USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 249 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 107 LYS NZ :NH3+ -131:sc= 0.152 (180deg=0) USER MOD Set 1.2: A 108 HIS : no HD1:sc=-0.00214 X(o=0.15,f=-0.29) USER MOD Set 2.1: A 73 SER OG : rot -171:sc= 0.911 USER MOD Set 2.2: A 74 SER OG : rot 68:sc= -1.13 USER MOD Set 2.3: A 93 ASN : amide:sc= 0 X(o=-0.22,f=-0.22) USER MOD Set 3.1: A 59 ASN : amide:sc= 1.5 X(o=-1.3,f=-1.3) USER MOD Set 3.2: A 64 GLN : amide:sc= -3.58! C(o=-1.3!,f=-0.65!) USER MOD Set 3.3: A 66 THR OG1 : rot 180:sc= 0.816 USER MOD Set 4.1: A 46 SER OG : rot 37:sc= 0.0965 USER MOD Set 4.2: A 51 SER OG : rot 121:sc= -1.98! USER MOD Set 5.1: A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 3 MET CE :methyl -159:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 155:sc= -0.404 (180deg=-1.32) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.525 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 113:sc= -0.455 USER MOD Single : A 23 TYR OH : rot -5:sc= 0.193 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=0.58) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 39 SER OG : rot -66:sc= 0.261 USER MOD Single : A 42 LYS NZ :NH3+ 167:sc= 1.47 (180deg=1.33) USER MOD Single : A 47 THR OG1 : rot 164:sc= -0.0341 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0193 USER MOD Single : A 53 TYR OH : rot 130:sc= -0.698 USER MOD Single : A 56 LYS NZ :NH3+ -162:sc=-0.00669 (180deg=-0.153) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : A 62 HIS : no HE2:sc= -0.535 K(o=-0.53,f=-2.8!) USER MOD Single : A 63 LYS NZ :NH3+ -162:sc= -0.0303 (180deg=-0.219) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -2.53! C(o=-2.5!,f=-4.1!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.0196 X(o=-0.02,f=-0.29) USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 83 ASN : amide:sc= -0.0735 K(o=-0.073,f=-2.8!) USER MOD Single : A 85 ASN : amide:sc= -0.0626 K(o=-0.063,f=-2.1!) USER MOD Single : A 86 LYS NZ :NH3+ -162:sc= -0.947 (180deg=-1.65!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 167:sc= 0 (180deg=-0.206) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.504 USER MOD Single : A 99 THR OG1 : rot -108:sc= 0.585 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -146:sc= -0.115 (180deg=-0.828) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.960 -15.028 -3.161 1.00 0.00 N ATOM 2 CA GLY A 1 -3.293 -16.154 -3.856 1.00 0.00 C ATOM 3 C GLY A 1 -2.180 -15.738 -4.841 1.00 0.00 C ATOM 4 O GLY A 1 -1.000 -15.736 -4.490 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.691 -15.399 -2.521 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.257 -14.494 -2.611 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.401 -14.399 -3.862 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.866 -16.822 -3.108 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.046 -16.724 -4.400 1.00 0.00 H new ATOM 8 N SER A 2 -2.575 -15.493 -6.087 1.00 0.00 N ATOM 9 CA SER A 2 -1.673 -15.006 -7.155 1.00 0.00 C ATOM 10 C SER A 2 -1.360 -13.511 -7.004 1.00 0.00 C ATOM 11 O SER A 2 -2.239 -12.710 -6.693 1.00 0.00 O ATOM 12 CB SER A 2 -2.309 -15.220 -8.533 1.00 0.00 C ATOM 13 OG SER A 2 -2.676 -16.593 -8.699 1.00 0.00 O ATOM 0 H SER A 2 -3.537 -15.625 -6.398 1.00 0.00 H new ATOM 0 HA SER A 2 -0.748 -15.576 -7.066 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.189 -14.585 -8.638 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.609 -14.926 -9.315 1.00 0.00 H new ATOM 0 HG SER A 2 -3.083 -16.718 -9.582 1.00 0.00 H new ATOM 16 N MET A 3 -0.079 -13.184 -7.164 1.00 0.00 N ATOM 17 CA MET A 3 0.427 -11.792 -7.146 1.00 0.00 C ATOM 18 C MET A 3 1.368 -11.489 -8.328 1.00 0.00 C ATOM 19 O MET A 3 1.589 -12.336 -9.192 1.00 0.00 O ATOM 20 CB MET A 3 1.123 -11.477 -5.811 1.00 0.00 C ATOM 21 CG MET A 3 0.160 -11.246 -4.644 1.00 0.00 C ATOM 22 SD MET A 3 -0.475 -12.785 -3.887 1.00 0.00 S ATOM 23 CE MET A 3 -1.750 -12.116 -2.843 1.00 0.00 C ATOM 0 H MET A 3 0.654 -13.878 -7.312 1.00 0.00 H new ATOM 0 HA MET A 3 -0.442 -11.143 -7.253 1.00 0.00 H new ATOM 0 HB2 MET A 3 1.792 -12.300 -5.559 1.00 0.00 H new ATOM 0 HB3 MET A 3 1.743 -10.590 -5.937 1.00 0.00 H new ATOM 0 HG2 MET A 3 0.668 -10.659 -3.878 1.00 0.00 H new ATOM 0 HG3 MET A 3 -0.683 -10.651 -4.995 1.00 0.00 H new ATOM 0 HE1 MET A 3 -1.984 -12.829 -2.052 1.00 0.00 H new ATOM 0 HE2 MET A 3 -1.405 -11.182 -2.400 1.00 0.00 H new ATOM 0 HE3 MET A 3 -2.644 -11.927 -3.437 1.00 0.00 H new ATOM 25 N GLU A 4 1.925 -10.273 -8.327 1.00 0.00 N ATOM 26 CA GLU A 4 2.891 -9.752 -9.325 1.00 0.00 C ATOM 27 C GLU A 4 2.390 -9.702 -10.785 1.00 0.00 C ATOM 28 O GLU A 4 3.120 -9.923 -11.751 1.00 0.00 O ATOM 29 CB GLU A 4 4.266 -10.426 -9.176 1.00 0.00 C ATOM 30 CG GLU A 4 4.937 -9.998 -7.868 1.00 0.00 C ATOM 31 CD GLU A 4 6.377 -10.505 -7.769 1.00 0.00 C ATOM 32 OE1 GLU A 4 7.261 -9.792 -8.292 1.00 0.00 O ATOM 33 OE2 GLU A 4 6.568 -11.560 -7.126 1.00 0.00 O ATOM 0 H GLU A 4 1.711 -9.588 -7.602 1.00 0.00 H new ATOM 0 HA GLU A 4 3.005 -8.696 -9.080 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.150 -11.510 -9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.901 -10.160 -10.021 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.930 -8.910 -7.796 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.361 -10.377 -7.024 1.00 0.00 H new ATOM 35 N GLN A 5 1.119 -9.317 -10.872 1.00 0.00 N ATOM 36 CA GLN A 5 0.324 -9.020 -12.082 1.00 0.00 C ATOM 37 C GLN A 5 -0.976 -8.364 -11.602 1.00 0.00 C ATOM 38 O GLN A 5 -1.583 -8.859 -10.652 1.00 0.00 O ATOM 39 CB GLN A 5 -0.031 -10.289 -12.869 1.00 0.00 C ATOM 40 CG GLN A 5 0.946 -10.538 -14.023 1.00 0.00 C ATOM 41 CD GLN A 5 0.659 -11.856 -14.747 1.00 0.00 C ATOM 42 OE1 GLN A 5 -0.404 -12.112 -15.293 1.00 0.00 O ATOM 43 NE2 GLN A 5 1.655 -12.711 -14.805 1.00 0.00 N ATOM 0 H GLN A 5 0.561 -9.191 -10.028 1.00 0.00 H new ATOM 0 HA GLN A 5 0.904 -8.378 -12.745 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.025 -11.147 -12.197 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.043 -10.200 -13.263 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.884 -9.714 -14.734 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.966 -10.551 -13.638 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.541 -12.494 -14.348 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.542 -13.592 -15.307 1.00 0.00 H new ATOM 47 N PHE A 6 -1.149 -7.111 -12.021 1.00 0.00 N ATOM 48 CA PHE A 6 -2.339 -6.272 -11.745 1.00 0.00 C ATOM 49 C PHE A 6 -2.554 -5.994 -10.245 1.00 0.00 C ATOM 50 O PHE A 6 -3.256 -6.704 -9.528 1.00 0.00 O ATOM 51 CB PHE A 6 -3.587 -6.892 -12.395 1.00 0.00 C ATOM 52 CG PHE A 6 -4.770 -5.925 -12.495 1.00 0.00 C ATOM 53 CD1 PHE A 6 -4.633 -4.708 -13.156 1.00 0.00 C ATOM 54 CD2 PHE A 6 -6.023 -6.340 -12.065 1.00 0.00 C ATOM 55 CE1 PHE A 6 -5.747 -3.911 -13.381 1.00 0.00 C ATOM 56 CE2 PHE A 6 -7.138 -5.543 -12.292 1.00 0.00 C ATOM 57 CZ PHE A 6 -7.000 -4.324 -12.947 1.00 0.00 C ATOM 0 H PHE A 6 -0.448 -6.626 -12.581 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.156 -5.297 -12.196 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -3.330 -7.243 -13.394 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.890 -7.766 -11.819 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.660 -4.384 -13.494 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.131 -7.285 -11.553 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.639 -2.967 -13.895 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -8.112 -5.870 -11.960 1.00 0.00 H new ATOM 0 HZ PHE A 6 -7.865 -3.700 -13.118 1.00 0.00 H new ATOM 64 N GLU A 7 -1.926 -4.913 -9.796 1.00 0.00 N ATOM 65 CA GLU A 7 -1.980 -4.488 -8.383 1.00 0.00 C ATOM 66 C GLU A 7 -2.632 -3.111 -8.212 1.00 0.00 C ATOM 67 O GLU A 7 -2.003 -2.075 -8.415 1.00 0.00 O ATOM 68 CB GLU A 7 -0.585 -4.517 -7.755 1.00 0.00 C ATOM 69 CG GLU A 7 -0.121 -5.943 -7.458 1.00 0.00 C ATOM 70 CD GLU A 7 1.193 -5.932 -6.678 1.00 0.00 C ATOM 71 OE1 GLU A 7 1.128 -5.617 -5.470 1.00 0.00 O ATOM 72 OE2 GLU A 7 2.211 -6.355 -7.269 1.00 0.00 O ATOM 0 H GLU A 7 -1.365 -4.302 -10.390 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.612 -5.203 -7.857 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.126 -4.037 -8.428 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.591 -3.938 -6.832 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -0.886 -6.468 -6.885 1.00 0.00 H new ATOM 0 HG3 GLU A 7 0.009 -6.490 -8.392 1.00 0.00 H new ATOM 74 N LEU A 8 -3.908 -3.151 -7.850 1.00 0.00 N ATOM 75 CA LEU A 8 -4.733 -1.939 -7.668 1.00 0.00 C ATOM 76 C LEU A 8 -5.034 -1.721 -6.176 1.00 0.00 C ATOM 77 O LEU A 8 -5.595 -2.585 -5.501 1.00 0.00 O ATOM 78 CB LEU A 8 -6.013 -2.102 -8.499 1.00 0.00 C ATOM 79 CG LEU A 8 -6.792 -0.801 -8.746 1.00 0.00 C ATOM 80 CD1 LEU A 8 -7.664 -0.979 -9.989 1.00 0.00 C ATOM 81 CD2 LEU A 8 -7.698 -0.432 -7.568 1.00 0.00 C ATOM 0 H LEU A 8 -4.411 -4.020 -7.671 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.201 -1.053 -8.013 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.751 -2.540 -9.462 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.669 -2.811 -7.994 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.065 0.001 -8.876 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.223 -0.062 -10.176 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.031 -1.200 -10.849 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.360 -1.802 -9.830 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.227 0.495 -7.792 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.421 -1.231 -7.401 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.093 -0.297 -6.672 1.00 0.00 H new ATOM 83 N PHE A 9 -4.585 -0.569 -5.693 1.00 0.00 N ATOM 84 CA PHE A 9 -4.785 -0.139 -4.292 1.00 0.00 C ATOM 85 C PHE A 9 -5.437 1.255 -4.211 1.00 0.00 C ATOM 86 O PHE A 9 -5.142 2.136 -5.016 1.00 0.00 O ATOM 87 CB PHE A 9 -3.436 -0.152 -3.558 1.00 0.00 C ATOM 88 CG PHE A 9 -2.743 -1.522 -3.592 1.00 0.00 C ATOM 89 CD1 PHE A 9 -3.081 -2.498 -2.664 1.00 0.00 C ATOM 90 CD2 PHE A 9 -1.722 -1.763 -4.505 1.00 0.00 C ATOM 91 CE1 PHE A 9 -2.390 -3.704 -2.628 1.00 0.00 C ATOM 92 CE2 PHE A 9 -1.035 -2.971 -4.471 1.00 0.00 C ATOM 93 CZ PHE A 9 -1.361 -3.941 -3.532 1.00 0.00 C ATOM 0 H PHE A 9 -4.067 0.106 -6.256 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.468 -0.839 -3.810 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.778 0.592 -4.007 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.591 0.144 -2.521 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.885 -2.319 -1.966 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.464 -1.014 -5.238 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.652 -4.456 -1.898 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.242 -3.157 -5.180 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.818 -4.874 -3.504 1.00 0.00 H new ATOM 100 N SER A 10 -6.316 1.439 -3.229 1.00 0.00 N ATOM 101 CA SER A 10 -7.070 2.707 -3.052 1.00 0.00 C ATOM 102 C SER A 10 -7.083 3.175 -1.586 1.00 0.00 C ATOM 103 O SER A 10 -7.604 2.467 -0.723 1.00 0.00 O ATOM 104 CB SER A 10 -8.533 2.549 -3.491 1.00 0.00 C ATOM 105 OG SER A 10 -8.645 1.856 -4.739 1.00 0.00 O ATOM 0 H SER A 10 -6.535 0.728 -2.531 1.00 0.00 H new ATOM 0 HA SER A 10 -6.557 3.444 -3.671 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.085 2.006 -2.724 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.994 3.533 -3.580 1.00 0.00 H new ATOM 0 HG SER A 10 -9.590 1.774 -4.984 1.00 0.00 H new ATOM 108 N ILE A 11 -6.504 4.347 -1.319 1.00 0.00 N ATOM 109 CA ILE A 11 -6.498 4.951 0.041 1.00 0.00 C ATOM 110 C ILE A 11 -7.897 5.436 0.484 1.00 0.00 C ATOM 111 O ILE A 11 -8.744 5.712 -0.356 1.00 0.00 O ATOM 112 CB ILE A 11 -5.431 6.065 0.159 1.00 0.00 C ATOM 113 CG1 ILE A 11 -4.965 6.305 1.603 1.00 0.00 C ATOM 114 CG2 ILE A 11 -5.824 7.401 -0.482 1.00 0.00 C ATOM 115 CD1 ILE A 11 -4.131 5.147 2.164 1.00 0.00 C ATOM 0 H ILE A 11 -6.027 4.910 -2.023 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.221 4.159 0.736 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.597 5.666 -0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.376 7.221 1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.836 6.459 2.239 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.015 8.120 -0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.008 7.254 -1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.728 7.781 -0.006 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.832 5.376 3.187 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.725 4.233 2.156 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.242 5.007 1.549 1.00 0.00 H new ATOM 117 N ASP A 12 -8.028 5.693 1.782 1.00 0.00 N ATOM 118 CA ASP A 12 -9.248 6.259 2.400 1.00 0.00 C ATOM 119 C ASP A 12 -9.459 7.783 2.245 1.00 0.00 C ATOM 120 O ASP A 12 -10.375 8.326 2.851 1.00 0.00 O ATOM 121 CB ASP A 12 -9.242 5.868 3.883 1.00 0.00 C ATOM 122 CG ASP A 12 -10.625 5.807 4.550 1.00 0.00 C ATOM 123 OD1 ASP A 12 -11.646 5.937 3.838 1.00 0.00 O ATOM 124 OD2 ASP A 12 -10.614 5.545 5.771 1.00 0.00 O ATOM 0 H ASP A 12 -7.283 5.515 2.455 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.090 5.835 1.853 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.765 4.893 3.983 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.625 6.582 4.428 1.00 0.00 H new ATOM 126 N LYS A 13 -8.634 8.446 1.426 1.00 0.00 N ATOM 127 CA LYS A 13 -8.594 9.923 1.254 1.00 0.00 C ATOM 128 C LYS A 13 -8.693 10.655 2.614 1.00 0.00 C ATOM 129 O LYS A 13 -9.698 11.273 2.962 1.00 0.00 O ATOM 130 CB LYS A 13 -9.706 10.332 0.272 1.00 0.00 C ATOM 131 CG LYS A 13 -9.516 11.636 -0.519 1.00 0.00 C ATOM 132 CD LYS A 13 -9.578 12.919 0.320 1.00 0.00 C ATOM 133 CE LYS A 13 -10.380 14.042 -0.351 1.00 0.00 C ATOM 134 NZ LYS A 13 -9.816 14.477 -1.638 1.00 0.00 N ATOM 0 H LYS A 13 -7.950 7.965 0.842 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.634 10.223 0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.836 9.521 -0.445 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.637 10.413 0.834 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.552 11.598 -1.027 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.282 11.689 -1.293 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.024 12.691 1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.564 13.270 0.511 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.404 13.703 -0.508 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.427 14.897 0.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.405 15.236 -2.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.849 14.830 -1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.795 13.673 -2.297 1.00 0.00 H new ATOM 139 N PHE A 14 -7.649 10.470 3.416 1.00 0.00 N ATOM 140 CA PHE A 14 -7.614 11.029 4.781 1.00 0.00 C ATOM 141 C PHE A 14 -6.269 11.715 5.094 1.00 0.00 C ATOM 142 O PHE A 14 -5.974 12.756 4.513 1.00 0.00 O ATOM 143 CB PHE A 14 -8.037 9.920 5.764 1.00 0.00 C ATOM 144 CG PHE A 14 -8.634 10.453 7.073 1.00 0.00 C ATOM 145 CD1 PHE A 14 -9.522 11.526 7.061 1.00 0.00 C ATOM 146 CD2 PHE A 14 -8.403 9.768 8.260 1.00 0.00 C ATOM 147 CE1 PHE A 14 -10.163 11.920 8.228 1.00 0.00 C ATOM 148 CE2 PHE A 14 -9.051 10.158 9.428 1.00 0.00 C ATOM 149 CZ PHE A 14 -9.928 11.236 9.414 1.00 0.00 C ATOM 0 H PHE A 14 -6.816 9.942 3.155 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.330 11.844 4.886 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.768 9.275 5.277 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.170 9.301 5.995 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.713 12.055 6.139 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.720 8.932 8.276 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.844 12.758 8.214 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.872 9.621 10.348 1.00 0.00 H new ATOM 0 HZ PHE A 14 -10.425 11.541 10.323 1.00 0.00 H new ATOM 156 N LYS A 15 -5.410 11.027 5.850 1.00 0.00 N ATOM 157 CA LYS A 15 -4.062 11.481 6.270 1.00 0.00 C ATOM 158 C LYS A 15 -3.306 10.407 7.074 1.00 0.00 C ATOM 159 O LYS A 15 -2.365 9.817 6.556 1.00 0.00 O ATOM 160 CB LYS A 15 -4.027 12.841 7.005 1.00 0.00 C ATOM 161 CG LYS A 15 -4.937 12.988 8.236 1.00 0.00 C ATOM 162 CD LYS A 15 -6.269 13.711 7.981 1.00 0.00 C ATOM 163 CE LYS A 15 -6.137 15.240 7.921 1.00 0.00 C ATOM 164 NZ LYS A 15 -5.594 15.736 6.647 1.00 0.00 N ATOM 0 H LYS A 15 -5.635 10.098 6.206 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.540 11.645 5.327 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.000 13.032 7.317 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.293 13.620 6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.151 11.995 8.631 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.391 13.528 9.010 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.693 13.354 7.042 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.973 13.446 8.770 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.117 15.687 8.087 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.493 15.573 8.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.910 16.715 6.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.555 15.709 6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.933 15.136 5.868 1.00 0.00 H new ATOM 169 N CYS A 16 -3.924 9.967 8.175 1.00 0.00 N ATOM 170 CA CYS A 16 -3.365 9.002 9.155 1.00 0.00 C ATOM 171 C CYS A 16 -2.060 9.462 9.842 1.00 0.00 C ATOM 172 O CYS A 16 -1.154 8.668 10.098 1.00 0.00 O ATOM 173 CB CYS A 16 -3.294 7.588 8.551 1.00 0.00 C ATOM 174 SG CYS A 16 -4.955 6.820 8.443 1.00 0.00 S ATOM 0 H CYS A 16 -4.862 10.279 8.426 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.069 8.962 9.987 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.850 7.638 7.557 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.642 6.963 9.161 1.00 0.00 H new ATOM 176 N ASN A 17 -2.223 10.620 10.487 1.00 0.00 N ATOM 177 CA ASN A 17 -1.204 11.423 11.206 1.00 0.00 C ATOM 178 C ASN A 17 -0.160 12.061 10.273 1.00 0.00 C ATOM 179 O ASN A 17 -0.371 13.171 9.789 1.00 0.00 O ATOM 180 CB ASN A 17 -0.559 10.668 12.382 1.00 0.00 C ATOM 181 CG ASN A 17 -1.577 10.305 13.463 1.00 0.00 C ATOM 182 OD1 ASN A 17 -1.845 11.052 14.389 1.00 0.00 O ATOM 183 ND2 ASN A 17 -2.172 9.138 13.346 1.00 0.00 N ATOM 0 H ASN A 17 -3.140 11.064 10.529 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.756 12.253 11.646 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.085 9.759 12.012 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.228 11.283 12.818 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.867 8.848 14.034 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.939 8.523 12.567 1.00 0.00 H new ATOM 187 N SER A 18 0.935 11.346 10.018 1.00 0.00 N ATOM 188 CA SER A 18 1.959 11.771 9.041 1.00 0.00 C ATOM 189 C SER A 18 1.550 11.221 7.656 1.00 0.00 C ATOM 190 O SER A 18 0.382 10.893 7.459 1.00 0.00 O ATOM 191 CB SER A 18 3.339 11.294 9.530 1.00 0.00 C ATOM 192 OG SER A 18 4.402 11.761 8.688 1.00 0.00 O ATOM 0 H SER A 18 1.145 10.459 10.476 1.00 0.00 H new ATOM 0 HA SER A 18 2.029 12.855 8.947 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.503 11.645 10.549 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.355 10.205 9.562 1.00 0.00 H new ATOM 0 HG SER A 18 5.260 11.438 9.034 1.00 0.00 H new ATOM 195 N GLU A 19 2.534 11.015 6.780 1.00 0.00 N ATOM 196 CA GLU A 19 2.415 10.575 5.371 1.00 0.00 C ATOM 197 C GLU A 19 1.717 11.624 4.486 1.00 0.00 C ATOM 198 O GLU A 19 0.702 12.212 4.853 1.00 0.00 O ATOM 199 CB GLU A 19 1.779 9.173 5.261 1.00 0.00 C ATOM 200 CG GLU A 19 0.253 9.097 5.096 1.00 0.00 C ATOM 201 CD GLU A 19 -0.357 7.815 5.664 1.00 0.00 C ATOM 202 OE1 GLU A 19 -0.094 7.517 6.853 1.00 0.00 O ATOM 203 OE2 GLU A 19 -1.069 7.139 4.886 1.00 0.00 O ATOM 0 H GLU A 19 3.508 11.159 7.046 1.00 0.00 H new ATOM 0 HA GLU A 19 3.427 10.485 4.977 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.235 8.663 4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.049 8.610 6.154 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.201 9.956 5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.006 9.170 4.037 1.00 0.00 H new ATOM 205 N ALA A 20 2.317 11.823 3.314 1.00 0.00 N ATOM 206 CA ALA A 20 1.882 12.784 2.273 1.00 0.00 C ATOM 207 C ALA A 20 2.835 12.706 1.066 1.00 0.00 C ATOM 208 O ALA A 20 2.740 11.736 0.322 1.00 0.00 O ATOM 209 CB ALA A 20 1.725 14.227 2.793 1.00 0.00 C ATOM 0 H ALA A 20 3.153 11.305 3.042 1.00 0.00 H new ATOM 0 HA ALA A 20 0.881 12.491 1.957 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.405 14.875 1.977 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.979 14.248 3.588 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.680 14.579 3.182 1.00 0.00 H new ATOM 211 N LYS A 21 3.917 13.490 1.090 1.00 0.00 N ATOM 212 CA LYS A 21 4.902 13.596 -0.007 1.00 0.00 C ATOM 213 C LYS A 21 5.548 12.265 -0.434 1.00 0.00 C ATOM 214 O LYS A 21 5.061 11.641 -1.371 1.00 0.00 O ATOM 215 CB LYS A 21 5.933 14.685 0.322 1.00 0.00 C ATOM 216 CG LYS A 21 5.524 16.061 -0.224 1.00 0.00 C ATOM 217 CD LYS A 21 4.264 16.693 0.389 1.00 0.00 C ATOM 218 CE LYS A 21 4.500 17.282 1.782 1.00 0.00 C ATOM 219 NZ LYS A 21 3.311 18.018 2.238 1.00 0.00 N ATOM 0 H LYS A 21 4.144 14.084 1.887 1.00 0.00 H new ATOM 0 HA LYS A 21 4.346 13.893 -0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.058 14.748 1.403 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.900 14.404 -0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.357 16.748 -0.077 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.372 15.970 -1.300 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.901 17.479 -0.274 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.480 15.939 0.449 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.733 16.483 2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.362 17.949 1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.488 18.411 3.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.106 18.792 1.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.497 17.372 2.278 1.00 0.00 H new ATOM 224 N TYR A 22 6.517 11.778 0.345 1.00 0.00 N ATOM 225 CA TYR A 22 7.179 10.477 0.097 1.00 0.00 C ATOM 226 C TYR A 22 6.200 9.296 -0.085 1.00 0.00 C ATOM 227 O TYR A 22 6.424 8.428 -0.923 1.00 0.00 O ATOM 228 CB TYR A 22 8.224 10.203 1.192 1.00 0.00 C ATOM 229 CG TYR A 22 7.668 9.725 2.536 1.00 0.00 C ATOM 230 CD1 TYR A 22 6.804 10.500 3.310 1.00 0.00 C ATOM 231 CD2 TYR A 22 8.005 8.445 2.954 1.00 0.00 C ATOM 232 CE1 TYR A 22 6.277 9.988 4.488 1.00 0.00 C ATOM 233 CE2 TYR A 22 7.475 7.932 4.125 1.00 0.00 C ATOM 234 CZ TYR A 22 6.623 8.707 4.898 1.00 0.00 C ATOM 235 OH TYR A 22 6.164 8.219 6.079 1.00 0.00 O ATOM 0 H TYR A 22 6.871 12.267 1.167 1.00 0.00 H new ATOM 0 HA TYR A 22 7.686 10.558 -0.865 1.00 0.00 H new ATOM 0 HB2 TYR A 22 8.923 9.453 0.822 1.00 0.00 H new ATOM 0 HB3 TYR A 22 8.795 11.116 1.360 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.545 11.499 2.993 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.683 7.847 2.363 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.601 10.584 5.083 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.725 6.929 4.437 1.00 0.00 H new ATOM 0 HH TYR A 22 5.542 7.481 5.908 1.00 0.00 H new ATOM 242 N TYR A 23 5.064 9.352 0.614 1.00 0.00 N ATOM 243 CA TYR A 23 3.924 8.455 0.338 1.00 0.00 C ATOM 244 C TYR A 23 3.412 8.564 -1.100 1.00 0.00 C ATOM 245 O TYR A 23 3.795 7.726 -1.907 1.00 0.00 O ATOM 246 CB TYR A 23 2.795 8.536 1.373 1.00 0.00 C ATOM 247 CG TYR A 23 2.989 7.504 2.490 1.00 0.00 C ATOM 248 CD1 TYR A 23 4.232 7.335 3.089 1.00 0.00 C ATOM 249 CD2 TYR A 23 1.906 6.760 2.947 1.00 0.00 C ATOM 250 CE1 TYR A 23 4.382 6.461 4.147 1.00 0.00 C ATOM 251 CE2 TYR A 23 2.055 5.890 4.023 1.00 0.00 C ATOM 252 CZ TYR A 23 3.300 5.745 4.625 1.00 0.00 C ATOM 253 OH TYR A 23 3.522 4.879 5.643 1.00 0.00 O ATOM 0 H TYR A 23 4.903 10.008 1.378 1.00 0.00 H new ATOM 0 HA TYR A 23 4.334 7.451 0.445 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.763 9.538 1.802 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.836 8.368 0.882 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.084 7.890 2.725 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.945 6.858 2.464 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.352 6.336 4.605 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.207 5.330 4.389 1.00 0.00 H new ATOM 0 HH TYR A 23 4.482 4.841 5.837 1.00 0.00 H new ATOM 260 N LEU A 24 2.773 9.673 -1.468 1.00 0.00 N ATOM 261 CA LEU A 24 2.213 9.851 -2.824 1.00 0.00 C ATOM 262 C LEU A 24 3.259 9.648 -3.939 1.00 0.00 C ATOM 263 O LEU A 24 3.062 8.786 -4.787 1.00 0.00 O ATOM 264 CB LEU A 24 1.449 11.182 -2.947 1.00 0.00 C ATOM 265 CG LEU A 24 2.284 12.467 -3.017 1.00 0.00 C ATOM 266 CD1 LEU A 24 2.576 12.860 -4.469 1.00 0.00 C ATOM 267 CD2 LEU A 24 1.560 13.604 -2.297 1.00 0.00 C ATOM 0 H LEU A 24 2.625 10.470 -0.849 1.00 0.00 H new ATOM 0 HA LEU A 24 1.484 9.055 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.828 11.134 -3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.774 11.264 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 24 3.236 12.280 -2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.169 13.774 -4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.130 12.059 -4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.637 13.027 -4.997 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.161 14.511 -2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.595 13.779 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.407 13.334 -1.252 1.00 0.00 H new ATOM 269 N ASN A 25 4.463 10.168 -3.713 1.00 0.00 N ATOM 270 CA ASN A 25 5.611 10.027 -4.629 1.00 0.00 C ATOM 271 C ASN A 25 6.040 8.588 -4.959 1.00 0.00 C ATOM 272 O ASN A 25 6.726 8.375 -5.958 1.00 0.00 O ATOM 273 CB ASN A 25 6.802 10.808 -4.066 1.00 0.00 C ATOM 274 CG ASN A 25 6.685 12.304 -4.355 1.00 0.00 C ATOM 275 OD1 ASN A 25 6.048 13.073 -3.650 1.00 0.00 O ATOM 276 ND2 ASN A 25 7.320 12.724 -5.425 1.00 0.00 N ATOM 0 H ASN A 25 4.680 10.710 -2.876 1.00 0.00 H new ATOM 0 HA ASN A 25 5.268 10.433 -5.581 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.865 10.649 -2.989 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.726 10.425 -4.499 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.288 13.710 -5.683 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.845 12.064 -5.998 1.00 0.00 H new ATOM 280 N ILE A 26 5.793 7.661 -4.030 1.00 0.00 N ATOM 281 CA ILE A 26 6.146 6.240 -4.220 1.00 0.00 C ATOM 282 C ILE A 26 4.923 5.295 -4.261 1.00 0.00 C ATOM 283 O ILE A 26 4.910 4.378 -5.074 1.00 0.00 O ATOM 284 CB ILE A 26 7.295 5.844 -3.255 1.00 0.00 C ATOM 285 CG1 ILE A 26 8.592 6.594 -3.580 1.00 0.00 C ATOM 286 CG2 ILE A 26 7.658 4.359 -3.297 1.00 0.00 C ATOM 287 CD1 ILE A 26 8.729 7.962 -2.908 1.00 0.00 C ATOM 0 H ILE A 26 5.349 7.864 -3.134 1.00 0.00 H new ATOM 0 HA ILE A 26 6.548 6.107 -5.224 1.00 0.00 H new ATOM 0 HB ILE A 26 6.903 6.103 -2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.438 5.973 -3.284 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.657 6.727 -4.660 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.469 4.163 -2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.787 3.764 -3.022 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.977 4.091 -4.304 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.677 8.416 -3.197 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.907 8.606 -3.222 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.700 7.840 -1.825 1.00 0.00 H new ATOM 289 N ILE A 27 3.856 5.561 -3.505 1.00 0.00 N ATOM 290 CA ILE A 27 2.617 4.747 -3.560 1.00 0.00 C ATOM 291 C ILE A 27 1.613 5.196 -4.648 1.00 0.00 C ATOM 292 O ILE A 27 1.066 4.362 -5.368 1.00 0.00 O ATOM 293 CB ILE A 27 1.969 4.585 -2.163 1.00 0.00 C ATOM 294 CG1 ILE A 27 0.968 3.417 -2.201 1.00 0.00 C ATOM 295 CG2 ILE A 27 1.354 5.887 -1.620 1.00 0.00 C ATOM 296 CD1 ILE A 27 0.288 3.060 -0.873 1.00 0.00 C ATOM 0 H ILE A 27 3.815 6.335 -2.842 1.00 0.00 H new ATOM 0 HA ILE A 27 2.931 3.753 -3.879 1.00 0.00 H new ATOM 0 HB ILE A 27 2.756 4.346 -1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.193 3.655 -2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.489 2.532 -2.567 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.918 5.702 -0.638 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.130 6.648 -1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.578 6.235 -2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.394 2.223 -1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.045 2.781 -0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.271 3.921 -0.508 1.00 0.00 H new ATOM 298 N GLU A 28 1.465 6.509 -4.830 1.00 0.00 N ATOM 299 CA GLU A 28 0.477 7.095 -5.758 1.00 0.00 C ATOM 300 C GLU A 28 1.065 7.199 -7.170 1.00 0.00 C ATOM 301 O GLU A 28 1.934 8.018 -7.461 1.00 0.00 O ATOM 302 CB GLU A 28 -0.027 8.443 -5.225 1.00 0.00 C ATOM 303 CG GLU A 28 -1.124 9.109 -6.071 1.00 0.00 C ATOM 304 CD GLU A 28 -2.485 8.404 -6.027 1.00 0.00 C ATOM 305 OE1 GLU A 28 -2.931 8.063 -4.908 1.00 0.00 O ATOM 306 OE2 GLU A 28 -3.132 8.378 -7.096 1.00 0.00 O ATOM 0 H GLU A 28 2.026 7.205 -4.339 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.390 6.437 -5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.408 8.297 -4.214 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.819 9.126 -5.152 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.252 10.137 -5.732 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.787 9.155 -7.107 1.00 0.00 H new ATOM 308 N GLY A 29 0.481 6.352 -8.018 1.00 0.00 N ATOM 309 CA GLY A 29 0.914 6.159 -9.412 1.00 0.00 C ATOM 310 C GLY A 29 1.098 4.661 -9.717 1.00 0.00 C ATOM 311 O GLY A 29 0.790 3.809 -8.886 1.00 0.00 O ATOM 0 H GLY A 29 -0.316 5.771 -7.758 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.176 6.586 -10.091 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.851 6.689 -9.585 1.00 0.00 H new ATOM 313 N GLU A 30 1.623 4.401 -10.908 1.00 0.00 N ATOM 314 CA GLU A 30 1.787 3.023 -11.420 1.00 0.00 C ATOM 315 C GLU A 30 3.262 2.648 -11.652 1.00 0.00 C ATOM 316 O GLU A 30 4.017 3.380 -12.286 1.00 0.00 O ATOM 317 CB GLU A 30 0.950 2.763 -12.679 1.00 0.00 C ATOM 318 CG GLU A 30 1.297 3.647 -13.884 1.00 0.00 C ATOM 319 CD GLU A 30 1.282 2.854 -15.194 1.00 0.00 C ATOM 320 OE1 GLU A 30 0.302 2.108 -15.418 1.00 0.00 O ATOM 321 OE2 GLU A 30 2.269 3.015 -15.945 1.00 0.00 O ATOM 0 H GLU A 30 1.948 5.124 -11.550 1.00 0.00 H new ATOM 0 HA GLU A 30 1.408 2.371 -10.633 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.070 1.719 -12.967 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.102 2.907 -12.433 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.584 4.469 -13.949 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.282 4.090 -13.738 1.00 0.00 H new ATOM 323 N TRP A 31 3.587 1.477 -11.141 1.00 0.00 N ATOM 324 CA TRP A 31 4.969 0.947 -11.140 1.00 0.00 C ATOM 325 C TRP A 31 5.272 0.040 -12.337 1.00 0.00 C ATOM 326 O TRP A 31 4.612 -0.976 -12.533 1.00 0.00 O ATOM 327 CB TRP A 31 5.218 0.185 -9.845 1.00 0.00 C ATOM 328 CG TRP A 31 5.223 1.093 -8.618 1.00 0.00 C ATOM 329 CD1 TRP A 31 4.254 1.924 -8.205 1.00 0.00 C ATOM 330 CD2 TRP A 31 6.104 0.952 -7.570 1.00 0.00 C ATOM 331 NE1 TRP A 31 4.473 2.270 -6.941 1.00 0.00 N ATOM 332 CE2 TRP A 31 5.599 1.690 -6.520 1.00 0.00 C ATOM 333 CE3 TRP A 31 7.309 0.266 -7.427 1.00 0.00 C ATOM 334 CZ2 TRP A 31 6.274 1.746 -5.325 1.00 0.00 C ATOM 335 CZ3 TRP A 31 7.988 0.337 -6.226 1.00 0.00 C ATOM 336 CH2 TRP A 31 7.483 1.076 -5.167 1.00 0.00 C ATOM 0 H TRP A 31 2.908 0.850 -10.709 1.00 0.00 H new ATOM 0 HA TRP A 31 5.637 1.804 -11.220 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.449 -0.578 -9.724 1.00 0.00 H new ATOM 0 HB3 TRP A 31 6.174 -0.334 -9.912 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.423 2.260 -8.808 1.00 0.00 H new ATOM 0 HE1 TRP A 31 3.877 2.881 -6.382 1.00 0.00 H new ATOM 0 HE3 TRP A 31 7.707 -0.315 -8.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.864 2.314 -4.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 8.924 -0.190 -6.111 1.00 0.00 H new ATOM 0 HH2 TRP A 31 8.021 1.131 -4.232 1.00 0.00 H new ATOM 344 N HIS A 32 6.482 0.282 -12.831 1.00 0.00 N ATOM 345 CA HIS A 32 7.001 -0.214 -14.136 1.00 0.00 C ATOM 346 C HIS A 32 6.211 0.406 -15.312 1.00 0.00 C ATOM 347 O HIS A 32 4.988 0.475 -15.237 1.00 0.00 O ATOM 348 CB HIS A 32 6.979 -1.743 -14.258 1.00 0.00 C ATOM 349 CG HIS A 32 7.941 -2.442 -13.298 1.00 0.00 C ATOM 350 ND1 HIS A 32 9.255 -2.550 -13.475 1.00 0.00 N ATOM 351 CD2 HIS A 32 7.599 -3.231 -12.284 1.00 0.00 C ATOM 352 CE1 HIS A 32 9.726 -3.407 -12.578 1.00 0.00 C ATOM 353 NE2 HIS A 32 8.702 -3.829 -11.843 1.00 0.00 N ATOM 0 H HIS A 32 7.166 0.848 -12.328 1.00 0.00 H new ATOM 0 HA HIS A 32 8.044 0.100 -14.179 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.967 -2.101 -14.071 1.00 0.00 H new ATOM 0 HB3 HIS A 32 7.231 -2.022 -15.281 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.603 -3.363 -11.889 1.00 0.00 H new ATOM 0 HE1 HIS A 32 10.757 -3.708 -12.465 1.00 0.00 H new ATOM 0 HE2 HIS A 32 8.753 -4.496 -11.073 1.00 0.00 H new ATOM 356 N PRO A 33 6.891 0.749 -16.417 1.00 0.00 N ATOM 357 CA PRO A 33 6.263 1.426 -17.574 1.00 0.00 C ATOM 358 C PRO A 33 5.083 0.637 -18.176 1.00 0.00 C ATOM 359 O PRO A 33 3.935 0.991 -17.942 1.00 0.00 O ATOM 360 CB PRO A 33 7.415 1.713 -18.542 1.00 0.00 C ATOM 361 CG PRO A 33 8.450 0.639 -18.212 1.00 0.00 C ATOM 362 CD PRO A 33 8.316 0.479 -16.698 1.00 0.00 C ATOM 0 HA PRO A 33 5.774 2.357 -17.287 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.090 1.648 -19.580 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.819 2.715 -18.396 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.243 -0.294 -18.736 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.456 0.948 -18.497 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.599 -0.524 -16.379 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.963 1.177 -16.167 1.00 0.00 H new ATOM 363 N GLN A 34 5.380 -0.350 -19.022 1.00 0.00 N ATOM 364 CA GLN A 34 4.345 -1.224 -19.633 1.00 0.00 C ATOM 365 C GLN A 34 4.788 -2.659 -19.985 1.00 0.00 C ATOM 366 O GLN A 34 3.949 -3.514 -20.269 1.00 0.00 O ATOM 367 CB GLN A 34 3.743 -0.537 -20.872 1.00 0.00 C ATOM 368 CG GLN A 34 4.788 -0.108 -21.914 1.00 0.00 C ATOM 369 CD GLN A 34 4.133 0.445 -23.180 1.00 0.00 C ATOM 370 OE1 GLN A 34 3.504 -0.265 -23.948 1.00 0.00 O ATOM 371 NE2 GLN A 34 4.291 1.727 -23.441 1.00 0.00 N ATOM 0 H GLN A 34 6.332 -0.575 -19.309 1.00 0.00 H new ATOM 0 HA GLN A 34 3.599 -1.355 -18.850 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.032 -1.216 -21.343 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.181 0.341 -20.552 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.442 0.650 -21.482 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.415 -0.961 -22.172 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.817 2.317 -22.797 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.887 2.129 -24.287 1.00 0.00 H new ATOM 375 N ASP A 35 6.011 -2.996 -19.572 1.00 0.00 N ATOM 376 CA ASP A 35 6.714 -4.219 -20.019 1.00 0.00 C ATOM 377 C ASP A 35 6.443 -5.420 -19.085 1.00 0.00 C ATOM 378 O ASP A 35 7.338 -6.171 -18.706 1.00 0.00 O ATOM 379 CB ASP A 35 8.205 -3.869 -20.117 1.00 0.00 C ATOM 380 CG ASP A 35 8.892 -4.488 -21.340 1.00 0.00 C ATOM 381 OD1 ASP A 35 8.627 -5.674 -21.628 1.00 0.00 O ATOM 382 OD2 ASP A 35 9.669 -3.735 -21.963 1.00 0.00 O ATOM 0 H ASP A 35 6.551 -2.432 -18.916 1.00 0.00 H new ATOM 0 HA ASP A 35 6.343 -4.539 -20.993 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.315 -2.785 -20.156 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.711 -4.208 -19.213 1.00 0.00 H new ATOM 384 N LEU A 36 5.165 -5.545 -18.730 1.00 0.00 N ATOM 385 CA LEU A 36 4.631 -6.522 -17.755 1.00 0.00 C ATOM 386 C LEU A 36 3.158 -6.885 -18.053 1.00 0.00 C ATOM 387 O LEU A 36 2.267 -6.770 -17.210 1.00 0.00 O ATOM 388 CB LEU A 36 4.835 -6.007 -16.313 1.00 0.00 C ATOM 389 CG LEU A 36 3.995 -4.797 -15.861 1.00 0.00 C ATOM 390 CD1 LEU A 36 4.001 -4.731 -14.335 1.00 0.00 C ATOM 391 CD2 LEU A 36 4.504 -3.465 -16.416 1.00 0.00 C ATOM 0 H LEU A 36 4.437 -4.949 -19.124 1.00 0.00 H new ATOM 0 HA LEU A 36 5.194 -7.450 -17.855 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.631 -6.832 -15.630 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.887 -5.748 -16.195 1.00 0.00 H new ATOM 0 HG LEU A 36 2.988 -4.944 -16.253 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.409 -3.877 -14.005 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.573 -5.648 -13.929 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.026 -4.621 -13.980 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.868 -2.655 -16.059 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.527 -3.298 -16.079 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.480 -3.492 -17.505 1.00 0.00 H new ATOM 393 N ASN A 37 2.902 -7.171 -19.333 1.00 0.00 N ATOM 394 CA ASN A 37 1.557 -7.462 -19.889 1.00 0.00 C ATOM 395 C ASN A 37 0.501 -6.385 -19.526 1.00 0.00 C ATOM 396 O ASN A 37 -0.659 -6.674 -19.240 1.00 0.00 O ATOM 397 CB ASN A 37 1.140 -8.875 -19.444 1.00 0.00 C ATOM 398 CG ASN A 37 0.130 -9.555 -20.375 1.00 0.00 C ATOM 399 OD1 ASN A 37 -0.594 -8.951 -21.153 1.00 0.00 O ATOM 400 ND2 ASN A 37 0.148 -10.869 -20.381 1.00 0.00 N ATOM 0 H ASN A 37 3.638 -7.210 -20.038 1.00 0.00 H new ATOM 0 HA ASN A 37 1.612 -7.428 -20.977 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.031 -9.499 -19.375 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.713 -8.817 -18.443 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.442 -11.384 -21.035 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.752 -11.374 -19.732 1.00 0.00 H new ATOM 404 N ASP A 38 0.964 -5.131 -19.487 1.00 0.00 N ATOM 405 CA ASP A 38 0.183 -3.932 -19.103 1.00 0.00 C ATOM 406 C ASP A 38 -0.673 -4.091 -17.819 1.00 0.00 C ATOM 407 O ASP A 38 -1.885 -3.886 -17.834 1.00 0.00 O ATOM 408 CB ASP A 38 -0.626 -3.466 -20.328 1.00 0.00 C ATOM 409 CG ASP A 38 -1.402 -2.156 -20.126 1.00 0.00 C ATOM 410 OD1 ASP A 38 -0.916 -1.307 -19.349 1.00 0.00 O ATOM 411 OD2 ASP A 38 -2.431 -2.003 -20.823 1.00 0.00 O ATOM 0 H ASP A 38 1.929 -4.906 -19.730 1.00 0.00 H new ATOM 0 HA ASP A 38 0.887 -3.152 -18.813 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.055 -3.343 -21.170 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.331 -4.251 -20.601 1.00 0.00 H new ATOM 413 N SER A 39 -0.005 -4.450 -16.723 1.00 0.00 N ATOM 414 CA SER A 39 -0.653 -4.599 -15.394 1.00 0.00 C ATOM 415 C SER A 39 0.221 -4.184 -14.181 1.00 0.00 C ATOM 416 O SER A 39 0.611 -5.042 -13.383 1.00 0.00 O ATOM 417 CB SER A 39 -1.161 -6.039 -15.252 1.00 0.00 C ATOM 418 OG SER A 39 -2.571 -6.073 -15.470 1.00 0.00 O ATOM 0 H SER A 39 0.996 -4.648 -16.717 1.00 0.00 H new ATOM 0 HA SER A 39 -1.481 -3.891 -15.369 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.656 -6.686 -15.970 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.927 -6.422 -14.258 1.00 0.00 H new ATOM 0 HG SER A 39 -3.025 -5.588 -14.750 1.00 0.00 H new ATOM 421 N PRO A 40 0.529 -2.883 -14.033 1.00 0.00 N ATOM 422 CA PRO A 40 1.402 -2.364 -12.951 1.00 0.00 C ATOM 423 C PRO A 40 0.837 -2.478 -11.519 1.00 0.00 C ATOM 424 O PRO A 40 -0.124 -3.193 -11.248 1.00 0.00 O ATOM 425 CB PRO A 40 1.632 -0.895 -13.323 1.00 0.00 C ATOM 426 CG PRO A 40 1.511 -0.891 -14.840 1.00 0.00 C ATOM 427 CD PRO A 40 0.323 -1.825 -15.045 1.00 0.00 C ATOM 0 HA PRO A 40 2.309 -2.967 -12.901 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.892 -0.243 -12.859 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.612 -0.547 -12.997 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.323 0.107 -15.235 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.414 -1.261 -15.326 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.624 -1.307 -14.895 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.306 -2.235 -16.055 1.00 0.00 H new ATOM 428 N LEU A 41 1.622 -1.916 -10.604 1.00 0.00 N ATOM 429 CA LEU A 41 1.226 -1.602 -9.214 1.00 0.00 C ATOM 430 C LEU A 41 0.815 -0.120 -9.151 1.00 0.00 C ATOM 431 O LEU A 41 1.651 0.762 -9.316 1.00 0.00 O ATOM 432 CB LEU A 41 2.406 -1.967 -8.291 1.00 0.00 C ATOM 433 CG LEU A 41 2.659 -1.124 -7.025 1.00 0.00 C ATOM 434 CD1 LEU A 41 1.502 -1.142 -6.028 1.00 0.00 C ATOM 435 CD2 LEU A 41 3.929 -1.620 -6.337 1.00 0.00 C ATOM 0 H LEU A 41 2.587 -1.654 -10.806 1.00 0.00 H new ATOM 0 HA LEU A 41 0.365 -2.179 -8.877 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.267 -3.001 -7.975 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.315 -1.937 -8.892 1.00 0.00 H new ATOM 0 HG LEU A 41 2.764 -0.091 -7.355 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.756 -0.526 -5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.605 -0.747 -6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.318 -2.166 -5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.113 -1.027 -5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.808 -2.667 -6.061 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.774 -1.520 -7.018 1.00 0.00 H new ATOM 437 N LYS A 42 -0.492 0.097 -9.155 1.00 0.00 N ATOM 438 CA LYS A 42 -1.084 1.448 -9.068 1.00 0.00 C ATOM 439 C LYS A 42 -2.020 1.614 -7.872 1.00 0.00 C ATOM 440 O LYS A 42 -2.857 0.768 -7.559 1.00 0.00 O ATOM 441 CB LYS A 42 -1.778 1.951 -10.347 1.00 0.00 C ATOM 442 CG LYS A 42 -2.794 1.000 -10.990 1.00 0.00 C ATOM 443 CD LYS A 42 -2.064 -0.041 -11.840 1.00 0.00 C ATOM 444 CE LYS A 42 -2.677 -1.429 -11.667 1.00 0.00 C ATOM 445 NZ LYS A 42 -3.801 -1.651 -12.582 1.00 0.00 N ATOM 0 H LYS A 42 -1.183 -0.651 -9.218 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.208 2.081 -8.927 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.286 2.887 -10.115 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.009 2.180 -11.085 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.382 0.504 -10.217 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.492 1.564 -11.609 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.107 0.249 -12.890 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.011 -0.069 -11.559 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.913 -2.187 -11.841 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.017 -1.549 -10.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.046 -2.662 -12.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.623 -1.099 -12.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.533 -1.350 -13.541 1.00 0.00 H new ATOM 450 N PHE A 43 -1.728 2.689 -7.166 1.00 0.00 N ATOM 451 CA PHE A 43 -2.568 3.165 -6.055 1.00 0.00 C ATOM 452 C PHE A 43 -3.124 4.568 -6.330 1.00 0.00 C ATOM 453 O PHE A 43 -2.414 5.469 -6.784 1.00 0.00 O ATOM 454 CB PHE A 43 -1.752 3.048 -4.764 1.00 0.00 C ATOM 455 CG PHE A 43 -2.213 3.980 -3.645 1.00 0.00 C ATOM 456 CD1 PHE A 43 -1.731 5.278 -3.665 1.00 0.00 C ATOM 457 CD2 PHE A 43 -2.971 3.539 -2.571 1.00 0.00 C ATOM 458 CE1 PHE A 43 -1.977 6.149 -2.621 1.00 0.00 C ATOM 459 CE2 PHE A 43 -3.197 4.398 -1.506 1.00 0.00 C ATOM 460 CZ PHE A 43 -2.701 5.699 -1.530 1.00 0.00 C ATOM 0 H PHE A 43 -0.904 3.266 -7.337 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.459 2.546 -5.945 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.802 2.019 -4.408 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.706 3.258 -4.988 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.152 5.616 -4.512 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.380 2.540 -2.564 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.610 7.164 -2.655 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.762 4.055 -0.652 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.882 6.359 -0.695 1.00 0.00 H new ATOM 467 N ILE A 44 -4.388 4.696 -5.947 1.00 0.00 N ATOM 468 CA ILE A 44 -5.178 5.940 -6.067 1.00 0.00 C ATOM 469 C ILE A 44 -5.726 6.401 -4.696 1.00 0.00 C ATOM 470 O ILE A 44 -5.522 5.771 -3.656 1.00 0.00 O ATOM 471 CB ILE A 44 -6.303 5.870 -7.133 1.00 0.00 C ATOM 472 CG1 ILE A 44 -6.316 4.647 -8.064 1.00 0.00 C ATOM 473 CG2 ILE A 44 -6.251 7.136 -7.992 1.00 0.00 C ATOM 474 CD1 ILE A 44 -7.015 3.441 -7.432 1.00 0.00 C ATOM 0 H ILE A 44 -4.915 3.927 -5.533 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.479 6.695 -6.427 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.218 5.777 -6.548 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.818 4.908 -8.995 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.291 4.377 -8.319 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.038 7.097 -8.745 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.397 8.011 -7.359 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.281 7.202 -8.484 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.997 2.604 -8.129 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.498 3.160 -6.515 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.049 3.699 -7.201 1.00 0.00 H new ATOM 476 N LEU A 45 -6.593 7.405 -4.770 1.00 0.00 N ATOM 477 CA LEU A 45 -7.113 8.170 -3.622 1.00 0.00 C ATOM 478 C LEU A 45 -8.645 8.183 -3.582 1.00 0.00 C ATOM 479 O LEU A 45 -9.299 8.669 -4.502 1.00 0.00 O ATOM 480 CB LEU A 45 -6.482 9.575 -3.561 1.00 0.00 C ATOM 481 CG LEU A 45 -6.026 10.181 -4.901 1.00 0.00 C ATOM 482 CD1 LEU A 45 -7.182 10.778 -5.706 1.00 0.00 C ATOM 483 CD2 LEU A 45 -4.915 11.204 -4.662 1.00 0.00 C ATOM 0 H LEU A 45 -6.972 7.727 -5.660 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.809 7.657 -2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.204 10.254 -3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.621 9.534 -2.894 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.630 9.369 -5.511 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.800 11.190 -6.640 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.913 10.000 -5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.657 11.570 -5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.599 11.627 -5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.286 12.000 -4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.067 10.715 -4.183 1.00 0.00 H new ATOM 485 N SER A 46 -9.159 7.492 -2.564 1.00 0.00 N ATOM 486 CA SER A 46 -10.595 7.224 -2.323 1.00 0.00 C ATOM 487 C SER A 46 -11.175 6.217 -3.333 1.00 0.00 C ATOM 488 O SER A 46 -10.475 5.687 -4.196 1.00 0.00 O ATOM 489 CB SER A 46 -11.443 8.509 -2.270 1.00 0.00 C ATOM 490 OG SER A 46 -12.722 8.265 -1.670 1.00 0.00 O ATOM 0 H SER A 46 -8.564 7.080 -1.845 1.00 0.00 H new ATOM 0 HA SER A 46 -10.649 6.769 -1.334 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.913 9.274 -1.703 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.581 8.898 -3.279 1.00 0.00 H new ATOM 0 HG SER A 46 -12.622 7.624 -0.936 1.00 0.00 H new ATOM 493 N THR A 47 -12.379 5.778 -2.992 1.00 0.00 N ATOM 494 CA THR A 47 -13.253 4.940 -3.839 1.00 0.00 C ATOM 495 C THR A 47 -14.675 5.494 -3.667 1.00 0.00 C ATOM 496 O THR A 47 -15.039 5.921 -2.569 1.00 0.00 O ATOM 497 CB THR A 47 -13.291 3.458 -3.424 1.00 0.00 C ATOM 498 OG1 THR A 47 -12.040 2.976 -2.925 1.00 0.00 O ATOM 499 CG2 THR A 47 -13.682 2.582 -4.617 1.00 0.00 C ATOM 0 H THR A 47 -12.799 5.997 -2.089 1.00 0.00 H new ATOM 0 HA THR A 47 -12.869 4.977 -4.859 1.00 0.00 H new ATOM 0 HB THR A 47 -14.028 3.397 -2.623 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.183 2.135 -2.442 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.705 1.537 -4.309 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.668 2.876 -4.977 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.952 2.709 -5.416 1.00 0.00 H new ATOM 502 N SER A 48 -15.505 5.309 -4.693 1.00 0.00 N ATOM 503 CA SER A 48 -16.920 5.750 -4.736 1.00 0.00 C ATOM 504 C SER A 48 -17.744 5.440 -3.471 1.00 0.00 C ATOM 505 O SER A 48 -18.466 6.300 -2.969 1.00 0.00 O ATOM 506 CB SER A 48 -17.621 5.102 -5.937 1.00 0.00 C ATOM 507 OG SER A 48 -16.825 5.259 -7.116 1.00 0.00 O ATOM 0 H SER A 48 -15.214 4.835 -5.548 1.00 0.00 H new ATOM 0 HA SER A 48 -16.876 6.836 -4.815 1.00 0.00 H new ATOM 0 HB2 SER A 48 -17.790 4.043 -5.741 1.00 0.00 H new ATOM 0 HB3 SER A 48 -18.600 5.558 -6.086 1.00 0.00 H new ATOM 0 HG SER A 48 -17.280 4.841 -7.876 1.00 0.00 H new ATOM 510 N ASP A 49 -17.486 4.278 -2.874 1.00 0.00 N ATOM 511 CA ASP A 49 -18.155 3.794 -1.646 1.00 0.00 C ATOM 512 C ASP A 49 -17.463 4.229 -0.334 1.00 0.00 C ATOM 513 O ASP A 49 -17.309 3.438 0.593 1.00 0.00 O ATOM 514 CB ASP A 49 -18.330 2.264 -1.738 1.00 0.00 C ATOM 515 CG ASP A 49 -17.014 1.494 -1.926 1.00 0.00 C ATOM 516 OD1 ASP A 49 -16.499 1.561 -3.067 1.00 0.00 O ATOM 517 OD2 ASP A 49 -16.518 0.921 -0.937 1.00 0.00 O ATOM 0 H ASP A 49 -16.790 3.623 -3.232 1.00 0.00 H new ATOM 0 HA ASP A 49 -19.134 4.271 -1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -18.820 1.910 -0.831 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -18.995 2.034 -2.570 1.00 0.00 H new ATOM 519 N ASP A 50 -17.079 5.507 -0.266 1.00 0.00 N ATOM 520 CA ASP A 50 -16.295 6.098 0.848 1.00 0.00 C ATOM 521 C ASP A 50 -14.983 5.330 1.131 1.00 0.00 C ATOM 522 O ASP A 50 -14.537 5.218 2.273 1.00 0.00 O ATOM 523 CB ASP A 50 -17.174 6.247 2.105 1.00 0.00 C ATOM 524 CG ASP A 50 -16.501 7.015 3.253 1.00 0.00 C ATOM 525 OD1 ASP A 50 -15.847 8.039 2.949 1.00 0.00 O ATOM 526 OD2 ASP A 50 -16.739 6.625 4.416 1.00 0.00 O ATOM 0 H ASP A 50 -17.304 6.184 -0.995 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.983 7.095 0.538 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -18.097 6.759 1.832 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -17.453 5.255 2.460 1.00 0.00 H new ATOM 528 N SER A 51 -14.290 5.001 0.040 1.00 0.00 N ATOM 529 CA SER A 51 -13.038 4.206 0.007 1.00 0.00 C ATOM 530 C SER A 51 -13.201 2.747 0.463 1.00 0.00 C ATOM 531 O SER A 51 -14.291 2.308 0.817 1.00 0.00 O ATOM 532 CB SER A 51 -11.907 4.850 0.816 1.00 0.00 C ATOM 533 OG SER A 51 -11.734 6.215 0.438 1.00 0.00 O ATOM 0 H SER A 51 -14.590 5.289 -0.891 1.00 0.00 H new ATOM 0 HA SER A 51 -12.773 4.197 -1.050 1.00 0.00 H new ATOM 0 HB2 SER A 51 -12.133 4.788 1.881 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.979 4.302 0.654 1.00 0.00 H new ATOM 0 HG SER A 51 -11.864 6.790 1.221 1.00 0.00 H new ATOM 536 N ASP A 52 -12.146 1.963 0.232 1.00 0.00 N ATOM 537 CA ASP A 52 -12.112 0.533 0.619 1.00 0.00 C ATOM 538 C ASP A 52 -11.029 0.178 1.660 1.00 0.00 C ATOM 539 O ASP A 52 -11.204 -0.746 2.455 1.00 0.00 O ATOM 540 CB ASP A 52 -11.974 -0.387 -0.608 1.00 0.00 C ATOM 541 CG ASP A 52 -13.098 -0.335 -1.660 1.00 0.00 C ATOM 542 OD1 ASP A 52 -13.667 0.759 -1.865 1.00 0.00 O ATOM 543 OD2 ASP A 52 -13.122 -1.273 -2.487 1.00 0.00 O ATOM 0 H ASP A 52 -11.294 2.288 -0.224 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.075 0.361 1.100 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.035 -0.147 -1.106 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.892 -1.414 -0.252 1.00 0.00 H new ATOM 545 N TYR A 53 -9.892 0.877 1.622 1.00 0.00 N ATOM 546 CA TYR A 53 -8.772 0.651 2.559 1.00 0.00 C ATOM 547 C TYR A 53 -8.734 1.740 3.637 1.00 0.00 C ATOM 548 O TYR A 53 -8.568 2.922 3.335 1.00 0.00 O ATOM 549 CB TYR A 53 -7.444 0.682 1.795 1.00 0.00 C ATOM 550 CG TYR A 53 -6.606 -0.592 1.915 1.00 0.00 C ATOM 551 CD1 TYR A 53 -6.523 -1.311 3.103 1.00 0.00 C ATOM 552 CD2 TYR A 53 -5.962 -1.061 0.777 1.00 0.00 C ATOM 553 CE1 TYR A 53 -5.832 -2.515 3.140 1.00 0.00 C ATOM 554 CE2 TYR A 53 -5.267 -2.262 0.814 1.00 0.00 C ATOM 555 CZ TYR A 53 -5.219 -2.992 1.993 1.00 0.00 C ATOM 556 OH TYR A 53 -4.681 -4.233 2.003 1.00 0.00 O ATOM 0 H TYR A 53 -9.715 1.617 0.943 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.919 -0.320 3.031 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.651 0.866 0.741 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.853 1.524 2.155 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.996 -0.933 3.997 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.002 -0.490 -0.139 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.773 -3.078 4.060 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.766 -2.626 -0.071 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.999 -4.734 1.223 1.00 0.00 H new ATOM 563 N ILE A 54 -8.811 1.297 4.888 1.00 0.00 N ATOM 564 CA ILE A 54 -8.835 2.201 6.055 1.00 0.00 C ATOM 565 C ILE A 54 -7.565 2.006 6.898 1.00 0.00 C ATOM 566 O ILE A 54 -7.288 0.923 7.413 1.00 0.00 O ATOM 567 CB ILE A 54 -10.136 2.006 6.867 1.00 0.00 C ATOM 568 CG1 ILE A 54 -11.347 2.304 5.964 1.00 0.00 C ATOM 569 CG2 ILE A 54 -10.154 2.909 8.113 1.00 0.00 C ATOM 570 CD1 ILE A 54 -12.706 1.864 6.520 1.00 0.00 C ATOM 0 H ILE A 54 -8.859 0.308 5.131 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.836 3.237 5.716 1.00 0.00 H new ATOM 0 HB ILE A 54 -10.185 0.973 7.211 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.381 3.377 5.774 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.191 1.814 5.003 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.081 2.750 8.664 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.305 2.664 8.752 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.089 3.953 7.807 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -13.491 2.120 5.808 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.701 0.786 6.683 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.894 2.373 7.465 1.00 0.00 H new ATOM 572 N CYS A 55 -6.745 3.053 6.879 1.00 0.00 N ATOM 573 CA CYS A 55 -5.522 3.124 7.698 1.00 0.00 C ATOM 574 C CYS A 55 -5.845 3.525 9.137 1.00 0.00 C ATOM 575 O CYS A 55 -6.577 4.485 9.369 1.00 0.00 O ATOM 576 CB CYS A 55 -4.483 4.066 7.070 1.00 0.00 C ATOM 577 SG CYS A 55 -4.999 5.781 6.687 1.00 0.00 S ATOM 0 H CYS A 55 -6.902 3.878 6.300 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.082 2.127 7.726 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -3.628 4.117 7.744 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.133 3.608 6.145 1.00 0.00 H new ATOM 579 N LYS A 56 -5.366 2.708 10.068 1.00 0.00 N ATOM 580 CA LYS A 56 -5.522 2.985 11.508 1.00 0.00 C ATOM 581 C LYS A 56 -4.611 4.150 11.952 1.00 0.00 C ATOM 582 O LYS A 56 -5.075 5.070 12.622 1.00 0.00 O ATOM 583 CB LYS A 56 -5.304 1.688 12.302 1.00 0.00 C ATOM 584 CG LYS A 56 -5.647 1.844 13.789 1.00 0.00 C ATOM 585 CD LYS A 56 -5.704 0.499 14.520 1.00 0.00 C ATOM 586 CE LYS A 56 -7.120 -0.092 14.525 1.00 0.00 C ATOM 587 NZ LYS A 56 -8.009 0.661 15.424 1.00 0.00 N ATOM 0 H LYS A 56 -4.864 1.845 9.860 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.538 3.322 11.717 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.917 0.896 11.872 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.264 1.376 12.203 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.903 2.482 14.266 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.608 2.348 13.886 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.020 -0.203 14.043 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.362 0.629 15.547 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.526 -0.079 13.513 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.080 -1.135 14.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.846 0.085 15.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.502 0.889 16.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.309 1.541 14.958 1.00 0.00 H new ATOM 592 N TYR A 57 -3.346 4.107 11.517 1.00 0.00 N ATOM 593 CA TYR A 57 -2.317 5.152 11.737 1.00 0.00 C ATOM 594 C TYR A 57 -0.965 4.766 11.109 1.00 0.00 C ATOM 595 O TYR A 57 -0.752 3.611 10.728 1.00 0.00 O ATOM 596 CB TYR A 57 -2.107 5.476 13.232 1.00 0.00 C ATOM 597 CG TYR A 57 -1.484 4.351 14.067 1.00 0.00 C ATOM 598 CD1 TYR A 57 -2.162 3.157 14.279 1.00 0.00 C ATOM 599 CD2 TYR A 57 -0.192 4.499 14.554 1.00 0.00 C ATOM 600 CE1 TYR A 57 -1.549 2.105 14.944 1.00 0.00 C ATOM 601 CE2 TYR A 57 0.424 3.452 15.226 1.00 0.00 C ATOM 602 CZ TYR A 57 -0.255 2.258 15.424 1.00 0.00 C ATOM 603 OH TYR A 57 0.298 1.297 16.207 1.00 0.00 O ATOM 0 H TYR A 57 -2.989 3.316 10.981 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.700 6.045 11.243 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.471 6.358 13.309 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.071 5.739 13.668 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.176 3.047 13.923 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.335 5.431 14.410 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.075 1.173 15.087 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.432 3.567 15.595 1.00 0.00 H new ATOM 0 HH TYR A 57 1.208 1.561 16.455 1.00 0.00 H new ATOM 610 N ILE A 58 -0.169 5.793 10.804 1.00 0.00 N ATOM 611 CA ILE A 58 1.254 5.615 10.452 1.00 0.00 C ATOM 612 C ILE A 58 2.107 5.262 11.692 1.00 0.00 C ATOM 613 O ILE A 58 1.941 5.824 12.774 1.00 0.00 O ATOM 614 CB ILE A 58 1.783 6.842 9.677 1.00 0.00 C ATOM 615 CG1 ILE A 58 3.111 6.489 8.987 1.00 0.00 C ATOM 616 CG2 ILE A 58 1.897 8.089 10.572 1.00 0.00 C ATOM 617 CD1 ILE A 58 3.613 7.516 7.969 1.00 0.00 C ATOM 0 H ILE A 58 -0.482 6.764 10.792 1.00 0.00 H new ATOM 0 HA ILE A 58 1.340 4.760 9.781 1.00 0.00 H new ATOM 0 HB ILE A 58 1.059 7.102 8.905 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.875 6.357 9.753 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.996 5.529 8.483 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.273 8.926 9.984 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.915 8.340 10.974 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.584 7.886 11.394 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.555 7.173 7.540 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.874 7.633 7.176 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.768 8.474 8.465 1.00 0.00 H new ATOM 619 N ASN A 59 3.140 4.473 11.432 1.00 0.00 N ATOM 620 CA ASN A 59 4.107 3.991 12.432 1.00 0.00 C ATOM 621 C ASN A 59 5.480 4.603 12.122 1.00 0.00 C ATOM 622 O ASN A 59 6.079 4.348 11.071 1.00 0.00 O ATOM 623 CB ASN A 59 4.242 2.463 12.362 1.00 0.00 C ATOM 624 CG ASN A 59 2.918 1.700 12.421 1.00 0.00 C ATOM 625 OD1 ASN A 59 2.486 1.195 13.443 1.00 0.00 O ATOM 626 ND2 ASN A 59 2.272 1.574 11.280 1.00 0.00 N ATOM 0 H ASN A 59 3.342 4.135 10.491 1.00 0.00 H new ATOM 0 HA ASN A 59 3.759 4.279 13.424 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.756 2.200 11.438 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.874 2.130 13.185 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.399 1.049 11.244 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.645 2.002 10.433 1.00 0.00 H new ATOM 630 N THR A 60 5.965 5.389 13.077 1.00 0.00 N ATOM 631 CA THR A 60 7.289 6.054 13.020 1.00 0.00 C ATOM 632 C THR A 60 8.486 5.087 13.178 1.00 0.00 C ATOM 633 O THR A 60 9.634 5.520 13.237 1.00 0.00 O ATOM 634 CB THR A 60 7.369 7.160 14.094 1.00 0.00 C ATOM 635 OG1 THR A 60 6.068 7.708 14.349 1.00 0.00 O ATOM 636 CG2 THR A 60 8.286 8.303 13.646 1.00 0.00 C ATOM 0 H THR A 60 5.450 5.594 13.933 1.00 0.00 H new ATOM 0 HA THR A 60 7.369 6.481 12.020 1.00 0.00 H new ATOM 0 HB THR A 60 7.771 6.701 14.997 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.136 8.406 15.033 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.322 9.066 14.423 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.290 7.916 13.470 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.899 8.740 12.726 1.00 0.00 H new ATOM 639 N GLU A 61 8.230 3.783 13.058 1.00 0.00 N ATOM 640 CA GLU A 61 9.256 2.721 13.163 1.00 0.00 C ATOM 641 C GLU A 61 10.268 2.773 12.000 1.00 0.00 C ATOM 642 O GLU A 61 11.431 2.427 12.183 1.00 0.00 O ATOM 643 CB GLU A 61 8.558 1.354 13.188 1.00 0.00 C ATOM 644 CG GLU A 61 9.266 0.313 14.069 1.00 0.00 C ATOM 645 CD GLU A 61 10.715 0.008 13.669 1.00 0.00 C ATOM 646 OE1 GLU A 61 10.885 -0.586 12.580 1.00 0.00 O ATOM 647 OE2 GLU A 61 11.606 0.347 14.474 1.00 0.00 O ATOM 0 H GLU A 61 7.293 3.420 12.882 1.00 0.00 H new ATOM 0 HA GLU A 61 9.816 2.880 14.084 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.537 1.484 13.545 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.493 0.971 12.170 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.255 0.664 15.101 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.694 -0.614 14.042 1.00 0.00 H new ATOM 649 N HIS A 62 9.737 3.010 10.800 1.00 0.00 N ATOM 650 CA HIS A 62 10.495 3.203 9.543 1.00 0.00 C ATOM 651 C HIS A 62 9.594 3.778 8.430 1.00 0.00 C ATOM 652 O HIS A 62 9.518 3.267 7.319 1.00 0.00 O ATOM 653 CB HIS A 62 11.233 1.920 9.100 1.00 0.00 C ATOM 654 CG HIS A 62 10.341 0.681 8.945 1.00 0.00 C ATOM 655 ND1 HIS A 62 10.052 -0.196 9.901 1.00 0.00 N ATOM 656 CD2 HIS A 62 9.680 0.314 7.851 1.00 0.00 C ATOM 657 CE1 HIS A 62 9.189 -1.080 9.409 1.00 0.00 C ATOM 658 NE2 HIS A 62 8.957 -0.762 8.139 1.00 0.00 N ATOM 0 H HIS A 62 8.729 3.077 10.661 1.00 0.00 H new ATOM 0 HA HIS A 62 11.271 3.942 9.743 1.00 0.00 H new ATOM 0 HB2 HIS A 62 11.729 2.114 8.149 1.00 0.00 H new ATOM 0 HB3 HIS A 62 12.014 1.698 9.827 1.00 0.00 H new ATOM 0 HD1 HIS A 62 10.428 -0.192 10.849 1.00 0.00 H new ATOM 0 HD2 HIS A 62 9.724 0.807 6.891 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.754 -1.910 9.946 1.00 0.00 H new ATOM 661 N LYS A 63 8.847 4.827 8.789 1.00 0.00 N ATOM 662 CA LYS A 63 7.934 5.567 7.877 1.00 0.00 C ATOM 663 C LYS A 63 6.852 4.671 7.211 1.00 0.00 C ATOM 664 O LYS A 63 6.372 4.923 6.105 1.00 0.00 O ATOM 665 CB LYS A 63 8.787 6.309 6.825 1.00 0.00 C ATOM 666 CG LYS A 63 9.938 7.166 7.374 1.00 0.00 C ATOM 667 CD LYS A 63 9.505 8.531 7.920 1.00 0.00 C ATOM 668 CE LYS A 63 9.489 9.618 6.838 1.00 0.00 C ATOM 669 NZ LYS A 63 10.845 9.971 6.383 1.00 0.00 N ATOM 0 H LYS A 63 8.852 5.202 9.738 1.00 0.00 H new ATOM 0 HA LYS A 63 7.368 6.281 8.475 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.204 5.572 6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.129 6.952 6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.440 6.613 8.168 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.670 7.321 6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.511 8.445 8.358 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.182 8.830 8.721 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.901 9.273 5.988 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.995 10.508 7.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.820 10.890 5.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.482 10.030 7.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.192 9.242 5.727 1.00 0.00 H new ATOM 674 N GLN A 64 6.265 3.785 8.017 1.00 0.00 N ATOM 675 CA GLN A 64 5.425 2.664 7.531 1.00 0.00 C ATOM 676 C GLN A 64 3.968 2.762 8.024 1.00 0.00 C ATOM 677 O GLN A 64 3.739 3.045 9.197 1.00 0.00 O ATOM 678 CB GLN A 64 6.111 1.381 8.023 1.00 0.00 C ATOM 679 CG GLN A 64 5.520 0.068 7.489 1.00 0.00 C ATOM 680 CD GLN A 64 4.699 -0.733 8.506 1.00 0.00 C ATOM 681 OE1 GLN A 64 4.809 -1.942 8.614 1.00 0.00 O ATOM 682 NE2 GLN A 64 3.879 -0.091 9.315 1.00 0.00 N ATOM 0 H GLN A 64 6.353 3.816 9.033 1.00 0.00 H new ATOM 0 HA GLN A 64 5.349 2.682 6.444 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.164 1.424 7.746 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.068 1.362 9.112 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.887 0.294 6.631 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.335 -0.559 7.127 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.775 0.921 9.238 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.349 -0.606 10.018 1.00 0.00 H new ATOM 686 N LEU A 65 3.024 2.268 7.226 1.00 0.00 N ATOM 687 CA LEU A 65 1.575 2.375 7.518 1.00 0.00 C ATOM 688 C LEU A 65 0.889 1.024 7.796 1.00 0.00 C ATOM 689 O LEU A 65 1.140 0.036 7.106 1.00 0.00 O ATOM 690 CB LEU A 65 0.908 3.059 6.314 1.00 0.00 C ATOM 691 CG LEU A 65 -0.582 3.382 6.481 1.00 0.00 C ATOM 692 CD1 LEU A 65 -0.812 4.477 7.521 1.00 0.00 C ATOM 693 CD2 LEU A 65 -1.169 3.798 5.133 1.00 0.00 C ATOM 0 H LEU A 65 3.231 1.780 6.355 1.00 0.00 H new ATOM 0 HA LEU A 65 1.462 2.953 8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.442 3.986 6.103 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.027 2.417 5.441 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.086 2.484 6.839 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.880 4.676 7.609 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.423 4.150 8.485 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.298 5.387 7.211 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.228 4.027 5.252 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.646 4.681 4.765 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.053 2.983 4.418 1.00 0.00 H new ATOM 695 N THR A 66 -0.079 1.079 8.714 1.00 0.00 N ATOM 696 CA THR A 66 -0.953 -0.064 9.069 1.00 0.00 C ATOM 697 C THR A 66 -2.401 0.240 8.638 1.00 0.00 C ATOM 698 O THR A 66 -3.070 1.094 9.224 1.00 0.00 O ATOM 699 CB THR A 66 -0.904 -0.367 10.582 1.00 0.00 C ATOM 700 OG1 THR A 66 0.453 -0.541 11.003 1.00 0.00 O ATOM 701 CG2 THR A 66 -1.689 -1.631 10.956 1.00 0.00 C ATOM 0 H THR A 66 -0.288 1.925 9.244 1.00 0.00 H new ATOM 0 HA THR A 66 -0.589 -0.946 8.542 1.00 0.00 H new ATOM 0 HB THR A 66 -1.364 0.484 11.084 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.476 -0.731 11.964 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.621 -1.797 12.031 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.734 -1.507 10.673 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.270 -2.489 10.429 1.00 0.00 H new ATOM 704 N LEU A 67 -2.826 -0.439 7.576 1.00 0.00 N ATOM 705 CA LEU A 67 -4.195 -0.323 7.024 1.00 0.00 C ATOM 706 C LEU A 67 -4.942 -1.656 6.875 1.00 0.00 C ATOM 707 O LEU A 67 -4.347 -2.677 6.555 1.00 0.00 O ATOM 708 CB LEU A 67 -4.240 0.458 5.695 1.00 0.00 C ATOM 709 CG LEU A 67 -3.096 0.309 4.679 1.00 0.00 C ATOM 710 CD1 LEU A 67 -2.908 -1.112 4.148 1.00 0.00 C ATOM 711 CD2 LEU A 67 -3.384 1.234 3.497 1.00 0.00 C ATOM 0 H LEU A 67 -2.235 -1.093 7.063 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.726 0.249 7.785 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.164 0.181 5.187 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.318 1.517 5.943 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.175 0.568 5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.081 -1.129 3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.687 -1.784 4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.821 -1.438 3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.584 1.145 2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.332 0.953 3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.442 2.265 3.847 1.00 0.00 H new ATOM 713 N TYR A 68 -6.255 -1.611 7.062 1.00 0.00 N ATOM 714 CA TYR A 68 -7.143 -2.776 6.883 1.00 0.00 C ATOM 715 C TYR A 68 -8.233 -2.513 5.835 1.00 0.00 C ATOM 716 O TYR A 68 -8.770 -1.411 5.714 1.00 0.00 O ATOM 717 CB TYR A 68 -7.727 -3.246 8.226 1.00 0.00 C ATOM 718 CG TYR A 68 -8.462 -2.154 9.006 1.00 0.00 C ATOM 719 CD1 TYR A 68 -7.740 -1.219 9.737 1.00 0.00 C ATOM 720 CD2 TYR A 68 -9.851 -2.119 9.014 1.00 0.00 C ATOM 721 CE1 TYR A 68 -8.400 -0.228 10.448 1.00 0.00 C ATOM 722 CE2 TYR A 68 -10.514 -1.146 9.749 1.00 0.00 C ATOM 723 CZ TYR A 68 -9.788 -0.191 10.448 1.00 0.00 C ATOM 724 OH TYR A 68 -10.432 0.802 11.112 1.00 0.00 O ATOM 0 H TYR A 68 -6.747 -0.763 7.344 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.535 -3.593 6.495 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.415 -4.071 8.042 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.919 -3.637 8.844 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.661 -1.264 9.752 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.414 -2.848 8.449 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.837 0.511 10.999 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.594 -1.132 9.777 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.400 0.686 11.014 1.00 0.00 H new ATOM 731 N ASN A 69 -8.390 -3.507 4.970 1.00 0.00 N ATOM 732 CA ASN A 69 -9.304 -3.461 3.817 1.00 0.00 C ATOM 733 C ASN A 69 -10.692 -4.012 4.172 1.00 0.00 C ATOM 734 O ASN A 69 -10.868 -5.199 4.457 1.00 0.00 O ATOM 735 CB ASN A 69 -8.667 -4.240 2.662 1.00 0.00 C ATOM 736 CG ASN A 69 -9.314 -3.926 1.312 1.00 0.00 C ATOM 737 OD1 ASN A 69 -9.895 -4.774 0.657 1.00 0.00 O ATOM 738 ND2 ASN A 69 -9.305 -2.671 0.921 1.00 0.00 N ATOM 0 H ASN A 69 -7.880 -4.387 5.044 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.457 -2.424 3.516 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.603 -4.006 2.614 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.750 -5.309 2.860 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -9.787 -2.401 0.064 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -8.816 -1.968 1.475 1.00 0.00 H new ATOM 742 N LYS A 70 -11.665 -3.126 3.988 1.00 0.00 N ATOM 743 CA LYS A 70 -13.088 -3.365 4.308 1.00 0.00 C ATOM 744 C LYS A 70 -13.877 -4.068 3.179 1.00 0.00 C ATOM 745 O LYS A 70 -15.105 -4.106 3.205 1.00 0.00 O ATOM 746 CB LYS A 70 -13.705 -1.995 4.620 1.00 0.00 C ATOM 747 CG LYS A 70 -14.387 -1.893 5.989 1.00 0.00 C ATOM 748 CD LYS A 70 -13.400 -1.953 7.161 1.00 0.00 C ATOM 749 CE LYS A 70 -13.923 -1.196 8.389 1.00 0.00 C ATOM 750 NZ LYS A 70 -15.108 -1.799 9.016 1.00 0.00 N ATOM 0 H LYS A 70 -11.493 -2.197 3.604 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.146 -4.049 5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.922 -1.238 4.562 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.436 -1.757 3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -14.946 -0.959 6.041 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.110 -2.703 6.089 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.216 -2.994 7.427 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.444 -1.529 6.853 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.126 -1.136 9.130 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.163 -0.174 8.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.396 -1.227 9.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.886 -1.832 8.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.882 -2.764 9.329 1.00 0.00 H new ATOM 755 N ASN A 71 -13.154 -4.758 2.294 1.00 0.00 N ATOM 756 CA ASN A 71 -13.739 -5.481 1.144 1.00 0.00 C ATOM 757 C ASN A 71 -14.001 -6.980 1.351 1.00 0.00 C ATOM 758 O ASN A 71 -14.852 -7.553 0.673 1.00 0.00 O ATOM 759 CB ASN A 71 -12.856 -5.313 -0.096 1.00 0.00 C ATOM 760 CG ASN A 71 -13.337 -4.199 -1.025 1.00 0.00 C ATOM 761 OD1 ASN A 71 -13.875 -3.173 -0.634 1.00 0.00 O ATOM 762 ND2 ASN A 71 -13.067 -4.373 -2.300 1.00 0.00 N ATOM 0 H ASN A 71 -12.138 -4.836 2.349 1.00 0.00 H new ATOM 0 HA ASN A 71 -14.719 -5.020 1.019 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.834 -5.100 0.218 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.831 -6.253 -0.647 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.307 -3.647 -2.976 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -12.618 -5.234 -2.613 1.00 0.00 H new ATOM 766 N ASN A 72 -13.141 -7.630 2.135 1.00 0.00 N ATOM 767 CA ASN A 72 -13.300 -9.072 2.422 1.00 0.00 C ATOM 768 C ASN A 72 -13.927 -9.375 3.790 1.00 0.00 C ATOM 769 O ASN A 72 -14.891 -10.131 3.869 1.00 0.00 O ATOM 770 CB ASN A 72 -11.961 -9.809 2.291 1.00 0.00 C ATOM 771 CG ASN A 72 -11.351 -9.654 0.896 1.00 0.00 C ATOM 772 OD1 ASN A 72 -10.416 -8.898 0.681 1.00 0.00 O ATOM 773 ND2 ASN A 72 -11.916 -10.332 -0.077 1.00 0.00 N ATOM 0 H ASN A 72 -12.334 -7.195 2.582 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.002 -9.437 1.672 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.263 -9.426 3.036 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.108 -10.867 2.506 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.575 -10.232 -1.033 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.696 -10.958 0.124 1.00 0.00 H new ATOM 777 N SER A 73 -13.338 -8.792 4.835 1.00 0.00 N ATOM 778 CA SER A 73 -13.717 -8.987 6.255 1.00 0.00 C ATOM 779 C SER A 73 -12.850 -8.102 7.165 1.00 0.00 C ATOM 780 O SER A 73 -13.294 -7.049 7.612 1.00 0.00 O ATOM 781 CB SER A 73 -13.653 -10.465 6.690 1.00 0.00 C ATOM 782 OG SER A 73 -13.900 -10.595 8.093 1.00 0.00 O ATOM 0 H SER A 73 -12.556 -8.147 4.723 1.00 0.00 H new ATOM 0 HA SER A 73 -14.759 -8.683 6.356 1.00 0.00 H new ATOM 0 HB2 SER A 73 -14.388 -11.045 6.132 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.673 -10.877 6.449 1.00 0.00 H new ATOM 0 HG SER A 73 -13.713 -11.515 8.374 1.00 0.00 H new ATOM 785 N SER A 74 -11.573 -8.473 7.302 1.00 0.00 N ATOM 786 CA SER A 74 -10.620 -7.771 8.192 1.00 0.00 C ATOM 787 C SER A 74 -9.145 -8.025 7.830 1.00 0.00 C ATOM 788 O SER A 74 -8.313 -8.391 8.659 1.00 0.00 O ATOM 789 CB SER A 74 -10.915 -8.160 9.648 1.00 0.00 C ATOM 790 OG SER A 74 -10.799 -9.575 9.862 1.00 0.00 O ATOM 0 H SER A 74 -11.164 -9.264 6.805 1.00 0.00 H new ATOM 0 HA SER A 74 -10.767 -6.699 8.057 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.226 -7.636 10.310 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.921 -7.835 9.913 1.00 0.00 H new ATOM 0 HG SER A 74 -9.861 -9.844 9.770 1.00 0.00 H new ATOM 793 N ILE A 75 -8.805 -7.598 6.621 1.00 0.00 N ATOM 794 CA ILE A 75 -7.488 -7.873 6.011 1.00 0.00 C ATOM 795 C ILE A 75 -6.569 -6.650 6.160 1.00 0.00 C ATOM 796 O ILE A 75 -6.778 -5.606 5.546 1.00 0.00 O ATOM 797 CB ILE A 75 -7.647 -8.473 4.588 1.00 0.00 C ATOM 798 CG1 ILE A 75 -6.321 -8.775 3.861 1.00 0.00 C ATOM 799 CG2 ILE A 75 -8.699 -7.771 3.712 1.00 0.00 C ATOM 800 CD1 ILE A 75 -5.571 -7.592 3.229 1.00 0.00 C ATOM 0 H ILE A 75 -9.427 -7.050 6.026 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.963 -8.662 6.550 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.071 -9.459 4.777 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.650 -9.257 4.572 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.527 -9.501 3.075 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.742 -8.256 2.737 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.675 -7.836 4.193 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.426 -6.723 3.585 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.659 -7.952 2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.206 -7.116 2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.316 -6.868 4.003 1.00 0.00 H new ATOM 802 N VAL A 76 -5.564 -6.839 7.003 1.00 0.00 N ATOM 803 CA VAL A 76 -4.666 -5.773 7.486 1.00 0.00 C ATOM 804 C VAL A 76 -3.314 -5.928 6.772 1.00 0.00 C ATOM 805 O VAL A 76 -2.663 -6.961 6.864 1.00 0.00 O ATOM 806 CB VAL A 76 -4.418 -5.846 9.011 1.00 0.00 C ATOM 807 CG1 VAL A 76 -3.919 -4.492 9.529 1.00 0.00 C ATOM 808 CG2 VAL A 76 -5.614 -6.316 9.850 1.00 0.00 C ATOM 0 H VAL A 76 -5.336 -7.757 7.386 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.141 -4.815 7.273 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.659 -6.618 9.136 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.748 -4.554 10.604 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.987 -4.232 9.027 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.667 -3.726 9.325 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.335 -6.332 10.904 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.451 -5.632 9.706 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.907 -7.318 9.537 1.00 0.00 H new ATOM 810 N ILE A 77 -2.941 -4.894 6.037 1.00 0.00 N ATOM 811 CA ILE A 77 -1.632 -4.808 5.365 1.00 0.00 C ATOM 812 C ILE A 77 -0.787 -3.677 5.973 1.00 0.00 C ATOM 813 O ILE A 77 -1.285 -2.651 6.449 1.00 0.00 O ATOM 814 CB ILE A 77 -1.822 -4.789 3.828 1.00 0.00 C ATOM 815 CG1 ILE A 77 -2.046 -6.241 3.362 1.00 0.00 C ATOM 816 CG2 ILE A 77 -0.690 -4.088 3.052 1.00 0.00 C ATOM 817 CD1 ILE A 77 -2.307 -6.471 1.865 1.00 0.00 C ATOM 0 H ILE A 77 -3.534 -4.079 5.882 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.035 -5.701 5.548 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.694 -4.177 3.599 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.170 -6.824 3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.892 -6.646 3.918 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.906 -4.122 1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.617 -3.049 3.375 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.254 -4.596 3.248 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.447 -7.536 1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.204 -5.930 1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.456 -6.111 1.288 1.00 0.00 H new ATOM 819 N GLU A 78 0.494 -4.002 6.078 1.00 0.00 N ATOM 820 CA GLU A 78 1.548 -3.068 6.506 1.00 0.00 C ATOM 821 C GLU A 78 2.550 -2.829 5.382 1.00 0.00 C ATOM 822 O GLU A 78 3.061 -3.764 4.771 1.00 0.00 O ATOM 823 CB GLU A 78 2.235 -3.579 7.769 1.00 0.00 C ATOM 824 CG GLU A 78 1.382 -3.198 8.979 1.00 0.00 C ATOM 825 CD GLU A 78 1.141 -4.349 9.957 1.00 0.00 C ATOM 826 OE1 GLU A 78 0.997 -5.503 9.493 1.00 0.00 O ATOM 827 OE2 GLU A 78 1.015 -4.024 11.159 1.00 0.00 O ATOM 0 H GLU A 78 0.845 -4.936 5.866 1.00 0.00 H new ATOM 0 HA GLU A 78 1.086 -2.109 6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.360 -4.661 7.720 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.232 -3.147 7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.868 -2.379 9.510 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.420 -2.824 8.629 1.00 0.00 H new ATOM 829 N ILE A 79 2.520 -1.583 4.926 1.00 0.00 N ATOM 830 CA ILE A 79 3.345 -1.127 3.794 1.00 0.00 C ATOM 831 C ILE A 79 4.252 0.046 4.155 1.00 0.00 C ATOM 832 O ILE A 79 3.838 1.003 4.816 1.00 0.00 O ATOM 833 CB ILE A 79 2.497 -0.797 2.546 1.00 0.00 C ATOM 834 CG1 ILE A 79 1.255 0.047 2.883 1.00 0.00 C ATOM 835 CG2 ILE A 79 2.176 -2.090 1.787 1.00 0.00 C ATOM 836 CD1 ILE A 79 0.476 0.557 1.666 1.00 0.00 C ATOM 0 H ILE A 79 1.927 -0.855 5.324 1.00 0.00 H new ATOM 0 HA ILE A 79 3.990 -1.970 3.547 1.00 0.00 H new ATOM 0 HB ILE A 79 3.081 -0.161 1.881 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.585 -0.549 3.502 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.566 0.903 3.482 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.578 -1.856 0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.104 -2.570 1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.618 -2.764 2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.381 1.141 2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.125 1.184 1.055 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.129 -0.290 1.075 1.00 0.00 H new ATOM 838 N PHE A 80 5.506 -0.083 3.727 1.00 0.00 N ATOM 839 CA PHE A 80 6.478 1.016 3.798 1.00 0.00 C ATOM 840 C PHE A 80 6.695 1.564 2.397 1.00 0.00 C ATOM 841 O PHE A 80 7.012 0.825 1.461 1.00 0.00 O ATOM 842 CB PHE A 80 7.824 0.615 4.436 1.00 0.00 C ATOM 843 CG PHE A 80 8.873 1.743 4.524 1.00 0.00 C ATOM 844 CD1 PHE A 80 8.538 3.097 4.449 1.00 0.00 C ATOM 845 CD2 PHE A 80 10.215 1.396 4.648 1.00 0.00 C ATOM 846 CE1 PHE A 80 9.524 4.074 4.429 1.00 0.00 C ATOM 847 CE2 PHE A 80 11.200 2.379 4.686 1.00 0.00 C ATOM 848 CZ PHE A 80 10.855 3.718 4.567 1.00 0.00 C ATOM 0 H PHE A 80 5.879 -0.943 3.324 1.00 0.00 H new ATOM 0 HA PHE A 80 6.061 1.780 4.454 1.00 0.00 H new ATOM 0 HB2 PHE A 80 7.633 0.239 5.441 1.00 0.00 H new ATOM 0 HB3 PHE A 80 8.248 -0.209 3.863 1.00 0.00 H new ATOM 0 HD1 PHE A 80 7.499 3.387 4.406 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.495 0.355 4.715 1.00 0.00 H new ATOM 0 HE1 PHE A 80 9.253 5.112 4.306 1.00 0.00 H new ATOM 0 HE2 PHE A 80 12.236 2.099 4.808 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.621 4.479 4.582 1.00 0.00 H new ATOM 855 N ILE A 81 6.432 2.869 2.322 1.00 0.00 N ATOM 856 CA ILE A 81 6.540 3.712 1.131 1.00 0.00 C ATOM 857 C ILE A 81 7.750 4.647 1.351 1.00 0.00 C ATOM 858 O ILE A 81 7.602 5.655 2.049 1.00 0.00 O ATOM 859 CB ILE A 81 5.224 4.515 0.943 1.00 0.00 C ATOM 860 CG1 ILE A 81 3.949 3.662 0.874 1.00 0.00 C ATOM 861 CG2 ILE A 81 5.294 5.331 -0.344 1.00 0.00 C ATOM 862 CD1 ILE A 81 3.359 3.251 2.226 1.00 0.00 C ATOM 0 H ILE A 81 6.120 3.396 3.138 1.00 0.00 H new ATOM 0 HA ILE A 81 6.689 3.121 0.227 1.00 0.00 H new ATOM 0 HB ILE A 81 5.151 5.139 1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.191 4.216 0.320 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.166 2.760 0.302 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.368 5.892 -0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.134 6.024 -0.290 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.431 4.661 -1.193 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.462 2.652 2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.092 2.664 2.780 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.102 4.143 2.797 1.00 0.00 H new ATOM 864 N PRO A 82 8.962 4.230 0.944 1.00 0.00 N ATOM 865 CA PRO A 82 10.194 5.009 1.148 1.00 0.00 C ATOM 866 C PRO A 82 10.406 6.065 0.044 1.00 0.00 C ATOM 867 O PRO A 82 9.926 7.192 0.165 1.00 0.00 O ATOM 868 CB PRO A 82 11.328 3.965 1.213 1.00 0.00 C ATOM 869 CG PRO A 82 10.645 2.599 1.200 1.00 0.00 C ATOM 870 CD PRO A 82 9.305 2.861 0.523 1.00 0.00 C ATOM 0 HA PRO A 82 10.154 5.597 2.065 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.005 4.071 0.365 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.925 4.094 2.116 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.233 1.864 0.650 1.00 0.00 H new ATOM 0 HG3 PRO A 82 10.512 2.210 2.209 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.382 2.783 -0.561 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.549 2.143 0.841 1.00 0.00 H new ATOM 871 N ASN A 83 11.222 5.686 -0.941 1.00 0.00 N ATOM 872 CA ASN A 83 11.746 6.403 -2.122 1.00 0.00 C ATOM 873 C ASN A 83 12.856 5.517 -2.719 1.00 0.00 C ATOM 874 O ASN A 83 12.847 4.310 -2.473 1.00 0.00 O ATOM 875 CB ASN A 83 12.227 7.837 -1.819 1.00 0.00 C ATOM 876 CG ASN A 83 13.202 7.930 -0.645 1.00 0.00 C ATOM 877 OD1 ASN A 83 14.372 7.594 -0.746 1.00 0.00 O ATOM 878 ND2 ASN A 83 12.677 8.270 0.506 1.00 0.00 N ATOM 0 H ASN A 83 11.586 4.733 -0.933 1.00 0.00 H new ATOM 0 HA ASN A 83 10.943 6.558 -2.843 1.00 0.00 H new ATOM 0 HB2 ASN A 83 12.706 8.244 -2.709 1.00 0.00 H new ATOM 0 HB3 ASN A 83 11.360 8.463 -1.609 1.00 0.00 H new ATOM 0 HD21 ASN A 83 13.249 8.259 1.351 1.00 0.00 H new ATOM 0 HD22 ASN A 83 11.696 8.546 0.558 1.00 0.00 H new ATOM 882 N ASP A 84 13.744 6.086 -3.540 1.00 0.00 N ATOM 883 CA ASP A 84 14.901 5.384 -4.147 1.00 0.00 C ATOM 884 C ASP A 84 14.550 4.062 -4.864 1.00 0.00 C ATOM 885 O ASP A 84 15.429 3.249 -5.150 1.00 0.00 O ATOM 886 CB ASP A 84 15.994 5.149 -3.087 1.00 0.00 C ATOM 887 CG ASP A 84 16.550 6.431 -2.453 1.00 0.00 C ATOM 888 OD1 ASP A 84 16.516 7.481 -3.135 1.00 0.00 O ATOM 889 OD2 ASP A 84 17.049 6.318 -1.312 1.00 0.00 O ATOM 0 H ASP A 84 13.686 7.067 -3.813 1.00 0.00 H new ATOM 0 HA ASP A 84 15.270 6.046 -4.930 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.588 4.515 -2.299 1.00 0.00 H new ATOM 0 HB3 ASP A 84 16.816 4.600 -3.546 1.00 0.00 H new ATOM 891 N ASN A 85 13.314 4.019 -5.364 1.00 0.00 N ATOM 892 CA ASN A 85 12.665 2.858 -6.008 1.00 0.00 C ATOM 893 C ASN A 85 12.559 1.619 -5.092 1.00 0.00 C ATOM 894 O ASN A 85 13.103 0.561 -5.393 1.00 0.00 O ATOM 895 CB ASN A 85 13.379 2.528 -7.333 1.00 0.00 C ATOM 896 CG ASN A 85 13.661 3.769 -8.184 1.00 0.00 C ATOM 897 OD1 ASN A 85 12.780 4.517 -8.585 1.00 0.00 O ATOM 898 ND2 ASN A 85 14.915 4.160 -8.199 1.00 0.00 N ATOM 0 H ASN A 85 12.700 4.833 -5.333 1.00 0.00 H new ATOM 0 HA ASN A 85 11.634 3.143 -6.217 1.00 0.00 H new ATOM 0 HB2 ASN A 85 14.319 2.021 -7.116 1.00 0.00 H new ATOM 0 HB3 ASN A 85 12.766 1.832 -7.906 1.00 0.00 H new ATOM 0 HD21 ASN A 85 15.156 5.089 -8.545 1.00 0.00 H new ATOM 0 HD22 ASN A 85 15.648 3.535 -7.864 1.00 0.00 H new ATOM 902 N LYS A 86 11.752 1.740 -4.032 1.00 0.00 N ATOM 903 CA LYS A 86 11.459 0.656 -3.059 1.00 0.00 C ATOM 904 C LYS A 86 10.078 0.790 -2.392 1.00 0.00 C ATOM 905 O LYS A 86 9.555 1.900 -2.329 1.00 0.00 O ATOM 906 CB LYS A 86 12.503 0.590 -1.929 1.00 0.00 C ATOM 907 CG LYS A 86 13.853 0.017 -2.372 1.00 0.00 C ATOM 908 CD LYS A 86 14.530 -0.760 -1.238 1.00 0.00 C ATOM 909 CE LYS A 86 15.757 -1.545 -1.719 1.00 0.00 C ATOM 910 NZ LYS A 86 15.410 -2.625 -2.662 1.00 0.00 N ATOM 0 H LYS A 86 11.268 2.611 -3.813 1.00 0.00 H new ATOM 0 HA LYS A 86 11.485 -0.253 -3.661 1.00 0.00 H new ATOM 0 HB2 LYS A 86 12.657 1.592 -1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.108 -0.020 -1.116 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.707 -0.640 -3.229 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.504 0.828 -2.699 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.831 -0.065 -0.454 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.812 -1.450 -0.794 1.00 0.00 H new ATOM 0 HE2 LYS A 86 16.456 -0.860 -2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.270 -1.972 -0.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 16.197 -3.302 -2.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.555 -3.115 -2.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.233 -2.220 -3.604 1.00 0.00 H new ATOM 915 N ILE A 87 9.439 -0.360 -2.155 1.00 0.00 N ATOM 916 CA ILE A 87 8.270 -0.575 -1.263 1.00 0.00 C ATOM 917 C ILE A 87 8.280 -2.002 -0.664 1.00 0.00 C ATOM 918 O ILE A 87 8.636 -2.971 -1.338 1.00 0.00 O ATOM 919 CB ILE A 87 6.924 -0.187 -1.949 1.00 0.00 C ATOM 920 CG1 ILE A 87 6.564 1.248 -1.526 1.00 0.00 C ATOM 921 CG2 ILE A 87 5.737 -1.154 -1.753 1.00 0.00 C ATOM 922 CD1 ILE A 87 5.211 1.826 -1.976 1.00 0.00 C ATOM 0 H ILE A 87 9.734 -1.227 -2.604 1.00 0.00 H new ATOM 0 HA ILE A 87 8.360 0.108 -0.419 1.00 0.00 H new ATOM 0 HB ILE A 87 7.102 -0.260 -3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 87 6.598 1.292 -0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 87 7.347 1.910 -1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 87 4.864 -0.769 -2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 87 5.997 -2.135 -2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.511 -1.242 -0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.106 2.843 -1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 87 5.164 1.836 -3.065 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.403 1.209 -1.584 1.00 0.00 H new ATOM 924 N LEU A 88 7.748 -2.087 0.557 1.00 0.00 N ATOM 925 CA LEU A 88 7.471 -3.352 1.279 1.00 0.00 C ATOM 926 C LEU A 88 5.969 -3.541 1.544 1.00 0.00 C ATOM 927 O LEU A 88 5.281 -2.565 1.842 1.00 0.00 O ATOM 928 CB LEU A 88 8.147 -3.380 2.656 1.00 0.00 C ATOM 929 CG LEU A 88 9.600 -3.860 2.670 1.00 0.00 C ATOM 930 CD1 LEU A 88 10.574 -2.763 2.235 1.00 0.00 C ATOM 931 CD2 LEU A 88 9.943 -4.374 4.070 1.00 0.00 C ATOM 0 H LEU A 88 7.487 -1.260 1.095 1.00 0.00 H new ATOM 0 HA LEU A 88 7.858 -4.140 0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.111 -2.376 3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.564 -4.024 3.314 1.00 0.00 H new ATOM 0 HG LEU A 88 9.703 -4.669 1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.593 -3.150 2.261 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.333 -2.443 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.491 -1.913 2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.977 -4.718 4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.815 -3.570 4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.281 -5.201 4.326 1.00 0.00 H new ATOM 933 N LEU A 89 5.515 -4.793 1.451 1.00 0.00 N ATOM 934 CA LEU A 89 4.154 -5.224 1.847 1.00 0.00 C ATOM 935 C LEU A 89 4.183 -6.407 2.830 1.00 0.00 C ATOM 936 O LEU A 89 4.967 -7.340 2.672 1.00 0.00 O ATOM 937 CB LEU A 89 3.353 -5.611 0.597 1.00 0.00 C ATOM 938 CG LEU A 89 1.854 -5.857 0.808 1.00 0.00 C ATOM 939 CD1 LEU A 89 1.065 -5.270 -0.364 1.00 0.00 C ATOM 940 CD2 LEU A 89 1.564 -7.358 0.889 1.00 0.00 C ATOM 0 H LEU A 89 6.087 -5.557 1.092 1.00 0.00 H new ATOM 0 HA LEU A 89 3.677 -4.386 2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.470 -4.821 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.793 -6.514 0.173 1.00 0.00 H new ATOM 0 HG LEU A 89 1.555 -5.379 1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.000 -5.447 -0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.250 -4.198 -0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.382 -5.747 -1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.496 -7.515 1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.875 -7.839 -0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.115 -7.790 1.724 1.00 0.00 H new ATOM 942 N THR A 90 3.301 -6.319 3.820 1.00 0.00 N ATOM 943 CA THR A 90 3.022 -7.358 4.839 1.00 0.00 C ATOM 944 C THR A 90 1.513 -7.656 4.845 1.00 0.00 C ATOM 945 O THR A 90 0.713 -6.722 4.797 1.00 0.00 O ATOM 946 CB THR A 90 3.432 -6.826 6.227 1.00 0.00 C ATOM 947 OG1 THR A 90 4.784 -6.364 6.165 1.00 0.00 O ATOM 948 CG2 THR A 90 3.300 -7.859 7.355 1.00 0.00 C ATOM 0 H THR A 90 2.727 -5.486 3.951 1.00 0.00 H new ATOM 0 HA THR A 90 3.582 -8.264 4.609 1.00 0.00 H new ATOM 0 HB THR A 90 2.742 -6.018 6.470 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.053 -6.022 7.043 1.00 0.00 H new ATOM 0 HG21 THR A 90 3.607 -7.408 8.299 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.263 -8.186 7.429 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.936 -8.717 7.139 1.00 0.00 H new ATOM 951 N ILE A 91 1.174 -8.915 5.111 1.00 0.00 N ATOM 952 CA ILE A 91 -0.221 -9.409 5.190 1.00 0.00 C ATOM 953 C ILE A 91 -0.543 -9.760 6.661 1.00 0.00 C ATOM 954 O ILE A 91 0.366 -9.989 7.455 1.00 0.00 O ATOM 955 CB ILE A 91 -0.385 -10.624 4.242 1.00 0.00 C ATOM 956 CG1 ILE A 91 -0.019 -10.231 2.801 1.00 0.00 C ATOM 957 CG2 ILE A 91 -1.819 -11.182 4.265 1.00 0.00 C ATOM 958 CD1 ILE A 91 0.349 -11.413 1.894 1.00 0.00 C ATOM 0 H ILE A 91 1.866 -9.644 5.283 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.928 -8.645 4.867 1.00 0.00 H new ATOM 0 HB ILE A 91 0.290 -11.402 4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.860 -9.698 2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.820 -9.536 2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.889 -12.032 3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.068 -11.503 5.276 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.516 -10.406 3.948 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.593 -11.045 0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.211 -11.935 2.309 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.495 -12.100 1.831 1.00 0.00 H new ATOM 960 N MET A 92 -1.809 -9.568 7.026 1.00 0.00 N ATOM 961 CA MET A 92 -2.440 -9.911 8.323 1.00 0.00 C ATOM 962 C MET A 92 -3.975 -9.865 8.223 1.00 0.00 C ATOM 963 O MET A 92 -4.533 -9.342 7.259 1.00 0.00 O ATOM 964 CB MET A 92 -2.045 -8.949 9.454 1.00 0.00 C ATOM 965 CG MET A 92 -0.818 -9.430 10.228 1.00 0.00 C ATOM 966 SD MET A 92 -0.788 -8.912 11.985 1.00 0.00 S ATOM 967 CE MET A 92 -0.547 -7.153 11.855 1.00 0.00 C ATOM 0 H MET A 92 -2.478 -9.139 6.386 1.00 0.00 H new ATOM 0 HA MET A 92 -2.084 -10.915 8.553 1.00 0.00 H new ATOM 0 HB2 MET A 92 -1.843 -7.963 9.035 1.00 0.00 H new ATOM 0 HB3 MET A 92 -2.884 -8.837 10.141 1.00 0.00 H new ATOM 0 HG2 MET A 92 -0.776 -10.518 10.181 1.00 0.00 H new ATOM 0 HG3 MET A 92 0.079 -9.055 9.735 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.739 -6.687 12.821 1.00 0.00 H new ATOM 0 HE2 MET A 92 0.479 -6.948 11.551 1.00 0.00 H new ATOM 0 HE3 MET A 92 -1.233 -6.746 11.113 1.00 0.00 H new ATOM 969 N ASN A 93 -4.637 -10.439 9.225 1.00 0.00 N ATOM 970 CA ASN A 93 -6.103 -10.384 9.388 1.00 0.00 C ATOM 971 C ASN A 93 -6.493 -10.291 10.869 1.00 0.00 C ATOM 972 O ASN A 93 -6.066 -11.116 11.673 1.00 0.00 O ATOM 973 CB ASN A 93 -6.727 -11.656 8.810 1.00 0.00 C ATOM 974 CG ASN A 93 -7.471 -11.476 7.487 1.00 0.00 C ATOM 975 OD1 ASN A 93 -6.924 -11.546 6.398 1.00 0.00 O ATOM 976 ND2 ASN A 93 -8.766 -11.259 7.558 1.00 0.00 N ATOM 0 H ASN A 93 -4.170 -10.966 9.963 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.466 -9.499 8.865 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.939 -12.395 8.667 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -7.420 -12.067 9.544 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -9.312 -11.149 6.704 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -9.224 -11.200 8.467 1.00 0.00 H new ATOM 980 N THR A 94 -7.471 -9.434 11.157 1.00 0.00 N ATOM 981 CA THR A 94 -8.055 -9.278 12.513 1.00 0.00 C ATOM 982 C THR A 94 -8.730 -10.578 13.006 1.00 0.00 C ATOM 983 O THR A 94 -8.858 -10.797 14.208 1.00 0.00 O ATOM 984 CB THR A 94 -9.066 -8.116 12.550 1.00 0.00 C ATOM 985 OG1 THR A 94 -8.569 -7.012 11.783 1.00 0.00 O ATOM 986 CG2 THR A 94 -9.357 -7.635 13.974 1.00 0.00 C ATOM 0 H THR A 94 -7.892 -8.819 10.461 1.00 0.00 H new ATOM 0 HA THR A 94 -7.229 -9.051 13.187 1.00 0.00 H new ATOM 0 HB THR A 94 -9.996 -8.494 12.126 1.00 0.00 H new ATOM 0 HG1 THR A 94 -9.217 -6.277 11.809 1.00 0.00 H new ATOM 0 HG21 THR A 94 -10.075 -6.816 13.942 1.00 0.00 H new ATOM 0 HG22 THR A 94 -9.770 -8.457 14.558 1.00 0.00 H new ATOM 0 HG23 THR A 94 -8.433 -7.289 14.437 1.00 0.00 H new ATOM 989 N GLU A 95 -9.189 -11.404 12.063 1.00 0.00 N ATOM 990 CA GLU A 95 -9.788 -12.724 12.359 1.00 0.00 C ATOM 991 C GLU A 95 -8.975 -13.948 11.871 1.00 0.00 C ATOM 992 O GLU A 95 -9.504 -15.059 11.831 1.00 0.00 O ATOM 993 CB GLU A 95 -11.225 -12.797 11.807 1.00 0.00 C ATOM 994 CG GLU A 95 -11.306 -12.744 10.274 1.00 0.00 C ATOM 995 CD GLU A 95 -12.498 -13.541 9.739 1.00 0.00 C ATOM 996 OE1 GLU A 95 -13.579 -12.929 9.590 1.00 0.00 O ATOM 997 OE2 GLU A 95 -12.284 -14.727 9.413 1.00 0.00 O ATOM 0 H GLU A 95 -9.159 -11.183 11.068 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.785 -12.792 13.447 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.691 -13.719 12.154 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.805 -11.972 12.221 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -11.388 -11.706 9.950 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -10.384 -13.139 9.848 1.00 0.00 H new ATOM 999 N ALA A 96 -7.688 -13.755 11.573 1.00 0.00 N ATOM 1000 CA ALA A 96 -6.816 -14.794 10.970 1.00 0.00 C ATOM 1001 C ALA A 96 -5.325 -14.391 11.051 1.00 0.00 C ATOM 1002 O ALA A 96 -4.943 -13.659 11.959 1.00 0.00 O ATOM 1003 CB ALA A 96 -7.287 -15.120 9.537 1.00 0.00 C ATOM 0 H ALA A 96 -7.208 -12.871 11.740 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.904 -15.714 11.547 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.639 -15.883 9.106 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.312 -15.488 9.566 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.242 -14.219 8.926 1.00 0.00 H new ATOM 1005 N LEU A 97 -4.492 -14.853 10.114 1.00 0.00 N ATOM 1006 CA LEU A 97 -3.024 -14.682 10.177 1.00 0.00 C ATOM 1007 C LEU A 97 -2.478 -13.860 8.990 1.00 0.00 C ATOM 1008 O LEU A 97 -3.224 -13.081 8.396 1.00 0.00 O ATOM 1009 CB LEU A 97 -2.357 -16.066 10.301 1.00 0.00 C ATOM 1010 CG LEU A 97 -2.591 -16.758 11.651 1.00 0.00 C ATOM 1011 CD1 LEU A 97 -3.854 -17.629 11.644 1.00 0.00 C ATOM 1012 CD2 LEU A 97 -1.364 -17.588 12.029 1.00 0.00 C ATOM 0 H LEU A 97 -4.810 -15.358 9.286 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.774 -14.099 11.063 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.732 -16.710 9.505 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.284 -15.955 10.143 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.746 -15.982 12.400 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.978 -18.098 12.620 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.723 -17.008 11.427 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.760 -18.401 10.880 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.537 -18.076 12.988 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.186 -18.344 11.264 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.493 -16.937 12.105 1.00 0.00 H new ATOM 1014 N GLY A 98 -1.183 -14.033 8.676 1.00 0.00 N ATOM 1015 CA GLY A 98 -0.521 -13.316 7.565 1.00 0.00 C ATOM 1016 C GLY A 98 0.868 -12.740 7.890 1.00 0.00 C ATOM 1017 O GLY A 98 1.613 -12.405 6.970 1.00 0.00 O ATOM 0 H GLY A 98 -0.566 -14.669 9.180 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.425 -13.998 6.720 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.169 -12.500 7.244 1.00 0.00 H new ATOM 1019 N THR A 99 1.140 -12.516 9.175 1.00 0.00 N ATOM 1020 CA THR A 99 2.425 -12.002 9.703 1.00 0.00 C ATOM 1021 C THR A 99 3.620 -12.953 9.488 1.00 0.00 C ATOM 1022 O THR A 99 4.160 -13.537 10.429 1.00 0.00 O ATOM 1023 CB THR A 99 2.307 -11.671 11.205 1.00 0.00 C ATOM 1024 OG1 THR A 99 0.961 -11.796 11.688 1.00 0.00 O ATOM 1025 CG2 THR A 99 2.863 -10.273 11.484 1.00 0.00 C ATOM 0 H THR A 99 0.455 -12.690 9.911 1.00 0.00 H new ATOM 0 HA THR A 99 2.629 -11.099 9.127 1.00 0.00 H new ATOM 0 HB THR A 99 2.903 -12.404 11.750 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.591 -10.905 11.859 1.00 0.00 H new ATOM 0 HG21 THR A 99 2.774 -10.052 12.548 1.00 0.00 H new ATOM 0 HG22 THR A 99 3.912 -10.234 11.192 1.00 0.00 H new ATOM 0 HG23 THR A 99 2.299 -9.536 10.912 1.00 0.00 H new ATOM 1028 N SER A 100 3.997 -13.090 8.217 1.00 0.00 N ATOM 1029 CA SER A 100 5.159 -13.881 7.744 1.00 0.00 C ATOM 1030 C SER A 100 5.554 -13.717 6.262 1.00 0.00 C ATOM 1031 O SER A 100 6.759 -13.641 6.010 1.00 0.00 O ATOM 1032 CB SER A 100 5.111 -15.369 8.141 1.00 0.00 C ATOM 1033 OG SER A 100 3.828 -15.954 7.891 1.00 0.00 O ATOM 0 H SER A 100 3.491 -12.642 7.453 1.00 0.00 H new ATOM 0 HA SER A 100 5.968 -13.409 8.301 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.873 -15.916 7.585 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.354 -15.469 9.199 1.00 0.00 H new ATOM 0 HG SER A 100 3.842 -16.898 8.155 1.00 0.00 H new ATOM 1036 N PRO A 101 4.632 -13.654 5.281 1.00 0.00 N ATOM 1037 CA PRO A 101 4.986 -13.223 3.915 1.00 0.00 C ATOM 1038 C PRO A 101 5.146 -11.702 3.796 1.00 0.00 C ATOM 1039 O PRO A 101 4.423 -10.922 4.417 1.00 0.00 O ATOM 1040 CB PRO A 101 3.869 -13.752 3.012 1.00 0.00 C ATOM 1041 CG PRO A 101 2.667 -13.832 3.949 1.00 0.00 C ATOM 1042 CD PRO A 101 3.292 -14.273 5.271 1.00 0.00 C ATOM 0 HA PRO A 101 5.958 -13.621 3.625 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.680 -13.083 2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.118 -14.727 2.593 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.163 -12.870 4.042 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.925 -14.548 3.594 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.696 -13.940 6.121 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.358 -15.359 5.334 1.00 0.00 H new ATOM 1043 N ARG A 102 6.143 -11.338 2.994 1.00 0.00 N ATOM 1044 CA ARG A 102 6.481 -9.948 2.648 1.00 0.00 C ATOM 1045 C ARG A 102 6.879 -9.862 1.166 1.00 0.00 C ATOM 1046 O ARG A 102 7.528 -10.760 0.626 1.00 0.00 O ATOM 1047 CB ARG A 102 7.602 -9.470 3.589 1.00 0.00 C ATOM 1048 CG ARG A 102 8.237 -8.127 3.199 1.00 0.00 C ATOM 1049 CD ARG A 102 9.758 -8.249 3.033 1.00 0.00 C ATOM 1050 NE ARG A 102 10.116 -9.314 2.074 1.00 0.00 N ATOM 1051 CZ ARG A 102 10.758 -10.450 2.365 1.00 0.00 C ATOM 1052 NH1 ARG A 102 11.173 -10.731 3.594 1.00 0.00 N ATOM 1053 NH2 ARG A 102 10.799 -11.428 1.473 1.00 0.00 N ATOM 0 H ARG A 102 6.760 -12.018 2.550 1.00 0.00 H new ATOM 0 HA ARG A 102 5.621 -9.292 2.782 1.00 0.00 H new ATOM 0 HB2 ARG A 102 7.200 -9.387 4.599 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.382 -10.231 3.618 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.796 -7.772 2.268 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.012 -7.382 3.962 1.00 0.00 H new ATOM 0 HD2 ARG A 102 10.165 -7.298 2.690 1.00 0.00 H new ATOM 0 HD3 ARG A 102 10.214 -8.461 4.000 1.00 0.00 H new ATOM 0 HE ARG A 102 9.849 -9.169 1.100 1.00 0.00 H new ATOM 0 HH11 ARG A 102 11.005 -10.070 4.353 1.00 0.00 H new ATOM 0 HH12 ARG A 102 11.660 -11.608 3.780 1.00 0.00 H new ATOM 0 HH21 ARG A 102 10.342 -11.313 0.568 1.00 0.00 H new ATOM 0 HH22 ARG A 102 11.288 -12.297 1.691 1.00 0.00 H new ATOM 1060 N MET A 103 6.469 -8.764 0.534 1.00 0.00 N ATOM 1061 CA MET A 103 6.796 -8.489 -0.876 1.00 0.00 C ATOM 1062 C MET A 103 7.518 -7.145 -1.040 1.00 0.00 C ATOM 1063 O MET A 103 7.132 -6.137 -0.443 1.00 0.00 O ATOM 1064 CB MET A 103 5.504 -8.541 -1.693 1.00 0.00 C ATOM 1065 CG MET A 103 5.778 -8.863 -3.165 1.00 0.00 C ATOM 1066 SD MET A 103 4.268 -9.308 -4.101 1.00 0.00 S ATOM 1067 CE MET A 103 3.827 -10.835 -3.297 1.00 0.00 C ATOM 0 H MET A 103 5.903 -8.039 0.976 1.00 0.00 H new ATOM 0 HA MET A 103 7.487 -9.248 -1.242 1.00 0.00 H new ATOM 0 HB2 MET A 103 4.838 -9.295 -1.273 1.00 0.00 H new ATOM 0 HB3 MET A 103 4.988 -7.584 -1.620 1.00 0.00 H new ATOM 0 HG2 MET A 103 6.249 -8.001 -3.637 1.00 0.00 H new ATOM 0 HG3 MET A 103 6.490 -9.687 -3.223 1.00 0.00 H new ATOM 0 HE1 MET A 103 3.382 -11.514 -4.024 1.00 0.00 H new ATOM 0 HE2 MET A 103 4.720 -11.293 -2.872 1.00 0.00 H new ATOM 0 HE3 MET A 103 3.109 -10.633 -2.502 1.00 0.00 H new ATOM 1069 N THR A 104 8.610 -7.205 -1.796 1.00 0.00 N ATOM 1070 CA THR A 104 9.480 -6.056 -2.114 1.00 0.00 C ATOM 1071 C THR A 104 9.416 -5.659 -3.592 1.00 0.00 C ATOM 1072 O THR A 104 10.161 -6.138 -4.448 1.00 0.00 O ATOM 1073 CB THR A 104 10.938 -6.294 -1.687 1.00 0.00 C ATOM 1074 OG1 THR A 104 11.235 -7.692 -1.575 1.00 0.00 O ATOM 1075 CG2 THR A 104 11.253 -5.538 -0.396 1.00 0.00 C ATOM 0 H THR A 104 8.931 -8.075 -2.221 1.00 0.00 H new ATOM 0 HA THR A 104 9.088 -5.223 -1.531 1.00 0.00 H new ATOM 0 HB THR A 104 11.587 -5.899 -2.469 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.170 -7.807 -1.304 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.289 -5.720 -0.111 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.102 -4.470 -0.554 1.00 0.00 H new ATOM 0 HG23 THR A 104 10.592 -5.884 0.399 1.00 0.00 H new ATOM 1078 N PHE A 105 8.577 -4.659 -3.820 1.00 0.00 N ATOM 1079 CA PHE A 105 8.279 -4.113 -5.159 1.00 0.00 C ATOM 1080 C PHE A 105 9.067 -2.810 -5.253 1.00 0.00 C ATOM 1081 O PHE A 105 8.942 -1.923 -4.409 1.00 0.00 O ATOM 1082 CB PHE A 105 6.804 -3.744 -5.371 1.00 0.00 C ATOM 1083 CG PHE A 105 5.812 -4.534 -4.519 1.00 0.00 C ATOM 1084 CD1 PHE A 105 5.741 -4.225 -3.171 1.00 0.00 C ATOM 1085 CD2 PHE A 105 4.892 -5.408 -5.084 1.00 0.00 C ATOM 1086 CE1 PHE A 105 4.747 -4.764 -2.380 1.00 0.00 C ATOM 1087 CE2 PHE A 105 3.904 -5.965 -4.282 1.00 0.00 C ATOM 1088 CZ PHE A 105 3.829 -5.645 -2.933 1.00 0.00 C ATOM 0 H PHE A 105 8.068 -4.187 -3.072 1.00 0.00 H new ATOM 0 HA PHE A 105 8.533 -4.872 -5.899 1.00 0.00 H new ATOM 0 HB2 PHE A 105 6.677 -2.682 -5.160 1.00 0.00 H new ATOM 0 HB3 PHE A 105 6.556 -3.892 -6.422 1.00 0.00 H new ATOM 0 HD1 PHE A 105 6.469 -3.557 -2.735 1.00 0.00 H new ATOM 0 HD2 PHE A 105 4.944 -5.652 -6.135 1.00 0.00 H new ATOM 0 HE1 PHE A 105 4.684 -4.501 -1.334 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.189 -6.652 -4.711 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.058 -6.081 -2.315 1.00 0.00 H new ATOM 1095 N ILE A 106 10.069 -2.867 -6.113 1.00 0.00 N ATOM 1096 CA ILE A 106 11.053 -1.784 -6.270 1.00 0.00 C ATOM 1097 C ILE A 106 10.985 -1.210 -7.695 1.00 0.00 C ATOM 1098 O ILE A 106 10.988 -1.969 -8.665 1.00 0.00 O ATOM 1099 CB ILE A 106 12.463 -2.260 -5.838 1.00 0.00 C ATOM 1100 CG1 ILE A 106 13.123 -3.345 -6.709 1.00 0.00 C ATOM 1101 CG2 ILE A 106 12.467 -2.630 -4.347 1.00 0.00 C ATOM 1102 CD1 ILE A 106 12.486 -4.743 -6.720 1.00 0.00 C ATOM 0 H ILE A 106 10.233 -3.664 -6.729 1.00 0.00 H new ATOM 0 HA ILE A 106 10.810 -0.958 -5.602 1.00 0.00 H new ATOM 0 HB ILE A 106 13.109 -1.399 -6.008 1.00 0.00 H new ATOM 0 HG12 ILE A 106 13.148 -2.980 -7.736 1.00 0.00 H new ATOM 0 HG13 ILE A 106 14.158 -3.451 -6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 106 13.464 -2.963 -4.057 1.00 0.00 H new ATOM 0 HG22 ILE A 106 12.189 -1.758 -3.755 1.00 0.00 H new ATOM 0 HG23 ILE A 106 11.751 -3.432 -4.169 1.00 0.00 H new ATOM 0 HD11 ILE A 106 13.059 -5.399 -7.376 1.00 0.00 H new ATOM 0 HD12 ILE A 106 12.486 -5.151 -5.709 1.00 0.00 H new ATOM 0 HD13 ILE A 106 11.460 -4.673 -7.082 1.00 0.00 H new ATOM 1104 N LYS A 107 10.780 0.106 -7.786 1.00 0.00 N ATOM 1105 CA LYS A 107 10.526 0.841 -9.048 1.00 0.00 C ATOM 1106 C LYS A 107 11.799 0.954 -9.920 1.00 0.00 C ATOM 1107 O LYS A 107 12.281 2.036 -10.240 1.00 0.00 O ATOM 1108 CB LYS A 107 9.941 2.224 -8.699 1.00 0.00 C ATOM 1109 CG LYS A 107 8.894 2.780 -9.677 1.00 0.00 C ATOM 1110 CD LYS A 107 9.373 2.916 -11.126 1.00 0.00 C ATOM 1111 CE LYS A 107 8.337 3.619 -12.003 1.00 0.00 C ATOM 1112 NZ LYS A 107 8.654 3.429 -13.425 1.00 0.00 N ATOM 0 H LYS A 107 10.784 0.715 -6.968 1.00 0.00 H new ATOM 0 HA LYS A 107 9.806 0.286 -9.650 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.489 2.166 -7.709 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.762 2.938 -8.633 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.019 2.130 -9.658 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.571 3.759 -9.323 1.00 0.00 H new ATOM 0 HD2 LYS A 107 10.308 3.476 -11.149 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.583 1.927 -11.534 1.00 0.00 H new ATOM 0 HE2 LYS A 107 7.343 3.225 -11.790 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.315 4.683 -11.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.622 4.347 -13.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.606 3.021 -13.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 7.958 2.785 -13.853 1.00 0.00 H new ATOM 1117 N HIS A 108 12.317 -0.230 -10.252 1.00 0.00 N ATOM 1118 CA HIS A 108 13.534 -0.555 -11.035 1.00 0.00 C ATOM 1119 C HIS A 108 14.654 -1.050 -10.110 1.00 0.00 C ATOM 1120 O HIS A 108 15.202 -0.318 -9.291 1.00 0.00 O ATOM 1121 CB HIS A 108 14.057 0.536 -11.991 1.00 0.00 C ATOM 1122 CG HIS A 108 12.996 0.942 -13.021 1.00 0.00 C ATOM 1123 ND1 HIS A 108 12.067 0.137 -13.526 1.00 0.00 N ATOM 1124 CD2 HIS A 108 12.740 2.174 -13.459 1.00 0.00 C ATOM 1125 CE1 HIS A 108 11.236 0.866 -14.262 1.00 0.00 C ATOM 1126 NE2 HIS A 108 11.652 2.126 -14.226 1.00 0.00 N ATOM 0 H HIS A 108 11.850 -1.085 -9.951 1.00 0.00 H new ATOM 0 HA HIS A 108 13.207 -1.349 -11.706 1.00 0.00 H new ATOM 0 HB2 HIS A 108 14.359 1.411 -11.415 1.00 0.00 H new ATOM 0 HB3 HIS A 108 14.945 0.172 -12.507 1.00 0.00 H new ATOM 0 HD2 HIS A 108 13.315 3.059 -13.231 1.00 0.00 H new ATOM 0 HE1 HIS A 108 10.373 0.498 -14.796 1.00 0.00 H new ATOM 0 HE2 HIS A 108 11.216 2.917 -14.701 1.00 0.00 H new ATOM 1129 N LYS A 109 14.812 -2.371 -10.141 1.00 0.00 N ATOM 1130 CA LYS A 109 15.799 -3.126 -9.329 1.00 0.00 C ATOM 1131 C LYS A 109 17.254 -2.660 -9.548 1.00 0.00 C ATOM 1132 O LYS A 109 18.012 -2.665 -8.556 1.00 99.99 O ATOM 1133 CG LYS A 109 14.319 -5.176 -9.847 1.00 0.00 C ATOM 1134 CD LYS A 109 14.284 -6.703 -9.923 1.00 0.00 C ATOM 1135 CE LYS A 109 12.932 -7.183 -10.456 1.00 0.00 C ATOM 1136 NZ LYS A 109 12.848 -7.004 -11.914 1.00 0.00 N ATOM 1137 OXT LYS A 109 17.588 -2.377 -10.724 1.00 99.99 O ATOM 0 H LYS A 109 14.250 -2.973 -10.742 1.00 0.00 H new ATOM 0 HD2 LYS A 109 15.084 -7.059 -10.572 1.00 0.00 H new ATOM 0 HD3 LYS A 109 14.463 -7.126 -8.935 1.00 0.00 H new ATOM 0 HE2 LYS A 109 12.791 -8.235 -10.206 1.00 0.00 H new ATOM 0 HE3 LYS A 109 12.128 -6.629 -9.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 11.922 -7.337 -12.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 12.960 -5.997 -12.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 13.602 -7.552 -12.375 1.00 0.00 H new TER 1142 LYS A 109