USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=26 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 60 HIS : no HD1:sc= -2.81! C(o=-3!,f=-3.6!) USER MOD Set 1.2: A 61 THR OG1 : rot 180:sc= -0.193 USER MOD Set 2.1: A 20 CYS SG : rot 46:sc= -3.05! USER MOD Set 2.2: A 42 CYS SG : rot 109:sc= -0.51 USER MOD Set 3.1: A 30 TYR OH : rot 180:sc= -0.497 USER MOD Set 3.2: A 31 HIS :FLIP+bothHN:sc= -7! C(o=-9.6!,f=-7.5!) USER MOD Set 4.1: A 15 SER OG : rot 180:sc= 0.602 USER MOD Set 4.2: A 17 SER OG : rot -95:sc= 0.666 USER MOD Single : A 1 MET CE :methyl 169:sc=-0.00467 (180deg=-0.083) USER MOD Single : A 1 MET N :NH3+ -128:sc= 0.0349 (180deg=0) USER MOD Single : A 2 SER OG : rot 164:sc= 0.522 USER MOD Single : A 5 ASN : amide:sc= -1.21 K(o=-1.2,f=-3.5!) USER MOD Single : A 9 ASN : amide:sc= -0.548 X(o=-0.55,f=-0.6) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -165:sc= -3.63! (180deg=-4.1!) USER MOD Single : A 23 CYS SG : rot 180:sc= 0.0157 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0.018 USER MOD Single : A 51 MET CE :methyl 147:sc= -0.305 (180deg=-1.31!) USER MOD Single : A 52 ASN : amide:sc= -0.3 K(o=-0.3,f=-1) USER MOD Single : A 53 MET CE :methyl -160:sc= -0.125 (180deg=-1.21) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -113:sc= -2.15! (180deg=-5.26!) USER MOD Single : A 64 HIS :FLIP no HE2:sc= 0.0579 F(o=-0.69,f=0.058) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -1.63 F(o=-3.5,f=-1.6) USER MOD Single : A 74 ASN : amide:sc= -2.89! C(o=-2.9!,f=-3.3!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN :FLIP amide:sc= 0.666 F(o=-0.9,f=0.67) USER MOD Single : A 80 ASN :FLIP amide:sc= -4.03! F(o=-5.1,f=-4!) USER MOD Single : A 84 LYS NZ :NH3+ -138:sc= -6.71! (180deg=-7.74!) USER MOD Single : A 85 ASN : amide:sc= -9.07! C(o=-9.1!,f=-14!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 6.444 16.169 -6.882 1.00 0.00 N ATOM 2 CA MET A 1 5.269 15.811 -6.109 1.00 0.00 C ATOM 3 C MET A 1 5.427 14.426 -5.478 1.00 0.00 C ATOM 4 O MET A 1 6.359 13.694 -5.807 1.00 0.00 O ATOM 5 CB MET A 1 4.037 15.821 -7.017 1.00 0.00 C ATOM 6 CG MET A 1 2.849 16.490 -6.324 1.00 0.00 C ATOM 7 SD MET A 1 1.345 16.151 -7.223 1.00 0.00 S ATOM 8 CE MET A 1 0.497 15.125 -6.035 1.00 0.00 C ATOM 0 H1 MET A 1 6.785 17.105 -6.582 1.00 0.00 H new ATOM 0 H2 MET A 1 7.191 15.462 -6.726 1.00 0.00 H new ATOM 0 H3 MET A 1 6.199 16.197 -7.892 1.00 0.00 H new ATOM 0 HA MET A 1 5.148 16.542 -5.309 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.267 16.349 -7.942 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.774 14.799 -7.290 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.761 16.124 -5.301 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.012 17.566 -6.264 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.537 14.983 -6.349 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.993 14.156 -5.971 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.516 15.608 -5.058 1.00 0.00 H new ATOM 16 N SER A 2 4.503 14.108 -4.583 1.00 0.00 N ATOM 17 CA SER A 2 4.529 12.824 -3.904 1.00 0.00 C ATOM 18 C SER A 2 3.301 12.000 -4.294 1.00 0.00 C ATOM 19 O SER A 2 2.200 12.537 -4.411 1.00 0.00 O ATOM 20 CB SER A 2 4.587 13.005 -2.386 1.00 0.00 C ATOM 21 OG SER A 2 4.011 14.241 -1.974 1.00 0.00 O ATOM 0 H SER A 2 3.731 14.718 -4.312 1.00 0.00 H new ATOM 0 HA SER A 2 5.428 12.292 -4.214 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.062 12.181 -1.902 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.625 12.960 -2.055 1.00 0.00 H new ATOM 0 HG SER A 2 3.833 14.214 -1.011 1.00 0.00 H new ATOM 26 N GLU A 3 3.529 10.709 -4.487 1.00 0.00 N ATOM 27 CA GLU A 3 2.454 9.807 -4.861 1.00 0.00 C ATOM 28 C GLU A 3 2.532 8.519 -4.039 1.00 0.00 C ATOM 29 O GLU A 3 3.537 7.811 -4.081 1.00 0.00 O ATOM 30 CB GLU A 3 2.491 9.503 -6.361 1.00 0.00 C ATOM 31 CG GLU A 3 1.326 10.180 -7.086 1.00 0.00 C ATOM 32 CD GLU A 3 1.831 11.078 -8.217 1.00 0.00 C ATOM 33 OE1 GLU A 3 2.997 10.964 -8.626 1.00 0.00 O ATOM 34 OE2 GLU A 3 0.966 11.917 -8.675 1.00 0.00 O ATOM 0 H GLU A 3 4.443 10.267 -4.391 1.00 0.00 H new ATOM 0 HA GLU A 3 1.504 10.296 -4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.436 9.847 -6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.445 8.425 -6.519 1.00 0.00 H new ATOM 0 HG2 GLU A 3 0.655 9.422 -7.491 1.00 0.00 H new ATOM 0 HG3 GLU A 3 0.747 10.772 -6.377 1.00 0.00 H new ATOM 40 N VAL A 4 1.457 8.254 -3.311 1.00 0.00 N ATOM 41 CA VAL A 4 1.390 7.064 -2.481 1.00 0.00 C ATOM 42 C VAL A 4 0.076 6.329 -2.753 1.00 0.00 C ATOM 43 O VAL A 4 -1.002 6.900 -2.591 1.00 0.00 O ATOM 44 CB VAL A 4 1.571 7.441 -1.010 1.00 0.00 C ATOM 45 CG1 VAL A 4 0.607 8.560 -0.608 1.00 0.00 C ATOM 46 CG2 VAL A 4 1.401 6.220 -0.105 1.00 0.00 C ATOM 0 H VAL A 4 0.625 8.844 -3.279 1.00 0.00 H new ATOM 0 HA VAL A 4 2.201 6.380 -2.729 1.00 0.00 H new ATOM 0 HB VAL A 4 2.588 7.812 -0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.756 8.809 0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.797 9.441 -1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.420 8.227 -0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.535 6.517 0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.402 5.805 -0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.145 5.467 -0.366 1.00 0.00 H new ATOM 56 N ASN A 5 0.209 5.077 -3.162 1.00 0.00 N ATOM 57 CA ASN A 5 -0.956 4.259 -3.459 1.00 0.00 C ATOM 58 C ASN A 5 -0.680 2.815 -3.035 1.00 0.00 C ATOM 59 O ASN A 5 0.140 2.131 -3.645 1.00 0.00 O ATOM 60 CB ASN A 5 -1.264 4.262 -4.957 1.00 0.00 C ATOM 61 CG ASN A 5 -0.168 4.987 -5.741 1.00 0.00 C ATOM 62 OD1 ASN A 5 1.005 4.664 -5.661 1.00 0.00 O ATOM 63 ND2 ASN A 5 -0.615 5.982 -6.503 1.00 0.00 N ATOM 0 H ASN A 5 1.105 4.608 -3.295 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.806 4.672 -2.916 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -1.355 3.237 -5.315 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.224 4.747 -5.134 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.038 6.526 -7.066 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -1.611 6.200 -6.524 1.00 0.00 H new ATOM 69 N ILE A 6 -1.382 2.393 -1.994 1.00 0.00 N ATOM 70 CA ILE A 6 -1.224 1.043 -1.482 1.00 0.00 C ATOM 71 C ILE A 6 -2.604 0.441 -1.207 1.00 0.00 C ATOM 72 O ILE A 6 -3.328 0.912 -0.331 1.00 0.00 O ATOM 73 CB ILE A 6 -0.296 1.036 -0.265 1.00 0.00 C ATOM 74 CG1 ILE A 6 1.095 1.555 -0.634 1.00 0.00 C ATOM 75 CG2 ILE A 6 -0.240 -0.353 0.375 1.00 0.00 C ATOM 76 CD1 ILE A 6 1.249 3.029 -0.255 1.00 0.00 C ATOM 0 H ILE A 6 -2.062 2.963 -1.491 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.741 0.408 -2.225 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.706 1.717 0.481 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.855 0.963 -0.124 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.261 1.432 -1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.426 -0.330 1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.239 -0.646 0.697 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.133 -1.074 -0.352 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.247 3.373 -0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.503 3.621 -0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.107 3.145 0.819 1.00 0.00 H new ATOM 87 N VAL A 7 -2.927 -0.592 -1.971 1.00 0.00 N ATOM 88 CA VAL A 7 -4.207 -1.263 -1.821 1.00 0.00 C ATOM 89 C VAL A 7 -4.020 -2.765 -2.046 1.00 0.00 C ATOM 90 O VAL A 7 -3.286 -3.175 -2.944 1.00 0.00 O ATOM 91 CB VAL A 7 -5.238 -0.641 -2.765 1.00 0.00 C ATOM 92 CG1 VAL A 7 -6.635 -1.204 -2.499 1.00 0.00 C ATOM 93 CG2 VAL A 7 -5.231 0.885 -2.656 1.00 0.00 C ATOM 0 H VAL A 7 -2.324 -0.981 -2.696 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.591 -1.131 -0.809 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.960 -0.905 -3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.349 -0.745 -3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.628 -2.283 -2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.926 -0.985 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.973 1.302 -3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.472 1.178 -1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.243 1.264 -2.919 1.00 0.00 H new ATOM 103 N VAL A 8 -4.696 -3.543 -1.214 1.00 0.00 N ATOM 104 CA VAL A 8 -4.614 -4.991 -1.310 1.00 0.00 C ATOM 105 C VAL A 8 -5.991 -5.553 -1.668 1.00 0.00 C ATOM 106 O VAL A 8 -6.984 -5.239 -1.013 1.00 0.00 O ATOM 107 CB VAL A 8 -4.051 -5.570 -0.011 1.00 0.00 C ATOM 108 CG1 VAL A 8 -4.083 -7.100 -0.034 1.00 0.00 C ATOM 109 CG2 VAL A 8 -2.634 -5.056 0.249 1.00 0.00 C ATOM 0 H VAL A 8 -5.303 -3.198 -0.470 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.928 -5.283 -2.105 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.686 -5.233 0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.677 -7.487 0.901 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.112 -7.441 -0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.483 -7.464 -0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.257 -5.483 1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.984 -5.349 -0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.650 -3.969 0.329 1.00 0.00 H new ATOM 119 N ASN A 9 -6.008 -6.375 -2.707 1.00 0.00 N ATOM 120 CA ASN A 9 -7.247 -6.983 -3.160 1.00 0.00 C ATOM 121 C ASN A 9 -7.138 -8.505 -3.037 1.00 0.00 C ATOM 122 O ASN A 9 -6.345 -9.132 -3.736 1.00 0.00 O ATOM 123 CB ASN A 9 -7.523 -6.647 -4.627 1.00 0.00 C ATOM 124 CG ASN A 9 -8.283 -5.325 -4.752 1.00 0.00 C ATOM 125 OD1 ASN A 9 -9.220 -5.047 -4.023 1.00 0.00 O ATOM 126 ND2 ASN A 9 -7.829 -4.529 -5.716 1.00 0.00 N ATOM 0 H ASN A 9 -5.183 -6.634 -3.248 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.057 -6.595 -2.543 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.582 -6.583 -5.173 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.103 -7.449 -5.085 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -8.270 -3.624 -5.880 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.039 -4.823 -6.291 1.00 0.00 H new ATOM 132 N GLY A 10 -7.946 -9.053 -2.142 1.00 0.00 N ATOM 133 CA GLY A 10 -7.950 -10.490 -1.918 1.00 0.00 C ATOM 134 C GLY A 10 -6.742 -10.917 -1.082 1.00 0.00 C ATOM 135 O GLY A 10 -6.218 -12.016 -1.260 1.00 0.00 O ATOM 0 H GLY A 10 -8.602 -8.529 -1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.870 -10.780 -1.410 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.937 -11.011 -2.875 1.00 0.00 H new ATOM 139 N ARG A 11 -6.337 -10.027 -0.188 1.00 0.00 N ATOM 140 CA ARG A 11 -5.201 -10.299 0.677 1.00 0.00 C ATOM 141 C ARG A 11 -4.078 -10.971 -0.118 1.00 0.00 C ATOM 142 O ARG A 11 -3.655 -12.077 0.215 1.00 0.00 O ATOM 143 CB ARG A 11 -5.601 -11.202 1.845 1.00 0.00 C ATOM 144 CG ARG A 11 -6.890 -10.707 2.504 1.00 0.00 C ATOM 145 CD ARG A 11 -6.865 -10.957 4.013 1.00 0.00 C ATOM 146 NE ARG A 11 -7.105 -12.391 4.292 1.00 0.00 N ATOM 147 CZ ARG A 11 -7.635 -12.860 5.441 1.00 0.00 C ATOM 148 NH1 ARG A 11 -7.987 -12.011 6.430 1.00 0.00 N ATOM 149 NH2 ARG A 11 -7.805 -14.161 5.583 1.00 0.00 N ATOM 0 H ARG A 11 -6.775 -9.117 -0.044 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.851 -9.346 1.074 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.739 -12.223 1.489 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.798 -11.227 2.582 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.016 -9.642 2.310 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.747 -11.215 2.062 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.902 -10.654 4.424 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.626 -10.350 4.503 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.854 -13.067 3.570 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.853 -11.007 6.312 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.387 -12.374 7.295 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.537 -14.795 4.831 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.204 -14.532 6.445 1.00 0.00 H new ATOM 159 N GLU A 12 -3.630 -10.274 -1.152 1.00 0.00 N ATOM 160 CA GLU A 12 -2.565 -10.790 -1.995 1.00 0.00 C ATOM 161 C GLU A 12 -1.320 -9.909 -1.876 1.00 0.00 C ATOM 162 O GLU A 12 -1.410 -8.686 -1.967 1.00 0.00 O ATOM 163 CB GLU A 12 -3.023 -10.899 -3.451 1.00 0.00 C ATOM 164 CG GLU A 12 -4.020 -12.046 -3.628 1.00 0.00 C ATOM 165 CD GLU A 12 -3.403 -13.190 -4.435 1.00 0.00 C ATOM 166 OE1 GLU A 12 -2.546 -12.947 -5.299 1.00 0.00 O ATOM 167 OE2 GLU A 12 -3.842 -14.365 -4.138 1.00 0.00 O ATOM 0 H GLU A 12 -3.985 -9.357 -1.425 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.310 -11.793 -1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.483 -9.961 -3.762 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.160 -11.060 -4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.334 -12.414 -2.651 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.914 -11.681 -4.133 1.00 0.00 H new ATOM 173 N ALA A 13 -0.187 -10.566 -1.676 1.00 0.00 N ATOM 174 CA ALA A 13 1.075 -9.857 -1.543 1.00 0.00 C ATOM 175 C ALA A 13 2.172 -10.639 -2.268 1.00 0.00 C ATOM 176 O ALA A 13 2.115 -11.866 -2.350 1.00 0.00 O ATOM 177 CB ALA A 13 1.391 -9.648 -0.061 1.00 0.00 C ATOM 0 H ALA A 13 -0.116 -11.581 -1.603 1.00 0.00 H new ATOM 0 HA ALA A 13 1.012 -8.871 -2.004 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.337 -9.116 0.038 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.596 -9.063 0.402 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.465 -10.616 0.435 1.00 0.00 H new ATOM 183 N GLY A 14 3.146 -9.898 -2.776 1.00 0.00 N ATOM 184 CA GLY A 14 4.255 -10.506 -3.490 1.00 0.00 C ATOM 185 C GLY A 14 5.525 -9.663 -3.354 1.00 0.00 C ATOM 186 O GLY A 14 6.188 -9.369 -4.347 1.00 0.00 O ATOM 0 H GLY A 14 3.190 -8.881 -2.707 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.436 -11.508 -3.101 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.998 -10.615 -4.544 1.00 0.00 H new ATOM 190 N SER A 15 5.824 -9.300 -2.116 1.00 0.00 N ATOM 191 CA SER A 15 7.003 -8.497 -1.836 1.00 0.00 C ATOM 192 C SER A 15 7.452 -8.713 -0.390 1.00 0.00 C ATOM 193 O SER A 15 6.836 -9.481 0.347 1.00 0.00 O ATOM 194 CB SER A 15 6.731 -7.012 -2.091 1.00 0.00 C ATOM 195 OG SER A 15 5.589 -6.549 -1.375 1.00 0.00 O ATOM 0 H SER A 15 5.271 -9.547 -1.295 1.00 0.00 H new ATOM 0 HA SER A 15 7.800 -8.814 -2.508 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.604 -6.428 -1.799 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.581 -6.849 -3.158 1.00 0.00 H new ATOM 0 HG SER A 15 5.449 -5.597 -1.562 1.00 0.00 H new ATOM 200 N LYS A 16 8.524 -8.023 -0.028 1.00 0.00 N ATOM 201 CA LYS A 16 9.064 -8.131 1.317 1.00 0.00 C ATOM 202 C LYS A 16 8.275 -7.213 2.253 1.00 0.00 C ATOM 203 O LYS A 16 8.668 -7.004 3.399 1.00 0.00 O ATOM 204 CB LYS A 16 10.569 -7.859 1.314 1.00 0.00 C ATOM 205 CG LYS A 16 10.882 -6.517 0.649 1.00 0.00 C ATOM 206 CD LYS A 16 11.727 -6.712 -0.612 1.00 0.00 C ATOM 207 CE LYS A 16 11.289 -5.752 -1.720 1.00 0.00 C ATOM 208 NZ LYS A 16 11.321 -6.430 -3.036 1.00 0.00 N ATOM 0 H LYS A 16 9.033 -7.387 -0.642 1.00 0.00 H new ATOM 0 HA LYS A 16 8.948 -9.147 1.694 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.944 -7.858 2.337 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.086 -8.660 0.786 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.952 -6.009 0.393 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.413 -5.875 1.351 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.779 -6.547 -0.378 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.635 -7.741 -0.960 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.282 -5.387 -1.516 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.946 -4.882 -1.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.021 -5.765 -3.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.288 -6.756 -3.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.676 -7.246 -3.022 1.00 0.00 H new ATOM 217 N SER A 17 7.177 -6.690 1.730 1.00 0.00 N ATOM 218 CA SER A 17 6.328 -5.800 2.505 1.00 0.00 C ATOM 219 C SER A 17 5.840 -6.511 3.768 1.00 0.00 C ATOM 220 O SER A 17 5.351 -5.868 4.696 1.00 0.00 O ATOM 221 CB SER A 17 5.139 -5.312 1.676 1.00 0.00 C ATOM 222 OG SER A 17 4.332 -6.391 1.213 1.00 0.00 O ATOM 0 H SER A 17 6.855 -6.865 0.778 1.00 0.00 H new ATOM 0 HA SER A 17 6.917 -4.929 2.791 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.531 -4.637 2.277 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.503 -4.739 0.823 1.00 0.00 H new ATOM 0 HG SER A 17 4.606 -6.639 0.305 1.00 0.00 H new ATOM 227 N LYS A 18 5.987 -7.828 3.762 1.00 0.00 N ATOM 228 CA LYS A 18 5.566 -8.633 4.896 1.00 0.00 C ATOM 229 C LYS A 18 6.590 -8.495 6.023 1.00 0.00 C ATOM 230 O LYS A 18 6.428 -9.084 7.090 1.00 0.00 O ATOM 231 CB LYS A 18 5.319 -10.079 4.463 1.00 0.00 C ATOM 232 CG LYS A 18 4.165 -10.164 3.463 1.00 0.00 C ATOM 233 CD LYS A 18 2.843 -9.748 4.113 1.00 0.00 C ATOM 234 CE LYS A 18 1.663 -10.020 3.178 1.00 0.00 C ATOM 235 NZ LYS A 18 1.153 -8.755 2.605 1.00 0.00 N ATOM 0 H LYS A 18 6.392 -8.357 2.990 1.00 0.00 H new ATOM 0 HA LYS A 18 4.614 -8.274 5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.224 -10.487 4.014 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.093 -10.690 5.337 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.372 -9.520 2.608 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.083 -11.182 3.083 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.705 -10.293 5.047 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.875 -8.688 4.365 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.974 -10.690 2.376 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.867 -10.525 3.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.215 -8.917 2.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.077 -8.039 3.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.807 -8.418 1.870 1.00 0.00 H new ATOM 244 N GLY A 19 7.624 -7.712 5.747 1.00 0.00 N ATOM 245 CA GLY A 19 8.676 -7.489 6.725 1.00 0.00 C ATOM 246 C GLY A 19 8.237 -6.473 7.781 1.00 0.00 C ATOM 247 O GLY A 19 7.243 -6.684 8.475 1.00 0.00 O ATOM 0 H GLY A 19 7.755 -7.225 4.861 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.934 -8.432 7.208 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.575 -7.131 6.222 1.00 0.00 H new ATOM 251 N CYS A 20 8.996 -5.391 7.868 1.00 0.00 N ATOM 252 CA CYS A 20 8.699 -4.341 8.826 1.00 0.00 C ATOM 253 C CYS A 20 9.096 -2.999 8.209 1.00 0.00 C ATOM 254 O CYS A 20 9.803 -2.960 7.204 1.00 0.00 O ATOM 255 CB CYS A 20 9.398 -4.583 10.166 1.00 0.00 C ATOM 256 SG CYS A 20 8.161 -4.974 11.457 1.00 0.00 S ATOM 0 H CYS A 20 9.818 -5.219 7.289 1.00 0.00 H new ATOM 0 HA CYS A 20 7.631 -4.337 9.044 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.109 -5.404 10.072 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.968 -3.699 10.453 1.00 0.00 H new ATOM 0 HG CYS A 20 7.308 -5.838 10.993 1.00 0.00 H new ATOM 261 N ALA A 21 8.623 -1.933 8.836 1.00 0.00 N ATOM 262 CA ALA A 21 8.919 -0.592 8.361 1.00 0.00 C ATOM 263 C ALA A 21 10.432 -0.369 8.388 1.00 0.00 C ATOM 264 O ALA A 21 10.997 0.189 7.449 1.00 0.00 O ATOM 265 CB ALA A 21 8.164 0.431 9.213 1.00 0.00 C ATOM 0 H ALA A 21 8.036 -1.970 9.670 1.00 0.00 H new ATOM 0 HA ALA A 21 8.585 -0.468 7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.386 1.437 8.856 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.092 0.248 9.137 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.475 0.338 10.254 1.00 0.00 H new ATOM 271 N LEU A 22 11.045 -0.818 9.474 1.00 0.00 N ATOM 272 CA LEU A 22 12.482 -0.675 9.635 1.00 0.00 C ATOM 273 C LEU A 22 13.173 -1.966 9.188 1.00 0.00 C ATOM 274 O LEU A 22 14.048 -1.939 8.324 1.00 0.00 O ATOM 275 CB LEU A 22 12.822 -0.261 11.067 1.00 0.00 C ATOM 276 CG LEU A 22 14.198 0.375 11.273 1.00 0.00 C ATOM 277 CD1 LEU A 22 15.088 -0.514 12.145 1.00 0.00 C ATOM 278 CD2 LEU A 22 14.856 0.704 9.933 1.00 0.00 C ATOM 0 H LEU A 22 10.573 -1.281 10.251 1.00 0.00 H new ATOM 0 HA LEU A 22 12.858 0.126 8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.064 0.443 11.410 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.752 -1.142 11.705 1.00 0.00 H new ATOM 0 HG LEU A 22 14.062 1.317 11.805 1.00 0.00 H new ATOM 0 HD11 LEU A 22 16.060 -0.039 12.276 1.00 0.00 H new ATOM 0 HD12 LEU A 22 14.619 -0.655 13.119 1.00 0.00 H new ATOM 0 HD13 LEU A 22 15.220 -1.482 11.662 1.00 0.00 H new ATOM 0 HD21 LEU A 22 15.833 1.155 10.108 1.00 0.00 H new ATOM 0 HD22 LEU A 22 14.978 -0.211 9.353 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.228 1.403 9.381 1.00 0.00 H new ATOM 289 N CYS A 23 12.752 -3.065 9.797 1.00 0.00 N ATOM 290 CA CYS A 23 13.318 -4.363 9.472 1.00 0.00 C ATOM 291 C CYS A 23 12.357 -5.084 8.525 1.00 0.00 C ATOM 292 O CYS A 23 11.308 -4.547 8.172 1.00 0.00 O ATOM 293 CB CYS A 23 13.605 -5.186 10.730 1.00 0.00 C ATOM 294 SG CYS A 23 15.205 -6.057 10.558 1.00 0.00 S ATOM 0 H CYS A 23 12.026 -3.083 10.513 1.00 0.00 H new ATOM 0 HA CYS A 23 14.280 -4.229 8.978 1.00 0.00 H new ATOM 0 HB2 CYS A 23 13.629 -4.534 11.603 1.00 0.00 H new ATOM 0 HB3 CYS A 23 12.805 -5.908 10.893 1.00 0.00 H new ATOM 0 HG CYS A 23 15.439 -6.750 11.632 1.00 0.00 H new ATOM 299 N GLY A 24 12.749 -6.290 8.142 1.00 0.00 N ATOM 300 CA GLY A 24 11.934 -7.090 7.242 1.00 0.00 C ATOM 301 C GLY A 24 12.510 -8.500 7.089 1.00 0.00 C ATOM 302 O GLY A 24 12.929 -8.888 6.000 1.00 0.00 O ATOM 0 H GLY A 24 13.619 -6.733 8.438 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.915 -7.149 7.624 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.881 -6.607 6.266 1.00 0.00 H new ATOM 306 N ALA A 25 12.511 -9.227 8.197 1.00 0.00 N ATOM 307 CA ALA A 25 13.028 -10.585 8.200 1.00 0.00 C ATOM 308 C ALA A 25 11.868 -11.567 8.375 1.00 0.00 C ATOM 309 O ALA A 25 11.838 -12.617 7.735 1.00 0.00 O ATOM 310 CB ALA A 25 14.083 -10.728 9.297 1.00 0.00 C ATOM 0 H ALA A 25 12.162 -8.901 9.098 1.00 0.00 H new ATOM 0 HA ALA A 25 13.513 -10.813 7.251 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.470 -11.747 9.299 1.00 0.00 H new ATOM 0 HB2 ALA A 25 14.899 -10.030 9.110 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.633 -10.509 10.265 1.00 0.00 H new ATOM 316 N THR A 26 10.942 -11.191 9.244 1.00 0.00 N ATOM 317 CA THR A 26 9.783 -12.025 9.511 1.00 0.00 C ATOM 318 C THR A 26 8.616 -11.624 8.606 1.00 0.00 C ATOM 319 O THR A 26 8.293 -10.444 8.490 1.00 0.00 O ATOM 320 CB THR A 26 9.458 -11.919 11.002 1.00 0.00 C ATOM 321 OG1 THR A 26 10.016 -13.105 11.564 1.00 0.00 O ATOM 322 CG2 THR A 26 7.960 -12.044 11.285 1.00 0.00 C ATOM 0 H THR A 26 10.971 -10.319 9.773 1.00 0.00 H new ATOM 0 HA THR A 26 9.988 -13.071 9.281 1.00 0.00 H new ATOM 0 HB THR A 26 9.822 -10.966 11.386 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.852 -13.117 12.530 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.784 -11.962 12.358 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.424 -11.248 10.768 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.602 -13.011 10.932 1.00 0.00 H new ATOM 330 N TRP A 27 8.018 -12.631 7.984 1.00 0.00 N ATOM 331 CA TRP A 27 6.895 -12.398 7.093 1.00 0.00 C ATOM 332 C TRP A 27 5.790 -13.393 7.454 1.00 0.00 C ATOM 333 O TRP A 27 6.061 -14.438 8.044 1.00 0.00 O ATOM 334 CB TRP A 27 7.329 -12.491 5.629 1.00 0.00 C ATOM 335 CG TRP A 27 8.312 -13.628 5.343 1.00 0.00 C ATOM 336 CD1 TRP A 27 8.317 -14.865 5.858 1.00 0.00 C ATOM 337 CD2 TRP A 27 9.441 -13.583 4.445 1.00 0.00 C ATOM 338 NE1 TRP A 27 9.362 -15.617 5.362 1.00 0.00 N ATOM 339 CE2 TRP A 27 10.068 -14.813 4.476 1.00 0.00 C ATOM 340 CE3 TRP A 27 9.919 -12.538 3.635 1.00 0.00 C ATOM 341 CZ2 TRP A 27 11.205 -15.112 3.717 1.00 0.00 C ATOM 342 CZ3 TRP A 27 11.057 -12.853 2.884 1.00 0.00 C ATOM 343 CH2 TRP A 27 11.699 -14.086 2.903 1.00 0.00 C ATOM 0 H TRP A 27 8.291 -13.609 8.080 1.00 0.00 H new ATOM 0 HA TRP A 27 6.507 -11.387 7.218 1.00 0.00 H new ATOM 0 HB2 TRP A 27 6.444 -12.624 5.006 1.00 0.00 H new ATOM 0 HB3 TRP A 27 7.787 -11.546 5.336 1.00 0.00 H new ATOM 0 HD1 TRP A 27 7.593 -15.228 6.572 1.00 0.00 H new ATOM 0 HE1 TRP A 27 9.577 -16.585 5.602 1.00 0.00 H new ATOM 0 HE3 TRP A 27 9.445 -11.568 3.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 11.676 -16.083 3.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 11.465 -12.084 2.245 1.00 0.00 H new ATOM 0 HH2 TRP A 27 12.575 -14.251 2.293 1.00 0.00 H new ATOM 353 N GLY A 28 4.570 -13.033 7.084 1.00 0.00 N ATOM 354 CA GLY A 28 3.424 -13.882 7.361 1.00 0.00 C ATOM 355 C GLY A 28 2.146 -13.292 6.761 1.00 0.00 C ATOM 356 O GLY A 28 2.120 -12.123 6.376 1.00 0.00 O ATOM 0 H GLY A 28 4.350 -12.165 6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.597 -14.877 6.951 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.304 -13.997 8.438 1.00 0.00 H new ATOM 360 N ASP A 29 1.118 -14.125 6.701 1.00 0.00 N ATOM 361 CA ASP A 29 -0.159 -13.700 6.154 1.00 0.00 C ATOM 362 C ASP A 29 -1.186 -13.603 7.283 1.00 0.00 C ATOM 363 O ASP A 29 -2.343 -13.259 7.048 1.00 0.00 O ATOM 364 CB ASP A 29 -0.680 -14.706 5.125 1.00 0.00 C ATOM 365 CG ASP A 29 -0.728 -16.157 5.608 1.00 0.00 C ATOM 366 OD1 ASP A 29 -0.762 -16.427 6.818 1.00 0.00 O ATOM 367 OD2 ASP A 29 -0.732 -17.043 4.670 1.00 0.00 O ATOM 0 H ASP A 29 1.143 -15.093 7.022 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.014 -12.733 5.672 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.683 -14.406 4.821 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.050 -14.655 4.237 1.00 0.00 H new ATOM 372 N TYR A 30 -0.725 -13.915 8.487 1.00 0.00 N ATOM 373 CA TYR A 30 -1.590 -13.868 9.654 1.00 0.00 C ATOM 374 C TYR A 30 -1.825 -12.425 10.105 1.00 0.00 C ATOM 375 O TYR A 30 -2.773 -12.145 10.835 1.00 0.00 O ATOM 376 CB TYR A 30 -0.846 -14.620 10.759 1.00 0.00 C ATOM 377 CG TYR A 30 0.227 -13.789 11.465 1.00 0.00 C ATOM 378 CD1 TYR A 30 -0.140 -12.787 12.340 1.00 0.00 C ATOM 379 CD2 TYR A 30 1.563 -14.042 11.225 1.00 0.00 C ATOM 380 CE1 TYR A 30 0.870 -12.006 13.003 1.00 0.00 C ATOM 381 CE2 TYR A 30 2.573 -13.260 11.889 1.00 0.00 C ATOM 382 CZ TYR A 30 2.178 -12.280 12.745 1.00 0.00 C ATOM 383 OH TYR A 30 3.132 -11.541 13.372 1.00 0.00 O ATOM 0 H TYR A 30 0.235 -14.201 8.679 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.562 -14.307 9.430 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.568 -14.965 11.499 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -0.380 -15.507 10.330 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.185 -12.589 12.527 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.850 -14.826 10.540 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.596 -11.219 13.691 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.622 -13.448 11.711 1.00 0.00 H new ATOM 0 HH TYR A 30 4.020 -11.848 13.093 1.00 0.00 H new ATOM 392 N HIS A 31 -0.944 -11.545 9.649 1.00 0.00 N ATOM 393 CA HIS A 31 -1.043 -10.138 9.997 1.00 0.00 C ATOM 394 C HIS A 31 -1.471 -9.335 8.766 1.00 0.00 C ATOM 395 O HIS A 31 -1.326 -9.799 7.636 1.00 0.00 O ATOM 396 CB HIS A 31 0.267 -9.635 10.607 1.00 0.00 C ATOM 397 CG HIS A 31 1.496 -9.998 9.807 1.00 0.00 C ATOM 398 ND1 HIS A 31 2.719 -10.449 10.208 1.00 0.00 N flip ATOM 399 CD2 HIS A 31 1.545 -9.909 8.427 1.00 0.00 C flip ATOM 400 CE1 HIS A 31 3.474 -10.628 9.132 1.00 0.00 C flip ATOM 401 NE2 HIS A 31 2.748 -10.293 8.026 1.00 0.00 N flip ATOM 0 H HIS A 31 -0.159 -11.780 9.042 1.00 0.00 H new ATOM 0 HA HIS A 31 -1.807 -10.001 10.762 1.00 0.00 H new ATOM 0 HB2 HIS A 31 0.217 -8.551 10.706 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.367 -10.042 11.613 1.00 0.00 H new ATOM 0 HD1 HIS A 31 3.005 -10.620 11.172 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.740 -9.582 7.786 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.495 -10.981 9.131 1.00 0.00 H new ATOM 0 HE2 HIS A 31 3.074 -10.331 7.060 1.00 0.00 H new ATOM 408 N ALA A 32 -1.989 -8.144 9.028 1.00 0.00 N ATOM 409 CA ALA A 32 -2.439 -7.272 7.956 1.00 0.00 C ATOM 410 C ALA A 32 -1.372 -6.209 7.688 1.00 0.00 C ATOM 411 O ALA A 32 -0.818 -5.631 8.622 1.00 0.00 O ATOM 412 CB ALA A 32 -3.790 -6.660 8.329 1.00 0.00 C ATOM 0 H ALA A 32 -2.107 -7.762 9.967 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.580 -7.837 7.035 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.128 -6.006 7.525 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.520 -7.455 8.481 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.687 -6.082 9.247 1.00 0.00 H new ATOM 418 N ASP A 33 -1.115 -5.985 6.408 1.00 0.00 N ATOM 419 CA ASP A 33 -0.124 -5.001 6.005 1.00 0.00 C ATOM 420 C ASP A 33 -0.781 -3.621 5.929 1.00 0.00 C ATOM 421 O ASP A 33 -1.984 -3.516 5.694 1.00 0.00 O ATOM 422 CB ASP A 33 0.449 -5.329 4.624 1.00 0.00 C ATOM 423 CG ASP A 33 -0.043 -4.428 3.490 1.00 0.00 C ATOM 424 OD1 ASP A 33 -1.202 -4.520 3.057 1.00 0.00 O ATOM 425 OD2 ASP A 33 0.830 -3.591 3.040 1.00 0.00 O ATOM 0 H ASP A 33 -1.575 -6.468 5.636 1.00 0.00 H new ATOM 0 HA ASP A 33 0.680 -5.012 6.741 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.536 -5.265 4.674 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.202 -6.362 4.380 1.00 0.00 H new ATOM 430 N PHE A 34 0.036 -2.599 6.131 1.00 0.00 N ATOM 431 CA PHE A 34 -0.452 -1.231 6.089 1.00 0.00 C ATOM 432 C PHE A 34 -0.088 -0.561 4.762 1.00 0.00 C ATOM 433 O PHE A 34 0.538 -1.178 3.901 1.00 0.00 O ATOM 434 CB PHE A 34 0.231 -0.477 7.231 1.00 0.00 C ATOM 435 CG PHE A 34 -0.350 -0.782 8.613 1.00 0.00 C ATOM 436 CD1 PHE A 34 -1.173 -1.852 8.784 1.00 0.00 C ATOM 437 CD2 PHE A 34 -0.044 0.017 9.671 1.00 0.00 C ATOM 438 CE1 PHE A 34 -1.712 -2.135 10.066 1.00 0.00 C ATOM 439 CE2 PHE A 34 -0.585 -0.266 10.953 1.00 0.00 C ATOM 440 CZ PHE A 34 -1.407 -1.335 11.124 1.00 0.00 C ATOM 0 H PHE A 34 1.033 -2.690 6.324 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.538 -1.220 6.186 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.293 -0.724 7.232 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.153 0.594 7.044 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.416 -2.486 7.944 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.610 0.866 9.536 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.364 -2.985 10.202 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.343 0.369 11.793 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.818 -1.550 12.099 1.00 0.00 H new ATOM 449 N LEU A 35 -0.496 0.693 4.638 1.00 0.00 N ATOM 450 CA LEU A 35 -0.221 1.455 3.432 1.00 0.00 C ATOM 451 C LEU A 35 1.292 1.575 3.243 1.00 0.00 C ATOM 452 O LEU A 35 1.765 1.837 2.138 1.00 0.00 O ATOM 453 CB LEU A 35 -0.946 2.802 3.471 1.00 0.00 C ATOM 454 CG LEU A 35 -2.395 2.798 2.981 1.00 0.00 C ATOM 455 CD1 LEU A 35 -2.522 3.518 1.637 1.00 0.00 C ATOM 456 CD2 LEU A 35 -2.951 1.374 2.923 1.00 0.00 C ATOM 0 H LEU A 35 -1.016 1.201 5.354 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.611 0.936 2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.931 3.171 4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.382 3.514 2.868 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.000 3.350 3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.562 3.500 1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.193 4.552 1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.901 3.016 0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.982 1.400 2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.349 0.776 2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.918 0.930 3.918 1.00 0.00 H new ATOM 467 N GLY A 36 2.010 1.378 4.339 1.00 0.00 N ATOM 468 CA GLY A 36 3.461 1.461 4.309 1.00 0.00 C ATOM 469 C GLY A 36 4.081 0.107 3.959 1.00 0.00 C ATOM 470 O GLY A 36 5.172 -0.218 4.424 1.00 0.00 O ATOM 0 H GLY A 36 1.614 1.161 5.254 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.771 2.207 3.577 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.830 1.794 5.279 1.00 0.00 H new ATOM 474 N GLU A 37 3.358 -0.646 3.143 1.00 0.00 N ATOM 475 CA GLU A 37 3.823 -1.957 2.726 1.00 0.00 C ATOM 476 C GLU A 37 4.539 -2.659 3.883 1.00 0.00 C ATOM 477 O GLU A 37 5.555 -3.321 3.678 1.00 0.00 O ATOM 478 CB GLU A 37 4.734 -1.853 1.501 1.00 0.00 C ATOM 479 CG GLU A 37 5.890 -0.884 1.758 1.00 0.00 C ATOM 480 CD GLU A 37 6.980 -1.037 0.696 1.00 0.00 C ATOM 481 OE1 GLU A 37 8.138 -0.665 0.938 1.00 0.00 O ATOM 482 OE2 GLU A 37 6.589 -1.565 -0.414 1.00 0.00 O ATOM 0 H GLU A 37 2.453 -0.373 2.760 1.00 0.00 H new ATOM 0 HA GLU A 37 2.956 -2.555 2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.129 -2.838 1.252 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.156 -1.515 0.641 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.518 0.140 1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.311 -1.069 2.746 1.00 0.00 H new ATOM 488 N ASP A 38 3.980 -2.490 5.072 1.00 0.00 N ATOM 489 CA ASP A 38 4.552 -3.099 6.261 1.00 0.00 C ATOM 490 C ASP A 38 3.435 -3.399 7.263 1.00 0.00 C ATOM 491 O ASP A 38 2.353 -2.820 7.183 1.00 0.00 O ATOM 492 CB ASP A 38 5.553 -2.158 6.935 1.00 0.00 C ATOM 493 CG ASP A 38 6.674 -1.648 6.027 1.00 0.00 C ATOM 494 OD1 ASP A 38 6.937 -0.438 5.955 1.00 0.00 O ATOM 495 OD2 ASP A 38 7.297 -2.563 5.365 1.00 0.00 O ATOM 0 H ASP A 38 3.137 -1.940 5.238 1.00 0.00 H new ATOM 0 HA ASP A 38 5.064 -4.013 5.959 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.011 -1.301 7.334 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.000 -2.675 7.784 1.00 0.00 H new ATOM 500 N LEU A 39 3.738 -4.302 8.185 1.00 0.00 N ATOM 501 CA LEU A 39 2.773 -4.685 9.201 1.00 0.00 C ATOM 502 C LEU A 39 3.412 -4.542 10.584 1.00 0.00 C ATOM 503 O LEU A 39 4.574 -4.896 10.774 1.00 0.00 O ATOM 504 CB LEU A 39 2.224 -6.085 8.919 1.00 0.00 C ATOM 505 CG LEU A 39 3.152 -7.027 8.150 1.00 0.00 C ATOM 506 CD1 LEU A 39 3.413 -6.506 6.735 1.00 0.00 C ATOM 507 CD2 LEU A 39 4.453 -7.266 8.921 1.00 0.00 C ATOM 0 H LEU A 39 4.637 -4.779 8.249 1.00 0.00 H new ATOM 0 HA LEU A 39 1.910 -4.019 9.177 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.971 -6.553 9.870 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.296 -5.983 8.357 1.00 0.00 H new ATOM 0 HG LEU A 39 2.654 -7.991 8.052 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.076 -7.194 6.210 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.469 -6.429 6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.881 -5.523 6.790 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.095 -7.939 8.352 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.966 -6.316 9.072 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.226 -7.713 9.889 1.00 0.00 H new ATOM 518 N PHE A 40 2.623 -4.023 11.514 1.00 0.00 N ATOM 519 CA PHE A 40 3.098 -3.829 12.874 1.00 0.00 C ATOM 520 C PHE A 40 2.507 -4.881 13.815 1.00 0.00 C ATOM 521 O PHE A 40 2.720 -4.824 15.025 1.00 0.00 O ATOM 522 CB PHE A 40 2.629 -2.442 13.318 1.00 0.00 C ATOM 523 CG PHE A 40 1.290 -2.446 14.058 1.00 0.00 C ATOM 524 CD1 PHE A 40 0.287 -3.266 13.644 1.00 0.00 C ATOM 525 CD2 PHE A 40 1.103 -1.630 15.129 1.00 0.00 C ATOM 526 CE1 PHE A 40 -0.956 -3.269 14.331 1.00 0.00 C ATOM 527 CE2 PHE A 40 -0.140 -1.633 15.816 1.00 0.00 C ATOM 528 CZ PHE A 40 -1.143 -2.452 15.403 1.00 0.00 C ATOM 0 H PHE A 40 1.659 -3.731 11.353 1.00 0.00 H new ATOM 0 HA PHE A 40 4.184 -3.920 12.906 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.389 -2.002 13.965 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.546 -1.800 12.441 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.436 -3.915 12.793 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.900 -0.979 15.458 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.753 -3.920 14.003 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.288 -0.984 16.667 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.088 -2.454 15.926 1.00 0.00 H new ATOM 537 N PHE A 41 1.777 -5.814 13.224 1.00 0.00 N ATOM 538 CA PHE A 41 1.153 -6.877 13.995 1.00 0.00 C ATOM 539 C PHE A 41 2.173 -7.956 14.365 1.00 0.00 C ATOM 540 O PHE A 41 1.832 -8.939 15.021 1.00 0.00 O ATOM 541 CB PHE A 41 0.072 -7.496 13.109 1.00 0.00 C ATOM 542 CG PHE A 41 -1.357 -7.213 13.580 1.00 0.00 C ATOM 543 CD1 PHE A 41 -1.677 -7.342 14.895 1.00 0.00 C ATOM 544 CD2 PHE A 41 -2.304 -6.830 12.683 1.00 0.00 C ATOM 545 CE1 PHE A 41 -3.003 -7.079 15.332 1.00 0.00 C ATOM 546 CE2 PHE A 41 -3.630 -6.566 13.120 1.00 0.00 C ATOM 547 CZ PHE A 41 -3.951 -6.696 14.436 1.00 0.00 C ATOM 0 H PHE A 41 1.603 -5.857 12.220 1.00 0.00 H new ATOM 0 HA PHE A 41 0.739 -6.474 14.919 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.190 -7.119 12.093 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.223 -8.575 13.069 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.923 -7.644 15.607 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.049 -6.726 11.639 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.258 -7.183 16.376 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.383 -6.262 12.408 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.959 -6.495 14.769 1.00 0.00 H new ATOM 556 N CYS A 42 3.405 -7.736 13.930 1.00 0.00 N ATOM 557 CA CYS A 42 4.476 -8.677 14.206 1.00 0.00 C ATOM 558 C CYS A 42 5.240 -8.187 15.439 1.00 0.00 C ATOM 559 O CYS A 42 5.311 -8.887 16.448 1.00 0.00 O ATOM 560 CB CYS A 42 5.398 -8.857 12.998 1.00 0.00 C ATOM 561 SG CYS A 42 5.653 -7.251 12.162 1.00 0.00 S ATOM 0 H CYS A 42 3.685 -6.919 13.388 1.00 0.00 H new ATOM 0 HA CYS A 42 4.055 -9.662 14.408 1.00 0.00 H new ATOM 0 HB2 CYS A 42 6.356 -9.266 13.319 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.963 -9.574 12.302 1.00 0.00 H new ATOM 0 HG CYS A 42 6.872 -6.847 12.361 1.00 0.00 H new ATOM 566 N CYS A 43 5.789 -6.988 15.316 1.00 0.00 N ATOM 567 CA CYS A 43 6.546 -6.397 16.408 1.00 0.00 C ATOM 568 C CYS A 43 5.738 -5.224 16.970 1.00 0.00 C ATOM 569 O CYS A 43 5.380 -5.220 18.146 1.00 0.00 O ATOM 570 CB CYS A 43 7.942 -5.965 15.959 1.00 0.00 C ATOM 571 SG CYS A 43 8.914 -7.427 15.444 1.00 0.00 S ATOM 0 H CYS A 43 5.725 -6.410 14.478 1.00 0.00 H new ATOM 0 HA CYS A 43 6.702 -7.139 17.191 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.865 -5.260 15.132 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.451 -5.448 16.772 1.00 0.00 H new ATOM 0 HG CYS A 43 10.098 -7.049 15.062 1.00 0.00 H new ATOM 576 N ASP A 44 5.477 -4.257 16.102 1.00 0.00 N ATOM 577 CA ASP A 44 4.719 -3.082 16.497 1.00 0.00 C ATOM 578 C ASP A 44 5.608 -2.168 17.342 1.00 0.00 C ATOM 579 O ASP A 44 5.115 -1.261 18.011 1.00 0.00 O ATOM 580 CB ASP A 44 3.502 -3.468 17.339 1.00 0.00 C ATOM 581 CG ASP A 44 3.570 -3.042 18.807 1.00 0.00 C ATOM 582 OD1 ASP A 44 3.153 -1.933 19.171 1.00 0.00 O ATOM 583 OD2 ASP A 44 4.084 -3.917 19.605 1.00 0.00 O ATOM 0 H ASP A 44 5.777 -4.263 15.127 1.00 0.00 H new ATOM 0 HA ASP A 44 4.384 -2.577 15.591 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.613 -3.026 16.889 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.377 -4.550 17.296 1.00 0.00 H new ATOM 588 N ILE A 45 6.904 -2.438 17.286 1.00 0.00 N ATOM 589 CA ILE A 45 7.867 -1.651 18.039 1.00 0.00 C ATOM 590 C ILE A 45 8.596 -0.701 17.087 1.00 0.00 C ATOM 591 O ILE A 45 8.614 0.509 17.305 1.00 0.00 O ATOM 592 CB ILE A 45 8.803 -2.565 18.832 1.00 0.00 C ATOM 593 CG1 ILE A 45 9.500 -1.795 19.954 1.00 0.00 C ATOM 594 CG2 ILE A 45 9.802 -3.263 17.907 1.00 0.00 C ATOM 595 CD1 ILE A 45 8.722 -1.913 21.266 1.00 0.00 C ATOM 0 H ILE A 45 7.310 -3.191 16.731 1.00 0.00 H new ATOM 0 HA ILE A 45 7.359 -1.034 18.780 1.00 0.00 H new ATOM 0 HB ILE A 45 8.203 -3.344 19.302 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.511 -2.180 20.091 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.594 -0.745 19.676 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.455 -3.906 18.496 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.262 -3.865 17.177 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.401 -2.515 17.388 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.240 -1.356 22.047 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.720 -1.505 21.133 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.651 -2.962 21.554 1.00 0.00 H new ATOM 606 N CYS A 46 9.181 -1.285 16.051 1.00 0.00 N ATOM 607 CA CYS A 46 9.912 -0.506 15.067 1.00 0.00 C ATOM 608 C CYS A 46 9.004 -0.296 13.852 1.00 0.00 C ATOM 609 O CYS A 46 9.327 0.486 12.959 1.00 0.00 O ATOM 610 CB CYS A 46 11.234 -1.172 14.683 1.00 0.00 C ATOM 611 SG CYS A 46 10.911 -2.768 13.848 1.00 0.00 S ATOM 0 H CYS A 46 9.163 -2.289 15.872 1.00 0.00 H new ATOM 0 HA CYS A 46 10.181 0.461 15.492 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.803 -0.516 14.024 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.841 -1.334 15.574 1.00 0.00 H new ATOM 0 HG CYS A 46 12.040 -3.325 13.524 1.00 0.00 H new ATOM 616 N ALA A 47 7.888 -1.010 13.857 1.00 0.00 N ATOM 617 CA ALA A 47 6.932 -0.912 12.768 1.00 0.00 C ATOM 618 C ALA A 47 5.784 0.009 13.182 1.00 0.00 C ATOM 619 O ALA A 47 5.676 0.388 14.348 1.00 0.00 O ATOM 620 CB ALA A 47 6.448 -2.313 12.386 1.00 0.00 C ATOM 0 H ALA A 47 7.625 -1.659 14.598 1.00 0.00 H new ATOM 0 HA ALA A 47 7.400 -0.476 11.885 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.730 -2.240 11.569 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.298 -2.918 12.070 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.971 -2.780 13.247 1.00 0.00 H new ATOM 626 N ALA A 48 4.954 0.344 12.205 1.00 0.00 N ATOM 627 CA ALA A 48 3.816 1.213 12.455 1.00 0.00 C ATOM 628 C ALA A 48 4.311 2.647 12.654 1.00 0.00 C ATOM 629 O ALA A 48 4.138 3.224 13.727 1.00 0.00 O ATOM 630 CB ALA A 48 3.032 0.694 13.662 1.00 0.00 C ATOM 0 H ALA A 48 5.047 0.030 11.239 1.00 0.00 H new ATOM 0 HA ALA A 48 3.138 1.213 11.602 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.179 1.346 13.849 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.679 -0.317 13.459 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.679 0.683 14.539 1.00 0.00 H new ATOM 636 N GLU A 49 4.917 3.182 11.604 1.00 0.00 N ATOM 637 CA GLU A 49 5.437 4.538 11.649 1.00 0.00 C ATOM 638 C GLU A 49 4.369 5.532 11.195 1.00 0.00 C ATOM 639 O GLU A 49 3.548 5.218 10.334 1.00 0.00 O ATOM 640 CB GLU A 49 6.704 4.668 10.800 1.00 0.00 C ATOM 641 CG GLU A 49 7.419 5.990 11.081 1.00 0.00 C ATOM 642 CD GLU A 49 8.508 5.811 12.142 1.00 0.00 C ATOM 643 OE1 GLU A 49 8.398 6.370 13.243 1.00 0.00 O ATOM 644 OE2 GLU A 49 9.494 5.057 11.788 1.00 0.00 O ATOM 0 H GLU A 49 5.060 2.700 10.716 1.00 0.00 H new ATOM 0 HA GLU A 49 5.705 4.769 12.680 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.375 3.835 11.012 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.445 4.608 9.743 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.862 6.370 10.161 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.697 6.734 11.418 1.00 0.00 H new ATOM 650 N PHE A 50 4.411 6.713 11.795 1.00 0.00 N ATOM 651 CA PHE A 50 3.456 7.756 11.463 1.00 0.00 C ATOM 652 C PHE A 50 3.786 8.392 10.112 1.00 0.00 C ATOM 653 O PHE A 50 3.089 9.301 9.661 1.00 0.00 O ATOM 654 CB PHE A 50 3.561 8.824 12.554 1.00 0.00 C ATOM 655 CG PHE A 50 2.444 9.868 12.514 1.00 0.00 C ATOM 656 CD1 PHE A 50 1.145 9.473 12.442 1.00 0.00 C ATOM 657 CD2 PHE A 50 2.751 11.192 12.548 1.00 0.00 C ATOM 658 CE1 PHE A 50 0.108 10.442 12.405 1.00 0.00 C ATOM 659 CE2 PHE A 50 1.714 12.162 12.510 1.00 0.00 C ATOM 660 CZ PHE A 50 0.415 11.767 12.439 1.00 0.00 C ATOM 0 H PHE A 50 5.092 6.970 12.509 1.00 0.00 H new ATOM 0 HA PHE A 50 2.453 7.334 11.401 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.552 8.335 13.528 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.521 9.331 12.460 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.902 8.421 12.413 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.783 11.506 12.604 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.924 10.128 12.350 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.958 13.214 12.538 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.373 12.505 12.410 1.00 0.00 H new ATOM 669 N MET A 51 4.850 7.891 9.501 1.00 0.00 N ATOM 670 CA MET A 51 5.282 8.399 8.210 1.00 0.00 C ATOM 671 C MET A 51 4.134 8.370 7.199 1.00 0.00 C ATOM 672 O MET A 51 4.080 9.199 6.292 1.00 0.00 O ATOM 673 CB MET A 51 6.443 7.550 7.690 1.00 0.00 C ATOM 674 CG MET A 51 6.612 7.719 6.179 1.00 0.00 C ATOM 675 SD MET A 51 8.030 6.791 5.615 1.00 0.00 S ATOM 676 CE MET A 51 7.573 5.159 6.174 1.00 0.00 C ATOM 0 H MET A 51 5.426 7.138 9.877 1.00 0.00 H new ATOM 0 HA MET A 51 5.605 9.432 8.336 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.364 7.838 8.197 1.00 0.00 H new ATOM 0 HB3 MET A 51 6.264 6.501 7.924 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.715 7.376 5.664 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.737 8.774 5.934 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.957 4.415 5.476 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.996 4.981 7.163 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.487 5.083 6.225 1.00 0.00 H new ATOM 684 N ASN A 52 3.245 7.406 7.388 1.00 0.00 N ATOM 685 CA ASN A 52 2.102 7.257 6.503 1.00 0.00 C ATOM 686 C ASN A 52 0.875 7.902 7.150 1.00 0.00 C ATOM 687 O ASN A 52 0.955 8.421 8.263 1.00 0.00 O ATOM 688 CB ASN A 52 1.786 5.781 6.254 1.00 0.00 C ATOM 689 CG ASN A 52 2.378 5.310 4.925 1.00 0.00 C ATOM 690 OD1 ASN A 52 3.202 4.411 4.867 1.00 0.00 O ATOM 691 ND2 ASN A 52 1.915 5.965 3.864 1.00 0.00 N ATOM 0 H ASN A 52 3.293 6.720 8.141 1.00 0.00 H new ATOM 0 HA ASN A 52 2.344 7.738 5.555 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.186 5.177 7.069 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.706 5.633 6.248 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.249 5.725 2.931 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.226 6.707 3.984 1.00 0.00 H new ATOM 697 N MET A 53 -0.233 7.848 6.426 1.00 0.00 N ATOM 698 CA MET A 53 -1.476 8.420 6.916 1.00 0.00 C ATOM 699 C MET A 53 -2.233 7.420 7.792 1.00 0.00 C ATOM 700 O MET A 53 -2.091 6.209 7.621 1.00 0.00 O ATOM 701 CB MET A 53 -2.353 8.827 5.731 1.00 0.00 C ATOM 702 CG MET A 53 -2.761 10.298 5.829 1.00 0.00 C ATOM 703 SD MET A 53 -1.668 11.303 4.837 1.00 0.00 S ATOM 704 CE MET A 53 -0.231 11.335 5.896 1.00 0.00 C ATOM 0 H MET A 53 -0.296 7.417 5.504 1.00 0.00 H new ATOM 0 HA MET A 53 -1.237 9.295 7.520 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.813 8.657 4.799 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.244 8.200 5.702 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.790 10.422 5.490 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.726 10.625 6.868 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.402 12.179 5.624 1.00 0.00 H new ATOM 0 HE2 MET A 53 -0.546 11.437 6.934 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.330 10.408 5.777 1.00 0.00 H new ATOM 712 N MET A 54 -3.019 7.962 8.710 1.00 0.00 N ATOM 713 CA MET A 54 -3.798 7.131 9.613 1.00 0.00 C ATOM 714 C MET A 54 -4.645 6.122 8.835 1.00 0.00 C ATOM 715 O MET A 54 -4.849 4.997 9.290 1.00 0.00 O ATOM 716 CB MET A 54 -4.712 8.018 10.462 1.00 0.00 C ATOM 717 CG MET A 54 -5.296 7.234 11.638 1.00 0.00 C ATOM 718 SD MET A 54 -6.980 6.763 11.282 1.00 0.00 S ATOM 719 CE MET A 54 -7.820 8.286 11.683 1.00 0.00 C ATOM 0 H MET A 54 -3.134 8.966 8.848 1.00 0.00 H new ATOM 0 HA MET A 54 -3.111 6.581 10.256 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.150 8.875 10.834 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.520 8.411 9.845 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.694 6.346 11.828 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.263 7.841 12.543 1.00 0.00 H new ATOM 0 HE1 MET A 54 -8.890 8.166 11.516 1.00 0.00 H new ATOM 0 HE2 MET A 54 -7.642 8.535 12.729 1.00 0.00 H new ATOM 0 HE3 MET A 54 -7.441 9.088 11.049 1.00 0.00 H new ATOM 727 N ASP A 55 -5.115 6.559 7.676 1.00 0.00 N ATOM 728 CA ASP A 55 -5.936 5.708 6.832 1.00 0.00 C ATOM 729 C ASP A 55 -5.305 4.316 6.753 1.00 0.00 C ATOM 730 O ASP A 55 -6.014 3.313 6.688 1.00 0.00 O ATOM 731 CB ASP A 55 -6.027 6.266 5.411 1.00 0.00 C ATOM 732 CG ASP A 55 -6.059 5.212 4.302 1.00 0.00 C ATOM 733 OD1 ASP A 55 -5.128 4.406 4.161 1.00 0.00 O ATOM 734 OD2 ASP A 55 -7.109 5.240 3.553 1.00 0.00 O ATOM 0 H ASP A 55 -4.943 7.492 7.301 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.934 5.663 7.267 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.925 6.879 5.335 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.176 6.925 5.241 1.00 0.00 H new ATOM 739 N GLU A 56 -3.981 4.301 6.761 1.00 0.00 N ATOM 740 CA GLU A 56 -3.247 3.049 6.692 1.00 0.00 C ATOM 741 C GLU A 56 -3.862 2.019 7.642 1.00 0.00 C ATOM 742 O GLU A 56 -3.955 0.838 7.309 1.00 0.00 O ATOM 743 CB GLU A 56 -1.764 3.264 7.002 1.00 0.00 C ATOM 744 CG GLU A 56 -1.575 3.834 8.409 1.00 0.00 C ATOM 745 CD GLU A 56 -1.217 2.729 9.405 1.00 0.00 C ATOM 746 OE1 GLU A 56 -0.285 2.894 10.205 1.00 0.00 O ATOM 747 OE2 GLU A 56 -1.947 1.668 9.328 1.00 0.00 O ATOM 0 H GLU A 56 -3.397 5.136 6.814 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.319 2.665 5.675 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.230 2.318 6.914 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.330 3.944 6.269 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.787 4.587 8.397 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.489 4.334 8.728 1.00 0.00 H new ATOM 753 N ALA A 57 -4.265 2.503 8.807 1.00 0.00 N ATOM 754 CA ALA A 57 -4.868 1.640 9.809 1.00 0.00 C ATOM 755 C ALA A 57 -6.196 1.100 9.276 1.00 0.00 C ATOM 756 O ALA A 57 -6.423 -0.109 9.275 1.00 0.00 O ATOM 757 CB ALA A 57 -5.036 2.415 11.117 1.00 0.00 C ATOM 0 H ALA A 57 -4.186 3.483 9.080 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.224 0.786 10.018 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.488 1.767 11.868 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.061 2.752 11.468 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.679 3.279 10.948 1.00 0.00 H new ATOM 763 N PHE A 58 -7.040 2.021 8.837 1.00 0.00 N ATOM 764 CA PHE A 58 -8.340 1.652 8.303 1.00 0.00 C ATOM 765 C PHE A 58 -8.199 0.619 7.183 1.00 0.00 C ATOM 766 O PHE A 58 -9.008 -0.303 7.078 1.00 0.00 O ATOM 767 CB PHE A 58 -8.967 2.926 7.730 1.00 0.00 C ATOM 768 CG PHE A 58 -10.166 3.442 8.527 1.00 0.00 C ATOM 769 CD1 PHE A 58 -11.176 2.594 8.861 1.00 0.00 C ATOM 770 CD2 PHE A 58 -10.222 4.747 8.902 1.00 0.00 C ATOM 771 CE1 PHE A 58 -12.289 3.073 9.601 1.00 0.00 C ATOM 772 CE2 PHE A 58 -11.336 5.226 9.642 1.00 0.00 C ATOM 773 CZ PHE A 58 -12.346 4.378 9.975 1.00 0.00 C ATOM 0 H PHE A 58 -6.849 3.023 8.840 1.00 0.00 H new ATOM 0 HA PHE A 58 -8.955 1.214 9.090 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.207 3.706 7.690 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -9.281 2.734 6.704 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -11.131 1.557 8.563 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -9.420 5.420 8.637 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -13.091 2.400 9.867 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -11.381 6.263 9.940 1.00 0.00 H new ATOM 0 HZ PHE A 58 -13.193 4.742 10.537 1.00 0.00 H new ATOM 782 N LYS A 59 -7.168 0.808 6.373 1.00 0.00 N ATOM 783 CA LYS A 59 -6.911 -0.096 5.265 1.00 0.00 C ATOM 784 C LYS A 59 -6.971 -1.541 5.766 1.00 0.00 C ATOM 785 O LYS A 59 -7.694 -2.365 5.207 1.00 0.00 O ATOM 786 CB LYS A 59 -5.592 0.261 4.577 1.00 0.00 C ATOM 787 CG LYS A 59 -4.860 -0.998 4.107 1.00 0.00 C ATOM 788 CD LYS A 59 -5.640 -1.702 2.995 1.00 0.00 C ATOM 789 CE LYS A 59 -5.534 -0.929 1.679 1.00 0.00 C ATOM 790 NZ LYS A 59 -6.652 -1.289 0.776 1.00 0.00 N ATOM 0 H LYS A 59 -6.501 1.574 6.462 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.682 0.010 4.501 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.787 0.912 3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.958 0.819 5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.866 -0.732 3.747 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.723 -1.679 4.947 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.255 -2.713 2.859 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.687 -1.795 3.283 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.549 0.143 1.877 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.582 -1.150 1.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.280 -1.798 -0.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.326 -1.898 1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.136 -0.424 0.461 1.00 0.00 H new ATOM 799 N HIS A 60 -6.205 -1.802 6.815 1.00 0.00 N ATOM 800 CA HIS A 60 -6.163 -3.133 7.397 1.00 0.00 C ATOM 801 C HIS A 60 -7.589 -3.645 7.610 1.00 0.00 C ATOM 802 O HIS A 60 -7.944 -4.720 7.130 1.00 0.00 O ATOM 803 CB HIS A 60 -5.334 -3.137 8.683 1.00 0.00 C ATOM 804 CG HIS A 60 -6.152 -3.298 9.941 1.00 0.00 C ATOM 805 ND1 HIS A 60 -6.826 -4.465 10.252 1.00 0.00 N ATOM 806 CD2 HIS A 60 -6.396 -2.428 10.963 1.00 0.00 C ATOM 807 CE1 HIS A 60 -7.447 -4.294 11.410 1.00 0.00 C ATOM 808 NE2 HIS A 60 -7.178 -3.031 11.850 1.00 0.00 N ATOM 0 H HIS A 60 -5.609 -1.115 7.277 1.00 0.00 H new ATOM 0 HA HIS A 60 -5.666 -3.819 6.711 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -4.605 -3.945 8.630 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.773 -2.205 8.744 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -6.017 -1.419 11.038 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -8.059 -5.026 11.917 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -7.521 -2.618 12.717 1.00 0.00 H new ATOM 815 N THR A 61 -8.368 -2.850 8.330 1.00 0.00 N ATOM 816 CA THR A 61 -9.747 -3.210 8.612 1.00 0.00 C ATOM 817 C THR A 61 -10.564 -3.248 7.319 1.00 0.00 C ATOM 818 O THR A 61 -11.465 -4.072 7.173 1.00 0.00 O ATOM 819 CB THR A 61 -10.291 -2.222 9.646 1.00 0.00 C ATOM 820 OG1 THR A 61 -9.973 -2.821 10.900 1.00 0.00 O ATOM 821 CG2 THR A 61 -11.819 -2.153 9.643 1.00 0.00 C ATOM 0 H THR A 61 -8.070 -1.958 8.726 1.00 0.00 H new ATOM 0 HA THR A 61 -9.816 -4.214 9.032 1.00 0.00 H new ATOM 0 HB THR A 61 -9.883 -1.231 9.450 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.289 -2.245 11.627 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.152 -1.438 10.395 1.00 0.00 H new ATOM 0 HG22 THR A 61 -12.167 -1.835 8.660 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.228 -3.137 9.872 1.00 0.00 H new ATOM 829 N ALA A 62 -10.220 -2.344 6.413 1.00 0.00 N ATOM 830 CA ALA A 62 -10.909 -2.264 5.137 1.00 0.00 C ATOM 831 C ALA A 62 -10.686 -3.562 4.358 1.00 0.00 C ATOM 832 O ALA A 62 -11.641 -4.191 3.906 1.00 0.00 O ATOM 833 CB ALA A 62 -10.423 -1.032 4.370 1.00 0.00 C ATOM 0 H ALA A 62 -9.473 -1.661 6.538 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.983 -2.151 5.288 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.940 -0.972 3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.633 -0.135 4.952 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.349 -1.110 4.198 1.00 0.00 H new ATOM 839 N ARG A 63 -9.419 -3.924 4.226 1.00 0.00 N ATOM 840 CA ARG A 63 -9.057 -5.136 3.509 1.00 0.00 C ATOM 841 C ARG A 63 -9.249 -6.360 4.407 1.00 0.00 C ATOM 842 O ARG A 63 -8.829 -7.462 4.058 1.00 0.00 O ATOM 843 CB ARG A 63 -7.604 -5.083 3.034 1.00 0.00 C ATOM 844 CG ARG A 63 -7.292 -6.247 2.092 1.00 0.00 C ATOM 845 CD ARG A 63 -6.057 -7.017 2.562 1.00 0.00 C ATOM 846 NE ARG A 63 -6.144 -7.277 4.016 1.00 0.00 N ATOM 847 CZ ARG A 63 -5.145 -7.809 4.751 1.00 0.00 C ATOM 848 NH1 ARG A 63 -3.972 -8.142 4.174 1.00 0.00 N ATOM 849 NH2 ARG A 63 -5.334 -7.999 6.045 1.00 0.00 N ATOM 0 H ARG A 63 -8.630 -3.400 4.603 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.708 -5.213 2.638 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.419 -4.138 2.524 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.935 -5.117 3.894 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.148 -6.920 2.044 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.127 -5.869 1.083 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.978 -7.959 2.020 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.156 -6.445 2.340 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.014 -7.039 4.493 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.835 -7.992 3.174 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.222 -8.544 4.737 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.224 -7.745 6.473 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.590 -8.400 6.616 1.00 0.00 H new ATOM 859 N HIS A 64 -9.884 -6.126 5.546 1.00 0.00 N ATOM 860 CA HIS A 64 -10.137 -7.195 6.497 1.00 0.00 C ATOM 861 C HIS A 64 -11.357 -8.002 6.049 1.00 0.00 C ATOM 862 O HIS A 64 -11.302 -9.228 5.976 1.00 0.00 O ATOM 863 CB HIS A 64 -10.280 -6.640 7.915 1.00 0.00 C ATOM 864 CG HIS A 64 -10.243 -7.694 8.994 1.00 0.00 C ATOM 865 ND1 HIS A 64 -10.458 -9.040 8.934 1.00 0.00 N flip ATOM 866 CD2 HIS A 64 -9.958 -7.404 10.317 1.00 0.00 C flip ATOM 867 CE1 HIS A 64 -10.311 -9.544 10.153 1.00 0.00 C flip ATOM 868 NE2 HIS A 64 -10.001 -8.531 11.012 1.00 0.00 N flip ATOM 0 H HIS A 64 -10.231 -5.211 5.832 1.00 0.00 H new ATOM 0 HA HIS A 64 -9.285 -7.874 6.521 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -9.480 -5.922 8.095 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.221 -6.094 7.987 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -10.692 -9.569 8.094 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.738 -6.425 10.715 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -10.419 -10.585 10.421 1.00 0.00 H new ATOM 875 N ASN A 65 -12.430 -7.280 5.761 1.00 0.00 N ATOM 876 CA ASN A 65 -13.662 -7.913 5.322 1.00 0.00 C ATOM 877 C ASN A 65 -13.960 -7.497 3.880 1.00 0.00 C ATOM 878 O ASN A 65 -14.021 -8.341 2.988 1.00 0.00 O ATOM 879 CB ASN A 65 -14.844 -7.479 6.192 1.00 0.00 C ATOM 880 CG ASN A 65 -15.406 -8.662 6.983 1.00 0.00 C ATOM 881 OD1 ASN A 65 -15.278 -8.750 8.193 1.00 0.00 O ATOM 882 ND2 ASN A 65 -16.033 -9.564 6.234 1.00 0.00 N ATOM 0 H ASN A 65 -12.472 -6.263 5.823 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.532 -8.992 5.400 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -14.526 -6.695 6.880 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.626 -7.053 5.563 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -16.443 -10.391 6.668 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.104 -9.429 5.226 1.00 0.00 H new ATOM 888 N VAL A 66 -14.134 -6.196 3.697 1.00 0.00 N ATOM 889 CA VAL A 66 -14.423 -5.659 2.378 1.00 0.00 C ATOM 890 C VAL A 66 -13.119 -5.200 1.723 1.00 0.00 C ATOM 891 O VAL A 66 -12.041 -5.668 2.084 1.00 0.00 O ATOM 892 CB VAL A 66 -15.464 -4.541 2.485 1.00 0.00 C ATOM 893 CG1 VAL A 66 -16.285 -4.433 1.199 1.00 0.00 C ATOM 894 CG2 VAL A 66 -16.371 -4.752 3.699 1.00 0.00 C ATOM 0 H VAL A 66 -14.080 -5.499 4.440 1.00 0.00 H new ATOM 0 HA VAL A 66 -14.856 -6.428 1.738 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.933 -3.599 2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -17.017 -3.632 1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -15.622 -4.215 0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.802 -5.375 1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -17.101 -3.945 3.752 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -16.891 -5.705 3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -15.768 -4.756 4.607 1.00 0.00 H new ATOM 904 N ASP A 67 -13.261 -4.290 0.770 1.00 0.00 N ATOM 905 CA ASP A 67 -12.107 -3.764 0.061 1.00 0.00 C ATOM 906 C ASP A 67 -12.233 -2.243 -0.049 1.00 0.00 C ATOM 907 O ASP A 67 -13.322 -1.721 -0.285 1.00 0.00 O ATOM 908 CB ASP A 67 -12.025 -4.335 -1.357 1.00 0.00 C ATOM 909 CG ASP A 67 -13.366 -4.456 -2.085 1.00 0.00 C ATOM 910 OD1 ASP A 67 -14.053 -3.453 -2.327 1.00 0.00 O ATOM 911 OD2 ASP A 67 -13.702 -5.658 -2.411 1.00 0.00 O ATOM 0 H ASP A 67 -14.157 -3.904 0.473 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.212 -4.046 0.616 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -11.363 -3.703 -1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.565 -5.322 -1.309 1.00 0.00 H new ATOM 916 N GLU A 68 -11.103 -1.574 0.127 1.00 0.00 N ATOM 917 CA GLU A 68 -11.073 -0.123 0.051 1.00 0.00 C ATOM 918 C GLU A 68 -9.760 0.348 -0.580 1.00 0.00 C ATOM 919 O GLU A 68 -8.698 -0.206 -0.299 1.00 0.00 O ATOM 920 CB GLU A 68 -11.272 0.502 1.433 1.00 0.00 C ATOM 921 CG GLU A 68 -12.700 1.025 1.597 1.00 0.00 C ATOM 922 CD GLU A 68 -13.100 1.075 3.074 1.00 0.00 C ATOM 923 OE1 GLU A 68 -12.394 1.694 3.885 1.00 0.00 O ATOM 924 OE2 GLU A 68 -14.185 0.444 3.367 1.00 0.00 O ATOM 0 H GLU A 68 -10.202 -2.010 0.322 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.897 0.206 -0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.061 -0.238 2.205 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.563 1.319 1.572 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.778 2.021 1.161 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.391 0.383 1.051 1.00 0.00 H new ATOM 930 N LEU A 69 -9.877 1.366 -1.421 1.00 0.00 N ATOM 931 CA LEU A 69 -8.713 1.917 -2.094 1.00 0.00 C ATOM 932 C LEU A 69 -8.768 3.444 -2.027 1.00 0.00 C ATOM 933 O LEU A 69 -9.791 4.047 -2.348 1.00 0.00 O ATOM 934 CB LEU A 69 -8.607 1.366 -3.517 1.00 0.00 C ATOM 935 CG LEU A 69 -9.923 0.939 -4.171 1.00 0.00 C ATOM 936 CD1 LEU A 69 -10.824 2.148 -4.431 1.00 0.00 C ATOM 937 CD2 LEU A 69 -9.665 0.132 -5.445 1.00 0.00 C ATOM 0 H LEU A 69 -10.759 1.823 -1.651 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.798 1.608 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.142 2.125 -4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.935 0.508 -3.504 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.453 0.286 -3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.752 1.817 -4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.048 2.644 -3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.314 2.846 -5.095 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.616 -0.159 -5.890 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.104 0.741 -6.154 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.091 -0.761 -5.200 1.00 0.00 H new ATOM 948 N HIS A 70 -7.653 4.027 -1.609 1.00 0.00 N ATOM 949 CA HIS A 70 -7.562 5.473 -1.496 1.00 0.00 C ATOM 950 C HIS A 70 -6.148 5.927 -1.867 1.00 0.00 C ATOM 951 O HIS A 70 -5.169 5.278 -1.503 1.00 0.00 O ATOM 952 CB HIS A 70 -7.988 5.937 -0.103 1.00 0.00 C ATOM 953 CG HIS A 70 -8.458 4.822 0.800 1.00 0.00 C ATOM 954 ND1 HIS A 70 -7.782 3.766 1.338 1.00 0.00 N flip ATOM 955 CD2 HIS A 70 -9.766 4.713 1.240 1.00 0.00 C flip ATOM 956 CE1 HIS A 70 -8.630 3.053 2.069 1.00 0.00 C flip ATOM 957 NE2 HIS A 70 -9.862 3.639 2.009 1.00 0.00 N flip ATOM 0 H HIS A 70 -6.806 3.524 -1.345 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.253 5.941 -2.197 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.149 6.445 0.372 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.788 6.670 -0.205 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -10.572 5.390 0.997 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -8.386 2.157 2.620 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -10.707 3.308 2.474 1.00 0.00 H new ATOM 964 N ILE A 71 -6.087 7.039 -2.584 1.00 0.00 N ATOM 965 CA ILE A 71 -4.810 7.588 -3.007 1.00 0.00 C ATOM 966 C ILE A 71 -4.803 9.098 -2.763 1.00 0.00 C ATOM 967 O ILE A 71 -5.735 9.798 -3.157 1.00 0.00 O ATOM 968 CB ILE A 71 -4.513 7.198 -4.456 1.00 0.00 C ATOM 969 CG1 ILE A 71 -3.413 8.082 -5.047 1.00 0.00 C ATOM 970 CG2 ILE A 71 -5.787 7.224 -5.303 1.00 0.00 C ATOM 971 CD1 ILE A 71 -4.011 9.291 -5.769 1.00 0.00 C ATOM 0 H ILE A 71 -6.902 7.575 -2.883 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.999 7.165 -2.415 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.142 6.173 -4.465 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.748 8.421 -4.253 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.809 7.500 -5.743 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.548 6.943 -6.329 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.511 6.520 -4.893 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.211 8.228 -5.292 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.208 9.903 -6.180 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.657 8.949 -6.578 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.595 9.883 -5.064 1.00 0.00 H new ATOM 982 N ASP A 72 -3.742 9.556 -2.115 1.00 0.00 N ATOM 983 CA ASP A 72 -3.602 10.970 -1.814 1.00 0.00 C ATOM 984 C ASP A 72 -2.126 11.363 -1.906 1.00 0.00 C ATOM 985 O ASP A 72 -1.252 10.610 -1.479 1.00 0.00 O ATOM 986 CB ASP A 72 -4.087 11.283 -0.397 1.00 0.00 C ATOM 987 CG ASP A 72 -5.490 11.886 -0.311 1.00 0.00 C ATOM 988 OD1 ASP A 72 -5.924 12.622 -1.210 1.00 0.00 O ATOM 989 OD2 ASP A 72 -6.157 11.569 0.747 1.00 0.00 O ATOM 0 H ASP A 72 -2.971 8.972 -1.790 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.203 11.528 -2.532 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.067 10.364 0.189 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.383 11.973 0.068 1.00 0.00 H new ATOM 994 N GLY A 73 -1.894 12.541 -2.465 1.00 0.00 N ATOM 995 CA GLY A 73 -0.539 13.043 -2.619 1.00 0.00 C ATOM 996 C GLY A 73 -0.449 14.514 -2.207 1.00 0.00 C ATOM 997 O GLY A 73 -1.248 15.337 -2.653 1.00 0.00 O ATOM 0 H GLY A 73 -2.622 13.163 -2.817 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.144 12.449 -2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.222 12.932 -3.656 1.00 0.00 H new ATOM 1001 N ASN A 74 0.530 14.799 -1.362 1.00 0.00 N ATOM 1002 CA ASN A 74 0.735 16.157 -0.886 1.00 0.00 C ATOM 1003 C ASN A 74 2.233 16.412 -0.714 1.00 0.00 C ATOM 1004 O ASN A 74 2.966 15.539 -0.250 1.00 0.00 O ATOM 1005 CB ASN A 74 0.061 16.372 0.471 1.00 0.00 C ATOM 1006 CG ASN A 74 -1.174 15.479 0.618 1.00 0.00 C ATOM 1007 OD1 ASN A 74 -1.987 15.347 -0.282 1.00 0.00 O ATOM 1008 ND2 ASN A 74 -1.268 14.876 1.799 1.00 0.00 N ATOM 0 H ASN A 74 1.190 14.114 -0.994 1.00 0.00 H new ATOM 0 HA ASN A 74 0.302 16.839 -1.617 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.769 16.155 1.271 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.227 17.418 0.576 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -2.056 14.259 1.995 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.552 15.030 2.509 1.00 0.00 H new ATOM 1014 N TYR A 75 2.645 17.611 -1.098 1.00 0.00 N ATOM 1015 CA TYR A 75 4.043 17.993 -0.993 1.00 0.00 C ATOM 1016 C TYR A 75 4.452 18.181 0.470 1.00 0.00 C ATOM 1017 O TYR A 75 5.619 18.436 0.764 1.00 0.00 O ATOM 1018 CB TYR A 75 4.172 19.330 -1.723 1.00 0.00 C ATOM 1019 CG TYR A 75 3.775 20.541 -0.877 1.00 0.00 C ATOM 1020 CD1 TYR A 75 2.703 20.457 -0.012 1.00 0.00 C ATOM 1021 CD2 TYR A 75 4.488 21.718 -0.980 1.00 0.00 C ATOM 1022 CE1 TYR A 75 2.329 21.597 0.784 1.00 0.00 C ATOM 1023 CE2 TYR A 75 4.114 22.859 -0.184 1.00 0.00 C ATOM 1024 CZ TYR A 75 3.053 22.742 0.660 1.00 0.00 C ATOM 1025 OH TYR A 75 2.700 23.819 1.412 1.00 0.00 O ATOM 0 H TYR A 75 2.034 18.332 -1.483 1.00 0.00 H new ATOM 0 HA TYR A 75 4.684 17.222 -1.419 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.203 19.453 -2.054 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.550 19.305 -2.618 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.145 19.536 0.068 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.327 21.784 -1.657 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.492 21.544 1.465 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.663 23.786 -0.255 1.00 0.00 H new ATOM 0 HH TYR A 75 3.306 24.565 1.220 1.00 0.00 H new ATOM 1034 N GLN A 76 3.467 18.050 1.347 1.00 0.00 N ATOM 1035 CA GLN A 76 3.709 18.204 2.771 1.00 0.00 C ATOM 1036 C GLN A 76 3.608 16.849 3.476 1.00 0.00 C ATOM 1037 O GLN A 76 3.970 16.725 4.645 1.00 0.00 O ATOM 1038 CB GLN A 76 2.741 19.215 3.387 1.00 0.00 C ATOM 1039 CG GLN A 76 3.423 20.027 4.489 1.00 0.00 C ATOM 1040 CD GLN A 76 4.597 20.832 3.931 1.00 0.00 C ATOM 1041 OE1 GLN A 76 5.697 20.776 4.679 1.00 0.00 O flip ATOM 1042 NE2 GLN A 76 4.513 21.463 2.890 1.00 0.00 N flip ATOM 0 H GLN A 76 2.500 17.839 1.099 1.00 0.00 H new ATOM 0 HA GLN A 76 4.719 18.589 2.908 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.370 19.886 2.613 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.877 18.693 3.797 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.701 20.702 4.948 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.777 19.357 5.273 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.639 21.464 2.364 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.316 21.989 2.546 1.00 0.00 H new ATOM 1049 N LEU A 77 3.114 15.868 2.735 1.00 0.00 N ATOM 1050 CA LEU A 77 2.961 14.528 3.274 1.00 0.00 C ATOM 1051 C LEU A 77 4.229 14.141 4.036 1.00 0.00 C ATOM 1052 O LEU A 77 4.175 13.845 5.229 1.00 0.00 O ATOM 1053 CB LEU A 77 2.586 13.543 2.165 1.00 0.00 C ATOM 1054 CG LEU A 77 2.286 12.111 2.611 1.00 0.00 C ATOM 1055 CD1 LEU A 77 1.340 11.418 1.628 1.00 0.00 C ATOM 1056 CD2 LEU A 77 3.578 11.319 2.820 1.00 0.00 C ATOM 0 H LEU A 77 2.815 15.975 1.766 1.00 0.00 H new ATOM 0 HA LEU A 77 2.138 14.497 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.711 13.930 1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.401 13.514 1.442 1.00 0.00 H new ATOM 0 HG LEU A 77 1.776 12.153 3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.143 10.401 1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.402 11.971 1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.800 11.387 0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.336 10.305 3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.138 11.283 1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.182 11.804 3.587 1.00 0.00 H new ATOM 1067 N GLY A 78 5.342 14.156 3.317 1.00 0.00 N ATOM 1068 CA GLY A 78 6.623 13.812 3.912 1.00 0.00 C ATOM 1069 C GLY A 78 7.555 13.181 2.875 1.00 0.00 C ATOM 1070 O GLY A 78 8.371 12.323 3.209 1.00 0.00 O ATOM 0 H GLY A 78 5.383 14.401 2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.087 14.706 4.328 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.470 13.119 4.739 1.00 0.00 H new ATOM 1074 N ARG A 79 7.406 13.633 1.639 1.00 0.00 N ATOM 1075 CA ARG A 79 8.224 13.124 0.551 1.00 0.00 C ATOM 1076 C ARG A 79 8.253 11.594 0.579 1.00 0.00 C ATOM 1077 O ARG A 79 9.324 10.990 0.553 1.00 0.00 O ATOM 1078 CB ARG A 79 9.655 13.656 0.645 1.00 0.00 C ATOM 1079 CG ARG A 79 9.733 15.109 0.170 1.00 0.00 C ATOM 1080 CD ARG A 79 9.408 16.076 1.311 1.00 0.00 C ATOM 1081 NE ARG A 79 9.846 17.444 0.954 1.00 0.00 N ATOM 1082 CZ ARG A 79 11.138 17.820 0.845 1.00 0.00 C ATOM 1083 NH1 ARG A 79 12.131 16.933 1.064 1.00 0.00 N ATOM 1084 NH2 ARG A 79 11.416 19.070 0.520 1.00 0.00 N ATOM 0 H ARG A 79 6.730 14.347 1.366 1.00 0.00 H new ATOM 0 HA ARG A 79 7.781 13.465 -0.385 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.005 13.587 1.675 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.318 13.036 0.041 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.732 15.317 -0.215 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.036 15.264 -0.653 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.337 16.069 1.511 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.905 15.753 2.226 1.00 0.00 H new ATOM 0 HE ARG A 79 9.127 18.146 0.780 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.908 15.970 1.314 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.104 17.226 0.979 1.00 0.00 H new ATOM 0 HH21 ARG A 79 10.660 19.734 0.356 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.387 19.371 0.433 1.00 0.00 H new ATOM 1094 N ASN A 80 7.064 11.013 0.633 1.00 0.00 N ATOM 1095 CA ASN A 80 6.939 9.566 0.665 1.00 0.00 C ATOM 1096 C ASN A 80 6.161 9.098 -0.567 1.00 0.00 C ATOM 1097 O ASN A 80 5.007 9.478 -0.756 1.00 0.00 O ATOM 1098 CB ASN A 80 6.177 9.106 1.909 1.00 0.00 C ATOM 1099 CG ASN A 80 6.771 9.725 3.176 1.00 0.00 C ATOM 1100 OD1 ASN A 80 5.875 9.968 4.130 1.00 0.00 O flip ATOM 1101 ND2 ASN A 80 7.962 9.967 3.281 1.00 0.00 N flip ATOM 0 H ASN A 80 6.178 11.518 0.655 1.00 0.00 H new ATOM 0 HA ASN A 80 7.943 9.141 0.680 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.127 9.386 1.821 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.212 8.019 1.980 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.595 9.755 2.510 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.325 10.381 4.140 1.00 0.00 H new ATOM 1107 N VAL A 81 6.824 8.280 -1.370 1.00 0.00 N ATOM 1108 CA VAL A 81 6.208 7.756 -2.578 1.00 0.00 C ATOM 1109 C VAL A 81 6.175 6.228 -2.507 1.00 0.00 C ATOM 1110 O VAL A 81 7.218 5.577 -2.567 1.00 0.00 O ATOM 1111 CB VAL A 81 6.946 8.282 -3.811 1.00 0.00 C ATOM 1112 CG1 VAL A 81 6.835 9.804 -3.908 1.00 0.00 C ATOM 1113 CG2 VAL A 81 8.409 7.837 -3.806 1.00 0.00 C ATOM 0 H VAL A 81 7.781 7.967 -1.209 1.00 0.00 H new ATOM 0 HA VAL A 81 5.177 8.099 -2.661 1.00 0.00 H new ATOM 0 HB VAL A 81 6.470 7.855 -4.694 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.368 10.152 -4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.785 10.088 -3.981 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.273 10.258 -3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.910 8.224 -4.693 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.903 8.221 -2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.458 6.748 -3.808 1.00 0.00 H new ATOM 1123 N LEU A 82 4.967 5.699 -2.380 1.00 0.00 N ATOM 1124 CA LEU A 82 4.785 4.260 -2.301 1.00 0.00 C ATOM 1125 C LEU A 82 3.809 3.813 -3.392 1.00 0.00 C ATOM 1126 O LEU A 82 2.662 4.254 -3.422 1.00 0.00 O ATOM 1127 CB LEU A 82 4.357 3.851 -0.890 1.00 0.00 C ATOM 1128 CG LEU A 82 5.257 4.333 0.249 1.00 0.00 C ATOM 1129 CD1 LEU A 82 4.780 3.786 1.595 1.00 0.00 C ATOM 1130 CD2 LEU A 82 6.722 3.985 -0.024 1.00 0.00 C ATOM 0 H LEU A 82 4.105 6.241 -2.330 1.00 0.00 H new ATOM 0 HA LEU A 82 5.728 3.746 -2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.349 4.227 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.303 2.763 -0.849 1.00 0.00 H new ATOM 0 HG LEU A 82 5.188 5.420 0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.438 4.144 2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.763 4.127 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.799 2.696 1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.340 4.339 0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.828 2.904 -0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.043 4.464 -0.949 1.00 0.00 H new ATOM 1141 N LEU A 83 4.303 2.943 -4.262 1.00 0.00 N ATOM 1142 CA LEU A 83 3.490 2.431 -5.352 1.00 0.00 C ATOM 1143 C LEU A 83 3.291 0.925 -5.170 1.00 0.00 C ATOM 1144 O LEU A 83 4.243 0.153 -5.266 1.00 0.00 O ATOM 1145 CB LEU A 83 4.103 2.812 -6.701 1.00 0.00 C ATOM 1146 CG LEU A 83 3.492 2.135 -7.930 1.00 0.00 C ATOM 1147 CD1 LEU A 83 3.887 0.658 -7.994 1.00 0.00 C ATOM 1148 CD2 LEU A 83 1.974 2.324 -7.963 1.00 0.00 C ATOM 0 H LEU A 83 5.256 2.580 -4.234 1.00 0.00 H new ATOM 0 HA LEU A 83 2.500 2.888 -5.337 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.017 3.892 -6.825 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.167 2.578 -6.673 1.00 0.00 H new ATOM 0 HG LEU A 83 3.895 2.616 -8.821 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.440 0.200 -8.876 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.972 0.574 -8.052 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.530 0.147 -7.100 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.565 1.833 -8.846 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.533 1.886 -7.068 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.741 3.388 -7.999 1.00 0.00 H new ATOM 1159 N LYS A 84 2.046 0.553 -4.910 1.00 0.00 N ATOM 1160 CA LYS A 84 1.709 -0.847 -4.715 1.00 0.00 C ATOM 1161 C LYS A 84 0.592 -1.239 -5.683 1.00 0.00 C ATOM 1162 O LYS A 84 -0.496 -0.667 -5.645 1.00 0.00 O ATOM 1163 CB LYS A 84 1.374 -1.117 -3.246 1.00 0.00 C ATOM 1164 CG LYS A 84 2.063 -2.391 -2.752 1.00 0.00 C ATOM 1165 CD LYS A 84 1.035 -3.427 -2.293 1.00 0.00 C ATOM 1166 CE LYS A 84 1.300 -3.861 -0.850 1.00 0.00 C ATOM 1167 NZ LYS A 84 1.213 -2.701 0.064 1.00 0.00 N ATOM 0 H LYS A 84 1.259 1.197 -4.830 1.00 0.00 H new ATOM 0 HA LYS A 84 2.566 -1.481 -4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.688 -0.270 -2.636 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.295 -1.213 -3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.676 -2.810 -3.550 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.734 -2.150 -1.928 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.032 -3.009 -2.372 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.071 -4.296 -2.950 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.576 -4.620 -0.554 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.288 -4.316 -0.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.984 -2.749 0.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.295 -1.821 -0.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.298 -2.717 0.559 1.00 0.00 H new ATOM 1176 N ASN A 85 0.899 -2.212 -6.529 1.00 0.00 N ATOM 1177 CA ASN A 85 -0.066 -2.687 -7.506 1.00 0.00 C ATOM 1178 C ASN A 85 -0.428 -4.140 -7.193 1.00 0.00 C ATOM 1179 O ASN A 85 0.439 -5.013 -7.189 1.00 0.00 O ATOM 1180 CB ASN A 85 0.513 -2.637 -8.921 1.00 0.00 C ATOM 1181 CG ASN A 85 0.958 -1.219 -9.282 1.00 0.00 C ATOM 1182 OD1 ASN A 85 0.338 -0.234 -8.916 1.00 0.00 O ATOM 1183 ND2 ASN A 85 2.063 -1.170 -10.020 1.00 0.00 N ATOM 0 H ASN A 85 1.803 -2.684 -6.558 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.944 -2.044 -7.454 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.361 -3.318 -8.995 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -0.235 -2.980 -9.636 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.440 -0.269 -10.314 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.533 -2.033 -10.292 1.00 0.00 H new ATOM 1189 N GLY A 86 -1.711 -4.356 -6.940 1.00 0.00 N ATOM 1190 CA GLY A 86 -2.198 -5.688 -6.628 1.00 0.00 C ATOM 1191 C GLY A 86 -3.154 -6.191 -7.712 1.00 0.00 C ATOM 1192 O GLY A 86 -4.189 -5.576 -7.964 1.00 0.00 O ATOM 0 H GLY A 86 -2.428 -3.630 -6.945 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.356 -6.374 -6.534 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.709 -5.676 -5.665 1.00 0.00 H new ATOM 1196 N GLU A 87 -2.773 -7.302 -8.322 1.00 0.00 N ATOM 1197 CA GLU A 87 -3.583 -7.894 -9.373 1.00 0.00 C ATOM 1198 C GLU A 87 -3.973 -9.326 -9.001 1.00 0.00 C ATOM 1199 O GLU A 87 -3.107 -10.178 -8.807 1.00 0.00 O ATOM 1200 CB GLU A 87 -2.852 -7.857 -10.716 1.00 0.00 C ATOM 1201 CG GLU A 87 -2.079 -6.548 -10.884 1.00 0.00 C ATOM 1202 CD GLU A 87 -1.071 -6.648 -12.030 1.00 0.00 C ATOM 1203 OE1 GLU A 87 -1.443 -6.472 -13.200 1.00 0.00 O ATOM 1204 OE2 GLU A 87 0.138 -6.920 -11.672 1.00 0.00 O ATOM 0 H GLU A 87 -1.914 -7.809 -8.109 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.494 -7.305 -9.476 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.165 -8.700 -10.783 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.571 -7.966 -11.528 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.776 -5.733 -11.078 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.558 -6.308 -9.957 1.00 0.00 H new ATOM 1210 N ASP A 88 -5.276 -9.547 -8.911 1.00 0.00 N ATOM 1211 CA ASP A 88 -5.790 -10.861 -8.565 1.00 0.00 C ATOM 1212 C ASP A 88 -6.637 -11.394 -9.722 1.00 0.00 C ATOM 1213 O ASP A 88 -7.637 -10.783 -10.098 1.00 0.00 O ATOM 1214 CB ASP A 88 -6.680 -10.795 -7.321 1.00 0.00 C ATOM 1215 CG ASP A 88 -6.311 -11.779 -6.210 1.00 0.00 C ATOM 1216 OD1 ASP A 88 -5.298 -12.491 -6.296 1.00 0.00 O ATOM 1217 OD2 ASP A 88 -7.124 -11.800 -5.208 1.00 0.00 O ATOM 0 H ASP A 88 -5.991 -8.838 -9.072 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.940 -11.513 -8.367 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -6.640 -9.783 -6.918 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.712 -10.979 -7.621 1.00 0.00 H new ATOM 1222 N ARG A 89 -6.205 -12.527 -10.257 1.00 0.00 N ATOM 1223 CA ARG A 89 -6.911 -13.148 -11.365 1.00 0.00 C ATOM 1224 C ARG A 89 -7.440 -14.522 -10.952 1.00 0.00 C ATOM 1225 O ARG A 89 -6.664 -15.425 -10.642 1.00 0.00 O ATOM 1226 CB ARG A 89 -5.996 -13.307 -12.581 1.00 0.00 C ATOM 1227 CG ARG A 89 -6.279 -12.225 -13.624 1.00 0.00 C ATOM 1228 CD ARG A 89 -7.412 -12.648 -14.561 1.00 0.00 C ATOM 1229 NE ARG A 89 -6.941 -13.711 -15.476 1.00 0.00 N ATOM 1230 CZ ARG A 89 -7.644 -14.826 -15.768 1.00 0.00 C ATOM 1231 NH1 ARG A 89 -8.859 -15.033 -15.216 1.00 0.00 N ATOM 1232 NH2 ARG A 89 -7.127 -15.710 -16.600 1.00 0.00 N ATOM 0 H ARG A 89 -5.375 -13.031 -9.944 1.00 0.00 H new ATOM 0 HA ARG A 89 -7.744 -12.499 -11.634 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.954 -13.250 -12.266 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -6.142 -14.292 -13.024 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -6.545 -11.294 -13.124 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -5.377 -12.029 -14.204 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -8.261 -13.007 -13.979 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -7.759 -11.789 -15.136 1.00 0.00 H new ATOM 0 HE ARG A 89 -6.027 -13.594 -15.914 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -9.251 -14.345 -14.574 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -9.384 -15.878 -15.441 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -6.209 -15.546 -17.012 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -7.646 -16.557 -16.831 1.00 0.00 H new ATOM 1242 N LEU A 90 -8.760 -14.640 -10.960 1.00 0.00 N ATOM 1243 CA LEU A 90 -9.403 -15.890 -10.590 1.00 0.00 C ATOM 1244 C LEU A 90 -10.738 -16.010 -11.330 1.00 0.00 C ATOM 1245 O LEU A 90 -11.288 -15.011 -11.792 1.00 0.00 O ATOM 1246 CB LEU A 90 -9.532 -15.996 -9.069 1.00 0.00 C ATOM 1247 CG LEU A 90 -8.219 -16.031 -8.286 1.00 0.00 C ATOM 1248 CD1 LEU A 90 -8.462 -15.780 -6.797 1.00 0.00 C ATOM 1249 CD2 LEU A 90 -7.470 -17.342 -8.530 1.00 0.00 C ATOM 0 H LEU A 90 -9.402 -13.890 -11.217 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.791 -16.739 -10.895 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.121 -15.150 -8.714 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.096 -16.898 -8.834 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.583 -15.224 -8.650 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.512 -15.810 -6.263 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.922 -14.801 -6.663 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.125 -16.550 -6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.540 -17.341 -7.962 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.090 -18.180 -8.210 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.246 -17.441 -9.592 1.00 0.00 H new ATOM 1260 N ARG A 91 -11.218 -17.241 -11.420 1.00 0.00 N ATOM 1261 CA ARG A 91 -12.477 -17.505 -12.096 1.00 0.00 C ATOM 1262 C ARG A 91 -13.615 -16.742 -11.415 1.00 0.00 C ATOM 1263 O ARG A 91 -14.570 -16.329 -12.071 1.00 0.00 O ATOM 1264 CB ARG A 91 -12.801 -19.000 -12.093 1.00 0.00 C ATOM 1265 CG ARG A 91 -12.061 -19.724 -13.220 1.00 0.00 C ATOM 1266 CD ARG A 91 -13.044 -20.276 -14.254 1.00 0.00 C ATOM 1267 NE ARG A 91 -13.710 -19.162 -14.966 1.00 0.00 N ATOM 1268 CZ ARG A 91 -14.926 -19.252 -15.543 1.00 0.00 C ATOM 1269 NH1 ARG A 91 -15.622 -20.408 -15.499 1.00 0.00 N ATOM 1270 NH2 ARG A 91 -15.426 -18.193 -16.153 1.00 0.00 N ATOM 0 H ARG A 91 -10.758 -18.067 -11.036 1.00 0.00 H new ATOM 0 HA ARG A 91 -12.376 -17.169 -13.128 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -12.523 -19.434 -11.133 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -13.875 -19.143 -12.208 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.366 -19.037 -13.704 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.467 -20.539 -12.806 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.517 -20.910 -14.967 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -13.789 -20.901 -13.762 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.218 -18.270 -15.024 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -15.229 -21.222 -15.027 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -16.541 -20.467 -15.938 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.894 -17.323 -16.183 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -16.344 -18.245 -16.594 1.00 0.00 H new ATOM 1280 N PHE A 92 -13.477 -16.578 -10.108 1.00 0.00 N ATOM 1281 CA PHE A 92 -14.482 -15.873 -9.331 1.00 0.00 C ATOM 1282 C PHE A 92 -14.713 -14.465 -9.883 1.00 0.00 C ATOM 1283 O PHE A 92 -15.831 -13.953 -9.840 1.00 0.00 O ATOM 1284 CB PHE A 92 -13.948 -15.766 -7.901 1.00 0.00 C ATOM 1285 CG PHE A 92 -15.025 -15.902 -6.823 1.00 0.00 C ATOM 1286 CD1 PHE A 92 -15.678 -17.084 -6.660 1.00 0.00 C ATOM 1287 CD2 PHE A 92 -15.328 -14.842 -6.027 1.00 0.00 C ATOM 1288 CE1 PHE A 92 -16.678 -17.210 -5.660 1.00 0.00 C ATOM 1289 CE2 PHE A 92 -16.328 -14.969 -5.027 1.00 0.00 C ATOM 1290 CZ PHE A 92 -16.982 -16.150 -4.864 1.00 0.00 C ATOM 0 H PHE A 92 -12.684 -16.922 -9.567 1.00 0.00 H new ATOM 0 HA PHE A 92 -15.429 -16.411 -9.372 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -13.194 -16.538 -7.747 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -13.448 -14.805 -7.782 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -15.436 -17.926 -7.291 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -14.808 -13.904 -6.155 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -17.198 -18.148 -5.531 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -16.569 -14.127 -4.395 1.00 0.00 H new ATOM 0 HZ PHE A 92 -17.742 -16.246 -4.103 1.00 0.00 H new ATOM 1299 N TYR A 93 -13.638 -13.879 -10.390 1.00 0.00 N ATOM 1300 CA TYR A 93 -13.710 -12.540 -10.951 1.00 0.00 C ATOM 1301 C TYR A 93 -13.660 -12.583 -12.480 1.00 0.00 C ATOM 1302 O TYR A 93 -12.760 -13.191 -13.058 1.00 0.00 O ATOM 1303 CB TYR A 93 -12.475 -11.799 -10.432 1.00 0.00 C ATOM 1304 CG TYR A 93 -12.631 -11.252 -9.011 1.00 0.00 C ATOM 1305 CD1 TYR A 93 -13.815 -10.657 -8.626 1.00 0.00 C ATOM 1306 CD2 TYR A 93 -11.586 -11.353 -8.116 1.00 0.00 C ATOM 1307 CE1 TYR A 93 -13.961 -10.142 -7.290 1.00 0.00 C ATOM 1308 CE2 TYR A 93 -11.731 -10.838 -6.779 1.00 0.00 C ATOM 1309 CZ TYR A 93 -12.912 -10.258 -6.432 1.00 0.00 C ATOM 1310 OH TYR A 93 -13.049 -9.771 -5.170 1.00 0.00 O ATOM 0 H TYR A 93 -12.713 -14.307 -10.424 1.00 0.00 H new ATOM 0 HA TYR A 93 -14.642 -12.052 -10.664 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -11.620 -12.475 -10.459 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.249 -10.973 -11.106 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -14.632 -10.578 -9.327 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -10.659 -11.818 -8.418 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.882 -9.674 -6.976 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.921 -10.910 -6.068 1.00 0.00 H new ATOM 0 HH TYR A 93 -12.221 -9.924 -4.669 1.00 0.00 H new ATOM 1319 N VAL A 94 -14.636 -11.928 -13.090 1.00 0.00 N ATOM 1320 CA VAL A 94 -14.714 -11.883 -14.541 1.00 0.00 C ATOM 1321 C VAL A 94 -14.445 -10.454 -15.017 1.00 0.00 C ATOM 1322 O VAL A 94 -13.918 -10.249 -16.109 1.00 0.00 O ATOM 1323 CB VAL A 94 -16.066 -12.426 -15.009 1.00 0.00 C ATOM 1324 CG1 VAL A 94 -16.228 -13.898 -14.625 1.00 0.00 C ATOM 1325 CG2 VAL A 94 -17.217 -11.584 -14.453 1.00 0.00 C ATOM 0 H VAL A 94 -15.380 -11.424 -12.607 1.00 0.00 H new ATOM 0 HA VAL A 94 -13.951 -12.522 -14.986 1.00 0.00 H new ATOM 0 HB VAL A 94 -16.096 -12.358 -16.096 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -17.197 -14.259 -14.969 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -15.436 -14.485 -15.090 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -16.167 -14.000 -13.542 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -18.167 -11.991 -14.801 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -17.190 -11.605 -13.364 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -17.115 -10.555 -14.798 1.00 0.00 H new ATOM 1335 N LYS A 95 -14.821 -9.503 -14.174 1.00 0.00 N ATOM 1336 CA LYS A 95 -14.628 -8.099 -14.497 1.00 0.00 C ATOM 1337 C LYS A 95 -13.143 -7.752 -14.371 1.00 0.00 C ATOM 1338 O LYS A 95 -12.649 -6.862 -15.063 1.00 0.00 O ATOM 1339 CB LYS A 95 -15.539 -7.221 -13.635 1.00 0.00 C ATOM 1340 CG LYS A 95 -16.101 -6.053 -14.447 1.00 0.00 C ATOM 1341 CD LYS A 95 -17.570 -5.802 -14.103 1.00 0.00 C ATOM 1342 CE LYS A 95 -18.261 -4.991 -15.201 1.00 0.00 C ATOM 1343 NZ LYS A 95 -19.335 -4.151 -14.628 1.00 0.00 N ATOM 0 H LYS A 95 -15.258 -9.677 -13.269 1.00 0.00 H new ATOM 0 HA LYS A 95 -14.917 -7.902 -15.529 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -16.358 -7.820 -13.238 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.980 -6.839 -12.781 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -15.518 -5.154 -14.248 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -16.004 -6.266 -15.512 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -18.084 -6.754 -13.972 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -17.639 -5.269 -13.155 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -17.531 -4.361 -15.710 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -18.678 -5.664 -15.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -19.793 -3.608 -15.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -20.040 -4.758 -14.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -18.928 -3.496 -13.930 1.00 0.00 H new ATOM 1352 N PHE A 96 -12.472 -8.472 -13.485 1.00 0.00 N ATOM 1353 CA PHE A 96 -11.053 -8.252 -13.260 1.00 0.00 C ATOM 1354 C PHE A 96 -10.787 -6.817 -12.801 1.00 0.00 C ATOM 1355 O PHE A 96 -9.975 -6.111 -13.398 1.00 0.00 O ATOM 1356 CB PHE A 96 -10.347 -8.485 -14.598 1.00 0.00 C ATOM 1357 CG PHE A 96 -10.681 -9.828 -15.251 1.00 0.00 C ATOM 1358 CD1 PHE A 96 -10.559 -10.980 -14.540 1.00 0.00 C ATOM 1359 CD2 PHE A 96 -11.102 -9.869 -16.544 1.00 0.00 C ATOM 1360 CE1 PHE A 96 -10.869 -12.225 -15.147 1.00 0.00 C ATOM 1361 CE2 PHE A 96 -11.412 -11.114 -17.151 1.00 0.00 C ATOM 1362 CZ PHE A 96 -11.289 -12.267 -16.440 1.00 0.00 C ATOM 0 H PHE A 96 -12.885 -9.209 -12.914 1.00 0.00 H new ATOM 0 HA PHE A 96 -10.690 -8.927 -12.485 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -10.616 -7.682 -15.284 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -9.270 -8.425 -14.444 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -10.226 -10.948 -13.513 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -11.200 -8.954 -17.109 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -10.771 -13.140 -14.582 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -11.746 -11.146 -18.178 1.00 0.00 H new ATOM 0 HZ PHE A 96 -11.525 -13.215 -16.902 1.00 0.00 H new ATOM 1371 N GLY A 97 -11.488 -6.427 -11.746 1.00 0.00 N ATOM 1372 CA GLY A 97 -11.338 -5.089 -11.200 1.00 0.00 C ATOM 1373 C GLY A 97 -9.867 -4.666 -11.181 1.00 0.00 C ATOM 1374 O GLY A 97 -9.485 -3.704 -11.846 1.00 0.00 O ATOM 0 H GLY A 97 -12.162 -7.015 -11.255 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -11.916 -4.382 -11.796 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -11.742 -5.058 -10.188 1.00 0.00 H new ATOM 1378 N PRO A 98 -9.061 -5.426 -10.392 1.00 0.00 N ATOM 1379 CA PRO A 98 -7.642 -5.140 -10.277 1.00 0.00 C ATOM 1380 C PRO A 98 -6.890 -5.585 -11.532 1.00 0.00 C ATOM 1381 O PRO A 98 -7.242 -6.590 -12.149 1.00 0.00 O ATOM 1382 CB PRO A 98 -7.192 -5.874 -9.023 1.00 0.00 C ATOM 1383 CG PRO A 98 -8.263 -6.915 -8.744 1.00 0.00 C ATOM 1384 CD PRO A 98 -9.478 -6.573 -9.590 1.00 0.00 C ATOM 0 HA PRO A 98 -7.434 -4.073 -10.194 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -6.220 -6.344 -9.173 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -7.088 -5.186 -8.184 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -7.898 -7.913 -8.987 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -8.524 -6.920 -7.686 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -9.770 -7.412 -10.221 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -10.338 -6.329 -8.967 1.00 0.00 H new ATOM 1389 N GLY A 99 -5.866 -4.816 -11.874 1.00 0.00 N ATOM 1390 CA GLY A 99 -5.061 -5.119 -13.045 1.00 0.00 C ATOM 1391 C GLY A 99 -3.949 -4.084 -13.229 1.00 0.00 C ATOM 1392 O GLY A 99 -2.768 -4.431 -13.239 1.00 0.00 O ATOM 0 H GLY A 99 -5.576 -3.984 -11.360 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.625 -6.113 -12.943 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.695 -5.138 -13.931 1.00 0.00 H new ATOM 1396 N ALA A 100 -4.365 -2.834 -13.367 1.00 0.00 N ATOM 1397 CA ALA A 100 -3.417 -1.746 -13.550 1.00 0.00 C ATOM 1398 C ALA A 100 -3.621 -0.709 -12.444 1.00 0.00 C ATOM 1399 O ALA A 100 -4.665 -0.685 -11.794 1.00 0.00 O ATOM 1400 CB ALA A 100 -3.588 -1.149 -14.948 1.00 0.00 C ATOM 0 H ALA A 100 -5.344 -2.549 -13.356 1.00 0.00 H new ATOM 0 HA ALA A 100 -2.393 -2.112 -13.476 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -2.878 -0.334 -15.085 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -3.405 -1.919 -15.697 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.603 -0.768 -15.059 1.00 0.00 H new ATOM 1406 N VAL A 101 -2.607 0.125 -12.265 1.00 0.00 N ATOM 1407 CA VAL A 101 -2.661 1.161 -11.249 1.00 0.00 C ATOM 1408 C VAL A 101 -3.772 2.154 -11.598 1.00 0.00 C ATOM 1409 O VAL A 101 -4.443 2.677 -10.711 1.00 0.00 O ATOM 1410 CB VAL A 101 -1.290 1.825 -11.105 1.00 0.00 C ATOM 1411 CG1 VAL A 101 -0.165 0.798 -11.250 1.00 0.00 C ATOM 1412 CG2 VAL A 101 -1.124 2.965 -12.111 1.00 0.00 C ATOM 0 H VAL A 101 -1.743 0.104 -12.807 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.903 0.730 -10.277 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.228 2.251 -10.103 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.799 1.296 -11.144 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.267 0.036 -10.478 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.224 0.329 -12.232 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.141 3.420 -11.987 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.217 2.573 -13.124 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.895 3.716 -11.940 1.00 0.00 H new ATOM 1422 N ILE A 102 -3.930 2.383 -12.893 1.00 0.00 N ATOM 1423 CA ILE A 102 -4.948 3.304 -13.371 1.00 0.00 C ATOM 1424 C ILE A 102 -6.304 2.909 -12.782 1.00 0.00 C ATOM 1425 O ILE A 102 -7.129 3.770 -12.482 1.00 0.00 O ATOM 1426 CB ILE A 102 -4.938 3.368 -14.900 1.00 0.00 C ATOM 1427 CG1 ILE A 102 -4.815 4.814 -15.387 1.00 0.00 C ATOM 1428 CG2 ILE A 102 -6.164 2.666 -15.487 1.00 0.00 C ATOM 1429 CD1 ILE A 102 -4.401 4.863 -16.859 1.00 0.00 C ATOM 0 H ILE A 102 -3.371 1.947 -13.626 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.734 4.317 -13.031 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.059 2.832 -15.259 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -5.767 5.328 -15.256 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -4.080 5.344 -14.781 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.132 2.726 -16.575 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.165 1.620 -15.182 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -7.070 3.151 -15.123 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.321 5.902 -17.180 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -3.437 4.370 -16.982 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -5.150 4.353 -17.465 1.00 0.00 H new ATOM 1440 N LYS A 103 -6.492 1.605 -12.635 1.00 0.00 N ATOM 1441 CA LYS A 103 -7.734 1.085 -12.087 1.00 0.00 C ATOM 1442 C LYS A 103 -7.966 1.688 -10.701 1.00 0.00 C ATOM 1443 O LYS A 103 -9.095 2.023 -10.346 1.00 0.00 O ATOM 1444 CB LYS A 103 -7.725 -0.445 -12.099 1.00 0.00 C ATOM 1445 CG LYS A 103 -8.818 -0.991 -13.020 1.00 0.00 C ATOM 1446 CD LYS A 103 -8.727 -0.364 -14.412 1.00 0.00 C ATOM 1447 CE LYS A 103 -8.707 -1.440 -15.500 1.00 0.00 C ATOM 1448 NZ LYS A 103 -7.369 -1.518 -16.127 1.00 0.00 N ATOM 0 H LYS A 103 -5.805 0.894 -12.886 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.579 1.381 -12.709 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -6.751 -0.804 -12.431 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.875 -0.821 -11.087 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.724 -2.074 -13.099 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -9.798 -0.786 -12.588 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -9.575 0.302 -14.570 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.826 0.245 -14.482 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.970 -2.406 -15.069 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -9.457 -1.214 -16.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.373 -2.253 -16.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.132 -0.600 -16.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.660 -1.756 -15.404 1.00 0.00 H new ATOM 1457 N GLU A 104 -6.879 1.807 -9.952 1.00 0.00 N ATOM 1458 CA GLU A 104 -6.950 2.364 -8.612 1.00 0.00 C ATOM 1459 C GLU A 104 -7.384 3.831 -8.668 1.00 0.00 C ATOM 1460 O GLU A 104 -8.297 4.239 -7.952 1.00 0.00 O ATOM 1461 CB GLU A 104 -5.612 2.216 -7.885 1.00 0.00 C ATOM 1462 CG GLU A 104 -5.455 3.286 -6.803 1.00 0.00 C ATOM 1463 CD GLU A 104 -6.619 3.240 -5.812 1.00 0.00 C ATOM 1464 OE1 GLU A 104 -7.715 2.779 -6.163 1.00 0.00 O ATOM 1465 OE2 GLU A 104 -6.354 3.705 -4.638 1.00 0.00 O ATOM 0 H GLU A 104 -5.944 1.527 -10.248 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.697 1.806 -8.047 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.546 1.226 -7.434 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.794 2.295 -8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.515 3.136 -6.272 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.406 4.272 -7.266 1.00 0.00 H new ATOM 1471 N PHE A 105 -6.709 4.582 -9.525 1.00 0.00 N ATOM 1472 CA PHE A 105 -7.013 5.994 -9.685 1.00 0.00 C ATOM 1473 C PHE A 105 -8.524 6.222 -9.773 1.00 0.00 C ATOM 1474 O PHE A 105 -9.032 7.232 -9.287 1.00 0.00 O ATOM 1475 CB PHE A 105 -6.363 6.447 -10.993 1.00 0.00 C ATOM 1476 CG PHE A 105 -4.993 7.102 -10.814 1.00 0.00 C ATOM 1477 CD1 PHE A 105 -3.898 6.334 -10.564 1.00 0.00 C ATOM 1478 CD2 PHE A 105 -4.868 8.453 -10.902 1.00 0.00 C ATOM 1479 CE1 PHE A 105 -2.626 6.942 -10.397 1.00 0.00 C ATOM 1480 CE2 PHE A 105 -3.596 9.062 -10.735 1.00 0.00 C ATOM 1481 CZ PHE A 105 -2.502 8.294 -10.487 1.00 0.00 C ATOM 0 H PHE A 105 -5.952 4.239 -10.117 1.00 0.00 H new ATOM 0 HA PHE A 105 -6.637 6.555 -8.830 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -6.259 5.585 -11.652 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.028 7.151 -11.492 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -3.997 5.261 -10.493 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.737 9.064 -11.099 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -1.757 6.332 -10.199 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -3.498 10.135 -10.805 1.00 0.00 H new ATOM 0 HZ PHE A 105 -1.534 8.757 -10.361 1.00 0.00 H new ATOM 1490 N LYS A 106 -9.198 5.268 -10.396 1.00 0.00 N ATOM 1491 CA LYS A 106 -10.640 5.352 -10.555 1.00 0.00 C ATOM 1492 C LYS A 106 -11.253 5.964 -9.293 1.00 0.00 C ATOM 1493 O LYS A 106 -12.262 6.663 -9.364 1.00 0.00 O ATOM 1494 CB LYS A 106 -11.221 3.984 -10.919 1.00 0.00 C ATOM 1495 CG LYS A 106 -12.746 4.044 -11.015 1.00 0.00 C ATOM 1496 CD LYS A 106 -13.398 3.518 -9.734 1.00 0.00 C ATOM 1497 CE LYS A 106 -13.333 1.991 -9.673 1.00 0.00 C ATOM 1498 NZ LYS A 106 -12.969 1.542 -8.310 1.00 0.00 N ATOM 0 H LYS A 106 -8.773 4.432 -10.797 1.00 0.00 H new ATOM 0 HA LYS A 106 -10.893 6.011 -11.386 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -10.806 3.650 -11.870 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.929 3.250 -10.168 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.062 5.072 -11.193 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -13.084 3.455 -11.867 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.895 3.942 -8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -14.437 3.843 -9.691 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -14.297 1.568 -9.956 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -12.600 1.623 -10.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.929 0.503 -8.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.039 1.930 -8.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.683 1.877 -7.632 1.00 0.00 H new ATOM 1507 N ILE A 107 -10.616 5.677 -8.167 1.00 0.00 N ATOM 1508 CA ILE A 107 -11.086 6.190 -6.891 1.00 0.00 C ATOM 1509 C ILE A 107 -11.641 7.603 -7.087 1.00 0.00 C ATOM 1510 O ILE A 107 -12.666 7.956 -6.507 1.00 0.00 O ATOM 1511 CB ILE A 107 -9.978 6.107 -5.839 1.00 0.00 C ATOM 1512 CG1 ILE A 107 -10.565 6.012 -4.430 1.00 0.00 C ATOM 1513 CG2 ILE A 107 -9.001 7.276 -5.976 1.00 0.00 C ATOM 1514 CD1 ILE A 107 -11.212 7.335 -4.015 1.00 0.00 C ATOM 0 H ILE A 107 -9.779 5.096 -8.112 1.00 0.00 H new ATOM 0 HA ILE A 107 -11.902 5.575 -6.511 1.00 0.00 H new ATOM 0 HB ILE A 107 -9.411 5.193 -6.013 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -11.306 5.214 -4.394 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.779 5.749 -3.722 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -8.224 7.192 -5.216 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -8.545 7.255 -6.966 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.537 8.216 -5.844 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -11.621 7.240 -3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -10.463 8.126 -4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -12.013 7.582 -4.711 1.00 0.00 H new ATOM 1525 N THR A 108 -10.939 8.372 -7.905 1.00 0.00 N ATOM 1526 CA THR A 108 -11.348 9.738 -8.185 1.00 0.00 C ATOM 1527 C THR A 108 -11.123 10.070 -9.661 1.00 0.00 C ATOM 1528 O THR A 108 -12.010 10.609 -10.322 1.00 0.00 O ATOM 1529 CB THR A 108 -10.591 10.664 -7.230 1.00 0.00 C ATOM 1530 OG1 THR A 108 -11.091 11.962 -7.536 1.00 0.00 O ATOM 1531 CG2 THR A 108 -9.100 10.753 -7.561 1.00 0.00 C ATOM 0 H THR A 108 -10.089 8.075 -8.384 1.00 0.00 H new ATOM 0 HA THR A 108 -12.416 9.874 -8.013 1.00 0.00 H new ATOM 0 HB THR A 108 -10.716 10.310 -6.207 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.654 12.625 -6.961 1.00 0.00 H new ATOM 0 HG21 THR A 108 -8.610 11.422 -6.854 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.652 9.762 -7.493 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.974 11.139 -8.573 1.00 0.00 H new ATOM 1539 N ASP A 109 -9.931 9.737 -10.135 1.00 0.00 N ATOM 1540 CA ASP A 109 -9.578 9.994 -11.520 1.00 0.00 C ATOM 1541 C ASP A 109 -10.771 9.657 -12.417 1.00 0.00 C ATOM 1542 O ASP A 109 -10.745 9.923 -13.618 1.00 0.00 O ATOM 1543 CB ASP A 109 -8.398 9.125 -11.959 1.00 0.00 C ATOM 1544 CG ASP A 109 -7.570 9.691 -13.114 1.00 0.00 C ATOM 1545 OD1 ASP A 109 -7.566 9.143 -14.225 1.00 0.00 O ATOM 1546 OD2 ASP A 109 -6.900 10.757 -12.832 1.00 0.00 O ATOM 0 H ASP A 109 -9.198 9.291 -9.584 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.304 11.045 -11.608 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -7.741 8.972 -11.103 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -8.777 8.145 -12.250 1.00 0.00 H new TER 1551 ASP A 109