USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 812 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 24 TYR OH : rot -68:sc= 2.04 USER MOD Set 1.2: A 62 CYS SG : rot 98:sc= 0.0795 USER MOD Set 2.1: A 58 SER OG : rot 58:sc= 0.626 USER MOD Set 2.2: A 61 GLN : amide:sc= -0.0863 K(o=0.54,f=1.7) USER MOD Set 3.1: A 54 ASN : amide:sc= -0.693 K(o=-0.99,f=-8!) USER MOD Set 3.2: A 56 THR OG1 : rot 120:sc= -0.301 USER MOD Set 4.1: A 39 THR OG1 : rot 65:sc= 1.25 USER MOD Set 4.2: A 83 HIS : no HE2:sc= 0.94 K(o=2.2,f=-8.5!) USER MOD Set 5.1: A 22 GLN : amide:sc= 0.0729 K(o=-0.12,f=-6.6!) USER MOD Set 5.2: A 88 CYS SG : rot 160:sc= -0.193 USER MOD Set 6.1: A 11 GLN : amide:sc= 1.21 K(o=2.2,f=-0.66) USER MOD Set 6.2: A 19 TYR OH : rot 107:sc= 0.964 USER MOD Set 7.1: A 8 LYS NZ :NH3+ 174:sc= 1.89 (180deg=0.901) USER MOD Set 7.2: A 9 ASN : amide:sc= 0.489 K(o=2.4,f=-6.2!) USER MOD Single : A 1 MET CE :methyl -172:sc= -0.0612 (180deg=-0.195) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.0292 (180deg=-0.247) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 170:sc= -0.0494 (180deg=-0.236) USER MOD Single : A 5 GLN : amide:sc= 0.466 K(o=0.47,f=-0.35) USER MOD Single : A 6 ASN : amide:sc= -0.0207 K(o=-0.021,f=-1.3!) USER MOD Single : A 10 TYR OH : rot -124:sc= 1.01 USER MOD Single : A 12 HIS : no HD1:sc= -0.0228 X(o=-0.023,f=-0.22) USER MOD Single : A 17 SER OG : rot 80:sc= 0.842 USER MOD Single : A 20 MET CE :methyl -163:sc= 0 (180deg=-0.741) USER MOD Single : A 21 SER OG : rot -85:sc= 0.642 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.221 K(o=-0.22,f=-0.82) USER MOD Single : A 34 THR OG1 : rot 52:sc= 1.08 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 153:sc= 0.85 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 79:sc= -1.52 USER MOD Single : A 55 SER OG : rot -53:sc= 0.67 USER MOD Single : A 66 THR OG1 : rot -104:sc= 0.899 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 144:sc= 1.1 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 173:sc= 0.95 (180deg=0.919) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.321 X(o=-0.32,f=-0.008) USER MOD Single : A 98 MET CE :methyl -176:sc= -0.127 (180deg=-0.166) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HE2:sc= 0.86 K(o=0.86,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.027 -2.320 -0.092 1.00 0.00 N ATOM 2 CA MET A 1 -0.662 -3.760 0.054 1.00 0.00 C ATOM 3 C MET A 1 -1.752 -4.683 -0.524 1.00 0.00 C ATOM 4 O MET A 1 -1.459 -5.777 -1.005 1.00 0.00 O ATOM 5 CB MET A 1 -0.420 -4.100 1.524 1.00 0.00 C ATOM 6 CG MET A 1 0.782 -3.401 2.142 1.00 0.00 C ATOM 7 SD MET A 1 2.324 -3.782 1.288 1.00 0.00 S ATOM 8 CE MET A 1 2.540 -5.503 1.729 1.00 0.00 C ATOM 0 H1 MET A 1 -0.175 -1.733 0.016 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.440 -2.160 -1.033 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.720 -2.062 0.639 1.00 0.00 H new ATOM 0 HA MET A 1 0.255 -3.925 -0.511 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.310 -3.839 2.096 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.286 -5.178 1.618 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.619 -2.323 2.125 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.869 -3.694 3.188 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.520 -5.844 1.396 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.466 -5.613 2.811 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.765 -6.101 1.249 1.00 0.00 H new ATOM 20 N SER A 2 -3.004 -4.229 -0.484 1.00 0.00 N ATOM 21 CA SER A 2 -4.156 -5.023 -0.953 1.00 0.00 C ATOM 22 C SER A 2 -4.114 -5.302 -2.467 1.00 0.00 C ATOM 23 O SER A 2 -4.701 -6.279 -2.940 1.00 0.00 O ATOM 24 CB SER A 2 -5.446 -4.311 -0.595 1.00 0.00 C ATOM 25 OG SER A 2 -5.590 -3.102 -1.287 1.00 0.00 O ATOM 0 H SER A 2 -3.255 -3.306 -0.129 1.00 0.00 H new ATOM 0 HA SER A 2 -4.106 -5.989 -0.451 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.292 -4.960 -0.820 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.468 -4.119 0.478 1.00 0.00 H new ATOM 0 HG SER A 2 -6.434 -2.676 -1.029 1.00 0.00 H new ATOM 31 N TRP A 3 -3.438 -4.441 -3.227 1.00 0.00 N ATOM 32 CA TRP A 3 -3.215 -4.691 -4.660 1.00 0.00 C ATOM 33 C TRP A 3 -2.544 -6.050 -4.922 1.00 0.00 C ATOM 34 O TRP A 3 -2.778 -6.670 -5.962 1.00 0.00 O ATOM 35 CB TRP A 3 -2.366 -3.569 -5.261 1.00 0.00 C ATOM 36 CG TRP A 3 -0.966 -3.527 -4.724 1.00 0.00 C ATOM 37 CD1 TRP A 3 -0.534 -2.846 -3.627 1.00 0.00 C ATOM 38 CD2 TRP A 3 0.182 -4.193 -5.262 1.00 0.00 C ATOM 39 NE1 TRP A 3 0.812 -3.044 -3.446 1.00 0.00 N ATOM 40 CE2 TRP A 3 1.276 -3.870 -4.439 1.00 0.00 C ATOM 41 CE3 TRP A 3 0.391 -5.033 -6.363 1.00 0.00 C ATOM 42 CZ2 TRP A 3 2.553 -4.351 -4.677 1.00 0.00 C ATOM 43 CZ3 TRP A 3 1.672 -5.517 -6.601 1.00 0.00 C ATOM 44 CH2 TRP A 3 2.722 -5.186 -5.782 1.00 0.00 C ATOM 0 H TRP A 3 -3.036 -3.569 -2.882 1.00 0.00 H new ATOM 0 HA TRP A 3 -4.194 -4.714 -5.139 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -2.328 -3.692 -6.343 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -2.851 -2.612 -5.066 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -1.160 -2.238 -2.991 1.00 0.00 H new ATOM 0 HE1 TRP A 3 1.375 -2.643 -2.696 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.428 -5.300 -7.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 3.382 -4.091 -4.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.844 -6.166 -7.447 1.00 0.00 H new ATOM 0 HH2 TRP A 3 3.703 -5.582 -5.998 1.00 0.00 H new ATOM 55 N MET A 4 -1.729 -6.521 -3.980 1.00 0.00 N ATOM 56 CA MET A 4 -1.068 -7.824 -4.132 1.00 0.00 C ATOM 57 C MET A 4 -2.124 -8.933 -4.276 1.00 0.00 C ATOM 58 O MET A 4 -2.049 -9.774 -5.180 1.00 0.00 O ATOM 59 CB MET A 4 -0.155 -8.102 -2.940 1.00 0.00 C ATOM 60 CG MET A 4 1.076 -7.208 -2.867 1.00 0.00 C ATOM 61 SD MET A 4 2.008 -7.433 -1.340 1.00 0.00 S ATOM 62 CE MET A 4 2.613 -9.105 -1.555 1.00 0.00 C ATOM 0 H MET A 4 -1.510 -6.031 -3.113 1.00 0.00 H new ATOM 0 HA MET A 4 -0.454 -7.806 -5.033 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.730 -7.983 -2.022 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.168 -9.142 -2.981 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.724 -7.418 -3.718 1.00 0.00 H new ATOM 0 HG3 MET A 4 0.769 -6.166 -2.950 1.00 0.00 H new ATOM 0 HE1 MET A 4 3.349 -9.328 -0.783 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.782 -9.806 -1.477 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.077 -9.201 -2.537 1.00 0.00 H new ATOM 72 N GLN A 5 -3.101 -8.936 -3.363 1.00 0.00 N ATOM 73 CA GLN A 5 -4.225 -9.879 -3.423 1.00 0.00 C ATOM 74 C GLN A 5 -5.086 -9.641 -4.670 1.00 0.00 C ATOM 75 O GLN A 5 -5.531 -10.588 -5.312 1.00 0.00 O ATOM 76 CB GLN A 5 -5.110 -9.746 -2.169 1.00 0.00 C ATOM 77 CG GLN A 5 -4.511 -10.359 -0.913 1.00 0.00 C ATOM 78 CD GLN A 5 -5.457 -10.330 0.282 1.00 0.00 C ATOM 79 OE1 GLN A 5 -6.304 -9.451 0.401 1.00 0.00 O ATOM 80 NE2 GLN A 5 -5.339 -11.305 1.161 1.00 0.00 N ATOM 0 H GLN A 5 -3.137 -8.294 -2.571 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.804 -10.883 -3.471 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.305 -8.689 -1.986 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.073 -10.218 -2.366 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.229 -11.392 -1.120 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.596 -9.824 -0.657 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.624 -12.022 1.035 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.962 -11.343 1.968 1.00 0.00 H new ATOM 89 N ASN A 6 -5.291 -8.366 -5.007 1.00 0.00 N ATOM 90 CA ASN A 6 -6.118 -7.962 -6.159 1.00 0.00 C ATOM 91 C ASN A 6 -5.548 -8.470 -7.496 1.00 0.00 C ATOM 92 O ASN A 6 -6.266 -8.560 -8.491 1.00 0.00 O ATOM 93 CB ASN A 6 -6.289 -6.456 -6.209 1.00 0.00 C ATOM 94 CG ASN A 6 -7.210 -5.915 -5.150 1.00 0.00 C ATOM 95 OD1 ASN A 6 -8.035 -6.644 -4.586 1.00 0.00 O ATOM 96 ND2 ASN A 6 -7.129 -4.627 -4.935 1.00 0.00 N ATOM 0 H ASN A 6 -4.891 -7.581 -4.493 1.00 0.00 H new ATOM 0 HA ASN A 6 -7.094 -8.426 -6.016 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.312 -5.985 -6.103 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.673 -6.176 -7.190 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.765 -4.179 -4.275 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.430 -4.071 -5.427 1.00 0.00 H new ATOM 103 N LEU A 7 -4.259 -8.792 -7.513 1.00 0.00 N ATOM 104 CA LEU A 7 -3.628 -9.372 -8.705 1.00 0.00 C ATOM 105 C LEU A 7 -3.491 -10.898 -8.571 1.00 0.00 C ATOM 106 O LEU A 7 -4.031 -11.656 -9.375 1.00 0.00 O ATOM 107 CB LEU A 7 -2.257 -8.729 -8.942 1.00 0.00 C ATOM 108 CG LEU A 7 -2.289 -7.239 -9.306 1.00 0.00 C ATOM 109 CD1 LEU A 7 -0.869 -6.707 -9.454 1.00 0.00 C ATOM 110 CD2 LEU A 7 -3.073 -7.046 -10.595 1.00 0.00 C ATOM 0 H LEU A 7 -3.629 -8.664 -6.721 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.267 -9.167 -9.564 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.654 -8.854 -8.042 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.752 -9.271 -9.742 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.782 -6.681 -8.509 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.902 -5.649 -9.712 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.333 -6.834 -8.514 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.355 -7.257 -10.242 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.095 -5.987 -10.852 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.594 -7.605 -11.399 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.092 -7.407 -10.459 1.00 0.00 H new ATOM 122 N LYS A 8 -2.781 -11.333 -7.529 1.00 0.00 N ATOM 123 CA LYS A 8 -2.317 -12.721 -7.392 1.00 0.00 C ATOM 124 C LYS A 8 -3.465 -13.737 -7.119 1.00 0.00 C ATOM 125 O LYS A 8 -3.327 -14.921 -7.426 1.00 0.00 O ATOM 126 CB LYS A 8 -1.275 -12.804 -6.275 1.00 0.00 C ATOM 127 CG LYS A 8 -1.860 -12.812 -4.868 1.00 0.00 C ATOM 128 CD LYS A 8 -0.764 -12.767 -3.814 1.00 0.00 C ATOM 129 CE LYS A 8 -1.330 -12.434 -2.442 1.00 0.00 C ATOM 130 NZ LYS A 8 -2.261 -13.486 -1.952 1.00 0.00 N ATOM 0 H LYS A 8 -2.509 -10.732 -6.751 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.879 -13.001 -8.350 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.682 -13.708 -6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.593 -11.959 -6.367 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.523 -11.956 -4.743 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.465 -13.708 -4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.254 -13.729 -3.775 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.019 -12.022 -4.093 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.512 -12.315 -1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.854 -11.479 -2.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.544 -13.271 -0.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.105 -13.513 -2.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.785 -14.411 -1.979 1.00 0.00 H new ATOM 144 N ASN A 9 -4.587 -13.287 -6.539 1.00 0.00 N ATOM 145 CA ASN A 9 -5.616 -14.213 -6.026 1.00 0.00 C ATOM 146 C ASN A 9 -6.496 -14.762 -7.157 1.00 0.00 C ATOM 147 O ASN A 9 -7.411 -15.550 -6.917 1.00 0.00 O ATOM 148 CB ASN A 9 -6.481 -13.549 -4.970 1.00 0.00 C ATOM 149 CG ASN A 9 -5.797 -13.388 -3.642 1.00 0.00 C ATOM 150 OD1 ASN A 9 -4.715 -13.936 -3.407 1.00 0.00 O ATOM 151 ND2 ASN A 9 -6.462 -12.704 -2.744 1.00 0.00 N ATOM 0 H ASN A 9 -4.807 -12.299 -6.413 1.00 0.00 H new ATOM 0 HA ASN A 9 -5.088 -15.049 -5.566 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.790 -12.568 -5.331 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -7.388 -14.138 -4.833 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -6.090 -12.605 -1.800 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.352 -12.270 -2.989 1.00 0.00 H new ATOM 158 N TYR A 10 -6.220 -14.331 -8.385 1.00 0.00 N ATOM 159 CA TYR A 10 -6.877 -14.890 -9.570 1.00 0.00 C ATOM 160 C TYR A 10 -6.041 -14.683 -10.839 1.00 0.00 C ATOM 161 O TYR A 10 -5.171 -13.811 -10.893 1.00 0.00 O ATOM 162 CB TYR A 10 -8.263 -14.267 -9.752 1.00 0.00 C ATOM 163 CG TYR A 10 -8.241 -12.764 -9.927 1.00 0.00 C ATOM 164 CD1 TYR A 10 -7.992 -12.195 -11.167 1.00 0.00 C ATOM 165 CD2 TYR A 10 -8.473 -11.920 -8.852 1.00 0.00 C ATOM 166 CE1 TYR A 10 -7.971 -10.823 -11.332 1.00 0.00 C ATOM 167 CE2 TYR A 10 -8.454 -10.548 -9.005 1.00 0.00 C ATOM 168 CZ TYR A 10 -8.202 -10.003 -10.248 1.00 0.00 C ATOM 169 OH TYR A 10 -8.184 -8.636 -10.406 1.00 0.00 O ATOM 0 H TYR A 10 -5.544 -13.595 -8.589 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.979 -15.963 -9.410 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -8.742 -14.717 -10.622 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.878 -14.513 -8.886 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.811 -12.835 -12.018 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -8.672 -12.343 -7.878 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.775 -10.396 -12.304 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.635 -9.905 -8.157 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.537 -8.243 -9.783 1.00 0.00 H new ATOM 179 N GLN A 11 -6.323 -15.483 -11.862 1.00 0.00 N ATOM 180 CA GLN A 11 -5.649 -15.353 -13.154 1.00 0.00 C ATOM 181 C GLN A 11 -6.623 -14.837 -14.227 1.00 0.00 C ATOM 182 O GLN A 11 -7.289 -15.622 -14.907 1.00 0.00 O ATOM 183 CB GLN A 11 -5.057 -16.697 -13.586 1.00 0.00 C ATOM 184 CG GLN A 11 -4.388 -16.671 -14.950 1.00 0.00 C ATOM 185 CD GLN A 11 -3.295 -15.624 -15.039 1.00 0.00 C ATOM 186 OE1 GLN A 11 -2.449 -15.511 -14.147 1.00 0.00 O ATOM 187 NE2 GLN A 11 -3.308 -14.846 -16.116 1.00 0.00 N ATOM 0 H GLN A 11 -7.015 -16.231 -11.823 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.840 -14.631 -13.043 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.328 -17.017 -12.842 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.850 -17.445 -13.597 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.965 -17.653 -15.163 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.138 -16.475 -15.716 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.026 -14.974 -16.829 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.600 -14.121 -16.230 1.00 0.00 H new ATOM 196 N HIS A 12 -6.729 -13.516 -14.366 1.00 0.00 N ATOM 197 CA HIS A 12 -7.525 -12.924 -15.450 1.00 0.00 C ATOM 198 C HIS A 12 -6.683 -12.063 -16.409 1.00 0.00 C ATOM 199 O HIS A 12 -7.093 -11.819 -17.542 1.00 0.00 O ATOM 200 CB HIS A 12 -8.665 -12.081 -14.870 1.00 0.00 C ATOM 201 CG HIS A 12 -9.715 -12.889 -14.171 1.00 0.00 C ATOM 202 ND1 HIS A 12 -10.576 -12.343 -13.241 1.00 0.00 N ATOM 203 CD2 HIS A 12 -10.042 -14.199 -14.265 1.00 0.00 C ATOM 204 CE1 HIS A 12 -11.388 -13.285 -12.794 1.00 0.00 C ATOM 205 NE2 HIS A 12 -11.084 -14.419 -13.399 1.00 0.00 N ATOM 0 H HIS A 12 -6.280 -12.838 -13.750 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.930 -13.754 -16.029 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.250 -11.357 -14.169 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.132 -11.514 -15.675 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.571 -14.933 -14.902 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -12.168 -13.150 -12.059 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.549 -15.314 -13.247 1.00 0.00 H new ATOM 210 N LEU A 13 -5.511 -11.609 -15.974 1.00 0.00 N ATOM 211 CA LEU A 13 -4.660 -10.780 -16.836 1.00 0.00 C ATOM 212 C LEU A 13 -3.289 -11.442 -17.074 1.00 0.00 C ATOM 213 O LEU A 13 -2.828 -12.234 -16.254 1.00 0.00 O ATOM 214 CB LEU A 13 -4.482 -9.389 -16.216 1.00 0.00 C ATOM 215 CG LEU A 13 -5.781 -8.616 -15.959 1.00 0.00 C ATOM 216 CD1 LEU A 13 -5.481 -7.319 -15.220 1.00 0.00 C ATOM 217 CD2 LEU A 13 -6.476 -8.335 -17.283 1.00 0.00 C ATOM 0 H LEU A 13 -5.129 -11.794 -15.046 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.152 -10.679 -17.803 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.949 -9.496 -15.271 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.849 -8.794 -16.874 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.444 -9.217 -15.336 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.410 -6.778 -15.043 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.005 -7.546 -14.266 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.812 -6.704 -15.822 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.399 -7.786 -17.100 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.820 -7.741 -17.919 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.707 -9.277 -17.780 1.00 0.00 H new ATOM 229 N ARG A 14 -2.655 -11.139 -18.209 1.00 0.00 N ATOM 230 CA ARG A 14 -1.311 -11.655 -18.508 1.00 0.00 C ATOM 231 C ARG A 14 -0.194 -10.849 -17.819 1.00 0.00 C ATOM 232 O ARG A 14 0.986 -11.105 -18.069 1.00 0.00 O ATOM 233 CB ARG A 14 -1.070 -11.754 -20.007 1.00 0.00 C ATOM 234 CG ARG A 14 -1.930 -12.781 -20.726 1.00 0.00 C ATOM 235 CD ARG A 14 -1.703 -12.849 -22.193 1.00 0.00 C ATOM 236 NE ARG A 14 -2.582 -13.769 -22.896 1.00 0.00 N ATOM 237 CZ ARG A 14 -2.554 -13.990 -24.225 1.00 0.00 C ATOM 238 NH1 ARG A 14 -1.721 -13.335 -25.003 1.00 0.00 N ATOM 239 NH2 ARG A 14 -3.405 -14.867 -24.730 1.00 0.00 N ATOM 0 H ARG A 14 -3.047 -10.541 -18.936 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.273 -12.662 -18.092 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.247 -10.776 -20.454 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.021 -11.997 -20.177 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.739 -13.764 -20.295 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.980 -12.551 -20.543 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.830 -11.852 -22.614 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.669 -13.143 -22.375 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.268 -14.284 -22.344 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.083 -12.647 -24.603 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.713 -13.514 -26.007 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.059 -15.355 -24.117 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.408 -15.056 -25.732 1.00 0.00 H new ATOM 253 N ASP A 15 -0.544 -9.905 -16.948 1.00 0.00 N ATOM 254 CA ASP A 15 0.475 -9.095 -16.257 1.00 0.00 C ATOM 255 C ASP A 15 1.329 -9.926 -15.282 1.00 0.00 C ATOM 256 O ASP A 15 0.819 -10.463 -14.305 1.00 0.00 O ATOM 257 CB ASP A 15 -0.190 -7.939 -15.506 1.00 0.00 C ATOM 258 CG ASP A 15 0.786 -6.941 -14.897 1.00 0.00 C ATOM 259 OD1 ASP A 15 1.963 -7.210 -14.904 1.00 0.00 O ATOM 260 OD2 ASP A 15 0.367 -5.854 -14.574 1.00 0.00 O ATOM 0 H ASP A 15 -1.508 -9.679 -16.702 1.00 0.00 H new ATOM 0 HA ASP A 15 1.144 -8.704 -17.024 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.852 -7.410 -16.191 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.815 -8.349 -14.712 1.00 0.00 H new ATOM 265 N PRO A 16 2.663 -9.995 -15.507 1.00 0.00 N ATOM 266 CA PRO A 16 3.584 -10.730 -14.616 1.00 0.00 C ATOM 267 C PRO A 16 3.496 -10.257 -13.156 1.00 0.00 C ATOM 268 O PRO A 16 3.882 -10.977 -12.233 1.00 0.00 O ATOM 269 CB PRO A 16 4.967 -10.461 -15.217 1.00 0.00 C ATOM 270 CG PRO A 16 4.700 -10.192 -16.658 1.00 0.00 C ATOM 271 CD PRO A 16 3.392 -9.448 -16.690 1.00 0.00 C ATOM 0 HA PRO A 16 3.343 -11.792 -14.566 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.450 -9.610 -14.737 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.629 -11.317 -15.089 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.500 -9.599 -17.102 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.638 -11.120 -17.226 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.539 -8.371 -16.611 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.848 -9.628 -17.617 1.00 0.00 H new ATOM 279 N SER A 17 2.983 -9.041 -12.956 1.00 0.00 N ATOM 280 CA SER A 17 2.851 -8.451 -11.616 1.00 0.00 C ATOM 281 C SER A 17 2.024 -9.342 -10.675 1.00 0.00 C ATOM 282 O SER A 17 2.207 -9.307 -9.461 1.00 0.00 O ATOM 283 CB SER A 17 2.225 -7.073 -11.716 1.00 0.00 C ATOM 284 OG SER A 17 2.997 -6.200 -12.495 1.00 0.00 O ATOM 0 H SER A 17 2.649 -8.440 -13.709 1.00 0.00 H new ATOM 0 HA SER A 17 3.851 -8.367 -11.191 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.228 -7.158 -12.148 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.105 -6.656 -10.716 1.00 0.00 H new ATOM 0 HG SER A 17 2.824 -6.370 -13.445 1.00 0.00 H new ATOM 290 N GLU A 18 1.120 -10.144 -11.239 1.00 0.00 N ATOM 291 CA GLU A 18 0.318 -11.085 -10.447 1.00 0.00 C ATOM 292 C GLU A 18 1.236 -12.089 -9.709 1.00 0.00 C ATOM 293 O GLU A 18 0.965 -12.494 -8.572 1.00 0.00 O ATOM 294 CB GLU A 18 -0.676 -11.829 -11.341 1.00 0.00 C ATOM 295 CG GLU A 18 -1.779 -10.952 -11.919 1.00 0.00 C ATOM 296 CD GLU A 18 -2.652 -11.726 -12.867 1.00 0.00 C ATOM 297 OE1 GLU A 18 -2.359 -12.870 -13.115 1.00 0.00 O ATOM 298 OE2 GLU A 18 -3.674 -11.211 -13.256 1.00 0.00 O ATOM 0 H GLU A 18 0.923 -10.163 -12.240 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.244 -10.518 -9.705 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.130 -12.294 -12.162 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.133 -12.634 -10.765 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.387 -10.548 -11.110 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.336 -10.103 -12.440 1.00 0.00 H new ATOM 305 N TYR A 19 2.354 -12.444 -10.344 1.00 0.00 N ATOM 306 CA TYR A 19 3.276 -13.448 -9.796 1.00 0.00 C ATOM 307 C TYR A 19 4.421 -12.782 -9.021 1.00 0.00 C ATOM 308 O TYR A 19 5.000 -13.370 -8.112 1.00 0.00 O ATOM 309 CB TYR A 19 3.862 -14.305 -10.919 1.00 0.00 C ATOM 310 CG TYR A 19 2.824 -14.978 -11.796 1.00 0.00 C ATOM 311 CD1 TYR A 19 2.241 -16.183 -11.423 1.00 0.00 C ATOM 312 CD2 TYR A 19 2.446 -14.418 -13.010 1.00 0.00 C ATOM 313 CE1 TYR A 19 1.319 -16.811 -12.238 1.00 0.00 C ATOM 314 CE2 TYR A 19 1.520 -15.038 -13.824 1.00 0.00 C ATOM 315 CZ TYR A 19 0.960 -16.234 -13.436 1.00 0.00 C ATOM 316 OH TYR A 19 0.046 -16.858 -14.254 1.00 0.00 O ATOM 0 H TYR A 19 2.646 -12.052 -11.239 1.00 0.00 H new ATOM 0 HA TYR A 19 2.707 -14.079 -9.113 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.498 -13.678 -11.544 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.502 -15.071 -10.480 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.513 -16.636 -10.481 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.884 -13.482 -13.322 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.881 -17.751 -11.937 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.236 -14.586 -14.763 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.806 -16.375 -14.220 1.00 0.00 H new ATOM 326 N MET A 20 4.753 -11.551 -9.393 1.00 0.00 N ATOM 327 CA MET A 20 5.723 -10.754 -8.636 1.00 0.00 C ATOM 328 C MET A 20 5.090 -10.252 -7.326 1.00 0.00 C ATOM 329 O MET A 20 5.782 -9.946 -6.357 1.00 0.00 O ATOM 330 CB MET A 20 6.219 -9.579 -9.477 1.00 0.00 C ATOM 331 CG MET A 20 7.102 -9.974 -10.652 1.00 0.00 C ATOM 332 SD MET A 20 7.888 -8.555 -11.440 1.00 0.00 S ATOM 333 CE MET A 20 6.483 -7.789 -12.242 1.00 0.00 C ATOM 0 H MET A 20 4.368 -11.080 -10.212 1.00 0.00 H new ATOM 0 HA MET A 20 6.578 -11.384 -8.390 1.00 0.00 H new ATOM 0 HB2 MET A 20 5.357 -9.029 -9.855 1.00 0.00 H new ATOM 0 HB3 MET A 20 6.775 -8.897 -8.834 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.871 -10.665 -10.307 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.502 -10.507 -11.389 1.00 0.00 H new ATOM 0 HE1 MET A 20 6.834 -7.092 -13.003 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.867 -8.557 -12.710 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.891 -7.250 -11.502 1.00 0.00 H new ATOM 343 N SER A 21 3.759 -10.167 -7.321 1.00 0.00 N ATOM 344 CA SER A 21 2.994 -9.866 -6.105 1.00 0.00 C ATOM 345 C SER A 21 2.706 -11.148 -5.310 1.00 0.00 C ATOM 346 O SER A 21 2.525 -11.103 -4.096 1.00 0.00 O ATOM 347 CB SER A 21 1.700 -9.160 -6.461 1.00 0.00 C ATOM 348 OG SER A 21 0.811 -10.002 -7.143 1.00 0.00 O ATOM 0 H SER A 21 3.182 -10.303 -8.151 1.00 0.00 H new ATOM 0 HA SER A 21 3.592 -9.205 -5.477 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.225 -8.793 -5.551 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.920 -8.289 -7.079 1.00 0.00 H new ATOM 0 HG SER A 21 1.018 -9.990 -8.101 1.00 0.00 H new ATOM 354 N GLN A 22 2.645 -12.286 -6.013 1.00 0.00 N ATOM 355 CA GLN A 22 2.610 -13.608 -5.359 1.00 0.00 C ATOM 356 C GLN A 22 3.815 -13.793 -4.417 1.00 0.00 C ATOM 357 O GLN A 22 3.663 -14.157 -3.248 1.00 0.00 O ATOM 358 CB GLN A 22 2.596 -14.724 -6.406 1.00 0.00 C ATOM 359 CG GLN A 22 2.617 -16.127 -5.822 1.00 0.00 C ATOM 360 CD GLN A 22 2.790 -17.195 -6.885 1.00 0.00 C ATOM 361 OE1 GLN A 22 2.967 -16.890 -8.067 1.00 0.00 O ATOM 362 NE2 GLN A 22 2.737 -18.455 -6.469 1.00 0.00 N ATOM 0 H GLN A 22 2.619 -12.322 -7.032 1.00 0.00 H new ATOM 0 HA GLN A 22 1.696 -13.662 -4.767 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.706 -14.614 -7.026 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.458 -14.603 -7.062 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.429 -16.204 -5.098 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.688 -16.305 -5.280 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.589 -18.660 -5.481 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.845 -19.218 -7.138 1.00 0.00 H new ATOM 371 N VAL A 23 5.013 -13.548 -4.939 1.00 0.00 N ATOM 372 CA VAL A 23 6.237 -13.647 -4.141 1.00 0.00 C ATOM 373 C VAL A 23 7.320 -12.678 -4.649 1.00 0.00 C ATOM 374 O VAL A 23 7.564 -12.554 -5.848 1.00 0.00 O ATOM 375 CB VAL A 23 6.798 -15.081 -4.150 1.00 0.00 C ATOM 376 CG1 VAL A 23 7.219 -15.479 -5.558 1.00 0.00 C ATOM 377 CG2 VAL A 23 7.972 -15.201 -3.191 1.00 0.00 C ATOM 0 H VAL A 23 5.165 -13.279 -5.911 1.00 0.00 H new ATOM 0 HA VAL A 23 5.968 -13.376 -3.120 1.00 0.00 H new ATOM 0 HB VAL A 23 6.012 -15.760 -3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.613 -16.495 -5.546 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.356 -15.432 -6.223 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.989 -14.795 -5.914 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.355 -16.221 -3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.760 -14.511 -3.493 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.643 -14.957 -2.181 1.00 0.00 H new ATOM 387 N TYR A 24 7.972 -11.996 -3.710 1.00 0.00 N ATOM 388 CA TYR A 24 9.045 -11.044 -4.030 1.00 0.00 C ATOM 389 C TYR A 24 10.439 -11.697 -3.929 1.00 0.00 C ATOM 390 O TYR A 24 11.426 -11.024 -3.627 1.00 0.00 O ATOM 391 CB TYR A 24 8.967 -9.829 -3.102 1.00 0.00 C ATOM 392 CG TYR A 24 8.933 -10.183 -1.632 1.00 0.00 C ATOM 393 CD1 TYR A 24 10.106 -10.345 -0.910 1.00 0.00 C ATOM 394 CD2 TYR A 24 7.727 -10.350 -0.968 1.00 0.00 C ATOM 395 CE1 TYR A 24 10.081 -10.668 0.433 1.00 0.00 C ATOM 396 CE2 TYR A 24 7.688 -10.672 0.375 1.00 0.00 C ATOM 397 CZ TYR A 24 8.869 -10.830 1.072 1.00 0.00 C ATOM 398 OH TYR A 24 8.837 -11.151 2.410 1.00 0.00 O ATOM 0 H TYR A 24 7.777 -12.083 -2.713 1.00 0.00 H new ATOM 0 HA TYR A 24 8.903 -10.722 -5.062 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.825 -9.184 -3.291 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.075 -9.253 -3.348 1.00 0.00 H new ATOM 0 HD1 TYR A 24 11.056 -10.216 -1.407 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.801 -10.226 -1.511 1.00 0.00 H new ATOM 0 HE1 TYR A 24 11.004 -10.793 0.979 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.740 -10.799 0.876 1.00 0.00 H new ATOM 0 HH TYR A 24 9.186 -12.058 2.537 1.00 0.00 H new ATOM 408 N GLY A 25 10.518 -13.001 -4.194 1.00 0.00 N ATOM 409 CA GLY A 25 11.763 -13.740 -3.983 1.00 0.00 C ATOM 410 C GLY A 25 12.570 -14.019 -5.252 1.00 0.00 C ATOM 411 O GLY A 25 12.706 -13.155 -6.120 1.00 0.00 O ATOM 0 H GLY A 25 9.745 -13.562 -4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.388 -13.179 -3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.528 -14.690 -3.504 1.00 0.00 H new ATOM 415 N ASP A 26 13.113 -15.236 -5.342 1.00 0.00 N ATOM 416 CA ASP A 26 14.006 -15.636 -6.436 1.00 0.00 C ATOM 417 C ASP A 26 13.308 -15.648 -7.815 1.00 0.00 C ATOM 418 O ASP A 26 12.128 -15.989 -7.926 1.00 0.00 O ATOM 419 CB ASP A 26 14.600 -17.015 -6.144 1.00 0.00 C ATOM 420 CG ASP A 26 15.726 -17.012 -5.119 1.00 0.00 C ATOM 421 OD1 ASP A 26 16.331 -15.983 -4.934 1.00 0.00 O ATOM 422 OD2 ASP A 26 15.867 -17.985 -4.419 1.00 0.00 O ATOM 0 H ASP A 26 12.946 -15.974 -4.658 1.00 0.00 H new ATOM 0 HA ASP A 26 14.796 -14.887 -6.488 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.805 -17.672 -5.790 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.974 -17.440 -7.075 1.00 0.00 H new ATOM 427 N PRO A 27 14.052 -15.275 -8.884 1.00 0.00 N ATOM 428 CA PRO A 27 13.514 -15.172 -10.258 1.00 0.00 C ATOM 429 C PRO A 27 12.740 -16.414 -10.728 1.00 0.00 C ATOM 430 O PRO A 27 11.670 -16.292 -11.325 1.00 0.00 O ATOM 431 CB PRO A 27 14.764 -14.935 -11.112 1.00 0.00 C ATOM 432 CG PRO A 27 15.694 -14.194 -10.214 1.00 0.00 C ATOM 433 CD PRO A 27 15.482 -14.785 -8.846 1.00 0.00 C ATOM 0 HA PRO A 27 12.771 -14.378 -10.330 1.00 0.00 H new ATOM 0 HB2 PRO A 27 15.201 -15.876 -11.446 1.00 0.00 H new ATOM 0 HB3 PRO A 27 14.530 -14.357 -12.006 1.00 0.00 H new ATOM 0 HG2 PRO A 27 16.729 -14.311 -10.537 1.00 0.00 H new ATOM 0 HG3 PRO A 27 15.477 -13.126 -10.219 1.00 0.00 H new ATOM 0 HD2 PRO A 27 16.179 -15.600 -8.649 1.00 0.00 H new ATOM 0 HD3 PRO A 27 15.630 -14.043 -8.062 1.00 0.00 H new ATOM 441 N LEU A 28 13.288 -17.599 -10.447 1.00 0.00 N ATOM 442 CA LEU A 28 12.725 -18.870 -10.935 1.00 0.00 C ATOM 443 C LEU A 28 11.330 -19.138 -10.339 1.00 0.00 C ATOM 444 O LEU A 28 10.504 -19.812 -10.956 1.00 0.00 O ATOM 445 CB LEU A 28 13.674 -20.029 -10.606 1.00 0.00 C ATOM 446 CG LEU A 28 14.992 -20.036 -11.392 1.00 0.00 C ATOM 447 CD1 LEU A 28 15.902 -21.142 -10.875 1.00 0.00 C ATOM 448 CD2 LEU A 28 14.700 -20.226 -12.873 1.00 0.00 C ATOM 0 H LEU A 28 14.128 -17.709 -9.879 1.00 0.00 H new ATOM 0 HA LEU A 28 12.614 -18.792 -12.017 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.904 -19.998 -9.541 1.00 0.00 H new ATOM 0 HB3 LEU A 28 13.153 -20.968 -10.792 1.00 0.00 H new ATOM 0 HG LEU A 28 15.502 -19.083 -11.255 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.835 -21.139 -11.439 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.116 -20.974 -9.819 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.408 -22.106 -10.996 1.00 0.00 H new ATOM 0 HD21 LEU A 28 15.636 -20.231 -13.431 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.183 -21.174 -13.023 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.071 -19.410 -13.227 1.00 0.00 H new ATOM 460 N ALA A 29 11.075 -18.585 -9.156 1.00 0.00 N ATOM 461 CA ALA A 29 9.797 -18.771 -8.464 1.00 0.00 C ATOM 462 C ALA A 29 8.603 -18.245 -9.290 1.00 0.00 C ATOM 463 O ALA A 29 7.790 -19.027 -9.786 1.00 0.00 O ATOM 464 CB ALA A 29 9.844 -18.097 -7.099 1.00 0.00 C ATOM 0 H ALA A 29 11.741 -18.000 -8.651 1.00 0.00 H new ATOM 0 HA ALA A 29 9.644 -19.842 -8.333 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.891 -18.239 -6.590 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.643 -18.538 -6.503 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.032 -17.031 -7.226 1.00 0.00 H new ATOM 470 N TYR A 30 8.518 -16.924 -9.457 1.00 0.00 N ATOM 471 CA TYR A 30 7.417 -16.320 -10.221 1.00 0.00 C ATOM 472 C TYR A 30 7.592 -16.504 -11.739 1.00 0.00 C ATOM 473 O TYR A 30 6.630 -16.401 -12.494 1.00 0.00 O ATOM 474 CB TYR A 30 7.299 -14.831 -9.888 1.00 0.00 C ATOM 475 CG TYR A 30 8.562 -14.042 -10.151 1.00 0.00 C ATOM 476 CD1 TYR A 30 8.837 -13.536 -11.413 1.00 0.00 C ATOM 477 CD2 TYR A 30 9.477 -13.804 -9.136 1.00 0.00 C ATOM 478 CE1 TYR A 30 9.990 -12.815 -11.660 1.00 0.00 C ATOM 479 CE2 TYR A 30 10.632 -13.084 -9.370 1.00 0.00 C ATOM 480 CZ TYR A 30 10.885 -12.591 -10.633 1.00 0.00 C ATOM 481 OH TYR A 30 12.034 -11.873 -10.872 1.00 0.00 O ATOM 0 H TYR A 30 9.189 -16.255 -9.079 1.00 0.00 H new ATOM 0 HA TYR A 30 6.502 -16.836 -9.931 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.486 -14.401 -10.473 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.028 -14.724 -8.838 1.00 0.00 H new ATOM 0 HD1 TYR A 30 8.137 -13.709 -12.217 1.00 0.00 H new ATOM 0 HD2 TYR A 30 9.283 -14.188 -8.146 1.00 0.00 H new ATOM 0 HE1 TYR A 30 10.189 -12.430 -12.649 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.334 -12.908 -8.568 1.00 0.00 H new ATOM 0 HH TYR A 30 12.555 -11.805 -10.045 1.00 0.00 H new ATOM 491 N LEU A 31 8.821 -16.776 -12.182 1.00 0.00 N ATOM 492 CA LEU A 31 9.079 -17.083 -13.597 1.00 0.00 C ATOM 493 C LEU A 31 8.408 -18.402 -14.010 1.00 0.00 C ATOM 494 O LEU A 31 7.645 -18.453 -14.984 1.00 0.00 O ATOM 495 CB LEU A 31 10.590 -17.147 -13.858 1.00 0.00 C ATOM 496 CG LEU A 31 10.990 -17.511 -15.293 1.00 0.00 C ATOM 497 CD1 LEU A 31 10.471 -16.459 -16.263 1.00 0.00 C ATOM 498 CD2 LEU A 31 12.504 -17.630 -15.384 1.00 0.00 C ATOM 0 H LEU A 31 9.651 -16.791 -11.589 1.00 0.00 H new ATOM 0 HA LEU A 31 8.649 -16.284 -14.201 1.00 0.00 H new ATOM 0 HB2 LEU A 31 11.027 -16.179 -13.611 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.029 -17.878 -13.179 1.00 0.00 H new ATOM 0 HG LEU A 31 10.547 -18.470 -15.562 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.760 -16.727 -17.279 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.384 -16.408 -16.197 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.896 -15.488 -16.009 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.788 -17.889 -16.404 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.961 -16.679 -15.110 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.849 -18.408 -14.703 1.00 0.00 H new ATOM 510 N GLN A 32 8.677 -19.468 -13.256 1.00 0.00 N ATOM 511 CA GLN A 32 8.105 -20.781 -13.556 1.00 0.00 C ATOM 512 C GLN A 32 6.586 -20.783 -13.345 1.00 0.00 C ATOM 513 O GLN A 32 5.858 -21.441 -14.084 1.00 0.00 O ATOM 514 CB GLN A 32 8.751 -21.859 -12.680 1.00 0.00 C ATOM 515 CG GLN A 32 10.221 -22.103 -12.977 1.00 0.00 C ATOM 516 CD GLN A 32 10.463 -22.496 -14.421 1.00 0.00 C ATOM 517 OE1 GLN A 32 9.712 -23.288 -14.997 1.00 0.00 O ATOM 518 NE2 GLN A 32 11.516 -21.947 -15.015 1.00 0.00 N ATOM 0 H GLN A 32 9.284 -19.449 -12.437 1.00 0.00 H new ATOM 0 HA GLN A 32 8.309 -21.001 -14.604 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.646 -21.572 -11.634 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.205 -22.793 -12.811 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.789 -21.201 -12.749 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.595 -22.890 -12.322 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.110 -21.297 -14.501 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.731 -22.175 -15.986 1.00 0.00 H new ATOM 527 N GLU A 33 6.108 -20.033 -12.351 1.00 0.00 N ATOM 528 CA GLU A 33 4.663 -19.879 -12.133 1.00 0.00 C ATOM 529 C GLU A 33 4.009 -19.096 -13.292 1.00 0.00 C ATOM 530 O GLU A 33 2.897 -19.409 -13.715 1.00 0.00 O ATOM 531 CB GLU A 33 4.397 -19.174 -10.801 1.00 0.00 C ATOM 532 CG GLU A 33 2.996 -19.389 -10.245 1.00 0.00 C ATOM 533 CD GLU A 33 2.893 -20.702 -9.519 1.00 0.00 C ATOM 534 OE1 GLU A 33 3.016 -21.721 -10.154 1.00 0.00 O ATOM 535 OE2 GLU A 33 2.803 -20.685 -8.313 1.00 0.00 O ATOM 0 H GLU A 33 6.692 -19.525 -11.687 1.00 0.00 H new ATOM 0 HA GLU A 33 4.218 -20.874 -12.100 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.124 -19.523 -10.067 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.563 -18.105 -10.930 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.743 -18.575 -9.566 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.271 -19.363 -11.059 1.00 0.00 H new ATOM 542 N THR A 34 4.720 -18.097 -13.823 1.00 0.00 N ATOM 543 CA THR A 34 4.225 -17.312 -14.971 1.00 0.00 C ATOM 544 C THR A 34 4.098 -18.181 -16.232 1.00 0.00 C ATOM 545 O THR A 34 3.127 -18.072 -16.985 1.00 0.00 O ATOM 546 CB THR A 34 5.146 -16.117 -15.279 1.00 0.00 C ATOM 547 OG1 THR A 34 5.164 -15.223 -14.159 1.00 0.00 O ATOM 548 CG2 THR A 34 4.658 -15.371 -16.512 1.00 0.00 C ATOM 0 H THR A 34 5.637 -17.809 -13.482 1.00 0.00 H new ATOM 0 HA THR A 34 3.240 -16.940 -14.690 1.00 0.00 H new ATOM 0 HB THR A 34 6.152 -16.492 -15.469 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.369 -15.725 -13.343 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.321 -14.530 -16.714 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.656 -16.046 -17.368 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.647 -15.002 -16.338 1.00 0.00 H new ATOM 556 N THR A 35 5.092 -19.032 -16.461 1.00 0.00 N ATOM 557 CA THR A 35 5.165 -19.839 -17.692 1.00 0.00 C ATOM 558 C THR A 35 4.387 -21.168 -17.573 1.00 0.00 C ATOM 559 O THR A 35 3.930 -21.724 -18.579 1.00 0.00 O ATOM 560 CB THR A 35 6.626 -20.151 -18.066 1.00 0.00 C ATOM 561 OG1 THR A 35 7.246 -20.892 -17.006 1.00 0.00 O ATOM 562 CG2 THR A 35 7.404 -18.865 -18.301 1.00 0.00 C ATOM 0 H THR A 35 5.865 -19.187 -15.813 1.00 0.00 H new ATOM 0 HA THR A 35 4.703 -19.237 -18.474 1.00 0.00 H new ATOM 0 HB THR A 35 6.632 -20.740 -18.983 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.175 -21.091 -17.246 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.434 -19.106 -18.564 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.943 -18.304 -19.114 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.393 -18.262 -17.393 1.00 0.00 H new ATOM 570 N LYS A 36 4.214 -21.667 -16.350 1.00 0.00 N ATOM 571 CA LYS A 36 3.515 -22.942 -16.125 1.00 0.00 C ATOM 572 C LYS A 36 2.260 -22.794 -15.233 1.00 0.00 C ATOM 573 O LYS A 36 1.210 -23.372 -15.535 1.00 0.00 O ATOM 574 CB LYS A 36 4.474 -23.959 -15.504 1.00 0.00 C ATOM 575 CG LYS A 36 5.718 -24.239 -16.336 1.00 0.00 C ATOM 576 CD LYS A 36 5.372 -24.987 -17.615 1.00 0.00 C ATOM 577 CE LYS A 36 6.619 -25.297 -18.431 1.00 0.00 C ATOM 578 NZ LYS A 36 6.289 -25.958 -19.722 1.00 0.00 N ATOM 0 H LYS A 36 4.545 -21.213 -15.499 1.00 0.00 H new ATOM 0 HA LYS A 36 3.174 -23.291 -17.099 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.782 -23.598 -14.523 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.939 -24.895 -15.346 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.211 -23.299 -16.584 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.426 -24.825 -15.750 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.857 -25.915 -17.368 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.683 -24.390 -18.213 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.164 -24.373 -18.625 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.280 -25.942 -17.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.166 -26.152 -20.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.791 -26.852 -19.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.679 -25.333 -20.286 1.00 0.00 H new ATOM 592 N PHE A 37 2.389 -22.043 -14.131 1.00 0.00 N ATOM 593 CA PHE A 37 1.305 -21.859 -13.135 1.00 0.00 C ATOM 594 C PHE A 37 1.168 -23.098 -12.215 1.00 0.00 C ATOM 595 O PHE A 37 0.380 -23.108 -11.261 1.00 0.00 O ATOM 596 CB PHE A 37 -0.035 -21.531 -13.837 1.00 0.00 C ATOM 597 CG PHE A 37 -1.125 -21.035 -12.912 1.00 0.00 C ATOM 598 CD1 PHE A 37 -1.206 -19.691 -12.576 1.00 0.00 C ATOM 599 CD2 PHE A 37 -2.070 -21.907 -12.386 1.00 0.00 C ATOM 600 CE1 PHE A 37 -2.201 -19.227 -11.736 1.00 0.00 C ATOM 601 CE2 PHE A 37 -3.066 -21.448 -11.545 1.00 0.00 C ATOM 602 CZ PHE A 37 -3.132 -20.108 -11.220 1.00 0.00 C ATOM 0 H PHE A 37 3.246 -21.542 -13.897 1.00 0.00 H new ATOM 0 HA PHE A 37 1.571 -21.012 -12.503 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.146 -20.776 -14.602 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.390 -22.425 -14.349 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.481 -18.998 -12.977 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.026 -22.956 -12.637 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.251 -18.178 -11.484 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.793 -22.138 -11.142 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.910 -19.749 -10.563 1.00 0.00 H new ATOM 612 N VAL A 38 1.972 -24.126 -12.489 1.00 0.00 N ATOM 613 CA VAL A 38 1.851 -25.438 -11.833 1.00 0.00 C ATOM 614 C VAL A 38 3.237 -26.014 -11.479 1.00 0.00 C ATOM 615 O VAL A 38 4.267 -25.432 -11.817 1.00 0.00 O ATOM 616 CB VAL A 38 1.096 -26.444 -12.721 1.00 0.00 C ATOM 617 CG1 VAL A 38 -0.324 -25.963 -12.983 1.00 0.00 C ATOM 618 CG2 VAL A 38 1.836 -26.657 -14.033 1.00 0.00 C ATOM 0 H VAL A 38 2.728 -24.077 -13.172 1.00 0.00 H new ATOM 0 HA VAL A 38 1.283 -25.281 -10.916 1.00 0.00 H new ATOM 0 HB VAL A 38 1.046 -27.397 -12.195 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.843 -26.686 -13.612 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.854 -25.860 -12.036 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.294 -24.998 -13.489 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.288 -27.371 -14.648 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.917 -25.708 -14.563 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.834 -27.045 -13.829 1.00 0.00 H new ATOM 628 N THR A 39 3.260 -27.166 -10.811 1.00 0.00 N ATOM 629 CA THR A 39 4.532 -27.822 -10.465 1.00 0.00 C ATOM 630 C THR A 39 5.455 -28.016 -11.688 1.00 0.00 C ATOM 631 O THR A 39 5.066 -28.582 -12.710 1.00 0.00 O ATOM 632 CB THR A 39 4.286 -29.193 -9.808 1.00 0.00 C ATOM 633 OG1 THR A 39 3.460 -29.028 -8.648 1.00 0.00 O ATOM 634 CG2 THR A 39 5.602 -29.835 -9.402 1.00 0.00 C ATOM 0 H THR A 39 2.426 -27.664 -10.499 1.00 0.00 H new ATOM 0 HA THR A 39 5.031 -27.154 -9.762 1.00 0.00 H new ATOM 0 HB THR A 39 3.787 -29.840 -10.529 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.573 -28.714 -8.920 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.407 -30.803 -8.940 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.227 -29.973 -10.284 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.117 -29.190 -8.690 1.00 0.00 H new ATOM 642 N GLU A 40 6.682 -27.508 -11.576 1.00 0.00 N ATOM 643 CA GLU A 40 7.696 -27.643 -12.635 1.00 0.00 C ATOM 644 C GLU A 40 9.077 -27.986 -12.043 1.00 0.00 C ATOM 645 O GLU A 40 9.418 -27.534 -10.952 1.00 0.00 O ATOM 646 CB GLU A 40 7.782 -26.358 -13.462 1.00 0.00 C ATOM 647 CG GLU A 40 8.727 -26.438 -14.652 1.00 0.00 C ATOM 648 CD GLU A 40 8.449 -27.654 -15.491 1.00 0.00 C ATOM 649 OE1 GLU A 40 7.416 -27.699 -16.115 1.00 0.00 O ATOM 650 OE2 GLU A 40 9.317 -28.489 -15.597 1.00 0.00 O ATOM 0 H GLU A 40 7.005 -26.994 -10.757 1.00 0.00 H new ATOM 0 HA GLU A 40 7.391 -28.462 -13.286 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.785 -26.105 -13.822 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.103 -25.543 -12.813 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.623 -25.541 -15.262 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.758 -26.465 -14.299 1.00 0.00 H new ATOM 657 N ARG A 41 9.877 -28.775 -12.766 1.00 0.00 N ATOM 658 CA ARG A 41 11.156 -29.259 -12.231 1.00 0.00 C ATOM 659 C ARG A 41 11.954 -28.112 -11.595 1.00 0.00 C ATOM 660 O ARG A 41 12.263 -28.143 -10.409 1.00 0.00 O ATOM 661 CB ARG A 41 11.977 -29.997 -13.280 1.00 0.00 C ATOM 662 CG ARG A 41 13.306 -30.545 -12.783 1.00 0.00 C ATOM 663 CD ARG A 41 14.095 -31.266 -13.814 1.00 0.00 C ATOM 664 NE ARG A 41 15.365 -31.794 -13.341 1.00 0.00 N ATOM 665 CZ ARG A 41 16.277 -32.403 -14.122 1.00 0.00 C ATOM 666 NH1 ARG A 41 16.052 -32.599 -15.402 1.00 0.00 N ATOM 667 NH2 ARG A 41 17.398 -32.823 -13.561 1.00 0.00 N ATOM 0 H ARG A 41 9.666 -29.090 -13.713 1.00 0.00 H new ATOM 0 HA ARG A 41 10.926 -29.983 -11.450 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.383 -30.823 -13.670 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.168 -29.320 -14.113 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.904 -29.720 -12.396 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.118 -31.220 -11.949 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.496 -32.089 -14.202 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.285 -30.589 -14.647 1.00 0.00 H new ATOM 0 HE ARG A 41 15.580 -31.696 -12.349 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.175 -32.288 -15.819 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.755 -33.062 -15.978 1.00 0.00 H new ATOM 0 HH21 ARG A 41 17.553 -32.682 -12.563 1.00 0.00 H new ATOM 0 HH22 ARG A 41 18.108 -33.288 -14.126 1.00 0.00 H new ATOM 681 N GLU A 42 12.248 -27.083 -12.385 1.00 0.00 N ATOM 682 CA GLU A 42 13.076 -25.959 -11.923 1.00 0.00 C ATOM 683 C GLU A 42 12.374 -25.180 -10.790 1.00 0.00 C ATOM 684 O GLU A 42 13.021 -24.564 -9.945 1.00 0.00 O ATOM 685 CB GLU A 42 13.399 -25.021 -13.089 1.00 0.00 C ATOM 686 CG GLU A 42 14.369 -25.598 -14.109 1.00 0.00 C ATOM 687 CD GLU A 42 14.579 -24.653 -15.259 1.00 0.00 C ATOM 688 OE1 GLU A 42 13.948 -23.625 -15.281 1.00 0.00 O ATOM 689 OE2 GLU A 42 15.452 -24.904 -16.057 1.00 0.00 O ATOM 0 H GLU A 42 11.928 -26.999 -13.350 1.00 0.00 H new ATOM 0 HA GLU A 42 14.007 -26.366 -11.528 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.471 -24.759 -13.596 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.817 -24.096 -12.691 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.325 -25.806 -13.628 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.986 -26.548 -14.482 1.00 0.00 H new ATOM 696 N TYR A 43 11.044 -25.233 -10.788 1.00 0.00 N ATOM 697 CA TYR A 43 10.215 -24.566 -9.774 1.00 0.00 C ATOM 698 C TYR A 43 10.410 -25.181 -8.375 1.00 0.00 C ATOM 699 O TYR A 43 10.275 -24.490 -7.367 1.00 0.00 O ATOM 700 CB TYR A 43 8.738 -24.633 -10.172 1.00 0.00 C ATOM 701 CG TYR A 43 7.849 -23.696 -9.385 1.00 0.00 C ATOM 702 CD1 TYR A 43 8.378 -22.594 -8.728 1.00 0.00 C ATOM 703 CD2 TYR A 43 6.482 -23.915 -9.303 1.00 0.00 C ATOM 704 CE1 TYR A 43 7.570 -21.736 -8.008 1.00 0.00 C ATOM 705 CE2 TYR A 43 5.664 -23.063 -8.585 1.00 0.00 C ATOM 706 CZ TYR A 43 6.212 -21.974 -7.939 1.00 0.00 C ATOM 707 OH TYR A 43 5.402 -21.121 -7.225 1.00 0.00 O ATOM 0 H TYR A 43 10.505 -25.740 -11.490 1.00 0.00 H new ATOM 0 HA TYR A 43 10.533 -23.525 -9.726 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.647 -24.400 -11.233 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.382 -25.654 -10.038 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.440 -22.404 -8.781 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.049 -24.766 -9.809 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.998 -20.884 -7.502 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.602 -23.249 -8.530 1.00 0.00 H new ATOM 0 HH TYR A 43 4.496 -21.142 -7.598 1.00 0.00 H new ATOM 717 N TYR A 44 10.727 -26.481 -8.311 1.00 0.00 N ATOM 718 CA TYR A 44 10.980 -27.143 -7.014 1.00 0.00 C ATOM 719 C TYR A 44 12.358 -27.834 -6.934 1.00 0.00 C ATOM 720 O TYR A 44 12.692 -28.418 -5.906 1.00 0.00 O ATOM 721 CB TYR A 44 9.879 -28.165 -6.728 1.00 0.00 C ATOM 722 CG TYR A 44 9.917 -29.376 -7.635 1.00 0.00 C ATOM 723 CD1 TYR A 44 10.794 -30.422 -7.389 1.00 0.00 C ATOM 724 CD2 TYR A 44 9.073 -29.470 -8.732 1.00 0.00 C ATOM 725 CE1 TYR A 44 10.832 -31.530 -8.214 1.00 0.00 C ATOM 726 CE2 TYR A 44 9.103 -30.573 -9.562 1.00 0.00 C ATOM 727 CZ TYR A 44 9.984 -31.602 -9.301 1.00 0.00 C ATOM 728 OH TYR A 44 10.017 -32.703 -10.124 1.00 0.00 O ATOM 0 H TYR A 44 10.815 -27.091 -9.124 1.00 0.00 H new ATOM 0 HA TYR A 44 10.978 -26.355 -6.261 1.00 0.00 H new ATOM 0 HB2 TYR A 44 9.963 -28.496 -5.693 1.00 0.00 H new ATOM 0 HB3 TYR A 44 8.909 -27.678 -6.829 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.458 -30.370 -6.539 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.381 -28.667 -8.940 1.00 0.00 H new ATOM 0 HE1 TYR A 44 11.522 -32.336 -8.009 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.439 -30.630 -10.412 1.00 0.00 H new ATOM 0 HH TYR A 44 9.357 -32.596 -10.840 1.00 0.00 H new ATOM 738 N GLU A 45 13.152 -27.769 -8.005 1.00 0.00 N ATOM 739 CA GLU A 45 14.460 -28.453 -8.051 1.00 0.00 C ATOM 740 C GLU A 45 15.404 -27.999 -6.917 1.00 0.00 C ATOM 741 O GLU A 45 15.979 -28.825 -6.206 1.00 0.00 O ATOM 742 CB GLU A 45 15.130 -28.218 -9.407 1.00 0.00 C ATOM 743 CG GLU A 45 16.486 -28.891 -9.564 1.00 0.00 C ATOM 744 CD GLU A 45 17.035 -28.697 -10.949 1.00 0.00 C ATOM 745 OE1 GLU A 45 16.372 -28.083 -11.751 1.00 0.00 O ATOM 746 OE2 GLU A 45 18.164 -29.063 -11.176 1.00 0.00 O ATOM 0 H GLU A 45 12.919 -27.253 -8.853 1.00 0.00 H new ATOM 0 HA GLU A 45 14.269 -29.517 -7.911 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.466 -28.578 -10.193 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.251 -27.145 -9.558 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.184 -28.482 -8.833 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.392 -29.956 -9.354 1.00 0.00 H new ATOM 753 N ASP A 46 15.570 -26.690 -6.759 1.00 0.00 N ATOM 754 CA ASP A 46 16.391 -26.149 -5.668 1.00 0.00 C ATOM 755 C ASP A 46 15.529 -25.552 -4.543 1.00 0.00 C ATOM 756 O ASP A 46 16.026 -25.262 -3.448 1.00 0.00 O ATOM 757 CB ASP A 46 17.356 -25.089 -6.204 1.00 0.00 C ATOM 758 CG ASP A 46 18.372 -25.615 -7.210 1.00 0.00 C ATOM 759 OD1 ASP A 46 18.996 -26.611 -6.929 1.00 0.00 O ATOM 760 OD2 ASP A 46 18.405 -25.113 -8.307 1.00 0.00 O ATOM 0 H ASP A 46 15.152 -25.984 -7.365 1.00 0.00 H new ATOM 0 HA ASP A 46 16.960 -26.978 -5.247 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.778 -24.292 -6.672 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.891 -24.644 -5.365 1.00 0.00 H new ATOM 765 N PHE A 47 14.239 -25.381 -4.811 1.00 0.00 N ATOM 766 CA PHE A 47 13.330 -24.721 -3.870 1.00 0.00 C ATOM 767 C PHE A 47 12.880 -25.662 -2.737 1.00 0.00 C ATOM 768 O PHE A 47 12.954 -26.887 -2.856 1.00 0.00 O ATOM 769 CB PHE A 47 12.110 -24.177 -4.614 1.00 0.00 C ATOM 770 CG PHE A 47 12.401 -22.965 -5.453 1.00 0.00 C ATOM 771 CD1 PHE A 47 12.940 -23.097 -6.724 1.00 0.00 C ATOM 772 CD2 PHE A 47 12.138 -21.691 -4.972 1.00 0.00 C ATOM 773 CE1 PHE A 47 13.208 -21.982 -7.496 1.00 0.00 C ATOM 774 CE2 PHE A 47 12.404 -20.576 -5.741 1.00 0.00 C ATOM 775 CZ PHE A 47 12.940 -20.722 -7.005 1.00 0.00 C ATOM 0 H PHE A 47 13.794 -25.691 -5.675 1.00 0.00 H new ATOM 0 HA PHE A 47 13.878 -23.898 -3.412 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.707 -24.962 -5.254 1.00 0.00 H new ATOM 0 HB3 PHE A 47 11.335 -23.928 -3.889 1.00 0.00 H new ATOM 0 HD1 PHE A 47 13.153 -24.081 -7.115 1.00 0.00 H new ATOM 0 HD2 PHE A 47 11.720 -21.570 -3.984 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.628 -22.098 -8.484 1.00 0.00 H new ATOM 0 HE2 PHE A 47 12.193 -19.590 -5.354 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.149 -19.851 -7.608 1.00 0.00 H new ATOM 785 N GLY A 48 12.406 -25.080 -1.638 1.00 0.00 N ATOM 786 CA GLY A 48 11.902 -25.881 -0.525 1.00 0.00 C ATOM 787 C GLY A 48 11.967 -25.163 0.820 1.00 0.00 C ATOM 788 O GLY A 48 11.125 -25.382 1.692 1.00 0.00 O ATOM 0 H GLY A 48 12.360 -24.071 -1.495 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.869 -26.162 -0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.477 -26.805 -0.463 1.00 0.00 H new ATOM 792 N TYR A 49 12.962 -24.299 0.991 1.00 0.00 N ATOM 793 CA TYR A 49 13.171 -23.603 2.271 1.00 0.00 C ATOM 794 C TYR A 49 13.335 -22.089 2.077 1.00 0.00 C ATOM 795 O TYR A 49 13.982 -21.641 1.136 1.00 0.00 O ATOM 796 CB TYR A 49 14.397 -24.171 2.991 1.00 0.00 C ATOM 797 CG TYR A 49 14.275 -25.636 3.347 1.00 0.00 C ATOM 798 CD1 TYR A 49 14.672 -26.622 2.456 1.00 0.00 C ATOM 799 CD2 TYR A 49 13.765 -26.028 4.576 1.00 0.00 C ATOM 800 CE1 TYR A 49 14.562 -27.962 2.776 1.00 0.00 C ATOM 801 CE2 TYR A 49 13.651 -27.365 4.907 1.00 0.00 C ATOM 802 CZ TYR A 49 14.051 -28.328 4.004 1.00 0.00 C ATOM 803 OH TYR A 49 13.941 -29.661 4.329 1.00 0.00 O ATOM 0 H TYR A 49 13.638 -24.059 0.266 1.00 0.00 H new ATOM 0 HA TYR A 49 12.283 -23.768 2.881 1.00 0.00 H new ATOM 0 HB2 TYR A 49 15.274 -24.033 2.359 1.00 0.00 H new ATOM 0 HB3 TYR A 49 14.568 -23.599 3.903 1.00 0.00 H new ATOM 0 HD1 TYR A 49 15.074 -26.338 1.495 1.00 0.00 H new ATOM 0 HD2 TYR A 49 13.452 -25.276 5.286 1.00 0.00 H new ATOM 0 HE1 TYR A 49 14.874 -28.717 2.070 1.00 0.00 H new ATOM 0 HE2 TYR A 49 13.251 -27.654 5.868 1.00 0.00 H new ATOM 0 HH TYR A 49 13.564 -29.748 5.229 1.00 0.00 H new ATOM 813 N GLY A 50 12.748 -21.312 2.987 1.00 0.00 N ATOM 814 CA GLY A 50 12.842 -19.855 2.921 1.00 0.00 C ATOM 815 C GLY A 50 11.474 -19.187 3.001 1.00 0.00 C ATOM 816 O GLY A 50 10.463 -19.877 3.113 1.00 0.00 O ATOM 0 H GLY A 50 12.205 -21.665 3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.469 -19.495 3.737 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.332 -19.566 1.991 1.00 0.00 H new ATOM 820 N GLU A 51 11.443 -17.853 2.934 1.00 0.00 N ATOM 821 CA GLU A 51 10.179 -17.089 2.983 1.00 0.00 C ATOM 822 C GLU A 51 9.075 -17.770 2.163 1.00 0.00 C ATOM 823 O GLU A 51 8.028 -18.131 2.688 1.00 0.00 O ATOM 824 CB GLU A 51 10.396 -15.661 2.478 1.00 0.00 C ATOM 825 CG GLU A 51 10.937 -14.700 3.527 1.00 0.00 C ATOM 826 CD GLU A 51 9.844 -14.212 4.436 1.00 0.00 C ATOM 827 OE1 GLU A 51 9.550 -14.884 5.396 1.00 0.00 O ATOM 828 OE2 GLU A 51 9.378 -13.115 4.237 1.00 0.00 O ATOM 0 H GLU A 51 12.277 -17.273 2.845 1.00 0.00 H new ATOM 0 HA GLU A 51 9.857 -17.057 4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.087 -15.687 1.636 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.449 -15.274 2.101 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.708 -15.197 4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.410 -13.850 3.035 1.00 0.00 H new ATOM 835 N CYS A 52 9.323 -17.930 0.871 1.00 0.00 N ATOM 836 CA CYS A 52 8.487 -18.771 0.014 1.00 0.00 C ATOM 837 C CYS A 52 9.372 -19.738 -0.784 1.00 0.00 C ATOM 838 O CYS A 52 9.394 -19.707 -2.014 1.00 0.00 O ATOM 839 CB CYS A 52 7.811 -17.759 -0.912 1.00 0.00 C ATOM 840 SG CYS A 52 6.792 -16.530 -0.061 1.00 0.00 S ATOM 0 H CYS A 52 10.103 -17.486 0.386 1.00 0.00 H new ATOM 0 HA CYS A 52 7.772 -19.385 0.561 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.579 -17.241 -1.486 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.188 -18.298 -1.626 1.00 0.00 H new ATOM 0 HG CYS A 52 7.556 -15.610 0.448 1.00 0.00 H new ATOM 846 N PHE A 53 10.141 -20.565 -0.064 1.00 0.00 N ATOM 847 CA PHE A 53 11.086 -21.517 -0.686 1.00 0.00 C ATOM 848 C PHE A 53 12.277 -20.803 -1.360 1.00 0.00 C ATOM 849 O PHE A 53 13.072 -21.437 -2.057 1.00 0.00 O ATOM 850 CB PHE A 53 10.371 -22.405 -1.724 1.00 0.00 C ATOM 851 CG PHE A 53 9.258 -23.280 -1.185 1.00 0.00 C ATOM 852 CD1 PHE A 53 8.794 -23.141 0.113 1.00 0.00 C ATOM 853 CD2 PHE A 53 8.669 -24.246 -1.999 1.00 0.00 C ATOM 854 CE1 PHE A 53 7.773 -23.944 0.585 1.00 0.00 C ATOM 855 CE2 PHE A 53 7.650 -25.045 -1.526 1.00 0.00 C ATOM 856 CZ PHE A 53 7.201 -24.893 -0.234 1.00 0.00 C ATOM 0 H PHE A 53 10.131 -20.598 0.955 1.00 0.00 H new ATOM 0 HA PHE A 53 11.474 -22.138 0.121 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.959 -21.762 -2.502 1.00 0.00 H new ATOM 0 HB3 PHE A 53 11.114 -23.045 -2.200 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.234 -22.398 0.762 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.016 -24.370 -3.014 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.422 -23.827 1.600 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.204 -25.790 -2.169 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.401 -25.517 0.137 1.00 0.00 H new ATOM 866 N ASN A 54 12.413 -19.498 -1.131 1.00 0.00 N ATOM 867 CA ASN A 54 13.423 -18.689 -1.824 1.00 0.00 C ATOM 868 C ASN A 54 14.678 -18.451 -0.965 1.00 0.00 C ATOM 869 O ASN A 54 14.706 -18.773 0.224 1.00 0.00 O ATOM 870 CB ASN A 54 12.840 -17.362 -2.273 1.00 0.00 C ATOM 871 CG ASN A 54 12.489 -16.441 -1.137 1.00 0.00 C ATOM 872 OD1 ASN A 54 13.312 -16.171 -0.254 1.00 0.00 O ATOM 873 ND2 ASN A 54 11.250 -16.021 -1.113 1.00 0.00 N ATOM 0 H ASN A 54 11.838 -18.975 -0.471 1.00 0.00 H new ATOM 0 HA ASN A 54 13.730 -19.260 -2.701 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.556 -16.863 -2.926 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.945 -17.550 -2.866 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.923 -15.442 -0.340 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.611 -16.273 -1.867 1.00 0.00 H new ATOM 880 N SER A 55 15.712 -17.868 -1.579 1.00 0.00 N ATOM 881 CA SER A 55 16.948 -17.497 -0.866 1.00 0.00 C ATOM 882 C SER A 55 17.139 -15.970 -0.853 1.00 0.00 C ATOM 883 O SER A 55 18.252 -15.465 -1.009 1.00 0.00 O ATOM 884 CB SER A 55 18.146 -18.173 -1.505 1.00 0.00 C ATOM 885 OG SER A 55 18.251 -17.877 -2.870 1.00 0.00 O ATOM 0 H SER A 55 15.722 -17.640 -2.573 1.00 0.00 H new ATOM 0 HA SER A 55 16.861 -17.837 0.166 1.00 0.00 H new ATOM 0 HB2 SER A 55 19.056 -17.856 -0.995 1.00 0.00 H new ATOM 0 HB3 SER A 55 18.066 -19.252 -1.373 1.00 0.00 H new ATOM 0 HG SER A 55 17.404 -18.087 -3.316 1.00 0.00 H new ATOM 891 N THR A 56 16.032 -15.253 -0.684 1.00 0.00 N ATOM 892 CA THR A 56 16.027 -13.784 -0.632 1.00 0.00 C ATOM 893 C THR A 56 15.656 -13.246 0.762 1.00 0.00 C ATOM 894 O THR A 56 15.126 -13.972 1.602 1.00 0.00 O ATOM 895 CB THR A 56 15.051 -13.195 -1.668 1.00 0.00 C ATOM 896 OG1 THR A 56 13.712 -13.591 -1.343 1.00 0.00 O ATOM 897 CG2 THR A 56 15.396 -13.685 -3.065 1.00 0.00 C ATOM 0 H THR A 56 15.107 -15.670 -0.578 1.00 0.00 H new ATOM 0 HA THR A 56 17.045 -13.471 -0.863 1.00 0.00 H new ATOM 0 HB THR A 56 15.132 -12.108 -1.646 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.165 -12.794 -1.183 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.696 -13.259 -3.783 1.00 0.00 H new ATOM 0 HG22 THR A 56 16.410 -13.376 -3.319 1.00 0.00 H new ATOM 0 HG23 THR A 56 15.330 -14.773 -3.096 1.00 0.00 H new ATOM 905 N GLU A 57 15.935 -11.958 0.992 1.00 0.00 N ATOM 906 CA GLU A 57 15.666 -11.300 2.283 1.00 0.00 C ATOM 907 C GLU A 57 14.161 -11.101 2.572 1.00 0.00 C ATOM 908 O GLU A 57 13.415 -10.571 1.740 1.00 0.00 O ATOM 909 CB GLU A 57 16.381 -9.949 2.335 1.00 0.00 C ATOM 910 CG GLU A 57 16.259 -9.223 3.668 1.00 0.00 C ATOM 911 CD GLU A 57 17.017 -7.924 3.654 1.00 0.00 C ATOM 912 OE1 GLU A 57 17.617 -7.619 2.651 1.00 0.00 O ATOM 913 OE2 GLU A 57 16.904 -7.185 4.603 1.00 0.00 O ATOM 0 H GLU A 57 16.352 -11.342 0.294 1.00 0.00 H new ATOM 0 HA GLU A 57 16.048 -11.967 3.056 1.00 0.00 H new ATOM 0 HB2 GLU A 57 17.437 -10.102 2.114 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.980 -9.309 1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.208 -9.031 3.885 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.639 -9.859 4.467 1.00 0.00 H new ATOM 920 N SER A 58 13.724 -11.550 3.747 1.00 0.00 N ATOM 921 CA SER A 58 12.345 -11.339 4.206 1.00 0.00 C ATOM 922 C SER A 58 11.979 -9.843 4.210 1.00 0.00 C ATOM 923 O SER A 58 12.753 -9.011 4.693 1.00 0.00 O ATOM 924 CB SER A 58 12.160 -11.934 5.588 1.00 0.00 C ATOM 925 OG SER A 58 10.890 -11.661 6.113 1.00 0.00 O ATOM 0 H SER A 58 14.307 -12.066 4.406 1.00 0.00 H new ATOM 0 HA SER A 58 11.675 -11.843 3.510 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.308 -13.013 5.541 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.922 -11.537 6.258 1.00 0.00 H new ATOM 0 HG SER A 58 10.203 -12.007 5.505 1.00 0.00 H new ATOM 931 N GLU A 59 10.795 -9.501 3.692 1.00 0.00 N ATOM 932 CA GLU A 59 10.294 -8.118 3.786 1.00 0.00 C ATOM 933 C GLU A 59 8.977 -7.998 4.583 1.00 0.00 C ATOM 934 O GLU A 59 8.770 -7.018 5.308 1.00 0.00 O ATOM 935 CB GLU A 59 10.099 -7.541 2.382 1.00 0.00 C ATOM 936 CG GLU A 59 11.385 -7.377 1.585 1.00 0.00 C ATOM 937 CD GLU A 59 11.104 -6.904 0.185 1.00 0.00 C ATOM 938 OE1 GLU A 59 9.954 -6.770 -0.156 1.00 0.00 O ATOM 939 OE2 GLU A 59 12.037 -6.569 -0.505 1.00 0.00 O ATOM 0 H GLU A 59 10.171 -10.148 3.210 1.00 0.00 H new ATOM 0 HA GLU A 59 11.047 -7.550 4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.422 -8.190 1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.612 -6.570 2.466 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.038 -6.664 2.088 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.917 -8.328 1.550 1.00 0.00 H new ATOM 946 N VAL A 60 8.099 -8.996 4.474 1.00 0.00 N ATOM 947 CA VAL A 60 6.820 -8.983 5.207 1.00 0.00 C ATOM 948 C VAL A 60 6.534 -10.332 5.917 1.00 0.00 C ATOM 949 O VAL A 60 5.382 -10.680 6.195 1.00 0.00 O ATOM 950 CB VAL A 60 5.646 -8.656 4.266 1.00 0.00 C ATOM 951 CG1 VAL A 60 5.750 -7.223 3.762 1.00 0.00 C ATOM 952 CG2 VAL A 60 5.612 -9.628 3.097 1.00 0.00 C ATOM 0 H VAL A 60 8.243 -9.821 3.891 1.00 0.00 H new ATOM 0 HA VAL A 60 6.912 -8.206 5.966 1.00 0.00 H new ATOM 0 HB VAL A 60 4.717 -8.759 4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.912 -7.009 3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.727 -6.537 4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.686 -7.096 3.218 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.776 -9.381 2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.544 -9.556 2.537 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.492 -10.644 3.472 1.00 0.00 H new ATOM 962 N GLN A 61 7.609 -11.070 6.219 1.00 0.00 N ATOM 963 CA GLN A 61 7.554 -12.344 6.972 1.00 0.00 C ATOM 964 C GLN A 61 6.594 -13.387 6.363 1.00 0.00 C ATOM 965 O GLN A 61 5.721 -13.920 7.053 1.00 0.00 O ATOM 966 CB GLN A 61 7.141 -12.074 8.421 1.00 0.00 C ATOM 967 CG GLN A 61 8.157 -11.276 9.221 1.00 0.00 C ATOM 968 CD GLN A 61 9.398 -12.085 9.550 1.00 0.00 C ATOM 969 OE1 GLN A 61 9.352 -13.014 10.362 1.00 0.00 O ATOM 970 NE2 GLN A 61 10.516 -11.735 8.924 1.00 0.00 N ATOM 0 H GLN A 61 8.555 -10.803 5.948 1.00 0.00 H new ATOM 0 HA GLN A 61 8.557 -12.767 6.921 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.192 -11.538 8.422 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.969 -13.027 8.921 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.444 -10.389 8.657 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.696 -10.930 10.146 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.508 -10.960 8.260 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.383 -12.241 9.107 1.00 0.00 H new ATOM 979 N CYS A 62 6.782 -13.714 5.084 1.00 0.00 N ATOM 980 CA CYS A 62 5.913 -14.692 4.408 1.00 0.00 C ATOM 981 C CYS A 62 5.998 -16.068 5.077 1.00 0.00 C ATOM 982 O CYS A 62 5.047 -16.849 5.027 1.00 0.00 O ATOM 983 CB CYS A 62 6.496 -14.744 2.996 1.00 0.00 C ATOM 984 SG CYS A 62 6.273 -13.227 2.037 1.00 0.00 S ATOM 0 H CYS A 62 7.519 -13.324 4.496 1.00 0.00 H new ATOM 0 HA CYS A 62 4.859 -14.417 4.437 1.00 0.00 H new ATOM 0 HB2 CYS A 62 7.562 -14.962 3.064 1.00 0.00 H new ATOM 0 HB3 CYS A 62 6.035 -15.571 2.456 1.00 0.00 H new ATOM 0 HG CYS A 62 7.358 -12.513 2.096 1.00 0.00 H new ATOM 990 N GLU A 63 7.133 -16.357 5.726 1.00 0.00 N ATOM 991 CA GLU A 63 7.308 -17.637 6.436 1.00 0.00 C ATOM 992 C GLU A 63 6.045 -18.018 7.239 1.00 0.00 C ATOM 993 O GLU A 63 5.576 -19.157 7.191 1.00 0.00 O ATOM 994 CB GLU A 63 8.521 -17.566 7.367 1.00 0.00 C ATOM 995 CG GLU A 63 8.814 -18.857 8.117 1.00 0.00 C ATOM 996 CD GLU A 63 10.060 -18.735 8.950 1.00 0.00 C ATOM 997 OE1 GLU A 63 10.657 -17.685 8.941 1.00 0.00 O ATOM 998 OE2 GLU A 63 10.353 -19.649 9.683 1.00 0.00 O ATOM 0 H GLU A 63 7.937 -15.732 5.776 1.00 0.00 H new ATOM 0 HA GLU A 63 7.475 -18.411 5.687 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.398 -17.294 6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.361 -16.767 8.091 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.969 -19.107 8.758 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.928 -19.675 7.406 1.00 0.00 H new ATOM 1005 N LEU A 64 5.514 -17.059 7.987 1.00 0.00 N ATOM 1006 CA LEU A 64 4.376 -17.283 8.879 1.00 0.00 C ATOM 1007 C LEU A 64 3.094 -16.785 8.195 1.00 0.00 C ATOM 1008 O LEU A 64 2.191 -17.568 7.901 1.00 0.00 O ATOM 1009 CB LEU A 64 4.593 -16.575 10.222 1.00 0.00 C ATOM 1010 CG LEU A 64 5.788 -17.081 11.041 1.00 0.00 C ATOM 1011 CD1 LEU A 64 5.939 -16.252 12.309 1.00 0.00 C ATOM 1012 CD2 LEU A 64 5.588 -18.551 11.378 1.00 0.00 C ATOM 0 H LEU A 64 5.860 -16.099 7.994 1.00 0.00 H new ATOM 0 HA LEU A 64 4.280 -18.349 9.083 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.726 -15.509 10.036 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.690 -16.684 10.822 1.00 0.00 H new ATOM 0 HG LEU A 64 6.701 -16.977 10.455 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.790 -16.618 12.884 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.103 -15.208 12.044 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.033 -16.336 12.909 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.437 -18.910 11.960 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.674 -18.670 11.959 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.510 -19.128 10.457 1.00 0.00 H new ATOM 1024 N ILE A 65 3.041 -15.472 7.944 1.00 0.00 N ATOM 1025 CA ILE A 65 1.895 -14.819 7.294 1.00 0.00 C ATOM 1026 C ILE A 65 2.237 -13.362 6.921 1.00 0.00 C ATOM 1027 O ILE A 65 3.076 -12.719 7.556 1.00 0.00 O ATOM 1028 CB ILE A 65 0.649 -14.834 8.198 1.00 0.00 C ATOM 1029 CG1 ILE A 65 -0.589 -14.399 7.408 1.00 0.00 C ATOM 1030 CG2 ILE A 65 0.857 -13.934 9.406 1.00 0.00 C ATOM 1031 CD1 ILE A 65 -1.896 -14.737 8.088 1.00 0.00 C ATOM 0 H ILE A 65 3.794 -14.828 8.186 1.00 0.00 H new ATOM 0 HA ILE A 65 1.674 -15.384 6.388 1.00 0.00 H new ATOM 0 HB ILE A 65 0.490 -15.852 8.553 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.544 -13.322 7.243 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.567 -14.873 6.427 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.034 -13.957 10.034 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.714 -14.287 9.979 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.039 -12.913 9.072 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.727 -14.398 7.469 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.965 -15.816 8.229 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.941 -14.241 9.058 1.00 0.00 H new ATOM 1043 N THR A 66 1.583 -12.841 5.881 1.00 0.00 N ATOM 1044 CA THR A 66 1.877 -11.488 5.368 1.00 0.00 C ATOM 1045 C THR A 66 0.710 -10.512 5.634 1.00 0.00 C ATOM 1046 O THR A 66 0.894 -9.296 5.682 1.00 0.00 O ATOM 1047 CB THR A 66 2.175 -11.513 3.858 1.00 0.00 C ATOM 1048 OG1 THR A 66 1.014 -11.960 3.146 1.00 0.00 O ATOM 1049 CG2 THR A 66 3.339 -12.446 3.559 1.00 0.00 C ATOM 0 H THR A 66 0.846 -13.330 5.373 1.00 0.00 H new ATOM 0 HA THR A 66 2.760 -11.139 5.903 1.00 0.00 H new ATOM 0 HB THR A 66 2.440 -10.505 3.539 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.143 -12.888 2.860 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.535 -12.451 2.487 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.227 -12.101 4.089 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.090 -13.455 3.887 1.00 0.00 H new ATOM 1057 N GLY A 67 -0.491 -11.055 5.818 1.00 0.00 N ATOM 1058 CA GLY A 67 -1.712 -10.267 5.684 1.00 0.00 C ATOM 1059 C GLY A 67 -2.334 -10.310 4.288 1.00 0.00 C ATOM 1060 O GLY A 67 -3.514 -9.989 4.116 1.00 0.00 O ATOM 0 H GLY A 67 -0.644 -12.034 6.059 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.444 -10.626 6.407 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.492 -9.231 5.940 1.00 0.00 H new ATOM 1064 N GLU A 68 -1.544 -10.718 3.293 1.00 0.00 N ATOM 1065 CA GLU A 68 -2.062 -11.024 1.953 1.00 0.00 C ATOM 1066 C GLU A 68 -2.257 -12.530 1.700 1.00 0.00 C ATOM 1067 O GLU A 68 -2.994 -12.918 0.794 1.00 0.00 O ATOM 1068 CB GLU A 68 -1.126 -10.441 0.892 1.00 0.00 C ATOM 1069 CG GLU A 68 -1.139 -8.921 0.808 1.00 0.00 C ATOM 1070 CD GLU A 68 -0.533 -8.301 2.036 1.00 0.00 C ATOM 1071 OE1 GLU A 68 0.543 -8.703 2.412 1.00 0.00 O ATOM 1072 OE2 GLU A 68 -1.089 -7.350 2.534 1.00 0.00 O ATOM 0 H GLU A 68 -0.537 -10.846 3.389 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.049 -10.566 1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.109 -10.772 1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.401 -10.849 -0.081 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.587 -8.599 -0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.164 -8.570 0.689 1.00 0.00 H new ATOM 1079 N PHE A 69 -1.587 -13.370 2.487 1.00 0.00 N ATOM 1080 CA PHE A 69 -1.757 -14.831 2.388 1.00 0.00 C ATOM 1081 C PHE A 69 -2.878 -15.359 3.306 1.00 0.00 C ATOM 1082 O PHE A 69 -2.933 -16.555 3.606 1.00 0.00 O ATOM 1083 CB PHE A 69 -0.440 -15.536 2.719 1.00 0.00 C ATOM 1084 CG PHE A 69 0.689 -15.171 1.799 1.00 0.00 C ATOM 1085 CD1 PHE A 69 0.443 -14.525 0.597 1.00 0.00 C ATOM 1086 CD2 PHE A 69 2.001 -15.474 2.134 1.00 0.00 C ATOM 1087 CE1 PHE A 69 1.482 -14.189 -0.251 1.00 0.00 C ATOM 1088 CE2 PHE A 69 3.042 -15.138 1.289 1.00 0.00 C ATOM 1089 CZ PHE A 69 2.781 -14.495 0.095 1.00 0.00 C ATOM 0 H PHE A 69 -0.922 -13.072 3.200 1.00 0.00 H new ATOM 0 HA PHE A 69 -2.048 -15.051 1.361 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.156 -15.293 3.743 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.595 -16.614 2.679 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.572 -14.281 0.320 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.211 -15.978 3.066 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.276 -13.687 -1.185 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.059 -15.378 1.562 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.593 -14.232 -0.567 1.00 0.00 H new ATOM 1099 N ASP A 70 -3.759 -14.464 3.752 1.00 0.00 N ATOM 1100 CA ASP A 70 -4.822 -14.808 4.705 1.00 0.00 C ATOM 1101 C ASP A 70 -5.831 -15.809 4.084 1.00 0.00 C ATOM 1102 O ASP A 70 -6.539 -15.475 3.132 1.00 0.00 O ATOM 1103 CB ASP A 70 -5.546 -13.541 5.170 1.00 0.00 C ATOM 1104 CG ASP A 70 -6.644 -13.786 6.197 1.00 0.00 C ATOM 1105 OD1 ASP A 70 -6.967 -14.927 6.431 1.00 0.00 O ATOM 1106 OD2 ASP A 70 -7.038 -12.851 6.849 1.00 0.00 O ATOM 0 H ASP A 70 -3.759 -13.485 3.467 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.360 -15.289 5.567 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.814 -12.854 5.595 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.981 -13.046 4.302 1.00 0.00 H new ATOM 1111 N PRO A 71 -5.913 -17.048 4.625 1.00 0.00 N ATOM 1112 CA PRO A 71 -6.879 -18.078 4.160 1.00 0.00 C ATOM 1113 C PRO A 71 -8.362 -17.631 4.111 1.00 0.00 C ATOM 1114 O PRO A 71 -9.147 -18.187 3.339 1.00 0.00 O ATOM 1115 CB PRO A 71 -6.678 -19.217 5.164 1.00 0.00 C ATOM 1116 CG PRO A 71 -5.274 -19.052 5.637 1.00 0.00 C ATOM 1117 CD PRO A 71 -5.054 -17.564 5.720 1.00 0.00 C ATOM 0 HA PRO A 71 -6.684 -18.342 3.121 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -7.386 -19.148 5.990 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.828 -20.190 4.696 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.128 -19.526 6.608 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.569 -19.516 4.947 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.350 -17.164 6.690 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.007 -17.300 5.572 1.00 0.00 H new ATOM 1125 N LYS A 72 -8.754 -16.646 4.921 1.00 0.00 N ATOM 1126 CA LYS A 72 -10.145 -16.163 4.924 1.00 0.00 C ATOM 1127 C LYS A 72 -10.446 -15.336 3.656 1.00 0.00 C ATOM 1128 O LYS A 72 -11.584 -15.293 3.188 1.00 0.00 O ATOM 1129 CB LYS A 72 -10.420 -15.331 6.177 1.00 0.00 C ATOM 1130 CG LYS A 72 -10.429 -16.130 7.473 1.00 0.00 C ATOM 1131 CD LYS A 72 -10.702 -15.235 8.672 1.00 0.00 C ATOM 1132 CE LYS A 72 -10.711 -16.033 9.969 1.00 0.00 C ATOM 1133 NZ LYS A 72 -10.955 -15.167 11.154 1.00 0.00 N ATOM 0 H LYS A 72 -8.138 -16.168 5.579 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.803 -17.032 4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.665 -14.549 6.252 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.383 -14.834 6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.189 -16.909 7.417 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.469 -16.630 7.601 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.942 -14.456 8.727 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.662 -14.735 8.544 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.482 -16.802 9.917 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.757 -16.547 10.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.953 -15.749 12.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.205 -14.449 11.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.877 -14.696 11.056 1.00 0.00 H new ATOM 1147 N LEU A 73 -9.425 -14.670 3.116 1.00 0.00 N ATOM 1148 CA LEU A 73 -9.597 -13.813 1.931 1.00 0.00 C ATOM 1149 C LEU A 73 -9.065 -14.487 0.654 1.00 0.00 C ATOM 1150 O LEU A 73 -9.210 -13.947 -0.443 1.00 0.00 O ATOM 1151 CB LEU A 73 -8.897 -12.468 2.152 1.00 0.00 C ATOM 1152 CG LEU A 73 -9.413 -11.650 3.343 1.00 0.00 C ATOM 1153 CD1 LEU A 73 -8.573 -10.391 3.517 1.00 0.00 C ATOM 1154 CD2 LEU A 73 -10.876 -11.296 3.121 1.00 0.00 C ATOM 0 H LEU A 73 -8.471 -14.704 3.475 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.665 -13.648 1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.831 -12.650 2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.002 -11.869 1.248 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.330 -12.243 4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.948 -9.818 4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.534 -10.669 3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.635 -9.785 2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.242 -10.715 3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.974 -10.709 2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.462 -12.211 3.028 1.00 0.00 H new ATOM 1166 N LEU A 74 -8.448 -15.658 0.797 1.00 0.00 N ATOM 1167 CA LEU A 74 -7.873 -16.372 -0.351 1.00 0.00 C ATOM 1168 C LEU A 74 -8.923 -17.308 -0.984 1.00 0.00 C ATOM 1169 O LEU A 74 -9.369 -18.267 -0.347 1.00 0.00 O ATOM 1170 CB LEU A 74 -6.632 -17.164 0.083 1.00 0.00 C ATOM 1171 CG LEU A 74 -6.036 -18.082 -0.992 1.00 0.00 C ATOM 1172 CD1 LEU A 74 -5.478 -17.249 -2.138 1.00 0.00 C ATOM 1173 CD2 LEU A 74 -4.948 -18.948 -0.374 1.00 0.00 C ATOM 0 H LEU A 74 -8.331 -16.135 1.691 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.571 -15.641 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.864 -16.460 0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.892 -17.769 0.952 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.816 -18.731 -1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.057 -17.909 -2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.278 -16.654 -2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.699 -16.587 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.525 -19.600 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.164 -18.311 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.375 -19.554 0.425 1.00 0.00 H new ATOM 1185 N PRO A 75 -9.332 -17.041 -2.243 1.00 0.00 N ATOM 1186 CA PRO A 75 -10.166 -17.972 -3.028 1.00 0.00 C ATOM 1187 C PRO A 75 -9.444 -19.281 -3.385 1.00 0.00 C ATOM 1188 O PRO A 75 -8.224 -19.312 -3.555 1.00 0.00 O ATOM 1189 CB PRO A 75 -10.527 -17.166 -4.279 1.00 0.00 C ATOM 1190 CG PRO A 75 -9.378 -16.235 -4.465 1.00 0.00 C ATOM 1191 CD PRO A 75 -8.946 -15.852 -3.075 1.00 0.00 C ATOM 0 HA PRO A 75 -11.037 -18.305 -2.464 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -10.657 -17.814 -5.145 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.462 -16.622 -4.145 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -8.566 -16.717 -5.010 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -9.672 -15.358 -5.041 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -7.874 -15.661 -3.027 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.447 -14.946 -2.735 1.00 0.00 H new ATOM 1199 N TYR A 76 -10.199 -20.373 -3.505 1.00 0.00 N ATOM 1200 CA TYR A 76 -9.593 -21.697 -3.661 1.00 0.00 C ATOM 1201 C TYR A 76 -10.022 -22.395 -4.962 1.00 0.00 C ATOM 1202 O TYR A 76 -11.044 -23.079 -5.021 1.00 0.00 O ATOM 1203 CB TYR A 76 -9.946 -22.577 -2.460 1.00 0.00 C ATOM 1204 CG TYR A 76 -9.433 -22.047 -1.140 1.00 0.00 C ATOM 1205 CD1 TYR A 76 -8.096 -22.166 -0.797 1.00 0.00 C ATOM 1206 CD2 TYR A 76 -10.289 -21.430 -0.239 1.00 0.00 C ATOM 1207 CE1 TYR A 76 -7.621 -21.684 0.408 1.00 0.00 C ATOM 1208 CE2 TYR A 76 -9.827 -20.944 0.968 1.00 0.00 C ATOM 1209 CZ TYR A 76 -8.491 -21.073 1.288 1.00 0.00 C ATOM 1210 OH TYR A 76 -8.024 -20.592 2.490 1.00 0.00 O ATOM 0 H TYR A 76 -11.219 -20.369 -3.498 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.514 -21.551 -3.714 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.030 -22.679 -2.403 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.540 -23.576 -2.622 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.413 -22.644 -1.483 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -11.335 -21.328 -0.486 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.576 -21.785 0.659 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.507 -20.466 1.657 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.497 -19.765 2.717 1.00 0.00 H new ATOM 1220 N ASP A 77 -9.237 -22.191 -6.016 1.00 0.00 N ATOM 1221 CA ASP A 77 -9.309 -23.025 -7.220 1.00 0.00 C ATOM 1222 C ASP A 77 -8.341 -24.212 -7.068 1.00 0.00 C ATOM 1223 O ASP A 77 -7.530 -24.223 -6.149 1.00 0.00 O ATOM 1224 CB ASP A 77 -8.977 -22.213 -8.473 1.00 0.00 C ATOM 1225 CG ASP A 77 -9.541 -22.788 -9.765 1.00 0.00 C ATOM 1226 OD1 ASP A 77 -10.080 -23.869 -9.725 1.00 0.00 O ATOM 1227 OD2 ASP A 77 -9.572 -22.081 -10.744 1.00 0.00 O ATOM 0 H ASP A 77 -8.537 -21.450 -6.064 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.327 -23.398 -7.334 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.357 -21.199 -8.345 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.894 -22.138 -8.566 1.00 0.00 H new ATOM 1232 N LYS A 78 -8.410 -25.192 -7.967 1.00 0.00 N ATOM 1233 CA LYS A 78 -7.572 -26.398 -7.860 1.00 0.00 C ATOM 1234 C LYS A 78 -6.069 -26.057 -7.976 1.00 0.00 C ATOM 1235 O LYS A 78 -5.303 -26.200 -7.013 1.00 0.00 O ATOM 1236 CB LYS A 78 -7.966 -27.414 -8.933 1.00 0.00 C ATOM 1237 CG LYS A 78 -7.163 -28.707 -8.898 1.00 0.00 C ATOM 1238 CD LYS A 78 -7.635 -29.681 -9.969 1.00 0.00 C ATOM 1239 CE LYS A 78 -6.824 -30.968 -9.944 1.00 0.00 C ATOM 1240 NZ LYS A 78 -7.262 -31.922 -10.999 1.00 0.00 N ATOM 0 H LYS A 78 -9.032 -25.181 -8.775 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.741 -26.833 -6.875 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.023 -27.654 -8.819 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.848 -26.953 -9.914 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.106 -28.485 -9.046 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.257 -29.170 -7.916 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.689 -29.910 -9.815 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.550 -29.214 -10.950 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.768 -30.734 -10.082 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.921 -31.439 -8.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.685 -32.785 -10.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.263 -32.165 -10.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.145 -31.483 -11.934 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.664 -25.559 -9.146 1.00 0.00 N ATOM 1255 CA ARG A 79 -4.251 -25.262 -9.412 1.00 0.00 C ATOM 1256 C ARG A 79 -3.776 -24.034 -8.626 1.00 0.00 C ATOM 1257 O ARG A 79 -2.655 -24.015 -8.105 1.00 0.00 O ATOM 1258 CB ARG A 79 -3.969 -25.113 -10.899 1.00 0.00 C ATOM 1259 CG ARG A 79 -4.091 -26.396 -11.705 1.00 0.00 C ATOM 1260 CD ARG A 79 -4.031 -26.203 -13.177 1.00 0.00 C ATOM 1261 NE ARG A 79 -4.153 -27.427 -13.952 1.00 0.00 N ATOM 1262 CZ ARG A 79 -4.264 -27.476 -15.294 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -4.305 -26.375 -16.010 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -4.354 -28.662 -15.870 1.00 0.00 N ATOM 0 H ARG A 79 -6.291 -25.353 -9.924 1.00 0.00 H new ATOM 0 HA ARG A 79 -3.676 -26.119 -9.062 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.656 -24.375 -11.312 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.962 -24.716 -11.025 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.293 -27.076 -11.407 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.034 -26.881 -11.452 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.827 -25.520 -13.474 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.086 -25.721 -13.429 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.155 -28.311 -13.444 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.253 -25.466 -15.551 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.389 -26.430 -17.025 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.338 -29.508 -15.300 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.439 -28.731 -16.884 1.00 0.00 H new ATOM 1278 N LEU A 80 -4.625 -23.010 -8.555 1.00 0.00 N ATOM 1279 CA LEU A 80 -4.309 -21.778 -7.820 1.00 0.00 C ATOM 1280 C LEU A 80 -4.011 -22.073 -6.338 1.00 0.00 C ATOM 1281 O LEU A 80 -2.904 -21.820 -5.853 1.00 0.00 O ATOM 1282 CB LEU A 80 -5.467 -20.779 -7.943 1.00 0.00 C ATOM 1283 CG LEU A 80 -5.286 -19.471 -7.163 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -4.156 -18.653 -7.772 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -6.590 -18.685 -7.177 1.00 0.00 C ATOM 0 H LEU A 80 -5.543 -23.006 -8.999 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.413 -21.341 -8.260 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.608 -20.539 -8.997 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.382 -21.264 -7.601 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.025 -19.697 -6.129 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.035 -17.726 -7.212 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.229 -19.226 -7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.393 -18.421 -8.810 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.461 -17.756 -6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.867 -18.458 -8.206 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.377 -19.278 -6.712 1.00 0.00 H new ATOM 1297 N ALA A 81 -4.997 -22.640 -5.640 1.00 0.00 N ATOM 1298 CA ALA A 81 -4.879 -22.902 -4.203 1.00 0.00 C ATOM 1299 C ALA A 81 -3.694 -23.813 -3.878 1.00 0.00 C ATOM 1300 O ALA A 81 -2.910 -23.507 -2.984 1.00 0.00 O ATOM 1301 CB ALA A 81 -6.167 -23.501 -3.653 1.00 0.00 C ATOM 0 H ALA A 81 -5.887 -22.927 -6.047 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.699 -21.941 -3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.055 -23.687 -2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.990 -22.806 -3.816 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.379 -24.440 -4.164 1.00 0.00 H new ATOM 1307 N TRP A 82 -3.552 -24.924 -4.615 1.00 0.00 N ATOM 1308 CA TRP A 82 -2.485 -25.891 -4.320 1.00 0.00 C ATOM 1309 C TRP A 82 -1.097 -25.238 -4.378 1.00 0.00 C ATOM 1310 O TRP A 82 -0.384 -25.207 -3.385 1.00 0.00 O ATOM 1311 CB TRP A 82 -2.550 -27.066 -5.297 1.00 0.00 C ATOM 1312 CG TRP A 82 -1.357 -27.972 -5.224 1.00 0.00 C ATOM 1313 CD1 TRP A 82 -0.414 -27.999 -4.240 1.00 0.00 C ATOM 1314 CD2 TRP A 82 -0.981 -28.979 -6.170 1.00 0.00 C ATOM 1315 NE1 TRP A 82 0.527 -28.960 -4.514 1.00 0.00 N ATOM 1316 CE2 TRP A 82 0.200 -29.578 -5.695 1.00 0.00 C ATOM 1317 CE3 TRP A 82 -1.532 -29.435 -7.374 1.00 0.00 C ATOM 1318 CZ2 TRP A 82 0.841 -30.601 -6.377 1.00 0.00 C ATOM 1319 CZ3 TRP A 82 -0.890 -30.460 -8.057 1.00 0.00 C ATOM 1320 CH2 TRP A 82 0.262 -31.027 -7.572 1.00 0.00 C ATOM 0 H TRP A 82 -4.149 -25.172 -5.404 1.00 0.00 H new ATOM 0 HA TRP A 82 -2.642 -26.256 -3.305 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -3.450 -27.647 -5.095 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -2.641 -26.679 -6.312 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -0.408 -27.358 -3.371 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.337 -29.179 -3.934 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -2.439 -28.998 -7.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 1.749 -31.048 -5.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -1.305 -30.818 -8.988 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.732 -31.823 -8.130 1.00 0.00 H new ATOM 1331 N HIS A 83 -0.737 -24.692 -5.537 1.00 0.00 N ATOM 1332 CA HIS A 83 0.643 -24.251 -5.779 1.00 0.00 C ATOM 1333 C HIS A 83 0.956 -22.928 -5.070 1.00 0.00 C ATOM 1334 O HIS A 83 2.024 -22.773 -4.487 1.00 0.00 O ATOM 1335 CB HIS A 83 0.904 -24.107 -7.282 1.00 0.00 C ATOM 1336 CG HIS A 83 0.847 -25.402 -8.029 1.00 0.00 C ATOM 1337 ND1 HIS A 83 -0.293 -25.846 -8.665 1.00 0.00 N ATOM 1338 CD2 HIS A 83 1.789 -26.351 -8.241 1.00 0.00 C ATOM 1339 CE1 HIS A 83 -0.050 -27.012 -9.238 1.00 0.00 C ATOM 1340 NE2 HIS A 83 1.207 -27.340 -8.995 1.00 0.00 N ATOM 0 H HIS A 83 -1.373 -24.543 -6.321 1.00 0.00 H new ATOM 0 HA HIS A 83 1.301 -25.016 -5.367 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.170 -23.421 -7.705 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.885 -23.655 -7.430 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -1.185 -25.352 -8.689 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.808 -26.333 -7.884 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.757 -27.597 -9.807 1.00 0.00 H new ATOM 1345 N PHE A 84 0.021 -21.986 -5.098 1.00 0.00 N ATOM 1346 CA PHE A 84 0.239 -20.677 -4.472 1.00 0.00 C ATOM 1347 C PHE A 84 0.345 -20.775 -2.932 1.00 0.00 C ATOM 1348 O PHE A 84 1.257 -20.210 -2.327 1.00 0.00 O ATOM 1349 CB PHE A 84 -0.870 -19.703 -4.889 1.00 0.00 C ATOM 1350 CG PHE A 84 -0.721 -19.178 -6.305 1.00 0.00 C ATOM 1351 CD1 PHE A 84 -0.630 -20.048 -7.388 1.00 0.00 C ATOM 1352 CD2 PHE A 84 -0.675 -17.810 -6.551 1.00 0.00 C ATOM 1353 CE1 PHE A 84 -0.499 -19.566 -8.675 1.00 0.00 C ATOM 1354 CE2 PHE A 84 -0.544 -17.326 -7.839 1.00 0.00 C ATOM 1355 CZ PHE A 84 -0.456 -18.204 -8.902 1.00 0.00 C ATOM 0 H PHE A 84 -0.890 -22.097 -5.542 1.00 0.00 H new ATOM 0 HA PHE A 84 1.196 -20.295 -4.826 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -1.834 -20.203 -4.796 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.880 -18.860 -4.198 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.662 -21.114 -7.219 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.742 -17.117 -5.725 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.430 -20.254 -9.505 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.510 -16.261 -8.015 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.354 -17.826 -9.909 1.00 0.00 H new ATOM 1365 N LYS A 85 -0.578 -21.502 -2.297 1.00 0.00 N ATOM 1366 CA LYS A 85 -0.558 -21.663 -0.833 1.00 0.00 C ATOM 1367 C LYS A 85 0.666 -22.478 -0.365 1.00 0.00 C ATOM 1368 O LYS A 85 1.365 -22.082 0.568 1.00 0.00 O ATOM 1369 CB LYS A 85 -1.846 -22.335 -0.355 1.00 0.00 C ATOM 1370 CG LYS A 85 -1.949 -22.499 1.156 1.00 0.00 C ATOM 1371 CD LYS A 85 -3.241 -23.196 1.551 1.00 0.00 C ATOM 1372 CE LYS A 85 -3.304 -23.437 3.052 1.00 0.00 C ATOM 1373 NZ LYS A 85 -4.466 -24.285 3.432 1.00 0.00 N ATOM 0 H LYS A 85 -1.344 -21.986 -2.765 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.485 -20.668 -0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -2.697 -21.750 -0.703 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.923 -23.318 -0.821 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.098 -23.074 1.520 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.901 -21.521 1.634 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.093 -22.590 1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.319 -24.147 1.024 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.382 -23.917 3.381 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.368 -22.480 3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.472 -24.425 4.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.348 -23.816 3.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.392 -25.208 2.958 1.00 0.00 H new ATOM 1387 N GLU A 86 0.920 -23.603 -1.025 1.00 0.00 N ATOM 1388 CA GLU A 86 1.972 -24.546 -0.615 1.00 0.00 C ATOM 1389 C GLU A 86 3.380 -23.950 -0.793 1.00 0.00 C ATOM 1390 O GLU A 86 4.304 -24.282 -0.051 1.00 0.00 O ATOM 1391 CB GLU A 86 1.855 -25.851 -1.407 1.00 0.00 C ATOM 1392 CG GLU A 86 0.668 -26.719 -1.016 1.00 0.00 C ATOM 1393 CD GLU A 86 0.754 -27.145 0.423 1.00 0.00 C ATOM 1394 OE1 GLU A 86 1.754 -27.710 0.797 1.00 0.00 O ATOM 1395 OE2 GLU A 86 -0.129 -26.808 1.175 1.00 0.00 O ATOM 0 H GLU A 86 0.408 -23.893 -1.858 1.00 0.00 H new ATOM 0 HA GLU A 86 1.829 -24.751 0.446 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.781 -25.613 -2.468 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.771 -26.427 -1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.258 -26.168 -1.180 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.632 -27.600 -1.657 1.00 0.00 H new ATOM 1402 N PHE A 87 3.531 -23.065 -1.771 1.00 0.00 N ATOM 1403 CA PHE A 87 4.816 -22.407 -2.036 1.00 0.00 C ATOM 1404 C PHE A 87 5.040 -21.198 -1.110 1.00 0.00 C ATOM 1405 O PHE A 87 6.108 -21.051 -0.519 1.00 0.00 O ATOM 1406 CB PHE A 87 4.869 -21.960 -3.504 1.00 0.00 C ATOM 1407 CG PHE A 87 6.214 -21.442 -3.959 1.00 0.00 C ATOM 1408 CD1 PHE A 87 7.246 -22.324 -4.251 1.00 0.00 C ATOM 1409 CD2 PHE A 87 6.439 -20.082 -4.114 1.00 0.00 C ATOM 1410 CE1 PHE A 87 8.474 -21.859 -4.683 1.00 0.00 C ATOM 1411 CE2 PHE A 87 7.665 -19.615 -4.550 1.00 0.00 C ATOM 1412 CZ PHE A 87 8.683 -20.503 -4.832 1.00 0.00 C ATOM 0 H PHE A 87 2.779 -22.782 -2.399 1.00 0.00 H new ATOM 0 HA PHE A 87 5.611 -23.125 -1.837 1.00 0.00 H new ATOM 0 HB2 PHE A 87 4.586 -22.802 -4.136 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.123 -21.180 -3.659 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.087 -23.386 -4.139 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.648 -19.381 -3.892 1.00 0.00 H new ATOM 0 HE1 PHE A 87 9.269 -22.556 -4.904 1.00 0.00 H new ATOM 0 HE2 PHE A 87 7.826 -18.554 -4.670 1.00 0.00 H new ATOM 0 HZ PHE A 87 9.642 -20.137 -5.169 1.00 0.00 H new ATOM 1422 N CYS A 88 4.025 -20.337 -0.986 1.00 0.00 N ATOM 1423 CA CYS A 88 4.192 -19.029 -0.328 1.00 0.00 C ATOM 1424 C CYS A 88 3.830 -19.055 1.167 1.00 0.00 C ATOM 1425 O CYS A 88 4.533 -18.476 1.994 1.00 0.00 O ATOM 1426 CB CYS A 88 3.204 -18.152 -1.097 1.00 0.00 C ATOM 1427 SG CYS A 88 3.569 -17.979 -2.860 1.00 0.00 S ATOM 0 H CYS A 88 3.082 -20.517 -1.330 1.00 0.00 H new ATOM 0 HA CYS A 88 5.226 -18.685 -0.351 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.204 -18.570 -0.985 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.188 -17.161 -0.643 1.00 0.00 H new ATOM 0 HG CYS A 88 2.497 -17.601 -3.490 1.00 0.00 H new ATOM 1433 N TYR A 89 2.736 -19.735 1.517 1.00 0.00 N ATOM 1434 CA TYR A 89 2.179 -19.666 2.883 1.00 0.00 C ATOM 1435 C TYR A 89 2.555 -20.899 3.731 1.00 0.00 C ATOM 1436 O TYR A 89 2.109 -21.053 4.869 1.00 0.00 O ATOM 1437 CB TYR A 89 0.649 -19.504 2.805 1.00 0.00 C ATOM 1438 CG TYR A 89 -0.033 -19.300 4.151 1.00 0.00 C ATOM 1439 CD1 TYR A 89 0.215 -18.157 4.906 1.00 0.00 C ATOM 1440 CD2 TYR A 89 -0.923 -20.240 4.663 1.00 0.00 C ATOM 1441 CE1 TYR A 89 -0.398 -17.960 6.129 1.00 0.00 C ATOM 1442 CE2 TYR A 89 -1.541 -20.047 5.886 1.00 0.00 C ATOM 1443 CZ TYR A 89 -1.275 -18.905 6.614 1.00 0.00 C ATOM 1444 OH TYR A 89 -1.891 -18.708 7.832 1.00 0.00 O ATOM 0 H TYR A 89 2.215 -20.339 0.881 1.00 0.00 H new ATOM 0 HA TYR A 89 2.614 -18.800 3.381 1.00 0.00 H new ATOM 0 HB2 TYR A 89 0.418 -18.654 2.162 1.00 0.00 H new ATOM 0 HB3 TYR A 89 0.226 -20.388 2.328 1.00 0.00 H new ATOM 0 HD1 TYR A 89 0.899 -17.411 4.529 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -1.135 -21.135 4.096 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.190 -17.069 6.702 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -2.228 -20.787 6.269 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.479 -19.467 8.028 1.00 0.00 H new ATOM 1454 N LYS A 90 3.396 -21.770 3.182 1.00 0.00 N ATOM 1455 CA LYS A 90 3.884 -22.936 3.927 1.00 0.00 C ATOM 1456 C LYS A 90 4.647 -22.523 5.195 1.00 0.00 C ATOM 1457 O LYS A 90 5.744 -21.976 5.131 1.00 0.00 O ATOM 1458 CB LYS A 90 4.777 -23.799 3.035 1.00 0.00 C ATOM 1459 CG LYS A 90 4.902 -25.249 3.483 1.00 0.00 C ATOM 1460 CD LYS A 90 3.587 -25.996 3.313 1.00 0.00 C ATOM 1461 CE LYS A 90 3.718 -27.451 3.735 1.00 0.00 C ATOM 1462 NZ LYS A 90 2.444 -28.198 3.561 1.00 0.00 N ATOM 0 H LYS A 90 3.755 -21.696 2.230 1.00 0.00 H new ATOM 0 HA LYS A 90 3.014 -23.516 4.236 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.383 -23.778 2.019 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.772 -23.355 3.000 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.682 -25.745 2.904 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.210 -25.284 4.528 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.812 -25.512 3.907 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.269 -25.945 2.272 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.502 -27.930 3.148 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.027 -27.499 4.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.606 -29.208 3.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.734 -27.833 4.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.100 -28.076 2.587 1.00 0.00 H new ATOM 1476 N THR A 91 4.060 -22.791 6.357 1.00 0.00 N ATOM 1477 CA THR A 91 4.734 -22.527 7.640 1.00 0.00 C ATOM 1478 C THR A 91 5.592 -23.717 8.109 1.00 0.00 C ATOM 1479 O THR A 91 6.439 -23.581 8.994 1.00 0.00 O ATOM 1480 CB THR A 91 3.715 -22.186 8.742 1.00 0.00 C ATOM 1481 OG1 THR A 91 2.853 -23.310 8.965 1.00 0.00 O ATOM 1482 CG2 THR A 91 2.878 -20.981 8.341 1.00 0.00 C ATOM 0 H THR A 91 3.125 -23.189 6.445 1.00 0.00 H new ATOM 0 HA THR A 91 5.391 -21.675 7.465 1.00 0.00 H new ATOM 0 HB THR A 91 4.258 -21.949 9.657 1.00 0.00 H new ATOM 0 HG1 THR A 91 2.206 -23.092 9.668 1.00 0.00 H new ATOM 0 HG21 THR A 91 2.163 -20.755 9.132 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.530 -20.121 8.184 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.340 -21.202 7.419 1.00 0.00 H new ATOM 1490 N SER A 92 5.376 -24.881 7.503 1.00 0.00 N ATOM 1491 CA SER A 92 6.123 -26.095 7.854 1.00 0.00 C ATOM 1492 C SER A 92 7.337 -26.296 6.937 1.00 0.00 C ATOM 1493 O SER A 92 7.333 -25.878 5.775 1.00 0.00 O ATOM 1494 CB SER A 92 5.210 -27.304 7.791 1.00 0.00 C ATOM 1495 OG SER A 92 4.210 -27.261 8.771 1.00 0.00 O ATOM 0 H SER A 92 4.687 -25.014 6.762 1.00 0.00 H new ATOM 0 HA SER A 92 6.494 -25.978 8.872 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.749 -27.358 6.805 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.801 -28.211 7.917 1.00 0.00 H new ATOM 0 HG SER A 92 3.643 -28.057 8.695 1.00 0.00 H new ATOM 1501 N ALA A 93 8.382 -26.922 7.475 1.00 0.00 N ATOM 1502 CA ALA A 93 9.592 -27.245 6.709 1.00 0.00 C ATOM 1503 C ALA A 93 10.185 -28.582 7.177 1.00 0.00 C ATOM 1504 O ALA A 93 11.196 -28.617 7.882 1.00 0.00 O ATOM 1505 CB ALA A 93 10.617 -26.121 6.831 1.00 0.00 C ATOM 0 H ALA A 93 8.418 -27.220 8.450 1.00 0.00 H new ATOM 0 HA ALA A 93 9.321 -27.345 5.658 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.508 -26.377 6.257 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.190 -25.196 6.445 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.887 -25.987 7.879 1.00 0.00 H new ATOM 1511 N HIS A 94 9.543 -29.676 6.785 1.00 0.00 N ATOM 1512 CA HIS A 94 9.903 -31.023 7.253 1.00 0.00 C ATOM 1513 C HIS A 94 10.573 -31.842 6.126 1.00 0.00 C ATOM 1514 O HIS A 94 11.107 -31.269 5.179 1.00 0.00 O ATOM 1515 CB HIS A 94 8.665 -31.760 7.777 1.00 0.00 C ATOM 1516 CG HIS A 94 7.978 -31.054 8.903 1.00 0.00 C ATOM 1517 ND1 HIS A 94 8.569 -30.866 10.135 1.00 0.00 N ATOM 1518 CD2 HIS A 94 6.749 -30.492 8.985 1.00 0.00 C ATOM 1519 CE1 HIS A 94 7.731 -30.216 10.926 1.00 0.00 C ATOM 1520 NE2 HIS A 94 6.622 -29.979 10.252 1.00 0.00 N ATOM 0 H HIS A 94 8.758 -29.662 6.134 1.00 0.00 H new ATOM 0 HA HIS A 94 10.618 -30.914 8.068 1.00 0.00 H new ATOM 0 HB2 HIS A 94 7.958 -31.893 6.958 1.00 0.00 H new ATOM 0 HB3 HIS A 94 8.959 -32.756 8.109 1.00 0.00 H new ATOM 0 HD2 HIS A 94 6.008 -30.454 8.201 1.00 0.00 H new ATOM 0 HE1 HIS A 94 7.922 -29.928 11.949 1.00 0.00 H new ATOM 0 HE2 HIS A 94 5.802 -29.493 10.614 1.00 0.00 H new ATOM 1525 N GLY A 95 10.581 -33.177 6.258 1.00 0.00 N ATOM 1526 CA GLY A 95 11.063 -34.055 5.188 1.00 0.00 C ATOM 1527 C GLY A 95 10.350 -33.850 3.848 1.00 0.00 C ATOM 1528 O GLY A 95 10.910 -34.153 2.797 1.00 0.00 O ATOM 0 H GLY A 95 10.260 -33.668 7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.131 -33.889 5.049 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.939 -35.092 5.499 1.00 0.00 H new ATOM 1532 N ILE A 96 9.112 -33.342 3.889 1.00 0.00 N ATOM 1533 CA ILE A 96 8.432 -32.831 2.684 1.00 0.00 C ATOM 1534 C ILE A 96 8.187 -31.305 2.768 1.00 0.00 C ATOM 1535 O ILE A 96 7.133 -30.854 3.221 1.00 0.00 O ATOM 1536 CB ILE A 96 7.088 -33.546 2.457 1.00 0.00 C ATOM 1537 CG1 ILE A 96 7.303 -35.054 2.308 1.00 0.00 C ATOM 1538 CG2 ILE A 96 6.386 -32.982 1.231 1.00 0.00 C ATOM 1539 CD1 ILE A 96 6.020 -35.850 2.234 1.00 0.00 C ATOM 0 H ILE A 96 8.557 -33.272 4.742 1.00 0.00 H new ATOM 0 HA ILE A 96 9.095 -33.034 1.843 1.00 0.00 H new ATOM 0 HB ILE A 96 6.453 -33.374 3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.888 -35.241 1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.894 -35.412 3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 96 5.437 -33.499 1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.201 -31.918 1.375 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.016 -33.125 0.353 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.255 -36.909 2.129 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.442 -35.695 3.145 1.00 0.00 H new ATOM 0 HD13 ILE A 96 5.437 -35.521 1.374 1.00 0.00 H new ATOM 1551 N PRO A 97 9.180 -30.478 2.374 1.00 0.00 N ATOM 1552 CA PRO A 97 9.096 -29.020 2.504 1.00 0.00 C ATOM 1553 C PRO A 97 8.544 -28.309 1.249 1.00 0.00 C ATOM 1554 O PRO A 97 8.272 -27.111 1.282 1.00 0.00 O ATOM 1555 CB PRO A 97 10.563 -28.657 2.728 1.00 0.00 C ATOM 1556 CG PRO A 97 11.329 -29.641 1.893 1.00 0.00 C ATOM 1557 CD PRO A 97 10.535 -30.936 1.891 1.00 0.00 C ATOM 0 HA PRO A 97 8.408 -28.711 3.291 1.00 0.00 H new ATOM 0 HB2 PRO A 97 10.769 -27.632 2.421 1.00 0.00 H new ATOM 0 HB3 PRO A 97 10.834 -28.735 3.781 1.00 0.00 H new ATOM 0 HG2 PRO A 97 11.458 -29.267 0.878 1.00 0.00 H new ATOM 0 HG3 PRO A 97 12.326 -29.801 2.303 1.00 0.00 H new ATOM 0 HD2 PRO A 97 10.484 -31.381 0.897 1.00 0.00 H new ATOM 0 HD3 PRO A 97 10.972 -31.683 2.553 1.00 0.00 H new ATOM 1565 N MET A 98 8.385 -29.052 0.150 1.00 0.00 N ATOM 1566 CA MET A 98 8.062 -28.466 -1.158 1.00 0.00 C ATOM 1567 C MET A 98 6.547 -28.457 -1.434 1.00 0.00 C ATOM 1568 O MET A 98 5.743 -28.828 -0.579 1.00 0.00 O ATOM 1569 CB MET A 98 8.789 -29.230 -2.263 1.00 0.00 C ATOM 1570 CG MET A 98 10.306 -29.113 -2.216 1.00 0.00 C ATOM 1571 SD MET A 98 11.099 -29.727 -3.715 1.00 0.00 S ATOM 1572 CE MET A 98 10.833 -31.489 -3.539 1.00 0.00 C ATOM 0 H MET A 98 8.475 -30.068 0.139 1.00 0.00 H new ATOM 0 HA MET A 98 8.396 -27.429 -1.144 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.516 -30.283 -2.200 1.00 0.00 H new ATOM 0 HB3 MET A 98 8.439 -28.868 -3.229 1.00 0.00 H new ATOM 0 HG2 MET A 98 10.581 -28.069 -2.066 1.00 0.00 H new ATOM 0 HG3 MET A 98 10.683 -29.669 -1.357 1.00 0.00 H new ATOM 0 HE1 MET A 98 11.329 -32.015 -4.355 1.00 0.00 H new ATOM 0 HE2 MET A 98 11.244 -31.826 -2.587 1.00 0.00 H new ATOM 0 HE3 MET A 98 9.764 -31.700 -3.568 1.00 0.00 H new ATOM 1582 N ILE A 99 6.173 -28.036 -2.645 1.00 0.00 N ATOM 1583 CA ILE A 99 4.760 -27.860 -3.023 1.00 0.00 C ATOM 1584 C ILE A 99 3.973 -29.188 -2.971 1.00 0.00 C ATOM 1585 O ILE A 99 2.768 -29.196 -2.717 1.00 0.00 O ATOM 1586 CB ILE A 99 4.632 -27.257 -4.433 1.00 0.00 C ATOM 1587 CG1 ILE A 99 5.116 -25.805 -4.439 1.00 0.00 C ATOM 1588 CG2 ILE A 99 3.194 -27.343 -4.920 1.00 0.00 C ATOM 1589 CD1 ILE A 99 5.255 -25.214 -5.823 1.00 0.00 C ATOM 0 H ILE A 99 6.832 -27.808 -3.389 1.00 0.00 H new ATOM 0 HA ILE A 99 4.332 -27.174 -2.292 1.00 0.00 H new ATOM 0 HB ILE A 99 5.260 -27.832 -5.114 1.00 0.00 H new ATOM 0 HG12 ILE A 99 4.419 -25.197 -3.863 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.080 -25.751 -3.933 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.122 -26.912 -5.919 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.882 -28.387 -4.952 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.546 -26.792 -4.239 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.602 -24.184 -5.745 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.975 -25.797 -6.397 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.288 -25.234 -6.326 1.00 0.00 H new ATOM 1601 N GLY A 100 4.658 -30.308 -3.200 1.00 0.00 N ATOM 1602 CA GLY A 100 3.975 -31.599 -3.224 1.00 0.00 C ATOM 1603 C GLY A 100 4.864 -32.803 -2.895 1.00 0.00 C ATOM 1604 O GLY A 100 5.094 -33.121 -1.728 1.00 0.00 O ATOM 0 H GLY A 100 5.663 -30.348 -3.368 1.00 0.00 H new ATOM 0 HA2 GLY A 100 3.149 -31.570 -2.513 1.00 0.00 H new ATOM 0 HA3 GLY A 100 3.540 -31.746 -4.213 1.00 0.00 H new ATOM 1608 N GLU A 101 5.390 -33.448 -3.933 1.00 0.00 N ATOM 1609 CA GLU A 101 6.164 -34.688 -3.776 1.00 0.00 C ATOM 1610 C GLU A 101 7.654 -34.454 -3.485 1.00 0.00 C ATOM 1611 O GLU A 101 8.429 -34.100 -4.374 1.00 0.00 O ATOM 1612 CB GLU A 101 6.020 -35.550 -5.032 1.00 0.00 C ATOM 1613 CG GLU A 101 6.703 -36.908 -4.944 1.00 0.00 C ATOM 1614 CD GLU A 101 6.530 -37.690 -6.217 1.00 0.00 C ATOM 1615 OE1 GLU A 101 5.911 -37.185 -7.121 1.00 0.00 O ATOM 1616 OE2 GLU A 101 7.113 -38.743 -6.326 1.00 0.00 O ATOM 0 H GLU A 101 5.296 -33.135 -4.899 1.00 0.00 H new ATOM 0 HA GLU A 101 5.752 -35.198 -2.905 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.960 -35.702 -5.234 1.00 0.00 H new ATOM 0 HB3 GLU A 101 6.431 -35.004 -5.881 1.00 0.00 H new ATOM 0 HG2 GLU A 101 7.765 -36.771 -4.740 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.289 -37.472 -4.109 1.00 0.00 H new ATOM 1623 N ALA A 102 8.042 -34.649 -2.229 1.00 0.00 N ATOM 1624 CA ALA A 102 9.436 -34.485 -1.811 1.00 0.00 C ATOM 1625 C ALA A 102 9.941 -35.767 -1.122 1.00 0.00 C ATOM 1626 O ALA A 102 9.715 -35.979 0.068 1.00 0.00 O ATOM 1627 CB ALA A 102 9.573 -33.279 -0.891 1.00 0.00 C ATOM 0 H ALA A 102 7.409 -34.922 -1.477 1.00 0.00 H new ATOM 0 HA ALA A 102 10.051 -34.310 -2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.614 -33.169 -0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.252 -32.381 -1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.951 -33.423 -0.007 1.00 0.00 H new ATOM 1633 N PRO A 103 10.620 -36.655 -1.877 1.00 0.00 N ATOM 1634 CA PRO A 103 11.210 -37.896 -1.326 1.00 0.00 C ATOM 1635 C PRO A 103 12.405 -37.644 -0.385 1.00 0.00 C ATOM 1636 O PRO A 103 13.557 -37.859 -0.765 1.00 0.00 O ATOM 1637 CB PRO A 103 11.633 -38.677 -2.574 1.00 0.00 C ATOM 1638 CG PRO A 103 11.921 -37.626 -3.591 1.00 0.00 C ATOM 1639 CD PRO A 103 10.894 -36.551 -3.355 1.00 0.00 C ATOM 0 HA PRO A 103 10.499 -38.432 -0.698 1.00 0.00 H new ATOM 0 HB2 PRO A 103 12.512 -39.292 -2.379 1.00 0.00 H new ATOM 0 HB3 PRO A 103 10.842 -39.348 -2.909 1.00 0.00 H new ATOM 0 HG2 PRO A 103 12.932 -37.235 -3.477 1.00 0.00 H new ATOM 0 HG3 PRO A 103 11.846 -38.026 -4.602 1.00 0.00 H new ATOM 0 HD2 PRO A 103 11.273 -35.566 -3.626 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.993 -36.719 -3.944 1.00 0.00 H new ATOM 1647 N LEU A 104 12.125 -37.180 0.840 1.00 0.00 N ATOM 1648 CA LEU A 104 13.177 -36.829 1.817 1.00 0.00 C ATOM 1649 C LEU A 104 14.173 -35.804 1.216 1.00 0.00 C ATOM 1650 O LEU A 104 15.378 -35.852 1.469 1.00 0.00 O ATOM 1651 CB LEU A 104 13.917 -38.093 2.273 1.00 0.00 C ATOM 1652 CG LEU A 104 13.030 -39.181 2.893 1.00 0.00 C ATOM 1653 CD1 LEU A 104 13.871 -40.402 3.242 1.00 0.00 C ATOM 1654 CD2 LEU A 104 12.339 -38.630 4.130 1.00 0.00 C ATOM 0 H LEU A 104 11.175 -37.037 1.184 1.00 0.00 H new ATOM 0 HA LEU A 104 12.701 -36.368 2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 104 14.440 -38.518 1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.677 -37.807 3.001 1.00 0.00 H new ATOM 0 HG LEU A 104 12.269 -39.485 2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 104 13.234 -41.169 3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 104 14.338 -40.792 2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.644 -40.119 3.957 1.00 0.00 H new ATOM 0 HD21 LEU A 104 11.709 -39.403 4.570 1.00 0.00 H new ATOM 0 HD22 LEU A 104 13.089 -38.316 4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.723 -37.775 3.852 1.00 0.00 H new ATOM 1666 N GLU A 105 13.643 -34.851 0.452 1.00 0.00 N ATOM 1667 CA GLU A 105 14.460 -33.822 -0.193 1.00 0.00 C ATOM 1668 C GLU A 105 14.875 -32.726 0.800 1.00 0.00 C ATOM 1669 O GLU A 105 14.170 -31.731 0.988 1.00 0.00 O ATOM 1670 CB GLU A 105 13.703 -33.205 -1.371 1.00 0.00 C ATOM 1671 CG GLU A 105 13.440 -34.167 -2.522 1.00 0.00 C ATOM 1672 CD GLU A 105 14.697 -34.449 -3.297 1.00 0.00 C ATOM 1673 OE1 GLU A 105 15.718 -33.901 -2.956 1.00 0.00 O ATOM 1674 OE2 GLU A 105 14.664 -35.296 -4.158 1.00 0.00 O ATOM 0 H GLU A 105 12.644 -34.769 0.263 1.00 0.00 H new ATOM 0 HA GLU A 105 15.367 -34.301 -0.561 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.749 -32.818 -1.012 1.00 0.00 H new ATOM 0 HB3 GLU A 105 14.271 -32.354 -1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 105 13.033 -35.100 -2.133 1.00 0.00 H new ATOM 0 HG3 GLU A 105 12.687 -33.744 -3.187 1.00 0.00 H new ATOM 1681 N HIS A 106 16.018 -32.921 1.447 1.00 0.00 N ATOM 1682 CA HIS A 106 16.533 -31.947 2.406 1.00 0.00 C ATOM 1683 C HIS A 106 17.433 -30.926 1.696 1.00 0.00 C ATOM 1684 O HIS A 106 18.658 -30.981 1.812 1.00 0.00 O ATOM 1685 CB HIS A 106 17.304 -32.645 3.531 1.00 0.00 C ATOM 1686 CG HIS A 106 16.469 -33.595 4.333 1.00 0.00 C ATOM 1687 ND1 HIS A 106 15.466 -33.171 5.180 1.00 0.00 N ATOM 1688 CD2 HIS A 106 16.488 -34.946 4.419 1.00 0.00 C ATOM 1689 CE1 HIS A 106 14.904 -34.222 5.751 1.00 0.00 C ATOM 1690 NE2 HIS A 106 15.506 -35.309 5.306 1.00 0.00 N ATOM 0 H HIS A 106 16.607 -33.745 1.326 1.00 0.00 H new ATOM 0 HA HIS A 106 15.686 -31.422 2.848 1.00 0.00 H new ATOM 0 HB2 HIS A 106 18.145 -33.189 3.100 1.00 0.00 H new ATOM 0 HB3 HIS A 106 17.720 -31.890 4.197 1.00 0.00 H new ATOM 0 HD2 HIS A 106 17.152 -35.613 3.889 1.00 0.00 H new ATOM 0 HE1 HIS A 106 14.091 -34.196 6.461 1.00 0.00 H new ATOM 0 HE2 HIS A 106 15.278 -36.265 5.578 1.00 0.00 H new ATOM 1695 N HIS A 107 16.819 -30.014 0.944 1.00 0.00 N ATOM 1696 CA HIS A 107 17.570 -29.020 0.163 1.00 0.00 C ATOM 1697 C HIS A 107 18.273 -27.999 1.071 1.00 0.00 C ATOM 1698 O HIS A 107 17.824 -27.740 2.190 1.00 0.00 O ATOM 1699 CB HIS A 107 16.643 -28.294 -0.817 1.00 0.00 C ATOM 1700 CG HIS A 107 16.112 -29.173 -1.908 1.00 0.00 C ATOM 1701 ND1 HIS A 107 14.984 -28.857 -2.633 1.00 0.00 N ATOM 1702 CD2 HIS A 107 16.555 -30.356 -2.394 1.00 0.00 C ATOM 1703 CE1 HIS A 107 14.755 -29.810 -3.521 1.00 0.00 C ATOM 1704 NE2 HIS A 107 15.694 -30.729 -3.396 1.00 0.00 N ATOM 0 H HIS A 107 15.806 -29.939 0.856 1.00 0.00 H new ATOM 0 HA HIS A 107 18.335 -29.557 -0.398 1.00 0.00 H new ATOM 0 HB2 HIS A 107 15.805 -27.870 -0.264 1.00 0.00 H new ATOM 0 HB3 HIS A 107 17.184 -27.460 -1.265 1.00 0.00 H new ATOM 0 HD1 HIS A 107 14.415 -28.020 -2.505 1.00 0.00 H new ATOM 0 HD2 HIS A 107 17.423 -30.904 -2.057 1.00 0.00 H new ATOM 0 HE1 HIS A 107 13.939 -29.832 -4.228 1.00 0.00 H new