084 0.916 1.00 0.00 C ATOM 1017 O TYR A 75 6.061 17.307 1.220 1.00 0.00 O ATOM 1018 CB TYR A 75 4.682 18.228 -1.286 1.00 0.00 C ATOM 1019 CG TYR A 75 4.256 18.190 -2.756 1.00 0.00 C ATOM 1020 CD1 TYR A 75 5.161 17.816 -3.727 1.00 0.00 C ATOM 1021 CD2 TYR A 75 2.966 18.531 -3.109 1.00 0.00 C ATOM 1022 CE1 TYR A 75 4.760 17.779 -5.110 1.00 0.00 C ATOM 1023 CE2 TYR A 75 2.566 18.496 -4.492 1.00 0.00 C ATOM 1024 CZ TYR A 75 3.482 18.122 -5.423 1.00 0.00 C ATOM 1025 OH TYR A 75 3.103 18.088 -6.730 1.00 0.00 O ATOM 0 H TYR A 75 2.497 17.331 -1.041 1.00 0.00 H new ATOM 0 HA TYR A 75 5.099 16.100 -0.962 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.113 19.004 -0.773 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.733 18.513 -1.230 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.171 17.551 -3.450 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.257 18.824 -2.349 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.458 17.486 -5.880 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.560 18.761 -4.783 1.00 0.00 H new ATOM 0 HH TYR A 75 2.163 18.356 -6.805 1.00 0.00 H new ATOM 1034 N GLN A 76 3.896 16.983 1.786 1.00 0.00 N ATOM 1035 CA GLN A 76 4.131 17.133 3.212 1.00 0.00 C ATOM 1036 C GLN A 76 4.037 15.777 3.912 1.00 0.00 C ATOM 1037 O GLN A 76 4.400 15.650 5.081 1.00 0.00 O ATOM 1038 CB GLN A 76 3.152 18.137 3.826 1.00 0.00 C ATOM 1039 CG GLN A 76 3.581 19.575 3.528 1.00 0.00 C ATOM 1040 CD GLN A 76 4.459 20.129 4.650 1.00 0.00 C ATOM 1041 OE1 GLN A 76 4.470 19.638 5.767 1.00 0.00 O ATOM 1042 NE2 GLN A 76 5.195 21.179 4.295 1.00 0.00 N ATOM 0 H GLN A 76 2.926 16.799 1.531 1.00 0.00 H new ATOM 0 HA GLN A 76 5.139 17.523 3.355 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.151 17.963 3.430 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.099 17.986 4.904 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.127 19.607 2.585 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.699 20.204 3.408 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.140 21.542 3.343 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.814 21.621 4.974 1.00 0.00 H new ATOM 1049 N LEU A 77 3.547 14.796 3.169 1.00 0.00 N ATOM 1050 CA LEU A 77 3.401 13.452 3.703 1.00 0.00 C ATOM 1051 C LEU A 77 4.688 13.053 4.426 1.00 0.00 C ATOM 1052 O LEU A 77 4.687 12.859 5.641 1.00 0.00 O ATOM 1053 CB LEU A 77 2.989 12.478 2.599 1.00 0.00 C ATOM 1054 CG LEU A 77 2.616 11.066 3.054 1.00 0.00 C ATOM 1055 CD1 LEU A 77 1.755 10.360 2.005 1.00 0.00 C ATOM 1056 CD2 LEU A 77 3.865 10.256 3.409 1.00 0.00 C ATOM 0 H LEU A 77 3.246 14.905 2.201 1.00 0.00 H new ATOM 0 HA LEU A 77 2.598 13.420 4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.138 12.903 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.808 12.403 1.884 1.00 0.00 H new ATOM 0 HG LEU A 77 2.016 11.148 3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.504 9.358 2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.839 10.928 1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.308 10.290 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.571 9.256 3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.511 10.182 2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.403 10.752 4.217 1.00 0.00 H new ATOM 1067 N GLY A 78 5.756 12.942 3.650 1.00 0.00 N ATOM 1068 CA GLY A 78 7.047 12.569 4.202 1.00 0.00 C ATOM 1069 C GLY A 78 7.978 12.041 3.109 1.00 0.00 C ATOM 1070 O GLY A 78 8.799 11.160 3.361 1.00 0.00 O ATOM 0 H GLY A 78 5.754 13.104 2.643 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.502 13.432 4.687 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.912 11.807 4.969 1.00 0.00 H new ATOM 1074 N ARG A 79 7.819 12.600 1.919 1.00 0.00 N ATOM 1075 CA ARG A 79 8.636 12.196 0.788 1.00 0.00 C ATOM 1076 C ARG A 79 8.671 10.670 0.676 1.00 0.00 C ATOM 1077 O ARG A 79 9.744 10.073 0.604 1.00 0.00 O ATOM 1078 CB ARG A 79 10.065 12.723 0.923 1.00 0.00 C ATOM 1079 CG ARG A 79 10.519 13.415 -0.364 1.00 0.00 C ATOM 1080 CD ARG A 79 11.101 12.405 -1.355 1.00 0.00 C ATOM 1081 NE ARG A 79 12.456 11.995 -0.922 1.00 0.00 N ATOM 1082 CZ ARG A 79 13.018 10.805 -1.221 1.00 0.00 C ATOM 1083 NH1 ARG A 79 12.345 9.895 -1.957 1.00 0.00 N ATOM 1084 NH2 ARG A 79 14.235 10.544 -0.782 1.00 0.00 N ATOM 0 H ARG A 79 7.136 13.330 1.713 1.00 0.00 H new ATOM 0 HA ARG A 79 8.189 12.620 -0.111 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.121 13.424 1.756 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.740 11.899 1.154 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.675 13.932 -0.820 1.00 0.00 H new ATOM 0 HG3 ARG A 79 11.267 14.172 -0.129 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.452 11.532 -1.421 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.146 12.845 -2.351 1.00 0.00 H new ATOM 0 HE ARG A 79 12.999 12.653 -0.363 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.404 10.105 -2.292 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.777 8.998 -2.179 1.00 0.00 H new ATOM 0 HH21 ARG A 79 14.736 11.237 -0.226 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.674 9.649 -0.999 1.00 0.00 H new ATOM 1094 N ASN A 80 7.484 10.082 0.665 1.00 0.00 N ATOM 1095 CA ASN A 80 7.365 8.638 0.565 1.00 0.00 C ATOM 1096 C ASN A 80 6.673 8.277 -0.752 1.00 0.00 C ATOM 1097 O ASN A 80 5.536 8.683 -0.990 1.00 0.00 O ATOM 1098 CB ASN A 80 6.524 8.073 1.711 1.00 0.00 C ATOM 1099 CG ASN A 80 7.315 7.037 2.513 1.00 0.00 C ATOM 1100 OD1 ASN A 80 8.337 6.530 2.083 1.00 0.00 O ATOM 1101 ND2 ASN A 80 6.786 6.754 3.700 1.00 0.00 N ATOM 0 H ASN A 80 6.596 10.580 0.724 1.00 0.00 H new ATOM 0 HA ASN A 80 8.368 8.214 0.611 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.208 8.883 2.368 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.619 7.615 1.311 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.239 6.075 4.312 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.927 7.216 3.999 1.00 0.00 H new ATOM 1107 N VAL A 81 7.388 7.521 -1.571 1.00 0.00 N ATOM 1108 CA VAL A 81 6.857 7.102 -2.857 1.00 0.00 C ATOM 1109 C VAL A 81 6.697 5.581 -2.867 1.00 0.00 C ATOM 1110 O VAL A 81 7.685 4.848 -2.884 1.00 0.00 O ATOM 1111 CB VAL A 81 7.753 7.616 -3.986 1.00 0.00 C ATOM 1112 CG1 VAL A 81 7.745 9.145 -4.039 1.00 0.00 C ATOM 1113 CG2 VAL A 81 9.178 7.079 -3.842 1.00 0.00 C ATOM 0 H VAL A 81 8.331 7.188 -1.369 1.00 0.00 H new ATOM 0 HA VAL A 81 5.870 7.534 -3.021 1.00 0.00 H new ATOM 0 HB VAL A 81 7.350 7.247 -4.929 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.390 9.484 -4.850 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.728 9.498 -4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.112 9.544 -3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.794 7.459 -4.657 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.595 7.405 -2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.162 5.990 -3.877 1.00 0.00 H new ATOM 1123 N LEU A 82 5.444 5.149 -2.855 1.00 0.00 N ATOM 1124 CA LEU A 82 5.142 3.729 -2.863 1.00 0.00 C ATOM 1125 C LEU A 82 4.213 3.415 -4.038 1.00 0.00 C ATOM 1126 O LEU A 82 3.108 3.951 -4.121 1.00 0.00 O ATOM 1127 CB LEU A 82 4.586 3.292 -1.506 1.00 0.00 C ATOM 1128 CG LEU A 82 5.458 3.608 -0.291 1.00 0.00 C ATOM 1129 CD1 LEU A 82 4.665 4.376 0.769 1.00 0.00 C ATOM 1130 CD2 LEU A 82 6.091 2.336 0.278 1.00 0.00 C ATOM 0 H LEU A 82 4.626 5.759 -2.840 1.00 0.00 H new ATOM 0 HA LEU A 82 6.052 3.147 -3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.615 3.766 -1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.415 2.216 -1.535 1.00 0.00 H new ATOM 0 HG LEU A 82 6.273 4.255 -0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.309 4.588 1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.304 5.313 0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.816 3.775 1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.706 2.590 1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.306 1.644 0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.713 1.866 -0.484 1.00 0.00 H new ATOM 1141 N LEU A 83 4.694 2.548 -4.917 1.00 0.00 N ATOM 1142 CA LEU A 83 3.921 2.157 -6.083 1.00 0.00 C ATOM 1143 C LEU A 83 3.576 0.670 -5.986 1.00 0.00 C ATOM 1144 O LEU A 83 4.453 -0.183 -6.112 1.00 0.00 O ATOM 1145 CB LEU A 83 4.662 2.533 -7.368 1.00 0.00 C ATOM 1146 CG LEU A 83 4.007 2.085 -8.676 1.00 0.00 C ATOM 1147 CD1 LEU A 83 4.501 2.927 -9.854 1.00 0.00 C ATOM 1148 CD2 LEU A 83 4.222 0.588 -8.911 1.00 0.00 C ATOM 0 H LEU A 83 5.610 2.105 -4.845 1.00 0.00 H new ATOM 0 HA LEU A 83 2.978 2.702 -6.114 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.776 3.617 -7.394 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.665 2.108 -7.323 1.00 0.00 H new ATOM 0 HG LEU A 83 2.932 2.248 -8.593 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.020 2.587 -10.771 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.254 3.975 -9.681 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.581 2.820 -9.950 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.747 0.295 -9.847 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.290 0.378 -8.965 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.782 0.024 -8.089 1.00 0.00 H new ATOM 1159 N LYS A 84 2.298 0.405 -5.761 1.00 0.00 N ATOM 1160 CA LYS A 84 1.826 -0.965 -5.645 1.00 0.00 C ATOM 1161 C LYS A 84 0.694 -1.197 -6.648 1.00 0.00 C ATOM 1162 O LYS A 84 -0.336 -0.526 -6.593 1.00 0.00 O ATOM 1163 CB LYS A 84 1.440 -1.278 -4.198 1.00 0.00 C ATOM 1164 CG LYS A 84 1.605 -2.769 -3.897 1.00 0.00 C ATOM 1165 CD LYS A 84 2.428 -2.984 -2.626 1.00 0.00 C ATOM 1166 CE LYS A 84 1.530 -3.386 -1.454 1.00 0.00 C ATOM 1167 NZ LYS A 84 1.161 -4.816 -1.550 1.00 0.00 N ATOM 0 H LYS A 84 1.574 1.116 -5.656 1.00 0.00 H new ATOM 0 HA LYS A 84 2.623 -1.665 -5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.061 -0.695 -3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.407 -0.980 -4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.624 -3.231 -3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.093 -3.262 -4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.175 -3.758 -2.799 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.968 -2.070 -2.379 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.046 -3.200 -0.512 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.630 -2.772 -1.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.552 -5.072 -0.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.650 -4.984 -2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.022 -5.399 -1.531 1.00 0.00 H new ATOM 1176 N ASN A 85 0.922 -2.149 -7.541 1.00 0.00 N ATOM 1177 CA ASN A 85 -0.066 -2.476 -8.555 1.00 0.00 C ATOM 1178 C ASN A 85 -0.570 -3.902 -8.325 1.00 0.00 C ATOM 1179 O ASN A 85 0.180 -4.864 -8.488 1.00 0.00 O ATOM 1180 CB ASN A 85 0.541 -2.410 -9.957 1.00 0.00 C ATOM 1181 CG ASN A 85 1.526 -1.245 -10.073 1.00 0.00 C ATOM 1182 OD1 ASN A 85 2.708 -1.420 -10.319 1.00 0.00 O ATOM 1183 ND2 ASN A 85 0.975 -0.049 -9.884 1.00 0.00 N ATOM 0 H ASN A 85 1.777 -2.704 -7.583 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.879 -1.754 -8.480 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.052 -3.347 -10.181 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -0.252 -2.295 -10.696 1.00 0.00 H new ATOM 0 HD21 ASN A 85 1.549 0.792 -9.942 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -0.022 0.027 -9.681 1.00 0.00 H new ATOM 1189 N GLY A 86 -1.838 -3.995 -7.951 1.00 0.00 N ATOM 1190 CA GLY A 86 -2.451 -5.288 -7.698 1.00 0.00 C ATOM 1191 C GLY A 86 -3.566 -5.572 -8.707 1.00 0.00 C ATOM 1192 O GLY A 86 -4.606 -4.917 -8.689 1.00 0.00 O ATOM 0 H GLY A 86 -2.458 -3.196 -7.817 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.695 -6.071 -7.756 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.856 -5.311 -6.686 1.00 0.00 H new ATOM 1196 N GLU A 87 -3.310 -6.552 -9.562 1.00 0.00 N ATOM 1197 CA GLU A 87 -4.278 -6.932 -10.577 1.00 0.00 C ATOM 1198 C GLU A 87 -4.624 -8.417 -10.450 1.00 0.00 C ATOM 1199 O GLU A 87 -3.749 -9.273 -10.563 1.00 0.00 O ATOM 1200 CB GLU A 87 -3.760 -6.606 -11.978 1.00 0.00 C ATOM 1201 CG GLU A 87 -2.984 -5.287 -11.985 1.00 0.00 C ATOM 1202 CD GLU A 87 -3.054 -4.617 -13.359 1.00 0.00 C ATOM 1203 OE1 GLU A 87 -4.129 -4.157 -13.771 1.00 0.00 O ATOM 1204 OE2 GLU A 87 -1.938 -4.582 -14.004 1.00 0.00 O ATOM 0 H GLU A 87 -2.446 -7.094 -9.572 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.188 -6.353 -10.419 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.116 -7.413 -12.328 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.597 -6.543 -12.673 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.392 -4.617 -11.228 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.943 -5.472 -11.719 1.00 0.00 H new ATOM 1210 N ASP A 88 -5.903 -8.676 -10.217 1.00 0.00 N ATOM 1211 CA ASP A 88 -6.374 -10.042 -10.075 1.00 0.00 C ATOM 1212 C ASP A 88 -7.840 -10.119 -10.507 1.00 0.00 C ATOM 1213 O ASP A 88 -8.563 -9.125 -10.441 1.00 0.00 O ATOM 1214 CB ASP A 88 -6.287 -10.507 -8.619 1.00 0.00 C ATOM 1215 CG ASP A 88 -5.372 -11.708 -8.378 1.00 0.00 C ATOM 1216 OD1 ASP A 88 -5.839 -12.846 -8.216 1.00 0.00 O ATOM 1217 OD2 ASP A 88 -4.110 -11.439 -8.359 1.00 0.00 O ATOM 0 H ASP A 88 -6.626 -7.963 -10.123 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.746 -10.681 -10.696 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -5.938 -9.675 -8.008 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.290 -10.758 -8.273 1.00 0.00 H new ATOM 1222 N ARG A 89 -8.235 -11.307 -10.939 1.00 0.00 N ATOM 1223 CA ARG A 89 -9.602 -11.526 -11.382 1.00 0.00 C ATOM 1224 C ARG A 89 -10.100 -12.894 -10.911 1.00 0.00 C ATOM 1225 O ARG A 89 -9.303 -13.801 -10.675 1.00 0.00 O ATOM 1226 CB ARG A 89 -9.705 -11.450 -12.907 1.00 0.00 C ATOM 1227 CG ARG A 89 -8.642 -12.327 -13.572 1.00 0.00 C ATOM 1228 CD ARG A 89 -9.178 -13.737 -13.829 1.00 0.00 C ATOM 1229 NE ARG A 89 -8.075 -14.626 -14.261 1.00 0.00 N ATOM 1230 CZ ARG A 89 -7.075 -15.038 -13.453 1.00 0.00 C ATOM 1231 NH1 ARG A 89 -7.031 -14.645 -12.162 1.00 0.00 N ATOM 1232 NH2 ARG A 89 -6.141 -15.832 -13.945 1.00 0.00 N ATOM 0 H ARG A 89 -7.633 -12.128 -10.992 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.221 -10.741 -10.948 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -10.697 -11.771 -13.225 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -9.585 -10.417 -13.232 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -8.330 -11.875 -14.514 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.759 -12.380 -12.935 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.640 -14.130 -12.923 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.953 -13.707 -14.595 1.00 0.00 H new ATOM 0 HE ARG A 89 -8.071 -14.947 -15.229 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -7.757 -14.032 -11.790 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.272 -14.961 -11.558 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -6.183 -16.124 -14.921 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.378 -16.153 -13.349 1.00 0.00 H new ATOM 1242 N LEU A 90 -11.416 -12.999 -10.789 1.00 0.00 N ATOM 1243 CA LEU A 90 -12.029 -14.241 -10.351 1.00 0.00 C ATOM 1244 C LEU A 90 -13.229 -14.555 -11.245 1.00 0.00 C ATOM 1245 O LEU A 90 -13.585 -13.760 -12.114 1.00 0.00 O ATOM 1246 CB LEU A 90 -12.374 -14.172 -8.862 1.00 0.00 C ATOM 1247 CG LEU A 90 -11.345 -14.781 -7.907 1.00 0.00 C ATOM 1248 CD1 LEU A 90 -11.646 -14.393 -6.457 1.00 0.00 C ATOM 1249 CD2 LEU A 90 -11.259 -16.298 -8.087 1.00 0.00 C ATOM 0 H LEU A 90 -12.074 -12.245 -10.986 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.328 -15.069 -10.455 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -12.518 -13.126 -8.591 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -13.328 -14.676 -8.706 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.366 -14.371 -8.155 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.900 -14.839 -5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -11.616 -13.308 -6.357 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -12.636 -14.756 -6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.521 -16.705 -7.396 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -12.232 -16.744 -7.882 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.963 -16.527 -9.111 1.00 0.00 H new ATOM 1260 N ARG A 91 -13.819 -15.717 -11.003 1.00 0.00 N ATOM 1261 CA ARG A 91 -14.972 -16.147 -11.777 1.00 0.00 C ATOM 1262 C ARG A 91 -16.202 -15.315 -11.404 1.00 0.00 C ATOM 1263 O ARG A 91 -17.142 -15.205 -12.188 1.00 0.00 O ATOM 1264 CB ARG A 91 -15.275 -17.627 -11.539 1.00 0.00 C ATOM 1265 CG ARG A 91 -15.667 -17.879 -10.081 1.00 0.00 C ATOM 1266 CD ARG A 91 -15.615 -19.372 -9.750 1.00 0.00 C ATOM 1267 NE ARG A 91 -16.985 -19.929 -9.709 1.00 0.00 N ATOM 1268 CZ ARG A 91 -17.283 -21.224 -9.944 1.00 0.00 C ATOM 1269 NH1 ARG A 91 -16.307 -22.109 -10.241 1.00 0.00 N ATOM 1270 NH2 ARG A 91 -18.543 -21.613 -9.881 1.00 0.00 N ATOM 0 H ARG A 91 -13.520 -16.374 -10.282 1.00 0.00 H new ATOM 0 HA ARG A 91 -14.736 -16.002 -12.831 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -16.083 -17.947 -12.197 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -14.401 -18.226 -11.793 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -14.994 -17.333 -9.420 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -16.672 -17.497 -9.900 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -15.022 -19.898 -10.498 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -15.123 -19.523 -8.789 1.00 0.00 H new ATOM 0 HE ARG A 91 -17.753 -19.294 -9.489 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -15.336 -21.800 -10.289 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -16.541 -23.086 -10.417 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -19.274 -20.938 -9.657 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -18.785 -22.588 -10.056 1.00 0.00 H new ATOM 1280 N PHE A 92 -16.153 -14.751 -10.205 1.00 0.00 N ATOM 1281 CA PHE A 92 -17.250 -13.934 -9.719 1.00 0.00 C ATOM 1282 C PHE A 92 -17.240 -12.552 -10.377 1.00 0.00 C ATOM 1283 O PHE A 92 -18.210 -11.803 -10.274 1.00 0.00 O ATOM 1284 CB PHE A 92 -17.051 -13.768 -8.211 1.00 0.00 C ATOM 1285 CG PHE A 92 -18.345 -13.855 -7.399 1.00 0.00 C ATOM 1286 CD1 PHE A 92 -18.804 -15.065 -6.981 1.00 0.00 C ATOM 1287 CD2 PHE A 92 -19.034 -12.723 -7.094 1.00 0.00 C ATOM 1288 CE1 PHE A 92 -20.005 -15.146 -6.226 1.00 0.00 C ATOM 1289 CE2 PHE A 92 -20.234 -12.805 -6.340 1.00 0.00 C ATOM 1290 CZ PHE A 92 -20.694 -14.014 -5.921 1.00 0.00 C ATOM 0 H PHE A 92 -15.371 -14.844 -9.557 1.00 0.00 H new ATOM 0 HA PHE A 92 -18.201 -14.412 -9.954 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -16.361 -14.535 -7.859 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -16.579 -12.804 -8.021 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -18.256 -15.964 -7.223 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -18.669 -11.762 -7.425 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -20.371 -16.107 -5.894 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -20.782 -11.906 -6.099 1.00 0.00 H new ATOM 0 HZ PHE A 92 -21.606 -14.075 -5.346 1.00 0.00 H new ATOM 1299 N TYR A 93 -16.130 -12.256 -11.039 1.00 0.00 N ATOM 1300 CA TYR A 93 -15.980 -10.978 -11.714 1.00 0.00 C ATOM 1301 C TYR A 93 -16.112 -11.140 -13.229 1.00 0.00 C ATOM 1302 O TYR A 93 -15.391 -11.929 -13.839 1.00 0.00 O ATOM 1303 CB TYR A 93 -14.567 -10.492 -11.386 1.00 0.00 C ATOM 1304 CG TYR A 93 -14.408 -9.955 -9.963 1.00 0.00 C ATOM 1305 CD1 TYR A 93 -14.459 -10.821 -8.889 1.00 0.00 C ATOM 1306 CD2 TYR A 93 -14.214 -8.605 -9.751 1.00 0.00 C ATOM 1307 CE1 TYR A 93 -14.309 -10.316 -7.549 1.00 0.00 C ATOM 1308 CE2 TYR A 93 -14.064 -8.100 -8.412 1.00 0.00 C ATOM 1309 CZ TYR A 93 -14.120 -8.980 -7.376 1.00 0.00 C ATOM 1310 OH TYR A 93 -13.979 -8.503 -6.111 1.00 0.00 O ATOM 0 H TYR A 93 -15.327 -12.879 -11.122 1.00 0.00 H new ATOM 0 HA TYR A 93 -16.749 -10.278 -11.387 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.868 -11.315 -11.533 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -14.290 -9.709 -12.092 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -14.611 -11.877 -9.054 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -14.175 -7.927 -10.591 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.346 -10.983 -6.700 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -13.910 -7.046 -8.233 1.00 0.00 H new ATOM 0 HH TYR A 93 -13.850 -7.532 -6.140 1.00 0.00 H new ATOM 1319 N VAL A 94 -17.038 -10.380 -13.795 1.00 0.00 N ATOM 1320 CA VAL A 94 -17.275 -10.429 -15.227 1.00 0.00 C ATOM 1321 C VAL A 94 -16.725 -9.157 -15.876 1.00 0.00 C ATOM 1322 O VAL A 94 -16.456 -9.133 -17.075 1.00 0.00 O ATOM 1323 CB VAL A 94 -18.764 -10.646 -15.506 1.00 0.00 C ATOM 1324 CG1 VAL A 94 -19.574 -9.395 -15.158 1.00 0.00 C ATOM 1325 CG2 VAL A 94 -18.996 -11.062 -16.960 1.00 0.00 C ATOM 0 H VAL A 94 -17.634 -9.726 -13.287 1.00 0.00 H new ATOM 0 HA VAL A 94 -16.749 -11.274 -15.671 1.00 0.00 H new ATOM 0 HB VAL A 94 -19.109 -11.459 -14.867 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -20.629 -9.575 -15.365 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -19.447 -9.161 -14.101 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -19.224 -8.556 -15.760 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -20.062 -11.210 -17.131 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -18.627 -10.281 -17.625 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -18.464 -11.992 -17.162 1.00 0.00 H new ATOM 1335 N LYS A 95 -16.574 -8.130 -15.052 1.00 0.00 N ATOM 1336 CA LYS A 95 -16.061 -6.857 -15.528 1.00 0.00 C ATOM 1337 C LYS A 95 -14.558 -6.782 -15.250 1.00 0.00 C ATOM 1338 O LYS A 95 -13.786 -6.348 -16.104 1.00 0.00 O ATOM 1339 CB LYS A 95 -16.857 -5.698 -14.925 1.00 0.00 C ATOM 1340 CG LYS A 95 -17.003 -4.552 -15.929 1.00 0.00 C ATOM 1341 CD LYS A 95 -16.769 -3.199 -15.253 1.00 0.00 C ATOM 1342 CE LYS A 95 -17.099 -2.047 -16.204 1.00 0.00 C ATOM 1343 NZ LYS A 95 -18.562 -1.834 -16.272 1.00 0.00 N ATOM 0 H LYS A 95 -16.798 -8.154 -14.057 1.00 0.00 H new ATOM 0 HA LYS A 95 -16.191 -6.774 -16.607 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.844 -6.049 -14.622 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -16.357 -5.337 -14.026 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.291 -4.684 -16.743 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -17.999 -4.575 -16.370 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -17.386 -3.124 -14.358 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -15.730 -3.124 -14.932 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.608 -1.135 -15.864 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -16.711 -2.266 -17.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -18.767 -1.027 -16.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -19.020 -2.688 -16.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -18.929 -1.637 -15.319 1.00 0.00 H new ATOM 1352 N PHE A 96 -14.189 -7.210 -14.052 1.00 0.00 N ATOM 1353 CA PHE A 96 -12.792 -7.197 -13.651 1.00 0.00 C ATOM 1354 C PHE A 96 -12.069 -5.976 -14.223 1.00 0.00 C ATOM 1355 O PHE A 96 -10.922 -6.075 -14.655 1.00 0.00 O ATOM 1356 CB PHE A 96 -12.152 -8.465 -14.216 1.00 0.00 C ATOM 1357 CG PHE A 96 -12.259 -8.590 -15.738 1.00 0.00 C ATOM 1358 CD1 PHE A 96 -13.413 -9.033 -16.305 1.00 0.00 C ATOM 1359 CD2 PHE A 96 -11.199 -8.260 -16.524 1.00 0.00 C ATOM 1360 CE1 PHE A 96 -13.512 -9.149 -17.716 1.00 0.00 C ATOM 1361 CE2 PHE A 96 -11.297 -8.376 -17.935 1.00 0.00 C ATOM 1362 CZ PHE A 96 -12.452 -8.818 -18.502 1.00 0.00 C ATOM 0 H PHE A 96 -14.832 -7.568 -13.346 1.00 0.00 H new ATOM 0 HA PHE A 96 -12.717 -7.154 -12.564 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -11.100 -8.486 -13.933 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -12.623 -9.334 -13.756 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.254 -9.297 -15.681 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -10.282 -7.909 -16.074 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.429 -9.500 -18.166 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -10.455 -8.114 -18.558 1.00 0.00 H new ATOM 0 HZ PHE A 96 -12.527 -8.906 -19.576 1.00 0.00 H new ATOM 1371 N GLY A 97 -12.770 -4.851 -14.207 1.00 0.00 N ATOM 1372 CA GLY A 97 -12.209 -3.612 -14.718 1.00 0.00 C ATOM 1373 C GLY A 97 -11.327 -2.935 -13.668 1.00 0.00 C ATOM 1374 O GLY A 97 -10.222 -2.490 -13.974 1.00 0.00 O ATOM 0 H GLY A 97 -13.721 -4.772 -13.848 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -11.622 -3.817 -15.614 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -13.014 -2.938 -15.011 1.00 0.00 H new ATOM 1378 N PRO A 98 -11.862 -2.876 -12.419 1.00 0.00 N ATOM 1379 CA PRO A 98 -11.134 -2.261 -11.321 1.00 0.00 C ATOM 1380 C PRO A 98 -10.006 -3.171 -10.832 1.00 0.00 C ATOM 1381 O PRO A 98 -10.147 -3.851 -9.817 1.00 0.00 O ATOM 1382 CB PRO A 98 -12.185 -1.993 -10.256 1.00 0.00 C ATOM 1383 CG PRO A 98 -13.367 -2.883 -10.602 1.00 0.00 C ATOM 1384 CD PRO A 98 -13.168 -3.393 -12.019 1.00 0.00 C ATOM 0 HA PRO A 98 -10.635 -1.337 -11.612 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -11.801 -2.223 -9.262 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -12.476 -0.943 -10.250 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -13.435 -3.716 -9.903 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -14.300 -2.325 -10.525 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -13.191 -4.482 -12.055 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -13.955 -3.036 -12.683 1.00 0.00 H new ATOM 1389 N GLY A 99 -8.910 -3.154 -11.578 1.00 0.00 N ATOM 1390 CA GLY A 99 -7.758 -3.968 -11.234 1.00 0.00 C ATOM 1391 C GLY A 99 -6.461 -3.319 -11.723 1.00 0.00 C ATOM 1392 O GLY A 99 -5.415 -3.964 -11.759 1.00 0.00 O ATOM 0 H GLY A 99 -8.797 -2.589 -12.419 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.715 -4.105 -10.154 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.863 -4.958 -11.677 1.00 0.00 H new ATOM 1396 N ALA A 100 -6.574 -2.050 -12.088 1.00 0.00 N ATOM 1397 CA ALA A 100 -5.424 -1.307 -12.574 1.00 0.00 C ATOM 1398 C ALA A 100 -5.238 -0.049 -11.723 1.00 0.00 C ATOM 1399 O ALA A 100 -6.191 0.442 -11.118 1.00 0.00 O ATOM 1400 CB ALA A 100 -5.614 -0.985 -14.058 1.00 0.00 C ATOM 0 H ALA A 100 -7.444 -1.518 -12.057 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.516 -1.903 -12.484 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.751 -0.428 -14.423 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.712 -1.913 -14.622 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.515 -0.385 -14.188 1.00 0.00 H new ATOM 1406 N VAL A 101 -4.006 0.436 -11.702 1.00 0.00 N ATOM 1407 CA VAL A 101 -3.684 1.627 -10.935 1.00 0.00 C ATOM 1408 C VAL A 101 -4.592 2.777 -11.379 1.00 0.00 C ATOM 1409 O VAL A 101 -4.986 3.611 -10.567 1.00 0.00 O ATOM 1410 CB VAL A 101 -2.195 1.953 -11.076 1.00 0.00 C ATOM 1411 CG1 VAL A 101 -1.981 3.153 -12.001 1.00 0.00 C ATOM 1412 CG2 VAL A 101 -1.556 2.197 -9.708 1.00 0.00 C ATOM 0 H VAL A 101 -3.218 0.026 -12.204 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.868 1.459 -9.874 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.705 1.090 -11.527 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.915 3.363 -12.084 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.384 2.928 -12.988 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.492 4.024 -11.591 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.498 2.427 -9.836 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.052 3.035 -9.219 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.661 1.304 -9.093 1.00 0.00 H new ATOM 1422 N ILE A 102 -4.896 2.783 -12.669 1.00 0.00 N ATOM 1423 CA ILE A 102 -5.750 3.815 -13.231 1.00 0.00 C ATOM 1424 C ILE A 102 -7.089 3.821 -12.492 1.00 0.00 C ATOM 1425 O ILE A 102 -7.545 4.868 -12.035 1.00 0.00 O ATOM 1426 CB ILE A 102 -5.884 3.634 -14.745 1.00 0.00 C ATOM 1427 CG1 ILE A 102 -4.535 3.826 -15.441 1.00 0.00 C ATOM 1428 CG2 ILE A 102 -6.959 4.561 -15.314 1.00 0.00 C ATOM 1429 CD1 ILE A 102 -4.611 3.403 -16.909 1.00 0.00 C ATOM 0 H ILE A 102 -4.566 2.090 -13.340 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.303 4.799 -13.089 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.205 2.611 -14.940 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.233 4.871 -15.375 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.771 3.241 -14.929 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -7.034 4.413 -16.391 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -7.918 4.334 -14.849 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -6.692 5.597 -15.108 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.639 3.549 -17.381 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.889 2.351 -16.971 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -5.359 4.007 -17.423 1.00 0.00 H new ATOM 1440 N LYS A 103 -7.683 2.640 -12.397 1.00 0.00 N ATOM 1441 CA LYS A 103 -8.960 2.496 -11.722 1.00 0.00 C ATOM 1442 C LYS A 103 -8.830 2.998 -10.282 1.00 0.00 C ATOM 1443 O LYS A 103 -9.695 3.724 -9.794 1.00 0.00 O ATOM 1444 CB LYS A 103 -9.464 1.056 -11.827 1.00 0.00 C ATOM 1445 CG LYS A 103 -10.036 0.776 -13.218 1.00 0.00 C ATOM 1446 CD LYS A 103 -11.144 1.772 -13.566 1.00 0.00 C ATOM 1447 CE LYS A 103 -12.039 2.041 -12.355 1.00 0.00 C ATOM 1448 NZ LYS A 103 -12.633 0.779 -11.860 1.00 0.00 N ATOM 0 H LYS A 103 -7.302 1.774 -12.777 1.00 0.00 H new ATOM 0 HA LYS A 103 -9.718 3.110 -12.208 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -8.647 0.365 -11.620 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -10.230 0.879 -11.072 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -9.241 0.837 -13.961 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -10.430 -0.240 -13.255 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -10.702 2.707 -13.911 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -11.745 1.381 -14.387 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -11.457 2.512 -11.562 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -12.830 2.740 -12.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -13.667 0.815 -11.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -12.254 -0.021 -12.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -12.396 0.655 -10.855 1.00 0.00 H new ATOM 1457 N GLU A 104 -7.743 2.591 -9.643 1.00 0.00 N ATOM 1458 CA GLU A 104 -7.489 2.991 -8.269 1.00 0.00 C ATOM 1459 C GLU A 104 -7.554 4.514 -8.138 1.00 0.00 C ATOM 1460 O GLU A 104 -8.100 5.034 -7.166 1.00 0.00 O ATOM 1461 CB GLU A 104 -6.141 2.456 -7.783 1.00 0.00 C ATOM 1462 CG GLU A 104 -6.074 0.934 -7.919 1.00 0.00 C ATOM 1463 CD GLU A 104 -7.116 0.257 -7.025 1.00 0.00 C ATOM 1464 OE1 GLU A 104 -7.325 -0.960 -7.128 1.00 0.00 O ATOM 1465 OE2 GLU A 104 -7.717 1.043 -6.198 1.00 0.00 O ATOM 0 H GLU A 104 -7.028 1.989 -10.051 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.264 2.559 -7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.336 2.912 -8.359 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.988 2.739 -6.742 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.242 0.650 -8.958 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.077 0.585 -7.650 1.00 0.00 H new ATOM 1471 N PHE A 105 -6.989 5.186 -9.131 1.00 0.00 N ATOM 1472 CA PHE A 105 -6.976 6.638 -9.139 1.00 0.00 C ATOM 1473 C PHE A 105 -8.398 7.199 -9.221 1.00 0.00 C ATOM 1474 O PHE A 105 -8.693 8.239 -8.635 1.00 0.00 O ATOM 1475 CB PHE A 105 -6.197 7.072 -10.382 1.00 0.00 C ATOM 1476 CG PHE A 105 -4.780 7.568 -10.088 1.00 0.00 C ATOM 1477 CD1 PHE A 105 -4.594 8.763 -9.465 1.00 0.00 C ATOM 1478 CD2 PHE A 105 -3.707 6.815 -10.449 1.00 0.00 C ATOM 1479 CE1 PHE A 105 -3.279 9.224 -9.192 1.00 0.00 C ATOM 1480 CE2 PHE A 105 -2.392 7.276 -10.174 1.00 0.00 C ATOM 1481 CZ PHE A 105 -2.206 8.471 -9.553 1.00 0.00 C ATOM 0 H PHE A 105 -6.537 4.751 -9.935 1.00 0.00 H new ATOM 0 HA PHE A 105 -6.519 7.011 -8.222 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -6.140 6.232 -11.074 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -6.750 7.864 -10.887 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -5.446 9.361 -9.178 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -3.855 5.867 -10.945 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -3.131 10.173 -8.698 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -1.540 6.677 -10.458 1.00 0.00 H new ATOM 0 HZ PHE A 105 -1.206 8.822 -9.346 1.00 0.00 H new ATOM 1490 N LYS A 106 -9.239 6.486 -9.953 1.00 0.00 N ATOM 1491 CA LYS A 106 -10.623 6.899 -10.119 1.00 0.00 C ATOM 1492 C LYS A 106 -11.220 7.226 -8.750 1.00 0.00 C ATOM 1493 O LYS A 106 -12.127 8.051 -8.645 1.00 0.00 O ATOM 1494 CB LYS A 106 -11.409 5.840 -10.896 1.00 0.00 C ATOM 1495 CG LYS A 106 -12.785 6.369 -11.303 1.00 0.00 C ATOM 1496 CD LYS A 106 -13.668 5.241 -11.841 1.00 0.00 C ATOM 1497 CE LYS A 106 -14.056 4.268 -10.726 1.00 0.00 C ATOM 1498 NZ LYS A 106 -15.433 3.766 -10.931 1.00 0.00 N ATOM 0 H LYS A 106 -8.990 5.624 -10.439 1.00 0.00 H new ATOM 0 HA LYS A 106 -10.680 7.808 -10.718 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -10.851 5.547 -11.785 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.526 4.946 -10.283 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.268 6.836 -10.444 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -12.671 7.141 -12.064 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -14.567 5.662 -12.291 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.139 4.705 -12.629 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -13.357 3.432 -10.706 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.985 4.767 -9.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -15.680 3.107 -10.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -16.098 4.566 -10.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -15.490 3.272 -11.845 1.00 0.00 H new ATOM 1507 N ILE A 107 -10.689 6.564 -7.733 1.00 0.00 N ATOM 1508 CA ILE A 107 -11.159 6.774 -6.374 1.00 0.00 C ATOM 1509 C ILE A 107 -10.971 8.244 -5.996 1.00 0.00 C ATOM 1510 O ILE A 107 -11.540 8.713 -5.012 1.00 0.00 O ATOM 1511 CB ILE A 107 -10.473 5.800 -5.413 1.00 0.00 C ATOM 1512 CG1 ILE A 107 -11.070 4.397 -5.538 1.00 0.00 C ATOM 1513 CG2 ILE A 107 -10.526 6.320 -3.975 1.00 0.00 C ATOM 1514 CD1 ILE A 107 -11.043 3.916 -6.990 1.00 0.00 C ATOM 0 H ILE A 107 -9.937 5.881 -7.823 1.00 0.00 H new ATOM 0 HA ILE A 107 -12.225 6.559 -6.302 1.00 0.00 H new ATOM 0 HB ILE A 107 -9.421 5.729 -5.690 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.510 3.703 -4.911 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -12.097 4.401 -5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -10.032 5.609 -3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -10.019 7.283 -3.917 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -11.565 6.439 -3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -11.473 2.916 -7.050 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -11.624 4.599 -7.610 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -10.013 3.890 -7.346 1.00 0.00 H new ATOM 1525 N THR A 108 -10.171 8.931 -6.799 1.00 0.00 N ATOM 1526 CA THR A 108 -9.900 10.339 -6.561 1.00 0.00 C ATOM 1527 C THR A 108 -9.970 11.124 -7.873 1.00 0.00 C ATOM 1528 O THR A 108 -10.656 12.142 -7.955 1.00 0.00 O ATOM 1529 CB THR A 108 -8.546 10.449 -5.858 1.00 0.00 C ATOM 1530 OG1 THR A 108 -8.748 11.457 -4.873 1.00 0.00 O ATOM 1531 CG2 THR A 108 -7.460 11.027 -6.767 1.00 0.00 C ATOM 0 H THR A 108 -9.702 8.539 -7.615 1.00 0.00 H new ATOM 0 HA THR A 108 -10.655 10.783 -5.912 1.00 0.00 H new ATOM 0 HB THR A 108 -8.238 9.464 -5.506 1.00 0.00 H new ATOM 0 HG1 THR A 108 -7.919 11.592 -4.368 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.519 11.084 -6.219 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.334 10.384 -7.638 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.751 12.026 -7.092 1.00 0.00 H new ATOM 1539 N ASP A 109 -9.250 10.621 -8.865 1.00 0.00 N ATOM 1540 CA ASP A 109 -9.221 11.264 -10.168 1.00 0.00 C ATOM 1541 C ASP A 109 -10.627 11.748 -10.524 1.00 0.00 C ATOM 1542 O ASP A 109 -10.815 12.440 -11.524 1.00 0.00 O ATOM 1543 CB ASP A 109 -8.770 10.284 -11.254 1.00 0.00 C ATOM 1544 CG ASP A 109 -7.297 10.395 -11.652 1.00 0.00 C ATOM 1545 OD1 ASP A 109 -6.909 10.030 -12.772 1.00 0.00 O ATOM 1546 OD2 ASP A 109 -6.521 10.885 -10.745 1.00 0.00 O ATOM 0 H ASP A 109 -8.683 9.776 -8.793 1.00 0.00 H new ATOM 0 HA ASP A 109 -8.520 12.097 -10.118 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -8.962 9.268 -10.908 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -9.384 10.440 -12.141 1.00 0.00 H new TER 1551 ASP A 109