USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 848 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: B 49 THR OG1 : rot -25:sc= 0.67 USER MOD Set 1.2: B 51 THR OG1 : rot 55:sc= 1.19 USER MOD Set 2.1: B 8 ASN : amide:sc= 0.741 K(o=0.74,f=-0.93) USER MOD Set 2.2: B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.3: B 55 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 8 ASN : amide:sc= 0.821 K(o=0.82,f=0) USER MOD Set 3.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 4 LYS NZ :NH3+ -174:sc= 0.433 (180deg=0) USER MOD Set 4.2: A 17 THR OG1 : rot 180:sc= 0.397 USER MOD Set 5.1: A 1 MET CE :methyl 172:sc= 0 (180deg=-0.0806) USER MOD Set 5.2: A 3 TYR OH : rot 165:sc= 0 USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.26 (180deg=0.987) USER MOD Single : A 2 GLN : amide:sc= -0.0266 X(o=-0.027,f=0) USER MOD Single : A 10 LYS NZ :NH3+ -169:sc= 1.23 (180deg=1.15) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00992 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -170:sc= -0.0608 USER MOD Single : A 18 THR OG1 : rot 40:sc= 1.28 USER MOD Single : A 25 THR OG1 : rot 92:sc= 1.2 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 166:sc= 1.13 (180deg=0.946) USER MOD Single : A 32 GLN : amide:sc= 0.194 X(o=0.19,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.273 K(o=0.27,f=-5.9!) USER MOD Single : A 37 ASN : amide:sc=-0.00142 K(o=-0.0014,f=-4.6!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -164:sc= 1.23 USER MOD Single : A 49 THR OG1 : rot -42:sc= 0.061 USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= 1.2 (180deg=1.06) USER MOD Single : A 51 THR OG1 : rot 64:sc= 0.461 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -165:sc= -0.0119 (180deg=-0.475) USER MOD Single : B 1 MET N :NH3+ -123:sc= 0.371 (180deg=0) USER MOD Single : B 2 GLN : amide:sc= 0.825 K(o=0.83,f=0) USER MOD Single : B 3 TYR OH : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 163:sc= 0.917 (180deg=0.685) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= -0.0248 USER MOD Single : B 17 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot 32:sc= 1.23 USER MOD Single : B 25 THR OG1 : rot -130:sc=-0.00212 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 165:sc= 1.17 (180deg=0.953) USER MOD Single : B 32 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.23) USER MOD Single : B 33 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.76 K(o=0.76,f=0) USER MOD Single : B 37 ASN : amide:sc= 0.873 K(o=0.87,f=-0.18) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 TYR OH : rot -155:sc= 1.21 USER MOD Single : B 50 LYS NZ :NH3+ -173:sc= 0.533 (180deg=0.477) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.012 8.964 -17.136 1.00 0.00 N ATOM 2 CA MET A 1 -5.150 8.093 -16.745 1.00 0.00 C ATOM 3 C MET A 1 -4.979 7.580 -15.322 1.00 0.00 C ATOM 4 O MET A 1 -3.855 7.420 -14.846 1.00 0.00 O ATOM 5 CB MET A 1 -5.335 6.895 -17.699 1.00 0.00 C ATOM 6 CG MET A 1 -6.098 7.267 -18.974 1.00 0.00 C ATOM 7 SD MET A 1 -5.236 8.345 -20.160 1.00 0.00 S ATOM 8 CE MET A 1 -3.947 7.214 -20.756 1.00 0.00 C ATOM 0 H1 MET A 1 -4.003 9.080 -18.169 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.116 9.895 -16.684 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.119 8.528 -16.829 1.00 0.00 H new ATOM 0 HA MET A 1 -6.044 8.714 -16.808 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.357 6.496 -17.969 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.870 6.101 -17.179 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.370 6.345 -19.488 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.028 7.756 -18.683 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.419 7.672 -21.592 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.242 7.009 -19.950 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.405 6.281 -21.084 1.00 0.00 H new ATOM 20 N GLN A 2 -6.099 7.317 -14.644 1.00 0.00 N ATOM 21 CA GLN A 2 -6.122 6.619 -13.346 1.00 0.00 C ATOM 22 C GLN A 2 -5.824 5.116 -13.533 1.00 0.00 C ATOM 23 O GLN A 2 -6.411 4.466 -14.403 1.00 0.00 O ATOM 24 CB GLN A 2 -7.495 6.797 -12.669 1.00 0.00 C ATOM 25 CG GLN A 2 -7.464 6.501 -11.159 1.00 0.00 C ATOM 26 CD GLN A 2 -7.145 7.737 -10.347 1.00 0.00 C ATOM 27 OE1 GLN A 2 -8.030 8.473 -9.928 1.00 0.00 O ATOM 28 NE2 GLN A 2 -5.884 8.001 -10.096 1.00 0.00 N ATOM 0 H GLN A 2 -7.025 7.583 -14.979 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.351 7.054 -12.710 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.842 7.818 -12.826 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.218 6.137 -13.148 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.429 6.102 -10.848 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.720 5.731 -10.955 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.153 7.383 -10.449 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.635 8.824 -9.548 1.00 0.00 H new ATOM 37 N TYR A 3 -4.923 4.566 -12.721 1.00 0.00 N ATOM 38 CA TYR A 3 -4.649 3.128 -12.597 1.00 0.00 C ATOM 39 C TYR A 3 -4.784 2.660 -11.139 1.00 0.00 C ATOM 40 O TYR A 3 -4.580 3.453 -10.216 1.00 0.00 O ATOM 41 CB TYR A 3 -3.259 2.831 -13.171 1.00 0.00 C ATOM 42 CG TYR A 3 -3.160 3.085 -14.665 1.00 0.00 C ATOM 43 CD1 TYR A 3 -3.580 2.095 -15.574 1.00 0.00 C ATOM 44 CD2 TYR A 3 -2.693 4.323 -15.151 1.00 0.00 C ATOM 45 CE1 TYR A 3 -3.556 2.349 -16.957 1.00 0.00 C ATOM 46 CE2 TYR A 3 -2.650 4.569 -16.535 1.00 0.00 C ATOM 47 CZ TYR A 3 -3.096 3.588 -17.436 1.00 0.00 C ATOM 48 OH TYR A 3 -3.077 3.839 -18.774 1.00 0.00 O ATOM 0 H TYR A 3 -4.338 5.130 -12.104 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.388 2.567 -13.169 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.521 3.446 -12.655 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -3.004 1.791 -12.969 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.922 1.138 -15.208 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -2.367 5.085 -14.458 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -3.891 1.592 -17.651 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -2.274 5.512 -16.905 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.961 4.800 -18.925 1.00 0.00 H new ATOM 58 N LYS A 4 -5.059 1.374 -10.919 1.00 0.00 N ATOM 59 CA LYS A 4 -5.330 0.804 -9.589 1.00 0.00 C ATOM 60 C LYS A 4 -4.550 -0.501 -9.315 1.00 0.00 C ATOM 61 O LYS A 4 -4.167 -1.207 -10.242 1.00 0.00 O ATOM 62 CB LYS A 4 -6.851 0.621 -9.450 1.00 0.00 C ATOM 63 CG LYS A 4 -7.307 0.579 -7.985 1.00 0.00 C ATOM 64 CD LYS A 4 -8.833 0.464 -7.889 1.00 0.00 C ATOM 65 CE LYS A 4 -9.311 0.551 -6.434 1.00 0.00 C ATOM 66 NZ LYS A 4 -9.269 1.934 -5.911 1.00 0.00 N ATOM 0 H LYS A 4 -5.102 0.684 -11.669 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.971 1.495 -8.827 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.360 1.437 -9.962 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.149 -0.302 -9.947 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.842 -0.268 -7.480 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.973 1.480 -7.470 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.297 1.258 -8.474 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.156 -0.482 -8.324 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.330 0.170 -6.365 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.688 -0.090 -5.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.503 1.929 -4.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.315 2.327 -6.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.959 2.520 -6.423 1.00 0.00 H new ATOM 80 N LEU A 5 -4.314 -0.824 -8.044 1.00 0.00 N ATOM 81 CA LEU A 5 -3.493 -1.937 -7.544 1.00 0.00 C ATOM 82 C LEU A 5 -4.237 -2.671 -6.412 1.00 0.00 C ATOM 83 O LEU A 5 -4.705 -2.042 -5.462 1.00 0.00 O ATOM 84 CB LEU A 5 -2.159 -1.323 -7.062 1.00 0.00 C ATOM 85 CG LEU A 5 -0.991 -2.211 -6.593 1.00 0.00 C ATOM 86 CD1 LEU A 5 -1.217 -2.886 -5.242 1.00 0.00 C ATOM 87 CD2 LEU A 5 -0.611 -3.262 -7.630 1.00 0.00 C ATOM 0 H LEU A 5 -4.717 -0.281 -7.281 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.298 -2.679 -8.318 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.781 -0.705 -7.877 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.398 -0.651 -6.237 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.164 -1.512 -6.467 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.347 -3.492 -4.988 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.366 -2.125 -4.476 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.099 -3.524 -5.297 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.217 -3.863 -7.253 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.468 -3.907 -7.825 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.310 -2.769 -8.554 1.00 0.00 H new ATOM 99 N ILE A 6 -4.320 -3.998 -6.501 1.00 0.00 N ATOM 100 CA ILE A 6 -4.873 -4.903 -5.480 1.00 0.00 C ATOM 101 C ILE A 6 -3.727 -5.723 -4.877 1.00 0.00 C ATOM 102 O ILE A 6 -2.921 -6.306 -5.608 1.00 0.00 O ATOM 103 CB ILE A 6 -5.954 -5.832 -6.092 1.00 0.00 C ATOM 104 CG1 ILE A 6 -7.085 -5.000 -6.741 1.00 0.00 C ATOM 105 CG2 ILE A 6 -6.503 -6.798 -5.017 1.00 0.00 C ATOM 106 CD1 ILE A 6 -8.143 -5.825 -7.482 1.00 0.00 C ATOM 0 H ILE A 6 -3.989 -4.501 -7.325 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.354 -4.317 -4.696 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.497 -6.433 -6.878 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.578 -4.415 -5.965 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.641 -4.292 -7.440 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.261 -7.444 -5.461 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.689 -7.409 -4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.947 -6.223 -4.204 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.895 -5.158 -7.904 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.668 -6.390 -8.284 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.620 -6.515 -6.786 1.00 0.00 H new ATOM 118 N LEU A 7 -3.662 -5.764 -3.548 1.00 0.00 N ATOM 119 CA LEU A 7 -2.636 -6.450 -2.766 1.00 0.00 C ATOM 120 C LEU A 7 -3.209 -7.639 -1.970 1.00 0.00 C ATOM 121 O LEU A 7 -4.063 -7.488 -1.092 1.00 0.00 O ATOM 122 CB LEU A 7 -1.871 -5.441 -1.898 1.00 0.00 C ATOM 123 CG LEU A 7 -0.721 -6.082 -1.099 1.00 0.00 C ATOM 124 CD1 LEU A 7 0.345 -6.734 -1.979 1.00 0.00 C ATOM 125 CD2 LEU A 7 -0.038 -5.015 -0.261 1.00 0.00 C ATOM 0 H LEU A 7 -4.354 -5.299 -2.961 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.915 -6.895 -3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.468 -4.654 -2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.566 -4.966 -1.206 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.173 -6.863 -0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.123 -7.165 -1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.111 -7.520 -2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.784 -5.983 -2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.777 -5.464 0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.360 -4.239 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.760 -4.575 0.427 1.00 0.00 H new ATOM 137 N ASN A 8 -2.669 -8.809 -2.292 1.00 0.00 N ATOM 138 CA ASN A 8 -2.896 -10.066 -1.595 1.00 0.00 C ATOM 139 C ASN A 8 -1.576 -10.589 -0.992 1.00 0.00 C ATOM 140 O ASN A 8 -0.536 -10.624 -1.654 1.00 0.00 O ATOM 141 CB ASN A 8 -3.534 -11.090 -2.543 1.00 0.00 C ATOM 142 CG ASN A 8 -4.641 -10.557 -3.432 1.00 0.00 C ATOM 143 OD1 ASN A 8 -5.825 -10.628 -3.123 1.00 0.00 O ATOM 144 ND2 ASN A 8 -4.259 -10.056 -4.584 1.00 0.00 N ATOM 0 H ASN A 8 -2.032 -8.910 -3.082 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.591 -9.900 -0.772 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.752 -11.508 -3.177 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.934 -11.911 -1.947 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.954 -9.714 -5.247 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.267 -10.009 -4.816 1.00 0.00 H new ATOM 151 N GLY A 9 -1.626 -11.002 0.270 1.00 0.00 N ATOM 152 CA GLY A 9 -0.471 -11.484 1.039 1.00 0.00 C ATOM 153 C GLY A 9 -0.814 -12.145 2.381 1.00 0.00 C ATOM 154 O GLY A 9 -1.978 -12.189 2.791 1.00 0.00 O ATOM 0 H GLY A 9 -2.493 -11.013 0.807 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.079 -12.200 0.429 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.198 -10.644 1.226 1.00 0.00 H new ATOM 158 N LYS A 10 0.201 -12.688 3.056 1.00 0.00 N ATOM 159 CA LYS A 10 0.062 -13.494 4.280 1.00 0.00 C ATOM 160 C LYS A 10 0.079 -12.652 5.575 1.00 0.00 C ATOM 161 O LYS A 10 -0.680 -12.923 6.508 1.00 0.00 O ATOM 162 CB LYS A 10 1.181 -14.551 4.334 1.00 0.00 C ATOM 163 CG LYS A 10 1.167 -15.512 3.130 1.00 0.00 C ATOM 164 CD LYS A 10 2.011 -16.778 3.365 1.00 0.00 C ATOM 165 CE LYS A 10 3.493 -16.530 3.685 1.00 0.00 C ATOM 166 NZ LYS A 10 4.265 -16.071 2.513 1.00 0.00 N ATOM 0 H LYS A 10 1.171 -12.579 2.762 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.916 -13.972 4.231 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.146 -14.047 4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.082 -15.129 5.253 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.139 -15.802 2.915 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.542 -14.989 2.250 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.569 -17.342 4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.949 -17.406 2.476 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.569 -15.786 4.478 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.936 -17.450 4.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.281 -16.099 2.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.070 -16.694 1.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.989 -15.097 2.275 1.00 0.00 H new ATOM 180 N THR A 11 0.910 -11.608 5.623 1.00 0.00 N ATOM 181 CA THR A 11 1.040 -10.665 6.758 1.00 0.00 C ATOM 182 C THR A 11 0.301 -9.335 6.548 1.00 0.00 C ATOM 183 O THR A 11 0.022 -8.609 7.504 1.00 0.00 O ATOM 184 CB THR A 11 2.516 -10.284 6.973 1.00 0.00 C ATOM 185 OG1 THR A 11 3.156 -9.983 5.750 1.00 0.00 O ATOM 186 CG2 THR A 11 3.319 -11.387 7.657 1.00 0.00 C ATOM 0 H THR A 11 1.536 -11.380 4.851 1.00 0.00 H new ATOM 0 HA THR A 11 0.607 -11.195 7.606 1.00 0.00 H new ATOM 0 HB THR A 11 2.492 -9.406 7.619 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.091 -9.743 5.920 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.352 -11.061 7.782 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.885 -11.600 8.634 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.294 -12.288 7.044 1.00 0.00 H new ATOM 194 N LEU A 12 0.000 -9.003 5.293 1.00 0.00 N ATOM 195 CA LEU A 12 -0.630 -7.746 4.876 1.00 0.00 C ATOM 196 C LEU A 12 -1.458 -7.910 3.582 1.00 0.00 C ATOM 197 O LEU A 12 -1.084 -8.664 2.682 1.00 0.00 O ATOM 198 CB LEU A 12 0.486 -6.682 4.787 1.00 0.00 C ATOM 199 CG LEU A 12 0.009 -5.231 4.582 1.00 0.00 C ATOM 200 CD1 LEU A 12 0.948 -4.249 5.281 1.00 0.00 C ATOM 201 CD2 LEU A 12 -0.006 -4.855 3.105 1.00 0.00 C ATOM 0 H LEU A 12 0.195 -9.624 4.508 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.368 -7.417 5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.078 -6.725 5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.151 -6.947 3.964 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.997 -5.174 4.998 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.593 -3.231 5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.970 -4.464 6.349 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.952 -4.350 4.870 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.347 -3.826 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.000 -4.950 2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.681 -5.520 2.567 1.00 0.00 H new ATOM 213 N LYS A 13 -2.571 -7.183 3.484 1.00 0.00 N ATOM 214 CA LYS A 13 -3.469 -7.103 2.318 1.00 0.00 C ATOM 215 C LYS A 13 -3.957 -5.651 2.131 1.00 0.00 C ATOM 216 O LYS A 13 -3.929 -4.872 3.084 1.00 0.00 O ATOM 217 CB LYS A 13 -4.684 -8.029 2.526 1.00 0.00 C ATOM 218 CG LYS A 13 -4.317 -9.515 2.675 1.00 0.00 C ATOM 219 CD LYS A 13 -5.572 -10.385 2.844 1.00 0.00 C ATOM 220 CE LYS A 13 -5.173 -11.853 3.046 1.00 0.00 C ATOM 221 NZ LYS A 13 -6.351 -12.719 3.261 1.00 0.00 N ATOM 0 H LYS A 13 -2.894 -6.599 4.256 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.922 -7.419 1.429 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.225 -7.708 3.416 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.364 -7.916 1.681 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.759 -9.844 1.798 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.662 -9.646 3.537 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.153 -10.037 3.698 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.210 -10.291 1.965 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.620 -12.202 2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.503 -11.933 3.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.039 -13.702 3.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.865 -12.402 4.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.979 -12.663 2.434 1.00 0.00 H new ATOM 235 N GLY A 14 -4.419 -5.257 0.941 1.00 0.00 N ATOM 236 CA GLY A 14 -4.862 -3.873 0.695 1.00 0.00 C ATOM 237 C GLY A 14 -5.189 -3.512 -0.758 1.00 0.00 C ATOM 238 O GLY A 14 -5.247 -4.377 -1.633 1.00 0.00 O ATOM 0 H GLY A 14 -4.498 -5.872 0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.748 -3.684 1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.084 -3.197 1.048 1.00 0.00 H new ATOM 242 N GLU A 15 -5.385 -2.212 -1.008 1.00 0.00 N ATOM 243 CA GLU A 15 -5.579 -1.597 -2.342 1.00 0.00 C ATOM 244 C GLU A 15 -4.977 -0.192 -2.423 1.00 0.00 C ATOM 245 O GLU A 15 -5.012 0.566 -1.453 1.00 0.00 O ATOM 246 CB GLU A 15 -7.069 -1.468 -2.708 1.00 0.00 C ATOM 247 CG GLU A 15 -7.776 -2.805 -2.919 1.00 0.00 C ATOM 248 CD GLU A 15 -9.225 -2.567 -3.318 1.00 0.00 C ATOM 249 OE1 GLU A 15 -9.476 -2.255 -4.504 1.00 0.00 O ATOM 250 OE2 GLU A 15 -10.111 -2.698 -2.443 1.00 0.00 O ATOM 0 H GLU A 15 -5.415 -1.522 -0.257 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.073 -2.266 -3.038 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.580 -0.919 -1.917 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.159 -0.874 -3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.266 -3.378 -3.693 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.734 -3.397 -2.005 1.00 0.00 H new ATOM 257 N THR A 16 -4.475 0.169 -3.602 1.00 0.00 N ATOM 258 CA THR A 16 -3.951 1.518 -3.909 1.00 0.00 C ATOM 259 C THR A 16 -4.306 2.008 -5.324 1.00 0.00 C ATOM 260 O THR A 16 -4.683 1.226 -6.196 1.00 0.00 O ATOM 261 CB THR A 16 -2.425 1.658 -3.672 1.00 0.00 C ATOM 262 OG1 THR A 16 -1.660 1.217 -4.763 1.00 0.00 O ATOM 263 CG2 THR A 16 -1.867 0.920 -2.453 1.00 0.00 C ATOM 0 H THR A 16 -4.415 -0.473 -4.392 1.00 0.00 H new ATOM 0 HA THR A 16 -4.462 2.162 -3.193 1.00 0.00 H new ATOM 0 HB THR A 16 -2.335 2.732 -3.510 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.715 1.178 -4.506 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.792 1.088 -2.386 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.350 1.293 -1.550 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.061 -0.148 -2.554 1.00 0.00 H new ATOM 271 N THR A 17 -4.223 3.318 -5.549 1.00 0.00 N ATOM 272 CA THR A 17 -4.594 3.994 -6.808 1.00 0.00 C ATOM 273 C THR A 17 -3.613 5.136 -7.121 1.00 0.00 C ATOM 274 O THR A 17 -3.140 5.821 -6.207 1.00 0.00 O ATOM 275 CB THR A 17 -6.032 4.570 -6.739 1.00 0.00 C ATOM 276 OG1 THR A 17 -6.904 3.795 -5.934 1.00 0.00 O ATOM 277 CG2 THR A 17 -6.692 4.687 -8.109 1.00 0.00 C ATOM 0 H THR A 17 -3.885 3.968 -4.840 1.00 0.00 H new ATOM 0 HA THR A 17 -4.551 3.246 -7.599 1.00 0.00 H new ATOM 0 HB THR A 17 -5.891 5.557 -6.299 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.794 4.206 -5.926 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.696 5.096 -7.995 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.100 5.348 -8.743 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.752 3.701 -8.569 1.00 0.00 H new ATOM 285 N THR A 18 -3.295 5.371 -8.397 1.00 0.00 N ATOM 286 CA THR A 18 -2.353 6.404 -8.870 1.00 0.00 C ATOM 287 C THR A 18 -2.818 6.961 -10.229 1.00 0.00 C ATOM 288 O THR A 18 -3.609 6.322 -10.928 1.00 0.00 O ATOM 289 CB THR A 18 -0.935 5.796 -9.021 1.00 0.00 C ATOM 290 OG1 THR A 18 0.052 6.774 -9.256 1.00 0.00 O ATOM 291 CG2 THR A 18 -0.804 4.795 -10.177 1.00 0.00 C ATOM 0 H THR A 18 -3.698 4.830 -9.162 1.00 0.00 H new ATOM 0 HA THR A 18 -2.325 7.213 -8.140 1.00 0.00 H new ATOM 0 HB THR A 18 -0.785 5.292 -8.066 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.128 7.560 -8.699 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.217 4.415 -10.216 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.494 3.966 -10.020 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.042 5.292 -11.117 1.00 0.00 H new ATOM 299 N GLU A 19 -2.354 8.150 -10.614 1.00 0.00 N ATOM 300 CA GLU A 19 -2.547 8.751 -11.953 1.00 0.00 C ATOM 301 C GLU A 19 -1.204 8.875 -12.665 1.00 0.00 C ATOM 302 O GLU A 19 -0.279 9.500 -12.143 1.00 0.00 O ATOM 303 CB GLU A 19 -3.268 10.104 -11.860 1.00 0.00 C ATOM 304 CG GLU A 19 -3.569 10.696 -13.235 1.00 0.00 C ATOM 305 CD GLU A 19 -4.422 11.947 -13.086 1.00 0.00 C ATOM 306 OE1 GLU A 19 -3.862 13.015 -12.752 1.00 0.00 O ATOM 307 OE2 GLU A 19 -5.648 11.860 -13.321 1.00 0.00 O ATOM 0 H GLU A 19 -1.814 8.749 -9.989 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.187 8.094 -12.542 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.200 9.979 -11.309 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.653 10.803 -11.293 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.638 10.939 -13.747 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.089 9.962 -13.850 1.00 0.00 H new ATOM 314 N ALA A 20 -1.079 8.233 -13.826 1.00 0.00 N ATOM 315 CA ALA A 20 0.149 8.109 -14.597 1.00 0.00 C ATOM 316 C ALA A 20 -0.107 8.345 -16.097 1.00 0.00 C ATOM 317 O ALA A 20 -1.250 8.300 -16.567 1.00 0.00 O ATOM 318 CB ALA A 20 0.718 6.713 -14.346 1.00 0.00 C ATOM 0 H ALA A 20 -1.869 7.766 -14.271 1.00 0.00 H new ATOM 0 HA ALA A 20 0.866 8.868 -14.282 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.641 6.589 -14.912 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.925 6.590 -13.283 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.006 5.963 -14.664 1.00 0.00 H new ATOM 324 N VAL A 21 0.968 8.579 -16.848 1.00 0.00 N ATOM 325 CA VAL A 21 0.865 8.823 -18.306 1.00 0.00 C ATOM 326 C VAL A 21 0.348 7.579 -19.048 1.00 0.00 C ATOM 327 O VAL A 21 -0.500 7.700 -19.937 1.00 0.00 O ATOM 328 CB VAL A 21 2.170 9.375 -18.905 1.00 0.00 C ATOM 329 CG1 VAL A 21 3.355 8.466 -18.601 1.00 0.00 C ATOM 330 CG2 VAL A 21 2.082 9.605 -20.418 1.00 0.00 C ATOM 0 H VAL A 21 1.920 8.607 -16.484 1.00 0.00 H new ATOM 0 HA VAL A 21 0.122 9.608 -18.449 1.00 0.00 H new ATOM 0 HB VAL A 21 2.324 10.342 -18.427 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.259 8.888 -19.040 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.481 8.381 -17.522 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.174 7.478 -19.024 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.032 9.995 -20.783 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.861 8.662 -20.917 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.290 10.323 -20.631 1.00 0.00 H new ATOM 340 N ASP A 22 0.773 6.378 -18.633 1.00 0.00 N ATOM 341 CA ASP A 22 0.338 5.077 -19.155 1.00 0.00 C ATOM 342 C ASP A 22 0.478 3.956 -18.106 1.00 0.00 C ATOM 343 O ASP A 22 1.074 4.136 -17.038 1.00 0.00 O ATOM 344 CB ASP A 22 1.177 4.742 -20.413 1.00 0.00 C ATOM 345 CG ASP A 22 2.716 4.741 -20.222 1.00 0.00 C ATOM 346 OD1 ASP A 22 3.203 4.604 -19.073 1.00 0.00 O ATOM 347 OD2 ASP A 22 3.439 4.875 -21.237 1.00 0.00 O ATOM 0 H ASP A 22 1.463 6.284 -17.888 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.720 5.142 -19.410 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.875 3.760 -20.776 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.928 5.461 -21.194 1.00 0.00 H new ATOM 352 N ALA A 23 -0.059 2.783 -18.440 1.00 0.00 N ATOM 353 CA ALA A 23 -0.032 1.584 -17.599 1.00 0.00 C ATOM 354 C ALA A 23 1.390 1.157 -17.188 1.00 0.00 C ATOM 355 O ALA A 23 1.570 0.597 -16.114 1.00 0.00 O ATOM 356 CB ALA A 23 -0.746 0.439 -18.328 1.00 0.00 C ATOM 0 H ALA A 23 -0.539 2.635 -19.328 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.552 1.827 -16.672 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.728 -0.456 -17.706 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.780 0.723 -18.527 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.238 0.235 -19.271 1.00 0.00 H new ATOM 362 N ALA A 24 2.410 1.446 -17.998 1.00 0.00 N ATOM 363 CA ALA A 24 3.800 1.121 -17.722 1.00 0.00 C ATOM 364 C ALA A 24 4.399 2.074 -16.676 1.00 0.00 C ATOM 365 O ALA A 24 5.148 1.640 -15.805 1.00 0.00 O ATOM 366 CB ALA A 24 4.594 1.154 -19.033 1.00 0.00 C ATOM 0 H ALA A 24 2.282 1.927 -18.889 1.00 0.00 H new ATOM 0 HA ALA A 24 3.856 0.118 -17.300 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.638 0.911 -18.833 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.179 0.425 -19.728 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.531 2.150 -19.471 1.00 0.00 H new ATOM 372 N THR A 25 4.027 3.355 -16.681 1.00 0.00 N ATOM 373 CA THR A 25 4.369 4.318 -15.625 1.00 0.00 C ATOM 374 C THR A 25 3.630 4.014 -14.317 1.00 0.00 C ATOM 375 O THR A 25 4.261 3.956 -13.262 1.00 0.00 O ATOM 376 CB THR A 25 4.085 5.750 -16.091 1.00 0.00 C ATOM 377 OG1 THR A 25 4.723 5.979 -17.329 1.00 0.00 O ATOM 378 CG2 THR A 25 4.600 6.800 -15.103 1.00 0.00 C ATOM 0 H THR A 25 3.469 3.763 -17.431 1.00 0.00 H new ATOM 0 HA THR A 25 5.436 4.222 -15.424 1.00 0.00 H new ATOM 0 HB THR A 25 3.002 5.846 -16.171 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.105 5.767 -18.060 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.373 7.797 -15.481 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.115 6.659 -14.137 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.678 6.692 -14.987 1.00 0.00 H new ATOM 386 N ALA A 26 2.328 3.709 -14.350 1.00 0.00 N ATOM 387 CA ALA A 26 1.608 3.247 -13.152 1.00 0.00 C ATOM 388 C ALA A 26 2.146 1.913 -12.588 1.00 0.00 C ATOM 389 O ALA A 26 2.288 1.768 -11.375 1.00 0.00 O ATOM 390 CB ALA A 26 0.125 3.113 -13.471 1.00 0.00 C ATOM 0 H ALA A 26 1.751 3.772 -15.189 1.00 0.00 H new ATOM 0 HA ALA A 26 1.769 3.997 -12.378 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.408 2.771 -12.584 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.269 4.081 -13.781 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.010 2.391 -14.277 1.00 0.00 H new ATOM 396 N GLU A 27 2.544 1.000 -13.484 1.00 0.00 N ATOM 397 CA GLU A 27 3.275 -0.236 -13.126 1.00 0.00 C ATOM 398 C GLU A 27 4.619 0.097 -12.492 1.00 0.00 C ATOM 399 O GLU A 27 4.990 -0.526 -11.504 1.00 0.00 O ATOM 400 CB GLU A 27 3.496 -1.202 -14.305 1.00 0.00 C ATOM 401 CG GLU A 27 3.953 -2.588 -13.838 1.00 0.00 C ATOM 402 CD GLU A 27 4.412 -3.434 -15.018 1.00 0.00 C ATOM 403 OE1 GLU A 27 3.560 -3.871 -15.820 1.00 0.00 O ATOM 404 OE2 GLU A 27 5.635 -3.686 -15.110 1.00 0.00 O ATOM 0 H GLU A 27 2.370 1.093 -14.485 1.00 0.00 H new ATOM 0 HA GLU A 27 2.632 -0.751 -12.412 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.570 -1.298 -14.872 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.242 -0.784 -14.981 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.767 -2.484 -13.121 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.135 -3.090 -13.321 1.00 0.00 H new ATOM 411 N LYS A 28 5.332 1.112 -12.984 1.00 0.00 N ATOM 412 CA LYS A 28 6.595 1.557 -12.369 1.00 0.00 C ATOM 413 C LYS A 28 6.398 2.205 -10.981 1.00 0.00 C ATOM 414 O LYS A 28 7.145 1.885 -10.054 1.00 0.00 O ATOM 415 CB LYS A 28 7.311 2.490 -13.363 1.00 0.00 C ATOM 416 CG LYS A 28 8.747 2.864 -12.964 1.00 0.00 C ATOM 417 CD LYS A 28 9.361 3.766 -14.050 1.00 0.00 C ATOM 418 CE LYS A 28 10.757 4.291 -13.685 1.00 0.00 C ATOM 419 NZ LYS A 28 11.787 3.231 -13.699 1.00 0.00 N ATOM 0 H LYS A 28 5.059 1.646 -13.809 1.00 0.00 H new ATOM 0 HA LYS A 28 7.220 0.686 -12.171 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.332 2.010 -14.341 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.727 3.404 -13.469 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.747 3.381 -12.004 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.348 1.963 -12.841 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.423 3.208 -14.984 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.697 4.612 -14.228 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.040 5.076 -14.386 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.722 4.745 -12.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.709 3.640 -13.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.535 2.493 -13.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.843 2.814 -14.650 1.00 0.00 H new ATOM 433 N VAL A 29 5.400 3.074 -10.770 1.00 0.00 N ATOM 434 CA VAL A 29 5.056 3.611 -9.428 1.00 0.00 C ATOM 435 C VAL A 29 4.652 2.489 -8.464 1.00 0.00 C ATOM 436 O VAL A 29 5.209 2.372 -7.372 1.00 0.00 O ATOM 437 CB VAL A 29 3.929 4.667 -9.521 1.00 0.00 C ATOM 438 CG1 VAL A 29 3.478 5.183 -8.148 1.00 0.00 C ATOM 439 CG2 VAL A 29 4.386 5.893 -10.323 1.00 0.00 C ATOM 0 H VAL A 29 4.804 3.430 -11.517 1.00 0.00 H new ATOM 0 HA VAL A 29 5.950 4.094 -9.034 1.00 0.00 H new ATOM 0 HB VAL A 29 3.100 4.155 -10.010 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.686 5.921 -8.279 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.104 4.351 -7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.323 5.645 -7.637 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.574 6.619 -10.372 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.249 6.346 -9.835 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.660 5.586 -11.332 1.00 0.00 H new ATOM 449 N PHE A 30 3.741 1.609 -8.880 1.00 0.00 N ATOM 450 CA PHE A 30 3.350 0.461 -8.061 1.00 0.00 C ATOM 451 C PHE A 30 4.532 -0.477 -7.739 1.00 0.00 C ATOM 452 O PHE A 30 4.701 -0.885 -6.588 1.00 0.00 O ATOM 453 CB PHE A 30 2.218 -0.325 -8.733 1.00 0.00 C ATOM 454 CG PHE A 30 0.880 0.392 -8.877 1.00 0.00 C ATOM 455 CD1 PHE A 30 0.372 1.199 -7.837 1.00 0.00 C ATOM 456 CD2 PHE A 30 0.119 0.227 -10.052 1.00 0.00 C ATOM 457 CE1 PHE A 30 -0.872 1.841 -7.975 1.00 0.00 C ATOM 458 CE2 PHE A 30 -1.129 0.860 -10.187 1.00 0.00 C ATOM 459 CZ PHE A 30 -1.627 1.660 -9.145 1.00 0.00 C ATOM 0 H PHE A 30 3.261 1.669 -9.778 1.00 0.00 H new ATOM 0 HA PHE A 30 2.996 0.865 -7.113 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.553 -0.623 -9.726 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.054 -1.240 -8.164 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.942 1.325 -6.929 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.497 -0.390 -10.854 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.246 2.472 -7.182 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.705 0.731 -11.092 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.591 2.136 -9.244 1.00 0.00 H new ATOM 469 N LYS A 31 5.400 -0.761 -8.713 1.00 0.00 N ATOM 470 CA LYS A 31 6.613 -1.547 -8.464 1.00 0.00 C ATOM 471 C LYS A 31 7.612 -0.823 -7.551 1.00 0.00 C ATOM 472 O LYS A 31 8.352 -1.489 -6.834 1.00 0.00 O ATOM 473 CB LYS A 31 7.291 -1.991 -9.769 1.00 0.00 C ATOM 474 CG LYS A 31 6.567 -3.216 -10.348 1.00 0.00 C ATOM 475 CD LYS A 31 7.209 -3.691 -11.655 1.00 0.00 C ATOM 476 CE LYS A 31 6.558 -5.009 -12.090 1.00 0.00 C ATOM 477 NZ LYS A 31 7.046 -5.450 -13.411 1.00 0.00 N ATOM 0 H LYS A 31 5.287 -0.459 -9.681 1.00 0.00 H new ATOM 0 HA LYS A 31 6.283 -2.441 -7.936 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.277 -1.175 -10.492 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.337 -2.232 -9.581 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.584 -4.026 -9.619 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.520 -2.969 -10.526 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.082 -2.936 -12.431 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.281 -3.830 -11.517 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.768 -5.780 -11.349 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.476 -4.886 -12.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.775 -6.442 -13.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.625 -4.855 -14.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.082 -5.364 -13.445 1.00 0.00 H new ATOM 491 N GLN A 32 7.632 0.509 -7.485 1.00 0.00 N ATOM 492 CA GLN A 32 8.442 1.254 -6.506 1.00 0.00 C ATOM 493 C GLN A 32 7.903 1.135 -5.063 1.00 0.00 C ATOM 494 O GLN A 32 8.691 0.999 -4.127 1.00 0.00 O ATOM 495 CB GLN A 32 8.519 2.724 -6.962 1.00 0.00 C ATOM 496 CG GLN A 32 9.648 2.941 -7.976 1.00 0.00 C ATOM 497 CD GLN A 32 9.576 4.324 -8.585 1.00 0.00 C ATOM 498 OE1 GLN A 32 10.338 5.221 -8.246 1.00 0.00 O ATOM 499 NE2 GLN A 32 8.654 4.532 -9.499 1.00 0.00 N ATOM 0 H GLN A 32 7.088 1.107 -8.107 1.00 0.00 H new ATOM 0 HA GLN A 32 9.440 0.818 -6.475 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.568 3.018 -7.407 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.678 3.366 -6.096 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.612 2.806 -7.486 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.583 2.190 -8.763 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.026 3.776 -9.772 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.567 5.450 -9.936 1.00 0.00 H new ATOM 508 N TYR A 33 6.579 1.120 -4.870 1.00 0.00 N ATOM 509 CA TYR A 33 5.933 0.858 -3.565 1.00 0.00 C ATOM 510 C TYR A 33 5.881 -0.638 -3.154 1.00 0.00 C ATOM 511 O TYR A 33 5.697 -0.942 -1.978 1.00 0.00 O ATOM 512 CB TYR A 33 4.516 1.461 -3.575 1.00 0.00 C ATOM 513 CG TYR A 33 4.459 2.949 -3.260 1.00 0.00 C ATOM 514 CD1 TYR A 33 4.943 3.904 -4.178 1.00 0.00 C ATOM 515 CD2 TYR A 33 3.911 3.387 -2.037 1.00 0.00 C ATOM 516 CE1 TYR A 33 4.881 5.278 -3.874 1.00 0.00 C ATOM 517 CE2 TYR A 33 3.853 4.761 -1.735 1.00 0.00 C ATOM 518 CZ TYR A 33 4.333 5.706 -2.656 1.00 0.00 C ATOM 519 OH TYR A 33 4.269 7.034 -2.367 1.00 0.00 O ATOM 0 H TYR A 33 5.911 1.291 -5.622 1.00 0.00 H new ATOM 0 HA TYR A 33 6.558 1.336 -2.811 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.071 1.293 -4.556 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.902 0.926 -2.850 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.363 3.580 -5.119 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.534 2.665 -1.328 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.256 6.004 -4.580 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.438 5.089 -0.793 1.00 0.00 H new ATOM 0 HH TYR A 33 3.861 7.157 -1.485 1.00 0.00 H new ATOM 529 N PHE A 34 6.043 -1.541 -4.125 1.00 0.00 N ATOM 530 CA PHE A 34 5.821 -2.998 -3.956 1.00 0.00 C ATOM 531 C PHE A 34 6.919 -3.936 -4.516 1.00 0.00 C ATOM 532 O PHE A 34 6.660 -5.109 -4.801 1.00 0.00 O ATOM 533 CB PHE A 34 4.396 -3.375 -4.401 1.00 0.00 C ATOM 534 CG PHE A 34 3.299 -2.645 -3.641 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.188 -2.807 -2.245 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.406 -1.788 -4.313 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.208 -2.104 -1.525 1.00 0.00 C ATOM 538 CE2 PHE A 34 1.419 -1.091 -3.593 1.00 0.00 C ATOM 539 CZ PHE A 34 1.322 -1.247 -2.198 1.00 0.00 C ATOM 0 H PHE A 34 6.336 -1.287 -5.068 1.00 0.00 H new ATOM 0 HA PHE A 34 5.915 -3.182 -2.886 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.290 -3.163 -5.465 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.259 -4.449 -4.275 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.860 -3.475 -1.727 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.479 -1.666 -5.384 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.136 -2.223 -0.454 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.735 -0.435 -4.111 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.567 -0.708 -1.645 1.00 0.00 H new ATOM 549 N ASN A 35 8.155 -3.448 -4.646 1.00 0.00 N ATOM 550 CA ASN A 35 9.308 -4.231 -5.123 1.00 0.00 C ATOM 551 C ASN A 35 9.723 -5.402 -4.195 1.00 0.00 C ATOM 552 O ASN A 35 9.594 -6.571 -4.571 1.00 0.00 O ATOM 553 CB ASN A 35 10.507 -3.309 -5.429 1.00 0.00 C ATOM 554 CG ASN A 35 10.729 -2.165 -4.445 1.00 0.00 C ATOM 555 OD1 ASN A 35 10.542 -2.287 -3.239 1.00 0.00 O ATOM 556 ND2 ASN A 35 11.101 -1.008 -4.944 1.00 0.00 N ATOM 0 H ASN A 35 8.391 -2.482 -4.420 1.00 0.00 H new ATOM 0 HA ASN A 35 8.974 -4.707 -6.045 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.411 -3.917 -5.461 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.372 -2.887 -6.425 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.236 -0.206 -4.328 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.255 -0.911 -5.948 1.00 0.00 H new ATOM 563 N ASP A 36 10.237 -5.094 -2.998 1.00 0.00 N ATOM 564 CA ASP A 36 10.880 -6.046 -2.067 1.00 0.00 C ATOM 565 C ASP A 36 10.863 -5.606 -0.590 1.00 0.00 C ATOM 566 O ASP A 36 11.571 -6.163 0.251 1.00 0.00 O ATOM 567 CB ASP A 36 12.321 -6.321 -2.541 1.00 0.00 C ATOM 568 CG ASP A 36 13.243 -5.078 -2.590 1.00 0.00 C ATOM 569 OD1 ASP A 36 13.759 -4.652 -1.527 1.00 0.00 O ATOM 570 OD2 ASP A 36 13.477 -4.546 -3.701 1.00 0.00 O ATOM 0 H ASP A 36 10.219 -4.142 -2.632 1.00 0.00 H new ATOM 0 HA ASP A 36 10.286 -6.959 -2.093 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.770 -7.062 -1.879 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.282 -6.765 -3.536 1.00 0.00 H new ATOM 575 N ASN A 37 10.013 -4.632 -0.269 1.00 0.00 N ATOM 576 CA ASN A 37 9.719 -4.246 1.116 1.00 0.00 C ATOM 577 C ASN A 37 9.152 -5.428 1.949 1.00 0.00 C ATOM 578 O ASN A 37 9.462 -5.584 3.134 1.00 0.00 O ATOM 579 CB ASN A 37 8.793 -3.017 1.102 1.00 0.00 C ATOM 580 CG ASN A 37 7.460 -3.174 0.369 1.00 0.00 C ATOM 581 OD1 ASN A 37 7.152 -4.191 -0.245 1.00 0.00 O ATOM 582 ND2 ASN A 37 6.655 -2.137 0.383 1.00 0.00 N ATOM 0 H ASN A 37 9.505 -4.084 -0.963 1.00 0.00 H new ATOM 0 HA ASN A 37 10.646 -3.973 1.620 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.584 -2.736 2.134 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.335 -2.187 0.650 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.767 -2.174 -0.118 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.917 -1.295 0.895 1.00 0.00 H new ATOM 589 N GLY A 38 8.356 -6.273 1.289 1.00 0.00 N ATOM 590 CA GLY A 38 7.761 -7.486 1.866 1.00 0.00 C ATOM 591 C GLY A 38 6.965 -8.384 0.910 1.00 0.00 C ATOM 592 O GLY A 38 6.939 -9.601 1.108 1.00 0.00 O ATOM 0 H GLY A 38 8.099 -6.131 0.312 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.561 -8.082 2.306 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.101 -7.187 2.681 1.00 0.00 H new ATOM 596 N VAL A 39 6.336 -7.817 -0.127 1.00 0.00 N ATOM 597 CA VAL A 39 5.423 -8.553 -1.027 1.00 0.00 C ATOM 598 C VAL A 39 6.133 -9.655 -1.830 1.00 0.00 C ATOM 599 O VAL A 39 5.740 -10.817 -1.738 1.00 0.00 O ATOM 600 CB VAL A 39 4.679 -7.606 -1.994 1.00 0.00 C ATOM 601 CG1 VAL A 39 3.564 -8.352 -2.737 1.00 0.00 C ATOM 602 CG2 VAL A 39 4.016 -6.437 -1.256 1.00 0.00 C ATOM 0 H VAL A 39 6.443 -6.832 -0.371 1.00 0.00 H new ATOM 0 HA VAL A 39 4.696 -9.032 -0.371 1.00 0.00 H new ATOM 0 HB VAL A 39 5.433 -7.231 -2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.054 -7.665 -3.412 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.995 -9.172 -3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.850 -8.750 -2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.504 -5.796 -1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.295 -6.823 -0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.777 -5.859 -0.732 1.00 0.00 H new ATOM 612 N ASP A 40 7.188 -9.308 -2.588 1.00 0.00 N ATOM 613 CA ASP A 40 7.961 -10.211 -3.474 1.00 0.00 C ATOM 614 C ASP A 40 7.102 -11.281 -4.197 1.00 0.00 C ATOM 615 O ASP A 40 7.400 -12.479 -4.175 1.00 0.00 O ATOM 616 CB ASP A 40 9.137 -10.806 -2.667 1.00 0.00 C ATOM 617 CG ASP A 40 10.170 -11.592 -3.508 1.00 0.00 C ATOM 618 OD1 ASP A 40 10.513 -11.153 -4.634 1.00 0.00 O ATOM 619 OD2 ASP A 40 10.678 -12.631 -3.017 1.00 0.00 O ATOM 0 H ASP A 40 7.544 -8.352 -2.604 1.00 0.00 H new ATOM 0 HA ASP A 40 8.358 -9.622 -4.301 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.651 -9.996 -2.150 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.735 -11.468 -1.900 1.00 0.00 H new ATOM 624 N GLY A 41 5.990 -10.838 -4.793 1.00 0.00 N ATOM 625 CA GLY A 41 4.929 -11.691 -5.347 1.00 0.00 C ATOM 626 C GLY A 41 4.793 -11.675 -6.876 1.00 0.00 C ATOM 627 O GLY A 41 5.590 -11.065 -7.595 1.00 0.00 O ATOM 0 H GLY A 41 5.796 -9.843 -4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.109 -12.717 -5.027 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.978 -11.384 -4.913 1.00 0.00 H new ATOM 631 N GLU A 42 3.761 -12.370 -7.366 1.00 0.00 N ATOM 632 CA GLU A 42 3.390 -12.534 -8.788 1.00 0.00 C ATOM 633 C GLU A 42 2.410 -11.455 -9.255 1.00 0.00 C ATOM 634 O GLU A 42 1.293 -11.358 -8.746 1.00 0.00 O ATOM 635 CB GLU A 42 2.718 -13.903 -8.984 1.00 0.00 C ATOM 636 CG GLU A 42 2.373 -14.284 -10.429 1.00 0.00 C ATOM 637 CD GLU A 42 3.615 -14.484 -11.292 1.00 0.00 C ATOM 638 OE1 GLU A 42 4.132 -13.487 -11.845 1.00 0.00 O ATOM 639 OE2 GLU A 42 4.050 -15.648 -11.444 1.00 0.00 O ATOM 0 H GLU A 42 3.119 -12.866 -6.748 1.00 0.00 H new ATOM 0 HA GLU A 42 4.305 -12.451 -9.374 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.376 -14.670 -8.575 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.801 -13.922 -8.396 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.783 -15.201 -10.429 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.751 -13.504 -10.868 1.00 0.00 H new ATOM 646 N TRP A 43 2.825 -10.653 -10.227 1.00 0.00 N ATOM 647 CA TRP A 43 2.043 -9.551 -10.800 1.00 0.00 C ATOM 648 C TRP A 43 1.096 -9.998 -11.933 1.00 0.00 C ATOM 649 O TRP A 43 1.436 -10.855 -12.753 1.00 0.00 O ATOM 650 CB TRP A 43 3.033 -8.509 -11.329 1.00 0.00 C ATOM 651 CG TRP A 43 3.787 -7.786 -10.256 1.00 0.00 C ATOM 652 CD1 TRP A 43 4.763 -8.318 -9.484 1.00 0.00 C ATOM 653 CD2 TRP A 43 3.605 -6.417 -9.778 1.00 0.00 C ATOM 654 NE1 TRP A 43 5.173 -7.398 -8.545 1.00 0.00 N ATOM 655 CE2 TRP A 43 4.468 -6.222 -8.658 1.00 0.00 C ATOM 656 CE3 TRP A 43 2.787 -5.328 -10.162 1.00 0.00 C ATOM 657 CZ2 TRP A 43 4.495 -5.028 -7.930 1.00 0.00 C ATOM 658 CZ3 TRP A 43 2.826 -4.112 -9.453 1.00 0.00 C ATOM 659 CH2 TRP A 43 3.669 -3.967 -8.335 1.00 0.00 C ATOM 0 H TRP A 43 3.745 -10.750 -10.657 1.00 0.00 H new ATOM 0 HA TRP A 43 1.402 -9.143 -10.019 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.745 -9.002 -11.990 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.491 -7.781 -11.932 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.161 -9.316 -9.589 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.905 -7.567 -7.855 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.125 -5.431 -11.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.141 -4.924 -7.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.206 -3.286 -9.769 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.681 -3.037 -7.787 1.00 0.00 H new ATOM 670 N THR A 44 -0.084 -9.377 -12.004 1.00 0.00 N ATOM 671 CA THR A 44 -1.106 -9.540 -13.064 1.00 0.00 C ATOM 672 C THR A 44 -1.703 -8.165 -13.421 1.00 0.00 C ATOM 673 O THR A 44 -1.712 -7.277 -12.562 1.00 0.00 O ATOM 674 CB THR A 44 -2.243 -10.475 -12.585 1.00 0.00 C ATOM 675 OG1 THR A 44 -1.736 -11.639 -11.964 1.00 0.00 O ATOM 676 CG2 THR A 44 -3.191 -10.942 -13.696 1.00 0.00 C ATOM 0 H THR A 44 -0.376 -8.710 -11.290 1.00 0.00 H new ATOM 0 HA THR A 44 -0.629 -9.980 -13.940 1.00 0.00 H new ATOM 0 HB THR A 44 -2.803 -9.857 -11.884 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.481 -12.205 -11.673 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.956 -11.592 -13.272 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.666 -10.076 -14.157 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.626 -11.490 -14.450 1.00 0.00 H new ATOM 684 N TYR A 45 -2.234 -7.960 -14.636 1.00 0.00 N ATOM 685 CA TYR A 45 -2.886 -6.703 -15.055 1.00 0.00 C ATOM 686 C TYR A 45 -4.110 -6.936 -15.962 1.00 0.00 C ATOM 687 O TYR A 45 -4.089 -7.801 -16.843 1.00 0.00 O ATOM 688 CB TYR A 45 -1.867 -5.820 -15.796 1.00 0.00 C ATOM 689 CG TYR A 45 -2.454 -4.568 -16.435 1.00 0.00 C ATOM 690 CD1 TYR A 45 -2.947 -3.521 -15.633 1.00 0.00 C ATOM 691 CD2 TYR A 45 -2.542 -4.463 -17.837 1.00 0.00 C ATOM 692 CE1 TYR A 45 -3.518 -2.378 -16.225 1.00 0.00 C ATOM 693 CE2 TYR A 45 -3.113 -3.320 -18.428 1.00 0.00 C ATOM 694 CZ TYR A 45 -3.606 -2.279 -17.623 1.00 0.00 C ATOM 695 OH TYR A 45 -4.168 -1.179 -18.194 1.00 0.00 O ATOM 0 H TYR A 45 -2.224 -8.671 -15.368 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.242 -6.210 -14.150 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.088 -5.522 -15.095 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.387 -6.416 -16.572 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.887 -3.595 -14.557 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -2.170 -5.262 -18.461 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.889 -1.577 -15.603 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.172 -3.243 -19.504 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.381 -1.370 -19.131 1.00 0.00 H new ATOM 705 N ASP A 46 -5.154 -6.123 -15.776 1.00 0.00 N ATOM 706 CA ASP A 46 -6.383 -6.073 -16.579 1.00 0.00 C ATOM 707 C ASP A 46 -6.572 -4.712 -17.267 1.00 0.00 C ATOM 708 O ASP A 46 -6.822 -3.703 -16.602 1.00 0.00 O ATOM 709 CB ASP A 46 -7.581 -6.359 -15.655 1.00 0.00 C ATOM 710 CG ASP A 46 -8.904 -6.507 -16.421 1.00 0.00 C ATOM 711 OD1 ASP A 46 -9.358 -5.493 -16.995 1.00 0.00 O ATOM 712 OD2 ASP A 46 -9.477 -7.623 -16.444 1.00 0.00 O ATOM 0 H ASP A 46 -5.166 -5.442 -15.017 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.310 -6.823 -17.366 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.389 -7.272 -15.092 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.675 -5.551 -14.930 1.00 0.00 H new ATOM 717 N ASP A 47 -6.515 -4.664 -18.601 1.00 0.00 N ATOM 718 CA ASP A 47 -6.738 -3.469 -19.435 1.00 0.00 C ATOM 719 C ASP A 47 -8.211 -3.110 -19.705 1.00 0.00 C ATOM 720 O ASP A 47 -8.487 -2.045 -20.260 1.00 0.00 O ATOM 721 CB ASP A 47 -5.973 -3.640 -20.764 1.00 0.00 C ATOM 722 CG ASP A 47 -5.647 -2.297 -21.447 1.00 0.00 C ATOM 723 OD1 ASP A 47 -5.050 -1.414 -20.781 1.00 0.00 O ATOM 724 OD2 ASP A 47 -6.007 -2.111 -22.633 1.00 0.00 O ATOM 0 H ASP A 47 -6.303 -5.492 -19.158 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.359 -2.626 -18.858 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.045 -4.181 -20.576 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.567 -4.252 -21.443 1.00 0.00 H new ATOM 729 N ALA A 48 -9.143 -4.006 -19.372 1.00 0.00 N ATOM 730 CA ALA A 48 -10.581 -3.681 -19.463 1.00 0.00 C ATOM 731 C ALA A 48 -11.096 -2.782 -18.299 1.00 0.00 C ATOM 732 O ALA A 48 -12.080 -2.056 -18.458 1.00 0.00 O ATOM 733 CB ALA A 48 -11.388 -4.980 -19.545 1.00 0.00 C ATOM 0 H ALA A 48 -8.940 -4.949 -19.041 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.720 -3.091 -20.369 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.450 -4.745 -19.612 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.084 -5.542 -20.428 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.205 -5.579 -18.653 1.00 0.00 H new ATOM 739 N THR A 49 -10.434 -2.835 -17.133 1.00 0.00 N ATOM 740 CA THR A 49 -10.721 -2.042 -15.917 1.00 0.00 C ATOM 741 C THR A 49 -9.490 -1.309 -15.321 1.00 0.00 C ATOM 742 O THR A 49 -9.551 -0.737 -14.230 1.00 0.00 O ATOM 743 CB THR A 49 -11.507 -2.894 -14.897 1.00 0.00 C ATOM 744 OG1 THR A 49 -12.232 -2.092 -13.991 1.00 0.00 O ATOM 745 CG2 THR A 49 -10.660 -3.881 -14.095 1.00 0.00 C ATOM 0 H THR A 49 -9.642 -3.464 -17.001 1.00 0.00 H new ATOM 0 HA THR A 49 -11.364 -1.215 -16.217 1.00 0.00 H new ATOM 0 HB THR A 49 -12.184 -3.478 -15.521 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.680 -1.332 -13.713 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.299 -4.433 -13.406 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.172 -4.579 -14.776 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.903 -3.336 -13.530 1.00 0.00 H new ATOM 753 N LYS A 50 -8.352 -1.292 -16.031 1.00 0.00 N ATOM 754 CA LYS A 50 -7.137 -0.514 -15.704 1.00 0.00 C ATOM 755 C LYS A 50 -6.589 -0.793 -14.287 1.00 0.00 C ATOM 756 O LYS A 50 -6.287 0.117 -13.508 1.00 0.00 O ATOM 757 CB LYS A 50 -7.345 0.991 -15.989 1.00 0.00 C ATOM 758 CG LYS A 50 -7.908 1.357 -17.374 1.00 0.00 C ATOM 759 CD LYS A 50 -7.166 0.696 -18.545 1.00 0.00 C ATOM 760 CE LYS A 50 -7.633 1.294 -19.876 1.00 0.00 C ATOM 761 NZ LYS A 50 -7.233 0.458 -21.022 1.00 0.00 N ATOM 0 H LYS A 50 -8.244 -1.841 -16.884 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.351 -0.863 -16.373 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.018 1.392 -15.231 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.387 1.497 -15.865 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.959 1.070 -17.415 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.868 2.439 -17.497 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.092 0.840 -18.431 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.346 -0.379 -18.538 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.718 1.401 -19.866 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.215 2.294 -19.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.351 0.998 -21.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.237 0.179 -20.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.829 -0.394 -21.055 1.00 0.00 H new ATOM 775 N THR A 51 -6.502 -2.077 -13.941 1.00 0.00 N ATOM 776 CA THR A 51 -6.194 -2.546 -12.578 1.00 0.00 C ATOM 777 C THR A 51 -5.136 -3.656 -12.575 1.00 0.00 C ATOM 778 O THR A 51 -5.117 -4.529 -13.441 1.00 0.00 O ATOM 779 CB THR A 51 -7.482 -3.004 -11.862 1.00 0.00 C ATOM 780 OG1 THR A 51 -8.403 -1.935 -11.753 1.00 0.00 O ATOM 781 CG2 THR A 51 -7.258 -3.509 -10.433 1.00 0.00 C ATOM 0 H THR A 51 -6.645 -2.837 -14.606 1.00 0.00 H new ATOM 0 HA THR A 51 -5.771 -1.705 -12.029 1.00 0.00 H new ATOM 0 HB THR A 51 -7.855 -3.821 -12.479 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.685 -1.653 -12.648 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.212 -3.811 -10.000 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.581 -4.363 -10.451 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.822 -2.713 -9.830 1.00 0.00 H new ATOM 789 N PHE A 52 -4.263 -3.628 -11.572 1.00 0.00 N ATOM 790 CA PHE A 52 -3.162 -4.549 -11.296 1.00 0.00 C ATOM 791 C PHE A 52 -3.506 -5.413 -10.069 1.00 0.00 C ATOM 792 O PHE A 52 -4.177 -4.944 -9.148 1.00 0.00 O ATOM 793 CB PHE A 52 -1.869 -3.758 -11.048 1.00 0.00 C ATOM 794 CG PHE A 52 -1.281 -3.095 -12.278 1.00 0.00 C ATOM 795 CD1 PHE A 52 -1.702 -1.807 -12.669 1.00 0.00 C ATOM 796 CD2 PHE A 52 -0.309 -3.771 -13.040 1.00 0.00 C ATOM 797 CE1 PHE A 52 -1.162 -1.203 -13.818 1.00 0.00 C ATOM 798 CE2 PHE A 52 0.227 -3.169 -14.191 1.00 0.00 C ATOM 799 CZ PHE A 52 -0.204 -1.890 -14.583 1.00 0.00 C ATOM 0 H PHE A 52 -4.312 -2.893 -10.867 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.011 -5.201 -12.156 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.067 -2.991 -10.299 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.124 -4.431 -10.625 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.442 -1.282 -12.083 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.025 -4.753 -12.740 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.482 -0.214 -14.112 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.971 -3.690 -14.775 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.202 -1.434 -15.474 1.00 0.00 H new ATOM 809 N THR A 53 -3.064 -6.668 -10.056 1.00 0.00 N ATOM 810 CA THR A 53 -3.344 -7.623 -8.966 1.00 0.00 C ATOM 811 C THR A 53 -2.085 -8.399 -8.572 1.00 0.00 C ATOM 812 O THR A 53 -1.536 -9.162 -9.372 1.00 0.00 O ATOM 813 CB THR A 53 -4.465 -8.612 -9.342 1.00 0.00 C ATOM 814 OG1 THR A 53 -5.625 -7.940 -9.785 1.00 0.00 O ATOM 815 CG2 THR A 53 -4.889 -9.494 -8.163 1.00 0.00 C ATOM 0 H THR A 53 -2.495 -7.063 -10.805 1.00 0.00 H new ATOM 0 HA THR A 53 -3.679 -7.033 -8.113 1.00 0.00 H new ATOM 0 HB THR A 53 -4.043 -9.228 -10.137 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.315 -8.596 -10.017 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.681 -10.172 -8.482 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.033 -10.073 -7.816 1.00 0.00 H new ATOM 0 HG23 THR A 53 -5.255 -8.865 -7.351 1.00 0.00 H new ATOM 823 N VAL A 54 -1.623 -8.182 -7.339 1.00 0.00 N ATOM 824 CA VAL A 54 -0.372 -8.747 -6.796 1.00 0.00 C ATOM 825 C VAL A 54 -0.668 -9.718 -5.651 1.00 0.00 C ATOM 826 O VAL A 54 -1.463 -9.426 -4.758 1.00 0.00 O ATOM 827 CB VAL A 54 0.607 -7.646 -6.348 1.00 0.00 C ATOM 828 CG1 VAL A 54 1.967 -8.243 -5.966 1.00 0.00 C ATOM 829 CG2 VAL A 54 0.868 -6.646 -7.482 1.00 0.00 C ATOM 0 H VAL A 54 -2.117 -7.594 -6.668 1.00 0.00 H new ATOM 0 HA VAL A 54 0.113 -9.301 -7.600 1.00 0.00 H new ATOM 0 HB VAL A 54 0.146 -7.151 -5.493 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.640 -7.445 -5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.837 -8.950 -5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.392 -8.760 -6.826 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.563 -5.879 -7.138 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.298 -7.169 -8.336 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.071 -6.178 -7.778 1.00 0.00 H new ATOM 839 N THR A 55 -0.038 -10.886 -5.728 1.00 0.00 N ATOM 840 CA THR A 55 -0.270 -12.039 -4.836 1.00 0.00 C ATOM 841 C THR A 55 1.042 -12.677 -4.357 1.00 0.00 C ATOM 842 O THR A 55 1.985 -12.790 -5.148 1.00 0.00 O ATOM 843 CB THR A 55 -1.228 -13.047 -5.505 1.00 0.00 C ATOM 844 OG1 THR A 55 -2.454 -12.424 -5.828 1.00 0.00 O ATOM 845 CG2 THR A 55 -1.582 -14.245 -4.623 1.00 0.00 C ATOM 0 H THR A 55 0.674 -11.072 -6.434 1.00 0.00 H new ATOM 0 HA THR A 55 -0.758 -11.680 -3.930 1.00 0.00 H new ATOM 0 HB THR A 55 -0.689 -13.397 -6.385 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.050 -13.076 -6.253 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.259 -14.907 -5.163 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.673 -14.788 -4.364 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.067 -13.895 -3.712 1.00 0.00 H new ATOM 853 N GLU A 56 1.128 -13.087 -3.081 1.00 0.00 N ATOM 854 CA GLU A 56 2.261 -13.872 -2.534 1.00 0.00 C ATOM 855 C GLU A 56 2.188 -15.341 -2.965 1.00 0.00 C ATOM 856 O GLU A 56 1.146 -15.985 -2.719 1.00 0.00 O ATOM 857 CB GLU A 56 2.318 -13.815 -1.000 1.00 0.00 C ATOM 858 CG GLU A 56 2.918 -12.510 -0.470 1.00 0.00 C ATOM 859 CD GLU A 56 3.135 -12.595 1.034 1.00 0.00 C ATOM 860 OE1 GLU A 56 3.870 -13.503 1.484 1.00 0.00 O ATOM 861 OE2 GLU A 56 2.554 -11.771 1.770 1.00 0.00 O ATOM 862 OXT GLU A 56 3.185 -15.837 -3.530 1.00 0.00 O ATOM 0 H GLU A 56 0.408 -12.884 -2.388 1.00 0.00 H new ATOM 0 HA GLU A 56 3.164 -13.415 -2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.311 -13.934 -0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.908 -14.655 -0.633 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.866 -12.310 -0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.254 -11.677 -0.701 1.00 0.00 H new TER 869 GLU A 56 ATOM 870 N MET B 1 -4.005 -8.851 17.115 1.00 0.00 N ATOM 871 CA MET B 1 -5.324 -8.536 16.500 1.00 0.00 C ATOM 872 C MET B 1 -5.157 -7.845 15.144 1.00 0.00 C ATOM 873 O MET B 1 -4.032 -7.618 14.699 1.00 0.00 O ATOM 874 CB MET B 1 -6.237 -7.754 17.467 1.00 0.00 C ATOM 875 CG MET B 1 -5.826 -6.295 17.719 1.00 0.00 C ATOM 876 SD MET B 1 -6.809 -5.454 18.995 1.00 0.00 S ATOM 877 CE MET B 1 -8.469 -5.503 18.259 1.00 0.00 C ATOM 0 H1 MET B 1 -3.946 -9.872 17.306 1.00 0.00 H new ATOM 0 H2 MET B 1 -3.243 -8.577 16.462 1.00 0.00 H new ATOM 0 H3 MET B 1 -3.903 -8.325 18.006 1.00 0.00 H new ATOM 0 HA MET B 1 -5.833 -9.480 16.305 1.00 0.00 H new ATOM 0 HB2 MET B 1 -7.253 -7.765 17.072 1.00 0.00 H new ATOM 0 HB3 MET B 1 -6.261 -8.278 18.422 1.00 0.00 H new ATOM 0 HG2 MET B 1 -4.776 -6.270 18.010 1.00 0.00 H new ATOM 0 HG3 MET B 1 -5.911 -5.739 16.785 1.00 0.00 H new ATOM 0 HE1 MET B 1 -9.121 -4.805 18.785 1.00 0.00 H new ATOM 0 HE2 MET B 1 -8.409 -5.222 17.208 1.00 0.00 H new ATOM 0 HE3 MET B 1 -8.874 -6.511 18.342 1.00 0.00 H new ATOM 889 N GLN B 2 -6.263 -7.522 14.465 1.00 0.00 N ATOM 890 CA GLN B 2 -6.256 -6.785 13.188 1.00 0.00 C ATOM 891 C GLN B 2 -5.925 -5.288 13.384 1.00 0.00 C ATOM 892 O GLN B 2 -6.546 -4.617 14.213 1.00 0.00 O ATOM 893 CB GLN B 2 -7.630 -6.921 12.500 1.00 0.00 C ATOM 894 CG GLN B 2 -7.573 -6.623 10.993 1.00 0.00 C ATOM 895 CD GLN B 2 -7.371 -7.882 10.177 1.00 0.00 C ATOM 896 OE1 GLN B 2 -8.320 -8.547 9.782 1.00 0.00 O ATOM 897 NE2 GLN B 2 -6.141 -8.244 9.897 1.00 0.00 N ATOM 0 H GLN B 2 -7.200 -7.766 14.786 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.477 -7.220 12.562 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -8.009 -7.932 12.652 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.338 -6.241 12.974 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -8.497 -6.134 10.684 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -6.760 -5.925 10.791 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -5.356 -7.684 10.230 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -5.970 -9.085 9.346 1.00 0.00 H new ATOM 906 N TYR B 3 -4.986 -4.764 12.597 1.00 0.00 N ATOM 907 CA TYR B 3 -4.655 -3.330 12.482 1.00 0.00 C ATOM 908 C TYR B 3 -4.738 -2.832 11.026 1.00 0.00 C ATOM 909 O TYR B 3 -4.621 -3.629 10.093 1.00 0.00 O ATOM 910 CB TYR B 3 -3.262 -3.074 13.069 1.00 0.00 C ATOM 911 CG TYR B 3 -3.124 -3.390 14.549 1.00 0.00 C ATOM 912 CD1 TYR B 3 -3.390 -2.398 15.512 1.00 0.00 C ATOM 913 CD2 TYR B 3 -2.721 -4.674 14.965 1.00 0.00 C ATOM 914 CE1 TYR B 3 -3.288 -2.701 16.883 1.00 0.00 C ATOM 915 CE2 TYR B 3 -2.609 -4.971 16.336 1.00 0.00 C ATOM 916 CZ TYR B 3 -2.910 -3.991 17.293 1.00 0.00 C ATOM 917 OH TYR B 3 -2.832 -4.294 18.619 1.00 0.00 O ATOM 0 H TYR B 3 -4.406 -5.346 11.993 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.395 -2.765 13.050 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -2.536 -3.669 12.516 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.003 -2.027 12.910 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -3.673 -1.404 15.199 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -2.497 -5.433 14.230 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -3.500 -1.941 17.621 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -2.291 -5.954 16.651 1.00 0.00 H new ATOM 0 HH TYR B 3 -2.557 -5.229 18.725 1.00 0.00 H new ATOM 927 N LYS B 4 -4.894 -1.524 10.807 1.00 0.00 N ATOM 928 CA LYS B 4 -5.137 -0.917 9.485 1.00 0.00 C ATOM 929 C LYS B 4 -4.279 0.348 9.234 1.00 0.00 C ATOM 930 O LYS B 4 -3.892 1.041 10.174 1.00 0.00 O ATOM 931 CB LYS B 4 -6.647 -0.621 9.391 1.00 0.00 C ATOM 932 CG LYS B 4 -7.117 -0.218 7.986 1.00 0.00 C ATOM 933 CD LYS B 4 -8.602 0.156 7.941 1.00 0.00 C ATOM 934 CE LYS B 4 -8.907 0.652 6.525 1.00 0.00 C ATOM 935 NZ LYS B 4 -10.284 1.160 6.382 1.00 0.00 N ATOM 0 H LYS B 4 -4.855 -0.836 11.559 1.00 0.00 H new ATOM 0 HA LYS B 4 -4.834 -1.612 8.702 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -7.201 -1.504 9.709 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -6.894 0.179 10.089 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -6.523 0.627 7.638 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -6.933 -1.042 7.296 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.222 -0.706 8.188 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -8.825 0.930 8.675 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -8.204 1.442 6.262 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -8.750 -0.162 5.818 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -10.354 1.736 5.519 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -10.945 0.359 6.318 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -10.526 1.744 7.208 1.00 0.00 H new ATOM 949 N LEU B 5 -4.023 0.679 7.968 1.00 0.00 N ATOM 950 CA LEU B 5 -3.231 1.821 7.488 1.00 0.00 C ATOM 951 C LEU B 5 -3.977 2.553 6.354 1.00 0.00 C ATOM 952 O LEU B 5 -4.457 1.911 5.420 1.00 0.00 O ATOM 953 CB LEU B 5 -1.877 1.252 7.015 1.00 0.00 C ATOM 954 CG LEU B 5 -0.713 2.188 6.639 1.00 0.00 C ATOM 955 CD1 LEU B 5 -0.866 2.857 5.278 1.00 0.00 C ATOM 956 CD2 LEU B 5 -0.436 3.250 7.700 1.00 0.00 C ATOM 0 H LEU B 5 -4.386 0.121 7.195 1.00 0.00 H new ATOM 0 HA LEU B 5 -3.072 2.559 8.275 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.515 0.592 7.803 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.079 0.628 6.145 1.00 0.00 H new ATOM 0 HG LEU B 5 0.145 1.518 6.580 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -0.005 3.499 5.089 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.926 2.094 4.502 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -1.776 3.457 5.268 1.00 0.00 H new ATOM 0 HD21 LEU B 5 0.394 3.878 7.378 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.324 3.866 7.839 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.180 2.765 8.642 1.00 0.00 H new ATOM 968 N ILE B 6 -4.042 3.884 6.409 1.00 0.00 N ATOM 969 CA ILE B 6 -4.550 4.768 5.340 1.00 0.00 C ATOM 970 C ILE B 6 -3.388 5.619 4.821 1.00 0.00 C ATOM 971 O ILE B 6 -2.715 6.288 5.612 1.00 0.00 O ATOM 972 CB ILE B 6 -5.676 5.694 5.862 1.00 0.00 C ATOM 973 CG1 ILE B 6 -6.791 4.872 6.546 1.00 0.00 C ATOM 974 CG2 ILE B 6 -6.211 6.582 4.714 1.00 0.00 C ATOM 975 CD1 ILE B 6 -7.960 5.703 7.091 1.00 0.00 C ATOM 0 H ILE B 6 -3.731 4.404 7.230 1.00 0.00 H new ATOM 0 HA ILE B 6 -4.966 4.153 4.541 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.269 6.359 6.623 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -7.181 4.148 5.830 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -6.353 4.304 7.367 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -7.002 7.229 5.093 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -5.400 7.194 4.319 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -6.608 5.950 3.920 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -8.693 5.041 7.553 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -7.589 6.409 7.834 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -8.430 6.250 6.274 1.00 0.00 H new ATOM 987 N LEU B 7 -3.127 5.627 3.515 1.00 0.00 N ATOM 988 CA LEU B 7 -1.981 6.267 2.880 1.00 0.00 C ATOM 989 C LEU B 7 -2.481 7.435 2.007 1.00 0.00 C ATOM 990 O LEU B 7 -3.263 7.233 1.072 1.00 0.00 O ATOM 991 CB LEU B 7 -1.275 5.156 2.074 1.00 0.00 C ATOM 992 CG LEU B 7 0.100 5.507 1.477 1.00 0.00 C ATOM 993 CD1 LEU B 7 0.801 4.210 1.074 1.00 0.00 C ATOM 994 CD2 LEU B 7 0.011 6.383 0.227 1.00 0.00 C ATOM 0 H LEU B 7 -3.738 5.166 2.841 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.274 6.701 3.587 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -1.154 4.289 2.723 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -1.934 4.855 1.259 1.00 0.00 H new ATOM 0 HG LEU B 7 0.643 6.062 2.242 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.778 4.441 0.649 1.00 0.00 H new ATOM 0 HD12 LEU B 7 0.928 3.577 1.952 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.198 3.685 0.333 1.00 0.00 H new ATOM 0 HD21 LEU B 7 1.015 6.593 -0.142 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.557 5.861 -0.543 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.488 7.320 0.474 1.00 0.00 H new ATOM 1006 N ASN B 8 -2.031 8.648 2.329 1.00 0.00 N ATOM 1007 CA ASN B 8 -2.242 9.834 1.504 1.00 0.00 C ATOM 1008 C ASN B 8 -0.883 10.429 1.082 1.00 0.00 C ATOM 1009 O ASN B 8 -0.148 10.958 1.915 1.00 0.00 O ATOM 1010 CB ASN B 8 -3.134 10.854 2.234 1.00 0.00 C ATOM 1011 CG ASN B 8 -4.310 10.272 2.993 1.00 0.00 C ATOM 1012 OD1 ASN B 8 -5.442 10.253 2.521 1.00 0.00 O ATOM 1013 ND2 ASN B 8 -4.058 9.838 4.206 1.00 0.00 N ATOM 0 H ASN B 8 -1.503 8.835 3.181 1.00 0.00 H new ATOM 0 HA ASN B 8 -2.772 9.553 0.594 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -2.515 11.415 2.934 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -3.514 11.567 1.502 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -4.814 9.472 4.784 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -3.106 9.867 4.570 1.00 0.00 H new ATOM 1020 N GLY B 9 -0.555 10.340 -0.208 1.00 0.00 N ATOM 1021 CA GLY B 9 0.692 10.846 -0.808 1.00 0.00 C ATOM 1022 C GLY B 9 0.500 11.636 -2.114 1.00 0.00 C ATOM 1023 O GLY B 9 -0.599 11.698 -2.673 1.00 0.00 O ATOM 0 H GLY B 9 -1.169 9.899 -0.893 1.00 0.00 H new ATOM 0 HA2 GLY B 9 1.195 11.485 -0.083 1.00 0.00 H new ATOM 0 HA3 GLY B 9 1.354 10.002 -1.003 1.00 0.00 H new ATOM 1027 N LYS B 10 1.580 12.253 -2.606 1.00 0.00 N ATOM 1028 CA LYS B 10 1.554 13.189 -3.746 1.00 0.00 C ATOM 1029 C LYS B 10 1.230 12.540 -5.110 1.00 0.00 C ATOM 1030 O LYS B 10 0.696 13.204 -6.002 1.00 0.00 O ATOM 1031 CB LYS B 10 2.906 13.922 -3.844 1.00 0.00 C ATOM 1032 CG LYS B 10 3.287 14.767 -2.612 1.00 0.00 C ATOM 1033 CD LYS B 10 2.274 15.863 -2.226 1.00 0.00 C ATOM 1034 CE LYS B 10 1.953 16.868 -3.342 1.00 0.00 C ATOM 1035 NZ LYS B 10 3.112 17.716 -3.696 1.00 0.00 N ATOM 0 H LYS B 10 2.514 12.117 -2.220 1.00 0.00 H new ATOM 0 HA LYS B 10 0.737 13.880 -3.539 1.00 0.00 H new ATOM 0 HB2 LYS B 10 3.690 13.184 -4.014 1.00 0.00 H new ATOM 0 HB3 LYS B 10 2.886 14.573 -4.718 1.00 0.00 H new ATOM 0 HG2 LYS B 10 3.417 14.099 -1.760 1.00 0.00 H new ATOM 0 HG3 LYS B 10 4.252 15.237 -2.799 1.00 0.00 H new ATOM 0 HD2 LYS B 10 1.347 15.385 -1.909 1.00 0.00 H new ATOM 0 HD3 LYS B 10 2.661 16.409 -1.366 1.00 0.00 H new ATOM 0 HE2 LYS B 10 1.620 16.327 -4.228 1.00 0.00 H new ATOM 0 HE3 LYS B 10 1.126 17.504 -3.026 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 2.841 18.376 -4.453 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 3.416 18.255 -2.860 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 3.895 17.115 -4.024 1.00 0.00 H new ATOM 1049 N THR B 11 1.535 11.251 -5.273 1.00 0.00 N ATOM 1050 CA THR B 11 1.419 10.496 -6.538 1.00 0.00 C ATOM 1051 C THR B 11 0.582 9.212 -6.426 1.00 0.00 C ATOM 1052 O THR B 11 0.074 8.704 -7.430 1.00 0.00 O ATOM 1053 CB THR B 11 2.817 10.086 -7.033 1.00 0.00 C ATOM 1054 OG1 THR B 11 3.581 9.515 -5.992 1.00 0.00 O ATOM 1055 CG2 THR B 11 3.604 11.268 -7.602 1.00 0.00 C ATOM 0 H THR B 11 1.883 10.677 -4.505 1.00 0.00 H new ATOM 0 HA THR B 11 0.915 11.170 -7.230 1.00 0.00 H new ATOM 0 HB THR B 11 2.648 9.355 -7.824 1.00 0.00 H new ATOM 0 HG1 THR B 11 4.464 9.262 -6.335 1.00 0.00 H new ATOM 0 HG21 THR B 11 4.583 10.926 -7.937 1.00 0.00 H new ATOM 0 HG22 THR B 11 3.061 11.695 -8.445 1.00 0.00 H new ATOM 0 HG23 THR B 11 3.730 12.027 -6.830 1.00 0.00 H new ATOM 1063 N LEU B 12 0.399 8.691 -5.212 1.00 0.00 N ATOM 1064 CA LEU B 12 -0.317 7.450 -4.909 1.00 0.00 C ATOM 1065 C LEU B 12 -1.105 7.584 -3.591 1.00 0.00 C ATOM 1066 O LEU B 12 -0.641 8.203 -2.629 1.00 0.00 O ATOM 1067 CB LEU B 12 0.726 6.310 -4.909 1.00 0.00 C ATOM 1068 CG LEU B 12 0.192 4.889 -4.627 1.00 0.00 C ATOM 1069 CD1 LEU B 12 1.082 3.856 -5.316 1.00 0.00 C ATOM 1070 CD2 LEU B 12 0.197 4.549 -3.136 1.00 0.00 C ATOM 0 H LEU B 12 0.763 9.144 -4.374 1.00 0.00 H new ATOM 0 HA LEU B 12 -1.073 7.222 -5.660 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.223 6.302 -5.879 1.00 0.00 H new ATOM 0 HB3 LEU B 12 1.486 6.543 -4.164 1.00 0.00 H new ATOM 0 HG LEU B 12 -0.831 4.865 -5.002 1.00 0.00 H new ATOM 0 HD11 LEU B 12 0.701 2.855 -5.114 1.00 0.00 H new ATOM 0 HD12 LEU B 12 1.081 4.034 -6.391 1.00 0.00 H new ATOM 0 HD13 LEU B 12 2.100 3.941 -4.935 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -0.188 3.539 -2.992 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.216 4.607 -2.753 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.434 5.258 -2.599 1.00 0.00 H new ATOM 1082 N LYS B 13 -2.293 6.982 -3.558 1.00 0.00 N ATOM 1083 CA LYS B 13 -3.160 6.897 -2.371 1.00 0.00 C ATOM 1084 C LYS B 13 -3.753 5.490 -2.206 1.00 0.00 C ATOM 1085 O LYS B 13 -3.962 4.782 -3.193 1.00 0.00 O ATOM 1086 CB LYS B 13 -4.291 7.938 -2.446 1.00 0.00 C ATOM 1087 CG LYS B 13 -3.783 9.391 -2.452 1.00 0.00 C ATOM 1088 CD LYS B 13 -4.908 10.421 -2.263 1.00 0.00 C ATOM 1089 CE LYS B 13 -5.524 10.347 -0.856 1.00 0.00 C ATOM 1090 NZ LYS B 13 -6.557 11.382 -0.645 1.00 0.00 N ATOM 0 H LYS B 13 -2.695 6.525 -4.377 1.00 0.00 H new ATOM 0 HA LYS B 13 -2.540 7.109 -1.500 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -4.878 7.762 -3.348 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -4.961 7.798 -1.597 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -3.046 9.516 -1.658 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -3.272 9.588 -3.395 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -4.515 11.423 -2.435 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -5.685 10.251 -3.009 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -5.963 9.361 -0.705 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -4.738 10.463 -0.110 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -6.945 11.295 0.316 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -6.133 12.324 -0.763 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -7.321 11.256 -1.339 1.00 0.00 H new ATOM 1104 N GLY B 14 -4.044 5.068 -0.977 1.00 0.00 N ATOM 1105 CA GLY B 14 -4.537 3.709 -0.712 1.00 0.00 C ATOM 1106 C GLY B 14 -4.828 3.384 0.753 1.00 0.00 C ATOM 1107 O GLY B 14 -4.741 4.242 1.632 1.00 0.00 O ATOM 0 H GLY B 14 -3.948 5.647 -0.143 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -5.450 3.555 -1.288 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -3.801 2.996 -1.084 1.00 0.00 H new ATOM 1111 N GLU B 15 -5.172 2.119 1.003 1.00 0.00 N ATOM 1112 CA GLU B 15 -5.503 1.544 2.322 1.00 0.00 C ATOM 1113 C GLU B 15 -5.036 0.092 2.419 1.00 0.00 C ATOM 1114 O GLU B 15 -5.214 -0.684 1.478 1.00 0.00 O ATOM 1115 CB GLU B 15 -7.020 1.552 2.581 1.00 0.00 C ATOM 1116 CG GLU B 15 -7.636 2.946 2.691 1.00 0.00 C ATOM 1117 CD GLU B 15 -9.142 2.830 2.883 1.00 0.00 C ATOM 1118 OE1 GLU B 15 -9.580 2.539 4.019 1.00 0.00 O ATOM 1119 OE2 GLU B 15 -9.885 3.032 1.897 1.00 0.00 O ATOM 0 H GLU B 15 -5.232 1.427 0.256 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.994 2.164 3.060 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -7.516 1.012 1.775 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -7.222 1.006 3.502 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -7.194 3.484 3.529 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -7.418 3.522 1.792 1.00 0.00 H new ATOM 1126 N THR B 16 -4.472 -0.290 3.561 1.00 0.00 N ATOM 1127 CA THR B 16 -3.997 -1.662 3.829 1.00 0.00 C ATOM 1128 C THR B 16 -4.349 -2.146 5.241 1.00 0.00 C ATOM 1129 O THR B 16 -4.696 -1.356 6.120 1.00 0.00 O ATOM 1130 CB THR B 16 -2.480 -1.840 3.592 1.00 0.00 C ATOM 1131 OG1 THR B 16 -1.704 -1.385 4.671 1.00 0.00 O ATOM 1132 CG2 THR B 16 -1.934 -1.135 2.351 1.00 0.00 C ATOM 0 H THR B 16 -4.326 0.347 4.344 1.00 0.00 H new ATOM 0 HA THR B 16 -4.529 -2.279 3.104 1.00 0.00 H new ATOM 0 HB THR B 16 -2.394 -2.919 3.461 1.00 0.00 H new ATOM 0 HG1 THR B 16 -0.754 -1.522 4.471 1.00 0.00 H new ATOM 0 HG21 THR B 16 -0.863 -1.318 2.270 1.00 0.00 H new ATOM 0 HG22 THR B 16 -2.436 -1.520 1.463 1.00 0.00 H new ATOM 0 HG23 THR B 16 -2.113 -0.063 2.433 1.00 0.00 H new ATOM 1140 N THR B 17 -4.276 -3.457 5.466 1.00 0.00 N ATOM 1141 CA THR B 17 -4.654 -4.130 6.719 1.00 0.00 C ATOM 1142 C THR B 17 -3.682 -5.279 7.025 1.00 0.00 C ATOM 1143 O THR B 17 -3.239 -5.985 6.117 1.00 0.00 O ATOM 1144 CB THR B 17 -6.099 -4.686 6.651 1.00 0.00 C ATOM 1145 OG1 THR B 17 -6.984 -3.839 5.944 1.00 0.00 O ATOM 1146 CG2 THR B 17 -6.722 -4.891 8.027 1.00 0.00 C ATOM 0 H THR B 17 -3.940 -4.109 4.757 1.00 0.00 H new ATOM 0 HA THR B 17 -4.605 -3.387 7.515 1.00 0.00 H new ATOM 0 HB THR B 17 -5.981 -5.638 6.134 1.00 0.00 H new ATOM 0 HG1 THR B 17 -7.879 -4.239 5.931 1.00 0.00 H new ATOM 0 HG21 THR B 17 -7.733 -5.282 7.914 1.00 0.00 H new ATOM 0 HG22 THR B 17 -6.121 -5.600 8.597 1.00 0.00 H new ATOM 0 HG23 THR B 17 -6.758 -3.938 8.556 1.00 0.00 H new ATOM 1154 N THR B 18 -3.352 -5.470 8.300 1.00 0.00 N ATOM 1155 CA THR B 18 -2.386 -6.462 8.810 1.00 0.00 C ATOM 1156 C THR B 18 -2.917 -7.162 10.071 1.00 0.00 C ATOM 1157 O THR B 18 -3.852 -6.674 10.713 1.00 0.00 O ATOM 1158 CB THR B 18 -1.020 -5.786 9.089 1.00 0.00 C ATOM 1159 OG1 THR B 18 0.012 -6.713 9.333 1.00 0.00 O ATOM 1160 CG2 THR B 18 -1.027 -4.859 10.307 1.00 0.00 C ATOM 0 H THR B 18 -3.766 -4.914 9.048 1.00 0.00 H new ATOM 0 HA THR B 18 -2.247 -7.225 8.044 1.00 0.00 H new ATOM 0 HB THR B 18 -0.842 -5.220 8.175 1.00 0.00 H new ATOM 0 HG1 THR B 18 -0.152 -7.529 8.816 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.037 -4.423 10.438 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.756 -4.063 10.155 1.00 0.00 H new ATOM 0 HG23 THR B 18 -1.293 -5.429 11.197 1.00 0.00 H new ATOM 1168 N GLU B 19 -2.318 -8.291 10.463 1.00 0.00 N ATOM 1169 CA GLU B 19 -2.583 -8.998 11.729 1.00 0.00 C ATOM 1170 C GLU B 19 -1.268 -9.305 12.437 1.00 0.00 C ATOM 1171 O GLU B 19 -0.473 -10.128 11.981 1.00 0.00 O ATOM 1172 CB GLU B 19 -3.391 -10.278 11.479 1.00 0.00 C ATOM 1173 CG GLU B 19 -3.864 -10.926 12.779 1.00 0.00 C ATOM 1174 CD GLU B 19 -4.672 -12.178 12.473 1.00 0.00 C ATOM 1175 OE1 GLU B 19 -4.060 -13.259 12.315 1.00 0.00 O ATOM 1176 OE2 GLU B 19 -5.918 -12.082 12.408 1.00 0.00 O ATOM 0 H GLU B 19 -1.612 -8.756 9.893 1.00 0.00 H new ATOM 0 HA GLU B 19 -3.180 -8.354 12.375 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -4.255 -10.044 10.856 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -2.780 -10.988 10.923 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -3.006 -11.180 13.401 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -4.472 -10.221 13.346 1.00 0.00 H new ATOM 1183 N ALA B 20 -1.045 -8.607 13.545 1.00 0.00 N ATOM 1184 CA ALA B 20 0.210 -8.570 14.278 1.00 0.00 C ATOM 1185 C ALA B 20 -0.013 -8.787 15.781 1.00 0.00 C ATOM 1186 O ALA B 20 -1.145 -8.766 16.282 1.00 0.00 O ATOM 1187 CB ALA B 20 0.862 -7.216 13.986 1.00 0.00 C ATOM 0 H ALA B 20 -1.767 -8.027 13.973 1.00 0.00 H new ATOM 0 HA ALA B 20 0.867 -9.379 13.958 1.00 0.00 H new ATOM 0 HB1 ALA B 20 1.810 -7.146 14.519 1.00 0.00 H new ATOM 0 HB2 ALA B 20 1.040 -7.121 12.915 1.00 0.00 H new ATOM 0 HB3 ALA B 20 0.201 -6.415 14.316 1.00 0.00 H new ATOM 1193 N VAL B 21 1.078 -9.008 16.510 1.00 0.00 N ATOM 1194 CA VAL B 21 1.018 -9.285 17.956 1.00 0.00 C ATOM 1195 C VAL B 21 0.568 -8.053 18.748 1.00 0.00 C ATOM 1196 O VAL B 21 -0.225 -8.196 19.684 1.00 0.00 O ATOM 1197 CB VAL B 21 2.342 -9.867 18.478 1.00 0.00 C ATOM 1198 CG1 VAL B 21 3.521 -8.961 18.134 1.00 0.00 C ATOM 1199 CG2 VAL B 21 2.331 -10.154 19.984 1.00 0.00 C ATOM 0 H VAL B 21 2.023 -9.002 16.127 1.00 0.00 H new ATOM 0 HA VAL B 21 0.259 -10.051 18.112 1.00 0.00 H new ATOM 0 HB VAL B 21 2.459 -10.824 17.969 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.442 -9.401 18.517 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.593 -8.853 17.052 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.371 -7.981 18.587 1.00 0.00 H new ATOM 0 HG21 VAL B 21 3.296 -10.563 20.284 1.00 0.00 H new ATOM 0 HG22 VAL B 21 2.144 -9.229 20.529 1.00 0.00 H new ATOM 0 HG23 VAL B 21 1.546 -10.875 20.211 1.00 0.00 H new ATOM 1209 N ASP B 22 0.967 -6.833 18.355 1.00 0.00 N ATOM 1210 CA ASP B 22 0.580 -5.566 18.984 1.00 0.00 C ATOM 1211 C ASP B 22 0.679 -4.413 17.969 1.00 0.00 C ATOM 1212 O ASP B 22 1.267 -4.528 16.889 1.00 0.00 O ATOM 1213 CB ASP B 22 1.548 -5.302 20.159 1.00 0.00 C ATOM 1214 CG ASP B 22 1.299 -4.010 20.963 1.00 0.00 C ATOM 1215 OD1 ASP B 22 0.312 -3.956 21.736 1.00 0.00 O ATOM 1216 OD2 ASP B 22 2.080 -3.046 20.780 1.00 0.00 O ATOM 0 H ASP B 22 1.592 -6.700 17.560 1.00 0.00 H new ATOM 0 HA ASP B 22 -0.449 -5.626 19.337 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.496 -6.148 20.844 1.00 0.00 H new ATOM 0 HB3 ASP B 22 2.564 -5.272 19.767 1.00 0.00 H new ATOM 1221 N ALA B 23 0.140 -3.285 18.400 1.00 0.00 N ATOM 1222 CA ALA B 23 0.132 -1.997 17.709 1.00 0.00 C ATOM 1223 C ALA B 23 1.535 -1.561 17.239 1.00 0.00 C ATOM 1224 O ALA B 23 1.669 -0.987 16.162 1.00 0.00 O ATOM 1225 CB ALA B 23 -0.495 -0.940 18.624 1.00 0.00 C ATOM 0 H ALA B 23 -0.336 -3.237 19.301 1.00 0.00 H new ATOM 0 HA ALA B 23 -0.466 -2.105 16.804 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -0.504 0.023 18.114 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -1.517 -1.231 18.869 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.089 -0.860 19.541 1.00 0.00 H new ATOM 1231 N ALA B 24 2.591 -1.881 17.992 1.00 0.00 N ATOM 1232 CA ALA B 24 3.972 -1.576 17.651 1.00 0.00 C ATOM 1233 C ALA B 24 4.506 -2.472 16.521 1.00 0.00 C ATOM 1234 O ALA B 24 5.273 -2.011 15.679 1.00 0.00 O ATOM 1235 CB ALA B 24 4.836 -1.714 18.909 1.00 0.00 C ATOM 0 H ALA B 24 2.500 -2.374 18.880 1.00 0.00 H new ATOM 0 HA ALA B 24 4.016 -0.552 17.279 1.00 0.00 H new ATOM 0 HB1 ALA B 24 5.874 -1.487 18.664 1.00 0.00 H new ATOM 0 HB2 ALA B 24 4.483 -1.019 19.671 1.00 0.00 H new ATOM 0 HB3 ALA B 24 4.767 -2.734 19.288 1.00 0.00 H new ATOM 1241 N THR B 25 4.084 -3.737 16.445 1.00 0.00 N ATOM 1242 CA THR B 25 4.419 -4.645 15.335 1.00 0.00 C ATOM 1243 C THR B 25 3.653 -4.284 14.056 1.00 0.00 C ATOM 1244 O THR B 25 4.252 -4.207 12.985 1.00 0.00 O ATOM 1245 CB THR B 25 4.154 -6.103 15.723 1.00 0.00 C ATOM 1246 OG1 THR B 25 4.760 -6.381 16.965 1.00 0.00 O ATOM 1247 CG2 THR B 25 4.703 -7.104 14.703 1.00 0.00 C ATOM 0 H THR B 25 3.494 -4.168 17.157 1.00 0.00 H new ATOM 0 HA THR B 25 5.483 -4.527 15.130 1.00 0.00 H new ATOM 0 HB THR B 25 3.071 -6.216 15.766 1.00 0.00 H new ATOM 0 HG1 THR B 25 5.292 -7.201 16.893 1.00 0.00 H new ATOM 0 HG21 THR B 25 4.484 -8.119 15.035 1.00 0.00 H new ATOM 0 HG22 THR B 25 4.235 -6.930 13.734 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.782 -6.977 14.613 1.00 0.00 H new ATOM 1255 N ALA B 26 2.358 -3.963 14.141 1.00 0.00 N ATOM 1256 CA ALA B 26 1.608 -3.434 12.990 1.00 0.00 C ATOM 1257 C ALA B 26 2.174 -2.097 12.462 1.00 0.00 C ATOM 1258 O ALA B 26 2.367 -1.932 11.256 1.00 0.00 O ATOM 1259 CB ALA B 26 0.148 -3.260 13.397 1.00 0.00 C ATOM 0 H ALA B 26 1.805 -4.059 14.993 1.00 0.00 H new ATOM 0 HA ALA B 26 1.702 -4.150 12.174 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.421 -2.868 12.554 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.264 -4.224 13.696 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.084 -2.563 14.233 1.00 0.00 H new ATOM 1265 N GLU B 27 2.538 -1.205 13.393 1.00 0.00 N ATOM 1266 CA GLU B 27 3.273 0.044 13.090 1.00 0.00 C ATOM 1267 C GLU B 27 4.623 -0.254 12.445 1.00 0.00 C ATOM 1268 O GLU B 27 4.982 0.387 11.460 1.00 0.00 O ATOM 1269 CB GLU B 27 3.476 0.943 14.321 1.00 0.00 C ATOM 1270 CG GLU B 27 3.907 2.356 13.922 1.00 0.00 C ATOM 1271 CD GLU B 27 4.360 3.142 15.141 1.00 0.00 C ATOM 1272 OE1 GLU B 27 3.499 3.625 15.908 1.00 0.00 O ATOM 1273 OE2 GLU B 27 5.591 3.306 15.304 1.00 0.00 O ATOM 0 H GLU B 27 2.333 -1.324 14.385 1.00 0.00 H new ATOM 0 HA GLU B 27 2.645 0.592 12.387 1.00 0.00 H new ATOM 0 HB2 GLU B 27 2.549 0.993 14.893 1.00 0.00 H new ATOM 0 HB3 GLU B 27 4.230 0.503 14.973 1.00 0.00 H new ATOM 0 HG2 GLU B 27 4.718 2.303 13.195 1.00 0.00 H new ATOM 0 HG3 GLU B 27 3.078 2.872 13.438 1.00 0.00 H new ATOM 1280 N LYS B 28 5.347 -1.268 12.927 1.00 0.00 N ATOM 1281 CA LYS B 28 6.593 -1.715 12.285 1.00 0.00 C ATOM 1282 C LYS B 28 6.370 -2.231 10.851 1.00 0.00 C ATOM 1283 O LYS B 28 7.032 -1.739 9.942 1.00 0.00 O ATOM 1284 CB LYS B 28 7.303 -2.750 13.173 1.00 0.00 C ATOM 1285 CG LYS B 28 8.659 -3.212 12.614 1.00 0.00 C ATOM 1286 CD LYS B 28 9.320 -4.208 13.578 1.00 0.00 C ATOM 1287 CE LYS B 28 10.649 -4.714 13.008 1.00 0.00 C ATOM 1288 NZ LYS B 28 11.299 -5.681 13.917 1.00 0.00 N ATOM 0 H LYS B 28 5.094 -1.798 13.761 1.00 0.00 H new ATOM 0 HA LYS B 28 7.245 -0.848 12.183 1.00 0.00 H new ATOM 0 HB2 LYS B 28 7.454 -2.323 14.165 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.655 -3.618 13.295 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.519 -3.678 11.639 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.311 -2.351 12.465 1.00 0.00 H new ATOM 0 HD2 LYS B 28 9.491 -3.729 14.542 1.00 0.00 H new ATOM 0 HD3 LYS B 28 8.650 -5.050 13.754 1.00 0.00 H new ATOM 0 HE2 LYS B 28 10.475 -5.184 12.040 1.00 0.00 H new ATOM 0 HE3 LYS B 28 11.317 -3.870 12.837 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 12.196 -6.002 13.499 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 11.488 -5.224 14.832 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 10.672 -6.498 14.061 1.00 0.00 H new ATOM 1302 N VAL B 29 5.436 -3.156 10.596 1.00 0.00 N ATOM 1303 CA VAL B 29 5.148 -3.646 9.226 1.00 0.00 C ATOM 1304 C VAL B 29 4.770 -2.489 8.288 1.00 0.00 C ATOM 1305 O VAL B 29 5.340 -2.354 7.204 1.00 0.00 O ATOM 1306 CB VAL B 29 4.042 -4.728 9.233 1.00 0.00 C ATOM 1307 CG1 VAL B 29 3.619 -5.170 7.825 1.00 0.00 C ATOM 1308 CG2 VAL B 29 4.511 -5.995 9.964 1.00 0.00 C ATOM 0 H VAL B 29 4.860 -3.587 11.319 1.00 0.00 H new ATOM 0 HA VAL B 29 6.062 -4.104 8.847 1.00 0.00 H new ATOM 0 HB VAL B 29 3.198 -4.259 9.738 1.00 0.00 H new ATOM 0 HG11 VAL B 29 2.841 -5.930 7.901 1.00 0.00 H new ATOM 0 HG12 VAL B 29 3.235 -4.311 7.274 1.00 0.00 H new ATOM 0 HG13 VAL B 29 4.480 -5.583 7.299 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.713 -6.738 9.953 1.00 0.00 H new ATOM 0 HG22 VAL B 29 5.390 -6.400 9.463 1.00 0.00 H new ATOM 0 HG23 VAL B 29 4.763 -5.748 10.995 1.00 0.00 H new ATOM 1318 N PHE B 30 3.880 -1.598 8.725 1.00 0.00 N ATOM 1319 CA PHE B 30 3.523 -0.417 7.939 1.00 0.00 C ATOM 1320 C PHE B 30 4.712 0.536 7.681 1.00 0.00 C ATOM 1321 O PHE B 30 4.862 1.037 6.566 1.00 0.00 O ATOM 1322 CB PHE B 30 2.372 0.334 8.609 1.00 0.00 C ATOM 1323 CG PHE B 30 1.060 -0.428 8.763 1.00 0.00 C ATOM 1324 CD1 PHE B 30 0.585 -1.287 7.746 1.00 0.00 C ATOM 1325 CD2 PHE B 30 0.290 -0.256 9.931 1.00 0.00 C ATOM 1326 CE1 PHE B 30 -0.639 -1.963 7.900 1.00 0.00 C ATOM 1327 CE2 PHE B 30 -0.937 -0.928 10.083 1.00 0.00 C ATOM 1328 CZ PHE B 30 -1.406 -1.772 9.061 1.00 0.00 C ATOM 0 H PHE B 30 3.393 -1.671 9.618 1.00 0.00 H new ATOM 0 HA PHE B 30 3.208 -0.781 6.961 1.00 0.00 H new ATOM 0 HB2 PHE B 30 2.701 0.650 9.599 1.00 0.00 H new ATOM 0 HB3 PHE B 30 2.175 1.239 8.035 1.00 0.00 H new ATOM 0 HD1 PHE B 30 1.165 -1.425 6.846 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.644 0.396 10.715 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -0.989 -2.629 7.125 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.518 -0.796 10.984 1.00 0.00 H new ATOM 0 HZ PHE B 30 -2.356 -2.274 9.169 1.00 0.00 H new ATOM 1338 N LYS B 31 5.594 0.741 8.666 1.00 0.00 N ATOM 1339 CA LYS B 31 6.829 1.523 8.495 1.00 0.00 C ATOM 1340 C LYS B 31 7.895 0.815 7.638 1.00 0.00 C ATOM 1341 O LYS B 31 8.711 1.488 7.010 1.00 0.00 O ATOM 1342 CB LYS B 31 7.430 1.908 9.856 1.00 0.00 C ATOM 1343 CG LYS B 31 6.667 3.084 10.480 1.00 0.00 C ATOM 1344 CD LYS B 31 7.249 3.480 11.840 1.00 0.00 C ATOM 1345 CE LYS B 31 6.566 4.760 12.333 1.00 0.00 C ATOM 1346 NZ LYS B 31 7.015 5.130 13.688 1.00 0.00 N ATOM 0 H LYS B 31 5.473 0.369 9.608 1.00 0.00 H new ATOM 0 HA LYS B 31 6.533 2.422 7.954 1.00 0.00 H new ATOM 0 HB2 LYS B 31 7.397 1.050 10.528 1.00 0.00 H new ATOM 0 HB3 LYS B 31 8.479 2.175 9.732 1.00 0.00 H new ATOM 0 HG2 LYS B 31 6.703 3.940 9.806 1.00 0.00 H new ATOM 0 HG3 LYS B 31 5.617 2.815 10.598 1.00 0.00 H new ATOM 0 HD2 LYS B 31 7.100 2.675 12.560 1.00 0.00 H new ATOM 0 HD3 LYS B 31 8.324 3.638 11.756 1.00 0.00 H new ATOM 0 HE2 LYS B 31 6.781 5.576 11.643 1.00 0.00 H new ATOM 0 HE3 LYS B 31 5.485 4.619 12.334 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 6.739 6.112 13.889 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 6.573 4.497 14.385 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 8.050 5.042 13.747 1.00 0.00 H new ATOM 1360 N GLN B 32 7.901 -0.518 7.564 1.00 0.00 N ATOM 1361 CA GLN B 32 8.724 -1.298 6.638 1.00 0.00 C ATOM 1362 C GLN B 32 8.230 -1.178 5.186 1.00 0.00 C ATOM 1363 O GLN B 32 9.029 -0.931 4.281 1.00 0.00 O ATOM 1364 CB GLN B 32 8.719 -2.771 7.100 1.00 0.00 C ATOM 1365 CG GLN B 32 9.606 -3.036 8.327 1.00 0.00 C ATOM 1366 CD GLN B 32 11.036 -2.626 8.098 1.00 0.00 C ATOM 1367 OE1 GLN B 32 11.604 -1.816 8.821 1.00 0.00 O ATOM 1368 NE2 GLN B 32 11.645 -3.140 7.057 1.00 0.00 N ATOM 0 H GLN B 32 7.317 -1.101 8.164 1.00 0.00 H new ATOM 0 HA GLN B 32 9.740 -0.904 6.652 1.00 0.00 H new ATOM 0 HB2 GLN B 32 7.696 -3.067 7.332 1.00 0.00 H new ATOM 0 HB3 GLN B 32 9.054 -3.402 6.277 1.00 0.00 H new ATOM 0 HG2 GLN B 32 9.208 -2.493 9.184 1.00 0.00 H new ATOM 0 HG3 GLN B 32 9.570 -4.097 8.576 1.00 0.00 H new ATOM 0 HE21 GLN B 32 11.160 -3.813 6.464 1.00 0.00 H new ATOM 0 HE22 GLN B 32 12.604 -2.867 6.841 1.00 0.00 H new ATOM 1377 N TYR B 33 6.918 -1.293 4.949 1.00 0.00 N ATOM 1378 CA TYR B 33 6.317 -1.134 3.614 1.00 0.00 C ATOM 1379 C TYR B 33 6.400 0.310 3.070 1.00 0.00 C ATOM 1380 O TYR B 33 6.780 0.527 1.918 1.00 0.00 O ATOM 1381 CB TYR B 33 4.846 -1.595 3.650 1.00 0.00 C ATOM 1382 CG TYR B 33 4.630 -3.074 3.366 1.00 0.00 C ATOM 1383 CD1 TYR B 33 5.164 -4.061 4.217 1.00 0.00 C ATOM 1384 CD2 TYR B 33 3.879 -3.465 2.238 1.00 0.00 C ATOM 1385 CE1 TYR B 33 4.956 -5.425 3.938 1.00 0.00 C ATOM 1386 CE2 TYR B 33 3.675 -4.829 1.961 1.00 0.00 C ATOM 1387 CZ TYR B 33 4.215 -5.808 2.809 1.00 0.00 C ATOM 1388 OH TYR B 33 4.019 -7.129 2.547 1.00 0.00 O ATOM 0 H TYR B 33 6.237 -1.500 5.680 1.00 0.00 H new ATOM 0 HA TYR B 33 6.897 -1.756 2.933 1.00 0.00 H new ATOM 0 HB2 TYR B 33 4.432 -1.365 4.632 1.00 0.00 H new ATOM 0 HB3 TYR B 33 4.281 -1.014 2.921 1.00 0.00 H new ATOM 0 HD1 TYR B 33 5.735 -3.770 5.086 1.00 0.00 H new ATOM 0 HD2 TYR B 33 3.459 -2.715 1.585 1.00 0.00 H new ATOM 0 HE1 TYR B 33 5.367 -6.178 4.594 1.00 0.00 H new ATOM 0 HE2 TYR B 33 3.102 -5.123 1.094 1.00 0.00 H new ATOM 0 HH TYR B 33 3.485 -7.225 1.731 1.00 0.00 H new ATOM 1398 N PHE B 34 6.065 1.256 3.946 1.00 0.00 N ATOM 1399 CA PHE B 34 5.854 2.677 3.618 1.00 0.00 C ATOM 1400 C PHE B 34 6.895 3.640 4.228 1.00 0.00 C ATOM 1401 O PHE B 34 6.577 4.760 4.636 1.00 0.00 O ATOM 1402 CB PHE B 34 4.386 3.058 3.864 1.00 0.00 C ATOM 1403 CG PHE B 34 3.398 2.127 3.178 1.00 0.00 C ATOM 1404 CD1 PHE B 34 3.466 1.932 1.782 1.00 0.00 C ATOM 1405 CD2 PHE B 34 2.440 1.421 3.931 1.00 0.00 C ATOM 1406 CE1 PHE B 34 2.598 1.025 1.149 1.00 0.00 C ATOM 1407 CE2 PHE B 34 1.561 0.525 3.295 1.00 0.00 C ATOM 1408 CZ PHE B 34 1.644 0.323 1.905 1.00 0.00 C ATOM 0 H PHE B 34 5.927 1.055 4.936 1.00 0.00 H new ATOM 0 HA PHE B 34 6.043 2.804 2.552 1.00 0.00 H new ATOM 0 HB2 PHE B 34 4.192 3.055 4.937 1.00 0.00 H new ATOM 0 HB3 PHE B 34 4.219 4.076 3.513 1.00 0.00 H new ATOM 0 HD1 PHE B 34 4.188 2.482 1.197 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.380 1.568 4.999 1.00 0.00 H new ATOM 0 HE1 PHE B 34 2.664 0.868 0.083 1.00 0.00 H new ATOM 0 HE2 PHE B 34 0.822 -0.008 3.874 1.00 0.00 H new ATOM 0 HZ PHE B 34 0.975 -0.371 1.419 1.00 0.00 H new ATOM 1418 N ASN B 35 8.156 3.200 4.286 1.00 0.00 N ATOM 1419 CA ASN B 35 9.270 3.921 4.900 1.00 0.00 C ATOM 1420 C ASN B 35 9.557 5.314 4.286 1.00 0.00 C ATOM 1421 O ASN B 35 9.605 6.315 5.006 1.00 0.00 O ATOM 1422 CB ASN B 35 10.505 3.005 4.809 1.00 0.00 C ATOM 1423 CG ASN B 35 11.514 3.343 5.886 1.00 0.00 C ATOM 1424 OD1 ASN B 35 12.505 4.028 5.660 1.00 0.00 O ATOM 1425 ND2 ASN B 35 11.269 2.868 7.089 1.00 0.00 N ATOM 0 H ASN B 35 8.436 2.302 3.893 1.00 0.00 H new ATOM 0 HA ASN B 35 9.004 4.144 5.933 1.00 0.00 H new ATOM 0 HB2 ASN B 35 10.198 1.964 4.908 1.00 0.00 H new ATOM 0 HB3 ASN B 35 10.967 3.109 3.827 1.00 0.00 H new ATOM 0 HD21 ASN B 35 11.910 3.068 7.857 1.00 0.00 H new ATOM 0 HD22 ASN B 35 10.438 2.300 7.254 1.00 0.00 H new ATOM 1432 N ASP B 36 9.755 5.365 2.957 1.00 0.00 N ATOM 1433 CA ASP B 36 10.205 6.550 2.188 1.00 0.00 C ATOM 1434 C ASP B 36 10.017 6.384 0.662 1.00 0.00 C ATOM 1435 O ASP B 36 10.809 6.870 -0.147 1.00 0.00 O ATOM 1436 CB ASP B 36 11.683 6.832 2.533 1.00 0.00 C ATOM 1437 CG ASP B 36 12.254 8.170 2.004 1.00 0.00 C ATOM 1438 OD1 ASP B 36 11.547 9.206 2.052 1.00 0.00 O ATOM 1439 OD2 ASP B 36 13.438 8.192 1.584 1.00 0.00 O ATOM 0 H ASP B 36 9.601 4.552 2.361 1.00 0.00 H new ATOM 0 HA ASP B 36 9.582 7.397 2.474 1.00 0.00 H new ATOM 0 HB2 ASP B 36 11.793 6.815 3.617 1.00 0.00 H new ATOM 0 HB3 ASP B 36 12.291 6.018 2.138 1.00 0.00 H new ATOM 1444 N ASN B 37 8.978 5.653 0.255 1.00 0.00 N ATOM 1445 CA ASN B 37 8.661 5.452 -1.173 1.00 0.00 C ATOM 1446 C ASN B 37 8.268 6.786 -1.865 1.00 0.00 C ATOM 1447 O ASN B 37 8.532 7.014 -3.048 1.00 0.00 O ATOM 1448 CB ASN B 37 7.525 4.422 -1.300 1.00 0.00 C ATOM 1449 CG ASN B 37 7.775 3.095 -0.596 1.00 0.00 C ATOM 1450 OD1 ASN B 37 8.898 2.702 -0.292 1.00 0.00 O ATOM 1451 ND2 ASN B 37 6.705 2.391 -0.284 1.00 0.00 N ATOM 0 H ASN B 37 8.334 5.185 0.893 1.00 0.00 H new ATOM 0 HA ASN B 37 9.552 5.078 -1.677 1.00 0.00 H new ATOM 0 HB2 ASN B 37 6.611 4.861 -0.900 1.00 0.00 H new ATOM 0 HB3 ASN B 37 7.349 4.227 -2.358 1.00 0.00 H new ATOM 0 HD21 ASN B 37 6.804 1.508 0.216 1.00 0.00 H new ATOM 0 HD22 ASN B 37 5.778 2.730 -0.543 1.00 0.00 H new ATOM 1458 N GLY B 38 7.621 7.651 -1.076 1.00 0.00 N ATOM 1459 CA GLY B 38 7.041 8.944 -1.492 1.00 0.00 C ATOM 1460 C GLY B 38 5.930 9.492 -0.582 1.00 0.00 C ATOM 1461 O GLY B 38 5.070 10.251 -1.031 1.00 0.00 O ATOM 0 H GLY B 38 7.478 7.465 -0.083 1.00 0.00 H new ATOM 0 HA2 GLY B 38 7.842 9.682 -1.544 1.00 0.00 H new ATOM 0 HA3 GLY B 38 6.641 8.836 -2.500 1.00 0.00 H new ATOM 1465 N VAL B 39 5.909 9.059 0.682 1.00 0.00 N ATOM 1466 CA VAL B 39 4.848 9.332 1.674 1.00 0.00 C ATOM 1467 C VAL B 39 5.421 9.391 3.107 1.00 0.00 C ATOM 1468 O VAL B 39 4.817 8.955 4.086 1.00 0.00 O ATOM 1469 CB VAL B 39 3.670 8.347 1.477 1.00 0.00 C ATOM 1470 CG1 VAL B 39 4.037 6.883 1.753 1.00 0.00 C ATOM 1471 CG2 VAL B 39 2.413 8.742 2.257 1.00 0.00 C ATOM 0 H VAL B 39 6.659 8.484 1.065 1.00 0.00 H new ATOM 0 HA VAL B 39 4.432 10.326 1.510 1.00 0.00 H new ATOM 0 HB VAL B 39 3.437 8.425 0.415 1.00 0.00 H new ATOM 0 HG11 VAL B 39 3.162 6.252 1.594 1.00 0.00 H new ATOM 0 HG12 VAL B 39 4.834 6.574 1.077 1.00 0.00 H new ATOM 0 HG13 VAL B 39 4.376 6.781 2.784 1.00 0.00 H new ATOM 0 HG21 VAL B 39 1.626 8.010 2.074 1.00 0.00 H new ATOM 0 HG22 VAL B 39 2.640 8.772 3.323 1.00 0.00 H new ATOM 0 HG23 VAL B 39 2.076 9.726 1.930 1.00 0.00 H new ATOM 1481 N ASP B 40 6.631 9.948 3.232 1.00 0.00 N ATOM 1482 CA ASP B 40 7.365 10.266 4.482 1.00 0.00 C ATOM 1483 C ASP B 40 6.704 11.393 5.326 1.00 0.00 C ATOM 1484 O ASP B 40 7.367 12.286 5.862 1.00 0.00 O ATOM 1485 CB ASP B 40 8.831 10.585 4.108 1.00 0.00 C ATOM 1486 CG ASP B 40 9.792 10.760 5.309 1.00 0.00 C ATOM 1487 OD1 ASP B 40 9.721 9.966 6.280 1.00 0.00 O ATOM 1488 OD2 ASP B 40 10.645 11.682 5.270 1.00 0.00 O ATOM 0 H ASP B 40 7.170 10.211 2.407 1.00 0.00 H new ATOM 0 HA ASP B 40 7.330 9.397 5.139 1.00 0.00 H new ATOM 0 HB2 ASP B 40 9.210 9.784 3.473 1.00 0.00 H new ATOM 0 HB3 ASP B 40 8.847 11.498 3.513 1.00 0.00 H new ATOM 1493 N GLY B 41 5.374 11.381 5.392 1.00 0.00 N ATOM 1494 CA GLY B 41 4.518 12.434 5.945 1.00 0.00 C ATOM 1495 C GLY B 41 4.236 12.320 7.447 1.00 0.00 C ATOM 1496 O GLY B 41 4.866 11.544 8.172 1.00 0.00 O ATOM 0 H GLY B 41 4.832 10.591 5.041 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.985 13.400 5.751 1.00 0.00 H new ATOM 0 HA3 GLY B 41 3.568 12.426 5.411 1.00 0.00 H new ATOM 1500 N GLU B 42 3.269 13.110 7.922 1.00 0.00 N ATOM 1501 CA GLU B 42 2.762 13.083 9.311 1.00 0.00 C ATOM 1502 C GLU B 42 1.967 11.803 9.587 1.00 0.00 C ATOM 1503 O GLU B 42 1.008 11.514 8.874 1.00 0.00 O ATOM 1504 CB GLU B 42 1.881 14.318 9.566 1.00 0.00 C ATOM 1505 CG GLU B 42 1.421 14.432 11.018 1.00 0.00 C ATOM 1506 CD GLU B 42 0.702 15.756 11.229 1.00 0.00 C ATOM 1507 OE1 GLU B 42 -0.514 15.829 10.943 1.00 0.00 O ATOM 1508 OE2 GLU B 42 1.355 16.721 11.687 1.00 0.00 O ATOM 0 H GLU B 42 2.800 13.806 7.342 1.00 0.00 H new ATOM 0 HA GLU B 42 3.616 13.100 9.988 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.436 15.216 9.295 1.00 0.00 H new ATOM 0 HB3 GLU B 42 1.007 14.275 8.916 1.00 0.00 H new ATOM 0 HG2 GLU B 42 0.757 13.604 11.265 1.00 0.00 H new ATOM 0 HG3 GLU B 42 2.279 14.363 11.687 1.00 0.00 H new ATOM 1515 N TRP B 43 2.354 11.052 10.619 1.00 0.00 N ATOM 1516 CA TRP B 43 1.612 9.879 11.110 1.00 0.00 C ATOM 1517 C TRP B 43 0.591 10.267 12.203 1.00 0.00 C ATOM 1518 O TRP B 43 0.861 11.121 13.054 1.00 0.00 O ATOM 1519 CB TRP B 43 2.585 8.816 11.654 1.00 0.00 C ATOM 1520 CG TRP B 43 3.358 8.032 10.630 1.00 0.00 C ATOM 1521 CD1 TRP B 43 4.287 8.542 9.791 1.00 0.00 C ATOM 1522 CD2 TRP B 43 3.286 6.601 10.311 1.00 0.00 C ATOM 1523 NE1 TRP B 43 4.774 7.552 8.964 1.00 0.00 N ATOM 1524 CE2 TRP B 43 4.183 6.337 9.229 1.00 0.00 C ATOM 1525 CE3 TRP B 43 2.545 5.500 10.804 1.00 0.00 C ATOM 1526 CZ2 TRP B 43 4.322 5.065 8.655 1.00 0.00 C ATOM 1527 CZ3 TRP B 43 2.683 4.215 10.241 1.00 0.00 C ATOM 1528 CH2 TRP B 43 3.560 4.001 9.163 1.00 0.00 C ATOM 0 H TRP B 43 3.205 11.241 11.149 1.00 0.00 H new ATOM 0 HA TRP B 43 1.061 9.464 10.266 1.00 0.00 H new ATOM 0 HB2 TRP B 43 3.297 9.311 12.315 1.00 0.00 H new ATOM 0 HB3 TRP B 43 2.018 8.114 12.265 1.00 0.00 H new ATOM 0 HD1 TRP B 43 4.602 9.575 9.771 1.00 0.00 H new ATOM 0 HE1 TRP B 43 5.483 7.701 8.246 1.00 0.00 H new ATOM 0 HE3 TRP B 43 1.861 5.647 11.627 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 5.005 4.906 7.834 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 2.112 3.390 10.640 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.647 3.017 8.726 1.00 0.00 H new ATOM 1539 N THR B 44 -0.556 9.589 12.215 1.00 0.00 N ATOM 1540 CA THR B 44 -1.635 9.683 13.220 1.00 0.00 C ATOM 1541 C THR B 44 -2.166 8.269 13.524 1.00 0.00 C ATOM 1542 O THR B 44 -2.086 7.394 12.656 1.00 0.00 O ATOM 1543 CB THR B 44 -2.792 10.563 12.688 1.00 0.00 C ATOM 1544 OG1 THR B 44 -2.325 11.818 12.236 1.00 0.00 O ATOM 1545 CG2 THR B 44 -3.887 10.854 13.718 1.00 0.00 C ATOM 0 H THR B 44 -0.778 8.916 11.482 1.00 0.00 H new ATOM 0 HA THR B 44 -1.238 10.137 14.128 1.00 0.00 H new ATOM 0 HB THR B 44 -3.214 9.970 11.877 1.00 0.00 H new ATOM 0 HG1 THR B 44 -3.080 12.348 11.905 1.00 0.00 H new ATOM 0 HG21 THR B 44 -4.658 11.476 13.263 1.00 0.00 H new ATOM 0 HG22 THR B 44 -4.329 9.916 14.054 1.00 0.00 H new ATOM 0 HG23 THR B 44 -3.455 11.378 14.571 1.00 0.00 H new ATOM 1553 N TYR B 45 -2.731 8.012 14.709 1.00 0.00 N ATOM 1554 CA TYR B 45 -3.331 6.718 15.088 1.00 0.00 C ATOM 1555 C TYR B 45 -4.572 6.903 15.984 1.00 0.00 C ATOM 1556 O TYR B 45 -4.556 7.705 16.923 1.00 0.00 O ATOM 1557 CB TYR B 45 -2.279 5.872 15.826 1.00 0.00 C ATOM 1558 CG TYR B 45 -2.783 4.548 16.387 1.00 0.00 C ATOM 1559 CD1 TYR B 45 -3.132 3.499 15.517 1.00 0.00 C ATOM 1560 CD2 TYR B 45 -2.891 4.353 17.779 1.00 0.00 C ATOM 1561 CE1 TYR B 45 -3.584 2.268 16.027 1.00 0.00 C ATOM 1562 CE2 TYR B 45 -3.337 3.117 18.288 1.00 0.00 C ATOM 1563 CZ TYR B 45 -3.689 2.077 17.413 1.00 0.00 C ATOM 1564 OH TYR B 45 -4.136 0.886 17.902 1.00 0.00 O ATOM 0 H TYR B 45 -2.787 8.710 15.451 1.00 0.00 H new ATOM 0 HA TYR B 45 -3.654 6.212 14.178 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -1.456 5.667 15.141 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -1.872 6.463 16.646 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -3.052 3.640 14.449 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -2.631 5.153 18.457 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -3.850 1.469 15.351 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -3.408 2.969 19.355 1.00 0.00 H new ATOM 0 HH TYR B 45 -4.527 1.023 18.790 1.00 0.00 H new ATOM 1574 N ASP B 46 -5.637 6.147 15.698 1.00 0.00 N ATOM 1575 CA ASP B 46 -6.880 6.048 16.484 1.00 0.00 C ATOM 1576 C ASP B 46 -7.082 4.618 16.990 1.00 0.00 C ATOM 1577 O ASP B 46 -7.417 3.720 16.208 1.00 0.00 O ATOM 1578 CB ASP B 46 -8.075 6.510 15.629 1.00 0.00 C ATOM 1579 CG ASP B 46 -8.111 8.036 15.408 1.00 0.00 C ATOM 1580 OD1 ASP B 46 -8.580 8.765 16.318 1.00 0.00 O ATOM 1581 OD2 ASP B 46 -7.697 8.508 14.320 1.00 0.00 O ATOM 0 H ASP B 46 -5.660 5.554 14.868 1.00 0.00 H new ATOM 0 HA ASP B 46 -6.806 6.700 17.354 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -8.036 6.010 14.661 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -9.001 6.197 16.112 1.00 0.00 H new ATOM 1586 N ASP B 47 -6.892 4.379 18.293 1.00 0.00 N ATOM 1587 CA ASP B 47 -6.948 3.037 18.904 1.00 0.00 C ATOM 1588 C ASP B 47 -8.368 2.450 18.963 1.00 0.00 C ATOM 1589 O ASP B 47 -8.554 1.240 18.854 1.00 0.00 O ATOM 1590 CB ASP B 47 -6.341 3.136 20.315 1.00 0.00 C ATOM 1591 CG ASP B 47 -6.084 1.760 20.948 1.00 0.00 C ATOM 1592 OD1 ASP B 47 -5.303 0.964 20.373 1.00 0.00 O ATOM 1593 OD2 ASP B 47 -6.705 1.450 21.993 1.00 0.00 O ATOM 0 H ASP B 47 -6.692 5.119 18.965 1.00 0.00 H new ATOM 0 HA ASP B 47 -6.379 2.351 18.277 1.00 0.00 H new ATOM 0 HB2 ASP B 47 -5.403 3.689 20.265 1.00 0.00 H new ATOM 0 HB3 ASP B 47 -7.013 3.706 20.956 1.00 0.00 H new ATOM 1598 N ALA B 48 -9.379 3.315 19.012 1.00 0.00 N ATOM 1599 CA ALA B 48 -10.819 2.992 18.900 1.00 0.00 C ATOM 1600 C ALA B 48 -11.215 2.264 17.598 1.00 0.00 C ATOM 1601 O ALA B 48 -12.315 1.726 17.451 1.00 0.00 O ATOM 1602 CB ALA B 48 -11.581 4.319 18.927 1.00 0.00 C ATOM 0 H ALA B 48 -9.219 4.314 19.137 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.059 2.319 19.723 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -12.651 4.126 18.846 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -11.375 4.838 19.863 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -11.260 4.940 18.090 1.00 0.00 H new ATOM 1608 N THR B 49 -10.303 2.345 16.638 1.00 0.00 N ATOM 1609 CA THR B 49 -10.436 1.853 15.267 1.00 0.00 C ATOM 1610 C THR B 49 -9.268 0.969 14.811 1.00 0.00 C ATOM 1611 O THR B 49 -9.236 0.538 13.655 1.00 0.00 O ATOM 1612 CB THR B 49 -10.631 3.043 14.312 1.00 0.00 C ATOM 1613 OG1 THR B 49 -9.439 3.772 14.135 1.00 0.00 O ATOM 1614 CG2 THR B 49 -11.725 4.023 14.740 1.00 0.00 C ATOM 0 H THR B 49 -9.396 2.781 16.802 1.00 0.00 H new ATOM 0 HA THR B 49 -11.314 1.207 15.244 1.00 0.00 H new ATOM 0 HB THR B 49 -10.943 2.579 13.376 1.00 0.00 H new ATOM 0 HG1 THR B 49 -8.857 3.641 14.912 1.00 0.00 H new ATOM 0 HG21 THR B 49 -11.795 4.831 14.011 1.00 0.00 H new ATOM 0 HG22 THR B 49 -12.680 3.500 14.796 1.00 0.00 H new ATOM 0 HG23 THR B 49 -11.480 4.437 15.718 1.00 0.00 H new ATOM 1622 N LYS B 50 -8.279 0.720 15.683 1.00 0.00 N ATOM 1623 CA LYS B 50 -6.991 0.079 15.367 1.00 0.00 C ATOM 1624 C LYS B 50 -6.367 0.553 14.036 1.00 0.00 C ATOM 1625 O LYS B 50 -5.772 -0.232 13.291 1.00 0.00 O ATOM 1626 CB LYS B 50 -7.116 -1.453 15.477 1.00 0.00 C ATOM 1627 CG LYS B 50 -7.640 -1.970 16.827 1.00 0.00 C ATOM 1628 CD LYS B 50 -6.834 -1.457 18.029 1.00 0.00 C ATOM 1629 CE LYS B 50 -7.348 -2.077 19.335 1.00 0.00 C ATOM 1630 NZ LYS B 50 -7.303 -1.120 20.453 1.00 0.00 N ATOM 0 H LYS B 50 -8.357 0.970 16.669 1.00 0.00 H new ATOM 0 HA LYS B 50 -6.272 0.408 16.118 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -7.781 -1.805 14.688 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -6.138 -1.896 15.291 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -8.682 -1.671 16.943 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -7.620 -3.060 16.823 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -5.780 -1.700 17.896 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -6.906 -0.371 18.084 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -8.372 -2.423 19.194 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -6.747 -2.952 19.582 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -7.545 -1.609 21.338 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -6.346 -0.720 20.529 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -7.986 -0.355 20.282 1.00 0.00 H new ATOM 1644 N THR B 51 -6.534 1.841 13.718 1.00 0.00 N ATOM 1645 CA THR B 51 -6.168 2.385 12.391 1.00 0.00 C ATOM 1646 C THR B 51 -5.124 3.493 12.507 1.00 0.00 C ATOM 1647 O THR B 51 -5.260 4.418 13.313 1.00 0.00 O ATOM 1648 CB THR B 51 -7.397 2.904 11.611 1.00 0.00 C ATOM 1649 OG1 THR B 51 -8.350 1.880 11.412 1.00 0.00 O ATOM 1650 CG2 THR B 51 -7.064 3.438 10.212 1.00 0.00 C ATOM 0 H THR B 51 -6.921 2.534 14.359 1.00 0.00 H new ATOM 0 HA THR B 51 -5.739 1.554 11.831 1.00 0.00 H new ATOM 0 HB THR B 51 -7.781 3.713 12.233 1.00 0.00 H new ATOM 0 HG1 THR B 51 -8.596 1.490 12.277 1.00 0.00 H new ATOM 0 HG21 THR B 51 -7.977 3.784 9.728 1.00 0.00 H new ATOM 0 HG22 THR B 51 -6.362 4.267 10.297 1.00 0.00 H new ATOM 0 HG23 THR B 51 -6.616 2.643 9.616 1.00 0.00 H new ATOM 1658 N PHE B 52 -4.097 3.424 11.660 1.00 0.00 N ATOM 1659 CA PHE B 52 -3.048 4.418 11.453 1.00 0.00 C ATOM 1660 C PHE B 52 -3.349 5.199 10.158 1.00 0.00 C ATOM 1661 O PHE B 52 -3.866 4.635 9.193 1.00 0.00 O ATOM 1662 CB PHE B 52 -1.696 3.702 11.287 1.00 0.00 C ATOM 1663 CG PHE B 52 -1.185 2.976 12.519 1.00 0.00 C ATOM 1664 CD1 PHE B 52 -1.577 1.647 12.777 1.00 0.00 C ATOM 1665 CD2 PHE B 52 -0.310 3.629 13.407 1.00 0.00 C ATOM 1666 CE1 PHE B 52 -1.105 0.977 13.920 1.00 0.00 C ATOM 1667 CE2 PHE B 52 0.156 2.962 14.553 1.00 0.00 C ATOM 1668 CZ PHE B 52 -0.243 1.638 14.811 1.00 0.00 C ATOM 0 H PHE B 52 -3.969 2.611 11.057 1.00 0.00 H new ATOM 0 HA PHE B 52 -3.011 5.095 12.306 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -1.783 2.983 10.473 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -0.950 4.437 10.984 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -2.243 1.141 12.094 1.00 0.00 H new ATOM 0 HD2 PHE B 52 0.004 4.643 13.208 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -1.404 -0.043 14.112 1.00 0.00 H new ATOM 0 HE2 PHE B 52 0.822 3.467 15.237 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.113 1.129 15.694 1.00 0.00 H new ATOM 1678 N THR B 53 -3.024 6.485 10.114 1.00 0.00 N ATOM 1679 CA THR B 53 -3.126 7.324 8.905 1.00 0.00 C ATOM 1680 C THR B 53 -1.800 8.045 8.652 1.00 0.00 C ATOM 1681 O THR B 53 -1.163 8.513 9.598 1.00 0.00 O ATOM 1682 CB THR B 53 -4.260 8.361 9.050 1.00 0.00 C ATOM 1683 OG1 THR B 53 -5.490 7.723 9.320 1.00 0.00 O ATOM 1684 CG2 THR B 53 -4.472 9.229 7.806 1.00 0.00 C ATOM 0 H THR B 53 -2.675 6.992 10.927 1.00 0.00 H new ATOM 0 HA THR B 53 -3.353 6.675 8.059 1.00 0.00 H new ATOM 0 HB THR B 53 -3.943 9.002 9.873 1.00 0.00 H new ATOM 0 HG1 THR B 53 -6.195 8.397 9.410 1.00 0.00 H new ATOM 0 HG21 THR B 53 -5.285 9.932 7.987 1.00 0.00 H new ATOM 0 HG22 THR B 53 -3.558 9.781 7.587 1.00 0.00 H new ATOM 0 HG23 THR B 53 -4.724 8.593 6.957 1.00 0.00 H new ATOM 1692 N VAL B 54 -1.392 8.157 7.384 1.00 0.00 N ATOM 1693 CA VAL B 54 -0.186 8.893 6.944 1.00 0.00 C ATOM 1694 C VAL B 54 -0.560 9.891 5.847 1.00 0.00 C ATOM 1695 O VAL B 54 -1.254 9.524 4.895 1.00 0.00 O ATOM 1696 CB VAL B 54 0.926 7.956 6.431 1.00 0.00 C ATOM 1697 CG1 VAL B 54 2.234 8.732 6.219 1.00 0.00 C ATOM 1698 CG2 VAL B 54 1.217 6.831 7.427 1.00 0.00 C ATOM 0 H VAL B 54 -1.900 7.730 6.609 1.00 0.00 H new ATOM 0 HA VAL B 54 0.206 9.417 7.816 1.00 0.00 H new ATOM 0 HB VAL B 54 0.569 7.536 5.491 1.00 0.00 H new ATOM 0 HG11 VAL B 54 3.006 8.053 5.857 1.00 0.00 H new ATOM 0 HG12 VAL B 54 2.073 9.522 5.486 1.00 0.00 H new ATOM 0 HG13 VAL B 54 2.553 9.173 7.164 1.00 0.00 H new ATOM 0 HG21 VAL B 54 2.006 6.190 7.032 1.00 0.00 H new ATOM 0 HG22 VAL B 54 1.539 7.260 8.376 1.00 0.00 H new ATOM 0 HG23 VAL B 54 0.314 6.241 7.583 1.00 0.00 H new ATOM 1708 N THR B 55 -0.123 11.143 5.991 1.00 0.00 N ATOM 1709 CA THR B 55 -0.491 12.247 5.088 1.00 0.00 C ATOM 1710 C THR B 55 0.720 13.104 4.684 1.00 0.00 C ATOM 1711 O THR B 55 1.414 13.669 5.536 1.00 0.00 O ATOM 1712 CB THR B 55 -1.624 13.107 5.685 1.00 0.00 C ATOM 1713 OG1 THR B 55 -2.774 12.321 5.922 1.00 0.00 O ATOM 1714 CG2 THR B 55 -2.062 14.250 4.765 1.00 0.00 C ATOM 0 H THR B 55 0.503 11.427 6.744 1.00 0.00 H new ATOM 0 HA THR B 55 -0.868 11.793 4.171 1.00 0.00 H new ATOM 0 HB THR B 55 -1.213 13.520 6.606 1.00 0.00 H new ATOM 0 HG1 THR B 55 -3.482 12.883 6.302 1.00 0.00 H new ATOM 0 HG21 THR B 55 -2.861 14.816 5.243 1.00 0.00 H new ATOM 0 HG22 THR B 55 -1.215 14.909 4.574 1.00 0.00 H new ATOM 0 HG23 THR B 55 -2.422 13.840 3.822 1.00 0.00 H new ATOM 1722 N GLU B 56 0.952 13.201 3.369 1.00 0.00 N ATOM 1723 CA GLU B 56 2.028 13.926 2.681 1.00 0.00 C ATOM 1724 C GLU B 56 1.442 14.739 1.520 1.00 0.00 C ATOM 1725 O GLU B 56 1.474 15.985 1.609 1.00 0.00 O ATOM 1726 CB GLU B 56 3.070 12.899 2.217 1.00 0.00 C ATOM 1727 CG GLU B 56 4.219 13.468 1.398 1.00 0.00 C ATOM 1728 CD GLU B 56 5.197 14.274 2.241 1.00 0.00 C ATOM 1729 OE1 GLU B 56 6.121 13.657 2.815 1.00 0.00 O ATOM 1730 OE2 GLU B 56 5.076 15.519 2.287 1.00 0.00 O ATOM 1731 OXT GLU B 56 0.910 14.134 0.564 1.00 0.00 O ATOM 0 H GLU B 56 0.339 12.734 2.701 1.00 0.00 H new ATOM 0 HA GLU B 56 2.518 14.638 3.345 1.00 0.00 H new ATOM 0 HB2 GLU B 56 3.482 12.401 3.095 1.00 0.00 H new ATOM 0 HB3 GLU B 56 2.566 12.135 1.625 1.00 0.00 H new ATOM 0 HG2 GLU B 56 4.752 12.652 0.911 1.00 0.00 H new ATOM 0 HG3 GLU B 56 3.818 14.103 0.608 1.00 0.00 H new TER 1738 GLU B 56