USER MOD reduce.3.24.130724 H: found=0, std=0, add=1111, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1106 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 16 THR OG1 : rot -75:sc= 1.2 USER MOD Set 1.2: A 31 HIS : no HD1:sc= -0.0268 X(o=2.1,f=2.1) USER MOD Set 1.3: A 128 THR OG1 : rot 180:sc= 0.948 USER MOD Set 2.1: A 8 SER OG : rot 25:sc= 0.161 USER MOD Set 2.2: A 12 GLN : amide:sc= 0 X(o=0.16,f=0.095) USER MOD Single : A 1 GLY N :NH3+ 175:sc= 0 (180deg=-0.0416) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -57:sc= 0.665 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.634 K(o=-0.63,f=-1.3) USER MOD Single : A 19 HIS : +bothHN:sc= -5.97! C(o=-6!,f=-12!) USER MOD Single : A 20 SER OG : rot 162:sc= -0.246 USER MOD Single : A 21 SER OG : rot 180:sc= -0.0689 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -2.38! C(o=-2.4!,f=-3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 180:sc= -2.15! USER MOD Single : A 35 ASN : amide:sc= -1.66 X(o=-1.7,f=-1.4) USER MOD Single : A 40 SER OG : rot -122:sc= 0.429 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 15:sc= -0.0508 USER MOD Single : A 50 MET CE :methyl -125:sc= -2.79 (180deg=-4.44!) USER MOD Single : A 51 TYR OH : rot 130:sc= -0.544 USER MOD Single : A 56 LYS NZ :NH3+ -158:sc= -0.0649 (180deg=-0.403) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 147:sc= 0.24 USER MOD Single : A 65 HIS :FLIP no HD1:sc= -0.107 F(o=-0.91,f=-0.11) USER MOD Single : A 67 SER OG : rot 86:sc= 0.0121 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.175 K(o=-0.17,f=-0.98) USER MOD Single : A 77 GLN : amide:sc= -1.34 K(o=-1.3,f=-2!) USER MOD Single : A 78 SER OG : rot 180:sc= -0.0948 USER MOD Single : A 82 SER OG : rot 48:sc= 0.45 USER MOD Single : A 84 SER OG : rot 180:sc= 0.0101 USER MOD Single : A 89 GLN :FLIP amide:sc= -1.34 F(o=-3,f=-1.3) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -1.15 K(o=-1.1,f=-5.5!) USER MOD Single : A 100 SER OG : rot 39:sc= -0.777 USER MOD Single : A 105 SER OG : rot 31:sc= 0.321 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 144:sc= -0.688 (180deg=-2.27!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 70:sc= 0.0359 USER MOD Single : A 125 LYS NZ :NH3+ 152:sc= -0.0566 (180deg=-0.613) USER MOD Single : A 129 GLN : amide:sc= -0.651 X(o=-0.65,f=-0.79) USER MOD Single : A 131 TYR OH : rot 150:sc= -0.402 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 140 SER OG : rot 9:sc= 0.767 USER MOD Single : A 141 SER OG : rot 180:sc= -0.0061 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.185 -1.993 9.133 1.00 0.00 N ATOM 2 CA GLY A 1 16.388 -1.171 8.241 1.00 0.00 C ATOM 3 C GLY A 1 16.989 -1.070 6.853 1.00 0.00 C ATOM 4 O GLY A 1 16.996 0.002 6.249 1.00 0.00 O ATOM 0 H1 GLY A 1 16.779 -1.962 10.090 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.188 -2.975 8.790 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.160 -1.632 9.159 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.383 -1.587 8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.289 -0.171 8.664 1.00 0.00 H new ATOM 8 N SER A 2 17.497 -2.189 6.347 1.00 0.00 N ATOM 9 CA SER A 2 18.108 -2.221 5.024 1.00 0.00 C ATOM 10 C SER A 2 17.075 -1.929 3.940 1.00 0.00 C ATOM 11 O SER A 2 15.878 -2.141 4.136 1.00 0.00 O ATOM 12 CB SER A 2 18.757 -3.584 4.771 1.00 0.00 C ATOM 13 OG SER A 2 19.670 -3.521 3.690 1.00 0.00 O ATOM 0 H SER A 2 17.497 -3.086 6.833 1.00 0.00 H new ATOM 0 HA SER A 2 18.876 -1.448 4.988 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.276 -3.916 5.670 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.985 -4.324 4.557 1.00 0.00 H new ATOM 0 HG SER A 2 20.072 -4.404 3.550 1.00 0.00 H new ATOM 19 N SER A 3 17.546 -1.442 2.797 1.00 0.00 N ATOM 20 CA SER A 3 16.663 -1.117 1.683 1.00 0.00 C ATOM 21 C SER A 3 15.706 0.010 2.059 1.00 0.00 C ATOM 22 O SER A 3 14.520 -0.033 1.735 1.00 0.00 O ATOM 23 CB SER A 3 15.871 -2.353 1.255 1.00 0.00 C ATOM 24 OG SER A 3 15.087 -2.084 0.106 1.00 0.00 O ATOM 0 H SER A 3 18.534 -1.264 2.618 1.00 0.00 H new ATOM 0 HA SER A 3 17.280 -0.783 0.849 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.557 -3.174 1.047 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.226 -2.676 2.072 1.00 0.00 H new ATOM 0 HG SER A 3 14.489 -1.329 0.287 1.00 0.00 H new ATOM 30 N GLY A 4 16.231 1.019 2.748 1.00 0.00 N ATOM 31 CA GLY A 4 15.411 2.144 3.158 1.00 0.00 C ATOM 32 C GLY A 4 15.887 3.456 2.566 1.00 0.00 C ATOM 33 O GLY A 4 17.089 3.687 2.439 1.00 0.00 O ATOM 0 H GLY A 4 17.210 1.077 3.029 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.379 1.966 2.856 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.417 2.216 4.246 1.00 0.00 H new ATOM 37 N SER A 5 14.942 4.317 2.202 1.00 0.00 N ATOM 38 CA SER A 5 15.272 5.610 1.615 1.00 0.00 C ATOM 39 C SER A 5 14.588 6.742 2.376 1.00 0.00 C ATOM 40 O SER A 5 13.415 7.038 2.149 1.00 0.00 O ATOM 41 CB SER A 5 14.857 5.646 0.143 1.00 0.00 C ATOM 42 OG SER A 5 15.385 6.789 -0.508 1.00 0.00 O ATOM 0 H SER A 5 13.942 4.142 2.303 1.00 0.00 H new ATOM 0 HA SER A 5 16.351 5.749 1.684 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.207 4.744 -0.359 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.770 5.651 0.068 1.00 0.00 H new ATOM 0 HG SER A 5 15.107 6.788 -1.448 1.00 0.00 H new ATOM 48 N SER A 6 15.331 7.372 3.280 1.00 0.00 N ATOM 49 CA SER A 6 14.797 8.469 4.078 1.00 0.00 C ATOM 50 C SER A 6 14.904 9.791 3.325 1.00 0.00 C ATOM 51 O SER A 6 15.794 10.598 3.587 1.00 0.00 O ATOM 52 CB SER A 6 15.541 8.567 5.411 1.00 0.00 C ATOM 53 OG SER A 6 14.974 7.700 6.378 1.00 0.00 O ATOM 0 H SER A 6 16.305 7.141 3.478 1.00 0.00 H new ATOM 0 HA SER A 6 13.744 8.265 4.272 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.591 8.315 5.264 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.507 9.594 5.775 1.00 0.00 H new ATOM 0 HG SER A 6 15.469 7.781 7.220 1.00 0.00 H new ATOM 59 N GLY A 7 13.987 10.005 2.385 1.00 0.00 N ATOM 60 CA GLY A 7 13.995 11.230 1.607 1.00 0.00 C ATOM 61 C GLY A 7 13.242 11.090 0.298 1.00 0.00 C ATOM 62 O GLY A 7 13.780 10.578 -0.683 1.00 0.00 O ATOM 0 H GLY A 7 13.240 9.352 2.149 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.550 12.033 2.195 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.025 11.519 1.401 1.00 0.00 H new ATOM 66 N SER A 8 11.994 11.546 0.284 1.00 0.00 N ATOM 67 CA SER A 8 11.164 11.464 -0.912 1.00 0.00 C ATOM 68 C SER A 8 10.594 12.833 -1.272 1.00 0.00 C ATOM 69 O SER A 8 9.716 13.366 -0.594 1.00 0.00 O ATOM 70 CB SER A 8 10.025 10.464 -0.701 1.00 0.00 C ATOM 71 OG SER A 8 9.071 10.965 0.219 1.00 0.00 O ATOM 0 H SER A 8 11.535 11.976 1.087 1.00 0.00 H new ATOM 0 HA SER A 8 11.790 11.122 -1.736 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.540 10.254 -1.654 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.429 9.520 -0.334 1.00 0.00 H new ATOM 0 HG SER A 8 9.109 11.944 0.229 1.00 0.00 H new ATOM 77 N PRO A 9 11.105 13.416 -2.367 1.00 0.00 N ATOM 78 CA PRO A 9 10.662 14.730 -2.843 1.00 0.00 C ATOM 79 C PRO A 9 9.244 14.696 -3.404 1.00 0.00 C ATOM 80 O PRO A 9 8.582 15.729 -3.509 1.00 0.00 O ATOM 81 CB PRO A 9 11.666 15.063 -3.949 1.00 0.00 C ATOM 82 CG PRO A 9 12.157 13.740 -4.427 1.00 0.00 C ATOM 83 CD PRO A 9 12.154 12.839 -3.223 1.00 0.00 C ATOM 0 HA PRO A 9 10.632 15.466 -2.039 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.195 15.625 -4.755 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.484 15.675 -3.570 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.512 13.345 -5.212 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.158 13.824 -4.849 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.929 11.807 -3.494 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.123 12.833 -2.723 1.00 0.00 H new ATOM 91 N LEU A 10 8.784 13.502 -3.762 1.00 0.00 N ATOM 92 CA LEU A 10 7.443 13.333 -4.312 1.00 0.00 C ATOM 93 C LEU A 10 6.434 13.038 -3.206 1.00 0.00 C ATOM 94 O LEU A 10 5.333 13.587 -3.194 1.00 0.00 O ATOM 95 CB LEU A 10 7.432 12.202 -5.342 1.00 0.00 C ATOM 96 CG LEU A 10 8.417 12.343 -6.503 1.00 0.00 C ATOM 97 CD1 LEU A 10 8.438 11.075 -7.342 1.00 0.00 C ATOM 98 CD2 LEU A 10 8.060 13.547 -7.362 1.00 0.00 C ATOM 0 H LEU A 10 9.319 12.637 -3.681 1.00 0.00 H new ATOM 0 HA LEU A 10 7.157 14.265 -4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.641 11.265 -4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.426 12.121 -5.753 1.00 0.00 H new ATOM 0 HG LEU A 10 9.414 12.498 -6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.145 11.194 -8.163 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.742 10.233 -6.721 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.442 10.888 -7.744 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.772 13.632 -8.183 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.055 13.422 -7.764 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.098 14.451 -6.755 1.00 0.00 H new ATOM 110 N GLY A 11 6.819 12.169 -2.276 1.00 0.00 N ATOM 111 CA GLY A 11 5.938 11.819 -1.178 1.00 0.00 C ATOM 112 C GLY A 11 6.049 10.358 -0.789 1.00 0.00 C ATOM 113 O GLY A 11 6.963 9.661 -1.229 1.00 0.00 O ATOM 0 H GLY A 11 7.725 11.701 -2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.174 12.441 -0.314 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.908 12.040 -1.458 1.00 0.00 H new ATOM 117 N GLN A 12 5.118 9.895 0.039 1.00 0.00 N ATOM 118 CA GLN A 12 5.118 8.508 0.489 1.00 0.00 C ATOM 119 C GLN A 12 3.694 8.006 0.703 1.00 0.00 C ATOM 120 O GLN A 12 2.751 8.795 0.776 1.00 0.00 O ATOM 121 CB GLN A 12 5.920 8.370 1.783 1.00 0.00 C ATOM 122 CG GLN A 12 7.356 8.855 1.664 1.00 0.00 C ATOM 123 CD GLN A 12 8.025 9.036 3.012 1.00 0.00 C ATOM 124 OE1 GLN A 12 8.168 8.083 3.779 1.00 0.00 O ATOM 125 NE2 GLN A 12 8.439 10.262 3.309 1.00 0.00 N ATOM 0 H GLN A 12 4.355 10.460 0.412 1.00 0.00 H new ATOM 0 HA GLN A 12 5.585 7.900 -0.286 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.420 8.932 2.572 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.923 7.324 2.089 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.928 8.141 1.072 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.372 9.802 1.125 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.300 11.022 2.644 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.896 10.443 4.203 1.00 0.00 H new ATOM 134 N ILE A 13 3.545 6.689 0.803 1.00 0.00 N ATOM 135 CA ILE A 13 2.236 6.082 1.010 1.00 0.00 C ATOM 136 C ILE A 13 2.357 4.747 1.736 1.00 0.00 C ATOM 137 O ILE A 13 3.211 3.925 1.405 1.00 0.00 O ATOM 138 CB ILE A 13 1.500 5.862 -0.325 1.00 0.00 C ATOM 139 CG1 ILE A 13 0.169 5.145 -0.087 1.00 0.00 C ATOM 140 CG2 ILE A 13 2.372 5.067 -1.286 1.00 0.00 C ATOM 141 CD1 ILE A 13 -0.741 5.143 -1.296 1.00 0.00 C ATOM 0 H ILE A 13 4.315 6.022 0.744 1.00 0.00 H new ATOM 0 HA ILE A 13 1.661 6.775 1.623 1.00 0.00 H new ATOM 0 HB ILE A 13 1.292 6.834 -0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.368 4.115 0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.348 5.622 0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.838 4.920 -2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.296 5.613 -1.476 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.607 4.098 -0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.665 4.618 -1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.971 6.170 -1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.244 4.640 -2.125 1.00 0.00 H new ATOM 153 N GLN A 14 1.496 4.539 2.727 1.00 0.00 N ATOM 154 CA GLN A 14 1.507 3.302 3.500 1.00 0.00 C ATOM 155 C GLN A 14 0.407 2.356 3.028 1.00 0.00 C ATOM 156 O GLN A 14 -0.773 2.707 3.036 1.00 0.00 O ATOM 157 CB GLN A 14 1.331 3.605 4.989 1.00 0.00 C ATOM 158 CG GLN A 14 1.720 2.448 5.895 1.00 0.00 C ATOM 159 CD GLN A 14 1.754 2.840 7.359 1.00 0.00 C ATOM 160 OE1 GLN A 14 2.680 2.481 8.088 1.00 0.00 O ATOM 161 NE2 GLN A 14 0.743 3.580 7.798 1.00 0.00 N ATOM 0 H GLN A 14 0.783 5.210 3.013 1.00 0.00 H new ATOM 0 HA GLN A 14 2.470 2.815 3.347 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.933 4.476 5.248 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.290 3.869 5.177 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.012 1.630 5.758 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.700 2.074 5.600 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.003 3.855 7.159 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.712 3.874 8.774 1.00 0.00 H new ATOM 170 N LEU A 15 0.802 1.156 2.618 1.00 0.00 N ATOM 171 CA LEU A 15 -0.150 0.158 2.143 1.00 0.00 C ATOM 172 C LEU A 15 0.155 -1.213 2.737 1.00 0.00 C ATOM 173 O LEU A 15 1.263 -1.732 2.593 1.00 0.00 O ATOM 174 CB LEU A 15 -0.119 0.083 0.615 1.00 0.00 C ATOM 175 CG LEU A 15 -0.314 1.406 -0.127 1.00 0.00 C ATOM 176 CD1 LEU A 15 -0.133 1.210 -1.624 1.00 0.00 C ATOM 177 CD2 LEU A 15 -1.687 1.989 0.175 1.00 0.00 C ATOM 0 H LEU A 15 1.775 0.850 2.605 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.146 0.459 2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.837 -0.343 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.894 -0.611 0.290 1.00 0.00 H new ATOM 0 HG LEU A 15 0.442 2.110 0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.275 2.162 -2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.872 0.838 -1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.866 0.490 -1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.809 2.930 -0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.458 1.288 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.779 2.167 1.246 1.00 0.00 H new ATOM 189 N THR A 16 -0.835 -1.797 3.404 1.00 0.00 N ATOM 190 CA THR A 16 -0.674 -3.108 4.020 1.00 0.00 C ATOM 191 C THR A 16 -1.035 -4.222 3.044 1.00 0.00 C ATOM 192 O THR A 16 -2.209 -4.548 2.868 1.00 0.00 O ATOM 193 CB THR A 16 -1.543 -3.246 5.284 1.00 0.00 C ATOM 194 OG1 THR A 16 -1.298 -2.148 6.170 1.00 0.00 O ATOM 195 CG2 THR A 16 -1.253 -4.557 6.000 1.00 0.00 C ATOM 0 H THR A 16 -1.758 -1.382 3.532 1.00 0.00 H new ATOM 0 HA THR A 16 0.376 -3.199 4.299 1.00 0.00 H new ATOM 0 HB THR A 16 -2.590 -3.240 4.980 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.433 -2.272 6.613 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.879 -4.632 6.889 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.469 -5.391 5.333 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.203 -4.588 6.291 1.00 0.00 H new ATOM 203 N ILE A 17 -0.020 -4.801 2.413 1.00 0.00 N ATOM 204 CA ILE A 17 -0.232 -5.880 1.456 1.00 0.00 C ATOM 205 C ILE A 17 -0.043 -7.243 2.113 1.00 0.00 C ATOM 206 O ILE A 17 1.071 -7.619 2.477 1.00 0.00 O ATOM 207 CB ILE A 17 0.727 -5.765 0.256 1.00 0.00 C ATOM 208 CG1 ILE A 17 0.814 -4.312 -0.217 1.00 0.00 C ATOM 209 CG2 ILE A 17 0.268 -6.670 -0.878 1.00 0.00 C ATOM 210 CD1 ILE A 17 1.955 -4.057 -1.177 1.00 0.00 C ATOM 0 H ILE A 17 0.957 -4.541 2.547 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.259 -5.789 1.101 1.00 0.00 H new ATOM 0 HB ILE A 17 1.720 -6.086 0.571 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.124 -4.039 -0.700 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.927 -3.662 0.651 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.956 -6.577 -1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.252 -7.704 -0.534 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.733 -6.377 -1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.956 -3.007 -1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.900 -4.299 -0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.832 -4.681 -2.062 1.00 0.00 H new ATOM 222 N ARG A 18 -1.139 -7.980 2.260 1.00 0.00 N ATOM 223 CA ARG A 18 -1.095 -9.302 2.873 1.00 0.00 C ATOM 224 C ARG A 18 -2.061 -10.256 2.177 1.00 0.00 C ATOM 225 O ARG A 18 -3.279 -10.111 2.284 1.00 0.00 O ATOM 226 CB ARG A 18 -1.436 -9.209 4.362 1.00 0.00 C ATOM 227 CG ARG A 18 -1.461 -10.556 5.066 1.00 0.00 C ATOM 228 CD ARG A 18 -2.438 -10.557 6.231 1.00 0.00 C ATOM 229 NE ARG A 18 -2.764 -11.911 6.670 1.00 0.00 N ATOM 230 CZ ARG A 18 -3.259 -12.196 7.870 1.00 0.00 C ATOM 231 NH1 ARG A 18 -3.484 -11.225 8.745 1.00 0.00 N ATOM 232 NH2 ARG A 18 -3.531 -13.453 8.195 1.00 0.00 N ATOM 0 H ARG A 18 -2.069 -7.684 1.963 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.083 -9.693 2.763 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.707 -8.565 4.854 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.410 -8.732 4.474 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.740 -11.334 4.355 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.461 -10.798 5.428 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.010 -9.999 7.064 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.352 -10.041 5.938 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.603 -12.680 6.020 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.277 -10.257 8.497 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.864 -11.446 9.665 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.360 -14.202 7.524 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.911 -13.671 9.116 1.00 0.00 H new ATOM 246 N HIS A 19 -1.509 -11.233 1.465 1.00 0.00 N ATOM 247 CA HIS A 19 -2.321 -12.212 0.751 1.00 0.00 C ATOM 248 C HIS A 19 -2.459 -13.498 1.561 1.00 0.00 C ATOM 249 O HIS A 19 -1.467 -14.157 1.871 1.00 0.00 O ATOM 250 CB HIS A 19 -1.705 -12.520 -0.614 1.00 0.00 C ATOM 251 CG HIS A 19 -2.293 -13.726 -1.279 1.00 0.00 C ATOM 252 ND1 HIS A 19 -2.097 -15.010 -0.817 1.00 0.00 N ATOM 253 CD2 HIS A 19 -3.078 -13.838 -2.376 1.00 0.00 C ATOM 254 CE1 HIS A 19 -2.734 -15.860 -1.602 1.00 0.00 C ATOM 255 NE2 HIS A 19 -3.338 -15.174 -2.556 1.00 0.00 N ATOM 0 H HIS A 19 -0.503 -11.368 1.367 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.314 -11.786 0.605 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.836 -11.656 -1.266 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -0.632 -12.669 -0.494 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -1.546 -15.264 0.003 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.434 -13.027 -2.995 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -2.757 -16.933 -1.484 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -3.905 -15.572 -3.304 1.00 0.00 H new ATOM 263 N SER A 20 -3.696 -13.847 1.902 1.00 0.00 N ATOM 264 CA SER A 20 -3.963 -15.051 2.680 1.00 0.00 C ATOM 265 C SER A 20 -3.819 -16.300 1.815 1.00 0.00 C ATOM 266 O SER A 20 -4.139 -16.286 0.627 1.00 0.00 O ATOM 267 CB SER A 20 -5.368 -14.993 3.282 1.00 0.00 C ATOM 268 OG SER A 20 -5.821 -16.286 3.644 1.00 0.00 O ATOM 0 H SER A 20 -4.528 -13.313 1.652 1.00 0.00 H new ATOM 0 HA SER A 20 -3.232 -15.103 3.486 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.365 -14.346 4.160 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.057 -14.551 2.563 1.00 0.00 H new ATOM 0 HG SER A 20 -6.568 -16.207 4.273 1.00 0.00 H new ATOM 274 N SER A 21 -3.334 -17.379 2.421 1.00 0.00 N ATOM 275 CA SER A 21 -3.144 -18.636 1.707 1.00 0.00 C ATOM 276 C SER A 21 -4.465 -19.385 1.564 1.00 0.00 C ATOM 277 O SER A 21 -4.876 -19.733 0.457 1.00 0.00 O ATOM 278 CB SER A 21 -2.124 -19.512 2.438 1.00 0.00 C ATOM 279 OG SER A 21 -2.483 -19.686 3.797 1.00 0.00 O ATOM 0 H SER A 21 -3.066 -17.408 3.405 1.00 0.00 H new ATOM 0 HA SER A 21 -2.768 -18.406 0.710 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.058 -20.484 1.949 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.136 -19.055 2.375 1.00 0.00 H new ATOM 0 HG SER A 21 -1.817 -20.251 4.242 1.00 0.00 H new ATOM 285 N GLN A 22 -5.125 -19.629 2.692 1.00 0.00 N ATOM 286 CA GLN A 22 -6.399 -20.338 2.692 1.00 0.00 C ATOM 287 C GLN A 22 -7.443 -19.581 1.878 1.00 0.00 C ATOM 288 O GLN A 22 -8.215 -20.180 1.130 1.00 0.00 O ATOM 289 CB GLN A 22 -6.897 -20.535 4.125 1.00 0.00 C ATOM 290 CG GLN A 22 -6.222 -21.688 4.850 1.00 0.00 C ATOM 291 CD GLN A 22 -6.942 -22.076 6.127 1.00 0.00 C ATOM 292 OE1 GLN A 22 -7.197 -21.234 6.989 1.00 0.00 O ATOM 293 NE2 GLN A 22 -7.275 -23.355 6.255 1.00 0.00 N ATOM 0 H GLN A 22 -4.799 -19.346 3.616 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.243 -21.314 2.232 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.732 -19.616 4.688 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.973 -20.708 4.106 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.175 -22.552 4.187 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.194 -21.412 5.086 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.044 -24.019 5.516 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.762 -23.674 7.093 1.00 0.00 H new ATOM 302 N ARG A 23 -7.461 -18.261 2.030 1.00 0.00 N ATOM 303 CA ARG A 23 -8.412 -17.422 1.310 1.00 0.00 C ATOM 304 C ARG A 23 -7.897 -17.092 -0.088 1.00 0.00 C ATOM 305 O ARG A 23 -8.665 -16.710 -0.969 1.00 0.00 O ATOM 306 CB ARG A 23 -8.674 -16.130 2.086 1.00 0.00 C ATOM 307 CG ARG A 23 -9.710 -16.281 3.189 1.00 0.00 C ATOM 308 CD ARG A 23 -10.359 -14.949 3.530 1.00 0.00 C ATOM 309 NE ARG A 23 -10.792 -14.892 4.923 1.00 0.00 N ATOM 310 CZ ARG A 23 -11.805 -15.602 5.407 1.00 0.00 C ATOM 311 NH1 ARG A 23 -12.485 -16.419 4.615 1.00 0.00 N ATOM 312 NH2 ARG A 23 -12.140 -15.496 6.687 1.00 0.00 N ATOM 0 H ARG A 23 -6.828 -17.749 2.645 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.346 -17.976 1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.738 -15.783 2.523 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.006 -15.359 1.390 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.476 -16.990 2.876 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.237 -16.695 4.080 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.653 -14.142 3.337 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.216 -14.786 2.877 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.289 -14.273 5.559 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.231 -16.504 3.631 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.262 -16.963 4.990 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.619 -14.869 7.300 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.918 -16.042 7.057 1.00 0.00 H new ATOM 326 N ASN A 24 -6.590 -17.243 -0.282 1.00 0.00 N ATOM 327 CA ASN A 24 -5.972 -16.960 -1.572 1.00 0.00 C ATOM 328 C ASN A 24 -6.487 -15.643 -2.145 1.00 0.00 C ATOM 329 O ASN A 24 -6.882 -15.572 -3.309 1.00 0.00 O ATOM 330 CB ASN A 24 -6.249 -18.100 -2.555 1.00 0.00 C ATOM 331 CG ASN A 24 -5.856 -19.454 -1.996 1.00 0.00 C ATOM 332 OD1 ASN A 24 -6.638 -20.102 -1.301 1.00 0.00 O ATOM 333 ND2 ASN A 24 -4.637 -19.887 -2.297 1.00 0.00 N ATOM 0 H ASN A 24 -5.940 -17.559 0.437 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.896 -16.874 -1.420 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.309 -18.108 -2.808 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.702 -17.919 -3.480 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.316 -20.790 -1.948 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.022 -19.316 -2.877 1.00 0.00 H new ATOM 340 N LYS A 25 -6.479 -14.602 -1.320 1.00 0.00 N ATOM 341 CA LYS A 25 -6.942 -13.286 -1.743 1.00 0.00 C ATOM 342 C LYS A 25 -5.906 -12.214 -1.421 1.00 0.00 C ATOM 343 O LYS A 25 -5.181 -12.315 -0.430 1.00 0.00 O ATOM 344 CB LYS A 25 -8.271 -12.947 -1.063 1.00 0.00 C ATOM 345 CG LYS A 25 -9.446 -13.753 -1.588 1.00 0.00 C ATOM 346 CD LYS A 25 -10.743 -12.967 -1.505 1.00 0.00 C ATOM 347 CE LYS A 25 -11.942 -13.886 -1.331 1.00 0.00 C ATOM 348 NZ LYS A 25 -13.214 -13.220 -1.727 1.00 0.00 N ATOM 0 H LYS A 25 -6.156 -14.644 -0.353 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.089 -13.311 -2.823 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.175 -13.117 0.009 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.479 -11.886 -1.200 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.259 -14.039 -2.623 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.541 -14.675 -1.015 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.694 -12.269 -0.669 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.868 -12.372 -2.410 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.801 -14.785 -1.931 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.007 -14.204 -0.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.007 -13.879 -1.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.362 -12.376 -1.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.162 -12.939 -2.727 1.00 0.00 H new ATOM 362 N LEU A 26 -5.842 -11.188 -2.261 1.00 0.00 N ATOM 363 CA LEU A 26 -4.895 -10.095 -2.065 1.00 0.00 C ATOM 364 C LEU A 26 -5.599 -8.856 -1.520 1.00 0.00 C ATOM 365 O LEU A 26 -6.370 -8.207 -2.227 1.00 0.00 O ATOM 366 CB LEU A 26 -4.193 -9.760 -3.381 1.00 0.00 C ATOM 367 CG LEU A 26 -3.173 -8.622 -3.327 1.00 0.00 C ATOM 368 CD1 LEU A 26 -1.839 -9.125 -2.800 1.00 0.00 C ATOM 369 CD2 LEU A 26 -3.002 -7.993 -4.702 1.00 0.00 C ATOM 0 H LEU A 26 -6.435 -11.089 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.151 -10.417 -1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.688 -10.657 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.953 -9.506 -4.120 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.546 -7.859 -2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.126 -8.301 -2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.973 -9.527 -1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.460 -9.908 -3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.273 -7.185 -4.644 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.653 -8.748 -5.406 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.958 -7.595 -5.041 1.00 0.00 H new ATOM 381 N ILE A 27 -5.326 -8.533 -0.261 1.00 0.00 N ATOM 382 CA ILE A 27 -5.930 -7.370 0.377 1.00 0.00 C ATOM 383 C ILE A 27 -4.941 -6.212 0.458 1.00 0.00 C ATOM 384 O ILE A 27 -3.760 -6.409 0.743 1.00 0.00 O ATOM 385 CB ILE A 27 -6.432 -7.702 1.795 1.00 0.00 C ATOM 386 CG1 ILE A 27 -7.420 -8.869 1.749 1.00 0.00 C ATOM 387 CG2 ILE A 27 -7.077 -6.479 2.428 1.00 0.00 C ATOM 388 CD1 ILE A 27 -6.753 -10.227 1.773 1.00 0.00 C ATOM 0 H ILE A 27 -4.690 -9.060 0.338 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.779 -7.077 -0.240 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.579 -7.996 2.407 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -8.100 -8.792 2.597 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.026 -8.786 0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.427 -6.729 3.430 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.346 -5.673 2.490 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.922 -6.157 1.819 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.514 -11.007 1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.094 -10.324 0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -6.170 -10.330 2.688 1.00 0.00 H new ATOM 400 N VAL A 28 -5.432 -5.003 0.207 1.00 0.00 N ATOM 401 CA VAL A 28 -4.593 -3.811 0.255 1.00 0.00 C ATOM 402 C VAL A 28 -5.296 -2.672 0.984 1.00 0.00 C ATOM 403 O VAL A 28 -6.299 -2.140 0.506 1.00 0.00 O ATOM 404 CB VAL A 28 -4.206 -3.340 -1.160 1.00 0.00 C ATOM 405 CG1 VAL A 28 -3.168 -2.231 -1.088 1.00 0.00 C ATOM 406 CG2 VAL A 28 -3.694 -4.508 -1.989 1.00 0.00 C ATOM 0 H VAL A 28 -6.407 -4.823 -0.032 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.689 -4.082 0.800 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.096 -2.941 -1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.907 -1.911 -2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.576 -1.386 -0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.276 -2.600 -0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.425 -4.157 -2.985 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.816 -4.939 -1.507 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.473 -5.266 -2.069 1.00 0.00 H new ATOM 416 N VAL A 29 -4.764 -2.301 2.143 1.00 0.00 N ATOM 417 CA VAL A 29 -5.339 -1.223 2.939 1.00 0.00 C ATOM 418 C VAL A 29 -4.559 0.074 2.753 1.00 0.00 C ATOM 419 O VAL A 29 -3.333 0.094 2.863 1.00 0.00 O ATOM 420 CB VAL A 29 -5.367 -1.583 4.436 1.00 0.00 C ATOM 421 CG1 VAL A 29 -6.208 -0.580 5.211 1.00 0.00 C ATOM 422 CG2 VAL A 29 -5.891 -2.997 4.634 1.00 0.00 C ATOM 0 H VAL A 29 -3.935 -2.731 2.553 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.361 -1.082 2.589 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.348 -1.541 4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.216 -0.851 6.267 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.783 0.417 5.095 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.228 -0.587 4.827 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.904 -3.235 5.698 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.902 -3.070 4.234 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.243 -3.702 4.113 1.00 0.00 H new ATOM 432 N VAL A 30 -5.278 1.156 2.472 1.00 0.00 N ATOM 433 CA VAL A 30 -4.654 2.458 2.273 1.00 0.00 C ATOM 434 C VAL A 30 -4.995 3.412 3.413 1.00 0.00 C ATOM 435 O VAL A 30 -6.051 4.044 3.412 1.00 0.00 O ATOM 436 CB VAL A 30 -5.091 3.093 0.940 1.00 0.00 C ATOM 437 CG1 VAL A 30 -4.311 4.371 0.675 1.00 0.00 C ATOM 438 CG2 VAL A 30 -4.916 2.104 -0.203 1.00 0.00 C ATOM 0 H VAL A 30 -6.294 1.156 2.377 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.577 2.292 2.252 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.148 3.350 1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.634 4.805 -0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.493 5.082 1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.246 4.144 0.625 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.230 2.569 -1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.868 1.814 -0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.525 1.220 -0.015 1.00 0.00 H new ATOM 448 N HIS A 31 -4.093 3.510 4.385 1.00 0.00 N ATOM 449 CA HIS A 31 -4.298 4.388 5.532 1.00 0.00 C ATOM 450 C HIS A 31 -4.411 5.843 5.089 1.00 0.00 C ATOM 451 O HIS A 31 -5.494 6.426 5.108 1.00 0.00 O ATOM 452 CB HIS A 31 -3.150 4.234 6.530 1.00 0.00 C ATOM 453 CG HIS A 31 -2.948 2.825 6.998 1.00 0.00 C ATOM 454 ND1 HIS A 31 -3.819 2.183 7.853 1.00 0.00 N ATOM 455 CD2 HIS A 31 -1.968 1.933 6.723 1.00 0.00 C ATOM 456 CE1 HIS A 31 -3.382 0.959 8.085 1.00 0.00 C ATOM 457 NE2 HIS A 31 -2.260 0.782 7.411 1.00 0.00 N ATOM 0 H HIS A 31 -3.214 2.993 4.401 1.00 0.00 H new ATOM 0 HA HIS A 31 -5.231 4.101 6.016 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -2.229 4.591 6.069 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -3.342 4.871 7.393 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.115 2.097 6.081 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -3.861 0.227 8.718 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -1.701 -0.071 7.403 1.00 0.00 H new ATOM 465 N ALA A 32 -3.284 6.425 4.691 1.00 0.00 N ATOM 466 CA ALA A 32 -3.256 7.811 4.242 1.00 0.00 C ATOM 467 C ALA A 32 -1.902 8.166 3.637 1.00 0.00 C ATOM 468 O ALA A 32 -0.885 7.555 3.967 1.00 0.00 O ATOM 469 CB ALA A 32 -3.582 8.746 5.397 1.00 0.00 C ATOM 0 H ALA A 32 -2.378 5.957 4.671 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.013 7.931 3.467 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.558 9.778 5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.576 8.517 5.782 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.847 8.614 6.191 1.00 0.00 H new ATOM 475 N CYS A 33 -1.897 9.155 2.750 1.00 0.00 N ATOM 476 CA CYS A 33 -0.667 9.590 2.098 1.00 0.00 C ATOM 477 C CYS A 33 -0.218 10.945 2.632 1.00 0.00 C ATOM 478 O CYS A 33 -1.036 11.751 3.076 1.00 0.00 O ATOM 479 CB CYS A 33 -0.868 9.666 0.584 1.00 0.00 C ATOM 480 SG CYS A 33 -1.524 8.150 -0.151 1.00 0.00 S ATOM 0 H CYS A 33 -2.730 9.670 2.466 1.00 0.00 H new ATOM 0 HA CYS A 33 0.110 8.858 2.318 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.546 10.489 0.359 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.086 9.902 0.113 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.661 8.314 -1.433 1.00 0.00 H new ATOM 486 N ARG A 34 1.088 11.190 2.589 1.00 0.00 N ATOM 487 CA ARG A 34 1.647 12.447 3.072 1.00 0.00 C ATOM 488 C ARG A 34 2.786 12.916 2.173 1.00 0.00 C ATOM 489 O ARG A 34 3.318 12.146 1.374 1.00 0.00 O ATOM 490 CB ARG A 34 2.148 12.288 4.509 1.00 0.00 C ATOM 491 CG ARG A 34 3.527 11.655 4.606 1.00 0.00 C ATOM 492 CD ARG A 34 3.924 11.405 6.052 1.00 0.00 C ATOM 493 NE ARG A 34 5.251 10.805 6.160 1.00 0.00 N ATOM 494 CZ ARG A 34 5.869 10.589 7.315 1.00 0.00 C ATOM 495 NH1 ARG A 34 5.282 10.921 8.457 1.00 0.00 N ATOM 496 NH2 ARG A 34 7.076 10.038 7.331 1.00 0.00 N ATOM 0 H ARG A 34 1.779 10.534 2.224 1.00 0.00 H new ATOM 0 HA ARG A 34 0.858 13.199 3.051 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.172 13.267 4.987 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.437 11.679 5.067 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.536 10.713 4.057 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.262 12.307 4.133 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.906 12.347 6.601 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.191 10.749 6.521 1.00 0.00 H new ATOM 0 HE ARG A 34 5.730 10.537 5.300 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.354 11.343 8.449 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.759 10.754 9.343 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.530 9.780 6.455 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.549 9.873 8.219 1.00 0.00 H new ATOM 510 N ASN A 35 3.156 14.186 2.309 1.00 0.00 N ATOM 511 CA ASN A 35 4.232 14.758 1.508 1.00 0.00 C ATOM 512 C ASN A 35 3.886 14.718 0.023 1.00 0.00 C ATOM 513 O ASN A 35 4.696 14.297 -0.804 1.00 0.00 O ATOM 514 CB ASN A 35 5.540 14.005 1.759 1.00 0.00 C ATOM 515 CG ASN A 35 5.958 14.042 3.216 1.00 0.00 C ATOM 516 OD1 ASN A 35 5.828 15.068 3.885 1.00 0.00 O ATOM 517 ND2 ASN A 35 6.465 12.921 3.716 1.00 0.00 N ATOM 0 H ASN A 35 2.727 14.838 2.966 1.00 0.00 H new ATOM 0 HA ASN A 35 4.358 15.799 1.806 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.426 12.968 1.443 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.330 14.440 1.146 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.765 12.887 4.690 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.555 12.094 3.126 1.00 0.00 H new ATOM 524 N LEU A 36 2.677 15.157 -0.309 1.00 0.00 N ATOM 525 CA LEU A 36 2.222 15.172 -1.695 1.00 0.00 C ATOM 526 C LEU A 36 2.201 16.594 -2.246 1.00 0.00 C ATOM 527 O LEU A 36 1.261 17.351 -2.000 1.00 0.00 O ATOM 528 CB LEU A 36 0.829 14.550 -1.802 1.00 0.00 C ATOM 529 CG LEU A 36 0.732 13.059 -1.476 1.00 0.00 C ATOM 530 CD1 LEU A 36 -0.721 12.613 -1.447 1.00 0.00 C ATOM 531 CD2 LEU A 36 1.524 12.241 -2.485 1.00 0.00 C ATOM 0 H LEU A 36 1.994 15.507 0.363 1.00 0.00 H new ATOM 0 HA LEU A 36 2.922 14.583 -2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.159 15.092 -1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.461 14.704 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 36 1.161 12.893 -0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.771 11.549 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.260 13.177 -0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.176 12.792 -2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.444 11.182 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.125 12.411 -3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.571 12.542 -2.456 1.00 0.00 H new ATOM 543 N ILE A 37 3.240 16.950 -2.993 1.00 0.00 N ATOM 544 CA ILE A 37 3.338 18.280 -3.582 1.00 0.00 C ATOM 545 C ILE A 37 2.184 18.542 -4.543 1.00 0.00 C ATOM 546 O ILE A 37 1.840 17.690 -5.362 1.00 0.00 O ATOM 547 CB ILE A 37 4.670 18.466 -4.332 1.00 0.00 C ATOM 548 CG1 ILE A 37 4.743 17.518 -5.530 1.00 0.00 C ATOM 549 CG2 ILE A 37 5.844 18.233 -3.393 1.00 0.00 C ATOM 550 CD1 ILE A 37 4.178 18.107 -6.803 1.00 0.00 C ATOM 0 H ILE A 37 4.026 16.336 -3.205 1.00 0.00 H new ATOM 0 HA ILE A 37 3.291 18.994 -2.760 1.00 0.00 H new ATOM 0 HB ILE A 37 4.722 19.491 -4.700 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.783 17.239 -5.699 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.202 16.602 -5.292 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.778 18.368 -3.938 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.798 18.945 -2.569 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.798 17.218 -2.998 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.263 17.379 -7.610 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.129 18.360 -6.652 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.734 19.007 -7.066 1.00 0.00 H new ATOM 562 N ALA A 38 1.592 19.727 -4.439 1.00 0.00 N ATOM 563 CA ALA A 38 0.480 20.103 -5.303 1.00 0.00 C ATOM 564 C ALA A 38 0.967 20.889 -6.515 1.00 0.00 C ATOM 565 O ALA A 38 1.715 21.857 -6.380 1.00 0.00 O ATOM 566 CB ALA A 38 -0.543 20.915 -4.522 1.00 0.00 C ATOM 0 H ALA A 38 1.864 20.443 -3.765 1.00 0.00 H new ATOM 0 HA ALA A 38 0.006 19.189 -5.662 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.368 21.189 -5.179 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.923 20.320 -3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.072 21.818 -4.135 1.00 0.00 H new ATOM 572 N PHE A 39 0.539 20.465 -7.700 1.00 0.00 N ATOM 573 CA PHE A 39 0.933 21.129 -8.937 1.00 0.00 C ATOM 574 C PHE A 39 0.806 22.644 -8.807 1.00 0.00 C ATOM 575 O PHE A 39 1.484 23.397 -9.506 1.00 0.00 O ATOM 576 CB PHE A 39 0.076 20.632 -10.103 1.00 0.00 C ATOM 577 CG PHE A 39 0.785 20.668 -11.427 1.00 0.00 C ATOM 578 CD1 PHE A 39 1.518 19.577 -11.864 1.00 0.00 C ATOM 579 CD2 PHE A 39 0.717 21.792 -12.233 1.00 0.00 C ATOM 580 CE1 PHE A 39 2.172 19.606 -13.082 1.00 0.00 C ATOM 581 CE2 PHE A 39 1.368 21.827 -13.452 1.00 0.00 C ATOM 582 CZ PHE A 39 2.097 20.733 -13.876 1.00 0.00 C ATOM 0 H PHE A 39 -0.080 19.665 -7.829 1.00 0.00 H new ATOM 0 HA PHE A 39 1.977 20.886 -9.133 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.243 19.610 -9.899 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.826 21.241 -10.166 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.579 18.693 -11.246 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.149 22.650 -11.906 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.740 18.749 -13.412 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.307 22.709 -14.072 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.608 20.759 -14.827 1.00 0.00 H new ATOM 592 N SER A 40 -0.068 23.083 -7.907 1.00 0.00 N ATOM 593 CA SER A 40 -0.289 24.507 -7.687 1.00 0.00 C ATOM 594 C SER A 40 -0.752 24.771 -6.258 1.00 0.00 C ATOM 595 O SER A 40 -1.713 24.166 -5.784 1.00 0.00 O ATOM 596 CB SER A 40 -1.324 25.043 -8.678 1.00 0.00 C ATOM 597 OG SER A 40 -1.288 26.459 -8.737 1.00 0.00 O ATOM 0 H SER A 40 -0.635 22.473 -7.318 1.00 0.00 H new ATOM 0 HA SER A 40 0.657 25.025 -7.845 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.132 24.630 -9.668 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.320 24.713 -8.382 1.00 0.00 H new ATOM 0 HG SER A 40 -2.171 26.818 -8.509 1.00 0.00 H new ATOM 603 N GLU A 41 -0.060 25.679 -5.576 1.00 0.00 N ATOM 604 CA GLU A 41 -0.400 26.022 -4.200 1.00 0.00 C ATOM 605 C GLU A 41 -1.913 26.078 -4.011 1.00 0.00 C ATOM 606 O GLU A 41 -2.441 25.607 -3.004 1.00 0.00 O ATOM 607 CB GLU A 41 0.223 27.367 -3.818 1.00 0.00 C ATOM 608 CG GLU A 41 1.735 27.319 -3.679 1.00 0.00 C ATOM 609 CD GLU A 41 2.343 28.690 -3.450 1.00 0.00 C ATOM 610 OE1 GLU A 41 2.451 29.460 -4.427 1.00 0.00 O ATOM 611 OE2 GLU A 41 2.711 28.991 -2.296 1.00 0.00 O ATOM 0 H GLU A 41 0.738 26.190 -5.954 1.00 0.00 H new ATOM 0 HA GLU A 41 0.001 25.245 -3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.041 28.108 -4.573 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.210 27.704 -2.876 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.999 26.665 -2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.165 26.880 -4.579 1.00 0.00 H new ATOM 618 N ASP A 42 -2.604 26.657 -4.986 1.00 0.00 N ATOM 619 CA ASP A 42 -4.056 26.775 -4.928 1.00 0.00 C ATOM 620 C ASP A 42 -4.679 25.522 -4.321 1.00 0.00 C ATOM 621 O ASP A 42 -5.547 25.605 -3.453 1.00 0.00 O ATOM 622 CB ASP A 42 -4.626 27.016 -6.327 1.00 0.00 C ATOM 623 CG ASP A 42 -4.083 28.281 -6.963 1.00 0.00 C ATOM 624 OD1 ASP A 42 -4.131 29.342 -6.307 1.00 0.00 O ATOM 625 OD2 ASP A 42 -3.611 28.209 -8.117 1.00 0.00 O ATOM 0 H ASP A 42 -2.182 27.052 -5.826 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.301 27.626 -4.292 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.391 26.163 -6.964 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.712 27.080 -6.268 1.00 0.00 H new ATOM 630 N GLY A 43 -4.230 24.359 -4.785 1.00 0.00 N ATOM 631 CA GLY A 43 -4.755 23.105 -4.277 1.00 0.00 C ATOM 632 C GLY A 43 -5.069 22.117 -5.384 1.00 0.00 C ATOM 633 O GLY A 43 -5.570 22.498 -6.441 1.00 0.00 O ATOM 0 H GLY A 43 -3.512 24.263 -5.503 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.031 22.662 -3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.660 23.300 -3.701 1.00 0.00 H new ATOM 637 N SER A 44 -4.771 20.845 -5.140 1.00 0.00 N ATOM 638 CA SER A 44 -5.019 19.800 -6.127 1.00 0.00 C ATOM 639 C SER A 44 -5.887 18.692 -5.538 1.00 0.00 C ATOM 640 O SER A 44 -6.211 18.707 -4.351 1.00 0.00 O ATOM 641 CB SER A 44 -3.696 19.216 -6.626 1.00 0.00 C ATOM 642 OG SER A 44 -3.093 20.067 -7.586 1.00 0.00 O ATOM 0 H SER A 44 -4.358 20.513 -4.268 1.00 0.00 H new ATOM 0 HA SER A 44 -5.551 20.247 -6.967 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.018 19.073 -5.785 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.871 18.234 -7.065 1.00 0.00 H new ATOM 0 HG SER A 44 -2.248 19.673 -7.888 1.00 0.00 H new ATOM 648 N ASP A 45 -6.260 17.732 -6.378 1.00 0.00 N ATOM 649 CA ASP A 45 -7.089 16.615 -5.942 1.00 0.00 C ATOM 650 C ASP A 45 -6.330 15.297 -6.058 1.00 0.00 C ATOM 651 O ASP A 45 -6.415 14.589 -7.062 1.00 0.00 O ATOM 652 CB ASP A 45 -8.374 16.553 -6.770 1.00 0.00 C ATOM 653 CG ASP A 45 -9.023 17.913 -6.935 1.00 0.00 C ATOM 654 OD1 ASP A 45 -8.761 18.801 -6.097 1.00 0.00 O ATOM 655 OD2 ASP A 45 -9.792 18.089 -7.903 1.00 0.00 O ATOM 0 H ASP A 45 -6.001 17.705 -7.364 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.348 16.773 -4.895 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.150 16.139 -7.753 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.079 15.873 -6.291 1.00 0.00 H new ATOM 660 N PRO A 46 -5.569 14.958 -5.007 1.00 0.00 N ATOM 661 CA PRO A 46 -4.779 13.723 -4.967 1.00 0.00 C ATOM 662 C PRO A 46 -5.654 12.479 -4.859 1.00 0.00 C ATOM 663 O PRO A 46 -6.651 12.470 -4.136 1.00 0.00 O ATOM 664 CB PRO A 46 -3.926 13.888 -3.707 1.00 0.00 C ATOM 665 CG PRO A 46 -4.705 14.818 -2.841 1.00 0.00 C ATOM 666 CD PRO A 46 -5.420 15.753 -3.777 1.00 0.00 C ATOM 0 HA PRO A 46 -4.196 13.582 -5.877 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.761 12.931 -3.212 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.944 14.297 -3.944 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.414 14.271 -2.219 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.047 15.367 -2.167 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.387 16.060 -3.377 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.845 16.662 -3.953 1.00 0.00 H new ATOM 674 N TYR A 47 -5.275 11.431 -5.582 1.00 0.00 N ATOM 675 CA TYR A 47 -6.027 10.181 -5.569 1.00 0.00 C ATOM 676 C TYR A 47 -5.104 8.988 -5.798 1.00 0.00 C ATOM 677 O TYR A 47 -4.253 9.009 -6.687 1.00 0.00 O ATOM 678 CB TYR A 47 -7.120 10.208 -6.638 1.00 0.00 C ATOM 679 CG TYR A 47 -6.652 9.732 -7.995 1.00 0.00 C ATOM 680 CD1 TYR A 47 -5.974 10.585 -8.857 1.00 0.00 C ATOM 681 CD2 TYR A 47 -6.886 8.428 -8.414 1.00 0.00 C ATOM 682 CE1 TYR A 47 -5.545 10.154 -10.097 1.00 0.00 C ATOM 683 CE2 TYR A 47 -6.460 7.988 -9.652 1.00 0.00 C ATOM 684 CZ TYR A 47 -5.790 8.855 -10.490 1.00 0.00 C ATOM 685 OH TYR A 47 -5.363 8.421 -11.725 1.00 0.00 O ATOM 0 H TYR A 47 -4.452 11.422 -6.184 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.491 10.075 -4.588 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.952 9.585 -6.311 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.501 11.225 -6.731 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.779 11.603 -8.552 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.410 7.747 -7.760 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.020 10.831 -10.755 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.650 6.971 -9.962 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.713 9.058 -12.089 1.00 0.00 H new ATOM 695 N VAL A 48 -5.281 7.948 -4.990 1.00 0.00 N ATOM 696 CA VAL A 48 -4.467 6.744 -5.104 1.00 0.00 C ATOM 697 C VAL A 48 -5.029 5.798 -6.160 1.00 0.00 C ATOM 698 O VAL A 48 -6.244 5.685 -6.322 1.00 0.00 O ATOM 699 CB VAL A 48 -4.376 5.998 -3.759 1.00 0.00 C ATOM 700 CG1 VAL A 48 -3.518 4.750 -3.898 1.00 0.00 C ATOM 701 CG2 VAL A 48 -3.825 6.916 -2.678 1.00 0.00 C ATOM 0 H VAL A 48 -5.981 7.915 -4.249 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.469 7.064 -5.402 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.379 5.689 -3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.465 4.236 -2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.959 4.086 -4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.514 5.032 -4.214 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.767 6.373 -1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.829 7.256 -2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.483 7.777 -2.562 1.00 0.00 H new ATOM 711 N ARG A 49 -4.137 5.121 -6.875 1.00 0.00 N ATOM 712 CA ARG A 49 -4.544 4.185 -7.916 1.00 0.00 C ATOM 713 C ARG A 49 -3.932 2.808 -7.679 1.00 0.00 C ATOM 714 O ARG A 49 -2.806 2.694 -7.196 1.00 0.00 O ATOM 715 CB ARG A 49 -4.131 4.709 -9.293 1.00 0.00 C ATOM 716 CG ARG A 49 -4.886 4.064 -10.442 1.00 0.00 C ATOM 717 CD ARG A 49 -4.953 4.983 -11.652 1.00 0.00 C ATOM 718 NE ARG A 49 -5.007 4.236 -12.905 1.00 0.00 N ATOM 719 CZ ARG A 49 -4.937 4.804 -14.104 1.00 0.00 C ATOM 720 NH1 ARG A 49 -4.809 6.120 -14.210 1.00 0.00 N ATOM 721 NH2 ARG A 49 -4.994 4.057 -15.198 1.00 0.00 N ATOM 0 H ARG A 49 -3.128 5.203 -6.753 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.629 4.092 -7.881 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.290 5.787 -9.325 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.063 4.540 -9.431 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.398 3.130 -10.720 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.896 3.812 -10.119 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.832 5.622 -11.573 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.082 5.638 -11.658 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.104 3.222 -12.857 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.764 6.697 -13.370 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.755 6.555 -15.131 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.092 3.045 -15.120 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.940 4.495 -16.118 1.00 0.00 H new ATOM 735 N MET A 50 -4.681 1.766 -8.022 1.00 0.00 N ATOM 736 CA MET A 50 -4.211 0.396 -7.847 1.00 0.00 C ATOM 737 C MET A 50 -4.507 -0.443 -9.086 1.00 0.00 C ATOM 738 O MET A 50 -5.658 -0.566 -9.504 1.00 0.00 O ATOM 739 CB MET A 50 -4.868 -0.238 -6.619 1.00 0.00 C ATOM 740 CG MET A 50 -4.268 0.225 -5.301 1.00 0.00 C ATOM 741 SD MET A 50 -4.760 -0.812 -3.911 1.00 0.00 S ATOM 742 CE MET A 50 -6.400 -0.175 -3.577 1.00 0.00 C ATOM 0 H MET A 50 -5.616 1.843 -8.423 1.00 0.00 H new ATOM 0 HA MET A 50 -3.131 0.425 -7.699 1.00 0.00 H new ATOM 0 HB2 MET A 50 -5.933 -0.005 -6.626 1.00 0.00 H new ATOM 0 HB3 MET A 50 -4.779 -1.322 -6.688 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.181 0.226 -5.382 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.574 1.253 -5.108 1.00 0.00 H new ATOM 0 HE1 MET A 50 -6.466 0.131 -2.533 1.00 0.00 H new ATOM 0 HE2 MET A 50 -6.595 0.684 -4.219 1.00 0.00 H new ATOM 0 HE3 MET A 50 -7.139 -0.951 -3.775 1.00 0.00 H new ATOM 752 N TYR A 51 -3.461 -1.017 -9.669 1.00 0.00 N ATOM 753 CA TYR A 51 -3.608 -1.841 -10.863 1.00 0.00 C ATOM 754 C TYR A 51 -2.792 -3.125 -10.742 1.00 0.00 C ATOM 755 O TYR A 51 -1.577 -3.086 -10.547 1.00 0.00 O ATOM 756 CB TYR A 51 -3.173 -1.062 -12.104 1.00 0.00 C ATOM 757 CG TYR A 51 -4.305 -0.329 -12.788 1.00 0.00 C ATOM 758 CD1 TYR A 51 -5.083 0.590 -12.094 1.00 0.00 C ATOM 759 CD2 TYR A 51 -4.599 -0.558 -14.126 1.00 0.00 C ATOM 760 CE1 TYR A 51 -6.119 1.261 -12.714 1.00 0.00 C ATOM 761 CE2 TYR A 51 -5.632 0.109 -14.755 1.00 0.00 C ATOM 762 CZ TYR A 51 -6.389 1.018 -14.045 1.00 0.00 C ATOM 763 OH TYR A 51 -7.421 1.683 -14.667 1.00 0.00 O ATOM 0 H TYR A 51 -2.502 -0.927 -9.334 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.660 -2.108 -10.962 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.405 -0.343 -11.820 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.717 -1.752 -12.814 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.874 0.783 -11.052 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.010 -1.270 -14.684 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.714 1.972 -12.160 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.846 -0.080 -15.797 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.099 2.075 -15.506 1.00 0.00 H new ATOM 773 N LEU A 52 -3.469 -4.262 -10.860 1.00 0.00 N ATOM 774 CA LEU A 52 -2.809 -5.559 -10.766 1.00 0.00 C ATOM 775 C LEU A 52 -2.046 -5.876 -12.048 1.00 0.00 C ATOM 776 O LEU A 52 -2.606 -6.427 -12.996 1.00 0.00 O ATOM 777 CB LEU A 52 -3.836 -6.657 -10.485 1.00 0.00 C ATOM 778 CG LEU A 52 -3.273 -7.999 -10.017 1.00 0.00 C ATOM 779 CD1 LEU A 52 -2.661 -7.868 -8.631 1.00 0.00 C ATOM 780 CD2 LEU A 52 -4.359 -9.065 -10.023 1.00 0.00 C ATOM 0 H LEU A 52 -4.475 -4.312 -11.021 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.097 -5.517 -9.942 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.530 -6.293 -9.727 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.415 -6.826 -11.393 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.489 -8.303 -10.711 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.266 -8.833 -8.315 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.854 -7.136 -8.657 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.425 -7.540 -7.926 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.940 -10.013 -9.687 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.165 -8.767 -9.353 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.751 -9.179 -11.034 1.00 0.00 H new ATOM 792 N LEU A 53 -0.764 -5.527 -12.069 1.00 0.00 N ATOM 793 CA LEU A 53 0.078 -5.777 -13.234 1.00 0.00 C ATOM 794 C LEU A 53 0.372 -7.266 -13.384 1.00 0.00 C ATOM 795 O LEU A 53 0.353 -8.028 -12.417 1.00 0.00 O ATOM 796 CB LEU A 53 1.387 -4.995 -13.118 1.00 0.00 C ATOM 797 CG LEU A 53 1.284 -3.481 -13.305 1.00 0.00 C ATOM 798 CD1 LEU A 53 2.603 -2.809 -12.957 1.00 0.00 C ATOM 799 CD2 LEU A 53 0.873 -3.147 -14.732 1.00 0.00 C ATOM 0 H LEU A 53 -0.285 -5.070 -11.293 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.461 -5.442 -14.120 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.818 -5.191 -12.136 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.087 -5.385 -13.857 1.00 0.00 H new ATOM 0 HG LEU A 53 0.518 -3.102 -12.629 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.510 -1.732 -13.096 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.856 -3.020 -11.918 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.389 -3.193 -13.607 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.805 -2.065 -14.847 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.616 -3.540 -15.426 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.097 -3.597 -14.946 1.00 0.00 H new ATOM 811 N PRO A 54 0.654 -7.692 -14.624 1.00 0.00 N ATOM 812 CA PRO A 54 0.679 -6.794 -15.783 1.00 0.00 C ATOM 813 C PRO A 54 -0.712 -6.299 -16.163 1.00 0.00 C ATOM 814 O PRO A 54 -0.900 -5.122 -16.470 1.00 0.00 O ATOM 815 CB PRO A 54 1.259 -7.669 -16.897 1.00 0.00 C ATOM 816 CG PRO A 54 0.927 -9.064 -16.494 1.00 0.00 C ATOM 817 CD PRO A 54 0.969 -9.083 -14.991 1.00 0.00 C ATOM 0 HA PRO A 54 1.257 -5.891 -15.587 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.821 -7.421 -17.864 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.336 -7.529 -16.990 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.058 -9.352 -16.860 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.642 -9.772 -16.913 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.242 -9.782 -14.577 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.949 -9.385 -14.620 1.00 0.00 H new ATOM 825 N ASP A 55 -1.684 -7.204 -16.140 1.00 0.00 N ATOM 826 CA ASP A 55 -3.059 -6.859 -16.481 1.00 0.00 C ATOM 827 C ASP A 55 -3.386 -5.435 -16.043 1.00 0.00 C ATOM 828 O ASP A 55 -3.368 -5.120 -14.853 1.00 0.00 O ATOM 829 CB ASP A 55 -4.031 -7.843 -15.828 1.00 0.00 C ATOM 830 CG ASP A 55 -3.651 -9.288 -16.084 1.00 0.00 C ATOM 831 OD1 ASP A 55 -3.005 -9.558 -17.117 1.00 0.00 O ATOM 832 OD2 ASP A 55 -4.000 -10.150 -15.250 1.00 0.00 O ATOM 0 H ASP A 55 -1.545 -8.183 -15.889 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.165 -6.920 -17.564 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.059 -7.663 -14.753 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.037 -7.662 -16.208 1.00 0.00 H new ATOM 837 N LYS A 56 -3.684 -4.577 -17.013 1.00 0.00 N ATOM 838 CA LYS A 56 -4.016 -3.186 -16.729 1.00 0.00 C ATOM 839 C LYS A 56 -5.426 -2.854 -17.208 1.00 0.00 C ATOM 840 O LYS A 56 -5.796 -1.685 -17.314 1.00 0.00 O ATOM 841 CB LYS A 56 -3.005 -2.252 -17.399 1.00 0.00 C ATOM 842 CG LYS A 56 -1.695 -2.130 -16.642 1.00 0.00 C ATOM 843 CD LYS A 56 -0.966 -0.844 -16.993 1.00 0.00 C ATOM 844 CE LYS A 56 -0.105 -1.012 -18.235 1.00 0.00 C ATOM 845 NZ LYS A 56 1.038 -1.937 -17.997 1.00 0.00 N ATOM 0 H LYS A 56 -3.702 -4.821 -18.003 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.975 -3.042 -15.649 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.800 -2.615 -18.406 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.450 -1.262 -17.501 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.889 -2.158 -15.570 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.059 -2.985 -16.873 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.691 -0.047 -17.157 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.341 -0.539 -16.154 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.717 -1.394 -19.052 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.274 -0.039 -18.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.787 -1.750 -18.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.412 -1.787 -17.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.714 -2.921 -18.092 1.00 0.00 H new ATOM 859 N ARG A 57 -6.208 -3.890 -17.494 1.00 0.00 N ATOM 860 CA ARG A 57 -7.577 -3.708 -17.960 1.00 0.00 C ATOM 861 C ARG A 57 -8.213 -2.481 -17.314 1.00 0.00 C ATOM 862 O ARG A 57 -8.367 -2.419 -16.094 1.00 0.00 O ATOM 863 CB ARG A 57 -8.413 -4.951 -17.652 1.00 0.00 C ATOM 864 CG ARG A 57 -7.876 -6.221 -18.292 1.00 0.00 C ATOM 865 CD ARG A 57 -8.197 -6.275 -19.777 1.00 0.00 C ATOM 866 NE ARG A 57 -9.621 -6.492 -20.022 1.00 0.00 N ATOM 867 CZ ARG A 57 -10.120 -6.833 -21.204 1.00 0.00 C ATOM 868 NH1 ARG A 57 -9.314 -6.997 -22.245 1.00 0.00 N ATOM 869 NH2 ARG A 57 -11.426 -7.013 -21.348 1.00 0.00 N ATOM 0 H ARG A 57 -5.917 -4.864 -17.411 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.549 -3.556 -19.039 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.458 -5.090 -16.572 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.434 -4.785 -17.995 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.797 -6.273 -18.150 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.305 -7.090 -17.794 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.886 -5.343 -20.249 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.623 -7.076 -20.243 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.267 -6.375 -19.242 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.309 -6.861 -22.138 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.700 -7.259 -23.152 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.049 -6.889 -20.550 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.808 -7.275 -22.257 1.00 0.00 H new ATOM 883 N ARG A 58 -8.579 -1.506 -18.140 1.00 0.00 N ATOM 884 CA ARG A 58 -9.196 -0.280 -17.649 1.00 0.00 C ATOM 885 C ARG A 58 -10.704 -0.454 -17.496 1.00 0.00 C ATOM 886 O ARG A 58 -11.471 0.490 -17.689 1.00 0.00 O ATOM 887 CB ARG A 58 -8.900 0.882 -18.600 1.00 0.00 C ATOM 888 CG ARG A 58 -7.444 1.317 -18.594 1.00 0.00 C ATOM 889 CD ARG A 58 -7.261 2.661 -19.283 1.00 0.00 C ATOM 890 NE ARG A 58 -7.511 2.578 -20.719 1.00 0.00 N ATOM 891 CZ ARG A 58 -6.706 1.951 -21.570 1.00 0.00 C ATOM 892 NH1 ARG A 58 -5.606 1.355 -21.131 1.00 0.00 N ATOM 893 NH2 ARG A 58 -7.001 1.918 -22.863 1.00 0.00 N ATOM 0 H ARG A 58 -8.459 -1.542 -19.152 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.772 -0.057 -16.670 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -9.180 0.592 -19.613 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -9.526 1.732 -18.328 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.087 1.382 -17.566 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.836 0.564 -19.096 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.938 3.391 -18.839 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.247 3.021 -19.112 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.349 3.026 -21.089 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.376 1.377 -20.138 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.990 0.874 -21.787 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.847 2.374 -23.205 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.382 1.436 -23.515 1.00 0.00 H new ATOM 907 N SER A 59 -11.123 -1.667 -17.149 1.00 0.00 N ATOM 908 CA SER A 59 -12.539 -1.966 -16.975 1.00 0.00 C ATOM 909 C SER A 59 -12.873 -2.171 -15.500 1.00 0.00 C ATOM 910 O SER A 59 -13.896 -1.694 -15.012 1.00 0.00 O ATOM 911 CB SER A 59 -12.921 -3.213 -17.774 1.00 0.00 C ATOM 912 OG SER A 59 -12.625 -3.047 -19.150 1.00 0.00 O ATOM 0 H SER A 59 -10.501 -2.459 -16.983 1.00 0.00 H new ATOM 0 HA SER A 59 -13.113 -1.116 -17.345 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.383 -4.077 -17.385 1.00 0.00 H new ATOM 0 HB3 SER A 59 -13.984 -3.417 -17.649 1.00 0.00 H new ATOM 0 HG SER A 59 -12.877 -3.858 -19.639 1.00 0.00 H new ATOM 918 N GLY A 60 -12.001 -2.887 -14.796 1.00 0.00 N ATOM 919 CA GLY A 60 -12.220 -3.144 -13.385 1.00 0.00 C ATOM 920 C GLY A 60 -11.233 -2.407 -12.501 1.00 0.00 C ATOM 921 O GLY A 60 -10.897 -2.872 -11.413 1.00 0.00 O ATOM 0 H GLY A 60 -11.147 -3.293 -15.178 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.234 -2.847 -13.118 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.142 -4.215 -13.198 1.00 0.00 H new ATOM 925 N ARG A 61 -10.767 -1.254 -12.971 1.00 0.00 N ATOM 926 CA ARG A 61 -9.811 -0.452 -12.217 1.00 0.00 C ATOM 927 C ARG A 61 -10.262 -0.288 -10.768 1.00 0.00 C ATOM 928 O ARG A 61 -11.458 -0.292 -10.476 1.00 0.00 O ATOM 929 CB ARG A 61 -9.639 0.921 -12.868 1.00 0.00 C ATOM 930 CG ARG A 61 -10.600 1.972 -12.337 1.00 0.00 C ATOM 931 CD ARG A 61 -10.586 3.225 -13.197 1.00 0.00 C ATOM 932 NE ARG A 61 -11.567 4.209 -12.748 1.00 0.00 N ATOM 933 CZ ARG A 61 -11.790 5.362 -13.369 1.00 0.00 C ATOM 934 NH1 ARG A 61 -11.105 5.674 -14.461 1.00 0.00 N ATOM 935 NH2 ARG A 61 -12.700 6.205 -12.899 1.00 0.00 N ATOM 0 H ARG A 61 -11.036 -0.855 -13.870 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.853 -0.972 -12.224 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.616 1.263 -12.710 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.779 0.823 -13.944 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.609 1.561 -12.307 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.330 2.229 -11.313 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.591 3.669 -13.174 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.791 2.956 -14.233 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.111 3.999 -11.911 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.405 5.028 -14.826 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.278 6.560 -14.936 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.229 5.968 -12.060 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.870 7.090 -13.377 1.00 0.00 H new ATOM 949 N ARG A 62 -9.297 -0.144 -9.866 1.00 0.00 N ATOM 950 CA ARG A 62 -9.595 0.021 -8.448 1.00 0.00 C ATOM 951 C ARG A 62 -8.774 1.159 -7.849 1.00 0.00 C ATOM 952 O ARG A 62 -7.544 1.143 -7.894 1.00 0.00 O ATOM 953 CB ARG A 62 -9.313 -1.279 -7.692 1.00 0.00 C ATOM 954 CG ARG A 62 -10.210 -1.487 -6.483 1.00 0.00 C ATOM 955 CD ARG A 62 -11.600 -1.948 -6.894 1.00 0.00 C ATOM 956 NE ARG A 62 -12.493 -0.824 -7.162 1.00 0.00 N ATOM 957 CZ ARG A 62 -13.171 -0.182 -6.218 1.00 0.00 C ATOM 958 NH1 ARG A 62 -13.059 -0.551 -4.949 1.00 0.00 N ATOM 959 NH2 ARG A 62 -13.963 0.832 -6.541 1.00 0.00 N ATOM 0 H ARG A 62 -8.302 -0.138 -10.092 1.00 0.00 H new ATOM 0 HA ARG A 62 -10.652 0.268 -8.350 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -9.436 -2.120 -8.374 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.273 -1.282 -7.367 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.762 -2.226 -5.819 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -10.286 -0.557 -5.920 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -11.526 -2.572 -7.784 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.025 -2.568 -6.104 1.00 0.00 H new ATOM 0 HE ARG A 62 -12.602 -0.515 -8.128 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -12.451 -1.330 -4.696 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.581 -0.056 -4.226 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.052 1.119 -7.516 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.483 1.324 -5.815 1.00 0.00 H new ATOM 973 N LYS A 63 -9.464 2.147 -7.288 1.00 0.00 N ATOM 974 CA LYS A 63 -8.801 3.293 -6.679 1.00 0.00 C ATOM 975 C LYS A 63 -9.592 3.806 -5.480 1.00 0.00 C ATOM 976 O LYS A 63 -10.720 3.374 -5.236 1.00 0.00 O ATOM 977 CB LYS A 63 -8.628 4.415 -7.706 1.00 0.00 C ATOM 978 CG LYS A 63 -9.925 4.824 -8.382 1.00 0.00 C ATOM 979 CD LYS A 63 -10.637 5.920 -7.606 1.00 0.00 C ATOM 980 CE LYS A 63 -11.552 6.736 -8.506 1.00 0.00 C ATOM 981 NZ LYS A 63 -12.925 6.164 -8.567 1.00 0.00 N ATOM 0 H LYS A 63 -10.483 2.176 -7.243 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.819 2.970 -6.334 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.195 5.285 -7.212 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.917 4.094 -8.467 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.715 5.171 -9.394 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.579 3.957 -8.471 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.220 5.476 -6.799 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.900 6.577 -7.143 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.602 7.761 -8.139 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.131 6.777 -9.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.517 6.749 -9.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.881 5.195 -8.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.337 6.148 -7.612 1.00 0.00 H new ATOM 995 N THR A 64 -8.995 4.730 -4.733 1.00 0.00 N ATOM 996 CA THR A 64 -9.644 5.301 -3.560 1.00 0.00 C ATOM 997 C THR A 64 -10.327 6.622 -3.897 1.00 0.00 C ATOM 998 O THR A 64 -10.170 7.150 -4.999 1.00 0.00 O ATOM 999 CB THR A 64 -8.637 5.534 -2.418 1.00 0.00 C ATOM 1000 OG1 THR A 64 -7.547 6.338 -2.883 1.00 0.00 O ATOM 1001 CG2 THR A 64 -8.107 4.211 -1.886 1.00 0.00 C ATOM 0 H THR A 64 -8.063 5.099 -4.920 1.00 0.00 H new ATOM 0 HA THR A 64 -10.394 4.581 -3.232 1.00 0.00 H new ATOM 0 HB THR A 64 -9.152 6.053 -1.609 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.229 6.911 -2.154 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.398 4.401 -1.080 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.936 3.613 -1.507 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.607 3.670 -2.689 1.00 0.00 H new ATOM 1009 N HIS A 65 -11.085 7.151 -2.943 1.00 0.00 N ATOM 1010 CA HIS A 65 -11.791 8.413 -3.139 1.00 0.00 C ATOM 1011 C HIS A 65 -10.816 9.532 -3.491 1.00 0.00 C ATOM 1012 O HIS A 65 -9.622 9.442 -3.207 1.00 0.00 O ATOM 1013 CB HIS A 65 -12.577 8.783 -1.881 1.00 0.00 C ATOM 1014 CG HIS A 65 -13.640 7.789 -1.525 1.00 0.00 C ATOM 1015 ND1 HIS A 65 -13.699 6.450 -1.714 1.00 0.00 N flip ATOM 1016 CD2 HIS A 65 -14.816 8.138 -0.896 1.00 0.00 C flip ATOM 1017 CE1 HIS A 65 -14.897 6.019 -1.201 1.00 0.00 C flip ATOM 1018 NE2 HIS A 65 -15.552 7.056 -0.712 1.00 0.00 N flip ATOM 0 H HIS A 65 -11.227 6.726 -2.027 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.486 8.286 -3.969 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.885 8.877 -1.045 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -13.038 9.760 -2.025 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -15.093 9.139 -0.600 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -15.247 4.997 -1.198 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.470 7.027 -0.268 1.00 0.00 H new ATOM 1026 N VAL A 66 -11.333 10.587 -4.114 1.00 0.00 N ATOM 1027 CA VAL A 66 -10.508 11.724 -4.505 1.00 0.00 C ATOM 1028 C VAL A 66 -10.721 12.906 -3.566 1.00 0.00 C ATOM 1029 O VAL A 66 -11.744 13.586 -3.629 1.00 0.00 O ATOM 1030 CB VAL A 66 -10.813 12.168 -5.948 1.00 0.00 C ATOM 1031 CG1 VAL A 66 -10.074 13.456 -6.278 1.00 0.00 C ATOM 1032 CG2 VAL A 66 -10.448 11.067 -6.932 1.00 0.00 C ATOM 0 H VAL A 66 -12.319 10.678 -4.359 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.470 11.398 -4.444 1.00 0.00 H new ATOM 0 HB VAL A 66 -11.883 12.359 -6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -10.302 13.754 -7.301 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -10.389 14.242 -5.592 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -9.001 13.296 -6.177 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -10.670 11.398 -7.947 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.385 10.842 -6.848 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -11.027 10.171 -6.707 1.00 0.00 H new ATOM 1042 N SER A 67 -9.746 13.144 -2.694 1.00 0.00 N ATOM 1043 CA SER A 67 -9.827 14.242 -1.738 1.00 0.00 C ATOM 1044 C SER A 67 -9.401 15.557 -2.384 1.00 0.00 C ATOM 1045 O SER A 67 -8.563 15.577 -3.286 1.00 0.00 O ATOM 1046 CB SER A 67 -8.949 13.952 -0.519 1.00 0.00 C ATOM 1047 OG SER A 67 -9.313 12.725 0.090 1.00 0.00 O ATOM 0 H SER A 67 -8.891 12.591 -2.630 1.00 0.00 H new ATOM 0 HA SER A 67 -10.864 14.334 -1.416 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.902 13.916 -0.821 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.044 14.763 0.203 1.00 0.00 H new ATOM 0 HG SER A 67 -8.849 11.987 -0.358 1.00 0.00 H new ATOM 1053 N LYS A 68 -9.984 16.655 -1.915 1.00 0.00 N ATOM 1054 CA LYS A 68 -9.666 17.976 -2.444 1.00 0.00 C ATOM 1055 C LYS A 68 -9.200 18.910 -1.332 1.00 0.00 C ATOM 1056 O LYS A 68 -9.414 18.640 -0.150 1.00 0.00 O ATOM 1057 CB LYS A 68 -10.886 18.574 -3.148 1.00 0.00 C ATOM 1058 CG LYS A 68 -11.416 17.714 -4.283 1.00 0.00 C ATOM 1059 CD LYS A 68 -12.281 18.520 -5.237 1.00 0.00 C ATOM 1060 CE LYS A 68 -12.624 17.723 -6.487 1.00 0.00 C ATOM 1061 NZ LYS A 68 -12.929 18.611 -7.643 1.00 0.00 N ATOM 0 H LYS A 68 -10.680 16.656 -1.169 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.856 17.865 -3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.680 18.724 -2.416 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.623 19.557 -3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.581 17.276 -4.830 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.997 16.888 -3.874 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.199 18.820 -4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.759 19.434 -5.519 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.790 17.069 -6.741 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.482 17.082 -6.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.158 18.031 -8.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.741 19.218 -7.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.102 19.205 -7.852 1.00 0.00 H new ATOM 1075 N LYS A 69 -8.562 20.010 -1.717 1.00 0.00 N ATOM 1076 CA LYS A 69 -8.068 20.986 -0.754 1.00 0.00 C ATOM 1077 C LYS A 69 -7.299 20.299 0.370 1.00 0.00 C ATOM 1078 O LYS A 69 -7.439 20.656 1.541 1.00 0.00 O ATOM 1079 CB LYS A 69 -9.231 21.793 -0.172 1.00 0.00 C ATOM 1080 CG LYS A 69 -9.839 22.778 -1.154 1.00 0.00 C ATOM 1081 CD LYS A 69 -10.666 22.070 -2.215 1.00 0.00 C ATOM 1082 CE LYS A 69 -11.721 22.992 -2.807 1.00 0.00 C ATOM 1083 NZ LYS A 69 -12.183 22.522 -4.142 1.00 0.00 N ATOM 0 H LYS A 69 -8.375 20.248 -2.691 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.390 21.662 -1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.006 21.105 0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.882 22.337 0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.467 23.489 -0.616 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.046 23.352 -1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.011 21.709 -3.008 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.149 21.196 -1.778 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.572 23.052 -2.129 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.314 23.999 -2.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.901 23.177 -4.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.376 22.489 -4.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.595 21.571 -4.052 1.00 0.00 H new ATOM 1097 N THR A 70 -6.484 19.313 0.008 1.00 0.00 N ATOM 1098 CA THR A 70 -5.693 18.577 0.986 1.00 0.00 C ATOM 1099 C THR A 70 -4.530 17.852 0.318 1.00 0.00 C ATOM 1100 O THR A 70 -4.675 17.297 -0.773 1.00 0.00 O ATOM 1101 CB THR A 70 -6.553 17.552 1.748 1.00 0.00 C ATOM 1102 OG1 THR A 70 -5.875 17.129 2.935 1.00 0.00 O ATOM 1103 CG2 THR A 70 -6.857 16.344 0.874 1.00 0.00 C ATOM 0 H THR A 70 -6.355 19.006 -0.956 1.00 0.00 H new ATOM 0 HA THR A 70 -5.303 19.309 1.693 1.00 0.00 H new ATOM 0 HB THR A 70 -7.494 18.031 2.019 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.430 16.479 3.414 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.466 15.634 1.434 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.400 16.665 -0.015 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.924 15.866 0.576 1.00 0.00 H new ATOM 1111 N LEU A 71 -3.378 17.858 0.978 1.00 0.00 N ATOM 1112 CA LEU A 71 -2.189 17.199 0.448 1.00 0.00 C ATOM 1113 C LEU A 71 -2.014 15.814 1.064 1.00 0.00 C ATOM 1114 O LEU A 71 -1.530 14.891 0.411 1.00 0.00 O ATOM 1115 CB LEU A 71 -0.947 18.050 0.718 1.00 0.00 C ATOM 1116 CG LEU A 71 -1.010 19.500 0.237 1.00 0.00 C ATOM 1117 CD1 LEU A 71 0.192 20.283 0.742 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -1.086 19.556 -1.282 1.00 0.00 C ATOM 0 H LEU A 71 -3.241 18.312 1.881 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.317 17.085 -0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.759 18.052 1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.091 17.568 0.245 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.912 19.958 0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.130 21.313 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.201 20.272 1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.108 19.826 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.130 20.596 -1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.203 19.080 -1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.980 19.032 -1.621 1.00 0.00 H new ATOM 1130 N ASN A 72 -2.413 15.678 2.324 1.00 0.00 N ATOM 1131 CA ASN A 72 -2.302 14.406 3.028 1.00 0.00 C ATOM 1132 C ASN A 72 -3.675 13.770 3.224 1.00 0.00 C ATOM 1133 O ASN A 72 -4.278 13.854 4.294 1.00 0.00 O ATOM 1134 CB ASN A 72 -1.622 14.607 4.384 1.00 0.00 C ATOM 1135 CG ASN A 72 -2.109 15.854 5.095 1.00 0.00 C ATOM 1136 OD1 ASN A 72 -1.719 16.970 4.752 1.00 0.00 O ATOM 1137 ND2 ASN A 72 -2.966 15.670 6.093 1.00 0.00 N ATOM 0 H ASN A 72 -2.816 16.433 2.879 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.695 13.735 2.420 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.808 13.737 5.013 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.543 14.672 4.241 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.328 16.472 6.609 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.262 14.727 6.343 1.00 0.00 H new ATOM 1144 N PRO A 73 -4.182 13.118 2.167 1.00 0.00 N ATOM 1145 CA PRO A 73 -5.488 12.455 2.198 1.00 0.00 C ATOM 1146 C PRO A 73 -5.488 11.215 3.086 1.00 0.00 C ATOM 1147 O PRO A 73 -4.432 10.683 3.426 1.00 0.00 O ATOM 1148 CB PRO A 73 -5.723 12.065 0.737 1.00 0.00 C ATOM 1149 CG PRO A 73 -4.358 11.953 0.150 1.00 0.00 C ATOM 1150 CD PRO A 73 -3.517 12.978 0.860 1.00 0.00 C ATOM 0 HA PRO A 73 -6.263 13.101 2.611 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.265 11.122 0.661 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.317 12.817 0.217 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.954 10.951 0.291 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.378 12.140 -0.924 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.484 12.646 0.968 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.493 13.923 0.318 1.00 0.00 H new ATOM 1158 N VAL A 74 -6.680 10.760 3.460 1.00 0.00 N ATOM 1159 CA VAL A 74 -6.817 9.582 4.308 1.00 0.00 C ATOM 1160 C VAL A 74 -8.127 8.853 4.027 1.00 0.00 C ATOM 1161 O VAL A 74 -9.206 9.339 4.366 1.00 0.00 O ATOM 1162 CB VAL A 74 -6.760 9.955 5.801 1.00 0.00 C ATOM 1163 CG1 VAL A 74 -7.758 11.059 6.114 1.00 0.00 C ATOM 1164 CG2 VAL A 74 -7.017 8.731 6.666 1.00 0.00 C ATOM 0 H VAL A 74 -7.565 11.190 3.189 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.980 8.924 4.074 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.761 10.327 6.027 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.703 11.309 7.173 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.522 11.942 5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -8.765 10.718 5.873 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.973 9.013 7.718 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.003 8.326 6.440 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.259 7.975 6.461 1.00 0.00 H new ATOM 1174 N PHE A 75 -8.024 7.683 3.406 1.00 0.00 N ATOM 1175 CA PHE A 75 -9.201 6.885 3.079 1.00 0.00 C ATOM 1176 C PHE A 75 -9.305 5.669 3.995 1.00 0.00 C ATOM 1177 O PHE A 75 -10.396 5.152 4.237 1.00 0.00 O ATOM 1178 CB PHE A 75 -9.148 6.434 1.618 1.00 0.00 C ATOM 1179 CG PHE A 75 -8.423 7.396 0.720 1.00 0.00 C ATOM 1180 CD1 PHE A 75 -9.094 8.457 0.134 1.00 0.00 C ATOM 1181 CD2 PHE A 75 -7.071 7.238 0.462 1.00 0.00 C ATOM 1182 CE1 PHE A 75 -8.431 9.344 -0.693 1.00 0.00 C ATOM 1183 CE2 PHE A 75 -6.402 8.122 -0.364 1.00 0.00 C ATOM 1184 CZ PHE A 75 -7.083 9.176 -0.943 1.00 0.00 C ATOM 0 H PHE A 75 -7.138 7.266 3.119 1.00 0.00 H new ATOM 0 HA PHE A 75 -10.084 7.507 3.228 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.660 5.461 1.564 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.165 6.302 1.250 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.148 8.593 0.326 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.534 6.416 0.911 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.966 10.167 -1.143 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -5.348 7.989 -0.557 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.562 9.867 -1.590 1.00 0.00 H new ATOM 1194 N ASP A 76 -8.163 5.217 4.501 1.00 0.00 N ATOM 1195 CA ASP A 76 -8.124 4.062 5.390 1.00 0.00 C ATOM 1196 C ASP A 76 -9.020 2.944 4.867 1.00 0.00 C ATOM 1197 O ASP A 76 -9.592 2.180 5.645 1.00 0.00 O ATOM 1198 CB ASP A 76 -8.559 4.463 6.801 1.00 0.00 C ATOM 1199 CG ASP A 76 -8.231 3.402 7.832 1.00 0.00 C ATOM 1200 OD1 ASP A 76 -7.101 2.869 7.797 1.00 0.00 O ATOM 1201 OD2 ASP A 76 -9.103 3.103 8.674 1.00 0.00 O ATOM 0 H ASP A 76 -7.251 5.633 4.311 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.098 3.695 5.425 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -8.070 5.397 7.077 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.633 4.652 6.807 1.00 0.00 H new ATOM 1206 N GLN A 77 -9.137 2.854 3.546 1.00 0.00 N ATOM 1207 CA GLN A 77 -9.964 1.830 2.921 1.00 0.00 C ATOM 1208 C GLN A 77 -9.174 0.541 2.717 1.00 0.00 C ATOM 1209 O GLN A 77 -7.943 0.551 2.707 1.00 0.00 O ATOM 1210 CB GLN A 77 -10.503 2.329 1.579 1.00 0.00 C ATOM 1211 CG GLN A 77 -11.870 1.766 1.224 1.00 0.00 C ATOM 1212 CD GLN A 77 -12.106 1.706 -0.272 1.00 0.00 C ATOM 1213 OE1 GLN A 77 -12.145 0.627 -0.863 1.00 0.00 O ATOM 1214 NE2 GLN A 77 -12.267 2.869 -0.893 1.00 0.00 N ATOM 0 H GLN A 77 -8.669 3.478 2.889 1.00 0.00 H new ATOM 0 HA GLN A 77 -10.802 1.620 3.586 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.563 3.417 1.603 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -9.796 2.066 0.793 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.966 0.765 1.644 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.643 2.381 1.685 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -12.227 3.740 -0.363 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -12.431 2.891 -1.900 1.00 0.00 H new ATOM 1223 N SER A 78 -9.891 -0.567 2.557 1.00 0.00 N ATOM 1224 CA SER A 78 -9.256 -1.865 2.359 1.00 0.00 C ATOM 1225 C SER A 78 -9.870 -2.592 1.166 1.00 0.00 C ATOM 1226 O SER A 78 -11.062 -2.898 1.157 1.00 0.00 O ATOM 1227 CB SER A 78 -9.394 -2.721 3.619 1.00 0.00 C ATOM 1228 OG SER A 78 -8.968 -4.052 3.380 1.00 0.00 O ATOM 0 H SER A 78 -10.911 -0.592 2.561 1.00 0.00 H new ATOM 0 HA SER A 78 -8.198 -1.698 2.156 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.803 -2.286 4.425 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.433 -2.722 3.950 1.00 0.00 H new ATOM 0 HG SER A 78 -9.064 -4.579 4.201 1.00 0.00 H new ATOM 1234 N PHE A 79 -9.045 -2.866 0.160 1.00 0.00 N ATOM 1235 CA PHE A 79 -9.505 -3.557 -1.039 1.00 0.00 C ATOM 1236 C PHE A 79 -9.104 -5.029 -1.006 1.00 0.00 C ATOM 1237 O PHE A 79 -8.287 -5.443 -0.184 1.00 0.00 O ATOM 1238 CB PHE A 79 -8.932 -2.888 -2.290 1.00 0.00 C ATOM 1239 CG PHE A 79 -9.299 -1.437 -2.416 1.00 0.00 C ATOM 1240 CD1 PHE A 79 -8.769 -0.497 -1.548 1.00 0.00 C ATOM 1241 CD2 PHE A 79 -10.175 -1.014 -3.402 1.00 0.00 C ATOM 1242 CE1 PHE A 79 -9.106 0.839 -1.661 1.00 0.00 C ATOM 1243 CE2 PHE A 79 -10.516 0.320 -3.521 1.00 0.00 C ATOM 1244 CZ PHE A 79 -9.979 1.248 -2.649 1.00 0.00 C ATOM 0 H PHE A 79 -8.055 -2.620 0.152 1.00 0.00 H new ATOM 0 HA PHE A 79 -10.593 -3.496 -1.069 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.846 -2.980 -2.276 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -9.286 -3.422 -3.172 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.085 -0.811 -0.774 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -10.597 -1.735 -4.086 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.687 1.562 -0.977 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -11.201 0.637 -4.294 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.242 2.292 -2.740 1.00 0.00 H new ATOM 1254 N ASP A 80 -9.686 -5.814 -1.906 1.00 0.00 N ATOM 1255 CA ASP A 80 -9.390 -7.240 -1.982 1.00 0.00 C ATOM 1256 C ASP A 80 -9.464 -7.735 -3.423 1.00 0.00 C ATOM 1257 O ASP A 80 -10.144 -7.140 -4.260 1.00 0.00 O ATOM 1258 CB ASP A 80 -10.363 -8.032 -1.107 1.00 0.00 C ATOM 1259 CG ASP A 80 -11.717 -7.359 -0.991 1.00 0.00 C ATOM 1260 OD1 ASP A 80 -12.594 -7.640 -1.835 1.00 0.00 O ATOM 1261 OD2 ASP A 80 -11.899 -6.551 -0.056 1.00 0.00 O ATOM 0 H ASP A 80 -10.365 -5.487 -2.593 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.375 -7.395 -1.616 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.492 -9.031 -1.524 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -9.935 -8.155 -0.112 1.00 0.00 H new ATOM 1266 N PHE A 81 -8.760 -8.826 -3.706 1.00 0.00 N ATOM 1267 CA PHE A 81 -8.745 -9.399 -5.046 1.00 0.00 C ATOM 1268 C PHE A 81 -8.542 -10.911 -4.989 1.00 0.00 C ATOM 1269 O PHE A 81 -7.563 -11.396 -4.422 1.00 0.00 O ATOM 1270 CB PHE A 81 -7.638 -8.757 -5.886 1.00 0.00 C ATOM 1271 CG PHE A 81 -7.549 -7.267 -5.721 1.00 0.00 C ATOM 1272 CD1 PHE A 81 -8.454 -6.431 -6.356 1.00 0.00 C ATOM 1273 CD2 PHE A 81 -6.561 -6.702 -4.931 1.00 0.00 C ATOM 1274 CE1 PHE A 81 -8.375 -5.059 -6.206 1.00 0.00 C ATOM 1275 CE2 PHE A 81 -6.477 -5.331 -4.777 1.00 0.00 C ATOM 1276 CZ PHE A 81 -7.385 -4.509 -5.416 1.00 0.00 C ATOM 0 H PHE A 81 -8.193 -9.331 -3.025 1.00 0.00 H new ATOM 0 HA PHE A 81 -9.710 -9.196 -5.511 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.681 -9.203 -5.614 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.810 -8.989 -6.937 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -9.230 -6.856 -6.975 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.848 -7.340 -4.430 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -9.086 -4.418 -6.706 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.703 -4.903 -4.158 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.321 -3.437 -5.298 1.00 0.00 H new ATOM 1286 N SER A 82 -9.476 -11.650 -5.580 1.00 0.00 N ATOM 1287 CA SER A 82 -9.404 -13.106 -5.593 1.00 0.00 C ATOM 1288 C SER A 82 -8.261 -13.585 -6.483 1.00 0.00 C ATOM 1289 O SER A 82 -8.449 -13.834 -7.674 1.00 0.00 O ATOM 1290 CB SER A 82 -10.728 -13.699 -6.079 1.00 0.00 C ATOM 1291 OG SER A 82 -11.108 -13.143 -7.326 1.00 0.00 O ATOM 0 H SER A 82 -10.291 -11.264 -6.056 1.00 0.00 H new ATOM 0 HA SER A 82 -9.215 -13.445 -4.575 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.633 -14.781 -6.173 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.507 -13.511 -5.341 1.00 0.00 H new ATOM 0 HG SER A 82 -10.343 -13.159 -7.938 1.00 0.00 H new ATOM 1297 N VAL A 83 -7.075 -13.713 -5.895 1.00 0.00 N ATOM 1298 CA VAL A 83 -5.901 -14.163 -6.633 1.00 0.00 C ATOM 1299 C VAL A 83 -5.008 -15.039 -5.762 1.00 0.00 C ATOM 1300 O VAL A 83 -4.720 -14.702 -4.614 1.00 0.00 O ATOM 1301 CB VAL A 83 -5.079 -12.973 -7.160 1.00 0.00 C ATOM 1302 CG1 VAL A 83 -4.774 -11.995 -6.036 1.00 0.00 C ATOM 1303 CG2 VAL A 83 -3.795 -13.461 -7.815 1.00 0.00 C ATOM 0 H VAL A 83 -6.902 -13.511 -4.910 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.263 -14.747 -7.479 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.669 -12.452 -7.913 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.192 -11.161 -6.428 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.708 -11.621 -5.616 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.203 -12.502 -5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.226 -12.607 -8.182 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.199 -14.007 -7.084 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.039 -14.119 -8.649 1.00 0.00 H new ATOM 1313 N SER A 84 -4.570 -16.165 -6.317 1.00 0.00 N ATOM 1314 CA SER A 84 -3.710 -17.092 -5.590 1.00 0.00 C ATOM 1315 C SER A 84 -2.294 -16.538 -5.469 1.00 0.00 C ATOM 1316 O SER A 84 -1.810 -15.838 -6.360 1.00 0.00 O ATOM 1317 CB SER A 84 -3.681 -18.451 -6.292 1.00 0.00 C ATOM 1318 OG SER A 84 -4.913 -18.717 -6.940 1.00 0.00 O ATOM 0 H SER A 84 -4.797 -16.457 -7.268 1.00 0.00 H new ATOM 0 HA SER A 84 -4.118 -17.218 -4.587 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.871 -18.470 -7.022 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.473 -19.235 -5.564 1.00 0.00 H new ATOM 0 HG SER A 84 -4.868 -19.590 -7.382 1.00 0.00 H new ATOM 1324 N LEU A 85 -1.634 -16.857 -4.361 1.00 0.00 N ATOM 1325 CA LEU A 85 -0.272 -16.392 -4.122 1.00 0.00 C ATOM 1326 C LEU A 85 0.641 -16.759 -5.288 1.00 0.00 C ATOM 1327 O LEU A 85 1.452 -15.955 -5.750 1.00 0.00 O ATOM 1328 CB LEU A 85 0.272 -16.992 -2.825 1.00 0.00 C ATOM 1329 CG LEU A 85 1.790 -16.939 -2.645 1.00 0.00 C ATOM 1330 CD1 LEU A 85 2.221 -15.567 -2.152 1.00 0.00 C ATOM 1331 CD2 LEU A 85 2.251 -18.023 -1.682 1.00 0.00 C ATOM 0 H LEU A 85 -2.019 -17.435 -3.614 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.295 -15.306 -4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.191 -16.473 -1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.044 -18.034 -2.770 1.00 0.00 H new ATOM 0 HG LEU A 85 2.258 -17.118 -3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.304 -15.548 -2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.924 -14.810 -2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.744 -15.358 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.334 -17.970 -1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.775 -17.875 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.976 -19.001 -2.076 1.00 0.00 H new ATOM 1343 N PRO A 86 0.508 -18.000 -5.777 1.00 0.00 N ATOM 1344 CA PRO A 86 1.310 -18.501 -6.896 1.00 0.00 C ATOM 1345 C PRO A 86 1.346 -17.524 -8.066 1.00 0.00 C ATOM 1346 O PRO A 86 2.341 -17.439 -8.786 1.00 0.00 O ATOM 1347 CB PRO A 86 0.592 -19.791 -7.299 1.00 0.00 C ATOM 1348 CG PRO A 86 -0.101 -20.242 -6.059 1.00 0.00 C ATOM 1349 CD PRO A 86 -0.438 -19.011 -5.274 1.00 0.00 C ATOM 0 HA PRO A 86 2.353 -18.648 -6.616 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.118 -19.613 -8.107 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.297 -20.542 -7.654 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.003 -20.803 -6.303 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.540 -20.906 -5.479 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.472 -18.705 -5.434 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.316 -19.174 -4.203 1.00 0.00 H new ATOM 1357 N GLU A 87 0.254 -16.788 -8.250 1.00 0.00 N ATOM 1358 CA GLU A 87 0.162 -15.817 -9.334 1.00 0.00 C ATOM 1359 C GLU A 87 0.639 -14.442 -8.875 1.00 0.00 C ATOM 1360 O GLU A 87 1.601 -13.894 -9.413 1.00 0.00 O ATOM 1361 CB GLU A 87 -1.277 -15.725 -9.846 1.00 0.00 C ATOM 1362 CG GLU A 87 -1.593 -16.715 -10.954 1.00 0.00 C ATOM 1363 CD GLU A 87 -1.217 -16.193 -12.328 1.00 0.00 C ATOM 1364 OE1 GLU A 87 -0.163 -15.534 -12.444 1.00 0.00 O ATOM 1365 OE2 GLU A 87 -1.978 -16.444 -13.286 1.00 0.00 O ATOM 0 H GLU A 87 -0.578 -16.846 -7.663 1.00 0.00 H new ATOM 0 HA GLU A 87 0.807 -16.154 -10.145 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.961 -15.893 -9.014 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.460 -14.714 -10.210 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.061 -17.647 -10.766 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.658 -16.947 -10.936 1.00 0.00 H new ATOM 1372 N VAL A 88 -0.042 -13.889 -7.876 1.00 0.00 N ATOM 1373 CA VAL A 88 0.311 -12.578 -7.344 1.00 0.00 C ATOM 1374 C VAL A 88 1.821 -12.437 -7.188 1.00 0.00 C ATOM 1375 O VAL A 88 2.374 -11.353 -7.371 1.00 0.00 O ATOM 1376 CB VAL A 88 -0.360 -12.328 -5.980 1.00 0.00 C ATOM 1377 CG1 VAL A 88 0.501 -12.875 -4.852 1.00 0.00 C ATOM 1378 CG2 VAL A 88 -0.630 -10.844 -5.784 1.00 0.00 C ATOM 0 H VAL A 88 -0.841 -14.328 -7.419 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.048 -11.838 -8.059 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.315 -12.854 -5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.010 -12.689 -3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.638 -13.948 -4.986 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.472 -12.381 -4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.104 -10.685 -4.815 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.311 -10.295 -5.822 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.290 -10.487 -6.574 1.00 0.00 H new ATOM 1388 N GLN A 89 2.481 -13.540 -6.851 1.00 0.00 N ATOM 1389 CA GLN A 89 3.928 -13.538 -6.671 1.00 0.00 C ATOM 1390 C GLN A 89 4.625 -12.903 -7.870 1.00 0.00 C ATOM 1391 O GLN A 89 5.387 -11.947 -7.722 1.00 0.00 O ATOM 1392 CB GLN A 89 4.440 -14.965 -6.467 1.00 0.00 C ATOM 1393 CG GLN A 89 4.313 -15.457 -5.034 1.00 0.00 C ATOM 1394 CD GLN A 89 4.710 -16.912 -4.880 1.00 0.00 C ATOM 1395 OE1 GLN A 89 4.618 -17.425 -3.658 1.00 0.00 O flip ATOM 1396 NE2 GLN A 89 5.095 -17.569 -5.847 1.00 0.00 N flip ATOM 0 H GLN A 89 2.038 -14.446 -6.697 1.00 0.00 H new ATOM 0 HA GLN A 89 4.157 -12.947 -5.785 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.888 -15.638 -7.124 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.487 -15.013 -6.768 1.00 0.00 H new ATOM 0 HG2 GLN A 89 4.939 -14.843 -4.386 1.00 0.00 H new ATOM 0 HG3 GLN A 89 3.284 -15.328 -4.699 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.151 -17.135 -6.769 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.358 -18.547 -5.727 1.00 0.00 H new ATOM 1405 N ARG A 90 4.359 -13.440 -9.056 1.00 0.00 N ATOM 1406 CA ARG A 90 4.962 -12.926 -10.280 1.00 0.00 C ATOM 1407 C ARG A 90 4.398 -11.552 -10.628 1.00 0.00 C ATOM 1408 O ARG A 90 5.102 -10.701 -11.174 1.00 0.00 O ATOM 1409 CB ARG A 90 4.722 -13.896 -11.438 1.00 0.00 C ATOM 1410 CG ARG A 90 5.089 -15.335 -11.114 1.00 0.00 C ATOM 1411 CD ARG A 90 4.497 -16.303 -12.127 1.00 0.00 C ATOM 1412 NE ARG A 90 5.233 -17.563 -12.174 1.00 0.00 N ATOM 1413 CZ ARG A 90 6.470 -17.675 -12.643 1.00 0.00 C ATOM 1414 NH1 ARG A 90 7.108 -16.608 -13.102 1.00 0.00 N ATOM 1415 NH2 ARG A 90 7.073 -18.857 -12.652 1.00 0.00 N ATOM 0 H ARG A 90 3.730 -14.231 -9.195 1.00 0.00 H new ATOM 0 HA ARG A 90 6.035 -12.828 -10.114 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.671 -13.854 -11.724 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.301 -13.568 -12.301 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.174 -15.440 -11.099 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.731 -15.587 -10.116 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.455 -16.501 -11.874 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.503 -15.843 -13.115 1.00 0.00 H new ATOM 0 HE ARG A 90 4.771 -18.404 -11.827 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.649 -15.697 -13.096 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.058 -16.698 -13.462 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.586 -19.681 -12.298 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.023 -18.942 -13.013 1.00 0.00 H new ATOM 1429 N ARG A 91 3.125 -11.342 -10.310 1.00 0.00 N ATOM 1430 CA ARG A 91 2.467 -10.072 -10.590 1.00 0.00 C ATOM 1431 C ARG A 91 3.063 -8.951 -9.743 1.00 0.00 C ATOM 1432 O ARG A 91 3.849 -9.200 -8.828 1.00 0.00 O ATOM 1433 CB ARG A 91 0.964 -10.182 -10.325 1.00 0.00 C ATOM 1434 CG ARG A 91 0.230 -11.047 -11.336 1.00 0.00 C ATOM 1435 CD ARG A 91 -1.221 -11.265 -10.934 1.00 0.00 C ATOM 1436 NE ARG A 91 -1.967 -12.000 -11.951 1.00 0.00 N ATOM 1437 CZ ARG A 91 -2.381 -11.461 -13.092 1.00 0.00 C ATOM 1438 NH1 ARG A 91 -2.124 -10.189 -13.360 1.00 0.00 N ATOM 1439 NH2 ARG A 91 -3.055 -12.196 -13.968 1.00 0.00 N ATOM 0 H ARG A 91 2.529 -12.035 -9.858 1.00 0.00 H new ATOM 0 HA ARG A 91 2.627 -9.834 -11.641 1.00 0.00 H new ATOM 0 HB2 ARG A 91 0.808 -10.592 -9.327 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.529 -9.183 -10.330 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.270 -10.575 -12.317 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.733 -12.010 -11.425 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.258 -11.812 -9.992 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.698 -10.300 -10.761 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.182 -12.982 -11.776 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -1.607 -9.621 -12.689 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.443 -9.778 -14.237 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.255 -13.175 -13.765 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.373 -11.781 -14.844 1.00 0.00 H new ATOM 1453 N THR A 92 2.683 -7.716 -10.053 1.00 0.00 N ATOM 1454 CA THR A 92 3.181 -6.557 -9.322 1.00 0.00 C ATOM 1455 C THR A 92 2.060 -5.563 -9.039 1.00 0.00 C ATOM 1456 O THR A 92 1.158 -5.379 -9.858 1.00 0.00 O ATOM 1457 CB THR A 92 4.303 -5.842 -10.098 1.00 0.00 C ATOM 1458 OG1 THR A 92 5.318 -6.782 -10.467 1.00 0.00 O ATOM 1459 CG2 THR A 92 4.914 -4.728 -9.262 1.00 0.00 C ATOM 0 H THR A 92 2.032 -7.492 -10.805 1.00 0.00 H new ATOM 0 HA THR A 92 3.582 -6.927 -8.378 1.00 0.00 H new ATOM 0 HB THR A 92 3.871 -5.403 -10.997 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.027 -6.320 -10.961 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.704 -4.238 -9.831 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.144 -4.000 -9.008 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.333 -5.147 -8.347 1.00 0.00 H new ATOM 1467 N LEU A 93 2.123 -4.923 -7.877 1.00 0.00 N ATOM 1468 CA LEU A 93 1.113 -3.945 -7.487 1.00 0.00 C ATOM 1469 C LEU A 93 1.479 -2.553 -7.991 1.00 0.00 C ATOM 1470 O LEU A 93 2.426 -1.935 -7.505 1.00 0.00 O ATOM 1471 CB LEU A 93 0.956 -3.924 -5.965 1.00 0.00 C ATOM 1472 CG LEU A 93 -0.430 -3.553 -5.438 1.00 0.00 C ATOM 1473 CD1 LEU A 93 -1.395 -4.717 -5.610 1.00 0.00 C ATOM 1474 CD2 LEU A 93 -0.352 -3.135 -3.977 1.00 0.00 C ATOM 0 H LEU A 93 2.862 -5.063 -7.188 1.00 0.00 H new ATOM 0 HA LEU A 93 0.166 -4.237 -7.940 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.217 -4.909 -5.579 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.679 -3.219 -5.555 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.803 -2.708 -6.017 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.377 -4.435 -5.229 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.475 -4.970 -6.667 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.026 -5.581 -5.057 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.348 -2.875 -3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.043 -3.960 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.306 -2.271 -3.880 1.00 0.00 H new ATOM 1486 N ASP A 94 0.721 -2.065 -8.967 1.00 0.00 N ATOM 1487 CA ASP A 94 0.963 -0.744 -9.535 1.00 0.00 C ATOM 1488 C ASP A 94 0.318 0.343 -8.680 1.00 0.00 C ATOM 1489 O ASP A 94 -0.882 0.596 -8.781 1.00 0.00 O ATOM 1490 CB ASP A 94 0.423 -0.673 -10.965 1.00 0.00 C ATOM 1491 CG ASP A 94 0.319 0.751 -11.474 1.00 0.00 C ATOM 1492 OD1 ASP A 94 1.159 1.586 -11.079 1.00 0.00 O ATOM 1493 OD2 ASP A 94 -0.602 1.030 -12.270 1.00 0.00 O ATOM 0 H ASP A 94 -0.066 -2.564 -9.381 1.00 0.00 H new ATOM 0 HA ASP A 94 2.040 -0.576 -9.553 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.075 -1.245 -11.625 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.560 -1.142 -11.003 1.00 0.00 H new ATOM 1498 N VAL A 95 1.124 0.981 -7.837 1.00 0.00 N ATOM 1499 CA VAL A 95 0.632 2.040 -6.964 1.00 0.00 C ATOM 1500 C VAL A 95 1.214 3.393 -7.360 1.00 0.00 C ATOM 1501 O VAL A 95 2.409 3.637 -7.198 1.00 0.00 O ATOM 1502 CB VAL A 95 0.976 1.757 -5.490 1.00 0.00 C ATOM 1503 CG1 VAL A 95 0.200 2.689 -4.572 1.00 0.00 C ATOM 1504 CG2 VAL A 95 0.694 0.302 -5.148 1.00 0.00 C ATOM 0 H VAL A 95 2.120 0.783 -7.740 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.452 2.066 -7.078 1.00 0.00 H new ATOM 0 HB VAL A 95 2.040 1.942 -5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.456 2.474 -3.535 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.456 3.723 -4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.869 2.539 -4.720 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.943 0.119 -4.103 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.362 0.088 -5.313 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.299 -0.345 -5.783 1.00 0.00 H new ATOM 1514 N ALA A 96 0.360 4.269 -7.879 1.00 0.00 N ATOM 1515 CA ALA A 96 0.789 5.599 -8.296 1.00 0.00 C ATOM 1516 C ALA A 96 -0.168 6.670 -7.782 1.00 0.00 C ATOM 1517 O ALA A 96 -1.368 6.627 -8.055 1.00 0.00 O ATOM 1518 CB ALA A 96 0.897 5.668 -9.812 1.00 0.00 C ATOM 0 H ALA A 96 -0.633 4.082 -8.021 1.00 0.00 H new ATOM 0 HA ALA A 96 1.772 5.789 -7.864 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.218 6.666 -10.109 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.625 4.935 -10.159 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.075 5.452 -10.256 1.00 0.00 H new ATOM 1524 N VAL A 97 0.370 7.630 -7.038 1.00 0.00 N ATOM 1525 CA VAL A 97 -0.436 8.713 -6.486 1.00 0.00 C ATOM 1526 C VAL A 97 -0.273 9.990 -7.303 1.00 0.00 C ATOM 1527 O VAL A 97 0.751 10.669 -7.216 1.00 0.00 O ATOM 1528 CB VAL A 97 -0.060 9.002 -5.021 1.00 0.00 C ATOM 1529 CG1 VAL A 97 -0.976 10.065 -4.434 1.00 0.00 C ATOM 1530 CG2 VAL A 97 -0.114 7.725 -4.195 1.00 0.00 C ATOM 0 H VAL A 97 1.361 7.680 -6.803 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.476 8.388 -6.529 1.00 0.00 H new ATOM 0 HB VAL A 97 0.961 9.382 -4.995 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.695 10.256 -3.398 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.882 10.985 -5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.008 9.717 -4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.155 7.948 -3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.123 7.314 -4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.588 6.998 -4.603 1.00 0.00 H new ATOM 1540 N LYS A 98 -1.289 10.312 -8.096 1.00 0.00 N ATOM 1541 CA LYS A 98 -1.260 11.509 -8.928 1.00 0.00 C ATOM 1542 C LYS A 98 -2.523 12.340 -8.728 1.00 0.00 C ATOM 1543 O LYS A 98 -3.428 11.945 -7.994 1.00 0.00 O ATOM 1544 CB LYS A 98 -1.118 11.126 -10.403 1.00 0.00 C ATOM 1545 CG LYS A 98 -2.027 9.986 -10.826 1.00 0.00 C ATOM 1546 CD LYS A 98 -1.432 9.198 -11.982 1.00 0.00 C ATOM 1547 CE LYS A 98 -1.954 7.769 -12.010 1.00 0.00 C ATOM 1548 NZ LYS A 98 -1.965 7.210 -13.389 1.00 0.00 N ATOM 0 H LYS A 98 -2.143 9.761 -8.180 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.400 12.108 -8.630 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.334 11.999 -11.019 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.083 10.846 -10.599 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.196 9.320 -9.979 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.999 10.384 -11.118 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.673 9.693 -12.923 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.345 9.188 -11.896 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.333 7.143 -11.369 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.963 7.743 -11.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.327 6.235 -13.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.578 7.792 -13.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.998 7.211 -13.772 1.00 0.00 H new ATOM 1562 N ASN A 99 -2.578 13.494 -9.387 1.00 0.00 N ATOM 1563 CA ASN A 99 -3.731 14.380 -9.281 1.00 0.00 C ATOM 1564 C ASN A 99 -4.807 13.996 -10.291 1.00 0.00 C ATOM 1565 O ASN A 99 -4.558 13.959 -11.496 1.00 0.00 O ATOM 1566 CB ASN A 99 -3.305 15.833 -9.501 1.00 0.00 C ATOM 1567 CG ASN A 99 -2.887 16.102 -10.934 1.00 0.00 C ATOM 1568 OD1 ASN A 99 -2.461 15.195 -11.649 1.00 0.00 O ATOM 1569 ND2 ASN A 99 -3.006 17.355 -11.360 1.00 0.00 N ATOM 0 H ASN A 99 -1.838 13.836 -9.999 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.146 14.277 -8.278 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -4.129 16.495 -9.236 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -2.477 16.071 -8.833 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -2.739 17.597 -12.314 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -3.364 18.075 -10.733 1.00 0.00 H new ATOM 1576 N SER A 100 -6.005 13.711 -9.792 1.00 0.00 N ATOM 1577 CA SER A 100 -7.120 13.326 -10.650 1.00 0.00 C ATOM 1578 C SER A 100 -7.309 14.334 -11.779 1.00 0.00 C ATOM 1579 O SER A 100 -7.517 15.522 -11.538 1.00 0.00 O ATOM 1580 CB SER A 100 -8.407 13.213 -9.830 1.00 0.00 C ATOM 1581 OG SER A 100 -8.637 14.392 -9.078 1.00 0.00 O ATOM 0 H SER A 100 -6.229 13.739 -8.797 1.00 0.00 H new ATOM 0 HA SER A 100 -6.891 12.355 -11.088 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.251 13.032 -10.495 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.340 12.357 -9.159 1.00 0.00 H new ATOM 0 HG SER A 100 -8.388 15.175 -9.612 1.00 0.00 H new ATOM 1587 N GLY A 101 -7.236 13.849 -13.015 1.00 0.00 N ATOM 1588 CA GLY A 101 -7.401 14.720 -14.164 1.00 0.00 C ATOM 1589 C GLY A 101 -6.142 14.817 -15.003 1.00 0.00 C ATOM 1590 O GLY A 101 -5.193 14.060 -14.802 1.00 0.00 O ATOM 0 H GLY A 101 -7.066 12.869 -13.241 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -8.219 14.350 -14.782 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -7.685 15.716 -13.824 1.00 0.00 H new ATOM 1594 N GLY A 102 -6.133 15.752 -15.949 1.00 0.00 N ATOM 1595 CA GLY A 102 -4.977 15.928 -16.808 1.00 0.00 C ATOM 1596 C GLY A 102 -5.135 15.226 -18.142 1.00 0.00 C ATOM 1597 O GLY A 102 -4.277 14.439 -18.543 1.00 0.00 O ATOM 0 H GLY A 102 -6.906 16.391 -16.135 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.813 16.992 -16.978 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.090 15.545 -16.302 1.00 0.00 H new ATOM 1601 N PHE A 103 -6.235 15.509 -18.832 1.00 0.00 N ATOM 1602 CA PHE A 103 -6.504 14.897 -20.128 1.00 0.00 C ATOM 1603 C PHE A 103 -6.632 15.960 -21.215 1.00 0.00 C ATOM 1604 O PHE A 103 -7.721 16.201 -21.738 1.00 0.00 O ATOM 1605 CB PHE A 103 -7.783 14.059 -20.064 1.00 0.00 C ATOM 1606 CG PHE A 103 -8.970 14.816 -19.542 1.00 0.00 C ATOM 1607 CD1 PHE A 103 -9.142 15.009 -18.181 1.00 0.00 C ATOM 1608 CD2 PHE A 103 -9.915 15.335 -20.413 1.00 0.00 C ATOM 1609 CE1 PHE A 103 -10.233 15.705 -17.697 1.00 0.00 C ATOM 1610 CE2 PHE A 103 -11.008 16.033 -19.935 1.00 0.00 C ATOM 1611 CZ PHE A 103 -11.168 16.217 -18.576 1.00 0.00 C ATOM 0 H PHE A 103 -6.955 16.159 -18.515 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.665 14.248 -20.377 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -8.012 13.683 -21.061 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -7.608 13.191 -19.429 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -8.414 14.610 -17.490 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -9.796 15.192 -21.477 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -10.355 15.849 -16.634 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -11.736 16.434 -20.624 1.00 0.00 H new ATOM 0 HZ PHE A 103 -12.023 16.760 -18.201 1.00 0.00 H new ATOM 1621 N LEU A 104 -5.513 16.592 -21.550 1.00 0.00 N ATOM 1622 CA LEU A 104 -5.499 17.630 -22.575 1.00 0.00 C ATOM 1623 C LEU A 104 -4.912 17.100 -23.879 1.00 0.00 C ATOM 1624 O LEU A 104 -5.573 17.108 -24.918 1.00 0.00 O ATOM 1625 CB LEU A 104 -4.693 18.838 -22.094 1.00 0.00 C ATOM 1626 CG LEU A 104 -5.379 19.736 -21.065 1.00 0.00 C ATOM 1627 CD1 LEU A 104 -6.675 20.300 -21.627 1.00 0.00 C ATOM 1628 CD2 LEU A 104 -5.644 18.967 -19.779 1.00 0.00 C ATOM 0 H LEU A 104 -4.604 16.404 -21.127 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.528 17.937 -22.760 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.757 18.478 -21.666 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.434 19.445 -22.961 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.713 20.569 -20.837 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.149 20.937 -20.880 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.459 20.887 -22.520 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.347 19.481 -21.885 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.133 19.622 -19.058 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.290 18.115 -19.991 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.700 18.613 -19.366 1.00 0.00 H new ATOM 1640 N SER A 105 -3.668 16.636 -23.817 1.00 0.00 N ATOM 1641 CA SER A 105 -2.991 16.103 -24.994 1.00 0.00 C ATOM 1642 C SER A 105 -1.903 15.112 -24.592 1.00 0.00 C ATOM 1643 O SER A 105 -0.841 15.500 -24.106 1.00 0.00 O ATOM 1644 CB SER A 105 -2.382 17.240 -25.817 1.00 0.00 C ATOM 1645 OG SER A 105 -3.310 17.737 -26.765 1.00 0.00 O ATOM 0 H SER A 105 -3.108 16.618 -22.964 1.00 0.00 H new ATOM 0 HA SER A 105 -3.729 15.579 -25.601 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.068 18.046 -25.153 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.489 16.884 -26.330 1.00 0.00 H new ATOM 0 HG SER A 105 -4.220 17.638 -26.415 1.00 0.00 H new ATOM 1651 N LYS A 106 -2.176 13.828 -24.798 1.00 0.00 N ATOM 1652 CA LYS A 106 -1.223 12.778 -24.460 1.00 0.00 C ATOM 1653 C LYS A 106 -0.403 13.163 -23.232 1.00 0.00 C ATOM 1654 O LYS A 106 0.827 13.136 -23.262 1.00 0.00 O ATOM 1655 CB LYS A 106 -0.291 12.506 -25.643 1.00 0.00 C ATOM 1656 CG LYS A 106 0.593 13.687 -26.006 1.00 0.00 C ATOM 1657 CD LYS A 106 1.117 13.576 -27.427 1.00 0.00 C ATOM 1658 CE LYS A 106 2.310 12.636 -27.510 1.00 0.00 C ATOM 1659 NZ LYS A 106 3.095 12.845 -28.758 1.00 0.00 N ATOM 0 H LYS A 106 -3.051 13.489 -25.198 1.00 0.00 H new ATOM 0 HA LYS A 106 -1.784 11.872 -24.232 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.340 11.649 -25.408 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -0.890 12.231 -26.511 1.00 0.00 H new ATOM 0 HG2 LYS A 106 0.028 14.613 -25.897 1.00 0.00 H new ATOM 0 HG3 LYS A 106 1.431 13.742 -25.312 1.00 0.00 H new ATOM 0 HD2 LYS A 106 0.323 13.216 -28.082 1.00 0.00 H new ATOM 0 HD3 LYS A 106 1.405 14.563 -27.788 1.00 0.00 H new ATOM 0 HE2 LYS A 106 2.955 12.791 -26.645 1.00 0.00 H new ATOM 0 HE3 LYS A 106 1.963 11.604 -27.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 3.899 12.186 -28.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 2.487 12.673 -29.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 3.448 13.823 -28.786 1.00 0.00 H new ATOM 1673 N ASP A 107 -1.093 13.518 -22.154 1.00 0.00 N ATOM 1674 CA ASP A 107 -0.429 13.906 -20.915 1.00 0.00 C ATOM 1675 C ASP A 107 -0.584 12.821 -19.853 1.00 0.00 C ATOM 1676 O ASP A 107 -1.596 12.121 -19.809 1.00 0.00 O ATOM 1677 CB ASP A 107 -0.998 15.228 -20.398 1.00 0.00 C ATOM 1678 CG ASP A 107 -2.459 15.411 -20.761 1.00 0.00 C ATOM 1679 OD1 ASP A 107 -3.195 14.403 -20.781 1.00 0.00 O ATOM 1680 OD2 ASP A 107 -2.865 16.562 -21.025 1.00 0.00 O ATOM 0 H ASP A 107 -2.112 13.545 -22.113 1.00 0.00 H new ATOM 0 HA ASP A 107 0.633 14.035 -21.126 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.888 15.268 -19.314 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.418 16.055 -20.808 1.00 0.00 H new ATOM 1685 N LYS A 108 0.425 12.688 -18.999 1.00 0.00 N ATOM 1686 CA LYS A 108 0.402 11.689 -17.937 1.00 0.00 C ATOM 1687 C LYS A 108 0.431 12.354 -16.565 1.00 0.00 C ATOM 1688 O LYS A 108 -0.213 11.889 -15.625 1.00 0.00 O ATOM 1689 CB LYS A 108 1.591 10.736 -18.079 1.00 0.00 C ATOM 1690 CG LYS A 108 2.937 11.440 -18.092 1.00 0.00 C ATOM 1691 CD LYS A 108 3.507 11.579 -16.691 1.00 0.00 C ATOM 1692 CE LYS A 108 4.327 10.359 -16.299 1.00 0.00 C ATOM 1693 NZ LYS A 108 5.419 10.707 -15.349 1.00 0.00 N ATOM 0 H LYS A 108 1.269 13.260 -19.022 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.524 11.121 -18.027 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.573 10.021 -17.257 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.480 10.165 -19.001 1.00 0.00 H new ATOM 0 HG2 LYS A 108 3.635 10.881 -18.716 1.00 0.00 H new ATOM 0 HG3 LYS A 108 2.828 12.427 -18.541 1.00 0.00 H new ATOM 0 HD2 LYS A 108 4.132 12.471 -16.638 1.00 0.00 H new ATOM 0 HD3 LYS A 108 2.694 11.716 -15.978 1.00 0.00 H new ATOM 0 HE2 LYS A 108 3.674 9.613 -15.845 1.00 0.00 H new ATOM 0 HE3 LYS A 108 4.754 9.906 -17.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 5.546 9.932 -14.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 6.304 10.853 -15.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 5.171 11.579 -14.840 1.00 0.00 H new ATOM 1707 N GLY A 109 1.181 13.447 -16.457 1.00 0.00 N ATOM 1708 CA GLY A 109 1.278 14.158 -15.196 1.00 0.00 C ATOM 1709 C GLY A 109 1.189 13.232 -13.999 1.00 0.00 C ATOM 1710 O GLY A 109 0.104 13.004 -13.461 1.00 0.00 O ATOM 0 H GLY A 109 1.723 13.852 -17.220 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.222 14.702 -15.161 1.00 0.00 H new ATOM 0 HA3 GLY A 109 0.481 14.899 -15.138 1.00 0.00 H new ATOM 1714 N LEU A 110 2.330 12.696 -13.581 1.00 0.00 N ATOM 1715 CA LEU A 110 2.377 11.788 -12.441 1.00 0.00 C ATOM 1716 C LEU A 110 3.234 12.365 -11.319 1.00 0.00 C ATOM 1717 O LEU A 110 4.438 12.566 -11.484 1.00 0.00 O ATOM 1718 CB LEU A 110 2.927 10.427 -12.870 1.00 0.00 C ATOM 1719 CG LEU A 110 3.397 9.507 -11.743 1.00 0.00 C ATOM 1720 CD1 LEU A 110 2.207 8.854 -11.056 1.00 0.00 C ATOM 1721 CD2 LEU A 110 4.351 8.450 -12.279 1.00 0.00 C ATOM 0 H LEU A 110 3.236 12.875 -14.015 1.00 0.00 H new ATOM 0 HA LEU A 110 1.361 11.661 -12.068 1.00 0.00 H new ATOM 0 HB2 LEU A 110 2.154 9.908 -13.437 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.763 10.593 -13.549 1.00 0.00 H new ATOM 0 HG LEU A 110 3.930 10.109 -11.007 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.561 8.203 -10.257 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.561 9.625 -10.637 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.646 8.266 -11.782 1.00 0.00 H new ATOM 0 HD21 LEU A 110 4.675 7.805 -11.463 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.843 7.851 -13.035 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.219 8.936 -12.724 1.00 0.00 H new ATOM 1733 N LEU A 111 2.607 12.628 -10.178 1.00 0.00 N ATOM 1734 CA LEU A 111 3.313 13.180 -9.027 1.00 0.00 C ATOM 1735 C LEU A 111 4.403 12.227 -8.548 1.00 0.00 C ATOM 1736 O LEU A 111 5.551 12.626 -8.358 1.00 0.00 O ATOM 1737 CB LEU A 111 2.331 13.463 -7.889 1.00 0.00 C ATOM 1738 CG LEU A 111 1.129 14.340 -8.242 1.00 0.00 C ATOM 1739 CD1 LEU A 111 0.249 14.556 -7.021 1.00 0.00 C ATOM 1740 CD2 LEU A 111 1.590 15.673 -8.812 1.00 0.00 C ATOM 0 H LEU A 111 1.611 12.468 -10.025 1.00 0.00 H new ATOM 0 HA LEU A 111 3.783 14.114 -9.334 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.961 12.510 -7.510 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.877 13.940 -7.075 1.00 0.00 H new ATOM 0 HG LEU A 111 0.540 13.827 -9.002 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.601 15.182 -7.291 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.111 13.594 -6.657 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.827 15.047 -6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.721 16.284 -9.057 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.202 16.192 -8.074 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.178 15.500 -9.713 1.00 0.00 H new ATOM 1752 N GLY A 112 4.035 10.964 -8.357 1.00 0.00 N ATOM 1753 CA GLY A 112 4.994 9.973 -7.904 1.00 0.00 C ATOM 1754 C GLY A 112 4.400 8.579 -7.838 1.00 0.00 C ATOM 1755 O GLY A 112 3.275 8.397 -7.374 1.00 0.00 O ATOM 0 H GLY A 112 3.091 10.609 -8.508 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.852 9.968 -8.577 1.00 0.00 H new ATOM 0 HA3 GLY A 112 5.364 10.254 -6.918 1.00 0.00 H new ATOM 1759 N LYS A 113 5.158 7.593 -8.306 1.00 0.00 N ATOM 1760 CA LYS A 113 4.701 6.208 -8.299 1.00 0.00 C ATOM 1761 C LYS A 113 5.743 5.294 -7.662 1.00 0.00 C ATOM 1762 O LYS A 113 6.943 5.563 -7.730 1.00 0.00 O ATOM 1763 CB LYS A 113 4.402 5.741 -9.725 1.00 0.00 C ATOM 1764 CG LYS A 113 5.625 5.711 -10.625 1.00 0.00 C ATOM 1765 CD LYS A 113 5.294 5.154 -11.999 1.00 0.00 C ATOM 1766 CE LYS A 113 5.476 3.644 -12.047 1.00 0.00 C ATOM 1767 NZ LYS A 113 5.151 3.089 -13.390 1.00 0.00 N ATOM 0 H LYS A 113 6.091 7.727 -8.695 1.00 0.00 H new ATOM 0 HA LYS A 113 3.787 6.156 -7.707 1.00 0.00 H new ATOM 0 HB2 LYS A 113 3.965 4.743 -9.687 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.654 6.401 -10.165 1.00 0.00 H new ATOM 0 HG2 LYS A 113 6.027 6.719 -10.727 1.00 0.00 H new ATOM 0 HG3 LYS A 113 6.403 5.103 -10.163 1.00 0.00 H new ATOM 0 HD2 LYS A 113 4.265 5.406 -12.257 1.00 0.00 H new ATOM 0 HD3 LYS A 113 5.934 5.623 -12.747 1.00 0.00 H new ATOM 0 HE2 LYS A 113 6.505 3.394 -11.790 1.00 0.00 H new ATOM 0 HE3 LYS A 113 4.838 3.177 -11.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 5.287 2.058 -13.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 4.161 3.305 -13.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 5.777 3.515 -14.103 1.00 0.00 H new ATOM 1781 N VAL A 114 5.277 4.213 -7.044 1.00 0.00 N ATOM 1782 CA VAL A 114 6.169 3.259 -6.398 1.00 0.00 C ATOM 1783 C VAL A 114 5.683 1.828 -6.599 1.00 0.00 C ATOM 1784 O VAL A 114 4.582 1.470 -6.179 1.00 0.00 O ATOM 1785 CB VAL A 114 6.293 3.539 -4.888 1.00 0.00 C ATOM 1786 CG1 VAL A 114 4.957 3.320 -4.193 1.00 0.00 C ATOM 1787 CG2 VAL A 114 7.374 2.665 -4.271 1.00 0.00 C ATOM 0 H VAL A 114 4.287 3.977 -6.978 1.00 0.00 H new ATOM 0 HA VAL A 114 7.147 3.377 -6.864 1.00 0.00 H new ATOM 0 HB VAL A 114 6.580 4.582 -4.752 1.00 0.00 H new ATOM 0 HG11 VAL A 114 5.064 3.522 -3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 114 4.212 3.993 -4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 114 4.637 2.288 -4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 114 7.448 2.876 -3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 114 7.120 1.615 -4.416 1.00 0.00 H new ATOM 0 HG23 VAL A 114 8.330 2.877 -4.750 1.00 0.00 H new ATOM 1797 N LEU A 115 6.510 1.013 -7.245 1.00 0.00 N ATOM 1798 CA LEU A 115 6.164 -0.380 -7.503 1.00 0.00 C ATOM 1799 C LEU A 115 6.499 -1.256 -6.300 1.00 0.00 C ATOM 1800 O LEU A 115 7.440 -0.975 -5.557 1.00 0.00 O ATOM 1801 CB LEU A 115 6.906 -0.889 -8.741 1.00 0.00 C ATOM 1802 CG LEU A 115 6.326 -0.467 -10.091 1.00 0.00 C ATOM 1803 CD1 LEU A 115 4.958 -1.095 -10.305 1.00 0.00 C ATOM 1804 CD2 LEU A 115 6.240 1.050 -10.183 1.00 0.00 C ATOM 0 H LEU A 115 7.425 1.293 -7.599 1.00 0.00 H new ATOM 0 HA LEU A 115 5.090 -0.435 -7.682 1.00 0.00 H new ATOM 0 HB2 LEU A 115 7.939 -0.545 -8.688 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.931 -1.978 -8.703 1.00 0.00 H new ATOM 0 HG LEU A 115 6.992 -0.822 -10.878 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.561 -0.783 -11.271 1.00 0.00 H new ATOM 0 HD12 LEU A 115 5.049 -2.181 -10.284 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.282 -0.772 -9.514 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.825 1.333 -11.150 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.597 1.427 -9.388 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.237 1.478 -10.077 1.00 0.00 H new ATOM 1816 N VAL A 116 5.724 -2.319 -6.114 1.00 0.00 N ATOM 1817 CA VAL A 116 5.940 -3.238 -5.003 1.00 0.00 C ATOM 1818 C VAL A 116 5.931 -4.687 -5.478 1.00 0.00 C ATOM 1819 O VAL A 116 4.882 -5.234 -5.816 1.00 0.00 O ATOM 1820 CB VAL A 116 4.868 -3.061 -3.911 1.00 0.00 C ATOM 1821 CG1 VAL A 116 4.938 -4.199 -2.904 1.00 0.00 C ATOM 1822 CG2 VAL A 116 5.028 -1.716 -3.221 1.00 0.00 C ATOM 0 H VAL A 116 4.940 -2.565 -6.719 1.00 0.00 H new ATOM 0 HA VAL A 116 6.918 -3.002 -4.583 1.00 0.00 H new ATOM 0 HB VAL A 116 3.886 -3.086 -4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.173 -4.057 -2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.769 -5.147 -3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 116 5.922 -4.210 -2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.262 -1.608 -2.453 1.00 0.00 H new ATOM 0 HG22 VAL A 116 6.015 -1.658 -2.761 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.922 -0.916 -3.954 1.00 0.00 H new ATOM 1832 N ALA A 117 7.108 -5.303 -5.502 1.00 0.00 N ATOM 1833 CA ALA A 117 7.236 -6.690 -5.933 1.00 0.00 C ATOM 1834 C ALA A 117 6.461 -7.625 -5.012 1.00 0.00 C ATOM 1835 O ALA A 117 6.921 -7.959 -3.919 1.00 0.00 O ATOM 1836 CB ALA A 117 8.702 -7.093 -5.986 1.00 0.00 C ATOM 0 H ALA A 117 7.987 -4.864 -5.228 1.00 0.00 H new ATOM 0 HA ALA A 117 6.811 -6.774 -6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 117 8.783 -8.131 -6.309 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.230 -6.451 -6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 117 9.145 -6.986 -4.996 1.00 0.00 H new ATOM 1842 N LEU A 118 5.282 -8.045 -5.459 1.00 0.00 N ATOM 1843 CA LEU A 118 4.442 -8.942 -4.673 1.00 0.00 C ATOM 1844 C LEU A 118 5.109 -10.303 -4.503 1.00 0.00 C ATOM 1845 O LEU A 118 4.630 -11.151 -3.751 1.00 0.00 O ATOM 1846 CB LEU A 118 3.077 -9.110 -5.343 1.00 0.00 C ATOM 1847 CG LEU A 118 2.327 -7.819 -5.672 1.00 0.00 C ATOM 1848 CD1 LEU A 118 0.963 -8.131 -6.268 1.00 0.00 C ATOM 1849 CD2 LEU A 118 2.182 -6.955 -4.428 1.00 0.00 C ATOM 0 H LEU A 118 4.887 -7.779 -6.361 1.00 0.00 H new ATOM 0 HA LEU A 118 4.304 -8.500 -3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 118 3.215 -9.672 -6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.447 -9.716 -4.692 1.00 0.00 H new ATOM 0 HG LEU A 118 2.905 -7.264 -6.411 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.444 -7.200 -6.496 1.00 0.00 H new ATOM 0 HD12 LEU A 118 1.090 -8.709 -7.183 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.377 -8.708 -5.553 1.00 0.00 H new ATOM 0 HD21 LEU A 118 1.646 -6.040 -4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.626 -7.503 -3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.170 -6.702 -4.044 1.00 0.00 H new ATOM 1861 N ALA A 119 6.219 -10.505 -5.206 1.00 0.00 N ATOM 1862 CA ALA A 119 6.954 -11.761 -5.130 1.00 0.00 C ATOM 1863 C ALA A 119 7.877 -11.784 -3.916 1.00 0.00 C ATOM 1864 O ALA A 119 8.989 -12.308 -3.980 1.00 0.00 O ATOM 1865 CB ALA A 119 7.752 -11.984 -6.406 1.00 0.00 C ATOM 0 H ALA A 119 6.629 -9.814 -5.835 1.00 0.00 H new ATOM 0 HA ALA A 119 6.232 -12.570 -5.020 1.00 0.00 H new ATOM 0 HB1 ALA A 119 8.296 -12.926 -6.335 1.00 0.00 H new ATOM 0 HB2 ALA A 119 7.073 -12.020 -7.258 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.459 -11.166 -6.540 1.00 0.00 H new ATOM 1871 N SER A 120 7.409 -11.211 -2.812 1.00 0.00 N ATOM 1872 CA SER A 120 8.195 -11.162 -1.584 1.00 0.00 C ATOM 1873 C SER A 120 8.137 -12.497 -0.849 1.00 0.00 C ATOM 1874 O SER A 120 8.801 -12.685 0.170 1.00 0.00 O ATOM 1875 CB SER A 120 7.687 -10.043 -0.673 1.00 0.00 C ATOM 1876 OG SER A 120 8.245 -8.793 -1.041 1.00 0.00 O ATOM 0 H SER A 120 6.490 -10.774 -2.742 1.00 0.00 H new ATOM 0 HA SER A 120 9.232 -10.960 -1.853 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.600 -9.990 -0.729 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.943 -10.268 0.362 1.00 0.00 H new ATOM 0 HG SER A 120 7.873 -8.509 -1.902 1.00 0.00 H new ATOM 1882 N GLU A 121 7.338 -13.421 -1.374 1.00 0.00 N ATOM 1883 CA GLU A 121 7.193 -14.739 -0.767 1.00 0.00 C ATOM 1884 C GLU A 121 6.941 -14.622 0.734 1.00 0.00 C ATOM 1885 O GLU A 121 7.245 -15.538 1.497 1.00 0.00 O ATOM 1886 CB GLU A 121 8.444 -15.582 -1.021 1.00 0.00 C ATOM 1887 CG GLU A 121 8.271 -17.050 -0.666 1.00 0.00 C ATOM 1888 CD GLU A 121 9.356 -17.926 -1.262 1.00 0.00 C ATOM 1889 OE1 GLU A 121 9.506 -17.924 -2.502 1.00 0.00 O ATOM 1890 OE2 GLU A 121 10.054 -18.613 -0.488 1.00 0.00 O ATOM 0 H GLU A 121 6.782 -13.281 -2.217 1.00 0.00 H new ATOM 0 HA GLU A 121 6.334 -15.229 -1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.719 -15.501 -2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.272 -15.172 -0.442 1.00 0.00 H new ATOM 0 HG2 GLU A 121 8.275 -17.161 0.418 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.298 -17.393 -1.018 1.00 0.00 H new ATOM 1897 N GLU A 122 6.385 -13.488 1.148 1.00 0.00 N ATOM 1898 CA GLU A 122 6.094 -13.250 2.557 1.00 0.00 C ATOM 1899 C GLU A 122 4.687 -12.686 2.735 1.00 0.00 C ATOM 1900 O GLU A 122 4.273 -12.361 3.848 1.00 0.00 O ATOM 1901 CB GLU A 122 7.121 -12.288 3.158 1.00 0.00 C ATOM 1902 CG GLU A 122 8.514 -12.882 3.278 1.00 0.00 C ATOM 1903 CD GLU A 122 9.295 -12.307 4.444 1.00 0.00 C ATOM 1904 OE1 GLU A 122 8.689 -12.094 5.515 1.00 0.00 O ATOM 1905 OE2 GLU A 122 10.511 -12.071 4.286 1.00 0.00 O ATOM 0 H GLU A 122 6.127 -12.720 0.528 1.00 0.00 H new ATOM 0 HA GLU A 122 6.152 -14.205 3.079 1.00 0.00 H new ATOM 0 HB2 GLU A 122 7.170 -11.390 2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 122 6.781 -11.978 4.146 1.00 0.00 H new ATOM 0 HG2 GLU A 122 8.435 -13.963 3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 122 9.063 -12.702 2.354 1.00 0.00 H new ATOM 1912 N LEU A 123 3.958 -12.573 1.630 1.00 0.00 N ATOM 1913 CA LEU A 123 2.597 -12.048 1.662 1.00 0.00 C ATOM 1914 C LEU A 123 1.719 -12.869 2.600 1.00 0.00 C ATOM 1915 O LEU A 123 0.616 -12.454 2.956 1.00 0.00 O ATOM 1916 CB LEU A 123 1.998 -12.045 0.255 1.00 0.00 C ATOM 1917 CG LEU A 123 2.609 -11.050 -0.733 1.00 0.00 C ATOM 1918 CD1 LEU A 123 2.517 -11.585 -2.154 1.00 0.00 C ATOM 1919 CD2 LEU A 123 1.919 -9.698 -0.624 1.00 0.00 C ATOM 0 H LEU A 123 4.286 -12.838 0.701 1.00 0.00 H new ATOM 0 HA LEU A 123 2.637 -11.025 2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.096 -13.047 -0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.931 -11.837 0.336 1.00 0.00 H new ATOM 0 HG LEU A 123 3.662 -10.919 -0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.956 -10.864 -2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 123 3.057 -12.529 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.471 -11.746 -2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 123 2.367 -9.003 -1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 123 0.858 -9.812 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 123 2.037 -9.310 0.388 1.00 0.00 H new ATOM 1931 N ALA A 124 2.215 -14.036 2.997 1.00 0.00 N ATOM 1932 CA ALA A 124 1.477 -14.914 3.897 1.00 0.00 C ATOM 1933 C ALA A 124 1.374 -14.307 5.293 1.00 0.00 C ATOM 1934 O ALA A 124 0.471 -14.641 6.061 1.00 0.00 O ATOM 1935 CB ALA A 124 2.140 -16.282 3.962 1.00 0.00 C ATOM 0 H ALA A 124 3.125 -14.396 2.710 1.00 0.00 H new ATOM 0 HA ALA A 124 0.467 -15.031 3.504 1.00 0.00 H new ATOM 0 HB1 ALA A 124 1.578 -16.927 4.638 1.00 0.00 H new ATOM 0 HB2 ALA A 124 2.157 -16.726 2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 124 3.161 -16.174 4.328 1.00 0.00 H new ATOM 1941 N LYS A 125 2.305 -13.416 5.616 1.00 0.00 N ATOM 1942 CA LYS A 125 2.319 -12.762 6.919 1.00 0.00 C ATOM 1943 C LYS A 125 1.778 -11.339 6.820 1.00 0.00 C ATOM 1944 O LYS A 125 0.955 -10.919 7.632 1.00 0.00 O ATOM 1945 CB LYS A 125 3.740 -12.740 7.486 1.00 0.00 C ATOM 1946 CG LYS A 125 4.239 -14.104 7.930 1.00 0.00 C ATOM 1947 CD LYS A 125 4.945 -14.834 6.800 1.00 0.00 C ATOM 1948 CE LYS A 125 6.427 -14.495 6.758 1.00 0.00 C ATOM 1949 NZ LYS A 125 7.125 -15.195 5.644 1.00 0.00 N ATOM 0 H LYS A 125 3.060 -13.130 4.993 1.00 0.00 H new ATOM 0 HA LYS A 125 1.675 -13.331 7.590 1.00 0.00 H new ATOM 0 HB2 LYS A 125 4.418 -12.343 6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 125 3.773 -12.056 8.334 1.00 0.00 H new ATOM 0 HG2 LYS A 125 4.922 -13.986 8.771 1.00 0.00 H new ATOM 0 HG3 LYS A 125 3.399 -14.703 8.283 1.00 0.00 H new ATOM 0 HD2 LYS A 125 4.820 -15.909 6.926 1.00 0.00 H new ATOM 0 HD3 LYS A 125 4.483 -14.569 5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 125 6.550 -13.418 6.644 1.00 0.00 H new ATOM 0 HE3 LYS A 125 6.889 -14.770 7.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 7.945 -14.632 5.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 7.448 -16.129 5.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 6.471 -15.314 4.845 1.00 0.00 H new ATOM 1963 N GLY A 126 2.245 -10.602 5.817 1.00 0.00 N ATOM 1964 CA GLY A 126 1.795 -9.235 5.629 1.00 0.00 C ATOM 1965 C GLY A 126 2.727 -8.225 6.269 1.00 0.00 C ATOM 1966 O GLY A 126 3.257 -8.461 7.355 1.00 0.00 O ATOM 0 H GLY A 126 2.927 -10.927 5.131 1.00 0.00 H new ATOM 0 HA2 GLY A 126 1.714 -9.026 4.562 1.00 0.00 H new ATOM 0 HA3 GLY A 126 0.797 -9.123 6.052 1.00 0.00 H new ATOM 1970 N TRP A 127 2.929 -7.099 5.595 1.00 0.00 N ATOM 1971 CA TRP A 127 3.805 -6.050 6.105 1.00 0.00 C ATOM 1972 C TRP A 127 3.224 -4.669 5.821 1.00 0.00 C ATOM 1973 O TRP A 127 2.425 -4.498 4.900 1.00 0.00 O ATOM 1974 CB TRP A 127 5.196 -6.170 5.479 1.00 0.00 C ATOM 1975 CG TRP A 127 5.232 -5.779 4.032 1.00 0.00 C ATOM 1976 CD1 TRP A 127 5.503 -4.541 3.524 1.00 0.00 C ATOM 1977 CD2 TRP A 127 4.986 -6.631 2.908 1.00 0.00 C ATOM 1978 NE1 TRP A 127 5.441 -4.572 2.152 1.00 0.00 N ATOM 1979 CE2 TRP A 127 5.127 -5.843 1.749 1.00 0.00 C ATOM 1980 CE3 TRP A 127 4.664 -7.984 2.767 1.00 0.00 C ATOM 1981 CZ2 TRP A 127 4.954 -6.363 0.470 1.00 0.00 C ATOM 1982 CZ3 TRP A 127 4.493 -8.499 1.496 1.00 0.00 C ATOM 1983 CH2 TRP A 127 4.638 -7.690 0.361 1.00 0.00 C ATOM 0 H TRP A 127 2.499 -6.889 4.695 1.00 0.00 H new ATOM 0 HA TRP A 127 3.888 -6.173 7.185 1.00 0.00 H new ATOM 0 HB2 TRP A 127 5.892 -5.542 6.035 1.00 0.00 H new ATOM 0 HB3 TRP A 127 5.544 -7.198 5.579 1.00 0.00 H new ATOM 0 HD1 TRP A 127 5.732 -3.666 4.114 1.00 0.00 H new ATOM 0 HE1 TRP A 127 5.603 -3.777 1.533 1.00 0.00 H new ATOM 0 HE3 TRP A 127 4.551 -8.616 3.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 5.065 -5.741 -0.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 4.243 -9.543 1.375 1.00 0.00 H new ATOM 0 HH2 TRP A 127 4.498 -8.122 -0.619 1.00 0.00 H new ATOM 1994 N THR A 128 3.630 -3.686 6.618 1.00 0.00 N ATOM 1995 CA THR A 128 3.149 -2.320 6.453 1.00 0.00 C ATOM 1996 C THR A 128 4.305 -1.326 6.451 1.00 0.00 C ATOM 1997 O THR A 128 4.966 -1.129 7.469 1.00 0.00 O ATOM 1998 CB THR A 128 2.157 -1.935 7.567 1.00 0.00 C ATOM 1999 OG1 THR A 128 1.004 -2.782 7.510 1.00 0.00 O ATOM 2000 CG2 THR A 128 1.732 -0.481 7.434 1.00 0.00 C ATOM 0 H THR A 128 4.291 -3.810 7.385 1.00 0.00 H new ATOM 0 HA THR A 128 2.637 -2.279 5.491 1.00 0.00 H new ATOM 0 HB THR A 128 2.655 -2.065 8.528 1.00 0.00 H new ATOM 0 HG1 THR A 128 0.379 -2.532 8.222 1.00 0.00 H new ATOM 0 HG21 THR A 128 1.032 -0.232 8.231 1.00 0.00 H new ATOM 0 HG22 THR A 128 2.609 0.162 7.507 1.00 0.00 H new ATOM 0 HG23 THR A 128 1.251 -0.330 6.468 1.00 0.00 H new ATOM 2008 N GLN A 129 4.541 -0.702 5.301 1.00 0.00 N ATOM 2009 CA GLN A 129 5.618 0.272 5.168 1.00 0.00 C ATOM 2010 C GLN A 129 5.200 1.425 4.263 1.00 0.00 C ATOM 2011 O GLN A 129 4.225 1.321 3.519 1.00 0.00 O ATOM 2012 CB GLN A 129 6.875 -0.399 4.612 1.00 0.00 C ATOM 2013 CG GLN A 129 6.847 -0.588 3.104 1.00 0.00 C ATOM 2014 CD GLN A 129 8.206 -0.943 2.534 1.00 0.00 C ATOM 2015 OE1 GLN A 129 8.471 -2.099 2.204 1.00 0.00 O ATOM 2016 NE2 GLN A 129 9.078 0.052 2.416 1.00 0.00 N ATOM 0 H GLN A 129 4.001 -0.854 4.449 1.00 0.00 H new ATOM 0 HA GLN A 129 5.836 0.672 6.158 1.00 0.00 H new ATOM 0 HB2 GLN A 129 7.745 0.201 4.879 1.00 0.00 H new ATOM 0 HB3 GLN A 129 6.999 -1.371 5.089 1.00 0.00 H new ATOM 0 HG2 GLN A 129 6.136 -1.375 2.854 1.00 0.00 H new ATOM 0 HG3 GLN A 129 6.488 0.327 2.634 1.00 0.00 H new ATOM 0 HE21 GLN A 129 8.817 0.996 2.702 1.00 0.00 H new ATOM 0 HE22 GLN A 129 10.009 -0.128 2.040 1.00 0.00 H new ATOM 2025 N TRP A 130 5.943 2.524 4.332 1.00 0.00 N ATOM 2026 CA TRP A 130 5.648 3.698 3.518 1.00 0.00 C ATOM 2027 C TRP A 130 6.445 3.674 2.219 1.00 0.00 C ATOM 2028 O TRP A 130 7.620 4.042 2.193 1.00 0.00 O ATOM 2029 CB TRP A 130 5.960 4.976 4.299 1.00 0.00 C ATOM 2030 CG TRP A 130 4.862 5.383 5.235 1.00 0.00 C ATOM 2031 CD1 TRP A 130 4.644 4.910 6.497 1.00 0.00 C ATOM 2032 CD2 TRP A 130 3.833 6.345 4.981 1.00 0.00 C ATOM 2033 NE1 TRP A 130 3.541 5.520 7.044 1.00 0.00 N ATOM 2034 CE2 TRP A 130 3.026 6.405 6.134 1.00 0.00 C ATOM 2035 CE3 TRP A 130 3.516 7.164 3.894 1.00 0.00 C ATOM 2036 CZ2 TRP A 130 1.923 7.250 6.227 1.00 0.00 C ATOM 2037 CZ3 TRP A 130 2.420 8.001 3.988 1.00 0.00 C ATOM 2038 CH2 TRP A 130 1.635 8.040 5.147 1.00 0.00 C ATOM 0 H TRP A 130 6.754 2.627 4.943 1.00 0.00 H new ATOM 0 HA TRP A 130 4.587 3.681 3.271 1.00 0.00 H new ATOM 0 HB2 TRP A 130 6.878 4.830 4.869 1.00 0.00 H new ATOM 0 HB3 TRP A 130 6.147 5.787 3.595 1.00 0.00 H new ATOM 0 HD1 TRP A 130 5.250 4.166 6.993 1.00 0.00 H new ATOM 0 HE1 TRP A 130 3.167 5.343 7.976 1.00 0.00 H new ATOM 0 HE3 TRP A 130 4.117 7.143 2.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 1.316 7.281 7.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 2.165 8.636 3.153 1.00 0.00 H new ATOM 0 HH2 TRP A 130 0.786 8.706 5.189 1.00 0.00 H new ATOM 2049 N TYR A 131 5.800 3.239 1.142 1.00 0.00 N ATOM 2050 CA TYR A 131 6.451 3.165 -0.160 1.00 0.00 C ATOM 2051 C TYR A 131 6.740 4.561 -0.705 1.00 0.00 C ATOM 2052 O TYR A 131 5.836 5.262 -1.159 1.00 0.00 O ATOM 2053 CB TYR A 131 5.575 2.392 -1.148 1.00 0.00 C ATOM 2054 CG TYR A 131 5.198 1.008 -0.668 1.00 0.00 C ATOM 2055 CD1 TYR A 131 6.126 0.197 -0.027 1.00 0.00 C ATOM 2056 CD2 TYR A 131 3.913 0.513 -0.855 1.00 0.00 C ATOM 2057 CE1 TYR A 131 5.786 -1.068 0.413 1.00 0.00 C ATOM 2058 CE2 TYR A 131 3.564 -0.750 -0.417 1.00 0.00 C ATOM 2059 CZ TYR A 131 4.503 -1.536 0.215 1.00 0.00 C ATOM 2060 OH TYR A 131 4.160 -2.795 0.653 1.00 0.00 O ATOM 0 H TYR A 131 4.827 2.932 1.145 1.00 0.00 H new ATOM 0 HA TYR A 131 7.398 2.640 -0.035 1.00 0.00 H new ATOM 0 HB2 TYR A 131 4.666 2.962 -1.338 1.00 0.00 H new ATOM 0 HB3 TYR A 131 6.102 2.307 -2.098 1.00 0.00 H new ATOM 0 HD1 TYR A 131 7.130 0.561 0.130 1.00 0.00 H new ATOM 0 HD2 TYR A 131 3.175 1.126 -1.351 1.00 0.00 H new ATOM 0 HE1 TYR A 131 6.520 -1.686 0.909 1.00 0.00 H new ATOM 0 HE2 TYR A 131 2.561 -1.119 -0.569 1.00 0.00 H new ATOM 0 HH TYR A 131 3.209 -2.812 0.888 1.00 0.00 H new ATOM 2070 N ASP A 132 8.007 4.956 -0.656 1.00 0.00 N ATOM 2071 CA ASP A 132 8.418 6.267 -1.146 1.00 0.00 C ATOM 2072 C ASP A 132 8.257 6.357 -2.660 1.00 0.00 C ATOM 2073 O ASP A 132 8.822 5.553 -3.404 1.00 0.00 O ATOM 2074 CB ASP A 132 9.871 6.548 -0.757 1.00 0.00 C ATOM 2075 CG ASP A 132 10.806 5.426 -1.164 1.00 0.00 C ATOM 2076 OD1 ASP A 132 10.889 4.425 -0.421 1.00 0.00 O ATOM 2077 OD2 ASP A 132 11.455 5.548 -2.223 1.00 0.00 O ATOM 0 H ASP A 132 8.767 4.388 -0.282 1.00 0.00 H new ATOM 0 HA ASP A 132 7.775 7.017 -0.686 1.00 0.00 H new ATOM 0 HB2 ASP A 132 10.197 7.477 -1.226 1.00 0.00 H new ATOM 0 HB3 ASP A 132 9.933 6.696 0.321 1.00 0.00 H new ATOM 2082 N LEU A 133 7.483 7.338 -3.111 1.00 0.00 N ATOM 2083 CA LEU A 133 7.247 7.532 -4.537 1.00 0.00 C ATOM 2084 C LEU A 133 8.537 7.911 -5.256 1.00 0.00 C ATOM 2085 O LEU A 133 9.423 8.541 -4.676 1.00 0.00 O ATOM 2086 CB LEU A 133 6.190 8.616 -4.756 1.00 0.00 C ATOM 2087 CG LEU A 133 4.816 8.349 -4.139 1.00 0.00 C ATOM 2088 CD1 LEU A 133 3.957 9.603 -4.186 1.00 0.00 C ATOM 2089 CD2 LEU A 133 4.125 7.199 -4.857 1.00 0.00 C ATOM 0 H LEU A 133 7.008 8.011 -2.510 1.00 0.00 H new ATOM 0 HA LEU A 133 6.885 6.591 -4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 133 6.571 9.554 -4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.063 8.759 -5.829 1.00 0.00 H new ATOM 0 HG LEU A 133 4.955 8.069 -3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 133 2.983 9.394 -3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.446 10.400 -3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 133 3.825 9.915 -5.222 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.149 7.022 -4.405 1.00 0.00 H new ATOM 0 HD22 LEU A 133 3.998 7.451 -5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 133 4.733 6.298 -4.771 1.00 0.00 H new ATOM 2101 N THR A 134 8.637 7.526 -6.525 1.00 0.00 N ATOM 2102 CA THR A 134 9.818 7.826 -7.324 1.00 0.00 C ATOM 2103 C THR A 134 9.438 8.159 -8.762 1.00 0.00 C ATOM 2104 O THR A 134 8.296 7.959 -9.174 1.00 0.00 O ATOM 2105 CB THR A 134 10.809 6.646 -7.327 1.00 0.00 C ATOM 2106 OG1 THR A 134 10.199 5.496 -7.924 1.00 0.00 O ATOM 2107 CG2 THR A 134 11.257 6.312 -5.912 1.00 0.00 C ATOM 0 H THR A 134 7.914 7.006 -7.021 1.00 0.00 H new ATOM 0 HA THR A 134 10.297 8.692 -6.867 1.00 0.00 H new ATOM 0 HB THR A 134 11.684 6.936 -7.909 1.00 0.00 H new ATOM 0 HG1 THR A 134 10.835 4.751 -7.924 1.00 0.00 H new ATOM 0 HG21 THR A 134 11.956 5.476 -5.939 1.00 0.00 H new ATOM 0 HG22 THR A 134 11.747 7.180 -5.471 1.00 0.00 H new ATOM 0 HG23 THR A 134 10.390 6.040 -5.310 1.00 0.00 H new ATOM 2115 N GLU A 135 10.404 8.668 -9.522 1.00 0.00 N ATOM 2116 CA GLU A 135 10.169 9.029 -10.915 1.00 0.00 C ATOM 2117 C GLU A 135 9.908 7.787 -11.762 1.00 0.00 C ATOM 2118 O GLU A 135 10.323 6.683 -11.408 1.00 0.00 O ATOM 2119 CB GLU A 135 11.366 9.800 -11.474 1.00 0.00 C ATOM 2120 CG GLU A 135 11.631 11.115 -10.761 1.00 0.00 C ATOM 2121 CD GLU A 135 12.589 12.010 -11.523 1.00 0.00 C ATOM 2122 OE1 GLU A 135 12.150 12.653 -12.499 1.00 0.00 O ATOM 2123 OE2 GLU A 135 13.777 12.066 -11.143 1.00 0.00 O ATOM 0 H GLU A 135 11.355 8.839 -9.196 1.00 0.00 H new ATOM 0 HA GLU A 135 9.286 9.666 -10.955 1.00 0.00 H new ATOM 0 HB2 GLU A 135 12.255 9.173 -11.405 1.00 0.00 H new ATOM 0 HB3 GLU A 135 11.197 9.998 -12.533 1.00 0.00 H new ATOM 0 HG2 GLU A 135 10.688 11.641 -10.614 1.00 0.00 H new ATOM 0 HG3 GLU A 135 12.040 10.911 -9.771 1.00 0.00 H new ATOM 2130 N ASP A 136 9.219 7.976 -12.882 1.00 0.00 N ATOM 2131 CA ASP A 136 8.903 6.872 -13.781 1.00 0.00 C ATOM 2132 C ASP A 136 10.107 6.514 -14.646 1.00 0.00 C ATOM 2133 O ASP A 136 10.443 5.341 -14.805 1.00 0.00 O ATOM 2134 CB ASP A 136 7.710 7.234 -14.668 1.00 0.00 C ATOM 2135 CG ASP A 136 8.011 8.395 -15.596 1.00 0.00 C ATOM 2136 OD1 ASP A 136 8.418 9.464 -15.095 1.00 0.00 O ATOM 2137 OD2 ASP A 136 7.838 8.234 -16.822 1.00 0.00 O ATOM 0 H ASP A 136 8.869 8.883 -13.189 1.00 0.00 H new ATOM 0 HA ASP A 136 8.644 6.004 -13.174 1.00 0.00 H new ATOM 0 HB2 ASP A 136 7.423 6.364 -15.259 1.00 0.00 H new ATOM 0 HB3 ASP A 136 6.857 7.487 -14.039 1.00 0.00 H new ATOM 2142 N SER A 137 10.752 7.534 -15.204 1.00 0.00 N ATOM 2143 CA SER A 137 11.916 7.327 -16.058 1.00 0.00 C ATOM 2144 C SER A 137 12.738 6.136 -15.575 1.00 0.00 C ATOM 2145 O SER A 137 13.185 6.099 -14.430 1.00 0.00 O ATOM 2146 CB SER A 137 12.786 8.585 -16.084 1.00 0.00 C ATOM 2147 OG SER A 137 13.849 8.451 -17.011 1.00 0.00 O ATOM 0 H SER A 137 10.488 8.511 -15.080 1.00 0.00 H new ATOM 0 HA SER A 137 11.563 7.118 -17.068 1.00 0.00 H new ATOM 0 HB2 SER A 137 12.175 9.448 -16.349 1.00 0.00 H new ATOM 0 HB3 SER A 137 13.189 8.773 -15.089 1.00 0.00 H new ATOM 0 HG SER A 137 14.389 9.269 -17.010 1.00 0.00 H new ATOM 2153 N GLY A 138 12.935 5.163 -16.460 1.00 0.00 N ATOM 2154 CA GLY A 138 13.703 3.983 -16.107 1.00 0.00 C ATOM 2155 C GLY A 138 14.145 3.194 -17.323 1.00 0.00 C ATOM 2156 O GLY A 138 13.482 2.250 -17.752 1.00 0.00 O ATOM 0 H GLY A 138 12.576 5.171 -17.415 1.00 0.00 H new ATOM 0 HA2 GLY A 138 14.580 4.282 -15.533 1.00 0.00 H new ATOM 0 HA3 GLY A 138 13.103 3.343 -15.461 1.00 0.00 H new ATOM 2160 N PRO A 139 15.292 3.583 -17.900 1.00 0.00 N ATOM 2161 CA PRO A 139 15.847 2.919 -19.083 1.00 0.00 C ATOM 2162 C PRO A 139 16.364 1.518 -18.773 1.00 0.00 C ATOM 2163 O PRO A 139 16.762 1.229 -17.644 1.00 0.00 O ATOM 2164 CB PRO A 139 17.001 3.835 -19.495 1.00 0.00 C ATOM 2165 CG PRO A 139 17.398 4.533 -18.240 1.00 0.00 C ATOM 2166 CD PRO A 139 16.135 4.700 -17.442 1.00 0.00 C ATOM 0 HA PRO A 139 15.097 2.779 -19.861 1.00 0.00 H new ATOM 0 HB2 PRO A 139 17.831 3.263 -19.910 1.00 0.00 H new ATOM 0 HB3 PRO A 139 16.689 4.545 -20.261 1.00 0.00 H new ATOM 0 HG2 PRO A 139 18.135 3.951 -17.687 1.00 0.00 H new ATOM 0 HG3 PRO A 139 17.853 5.499 -18.458 1.00 0.00 H new ATOM 0 HD2 PRO A 139 16.327 4.646 -16.370 1.00 0.00 H new ATOM 0 HD3 PRO A 139 15.663 5.664 -17.633 1.00 0.00 H new ATOM 2174 N SER A 140 16.356 0.652 -19.781 1.00 0.00 N ATOM 2175 CA SER A 140 16.821 -0.720 -19.614 1.00 0.00 C ATOM 2176 C SER A 140 16.273 -1.327 -18.326 1.00 0.00 C ATOM 2177 O SER A 140 16.952 -2.102 -17.653 1.00 0.00 O ATOM 2178 CB SER A 140 18.350 -0.764 -19.601 1.00 0.00 C ATOM 2179 OG SER A 140 18.871 -0.078 -18.476 1.00 0.00 O ATOM 0 H SER A 140 16.033 0.876 -20.722 1.00 0.00 H new ATOM 0 HA SER A 140 16.454 -1.307 -20.456 1.00 0.00 H new ATOM 0 HB2 SER A 140 18.687 -1.801 -19.587 1.00 0.00 H new ATOM 0 HB3 SER A 140 18.738 -0.315 -20.516 1.00 0.00 H new ATOM 0 HG SER A 140 18.140 0.153 -17.866 1.00 0.00 H new ATOM 2185 N SER A 141 15.038 -0.968 -17.989 1.00 0.00 N ATOM 2186 CA SER A 141 14.398 -1.473 -16.780 1.00 0.00 C ATOM 2187 C SER A 141 14.600 -2.980 -16.647 1.00 0.00 C ATOM 2188 O SER A 141 14.953 -3.478 -15.580 1.00 0.00 O ATOM 2189 CB SER A 141 12.903 -1.147 -16.794 1.00 0.00 C ATOM 2190 OG SER A 141 12.280 -1.663 -17.958 1.00 0.00 O ATOM 0 H SER A 141 14.461 -0.329 -18.536 1.00 0.00 H new ATOM 0 HA SER A 141 14.861 -0.984 -15.923 1.00 0.00 H new ATOM 0 HB2 SER A 141 12.428 -1.566 -15.907 1.00 0.00 H new ATOM 0 HB3 SER A 141 12.763 -0.067 -16.751 1.00 0.00 H new ATOM 0 HG SER A 141 11.325 -1.443 -17.943 1.00 0.00 H new ATOM 2196 N GLY A 142 14.373 -3.700 -17.742 1.00 0.00 N ATOM 2197 CA GLY A 142 14.535 -5.142 -17.728 1.00 0.00 C ATOM 2198 C GLY A 142 13.300 -5.859 -17.221 1.00 0.00 C ATOM 2199 O GLY A 142 13.321 -7.071 -17.009 1.00 0.00 O ATOM 0 H GLY A 142 14.080 -3.310 -18.638 1.00 0.00 H new ATOM 0 HA2 GLY A 142 14.765 -5.489 -18.736 1.00 0.00 H new ATOM 0 HA3 GLY A 142 15.387 -5.403 -17.099 1.00 0.00 H new TER 2203 GLY A 142