USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 699 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 Single : A 1 MET CE :methyl -142:sc= 0 (180deg=-0.0418) USER MOD Single : A 1 MET N :NH3+ 154:sc= 0.158 (180deg=0.0177) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0.174 K(o=0.17,f=-1.7!) USER MOD Single : A 8 GLN : amide:sc= -0.203 K(o=-0.2,f=-0.83) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HE2:sc= 0.875 K(o=0.88,f=-4.8!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 155:sc=-0.000683 (180deg=-0.773) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -118:sc= -0.0591 (180deg=-0.568) USER MOD Single : A 23 ASN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.0247 X(o=-0.025,f=-0.0039) USER MOD Single : A 38 ASN : amide:sc= -1.09 K(o=-1.1,f=-3.1) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.956 K(o=-0.96,f=-0.14) USER MOD Single : A 57 SER OG : rot -41:sc= -3.23! USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.292 K(o=-0.29,f=-2.9!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 64 GLN : amide:sc= -5.79! C(o=-5.8!,f=-10!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 170:sc= 0.672 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.729 USER MOD Single : A 74 THR OG1 : rot -69:sc= 0.773 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0658 USER MOD Single : A 77 SER OG : rot -170:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.354 X(o=-0.35,f=-0.83) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 86 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.4) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.284 X(o=-0.28,f=-0.62) USER MOD Single : A 89 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.079) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.619 -16.311 -6.433 1.00 0.00 N ATOM 2 CA MET A 1 16.256 -15.268 -5.440 1.00 0.00 C ATOM 3 C MET A 1 15.193 -14.324 -5.993 1.00 0.00 C ATOM 4 O MET A 1 14.049 -14.326 -5.539 1.00 0.00 O ATOM 5 CB MET A 1 17.518 -14.487 -5.069 1.00 0.00 C ATOM 6 CG MET A 1 18.352 -15.154 -3.987 1.00 0.00 C ATOM 7 SD MET A 1 19.605 -16.262 -4.659 1.00 0.00 S ATOM 8 CE MET A 1 20.838 -15.086 -5.213 1.00 0.00 C ATOM 0 H1 MET A 1 17.587 -16.643 -6.249 1.00 0.00 H new ATOM 0 H2 MET A 1 15.958 -17.110 -6.355 1.00 0.00 H new ATOM 0 H3 MET A 1 16.567 -15.911 -7.392 1.00 0.00 H new ATOM 0 HA MET A 1 15.838 -15.747 -4.555 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.131 -14.359 -5.961 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.232 -13.490 -4.733 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.837 -14.387 -3.383 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.695 -15.715 -3.322 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.274 -15.430 -6.151 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.370 -14.113 -5.365 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.621 -14.998 -4.460 1.00 0.00 H new ATOM 20 N ARG A 2 15.578 -13.521 -6.980 1.00 0.00 N ATOM 21 CA ARG A 2 14.658 -12.573 -7.598 1.00 0.00 C ATOM 22 C ARG A 2 14.477 -12.881 -9.081 1.00 0.00 C ATOM 23 O ARG A 2 14.171 -11.992 -9.878 1.00 0.00 O ATOM 24 CB ARG A 2 15.168 -11.142 -7.419 1.00 0.00 C ATOM 25 CG ARG A 2 14.059 -10.102 -7.391 1.00 0.00 C ATOM 26 CD ARG A 2 14.604 -8.697 -7.592 1.00 0.00 C ATOM 27 NE ARG A 2 14.780 -7.993 -6.323 1.00 0.00 N ATOM 28 CZ ARG A 2 15.938 -7.920 -5.673 1.00 0.00 C ATOM 29 NH1 ARG A 2 17.022 -8.499 -6.171 1.00 0.00 N ATOM 30 NH2 ARG A 2 16.013 -7.262 -4.524 1.00 0.00 N ATOM 0 H ARG A 2 16.521 -13.508 -7.369 1.00 0.00 H new ATOM 0 HA ARG A 2 13.691 -12.669 -7.105 1.00 0.00 H new ATOM 0 HB2 ARG A 2 15.736 -11.081 -6.491 1.00 0.00 H new ATOM 0 HB3 ARG A 2 15.856 -10.906 -8.230 1.00 0.00 H new ATOM 0 HG2 ARG A 2 13.330 -10.325 -8.170 1.00 0.00 H new ATOM 0 HG3 ARG A 2 13.533 -10.156 -6.438 1.00 0.00 H new ATOM 0 HD2 ARG A 2 15.560 -8.750 -8.113 1.00 0.00 H new ATOM 0 HD3 ARG A 2 13.924 -8.132 -8.229 1.00 0.00 H new ATOM 0 HE ARG A 2 13.968 -7.531 -5.913 1.00 0.00 H new ATOM 0 HH11 ARG A 2 16.970 -9.003 -7.056 1.00 0.00 H new ATOM 0 HH12 ARG A 2 17.908 -8.440 -5.669 1.00 0.00 H new ATOM 0 HH21 ARG A 2 15.183 -6.812 -4.139 1.00 0.00 H new ATOM 0 HH22 ARG A 2 16.901 -7.206 -4.025 1.00 0.00 H new ATOM 44 N GLY A 3 14.670 -14.144 -9.445 1.00 0.00 N ATOM 45 CA GLY A 3 14.526 -14.548 -10.831 1.00 0.00 C ATOM 46 C GLY A 3 13.366 -15.500 -11.042 1.00 0.00 C ATOM 47 O GLY A 3 12.489 -15.245 -11.868 1.00 0.00 O ATOM 0 H GLY A 3 14.924 -14.896 -8.804 1.00 0.00 H new ATOM 0 HA2 GLY A 3 14.382 -13.663 -11.451 1.00 0.00 H new ATOM 0 HA3 GLY A 3 15.448 -15.025 -11.165 1.00 0.00 H new ATOM 51 N SER A 4 13.363 -16.599 -10.295 1.00 0.00 N ATOM 52 CA SER A 4 12.304 -17.597 -10.404 1.00 0.00 C ATOM 53 C SER A 4 10.946 -16.999 -10.051 1.00 0.00 C ATOM 54 O SER A 4 10.821 -16.231 -9.097 1.00 0.00 O ATOM 55 CB SER A 4 12.602 -18.787 -9.491 1.00 0.00 C ATOM 56 OG SER A 4 11.591 -19.776 -9.596 1.00 0.00 O ATOM 0 H SER A 4 14.082 -16.822 -9.607 1.00 0.00 H new ATOM 0 HA SER A 4 12.269 -17.938 -11.439 1.00 0.00 H new ATOM 0 HB2 SER A 4 13.567 -19.219 -9.755 1.00 0.00 H new ATOM 0 HB3 SER A 4 12.677 -18.447 -8.458 1.00 0.00 H new ATOM 0 HG SER A 4 11.805 -20.527 -9.004 1.00 0.00 H new ATOM 62 N ASN A 5 9.930 -17.360 -10.830 1.00 0.00 N ATOM 63 CA ASN A 5 8.576 -16.863 -10.607 1.00 0.00 C ATOM 64 C ASN A 5 7.892 -17.632 -9.481 1.00 0.00 C ATOM 65 O ASN A 5 7.897 -18.863 -9.463 1.00 0.00 O ATOM 66 CB ASN A 5 7.753 -16.978 -11.892 1.00 0.00 C ATOM 67 CG ASN A 5 7.959 -18.305 -12.598 1.00 0.00 C ATOM 68 OD1 ASN A 5 8.961 -18.507 -13.284 1.00 0.00 O ATOM 69 ND2 ASN A 5 7.007 -19.216 -12.435 1.00 0.00 N ATOM 0 H ASN A 5 10.019 -17.996 -11.622 1.00 0.00 H new ATOM 0 HA ASN A 5 8.643 -15.814 -10.317 1.00 0.00 H new ATOM 0 HB2 ASN A 5 6.696 -16.857 -11.655 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.023 -16.166 -12.567 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.089 -20.126 -12.888 1.00 0.00 H new ATOM 0 HD22 ASN A 5 6.193 -19.005 -11.857 1.00 0.00 H new ATOM 76 N ALA A 6 7.303 -16.895 -8.543 1.00 0.00 N ATOM 77 CA ALA A 6 6.612 -17.504 -7.412 1.00 0.00 C ATOM 78 C ALA A 6 5.619 -16.528 -6.784 1.00 0.00 C ATOM 79 O ALA A 6 5.817 -16.069 -5.658 1.00 0.00 O ATOM 80 CB ALA A 6 7.618 -17.979 -6.373 1.00 0.00 C ATOM 0 H ALA A 6 7.291 -15.875 -8.544 1.00 0.00 H new ATOM 0 HA ALA A 6 6.052 -18.364 -7.780 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.089 -18.431 -5.534 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.284 -18.716 -6.822 1.00 0.00 H new ATOM 0 HB3 ALA A 6 8.202 -17.130 -6.018 1.00 0.00 H new ATOM 86 N PRO A 7 4.532 -16.195 -7.505 1.00 0.00 N ATOM 87 CA PRO A 7 3.511 -15.271 -7.009 1.00 0.00 C ATOM 88 C PRO A 7 2.565 -15.933 -6.013 1.00 0.00 C ATOM 89 O PRO A 7 1.575 -15.332 -5.593 1.00 0.00 O ATOM 90 CB PRO A 7 2.759 -14.882 -8.280 1.00 0.00 C ATOM 91 CG PRO A 7 2.870 -16.078 -9.158 1.00 0.00 C ATOM 92 CD PRO A 7 4.212 -16.693 -8.860 1.00 0.00 C ATOM 0 HA PRO A 7 3.943 -14.428 -6.470 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.718 -14.641 -8.067 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.200 -14.003 -8.749 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.065 -16.785 -8.957 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.794 -15.798 -10.209 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.168 -17.782 -8.887 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.964 -16.386 -9.587 1.00 0.00 H new ATOM 100 N GLN A 8 2.880 -17.175 -5.642 1.00 0.00 N ATOM 101 CA GLN A 8 2.065 -17.936 -4.696 1.00 0.00 C ATOM 102 C GLN A 8 0.678 -18.223 -5.274 1.00 0.00 C ATOM 103 O GLN A 8 0.071 -17.360 -5.907 1.00 0.00 O ATOM 104 CB GLN A 8 1.940 -17.183 -3.368 1.00 0.00 C ATOM 105 CG GLN A 8 3.099 -17.430 -2.418 1.00 0.00 C ATOM 106 CD GLN A 8 3.082 -18.827 -1.827 1.00 0.00 C ATOM 107 OE1 GLN A 8 2.069 -19.273 -1.287 1.00 0.00 O ATOM 108 NE2 GLN A 8 4.206 -19.525 -1.928 1.00 0.00 N ATOM 0 H GLN A 8 3.699 -17.677 -5.985 1.00 0.00 H new ATOM 0 HA GLN A 8 2.563 -18.888 -4.514 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.869 -16.114 -3.571 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.011 -17.477 -2.879 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.038 -17.276 -2.949 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.065 -16.698 -1.611 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.021 -19.115 -2.384 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.255 -20.471 -1.550 1.00 0.00 H new ATOM 117 N PRO A 9 0.156 -19.448 -5.070 1.00 0.00 N ATOM 118 CA PRO A 9 -1.161 -19.837 -5.582 1.00 0.00 C ATOM 119 C PRO A 9 -2.305 -19.228 -4.777 1.00 0.00 C ATOM 120 O PRO A 9 -3.471 -19.560 -4.989 1.00 0.00 O ATOM 121 CB PRO A 9 -1.156 -21.358 -5.436 1.00 0.00 C ATOM 122 CG PRO A 9 -0.252 -21.620 -4.285 1.00 0.00 C ATOM 123 CD PRO A 9 0.808 -20.550 -4.332 1.00 0.00 C ATOM 0 HA PRO A 9 -1.321 -19.490 -6.603 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.159 -21.742 -5.248 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.794 -21.842 -6.343 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.800 -21.584 -3.343 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.193 -22.612 -4.357 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.109 -20.240 -3.331 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.706 -20.898 -4.842 1.00 0.00 H new ATOM 131 N SER A 10 -1.964 -18.334 -3.854 1.00 0.00 N ATOM 132 CA SER A 10 -2.964 -17.679 -3.019 1.00 0.00 C ATOM 133 C SER A 10 -2.622 -16.206 -2.818 1.00 0.00 C ATOM 134 O SER A 10 -3.189 -15.332 -3.474 1.00 0.00 O ATOM 135 CB SER A 10 -3.071 -18.383 -1.666 1.00 0.00 C ATOM 136 OG SER A 10 -3.161 -19.788 -1.827 1.00 0.00 O ATOM 0 H SER A 10 -1.003 -18.047 -3.666 1.00 0.00 H new ATOM 0 HA SER A 10 -3.926 -17.743 -3.528 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.201 -18.139 -1.056 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.948 -18.018 -1.131 1.00 0.00 H new ATOM 0 HG SER A 10 -3.227 -20.215 -0.947 1.00 0.00 H new ATOM 142 N HIS A 11 -1.688 -15.937 -1.908 1.00 0.00 N ATOM 143 CA HIS A 11 -1.271 -14.569 -1.623 1.00 0.00 C ATOM 144 C HIS A 11 0.062 -14.548 -0.880 1.00 0.00 C ATOM 145 O HIS A 11 0.514 -15.569 -0.362 1.00 0.00 O ATOM 146 CB HIS A 11 -2.339 -13.846 -0.800 1.00 0.00 C ATOM 147 CG HIS A 11 -2.528 -14.416 0.573 1.00 0.00 C ATOM 148 ND1 HIS A 11 -1.659 -14.125 1.596 1.00 0.00 N ATOM 149 CD2 HIS A 11 -3.493 -15.248 1.035 1.00 0.00 C ATOM 150 CE1 HIS A 11 -2.109 -14.780 2.650 1.00 0.00 C ATOM 151 NE2 HIS A 11 -3.219 -15.476 2.359 1.00 0.00 N ATOM 0 H HIS A 11 -1.207 -16.648 -1.357 1.00 0.00 H new ATOM 0 HA HIS A 11 -1.144 -14.051 -2.574 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.068 -12.794 -0.713 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -3.288 -13.888 -1.335 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -0.835 -13.526 1.551 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -4.319 -15.653 0.469 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -1.643 -14.759 3.624 1.00 0.00 H new ATOM 159 N ILE A 12 0.680 -13.373 -0.831 1.00 0.00 N ATOM 160 CA ILE A 12 1.961 -13.203 -0.152 1.00 0.00 C ATOM 161 C ILE A 12 1.788 -13.248 1.364 1.00 0.00 C ATOM 162 O ILE A 12 0.761 -12.818 1.893 1.00 0.00 O ATOM 163 CB ILE A 12 2.628 -11.867 -0.551 1.00 0.00 C ATOM 164 CG1 ILE A 12 3.764 -11.510 0.412 1.00 0.00 C ATOM 165 CG2 ILE A 12 1.598 -10.750 -0.585 1.00 0.00 C ATOM 166 CD1 ILE A 12 5.136 -11.653 -0.199 1.00 0.00 C ATOM 0 H ILE A 12 0.313 -12.521 -1.255 1.00 0.00 H new ATOM 0 HA ILE A 12 2.603 -14.028 -0.462 1.00 0.00 H new ATOM 0 HB ILE A 12 3.052 -11.987 -1.548 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.632 -10.483 0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.698 -12.149 1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.083 -9.816 -0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.824 -10.991 -1.313 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.147 -10.641 0.401 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.892 -11.384 0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.288 -12.685 -0.515 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.220 -10.993 -1.062 1.00 0.00 H new ATOM 178 N SER A 13 2.801 -13.764 2.056 1.00 0.00 N ATOM 179 CA SER A 13 2.767 -13.857 3.510 1.00 0.00 C ATOM 180 C SER A 13 2.426 -12.504 4.128 1.00 0.00 C ATOM 181 O SER A 13 1.582 -12.417 5.021 1.00 0.00 O ATOM 182 CB SER A 13 4.113 -14.350 4.042 1.00 0.00 C ATOM 183 OG SER A 13 4.527 -15.529 3.371 1.00 0.00 O ATOM 0 H SER A 13 3.656 -14.124 1.631 1.00 0.00 H new ATOM 0 HA SER A 13 1.993 -14.572 3.789 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.865 -13.572 3.914 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.035 -14.545 5.112 1.00 0.00 H new ATOM 0 HG SER A 13 5.391 -15.823 3.728 1.00 0.00 H new ATOM 189 N LYS A 14 3.079 -11.449 3.643 1.00 0.00 N ATOM 190 CA LYS A 14 2.829 -10.105 4.148 1.00 0.00 C ATOM 191 C LYS A 14 3.265 -9.041 3.142 1.00 0.00 C ATOM 192 O LYS A 14 4.262 -9.203 2.439 1.00 0.00 O ATOM 193 CB LYS A 14 3.545 -9.897 5.488 1.00 0.00 C ATOM 194 CG LYS A 14 5.022 -9.565 5.353 1.00 0.00 C ATOM 195 CD LYS A 14 5.818 -10.081 6.541 1.00 0.00 C ATOM 196 CE LYS A 14 7.068 -9.250 6.779 1.00 0.00 C ATOM 197 NZ LYS A 14 6.843 -8.186 7.797 1.00 0.00 N ATOM 0 H LYS A 14 3.781 -11.501 2.905 1.00 0.00 H new ATOM 0 HA LYS A 14 1.755 -10.000 4.300 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.050 -9.092 6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.439 -10.800 6.089 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.412 -10.003 4.434 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.148 -8.485 5.270 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.193 -10.063 7.434 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.098 -11.120 6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.879 -9.900 7.107 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.385 -8.794 5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.749 -7.931 8.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.434 -7.347 7.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.188 -8.536 8.526 1.00 0.00 H new ATOM 211 N TYR A 15 2.510 -7.947 3.091 1.00 0.00 N ATOM 212 CA TYR A 15 2.803 -6.841 2.186 1.00 0.00 C ATOM 213 C TYR A 15 3.215 -5.605 2.981 1.00 0.00 C ATOM 214 O TYR A 15 2.684 -5.347 4.059 1.00 0.00 O ATOM 215 CB TYR A 15 1.575 -6.517 1.325 1.00 0.00 C ATOM 216 CG TYR A 15 1.791 -6.702 -0.162 1.00 0.00 C ATOM 217 CD1 TYR A 15 2.884 -6.131 -0.804 1.00 0.00 C ATOM 218 CD2 TYR A 15 0.895 -7.439 -0.927 1.00 0.00 C ATOM 219 CE1 TYR A 15 3.077 -6.289 -2.163 1.00 0.00 C ATOM 220 CE2 TYR A 15 1.083 -7.604 -2.286 1.00 0.00 C ATOM 221 CZ TYR A 15 2.175 -7.028 -2.900 1.00 0.00 C ATOM 222 OH TYR A 15 2.363 -7.188 -4.253 1.00 0.00 O ATOM 0 H TYR A 15 1.684 -7.803 3.672 1.00 0.00 H new ATOM 0 HA TYR A 15 3.625 -7.136 1.534 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.746 -7.150 1.642 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.277 -5.485 1.512 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.594 -5.554 -0.231 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.037 -7.891 -0.451 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.930 -5.836 -2.646 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.378 -8.182 -2.865 1.00 0.00 H new ATOM 0 HH TYR A 15 1.639 -7.736 -4.621 1.00 0.00 H new ATOM 232 N ILE A 16 4.168 -4.846 2.452 1.00 0.00 N ATOM 233 CA ILE A 16 4.645 -3.651 3.125 1.00 0.00 C ATOM 234 C ILE A 16 4.292 -2.394 2.335 1.00 0.00 C ATOM 235 O ILE A 16 4.411 -2.360 1.110 1.00 0.00 O ATOM 236 CB ILE A 16 6.173 -3.727 3.351 1.00 0.00 C ATOM 237 CG1 ILE A 16 6.481 -3.705 4.849 1.00 0.00 C ATOM 238 CG2 ILE A 16 6.912 -2.612 2.619 1.00 0.00 C ATOM 239 CD1 ILE A 16 6.533 -2.314 5.457 1.00 0.00 C ATOM 0 H ILE A 16 4.623 -5.039 1.560 1.00 0.00 H new ATOM 0 HA ILE A 16 4.148 -3.595 4.094 1.00 0.00 H new ATOM 0 HB ILE A 16 6.531 -4.668 2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.724 -4.289 5.372 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.438 -4.199 5.018 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.982 -2.702 2.804 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.721 -2.691 1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.561 -1.645 2.980 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.757 -2.390 6.521 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.310 -1.730 4.964 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.570 -1.822 5.323 1.00 0.00 H new ATOM 251 N LEU A 17 3.859 -1.363 3.052 1.00 0.00 N ATOM 252 CA LEU A 17 3.494 -0.098 2.430 1.00 0.00 C ATOM 253 C LEU A 17 4.328 1.036 3.011 1.00 0.00 C ATOM 254 O LEU A 17 4.217 1.358 4.194 1.00 0.00 O ATOM 255 CB LEU A 17 2.004 0.191 2.638 1.00 0.00 C ATOM 256 CG LEU A 17 1.271 0.726 1.404 1.00 0.00 C ATOM 257 CD1 LEU A 17 0.024 -0.096 1.118 1.00 0.00 C ATOM 258 CD2 LEU A 17 0.904 2.190 1.591 1.00 0.00 C ATOM 0 H LEU A 17 3.752 -1.380 4.066 1.00 0.00 H new ATOM 0 HA LEU A 17 3.691 -0.171 1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.513 -0.726 2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.899 0.914 3.447 1.00 0.00 H new ATOM 0 HG LEU A 17 1.943 0.642 0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.480 0.302 0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.306 -1.133 0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.648 -0.047 1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.384 2.551 0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.254 2.294 2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.810 2.776 1.744 1.00 0.00 H new ATOM 270 N ARG A 18 5.162 1.639 2.173 1.00 0.00 N ATOM 271 CA ARG A 18 6.015 2.740 2.605 1.00 0.00 C ATOM 272 C ARG A 18 5.780 3.961 1.727 1.00 0.00 C ATOM 273 O ARG A 18 5.792 3.858 0.504 1.00 0.00 O ATOM 274 CB ARG A 18 7.491 2.330 2.557 1.00 0.00 C ATOM 275 CG ARG A 18 7.712 0.859 2.238 1.00 0.00 C ATOM 276 CD ARG A 18 8.691 0.218 3.209 1.00 0.00 C ATOM 277 NE ARG A 18 10.079 0.504 2.854 1.00 0.00 N ATOM 278 CZ ARG A 18 11.127 -0.059 3.451 1.00 0.00 C ATOM 279 NH1 ARG A 18 10.947 -0.932 4.433 1.00 0.00 N ATOM 280 NH2 ARG A 18 12.356 0.253 3.066 1.00 0.00 N ATOM 0 H ARG A 18 5.266 1.385 1.191 1.00 0.00 H new ATOM 0 HA ARG A 18 5.760 2.991 3.635 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.002 2.935 1.808 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.952 2.557 3.518 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.760 0.330 2.278 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.090 0.759 1.220 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.492 0.581 4.217 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.535 -0.861 3.222 1.00 0.00 H new ATOM 0 HE ARG A 18 10.255 1.174 2.105 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.003 -1.174 4.733 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.753 -1.361 4.888 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.499 0.925 2.312 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.159 -0.179 3.524 1.00 0.00 H new ATOM 294 N TRP A 19 5.553 5.117 2.347 1.00 0.00 N ATOM 295 CA TRP A 19 5.303 6.333 1.584 1.00 0.00 C ATOM 296 C TRP A 19 5.582 7.597 2.391 1.00 0.00 C ATOM 297 O TRP A 19 5.578 7.586 3.623 1.00 0.00 O ATOM 298 CB TRP A 19 3.857 6.351 1.085 1.00 0.00 C ATOM 299 CG TRP A 19 2.847 6.569 2.172 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.134 7.709 2.406 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.441 5.629 3.176 1.00 0.00 C ATOM 302 NE1 TRP A 19 1.302 7.533 3.485 1.00 0.00 N ATOM 303 CE2 TRP A 19 1.473 6.266 3.976 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.798 4.311 3.472 1.00 0.00 C ATOM 305 CZ2 TRP A 19 0.861 5.629 5.052 1.00 0.00 C ATOM 306 CZ3 TRP A 19 2.189 3.680 4.541 1.00 0.00 C ATOM 307 CH2 TRP A 19 1.229 4.339 5.319 1.00 0.00 C ATOM 0 H TRP A 19 5.537 5.235 3.360 1.00 0.00 H new ATOM 0 HA TRP A 19 5.991 6.326 0.738 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.749 7.138 0.338 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.642 5.406 0.586 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.212 8.617 1.827 1.00 0.00 H new ATOM 0 HE1 TRP A 19 0.661 8.232 3.860 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.536 3.794 2.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.122 6.136 5.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.458 2.662 4.780 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.770 3.818 6.146 1.00 0.00 H new ATOM 318 N ARG A 20 5.811 8.686 1.664 1.00 0.00 N ATOM 319 CA ARG A 20 6.084 9.987 2.258 1.00 0.00 C ATOM 320 C ARG A 20 5.806 11.089 1.234 1.00 0.00 C ATOM 321 O ARG A 20 5.739 10.816 0.035 1.00 0.00 O ATOM 322 CB ARG A 20 7.538 10.058 2.733 1.00 0.00 C ATOM 323 CG ARG A 20 8.501 10.581 1.680 1.00 0.00 C ATOM 324 CD ARG A 20 9.911 10.071 1.913 1.00 0.00 C ATOM 325 NE ARG A 20 10.779 10.316 0.765 1.00 0.00 N ATOM 326 CZ ARG A 20 11.925 10.987 0.837 1.00 0.00 C ATOM 327 NH1 ARG A 20 12.335 11.483 1.997 1.00 0.00 N ATOM 328 NH2 ARG A 20 12.662 11.161 -0.252 1.00 0.00 N ATOM 0 H ARG A 20 5.812 8.690 0.644 1.00 0.00 H new ATOM 0 HA ARG A 20 5.432 10.129 3.120 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.592 10.699 3.613 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.858 9.063 3.043 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.161 10.275 0.691 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.500 11.671 1.694 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.331 10.556 2.794 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.880 9.002 2.122 1.00 0.00 H new ATOM 0 HE ARG A 20 10.490 9.952 -0.143 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.771 11.350 2.836 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.214 11.997 2.050 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.350 10.780 -1.145 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.541 11.676 -0.196 1.00 0.00 H new ATOM 342 N PRO A 21 5.646 12.349 1.677 1.00 0.00 N ATOM 343 CA PRO A 21 5.384 13.466 0.762 1.00 0.00 C ATOM 344 C PRO A 21 6.499 13.622 -0.269 1.00 0.00 C ATOM 345 O PRO A 21 7.613 14.025 0.066 1.00 0.00 O ATOM 346 CB PRO A 21 5.329 14.689 1.683 1.00 0.00 C ATOM 347 CG PRO A 21 5.052 14.139 3.041 1.00 0.00 C ATOM 348 CD PRO A 21 5.711 12.790 3.081 1.00 0.00 C ATOM 0 HA PRO A 21 4.470 13.320 0.187 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.270 15.239 1.665 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.548 15.383 1.371 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.452 14.792 3.816 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.980 14.055 3.217 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.739 12.853 3.437 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.185 12.103 3.745 1.00 0.00 H new ATOM 356 N LYS A 22 6.193 13.298 -1.523 1.00 0.00 N ATOM 357 CA LYS A 22 7.172 13.397 -2.601 1.00 0.00 C ATOM 358 C LYS A 22 7.566 14.850 -2.849 1.00 0.00 C ATOM 359 O LYS A 22 8.636 15.130 -3.387 1.00 0.00 O ATOM 360 CB LYS A 22 6.619 12.775 -3.885 1.00 0.00 C ATOM 361 CG LYS A 22 7.698 12.290 -4.840 1.00 0.00 C ATOM 362 CD LYS A 22 7.105 11.776 -6.142 1.00 0.00 C ATOM 363 CE LYS A 22 7.598 12.583 -7.334 1.00 0.00 C ATOM 364 NZ LYS A 22 9.077 12.497 -7.489 1.00 0.00 N ATOM 0 H LYS A 22 5.275 12.965 -1.817 1.00 0.00 H new ATOM 0 HA LYS A 22 8.063 12.847 -2.298 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.973 11.937 -3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.997 13.510 -4.396 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.390 13.105 -5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.275 11.497 -4.365 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.371 10.727 -6.276 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.017 11.825 -6.092 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.116 12.221 -8.242 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.306 13.626 -7.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.493 13.445 -7.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.466 11.867 -6.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.306 12.119 -8.431 1.00 0.00 H new ATOM 378 N ASN A 23 6.695 15.771 -2.447 1.00 0.00 N ATOM 379 CA ASN A 23 6.954 17.194 -2.620 1.00 0.00 C ATOM 380 C ASN A 23 7.748 17.743 -1.437 1.00 0.00 C ATOM 381 O ASN A 23 8.351 18.811 -1.522 1.00 0.00 O ATOM 382 CB ASN A 23 5.636 17.959 -2.767 1.00 0.00 C ATOM 383 CG ASN A 23 5.809 19.276 -3.498 1.00 0.00 C ATOM 384 OD1 ASN A 23 5.482 19.392 -4.680 1.00 0.00 O ATOM 385 ND2 ASN A 23 6.323 20.280 -2.797 1.00 0.00 N ATOM 0 H ASN A 23 5.804 15.556 -1.999 1.00 0.00 H new ATOM 0 HA ASN A 23 7.544 17.328 -3.527 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.918 17.340 -3.305 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.217 18.148 -1.779 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.460 21.191 -3.236 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.580 20.141 -1.820 1.00 0.00 H new ATOM 392 N SER A 24 7.741 16.997 -0.336 1.00 0.00 N ATOM 393 CA SER A 24 8.458 17.399 0.869 1.00 0.00 C ATOM 394 C SER A 24 9.435 16.310 1.308 1.00 0.00 C ATOM 395 O SER A 24 9.836 15.464 0.508 1.00 0.00 O ATOM 396 CB SER A 24 7.467 17.698 1.997 1.00 0.00 C ATOM 397 OG SER A 24 6.202 18.073 1.480 1.00 0.00 O ATOM 0 H SER A 24 7.246 16.109 -0.254 1.00 0.00 H new ATOM 0 HA SER A 24 9.026 18.302 0.644 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.358 16.818 2.631 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.858 18.498 2.626 1.00 0.00 H new ATOM 0 HG SER A 24 5.587 18.257 2.221 1.00 0.00 H new ATOM 403 N VAL A 25 9.812 16.338 2.584 1.00 0.00 N ATOM 404 CA VAL A 25 10.739 15.354 3.132 1.00 0.00 C ATOM 405 C VAL A 25 10.748 15.406 4.658 1.00 0.00 C ATOM 406 O VAL A 25 10.716 16.485 5.252 1.00 0.00 O ATOM 407 CB VAL A 25 12.172 15.573 2.604 1.00 0.00 C ATOM 408 CG1 VAL A 25 12.727 16.908 3.076 1.00 0.00 C ATOM 409 CG2 VAL A 25 13.080 14.427 3.029 1.00 0.00 C ATOM 0 H VAL A 25 9.489 17.032 3.258 1.00 0.00 H new ATOM 0 HA VAL A 25 10.394 14.372 2.807 1.00 0.00 H new ATOM 0 HB VAL A 25 12.134 15.593 1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 25 13.738 17.038 2.690 1.00 0.00 H new ATOM 0 HG12 VAL A 25 12.092 17.715 2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 25 12.749 16.928 4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 25 14.086 14.599 2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 25 13.109 14.370 4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.695 13.490 2.627 1.00 0.00 H new ATOM 419 N GLY A 26 10.787 14.236 5.289 1.00 0.00 N ATOM 420 CA GLY A 26 10.795 14.179 6.738 1.00 0.00 C ATOM 421 C GLY A 26 10.945 12.765 7.264 1.00 0.00 C ATOM 422 O GLY A 26 11.899 12.461 7.979 1.00 0.00 O ATOM 0 H GLY A 26 10.813 13.329 4.823 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.612 14.793 7.118 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.869 14.609 7.120 1.00 0.00 H new ATOM 426 N ARG A 27 9.998 11.900 6.913 1.00 0.00 N ATOM 427 CA ARG A 27 10.030 10.511 7.358 1.00 0.00 C ATOM 428 C ARG A 27 9.060 9.654 6.551 1.00 0.00 C ATOM 429 O ARG A 27 8.099 10.161 5.973 1.00 0.00 O ATOM 430 CB ARG A 27 9.689 10.421 8.846 1.00 0.00 C ATOM 431 CG ARG A 27 8.456 11.220 9.238 1.00 0.00 C ATOM 432 CD ARG A 27 8.468 11.572 10.716 1.00 0.00 C ATOM 433 NE ARG A 27 7.367 12.462 11.080 1.00 0.00 N ATOM 434 CZ ARG A 27 7.532 13.735 11.428 1.00 0.00 C ATOM 435 NH1 ARG A 27 8.746 14.267 11.456 1.00 0.00 N ATOM 436 NH2 ARG A 27 6.480 14.477 11.750 1.00 0.00 N ATOM 0 H ARG A 27 9.200 12.136 6.323 1.00 0.00 H new ATOM 0 HA ARG A 27 11.039 10.131 7.199 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.534 9.375 9.112 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.541 10.775 9.427 1.00 0.00 H new ATOM 0 HG2 ARG A 27 8.410 12.134 8.646 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.560 10.645 9.007 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.404 10.658 11.306 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.416 12.048 10.967 1.00 0.00 H new ATOM 0 HE ARG A 27 6.419 12.086 11.066 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.557 13.700 11.210 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.869 15.244 11.723 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.544 14.071 11.731 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.607 15.453 12.017 1.00 0.00 H new ATOM 450 N TRP A 28 9.320 8.351 6.520 1.00 0.00 N ATOM 451 CA TRP A 28 8.474 7.415 5.788 1.00 0.00 C ATOM 452 C TRP A 28 7.394 6.835 6.696 1.00 0.00 C ATOM 453 O TRP A 28 7.408 7.047 7.909 1.00 0.00 O ATOM 454 CB TRP A 28 9.317 6.271 5.216 1.00 0.00 C ATOM 455 CG TRP A 28 10.216 6.679 4.088 1.00 0.00 C ATOM 456 CD1 TRP A 28 11.385 7.381 4.180 1.00 0.00 C ATOM 457 CD2 TRP A 28 10.025 6.399 2.695 1.00 0.00 C ATOM 458 NE1 TRP A 28 11.929 7.556 2.931 1.00 0.00 N ATOM 459 CE2 TRP A 28 11.114 6.963 2.003 1.00 0.00 C ATOM 460 CE3 TRP A 28 9.038 5.727 1.968 1.00 0.00 C ATOM 461 CZ2 TRP A 28 11.242 6.874 0.619 1.00 0.00 C ATOM 462 CZ3 TRP A 28 9.167 5.641 0.594 1.00 0.00 C ATOM 463 CH2 TRP A 28 10.263 6.211 -0.068 1.00 0.00 C ATOM 0 H TRP A 28 10.112 7.918 6.995 1.00 0.00 H new ATOM 0 HA TRP A 28 7.999 7.961 4.973 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.924 5.847 6.015 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.651 5.481 4.868 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.818 7.745 5.100 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.799 8.048 2.727 1.00 0.00 H new ATOM 0 HE3 TRP A 28 8.191 5.283 2.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.085 7.313 0.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 8.410 5.126 0.021 1.00 0.00 H new ATOM 0 HH2 TRP A 28 10.336 6.125 -1.142 1.00 0.00 H new ATOM 474 N LYS A 29 6.473 6.085 6.101 1.00 0.00 N ATOM 475 CA LYS A 29 5.398 5.447 6.849 1.00 0.00 C ATOM 476 C LYS A 29 5.290 3.991 6.423 1.00 0.00 C ATOM 477 O LYS A 29 5.228 3.699 5.235 1.00 0.00 O ATOM 478 CB LYS A 29 4.072 6.173 6.609 1.00 0.00 C ATOM 479 CG LYS A 29 4.043 7.583 7.174 1.00 0.00 C ATOM 480 CD LYS A 29 2.695 7.901 7.801 1.00 0.00 C ATOM 481 CE LYS A 29 2.840 8.849 8.981 1.00 0.00 C ATOM 482 NZ LYS A 29 3.037 10.257 8.540 1.00 0.00 N ATOM 0 H LYS A 29 6.450 5.904 5.097 1.00 0.00 H new ATOM 0 HA LYS A 29 5.622 5.498 7.915 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.879 6.215 5.537 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.264 5.594 7.056 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.829 7.694 7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.255 8.299 6.380 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.040 8.347 7.052 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.219 6.978 8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.951 8.786 9.609 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.686 8.539 9.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.132 10.872 9.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.899 10.322 7.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.218 10.562 7.976 1.00 0.00 H new ATOM 496 N GLU A 30 5.298 3.077 7.385 1.00 0.00 N ATOM 497 CA GLU A 30 5.237 1.656 7.063 1.00 0.00 C ATOM 498 C GLU A 30 4.014 0.978 7.668 1.00 0.00 C ATOM 499 O GLU A 30 3.735 1.107 8.860 1.00 0.00 O ATOM 500 CB GLU A 30 6.510 0.949 7.536 1.00 0.00 C ATOM 501 CG GLU A 30 7.686 1.889 7.750 1.00 0.00 C ATOM 502 CD GLU A 30 8.557 1.476 8.921 1.00 0.00 C ATOM 503 OE1 GLU A 30 9.065 0.335 8.909 1.00 0.00 O ATOM 504 OE2 GLU A 30 8.730 2.294 9.849 1.00 0.00 O ATOM 0 H GLU A 30 5.345 3.289 8.382 1.00 0.00 H new ATOM 0 HA GLU A 30 5.154 1.577 5.979 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.300 0.426 8.469 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.789 0.193 6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.292 1.919 6.844 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.313 2.899 7.918 1.00 0.00 H new ATOM 511 N ALA A 31 3.301 0.239 6.823 1.00 0.00 N ATOM 512 CA ALA A 31 2.114 -0.493 7.239 1.00 0.00 C ATOM 513 C ALA A 31 2.108 -1.876 6.600 1.00 0.00 C ATOM 514 O ALA A 31 1.971 -2.006 5.384 1.00 0.00 O ATOM 515 CB ALA A 31 0.856 0.276 6.861 1.00 0.00 C ATOM 0 H ALA A 31 3.530 0.132 5.835 1.00 0.00 H new ATOM 0 HA ALA A 31 2.131 -0.607 8.323 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.023 -0.285 7.179 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.863 1.249 7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.826 0.416 5.780 1.00 0.00 H new ATOM 521 N THR A 32 2.276 -2.902 7.423 1.00 0.00 N ATOM 522 CA THR A 32 2.310 -4.275 6.933 1.00 0.00 C ATOM 523 C THR A 32 0.940 -4.935 7.000 1.00 0.00 C ATOM 524 O THR A 32 0.269 -4.899 8.031 1.00 0.00 O ATOM 525 CB THR A 32 3.312 -5.129 7.731 1.00 0.00 C ATOM 526 OG1 THR A 32 4.529 -4.402 7.930 1.00 0.00 O ATOM 527 CG2 THR A 32 3.607 -6.434 7.005 1.00 0.00 C ATOM 0 H THR A 32 2.391 -2.811 8.432 1.00 0.00 H new ATOM 0 HA THR A 32 2.626 -4.221 5.891 1.00 0.00 H new ATOM 0 HB THR A 32 2.868 -5.361 8.699 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.159 -4.953 8.440 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.317 -7.022 7.587 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.683 -6.999 6.882 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.032 -6.217 6.025 1.00 0.00 H new ATOM 535 N ILE A 33 0.539 -5.550 5.893 1.00 0.00 N ATOM 536 CA ILE A 33 -0.741 -6.236 5.816 1.00 0.00 C ATOM 537 C ILE A 33 -0.590 -7.581 5.107 1.00 0.00 C ATOM 538 O ILE A 33 -0.390 -7.631 3.894 1.00 0.00 O ATOM 539 CB ILE A 33 -1.795 -5.390 5.075 1.00 0.00 C ATOM 540 CG1 ILE A 33 -1.936 -4.018 5.735 1.00 0.00 C ATOM 541 CG2 ILE A 33 -3.134 -6.113 5.060 1.00 0.00 C ATOM 542 CD1 ILE A 33 -1.118 -2.936 5.064 1.00 0.00 C ATOM 0 H ILE A 33 1.087 -5.586 5.033 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.080 -6.397 6.839 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.466 -5.246 4.046 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.986 -3.726 5.726 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.635 -4.094 6.780 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.870 -5.505 4.534 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.025 -7.071 4.552 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.468 -6.282 6.084 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.267 -1.991 5.586 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.062 -3.205 5.096 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.434 -2.832 4.026 1.00 0.00 H new ATOM 554 N PRO A 34 -0.674 -8.691 5.866 1.00 0.00 N ATOM 555 CA PRO A 34 -0.540 -10.048 5.322 1.00 0.00 C ATOM 556 C PRO A 34 -1.348 -10.268 4.045 1.00 0.00 C ATOM 557 O PRO A 34 -2.511 -10.669 4.103 1.00 0.00 O ATOM 558 CB PRO A 34 -1.086 -10.921 6.449 1.00 0.00 C ATOM 559 CG PRO A 34 -0.781 -10.162 7.691 1.00 0.00 C ATOM 560 CD PRO A 34 -0.896 -8.706 7.327 1.00 0.00 C ATOM 0 HA PRO A 34 0.489 -10.267 5.035 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.158 -11.087 6.339 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.611 -11.902 6.457 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.478 -10.421 8.488 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.220 -10.395 8.055 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.875 -8.304 7.587 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.155 -8.103 7.851 1.00 0.00 H new ATOM 568 N GLY A 35 -0.716 -10.020 2.898 1.00 0.00 N ATOM 569 CA GLY A 35 -1.375 -10.204 1.612 1.00 0.00 C ATOM 570 C GLY A 35 -2.829 -9.761 1.607 1.00 0.00 C ATOM 571 O GLY A 35 -3.685 -10.446 1.046 1.00 0.00 O ATOM 0 H GLY A 35 0.248 -9.692 2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.831 -9.645 0.851 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.323 -11.257 1.333 1.00 0.00 H new ATOM 575 N HIS A 36 -3.108 -8.617 2.227 1.00 0.00 N ATOM 576 CA HIS A 36 -4.471 -8.089 2.286 1.00 0.00 C ATOM 577 C HIS A 36 -5.432 -9.127 2.861 1.00 0.00 C ATOM 578 O HIS A 36 -6.501 -9.377 2.303 1.00 0.00 O ATOM 579 CB HIS A 36 -4.935 -7.661 0.892 1.00 0.00 C ATOM 580 CG HIS A 36 -5.754 -6.406 0.889 1.00 0.00 C ATOM 581 ND1 HIS A 36 -5.526 -5.404 -0.023 1.00 0.00 N ATOM 582 CD2 HIS A 36 -6.780 -6.043 1.697 1.00 0.00 C ATOM 583 CE1 HIS A 36 -6.410 -4.461 0.246 1.00 0.00 C ATOM 584 NE2 HIS A 36 -7.193 -4.803 1.281 1.00 0.00 N ATOM 0 H HIS A 36 -2.411 -8.038 2.695 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.470 -7.219 2.943 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.061 -7.516 0.257 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.520 -8.467 0.450 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.193 -6.619 2.512 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -6.493 -3.532 -0.298 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -7.949 -4.248 1.681 1.00 0.00 H new ATOM 592 N LEU A 37 -5.039 -9.734 3.977 1.00 0.00 N ATOM 593 CA LEU A 37 -5.857 -10.754 4.627 1.00 0.00 C ATOM 594 C LEU A 37 -7.101 -10.151 5.279 1.00 0.00 C ATOM 595 O LEU A 37 -8.101 -10.842 5.476 1.00 0.00 O ATOM 596 CB LEU A 37 -5.029 -11.539 5.664 1.00 0.00 C ATOM 597 CG LEU A 37 -4.644 -10.801 6.962 1.00 0.00 C ATOM 598 CD1 LEU A 37 -4.148 -9.388 6.683 1.00 0.00 C ATOM 599 CD2 LEU A 37 -5.810 -10.780 7.942 1.00 0.00 C ATOM 0 H LEU A 37 -4.158 -9.537 4.451 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.192 -11.445 3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.589 -12.433 5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.111 -11.873 5.180 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.822 -11.353 7.417 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.887 -8.902 7.623 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.269 -9.431 6.040 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.933 -8.818 6.186 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.513 -10.254 8.849 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.658 -10.269 7.487 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.094 -11.802 8.192 1.00 0.00 H new ATOM 611 N ASN A 38 -7.037 -8.867 5.614 1.00 0.00 N ATOM 612 CA ASN A 38 -8.166 -8.190 6.245 1.00 0.00 C ATOM 613 C ASN A 38 -8.436 -6.841 5.591 1.00 0.00 C ATOM 614 O ASN A 38 -7.631 -6.349 4.800 1.00 0.00 O ATOM 615 CB ASN A 38 -7.907 -8.001 7.742 1.00 0.00 C ATOM 616 CG ASN A 38 -6.816 -6.985 8.023 1.00 0.00 C ATOM 617 OD1 ASN A 38 -5.665 -7.345 8.267 1.00 0.00 O ATOM 618 ND2 ASN A 38 -7.174 -5.706 7.994 1.00 0.00 N ATOM 0 H ASN A 38 -6.220 -8.276 5.461 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.047 -8.818 6.111 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -8.829 -7.682 8.229 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.628 -8.958 8.182 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.483 -4.979 8.178 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.140 -5.451 7.787 1.00 0.00 H new ATOM 625 N SER A 39 -9.575 -6.247 5.933 1.00 0.00 N ATOM 626 CA SER A 39 -9.956 -4.951 5.386 1.00 0.00 C ATOM 627 C SER A 39 -9.214 -3.826 6.098 1.00 0.00 C ATOM 628 O SER A 39 -9.524 -3.491 7.242 1.00 0.00 O ATOM 629 CB SER A 39 -11.466 -4.743 5.514 1.00 0.00 C ATOM 630 OG SER A 39 -11.815 -3.389 5.283 1.00 0.00 O ATOM 0 H SER A 39 -10.250 -6.643 6.587 1.00 0.00 H new ATOM 0 HA SER A 39 -9.684 -4.934 4.331 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.986 -5.383 4.801 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.795 -5.042 6.509 1.00 0.00 H new ATOM 0 HG SER A 39 -12.785 -3.282 5.369 1.00 0.00 H new ATOM 636 N TYR A 40 -8.231 -3.248 5.417 1.00 0.00 N ATOM 637 CA TYR A 40 -7.443 -2.163 5.983 1.00 0.00 C ATOM 638 C TYR A 40 -7.543 -0.911 5.114 1.00 0.00 C ATOM 639 O TYR A 40 -7.374 -0.972 3.895 1.00 0.00 O ATOM 640 CB TYR A 40 -5.980 -2.597 6.156 1.00 0.00 C ATOM 641 CG TYR A 40 -5.140 -2.492 4.900 1.00 0.00 C ATOM 642 CD1 TYR A 40 -4.470 -1.316 4.586 1.00 0.00 C ATOM 643 CD2 TYR A 40 -5.017 -3.569 4.030 1.00 0.00 C ATOM 644 CE1 TYR A 40 -3.703 -1.213 3.443 1.00 0.00 C ATOM 645 CE2 TYR A 40 -4.249 -3.475 2.884 1.00 0.00 C ATOM 646 CZ TYR A 40 -3.595 -2.295 2.595 1.00 0.00 C ATOM 647 OH TYR A 40 -2.831 -2.197 1.455 1.00 0.00 O ATOM 0 H TYR A 40 -7.961 -3.515 4.470 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.845 -1.921 6.967 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.523 -1.987 6.935 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.960 -3.629 6.506 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.551 -0.467 5.248 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.529 -4.493 4.253 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.190 -0.290 3.214 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.162 -4.321 2.218 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.859 -3.047 0.968 1.00 0.00 H new ATOM 657 N THR A 41 -7.830 0.222 5.745 1.00 0.00 N ATOM 658 CA THR A 41 -7.960 1.483 5.026 1.00 0.00 C ATOM 659 C THR A 41 -6.710 2.344 5.189 1.00 0.00 C ATOM 660 O THR A 41 -6.078 2.345 6.246 1.00 0.00 O ATOM 661 CB THR A 41 -9.189 2.278 5.508 1.00 0.00 C ATOM 662 OG1 THR A 41 -9.381 3.434 4.684 1.00 0.00 O ATOM 663 CG2 THR A 41 -9.027 2.706 6.960 1.00 0.00 C ATOM 0 H THR A 41 -7.977 0.293 6.752 1.00 0.00 H new ATOM 0 HA THR A 41 -8.088 1.235 3.972 1.00 0.00 H new ATOM 0 HB THR A 41 -10.062 1.629 5.433 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.165 3.932 4.997 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.908 3.265 7.275 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.914 1.823 7.589 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.143 3.337 7.057 1.00 0.00 H new ATOM 671 N ILE A 42 -6.361 3.080 4.136 1.00 0.00 N ATOM 672 CA ILE A 42 -5.192 3.951 4.159 1.00 0.00 C ATOM 673 C ILE A 42 -5.578 5.349 4.637 1.00 0.00 C ATOM 674 O ILE A 42 -6.609 5.888 4.235 1.00 0.00 O ATOM 675 CB ILE A 42 -4.528 4.039 2.763 1.00 0.00 C ATOM 676 CG1 ILE A 42 -3.492 2.925 2.598 1.00 0.00 C ATOM 677 CG2 ILE A 42 -3.874 5.402 2.545 1.00 0.00 C ATOM 678 CD1 ILE A 42 -3.123 2.650 1.157 1.00 0.00 C ATOM 0 H ILE A 42 -6.874 3.089 3.254 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.472 3.520 4.854 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.308 3.915 2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.591 3.193 3.150 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.880 2.010 3.046 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.417 5.432 1.556 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.630 6.184 2.619 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.108 5.564 3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.385 1.849 1.117 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.013 2.351 0.604 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.705 3.552 0.710 1.00 0.00 H new ATOM 690 N LYS A 43 -4.746 5.929 5.496 1.00 0.00 N ATOM 691 CA LYS A 43 -5.004 7.262 6.025 1.00 0.00 C ATOM 692 C LYS A 43 -5.134 8.278 4.895 1.00 0.00 C ATOM 693 O LYS A 43 -4.232 8.419 4.067 1.00 0.00 O ATOM 694 CB LYS A 43 -3.882 7.679 6.979 1.00 0.00 C ATOM 695 CG LYS A 43 -4.310 8.714 8.009 1.00 0.00 C ATOM 696 CD LYS A 43 -4.366 8.121 9.407 1.00 0.00 C ATOM 697 CE LYS A 43 -5.783 7.721 9.785 1.00 0.00 C ATOM 698 NZ LYS A 43 -5.853 7.138 11.154 1.00 0.00 N ATOM 0 H LYS A 43 -3.888 5.497 5.840 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.945 7.235 6.574 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.510 6.795 7.497 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.052 8.080 6.397 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.612 9.551 7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.289 9.111 7.742 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.714 7.249 9.460 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.987 8.847 10.127 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.433 8.594 9.729 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.160 6.997 9.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.837 6.879 11.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.253 6.290 11.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.518 7.838 11.847 1.00 0.00 H new ATOM 712 N GLY A 44 -6.264 8.979 4.865 1.00 0.00 N ATOM 713 CA GLY A 44 -6.501 9.972 3.831 1.00 0.00 C ATOM 714 C GLY A 44 -5.402 11.014 3.760 1.00 0.00 C ATOM 715 O GLY A 44 -4.811 11.375 4.778 1.00 0.00 O ATOM 0 H GLY A 44 -7.022 8.877 5.540 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.586 9.473 2.866 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.454 10.467 4.019 1.00 0.00 H new ATOM 719 N LEU A 45 -5.129 11.498 2.551 1.00 0.00 N ATOM 720 CA LEU A 45 -4.093 12.506 2.346 1.00 0.00 C ATOM 721 C LEU A 45 -4.711 13.883 2.127 1.00 0.00 C ATOM 722 O LEU A 45 -5.930 14.015 2.012 1.00 0.00 O ATOM 723 CB LEU A 45 -3.216 12.124 1.149 1.00 0.00 C ATOM 724 CG LEU A 45 -2.866 10.638 1.052 1.00 0.00 C ATOM 725 CD1 LEU A 45 -2.185 10.336 -0.273 1.00 0.00 C ATOM 726 CD2 LEU A 45 -1.978 10.218 2.214 1.00 0.00 C ATOM 0 H LEU A 45 -5.610 11.209 1.699 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.473 12.548 3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.727 12.422 0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.290 12.697 1.198 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.792 10.065 1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.943 9.274 -0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.854 10.596 -1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.269 10.921 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.741 9.158 2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.056 10.799 2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.500 10.396 3.154 1.00 0.00 H new ATOM 738 N LYS A 46 -3.864 14.907 2.072 1.00 0.00 N ATOM 739 CA LYS A 46 -4.329 16.271 1.868 1.00 0.00 C ATOM 740 C LYS A 46 -4.272 16.655 0.390 1.00 0.00 C ATOM 741 O LYS A 46 -3.222 16.546 -0.246 1.00 0.00 O ATOM 742 CB LYS A 46 -3.494 17.250 2.695 1.00 0.00 C ATOM 743 CG LYS A 46 -3.927 18.699 2.538 1.00 0.00 C ATOM 744 CD LYS A 46 -2.899 19.654 3.122 1.00 0.00 C ATOM 745 CE LYS A 46 -2.323 20.569 2.053 1.00 0.00 C ATOM 746 NZ LYS A 46 -3.317 21.573 1.586 1.00 0.00 N ATOM 0 H LYS A 46 -2.852 14.816 2.166 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.367 16.324 2.197 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.558 16.972 3.747 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.447 17.158 2.404 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.075 18.923 1.482 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.887 18.849 3.033 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.361 20.254 3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.095 19.085 3.588 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.447 21.083 2.449 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.986 19.971 1.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.885 22.177 0.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.142 21.084 1.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.620 22.161 2.389 1.00 0.00 H new ATOM 760 N PRO A 47 -5.405 17.109 -0.179 1.00 0.00 N ATOM 761 CA PRO A 47 -5.478 17.507 -1.591 1.00 0.00 C ATOM 762 C PRO A 47 -4.512 18.640 -1.922 1.00 0.00 C ATOM 763 O PRO A 47 -4.687 19.771 -1.468 1.00 0.00 O ATOM 764 CB PRO A 47 -6.928 17.975 -1.767 1.00 0.00 C ATOM 765 CG PRO A 47 -7.676 17.358 -0.636 1.00 0.00 C ATOM 766 CD PRO A 47 -6.702 17.269 0.502 1.00 0.00 C ATOM 0 HA PRO A 47 -5.201 16.688 -2.255 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.997 19.062 -1.739 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.332 17.655 -2.728 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.541 17.963 -0.363 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.050 16.371 -0.908 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.724 18.165 1.122 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.921 16.424 1.155 1.00 0.00 H new ATOM 774 N GLY A 48 -3.494 18.331 -2.719 1.00 0.00 N ATOM 775 CA GLY A 48 -2.517 19.333 -3.100 1.00 0.00 C ATOM 776 C GLY A 48 -1.096 18.919 -2.769 1.00 0.00 C ATOM 777 O GLY A 48 -0.143 19.614 -3.121 1.00 0.00 O ATOM 0 H GLY A 48 -3.329 17.403 -3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.596 19.523 -4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.746 20.270 -2.592 1.00 0.00 H new ATOM 781 N VAL A 49 -0.954 17.784 -2.090 1.00 0.00 N ATOM 782 CA VAL A 49 0.362 17.280 -1.714 1.00 0.00 C ATOM 783 C VAL A 49 0.637 15.928 -2.360 1.00 0.00 C ATOM 784 O VAL A 49 -0.219 15.045 -2.362 1.00 0.00 O ATOM 785 CB VAL A 49 0.500 17.132 -0.186 1.00 0.00 C ATOM 786 CG1 VAL A 49 1.944 17.344 0.242 1.00 0.00 C ATOM 787 CG2 VAL A 49 -0.425 18.098 0.535 1.00 0.00 C ATOM 0 H VAL A 49 -1.733 17.197 -1.790 1.00 0.00 H new ATOM 0 HA VAL A 49 1.087 18.012 -2.069 1.00 0.00 H new ATOM 0 HB VAL A 49 0.208 16.118 0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.022 17.236 1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.580 16.604 -0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.266 18.345 -0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.311 17.976 1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.171 19.121 0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.458 17.891 0.254 1.00 0.00 H new ATOM 797 N VAL A 50 1.841 15.771 -2.901 1.00 0.00 N ATOM 798 CA VAL A 50 2.229 14.521 -3.541 1.00 0.00 C ATOM 799 C VAL A 50 2.668 13.497 -2.503 1.00 0.00 C ATOM 800 O VAL A 50 3.393 13.823 -1.564 1.00 0.00 O ATOM 801 CB VAL A 50 3.374 14.731 -4.552 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.555 13.492 -5.417 1.00 0.00 C ATOM 803 CG2 VAL A 50 3.112 15.959 -5.412 1.00 0.00 C ATOM 0 H VAL A 50 2.562 16.492 -2.909 1.00 0.00 H new ATOM 0 HA VAL A 50 1.353 14.152 -4.074 1.00 0.00 H new ATOM 0 HB VAL A 50 4.298 14.897 -3.998 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.367 13.658 -6.125 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.794 12.638 -4.784 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.633 13.292 -5.963 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.931 16.090 -6.119 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.178 15.828 -5.959 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.038 16.840 -4.775 1.00 0.00 H new ATOM 813 N TYR A 51 2.226 12.255 -2.678 1.00 0.00 N ATOM 814 CA TYR A 51 2.577 11.184 -1.752 1.00 0.00 C ATOM 815 C TYR A 51 3.078 9.958 -2.508 1.00 0.00 C ATOM 816 O TYR A 51 2.290 9.146 -2.984 1.00 0.00 O ATOM 817 CB TYR A 51 1.371 10.808 -0.889 1.00 0.00 C ATOM 818 CG TYR A 51 1.365 11.466 0.473 1.00 0.00 C ATOM 819 CD1 TYR A 51 2.287 11.102 1.448 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.435 12.450 0.785 1.00 0.00 C ATOM 821 CE1 TYR A 51 2.281 11.700 2.695 1.00 0.00 C ATOM 822 CE2 TYR A 51 0.423 13.052 2.029 1.00 0.00 C ATOM 823 CZ TYR A 51 1.348 12.674 2.980 1.00 0.00 C ATOM 824 OH TYR A 51 1.339 13.272 4.218 1.00 0.00 O ATOM 0 H TYR A 51 1.626 11.966 -3.450 1.00 0.00 H new ATOM 0 HA TYR A 51 3.377 11.544 -1.105 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.458 11.082 -1.418 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.352 9.726 -0.759 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.020 10.340 1.228 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.291 12.749 0.043 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.004 11.405 3.442 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.307 13.815 2.256 1.00 0.00 H new ATOM 0 HH TYR A 51 0.620 13.937 4.255 1.00 0.00 H new ATOM 834 N GLU A 52 4.393 9.829 -2.613 1.00 0.00 N ATOM 835 CA GLU A 52 4.988 8.700 -3.309 1.00 0.00 C ATOM 836 C GLU A 52 5.172 7.524 -2.359 1.00 0.00 C ATOM 837 O GLU A 52 5.678 7.678 -1.247 1.00 0.00 O ATOM 838 CB GLU A 52 6.327 9.098 -3.943 1.00 0.00 C ATOM 839 CG GLU A 52 7.490 9.157 -2.963 1.00 0.00 C ATOM 840 CD GLU A 52 8.828 8.915 -3.633 1.00 0.00 C ATOM 841 OE1 GLU A 52 8.890 8.062 -4.544 1.00 0.00 O ATOM 842 OE2 GLU A 52 9.814 9.575 -3.245 1.00 0.00 O ATOM 0 H GLU A 52 5.066 10.491 -2.226 1.00 0.00 H new ATOM 0 HA GLU A 52 4.311 8.394 -4.107 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.568 8.386 -4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.216 10.074 -4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.502 10.133 -2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.339 8.413 -2.181 1.00 0.00 H new ATOM 849 N GLY A 53 4.748 6.350 -2.803 1.00 0.00 N ATOM 850 CA GLY A 53 4.866 5.164 -1.983 1.00 0.00 C ATOM 851 C GLY A 53 5.211 3.934 -2.789 1.00 0.00 C ATOM 852 O GLY A 53 4.910 3.854 -3.979 1.00 0.00 O ATOM 0 H GLY A 53 4.324 6.198 -3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.633 5.325 -1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.927 4.997 -1.455 1.00 0.00 H new ATOM 856 N GLN A 54 5.844 2.974 -2.134 1.00 0.00 N ATOM 857 CA GLN A 54 6.235 1.732 -2.781 1.00 0.00 C ATOM 858 C GLN A 54 5.711 0.538 -1.997 1.00 0.00 C ATOM 859 O GLN A 54 5.815 0.493 -0.772 1.00 0.00 O ATOM 860 CB GLN A 54 7.758 1.649 -2.902 1.00 0.00 C ATOM 861 CG GLN A 54 8.492 2.706 -2.095 1.00 0.00 C ATOM 862 CD GLN A 54 9.992 2.665 -2.308 1.00 0.00 C ATOM 863 OE1 GLN A 54 10.738 2.180 -1.457 1.00 0.00 O ATOM 864 NE2 GLN A 54 10.441 3.173 -3.450 1.00 0.00 N ATOM 0 H GLN A 54 6.099 3.032 -1.148 1.00 0.00 H new ATOM 0 HA GLN A 54 5.801 1.715 -3.781 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.086 0.662 -2.576 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.036 1.747 -3.951 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.117 3.692 -2.369 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.275 2.565 -1.036 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.786 3.565 -4.127 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.441 3.171 -3.651 1.00 0.00 H new ATOM 873 N LEU A 55 5.147 -0.426 -2.711 1.00 0.00 N ATOM 874 CA LEU A 55 4.604 -1.619 -2.079 1.00 0.00 C ATOM 875 C LEU A 55 5.587 -2.776 -2.186 1.00 0.00 C ATOM 876 O LEU A 55 5.784 -3.337 -3.265 1.00 0.00 O ATOM 877 CB LEU A 55 3.274 -2.000 -2.732 1.00 0.00 C ATOM 878 CG LEU A 55 2.385 -2.920 -1.896 1.00 0.00 C ATOM 879 CD1 LEU A 55 1.799 -2.166 -0.716 1.00 0.00 C ATOM 880 CD2 LEU A 55 1.279 -3.517 -2.752 1.00 0.00 C ATOM 0 H LEU A 55 5.054 -0.405 -3.727 1.00 0.00 H new ATOM 0 HA LEU A 55 4.434 -1.404 -1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.720 -1.087 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.481 -2.487 -3.685 1.00 0.00 H new ATOM 0 HG LEU A 55 2.999 -3.735 -1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.169 -2.837 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.606 -1.788 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.201 -1.330 -1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.657 -4.169 -2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.667 -2.716 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.720 -4.095 -3.565 1.00 0.00 H new ATOM 892 N ILE A 56 6.207 -3.130 -1.063 1.00 0.00 N ATOM 893 CA ILE A 56 7.172 -4.220 -1.045 1.00 0.00 C ATOM 894 C ILE A 56 6.569 -5.492 -0.460 1.00 0.00 C ATOM 895 O ILE A 56 6.223 -5.547 0.718 1.00 0.00 O ATOM 896 CB ILE A 56 8.444 -3.856 -0.244 1.00 0.00 C ATOM 897 CG1 ILE A 56 9.182 -2.700 -0.909 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.369 -5.052 -0.160 1.00 0.00 C ATOM 899 CD1 ILE A 56 8.997 -1.372 -0.208 1.00 0.00 C ATOM 0 H ILE A 56 6.058 -2.680 -0.160 1.00 0.00 H new ATOM 0 HA ILE A 56 7.448 -4.395 -2.085 1.00 0.00 H new ATOM 0 HB ILE A 56 8.140 -3.558 0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.246 -2.935 -0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.839 -2.607 -1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.261 -4.783 0.406 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.856 -5.874 0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.657 -5.361 -1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.552 -0.599 -0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.938 -1.113 -0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.367 -1.446 0.815 1.00 0.00 H new ATOM 911 N SER A 57 6.465 -6.515 -1.296 1.00 0.00 N ATOM 912 CA SER A 57 5.929 -7.797 -0.884 1.00 0.00 C ATOM 913 C SER A 57 7.004 -8.609 -0.178 1.00 0.00 C ATOM 914 O SER A 57 8.004 -9.004 -0.781 1.00 0.00 O ATOM 915 CB SER A 57 5.416 -8.553 -2.110 1.00 0.00 C ATOM 916 OG SER A 57 6.069 -9.802 -2.262 1.00 0.00 O ATOM 0 H SER A 57 6.750 -6.477 -2.275 1.00 0.00 H new ATOM 0 HA SER A 57 5.103 -7.637 -0.191 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.342 -8.712 -2.017 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.573 -7.948 -3.003 1.00 0.00 H new ATOM 0 HG SER A 57 7.024 -9.698 -2.067 1.00 0.00 H new ATOM 922 N ILE A 58 6.794 -8.839 1.106 1.00 0.00 N ATOM 923 CA ILE A 58 7.746 -9.592 1.913 1.00 0.00 C ATOM 924 C ILE A 58 7.237 -10.998 2.216 1.00 0.00 C ATOM 925 O ILE A 58 6.130 -11.177 2.730 1.00 0.00 O ATOM 926 CB ILE A 58 8.061 -8.868 3.236 1.00 0.00 C ATOM 927 CG1 ILE A 58 8.483 -7.424 2.956 1.00 0.00 C ATOM 928 CG2 ILE A 58 9.153 -9.608 3.997 1.00 0.00 C ATOM 929 CD1 ILE A 58 8.401 -6.519 4.166 1.00 0.00 C ATOM 0 H ILE A 58 5.972 -8.516 1.616 1.00 0.00 H new ATOM 0 HA ILE A 58 8.660 -9.668 1.324 1.00 0.00 H new ATOM 0 HB ILE A 58 7.163 -8.854 3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.506 -7.421 2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.852 -7.017 2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.365 -9.085 4.930 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.820 -10.622 4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.057 -9.647 3.389 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.715 -5.513 3.890 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.374 -6.491 4.531 1.00 0.00 H new ATOM 0 HD13 ILE A 58 9.054 -6.901 4.951 1.00 0.00 H new ATOM 941 N GLN A 59 8.062 -11.988 1.894 1.00 0.00 N ATOM 942 CA GLN A 59 7.724 -13.387 2.124 1.00 0.00 C ATOM 943 C GLN A 59 8.628 -13.983 3.196 1.00 0.00 C ATOM 944 O GLN A 59 9.426 -13.275 3.807 1.00 0.00 O ATOM 945 CB GLN A 59 7.849 -14.190 0.827 1.00 0.00 C ATOM 946 CG GLN A 59 6.545 -14.834 0.388 1.00 0.00 C ATOM 947 CD GLN A 59 6.714 -15.745 -0.812 1.00 0.00 C ATOM 948 OE1 GLN A 59 6.222 -15.451 -1.901 1.00 0.00 O ATOM 949 NE2 GLN A 59 7.407 -16.861 -0.617 1.00 0.00 N ATOM 0 H GLN A 59 8.978 -11.845 1.469 1.00 0.00 H new ATOM 0 HA GLN A 59 6.691 -13.437 2.468 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.206 -13.532 0.034 1.00 0.00 H new ATOM 0 HB3 GLN A 59 8.602 -14.966 0.960 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.131 -15.407 1.218 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.823 -14.054 0.147 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.797 -17.065 0.303 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.549 -17.514 -1.387 1.00 0.00 H new ATOM 958 N GLN A 60 8.492 -15.284 3.428 1.00 0.00 N ATOM 959 CA GLN A 60 9.297 -15.970 4.433 1.00 0.00 C ATOM 960 C GLN A 60 10.788 -15.887 4.103 1.00 0.00 C ATOM 961 O GLN A 60 11.629 -16.287 4.907 1.00 0.00 O ATOM 962 CB GLN A 60 8.870 -17.436 4.542 1.00 0.00 C ATOM 963 CG GLN A 60 8.722 -18.129 3.198 1.00 0.00 C ATOM 964 CD GLN A 60 9.269 -19.544 3.203 1.00 0.00 C ATOM 965 OE1 GLN A 60 9.917 -19.970 4.160 1.00 0.00 O ATOM 966 NE2 GLN A 60 9.009 -20.281 2.129 1.00 0.00 N ATOM 0 H GLN A 60 7.832 -15.885 2.934 1.00 0.00 H new ATOM 0 HA GLN A 60 9.132 -15.473 5.389 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.604 -17.976 5.141 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.921 -17.490 5.076 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.668 -18.153 2.921 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.239 -17.547 2.435 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.468 -19.887 1.359 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.350 -21.241 2.074 1.00 0.00 H new ATOM 975 N TYR A 61 11.111 -15.365 2.920 1.00 0.00 N ATOM 976 CA TYR A 61 12.504 -15.236 2.497 1.00 0.00 C ATOM 977 C TYR A 61 13.027 -13.822 2.750 1.00 0.00 C ATOM 978 O TYR A 61 14.211 -13.543 2.559 1.00 0.00 O ATOM 979 CB TYR A 61 12.644 -15.588 1.015 1.00 0.00 C ATOM 980 CG TYR A 61 12.483 -17.065 0.723 1.00 0.00 C ATOM 981 CD1 TYR A 61 13.403 -17.991 1.200 1.00 0.00 C ATOM 982 CD2 TYR A 61 11.413 -17.532 -0.030 1.00 0.00 C ATOM 983 CE1 TYR A 61 13.259 -19.340 0.937 1.00 0.00 C ATOM 984 CE2 TYR A 61 11.262 -18.880 -0.298 1.00 0.00 C ATOM 985 CZ TYR A 61 12.189 -19.779 0.187 1.00 0.00 C ATOM 986 OH TYR A 61 12.043 -21.121 -0.078 1.00 0.00 O ATOM 0 H TYR A 61 10.430 -15.026 2.241 1.00 0.00 H new ATOM 0 HA TYR A 61 13.100 -15.932 3.087 1.00 0.00 H new ATOM 0 HB2 TYR A 61 11.899 -15.031 0.446 1.00 0.00 H new ATOM 0 HB3 TYR A 61 13.623 -15.262 0.664 1.00 0.00 H new ATOM 0 HD1 TYR A 61 14.244 -17.651 1.786 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.687 -16.830 -0.413 1.00 0.00 H new ATOM 0 HE1 TYR A 61 13.981 -20.047 1.317 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.423 -19.227 -0.883 1.00 0.00 H new ATOM 0 HH TYR A 61 11.237 -21.262 -0.617 1.00 0.00 H new ATOM 996 N GLY A 62 12.138 -12.937 3.192 1.00 0.00 N ATOM 997 CA GLY A 62 12.522 -11.564 3.481 1.00 0.00 C ATOM 998 C GLY A 62 12.856 -10.758 2.239 1.00 0.00 C ATOM 999 O GLY A 62 13.914 -10.946 1.637 1.00 0.00 O ATOM 0 H GLY A 62 11.153 -13.147 3.356 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.710 -11.072 4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.386 -11.568 4.146 1.00 0.00 H new ATOM 1003 N HIS A 63 11.953 -9.847 1.866 1.00 0.00 N ATOM 1004 CA HIS A 63 12.145 -8.986 0.696 1.00 0.00 C ATOM 1005 C HIS A 63 12.252 -9.805 -0.587 1.00 0.00 C ATOM 1006 O HIS A 63 13.140 -10.645 -0.727 1.00 0.00 O ATOM 1007 CB HIS A 63 13.398 -8.125 0.870 1.00 0.00 C ATOM 1008 CG HIS A 63 13.396 -7.313 2.128 1.00 0.00 C ATOM 1009 ND1 HIS A 63 14.203 -7.637 3.191 1.00 0.00 N ATOM 1010 CD2 HIS A 63 12.672 -6.212 2.441 1.00 0.00 C ATOM 1011 CE1 HIS A 63 13.956 -6.733 4.122 1.00 0.00 C ATOM 1012 NE2 HIS A 63 13.034 -5.848 3.713 1.00 0.00 N ATOM 0 H HIS A 63 11.076 -9.686 2.361 1.00 0.00 H new ATOM 0 HA HIS A 63 11.272 -8.339 0.614 1.00 0.00 H new ATOM 0 HB2 HIS A 63 14.276 -8.771 0.865 1.00 0.00 H new ATOM 0 HB3 HIS A 63 13.490 -7.455 0.015 1.00 0.00 H new ATOM 0 HD2 HIS A 63 11.949 -5.716 1.810 1.00 0.00 H new ATOM 0 HE1 HIS A 63 14.435 -6.709 5.090 1.00 0.00 H new ATOM 0 HE2 HIS A 63 12.672 -5.057 4.245 1.00 0.00 H new ATOM 1020 N GLN A 64 11.341 -9.559 -1.528 1.00 0.00 N ATOM 1021 CA GLN A 64 11.346 -10.285 -2.794 1.00 0.00 C ATOM 1022 C GLN A 64 10.624 -9.518 -3.901 1.00 0.00 C ATOM 1023 O GLN A 64 10.829 -9.795 -5.083 1.00 0.00 O ATOM 1024 CB GLN A 64 10.701 -11.669 -2.627 1.00 0.00 C ATOM 1025 CG GLN A 64 10.013 -11.881 -1.287 1.00 0.00 C ATOM 1026 CD GLN A 64 10.572 -13.069 -0.529 1.00 0.00 C ATOM 1027 OE1 GLN A 64 11.134 -12.919 0.557 1.00 0.00 O ATOM 1028 NE2 GLN A 64 10.420 -14.260 -1.097 1.00 0.00 N ATOM 0 H GLN A 64 10.596 -8.868 -1.438 1.00 0.00 H new ATOM 0 HA GLN A 64 12.390 -10.400 -3.087 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.972 -11.816 -3.424 1.00 0.00 H new ATOM 0 HB3 GLN A 64 11.469 -12.432 -2.753 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.123 -10.982 -0.680 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.945 -12.028 -1.450 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.948 -14.339 -1.998 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.775 -15.096 -0.632 1.00 0.00 H new ATOM 1037 N GLU A 65 9.765 -8.572 -3.528 1.00 0.00 N ATOM 1038 CA GLU A 65 9.014 -7.808 -4.524 1.00 0.00 C ATOM 1039 C GLU A 65 8.774 -6.370 -4.095 1.00 0.00 C ATOM 1040 O GLU A 65 8.141 -6.118 -3.085 1.00 0.00 O ATOM 1041 CB GLU A 65 7.671 -8.487 -4.788 1.00 0.00 C ATOM 1042 CG GLU A 65 7.423 -8.796 -6.255 1.00 0.00 C ATOM 1043 CD GLU A 65 5.960 -8.671 -6.638 1.00 0.00 C ATOM 1044 OE1 GLU A 65 5.189 -9.612 -6.353 1.00 0.00 O ATOM 1045 OE2 GLU A 65 5.586 -7.633 -7.223 1.00 0.00 O ATOM 0 H GLU A 65 9.573 -8.318 -2.559 1.00 0.00 H new ATOM 0 HA GLU A 65 9.616 -7.784 -5.433 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.624 -9.414 -4.217 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.870 -7.845 -4.420 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.015 -8.119 -6.870 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.767 -9.807 -6.473 1.00 0.00 H new ATOM 1052 N VAL A 66 9.277 -5.426 -4.874 1.00 0.00 N ATOM 1053 CA VAL A 66 9.087 -4.024 -4.561 1.00 0.00 C ATOM 1054 C VAL A 66 8.745 -3.200 -5.802 1.00 0.00 C ATOM 1055 O VAL A 66 9.396 -3.317 -6.840 1.00 0.00 O ATOM 1056 CB VAL A 66 10.317 -3.456 -3.846 1.00 0.00 C ATOM 1057 CG1 VAL A 66 11.571 -4.213 -4.221 1.00 0.00 C ATOM 1058 CG2 VAL A 66 10.474 -1.960 -4.087 1.00 0.00 C ATOM 0 H VAL A 66 9.816 -5.606 -5.721 1.00 0.00 H new ATOM 0 HA VAL A 66 8.233 -3.955 -3.887 1.00 0.00 H new ATOM 0 HB VAL A 66 10.158 -3.592 -2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 66 12.425 -3.785 -3.697 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.461 -5.261 -3.941 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.732 -4.140 -5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.358 -1.598 -3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.584 -1.773 -5.155 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.592 -1.437 -3.716 1.00 0.00 H new ATOM 1068 N THR A 67 7.719 -2.361 -5.676 1.00 0.00 N ATOM 1069 CA THR A 67 7.280 -1.504 -6.771 1.00 0.00 C ATOM 1070 C THR A 67 6.961 -0.101 -6.264 1.00 0.00 C ATOM 1071 O THR A 67 6.208 0.062 -5.305 1.00 0.00 O ATOM 1072 CB THR A 67 6.036 -2.082 -7.473 1.00 0.00 C ATOM 1073 OG1 THR A 67 6.363 -3.329 -8.099 1.00 0.00 O ATOM 1074 CG2 THR A 67 5.497 -1.114 -8.517 1.00 0.00 C ATOM 0 H THR A 67 7.174 -2.258 -4.820 1.00 0.00 H new ATOM 0 HA THR A 67 8.098 -1.455 -7.489 1.00 0.00 H new ATOM 0 HB THR A 67 5.265 -2.241 -6.719 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.567 -3.691 -8.542 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.619 -1.548 -8.997 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.221 -0.176 -8.035 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.264 -0.924 -9.268 1.00 0.00 H new ATOM 1082 N ARG A 68 7.535 0.910 -6.909 1.00 0.00 N ATOM 1083 CA ARG A 68 7.304 2.295 -6.510 1.00 0.00 C ATOM 1084 C ARG A 68 6.206 2.933 -7.351 1.00 0.00 C ATOM 1085 O ARG A 68 6.030 2.605 -8.524 1.00 0.00 O ATOM 1086 CB ARG A 68 8.592 3.114 -6.624 1.00 0.00 C ATOM 1087 CG ARG A 68 9.842 2.262 -6.726 1.00 0.00 C ATOM 1088 CD ARG A 68 11.105 3.108 -6.693 1.00 0.00 C ATOM 1089 NE ARG A 68 11.147 4.073 -7.789 1.00 0.00 N ATOM 1090 CZ ARG A 68 12.271 4.598 -8.268 1.00 0.00 C ATOM 1091 NH1 ARG A 68 13.443 4.250 -7.752 1.00 0.00 N ATOM 1092 NH2 ARG A 68 12.226 5.468 -9.268 1.00 0.00 N ATOM 0 H ARG A 68 8.161 0.798 -7.707 1.00 0.00 H new ATOM 0 HA ARG A 68 6.981 2.289 -5.469 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.528 3.758 -7.501 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.676 3.767 -5.755 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.862 1.546 -5.904 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.815 1.685 -7.651 1.00 0.00 H new ATOM 0 HD2 ARG A 68 11.162 3.637 -5.742 1.00 0.00 H new ATOM 0 HD3 ARG A 68 11.978 2.458 -6.749 1.00 0.00 H new ATOM 0 HE ARG A 68 10.264 4.360 -8.211 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.484 3.578 -6.986 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.303 4.654 -8.122 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.328 5.736 -9.671 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.089 5.870 -9.634 1.00 0.00 H new ATOM 1106 N PHE A 69 5.472 3.847 -6.732 1.00 0.00 N ATOM 1107 CA PHE A 69 4.379 4.548 -7.404 1.00 0.00 C ATOM 1108 C PHE A 69 4.086 5.888 -6.733 1.00 0.00 C ATOM 1109 O PHE A 69 4.419 6.095 -5.568 1.00 0.00 O ATOM 1110 CB PHE A 69 3.114 3.685 -7.409 1.00 0.00 C ATOM 1111 CG PHE A 69 2.771 3.103 -6.067 1.00 0.00 C ATOM 1112 CD1 PHE A 69 2.023 3.827 -5.153 1.00 0.00 C ATOM 1113 CD2 PHE A 69 3.195 1.829 -5.722 1.00 0.00 C ATOM 1114 CE1 PHE A 69 1.703 3.291 -3.918 1.00 0.00 C ATOM 1115 CE2 PHE A 69 2.880 1.288 -4.490 1.00 0.00 C ATOM 1116 CZ PHE A 69 2.133 2.019 -3.587 1.00 0.00 C ATOM 0 H PHE A 69 5.612 4.124 -5.760 1.00 0.00 H new ATOM 0 HA PHE A 69 4.689 4.738 -8.432 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.276 4.288 -7.758 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.242 2.873 -8.125 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.686 4.821 -5.407 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.778 1.252 -6.424 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.119 3.865 -3.214 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.218 0.295 -4.234 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.885 1.598 -2.624 1.00 0.00 H new ATOM 1126 N ASP A 70 3.448 6.787 -7.475 1.00 0.00 N ATOM 1127 CA ASP A 70 3.091 8.103 -6.952 1.00 0.00 C ATOM 1128 C ASP A 70 1.574 8.233 -6.856 1.00 0.00 C ATOM 1129 O ASP A 70 0.860 7.978 -7.827 1.00 0.00 O ATOM 1130 CB ASP A 70 3.665 9.208 -7.842 1.00 0.00 C ATOM 1131 CG ASP A 70 3.113 9.166 -9.253 1.00 0.00 C ATOM 1132 OD1 ASP A 70 3.249 8.114 -9.912 1.00 0.00 O ATOM 1133 OD2 ASP A 70 2.546 10.185 -9.698 1.00 0.00 O ATOM 0 H ASP A 70 3.167 6.629 -8.443 1.00 0.00 H new ATOM 0 HA ASP A 70 3.518 8.210 -5.955 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.444 10.179 -7.398 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.750 9.114 -7.877 1.00 0.00 H new ATOM 1138 N PHE A 71 1.080 8.609 -5.679 1.00 0.00 N ATOM 1139 CA PHE A 71 -0.357 8.741 -5.473 1.00 0.00 C ATOM 1140 C PHE A 71 -0.695 9.836 -4.464 1.00 0.00 C ATOM 1141 O PHE A 71 0.146 10.245 -3.665 1.00 0.00 O ATOM 1142 CB PHE A 71 -0.932 7.404 -4.996 1.00 0.00 C ATOM 1143 CG PHE A 71 -0.991 7.267 -3.497 1.00 0.00 C ATOM 1144 CD1 PHE A 71 0.171 7.142 -2.747 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -2.210 7.262 -2.840 1.00 0.00 C ATOM 1146 CE1 PHE A 71 0.114 7.014 -1.372 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -2.272 7.133 -1.465 1.00 0.00 C ATOM 1148 CZ PHE A 71 -1.110 7.008 -0.730 1.00 0.00 C ATOM 0 H PHE A 71 1.649 8.826 -4.861 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.803 9.024 -6.426 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.937 7.286 -5.402 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.327 6.593 -5.402 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.130 7.145 -3.244 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.123 7.360 -3.408 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.025 6.919 -0.800 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.230 7.130 -0.966 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.157 6.906 0.344 1.00 0.00 H new ATOM 1158 N THR A 72 -1.945 10.288 -4.498 1.00 0.00 N ATOM 1159 CA THR A 72 -2.425 11.314 -3.582 1.00 0.00 C ATOM 1160 C THR A 72 -3.898 11.081 -3.263 1.00 0.00 C ATOM 1161 O THR A 72 -4.565 10.293 -3.933 1.00 0.00 O ATOM 1162 CB THR A 72 -2.255 12.744 -4.145 1.00 0.00 C ATOM 1163 OG1 THR A 72 -3.429 13.130 -4.868 1.00 0.00 O ATOM 1164 CG2 THR A 72 -1.041 12.846 -5.056 1.00 0.00 C ATOM 0 H THR A 72 -2.649 9.955 -5.157 1.00 0.00 H new ATOM 0 HA THR A 72 -1.819 11.236 -2.679 1.00 0.00 H new ATOM 0 HB THR A 72 -2.104 13.416 -3.300 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.382 14.085 -5.082 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.953 13.865 -5.433 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.143 12.588 -4.495 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.156 12.158 -5.894 1.00 0.00 H new ATOM 1172 N THR A 73 -4.398 11.768 -2.242 1.00 0.00 N ATOM 1173 CA THR A 73 -5.795 11.631 -1.842 1.00 0.00 C ATOM 1174 C THR A 73 -6.731 11.804 -3.036 1.00 0.00 C ATOM 1175 O THR A 73 -7.564 10.942 -3.314 1.00 0.00 O ATOM 1176 CB THR A 73 -6.171 12.657 -0.759 1.00 0.00 C ATOM 1177 OG1 THR A 73 -7.595 12.794 -0.685 1.00 0.00 O ATOM 1178 CG2 THR A 73 -5.539 14.008 -1.055 1.00 0.00 C ATOM 0 H THR A 73 -3.859 12.424 -1.677 1.00 0.00 H new ATOM 0 HA THR A 73 -5.910 10.626 -1.437 1.00 0.00 H new ATOM 0 HB THR A 73 -5.793 12.298 0.199 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.825 13.448 0.008 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.818 14.718 -0.277 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.454 13.905 -1.080 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.891 14.371 -2.021 1.00 0.00 H new ATOM 1186 N THR A 74 -6.583 12.922 -3.740 1.00 0.00 N ATOM 1187 CA THR A 74 -7.408 13.211 -4.907 1.00 0.00 C ATOM 1188 C THR A 74 -6.838 14.382 -5.706 1.00 0.00 C ATOM 1189 O THR A 74 -7.358 15.497 -5.655 1.00 0.00 O ATOM 1190 CB THR A 74 -8.865 13.525 -4.508 1.00 0.00 C ATOM 1191 OG1 THR A 74 -9.559 14.125 -5.608 1.00 0.00 O ATOM 1192 CG2 THR A 74 -8.915 14.453 -3.303 1.00 0.00 C ATOM 0 H THR A 74 -5.897 13.644 -3.521 1.00 0.00 H new ATOM 0 HA THR A 74 -7.402 12.316 -5.529 1.00 0.00 H new ATOM 0 HB THR A 74 -9.351 12.586 -4.241 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.205 15.025 -5.766 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.954 14.657 -3.044 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.417 13.979 -2.458 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.410 15.389 -3.543 1.00 0.00 H new ATOM 1200 N SER A 75 -5.762 14.116 -6.443 1.00 0.00 N ATOM 1201 CA SER A 75 -5.113 15.142 -7.254 1.00 0.00 C ATOM 1202 C SER A 75 -4.000 14.539 -8.108 1.00 0.00 C ATOM 1203 O SER A 75 -3.670 15.062 -9.173 1.00 0.00 O ATOM 1204 CB SER A 75 -4.542 16.245 -6.361 1.00 0.00 C ATOM 1205 OG SER A 75 -4.968 17.526 -6.795 1.00 0.00 O ATOM 0 H SER A 75 -5.321 13.198 -6.495 1.00 0.00 H new ATOM 0 HA SER A 75 -5.864 15.572 -7.916 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.859 16.083 -5.331 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.453 16.198 -6.371 1.00 0.00 H new ATOM 0 HG SER A 75 -4.591 18.213 -6.207 1.00 0.00 H new ATOM 1211 N THR A 76 -3.428 13.436 -7.630 1.00 0.00 N ATOM 1212 CA THR A 76 -2.350 12.756 -8.341 1.00 0.00 C ATOM 1213 C THR A 76 -1.186 13.704 -8.621 1.00 0.00 C ATOM 1214 O THR A 76 -1.141 14.816 -8.096 1.00 0.00 O ATOM 1215 CB THR A 76 -2.845 12.152 -9.669 1.00 0.00 C ATOM 1216 OG1 THR A 76 -4.272 12.033 -9.651 1.00 0.00 O ATOM 1217 CG2 THR A 76 -2.222 10.784 -9.906 1.00 0.00 C ATOM 0 H THR A 76 -3.695 12.994 -6.750 1.00 0.00 H new ATOM 0 HA THR A 76 -2.005 11.950 -7.693 1.00 0.00 H new ATOM 0 HB THR A 76 -2.545 12.817 -10.479 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.579 11.650 -10.499 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.586 10.377 -10.849 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.137 10.880 -9.947 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.496 10.113 -9.092 1.00 0.00 H new ATOM 1225 N SER A 77 -0.247 13.256 -9.449 1.00 0.00 N ATOM 1226 CA SER A 77 0.915 14.068 -9.795 1.00 0.00 C ATOM 1227 C SER A 77 1.294 13.885 -11.260 1.00 0.00 C ATOM 1228 O SER A 77 0.969 12.867 -11.874 1.00 0.00 O ATOM 1229 CB SER A 77 2.101 13.703 -8.900 1.00 0.00 C ATOM 1230 OG SER A 77 2.731 14.864 -8.389 1.00 0.00 O ATOM 0 H SER A 77 -0.268 12.337 -9.892 1.00 0.00 H new ATOM 0 HA SER A 77 0.655 15.114 -9.636 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.759 13.078 -8.075 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.822 13.115 -9.468 1.00 0.00 H new ATOM 0 HG SER A 77 3.573 14.615 -7.953 1.00 0.00 H new ATOM 1236 N THR A 78 1.986 14.876 -11.815 1.00 0.00 N ATOM 1237 CA THR A 78 2.410 14.825 -13.211 1.00 0.00 C ATOM 1238 C THR A 78 3.930 14.677 -13.333 1.00 0.00 C ATOM 1239 O THR A 78 4.409 13.765 -14.008 1.00 0.00 O ATOM 1240 CB THR A 78 1.952 16.075 -13.990 1.00 0.00 C ATOM 1241 OG1 THR A 78 1.048 16.847 -13.190 1.00 0.00 O ATOM 1242 CG2 THR A 78 1.274 15.683 -15.295 1.00 0.00 C ATOM 0 H THR A 78 2.265 15.723 -11.320 1.00 0.00 H new ATOM 0 HA THR A 78 1.935 13.946 -13.647 1.00 0.00 H new ATOM 0 HB THR A 78 2.833 16.673 -14.223 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.763 17.640 -13.691 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.960 16.582 -15.826 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.974 15.121 -15.914 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.402 15.065 -15.081 1.00 0.00 H new ATOM 1250 N PRO A 79 4.722 15.566 -12.690 1.00 0.00 N ATOM 1251 CA PRO A 79 6.180 15.502 -12.752 1.00 0.00 C ATOM 1252 C PRO A 79 6.770 14.557 -11.709 1.00 0.00 C ATOM 1253 O PRO A 79 6.100 14.187 -10.743 1.00 0.00 O ATOM 1254 CB PRO A 79 6.587 16.942 -12.461 1.00 0.00 C ATOM 1255 CG PRO A 79 5.541 17.443 -11.524 1.00 0.00 C ATOM 1256 CD PRO A 79 4.269 16.700 -11.856 1.00 0.00 C ATOM 0 HA PRO A 79 6.539 15.118 -13.707 1.00 0.00 H new ATOM 0 HB2 PRO A 79 7.579 16.991 -12.012 1.00 0.00 H new ATOM 0 HB3 PRO A 79 6.621 17.537 -13.374 1.00 0.00 H new ATOM 0 HG2 PRO A 79 5.833 17.267 -10.489 1.00 0.00 H new ATOM 0 HG3 PRO A 79 5.402 18.518 -11.638 1.00 0.00 H new ATOM 0 HD2 PRO A 79 3.762 16.355 -10.955 1.00 0.00 H new ATOM 0 HD3 PRO A 79 3.565 17.335 -12.394 1.00 0.00 H new ATOM 1264 N GLY A 80 8.028 14.172 -11.907 1.00 0.00 N ATOM 1265 CA GLY A 80 8.687 13.275 -10.974 1.00 0.00 C ATOM 1266 C GLY A 80 9.869 12.554 -11.594 1.00 0.00 C ATOM 1267 O GLY A 80 10.364 12.952 -12.649 1.00 0.00 O ATOM 0 H GLY A 80 8.603 14.465 -12.697 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.026 13.843 -10.108 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.967 12.541 -10.612 1.00 0.00 H new ATOM 1271 N SER A 81 10.323 11.490 -10.936 1.00 0.00 N ATOM 1272 CA SER A 81 11.455 10.712 -11.426 1.00 0.00 C ATOM 1273 C SER A 81 11.081 9.926 -12.680 1.00 0.00 C ATOM 1274 O SER A 81 11.930 9.276 -13.293 1.00 0.00 O ATOM 1275 CB SER A 81 11.950 9.755 -10.339 1.00 0.00 C ATOM 1276 OG SER A 81 10.925 8.863 -9.939 1.00 0.00 O ATOM 0 H SER A 81 9.923 11.148 -10.062 1.00 0.00 H new ATOM 0 HA SER A 81 12.254 11.407 -11.683 1.00 0.00 H new ATOM 0 HB2 SER A 81 12.804 9.189 -10.710 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.296 10.326 -9.477 1.00 0.00 H new ATOM 0 HG SER A 81 11.267 8.261 -9.245 1.00 0.00 H new ATOM 1282 N ARG A 82 9.807 9.990 -13.057 1.00 0.00 N ATOM 1283 CA ARG A 82 9.321 9.287 -14.239 1.00 0.00 C ATOM 1284 C ARG A 82 10.041 9.768 -15.496 1.00 0.00 C ATOM 1285 O ARG A 82 9.746 10.844 -16.017 1.00 0.00 O ATOM 1286 CB ARG A 82 7.814 9.489 -14.399 1.00 0.00 C ATOM 1287 CG ARG A 82 7.032 9.293 -13.110 1.00 0.00 C ATOM 1288 CD ARG A 82 5.578 8.946 -13.389 1.00 0.00 C ATOM 1289 NE ARG A 82 5.023 9.737 -14.485 1.00 0.00 N ATOM 1290 CZ ARG A 82 3.893 9.433 -15.117 1.00 0.00 C ATOM 1291 NH1 ARG A 82 3.202 8.356 -14.765 1.00 0.00 N ATOM 1292 NH2 ARG A 82 3.454 10.204 -16.101 1.00 0.00 N ATOM 0 H ARG A 82 9.093 10.522 -12.560 1.00 0.00 H new ATOM 0 HA ARG A 82 9.528 8.225 -14.104 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.629 10.495 -14.777 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.440 8.793 -15.150 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.491 8.498 -12.522 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.082 10.202 -12.511 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.499 7.886 -13.632 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.987 9.112 -12.488 1.00 0.00 H new ATOM 0 HE ARG A 82 5.531 10.570 -14.782 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.537 7.760 -14.008 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.336 8.125 -15.251 1.00 0.00 H new ATOM 0 HH21 ARG A 82 3.983 11.032 -16.375 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.587 9.969 -16.585 1.00 0.00 H new ATOM 1306 N SER A 83 10.983 8.965 -15.979 1.00 0.00 N ATOM 1307 CA SER A 83 11.742 9.309 -17.177 1.00 0.00 C ATOM 1308 C SER A 83 10.931 9.015 -18.435 1.00 0.00 C ATOM 1309 O SER A 83 9.731 8.748 -18.363 1.00 0.00 O ATOM 1310 CB SER A 83 13.062 8.535 -17.211 1.00 0.00 C ATOM 1311 OG SER A 83 12.834 7.137 -17.241 1.00 0.00 O ATOM 0 H SER A 83 11.240 8.071 -15.560 1.00 0.00 H new ATOM 0 HA SER A 83 11.958 10.377 -17.147 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.638 8.831 -18.088 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.659 8.790 -16.336 1.00 0.00 H new ATOM 0 HG SER A 83 13.693 6.666 -17.264 1.00 0.00 H new ATOM 1317 N HIS A 84 11.593 9.068 -19.588 1.00 0.00 N ATOM 1318 CA HIS A 84 10.929 8.807 -20.860 1.00 0.00 C ATOM 1319 C HIS A 84 10.982 7.323 -21.207 1.00 0.00 C ATOM 1320 O HIS A 84 11.781 6.897 -22.041 1.00 0.00 O ATOM 1321 CB HIS A 84 11.577 9.628 -21.977 1.00 0.00 C ATOM 1322 CG HIS A 84 10.590 10.387 -22.809 1.00 0.00 C ATOM 1323 ND1 HIS A 84 9.391 10.807 -22.290 1.00 0.00 N ATOM 1324 CD2 HIS A 84 10.672 10.770 -24.107 1.00 0.00 C ATOM 1325 CE1 HIS A 84 8.771 11.434 -23.274 1.00 0.00 C ATOM 1326 NE2 HIS A 84 9.509 11.438 -24.395 1.00 0.00 N ATOM 0 H HIS A 84 12.586 9.289 -19.667 1.00 0.00 H new ATOM 0 HA HIS A 84 9.884 9.102 -20.762 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.285 10.330 -21.537 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.148 8.961 -22.623 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.494 10.585 -24.783 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.794 11.886 -23.187 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.254 11.857 -25.289 1.00 0.00 H new ATOM 1334 N HIS A 85 10.125 6.540 -20.559 1.00 0.00 N ATOM 1335 CA HIS A 85 10.072 5.103 -20.798 1.00 0.00 C ATOM 1336 C HIS A 85 9.366 4.799 -22.115 1.00 0.00 C ATOM 1337 O HIS A 85 8.430 5.498 -22.505 1.00 0.00 O ATOM 1338 CB HIS A 85 9.354 4.399 -19.646 1.00 0.00 C ATOM 1339 CG HIS A 85 10.270 3.958 -18.547 1.00 0.00 C ATOM 1340 ND1 HIS A 85 10.216 4.527 -17.300 1.00 0.00 N ATOM 1341 CD2 HIS A 85 11.235 3.007 -18.560 1.00 0.00 C ATOM 1342 CE1 HIS A 85 11.142 3.915 -16.583 1.00 0.00 C ATOM 1343 NE2 HIS A 85 11.786 2.985 -17.304 1.00 0.00 N ATOM 0 H HIS A 85 9.458 6.877 -19.865 1.00 0.00 H new ATOM 0 HA HIS A 85 11.095 4.731 -20.859 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.602 5.071 -19.233 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.824 3.530 -20.036 1.00 0.00 H new ATOM 0 HD2 HIS A 85 11.516 2.386 -19.398 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.354 4.136 -15.547 1.00 0.00 H new ATOM 0 HE2 HIS A 85 12.540 2.379 -16.981 1.00 0.00 H new ATOM 1351 N HIS A 86 9.820 3.753 -22.796 1.00 0.00 N ATOM 1352 CA HIS A 86 9.233 3.356 -24.071 1.00 0.00 C ATOM 1353 C HIS A 86 9.619 1.925 -24.427 1.00 0.00 C ATOM 1354 O HIS A 86 10.435 1.304 -23.747 1.00 0.00 O ATOM 1355 CB HIS A 86 9.683 4.307 -25.181 1.00 0.00 C ATOM 1356 CG HIS A 86 8.560 5.079 -25.799 1.00 0.00 C ATOM 1357 ND1 HIS A 86 7.342 4.497 -26.047 1.00 0.00 N ATOM 1358 CD2 HIS A 86 8.521 6.375 -26.196 1.00 0.00 C ATOM 1359 CE1 HIS A 86 6.591 5.440 -26.585 1.00 0.00 C ATOM 1360 NE2 HIS A 86 7.262 6.597 -26.695 1.00 0.00 N ATOM 0 H HIS A 86 10.593 3.164 -22.487 1.00 0.00 H new ATOM 0 HA HIS A 86 8.149 3.407 -23.974 1.00 0.00 H new ATOM 0 HB2 HIS A 86 10.414 5.007 -24.775 1.00 0.00 H new ATOM 0 HB3 HIS A 86 10.189 3.733 -25.957 1.00 0.00 H new ATOM 0 HD2 HIS A 86 9.325 7.093 -26.132 1.00 0.00 H new ATOM 0 HE1 HIS A 86 5.567 5.298 -26.897 1.00 0.00 H new ATOM 0 HE2 HIS A 86 6.905 7.473 -27.076 1.00 0.00 H new ATOM 1368 N HIS A 87 9.026 1.409 -25.500 1.00 0.00 N ATOM 1369 CA HIS A 87 9.308 0.053 -25.953 1.00 0.00 C ATOM 1370 C HIS A 87 10.227 0.071 -27.169 1.00 0.00 C ATOM 1371 O HIS A 87 10.533 -0.973 -27.745 1.00 0.00 O ATOM 1372 CB HIS A 87 8.006 -0.676 -26.294 1.00 0.00 C ATOM 1373 CG HIS A 87 7.018 -0.699 -25.168 1.00 0.00 C ATOM 1374 ND1 HIS A 87 7.302 -1.323 -23.978 1.00 0.00 N ATOM 1375 CD2 HIS A 87 5.773 -0.168 -25.104 1.00 0.00 C ATOM 1376 CE1 HIS A 87 6.233 -1.160 -23.219 1.00 0.00 C ATOM 1377 NE2 HIS A 87 5.279 -0.467 -23.860 1.00 0.00 N ATOM 0 H HIS A 87 8.347 1.911 -26.072 1.00 0.00 H new ATOM 0 HA HIS A 87 9.811 -0.478 -25.145 1.00 0.00 H new ATOM 0 HB2 HIS A 87 7.547 -0.197 -27.159 1.00 0.00 H new ATOM 0 HB3 HIS A 87 8.238 -1.701 -26.583 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.267 0.384 -25.882 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.139 -1.536 -22.211 1.00 0.00 H new ATOM 0 HE2 HIS A 87 4.362 -0.212 -23.492 1.00 0.00 H new ATOM 1385 N HIS A 88 10.662 1.268 -27.555 1.00 0.00 N ATOM 1386 CA HIS A 88 11.547 1.428 -28.703 1.00 0.00 C ATOM 1387 C HIS A 88 12.922 0.830 -28.419 1.00 0.00 C ATOM 1388 O HIS A 88 13.190 0.372 -27.308 1.00 0.00 O ATOM 1389 CB HIS A 88 11.688 2.909 -29.065 1.00 0.00 C ATOM 1390 CG HIS A 88 10.603 3.413 -29.967 1.00 0.00 C ATOM 1391 ND1 HIS A 88 9.946 2.575 -30.836 1.00 0.00 N ATOM 1392 CD2 HIS A 88 10.105 4.666 -30.098 1.00 0.00 C ATOM 1393 CE1 HIS A 88 9.069 3.330 -31.474 1.00 0.00 C ATOM 1394 NE2 HIS A 88 9.129 4.606 -31.060 1.00 0.00 N ATOM 0 H HIS A 88 10.415 2.141 -27.089 1.00 0.00 H new ATOM 0 HA HIS A 88 11.105 0.896 -29.545 1.00 0.00 H new ATOM 0 HB2 HIS A 88 11.691 3.499 -28.149 1.00 0.00 H new ATOM 0 HB3 HIS A 88 12.652 3.066 -29.548 1.00 0.00 H new ATOM 0 HD2 HIS A 88 10.416 5.543 -29.550 1.00 0.00 H new ATOM 0 HE1 HIS A 88 8.390 2.967 -32.232 1.00 0.00 H new ATOM 0 HE2 HIS A 88 8.558 5.382 -31.396 1.00 0.00 H new ATOM 1402 N HIS A 89 13.785 0.839 -29.431 1.00 0.00 N ATOM 1403 CA HIS A 89 15.135 0.300 -29.299 1.00 0.00 C ATOM 1404 C HIS A 89 15.101 -1.152 -28.821 1.00 0.00 C ATOM 1405 O HIS A 89 14.434 -1.975 -29.484 1.00 0.00 O ATOM 1406 CB HIS A 89 15.959 1.154 -28.330 1.00 0.00 C ATOM 1407 CG HIS A 89 17.250 1.648 -28.910 1.00 0.00 C ATOM 1408 ND1 HIS A 89 17.826 2.817 -28.476 1.00 0.00 N ATOM 1409 CD2 HIS A 89 18.031 1.102 -29.875 1.00 0.00 C ATOM 1410 CE1 HIS A 89 18.937 2.957 -29.179 1.00 0.00 C ATOM 1411 NE2 HIS A 89 19.102 1.941 -30.039 1.00 0.00 N ATOM 1412 OXT HIS A 89 15.740 -1.454 -27.791 1.00 0.00 O ATOM 0 H HIS A 89 13.572 1.215 -30.355 1.00 0.00 H new ATOM 0 HA HIS A 89 15.606 0.326 -30.282 1.00 0.00 H new ATOM 0 HB2 HIS A 89 15.361 2.010 -28.015 1.00 0.00 H new ATOM 0 HB3 HIS A 89 16.173 0.569 -27.436 1.00 0.00 H new ATOM 0 HD2 HIS A 89 17.845 0.183 -30.411 1.00 0.00 H new ATOM 0 HE1 HIS A 89 19.624 3.784 -29.074 1.00 0.00 H new ATOM 0 HE2 HIS A 89 19.877 1.817 -30.691 1.00 0.00 H new TER 1420 HIS A 89