USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 935 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 119 HIS : no HD1:sc= -0.727 X(o=-3,f=-2.7) USER MOD Set 1.2: A 120 HIS : no HD1:sc= -2.23 X(o=-3,f=-2.7) USER MOD Set 2.1: A 21 SER OG : rot -64:sc= 0.405 USER MOD Set 2.2: A 30 MET CE :methyl -138:sc= 0 (180deg=0) USER MOD Set 2.3: A 32 LYS NZ :NH3+ 164:sc= -0.0446 (180deg=-0.363) USER MOD Set 3.1: A 28 SER OG : rot 6:sc= 0.76 USER MOD Set 3.2: A 85 ASN : amide:sc= -0.72 K(o=0.041,f=-7.6!) USER MOD Set 4.1: A 22 LYS NZ :NH3+ -177:sc= -1.5! (180deg=-0.0541) USER MOD Set 4.2: A 24 LYS NZ :NH3+ -166:sc=-0.00339 (180deg=-0.207) USER MOD Set 4.3: A 25 ASN : amide:sc= -2.52! C(o=-4!,f=-1.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -153:sc= -0.782! (180deg=-1.99!) USER MOD Single : A 5 GLN : amide:sc= -0.674 X(o=-0.67,f=-0.82) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 134:sc= -0.0478 (180deg=-0.46) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0319 USER MOD Single : A 23 SER OG : rot 117:sc= 0.783 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0514 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.281 USER MOD Single : A 46 THR OG1 : rot -176:sc= 0.527 USER MOD Single : A 50 THR OG1 : rot -59:sc= 1.15 USER MOD Single : A 52 MET CE :methyl 154:sc= -1.08 (180deg=-4.72!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.246 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -13.5! C(o=-13!,f=-11!) USER MOD Single : A 76 THR OG1 : rot -10:sc= 0.841 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0637 USER MOD Single : A 86 SER OG : rot 160:sc= -0.986 USER MOD Single : A 87 GLN : amide:sc= -2.28! C(o=-2.3!,f=-4.7!) USER MOD Single : A 94 MET CE :methyl 155:sc= -0.184 (180deg=-1.25) USER MOD Single : A 97 MET CE :methyl 151:sc= -0.464 (180deg=-3.61!) USER MOD Single : A 100 TYR OH : rot 30:sc= -0.533 USER MOD Single : A 104 ASN : amide:sc= -4.03! C(o=-4!,f=-2.7!) USER MOD Single : A 109 SER OG : rot 180:sc= 0.501 USER MOD Single : A 110 LYS NZ :NH3+ -164:sc= -0.0207 (180deg=-0.306) USER MOD Single : A 111 SER OG : rot -22:sc= 0.0872 USER MOD Single : A 115 HIS : no HD1:sc= -3.34! C(o=-3.3!,f=-4!) USER MOD Single : A 116 HIS : no HD1:sc= -2.62 K(o=-2.6,f=-4.4!) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.0041 X(o=-0.0041,f=-0.029) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.379 1.653 9.639 1.00 0.00 N ATOM 2 CA MET A 1 11.807 3.016 9.452 1.00 0.00 C ATOM 3 C MET A 1 10.365 2.879 8.961 1.00 0.00 C ATOM 4 O MET A 1 9.608 3.834 8.930 1.00 0.00 O ATOM 5 CB MET A 1 12.644 3.777 8.419 1.00 0.00 C ATOM 6 CG MET A 1 14.133 3.633 8.757 1.00 0.00 C ATOM 7 SD MET A 1 14.732 2.027 8.170 1.00 0.00 S ATOM 8 CE MET A 1 16.421 2.543 7.775 1.00 0.00 C ATOM 0 H1 MET A 1 13.125 1.686 10.363 1.00 0.00 H new ATOM 0 H2 MET A 1 11.629 1.001 9.944 1.00 0.00 H new ATOM 0 H3 MET A 1 12.783 1.320 8.741 1.00 0.00 H new ATOM 0 HA MET A 1 11.821 3.565 10.393 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.448 3.388 7.420 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.362 4.830 8.412 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.702 4.438 8.292 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.283 3.718 9.833 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.981 1.691 7.389 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.394 3.331 7.022 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.907 2.918 8.676 1.00 0.00 H new ATOM 20 N ALA A 2 9.984 1.686 8.583 1.00 0.00 N ATOM 21 CA ALA A 2 8.596 1.441 8.093 1.00 0.00 C ATOM 22 C ALA A 2 8.148 2.582 7.174 1.00 0.00 C ATOM 23 O ALA A 2 7.636 3.594 7.615 1.00 0.00 O ATOM 24 CB ALA A 2 7.642 1.330 9.288 1.00 0.00 C ATOM 0 H ALA A 2 10.584 0.861 8.594 1.00 0.00 H new ATOM 0 HA ALA A 2 8.579 0.509 7.527 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.628 1.151 8.929 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.952 0.502 9.926 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.666 2.258 9.860 1.00 0.00 H new ATOM 30 N GLU A 3 8.337 2.420 5.890 1.00 0.00 N ATOM 31 CA GLU A 3 7.929 3.484 4.923 1.00 0.00 C ATOM 32 C GLU A 3 7.312 2.843 3.681 1.00 0.00 C ATOM 33 O GLU A 3 7.706 1.775 3.252 1.00 0.00 O ATOM 34 CB GLU A 3 9.149 4.321 4.524 1.00 0.00 C ATOM 35 CG GLU A 3 10.213 3.429 3.879 1.00 0.00 C ATOM 36 CD GLU A 3 11.434 4.278 3.512 1.00 0.00 C ATOM 37 OE1 GLU A 3 12.157 4.662 4.416 1.00 0.00 O ATOM 38 OE2 GLU A 3 11.624 4.530 2.333 1.00 0.00 O ATOM 0 H GLU A 3 8.758 1.593 5.467 1.00 0.00 H new ATOM 0 HA GLU A 3 7.192 4.133 5.396 1.00 0.00 H new ATOM 0 HB2 GLU A 3 8.850 5.104 3.828 1.00 0.00 H new ATOM 0 HB3 GLU A 3 9.563 4.816 5.402 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.502 2.634 4.566 1.00 0.00 H new ATOM 0 HG3 GLU A 3 9.809 2.949 2.988 1.00 0.00 H new ATOM 45 N ILE A 4 6.335 3.497 3.106 1.00 0.00 N ATOM 46 CA ILE A 4 5.658 2.952 1.892 1.00 0.00 C ATOM 47 C ILE A 4 6.054 3.769 0.661 1.00 0.00 C ATOM 48 O ILE A 4 5.937 4.979 0.640 1.00 0.00 O ATOM 49 CB ILE A 4 4.144 3.042 2.090 1.00 0.00 C ATOM 50 CG1 ILE A 4 3.747 2.206 3.310 1.00 0.00 C ATOM 51 CG2 ILE A 4 3.431 2.510 0.844 1.00 0.00 C ATOM 52 CD1 ILE A 4 2.292 2.493 3.684 1.00 0.00 C ATOM 0 H ILE A 4 5.974 4.394 3.430 1.00 0.00 H new ATOM 0 HA ILE A 4 5.958 1.915 1.743 1.00 0.00 H new ATOM 0 HB ILE A 4 3.855 4.081 2.250 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.874 1.145 3.092 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.401 2.439 4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.352 2.575 0.987 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.719 3.106 -0.022 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.713 1.470 0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.015 1.896 4.553 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.179 3.551 3.920 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.644 2.237 2.846 1.00 0.00 H new ATOM 64 N GLN A 5 6.520 3.112 -0.371 1.00 0.00 N ATOM 65 CA GLN A 5 6.918 3.846 -1.607 1.00 0.00 C ATOM 66 C GLN A 5 6.759 2.927 -2.822 1.00 0.00 C ATOM 67 O GLN A 5 6.740 1.715 -2.707 1.00 0.00 O ATOM 68 CB GLN A 5 8.374 4.319 -1.498 1.00 0.00 C ATOM 69 CG GLN A 5 9.292 3.130 -1.203 1.00 0.00 C ATOM 70 CD GLN A 5 10.741 3.617 -1.104 1.00 0.00 C ATOM 71 OE1 GLN A 5 11.137 4.530 -1.802 1.00 0.00 O ATOM 72 NE2 GLN A 5 11.553 3.045 -0.256 1.00 0.00 N ATOM 0 H GLN A 5 6.641 2.100 -0.410 1.00 0.00 H new ATOM 0 HA GLN A 5 6.275 4.718 -1.725 1.00 0.00 H new ATOM 0 HB2 GLN A 5 8.678 4.802 -2.427 1.00 0.00 H new ATOM 0 HB3 GLN A 5 8.465 5.064 -0.707 1.00 0.00 H new ATOM 0 HG2 GLN A 5 8.994 2.649 -0.271 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.201 2.382 -1.991 1.00 0.00 H new ATOM 0 HE21 GLN A 5 11.221 2.279 0.330 1.00 0.00 H new ATOM 0 HE22 GLN A 5 12.519 3.364 -0.180 1.00 0.00 H new ATOM 81 N PHE A 6 6.646 3.506 -3.990 1.00 0.00 N ATOM 82 CA PHE A 6 6.488 2.699 -5.237 1.00 0.00 C ATOM 83 C PHE A 6 7.816 2.687 -5.995 1.00 0.00 C ATOM 84 O PHE A 6 8.183 1.705 -6.614 1.00 0.00 O ATOM 85 CB PHE A 6 5.422 3.353 -6.119 1.00 0.00 C ATOM 86 CG PHE A 6 4.083 3.290 -5.427 1.00 0.00 C ATOM 87 CD1 PHE A 6 3.289 2.146 -5.549 1.00 0.00 C ATOM 88 CD2 PHE A 6 3.637 4.377 -4.664 1.00 0.00 C ATOM 89 CE1 PHE A 6 2.048 2.085 -4.904 1.00 0.00 C ATOM 90 CE2 PHE A 6 2.396 4.317 -4.019 1.00 0.00 C ATOM 91 CZ PHE A 6 1.602 3.170 -4.139 1.00 0.00 C ATOM 0 H PHE A 6 6.657 4.516 -4.134 1.00 0.00 H new ATOM 0 HA PHE A 6 6.193 1.680 -4.985 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.689 4.390 -6.321 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.370 2.844 -7.081 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.633 1.310 -6.140 1.00 0.00 H new ATOM 0 HD2 PHE A 6 4.251 5.261 -4.573 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.434 1.201 -4.996 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.052 5.154 -3.430 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.645 3.122 -3.641 1.00 0.00 H new ATOM 101 N SER A 7 8.538 3.782 -5.955 1.00 0.00 N ATOM 102 CA SER A 7 9.848 3.858 -6.676 1.00 0.00 C ATOM 103 C SER A 7 10.936 4.372 -5.730 1.00 0.00 C ATOM 104 O SER A 7 10.673 5.102 -4.793 1.00 0.00 O ATOM 105 CB SER A 7 9.720 4.804 -7.869 1.00 0.00 C ATOM 106 OG SER A 7 8.773 4.268 -8.784 1.00 0.00 O ATOM 0 H SER A 7 8.275 4.629 -5.452 1.00 0.00 H new ATOM 0 HA SER A 7 10.121 2.863 -7.027 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.403 5.792 -7.534 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.687 4.928 -8.357 1.00 0.00 H new ATOM 0 HG SER A 7 8.683 4.870 -9.552 1.00 0.00 H new ATOM 112 N LYS A 8 12.157 3.978 -5.967 1.00 0.00 N ATOM 113 CA LYS A 8 13.281 4.414 -5.091 1.00 0.00 C ATOM 114 C LYS A 8 13.528 5.920 -5.235 1.00 0.00 C ATOM 115 O LYS A 8 13.482 6.477 -6.318 1.00 0.00 O ATOM 116 CB LYS A 8 14.547 3.645 -5.481 1.00 0.00 C ATOM 117 CG LYS A 8 14.376 2.169 -5.109 1.00 0.00 C ATOM 118 CD LYS A 8 15.640 1.386 -5.478 1.00 0.00 C ATOM 119 CE LYS A 8 15.484 -0.071 -5.033 1.00 0.00 C ATOM 120 NZ LYS A 8 14.350 -0.699 -5.771 1.00 0.00 N ATOM 0 H LYS A 8 12.426 3.367 -6.738 1.00 0.00 H new ATOM 0 HA LYS A 8 13.022 4.206 -4.053 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.731 3.744 -6.551 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.413 4.063 -4.968 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.179 2.075 -4.041 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.514 1.752 -5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.809 1.433 -6.554 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.511 1.833 -4.999 1.00 0.00 H new ATOM 0 HE2 LYS A 8 16.405 -0.621 -5.224 1.00 0.00 H new ATOM 0 HE3 LYS A 8 15.303 -0.117 -3.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.640 -1.634 -6.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.537 -0.806 -5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.082 -0.095 -6.574 1.00 0.00 H new ATOM 134 N GLY A 9 13.786 6.582 -4.136 1.00 0.00 N ATOM 135 CA GLY A 9 14.034 8.050 -4.173 1.00 0.00 C ATOM 136 C GLY A 9 12.701 8.798 -4.099 1.00 0.00 C ATOM 137 O GLY A 9 12.560 9.890 -4.619 1.00 0.00 O ATOM 0 H GLY A 9 13.835 6.162 -3.208 1.00 0.00 H new ATOM 0 HA2 GLY A 9 14.673 8.342 -3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 9 14.562 8.317 -5.089 1.00 0.00 H new ATOM 141 N VAL A 10 11.716 8.211 -3.463 1.00 0.00 N ATOM 142 CA VAL A 10 10.375 8.869 -3.351 1.00 0.00 C ATOM 143 C VAL A 10 10.118 9.282 -1.898 1.00 0.00 C ATOM 144 O VAL A 10 10.332 8.525 -0.969 1.00 0.00 O ATOM 145 CB VAL A 10 9.297 7.890 -3.821 1.00 0.00 C ATOM 146 CG1 VAL A 10 7.908 8.435 -3.474 1.00 0.00 C ATOM 147 CG2 VAL A 10 9.412 7.719 -5.339 1.00 0.00 C ATOM 0 H VAL A 10 11.784 7.298 -3.013 1.00 0.00 H new ATOM 0 HA VAL A 10 10.350 9.762 -3.976 1.00 0.00 H new ATOM 0 HB VAL A 10 9.435 6.930 -3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.147 7.732 -3.812 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.828 8.566 -2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.760 9.395 -3.968 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.648 7.023 -5.686 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.271 8.684 -5.826 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.399 7.328 -5.587 1.00 0.00 H new ATOM 157 N ALA A 11 9.666 10.492 -1.706 1.00 0.00 N ATOM 158 CA ALA A 11 9.398 11.000 -0.332 1.00 0.00 C ATOM 159 C ALA A 11 8.352 10.128 0.366 1.00 0.00 C ATOM 160 O ALA A 11 7.401 9.661 -0.234 1.00 0.00 O ATOM 161 CB ALA A 11 8.885 12.438 -0.420 1.00 0.00 C ATOM 0 H ALA A 11 9.469 11.158 -2.453 1.00 0.00 H new ATOM 0 HA ALA A 11 10.322 10.968 0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.687 12.816 0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.637 13.064 -0.901 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.965 12.461 -1.005 1.00 0.00 H new ATOM 167 N GLU A 12 8.528 9.918 1.643 1.00 0.00 N ATOM 168 CA GLU A 12 7.567 9.093 2.424 1.00 0.00 C ATOM 169 C GLU A 12 6.642 10.026 3.216 1.00 0.00 C ATOM 170 O GLU A 12 6.351 9.804 4.375 1.00 0.00 O ATOM 171 CB GLU A 12 8.347 8.182 3.382 1.00 0.00 C ATOM 172 CG GLU A 12 9.477 8.970 4.059 1.00 0.00 C ATOM 173 CD GLU A 12 10.642 9.162 3.082 1.00 0.00 C ATOM 174 OE1 GLU A 12 10.880 8.268 2.288 1.00 0.00 O ATOM 175 OE2 GLU A 12 11.274 10.205 3.143 1.00 0.00 O ATOM 0 H GLU A 12 9.309 10.289 2.184 1.00 0.00 H new ATOM 0 HA GLU A 12 6.968 8.475 1.755 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.674 7.775 4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.761 7.335 2.834 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.107 9.940 4.391 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.820 8.439 4.947 1.00 0.00 H new ATOM 182 N THR A 13 6.174 11.073 2.584 1.00 0.00 N ATOM 183 CA THR A 13 5.261 12.036 3.273 1.00 0.00 C ATOM 184 C THR A 13 3.806 11.659 2.966 1.00 0.00 C ATOM 185 O THR A 13 2.873 12.194 3.538 1.00 0.00 O ATOM 186 CB THR A 13 5.539 13.452 2.753 1.00 0.00 C ATOM 187 OG1 THR A 13 5.632 13.421 1.334 1.00 0.00 O ATOM 188 CG2 THR A 13 6.851 13.972 3.344 1.00 0.00 C ATOM 0 H THR A 13 6.387 11.304 1.613 1.00 0.00 H new ATOM 0 HA THR A 13 5.430 12.000 4.349 1.00 0.00 H new ATOM 0 HB THR A 13 4.727 14.115 3.051 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.808 14.325 0.998 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.044 14.978 2.972 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.776 13.995 4.431 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.668 13.313 3.051 1.00 0.00 H new ATOM 196 N VAL A 14 3.608 10.739 2.059 1.00 0.00 N ATOM 197 CA VAL A 14 2.220 10.322 1.697 1.00 0.00 C ATOM 198 C VAL A 14 1.603 9.512 2.841 1.00 0.00 C ATOM 199 O VAL A 14 2.234 8.640 3.410 1.00 0.00 O ATOM 200 CB VAL A 14 2.264 9.473 0.426 1.00 0.00 C ATOM 201 CG1 VAL A 14 0.839 9.176 -0.051 1.00 0.00 C ATOM 202 CG2 VAL A 14 3.014 10.244 -0.660 1.00 0.00 C ATOM 0 H VAL A 14 4.350 10.257 1.551 1.00 0.00 H new ATOM 0 HA VAL A 14 1.609 11.208 1.523 1.00 0.00 H new ATOM 0 HB VAL A 14 2.773 8.532 0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.877 8.571 -0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.301 8.633 0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.323 10.113 -0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.051 9.646 -1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.498 11.183 -0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.029 10.454 -0.322 1.00 0.00 H new ATOM 212 N VAL A 15 0.371 9.805 3.186 1.00 0.00 N ATOM 213 CA VAL A 15 -0.312 9.071 4.296 1.00 0.00 C ATOM 214 C VAL A 15 -1.530 8.308 3.752 1.00 0.00 C ATOM 215 O VAL A 15 -2.648 8.777 3.835 1.00 0.00 O ATOM 216 CB VAL A 15 -0.767 10.083 5.345 1.00 0.00 C ATOM 217 CG1 VAL A 15 -1.345 9.336 6.548 1.00 0.00 C ATOM 218 CG2 VAL A 15 0.440 10.909 5.792 1.00 0.00 C ATOM 0 H VAL A 15 -0.194 10.528 2.741 1.00 0.00 H new ATOM 0 HA VAL A 15 0.379 8.355 4.742 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.529 10.739 4.924 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.671 10.054 7.300 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.195 8.734 6.228 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.581 8.686 6.974 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.126 11.635 6.542 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.194 10.249 6.220 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.861 11.432 4.933 1.00 0.00 H new ATOM 228 N PRO A 16 -1.311 7.139 3.191 1.00 0.00 N ATOM 229 CA PRO A 16 -2.401 6.295 2.622 1.00 0.00 C ATOM 230 C PRO A 16 -3.175 5.534 3.701 1.00 0.00 C ATOM 231 O PRO A 16 -2.650 5.205 4.749 1.00 0.00 O ATOM 232 CB PRO A 16 -1.652 5.337 1.688 1.00 0.00 C ATOM 233 CG PRO A 16 -0.302 5.173 2.307 1.00 0.00 C ATOM 234 CD PRO A 16 0.003 6.486 3.047 1.00 0.00 C ATOM 0 HA PRO A 16 -3.161 6.888 2.113 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.168 4.380 1.607 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.577 5.746 0.680 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.291 4.328 2.996 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.452 4.973 1.546 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.462 6.298 4.018 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.697 7.109 2.482 1.00 0.00 H new ATOM 242 N GLU A 17 -4.423 5.252 3.451 1.00 0.00 N ATOM 243 CA GLU A 17 -5.242 4.518 4.458 1.00 0.00 C ATOM 244 C GLU A 17 -5.158 3.015 4.193 1.00 0.00 C ATOM 245 O GLU A 17 -4.917 2.580 3.083 1.00 0.00 O ATOM 246 CB GLU A 17 -6.697 4.974 4.370 1.00 0.00 C ATOM 247 CG GLU A 17 -6.804 6.456 4.765 1.00 0.00 C ATOM 248 CD GLU A 17 -6.432 7.342 3.572 1.00 0.00 C ATOM 249 OE1 GLU A 17 -6.021 6.802 2.558 1.00 0.00 O ATOM 250 OE2 GLU A 17 -6.548 8.550 3.700 1.00 0.00 O ATOM 0 H GLU A 17 -4.913 5.498 2.591 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.858 4.730 5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.072 4.830 3.357 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.318 4.367 5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.818 6.681 5.094 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.142 6.666 5.605 1.00 0.00 H new ATOM 257 N VAL A 18 -5.347 2.223 5.217 1.00 0.00 N ATOM 258 CA VAL A 18 -5.272 0.738 5.063 1.00 0.00 C ATOM 259 C VAL A 18 -6.630 0.122 5.383 1.00 0.00 C ATOM 260 O VAL A 18 -7.259 0.452 6.370 1.00 0.00 O ATOM 261 CB VAL A 18 -4.228 0.186 6.028 1.00 0.00 C ATOM 262 CG1 VAL A 18 -4.144 -1.335 5.871 1.00 0.00 C ATOM 263 CG2 VAL A 18 -2.867 0.816 5.713 1.00 0.00 C ATOM 0 H VAL A 18 -5.552 2.545 6.163 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.995 0.491 4.038 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.510 0.426 7.053 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.398 -1.731 6.560 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.115 -1.778 6.093 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.859 -1.580 4.848 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.117 0.425 6.400 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.582 0.574 4.689 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.932 1.898 5.825 1.00 0.00 H new ATOM 273 N ARG A 19 -7.087 -0.772 4.541 1.00 0.00 N ATOM 274 CA ARG A 19 -8.410 -1.428 4.766 1.00 0.00 C ATOM 275 C ARG A 19 -8.215 -2.939 4.851 1.00 0.00 C ATOM 276 O ARG A 19 -7.430 -3.519 4.124 1.00 0.00 O ATOM 277 CB ARG A 19 -9.346 -1.096 3.604 1.00 0.00 C ATOM 278 CG ARG A 19 -9.490 0.424 3.490 1.00 0.00 C ATOM 279 CD ARG A 19 -10.682 0.758 2.591 1.00 0.00 C ATOM 280 NE ARG A 19 -10.496 0.134 1.247 1.00 0.00 N ATOM 281 CZ ARG A 19 -9.867 0.769 0.294 1.00 0.00 C ATOM 282 NH1 ARG A 19 -9.376 1.960 0.500 1.00 0.00 N ATOM 283 NH2 ARG A 19 -9.728 0.204 -0.874 1.00 0.00 N ATOM 0 H ARG A 19 -6.595 -1.077 3.701 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.846 -1.065 5.696 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.951 -1.506 2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.322 -1.554 3.765 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.632 0.862 4.478 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.578 0.856 3.078 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.604 0.395 3.045 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.780 1.839 2.489 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.865 -0.800 1.071 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.481 2.404 1.412 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.887 2.447 -0.251 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.109 -0.728 -1.038 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.238 0.694 -1.623 1.00 0.00 H new ATOM 297 N LEU A 20 -8.927 -3.579 5.744 1.00 0.00 N ATOM 298 CA LEU A 20 -8.797 -5.057 5.906 1.00 0.00 C ATOM 299 C LEU A 20 -10.023 -5.741 5.302 1.00 0.00 C ATOM 300 O LEU A 20 -11.125 -5.645 5.812 1.00 0.00 O ATOM 301 CB LEU A 20 -8.706 -5.387 7.398 1.00 0.00 C ATOM 302 CG LEU A 20 -7.584 -4.558 8.037 1.00 0.00 C ATOM 303 CD1 LEU A 20 -7.493 -4.891 9.529 1.00 0.00 C ATOM 304 CD2 LEU A 20 -6.246 -4.877 7.356 1.00 0.00 C ATOM 0 H LEU A 20 -9.598 -3.136 6.372 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.900 -5.411 5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.656 -5.172 7.888 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.510 -6.451 7.535 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.804 -3.498 7.912 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.696 -4.303 9.985 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.441 -4.655 10.013 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.277 -5.952 9.652 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.454 -4.285 7.815 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.021 -5.937 7.474 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.311 -4.636 6.295 1.00 0.00 H new ATOM 316 N SER A 21 -9.830 -6.430 4.211 1.00 0.00 N ATOM 317 CA SER A 21 -10.964 -7.125 3.545 1.00 0.00 C ATOM 318 C SER A 21 -11.199 -8.482 4.205 1.00 0.00 C ATOM 319 O SER A 21 -10.394 -8.952 4.989 1.00 0.00 O ATOM 320 CB SER A 21 -10.631 -7.334 2.068 1.00 0.00 C ATOM 321 OG SER A 21 -9.569 -8.270 1.956 1.00 0.00 O ATOM 0 H SER A 21 -8.927 -6.541 3.750 1.00 0.00 H new ATOM 0 HA SER A 21 -11.864 -6.517 3.639 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.509 -7.696 1.533 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.347 -6.387 1.610 1.00 0.00 H new ATOM 0 HG SER A 21 -8.763 -7.901 2.373 1.00 0.00 H new ATOM 327 N LYS A 22 -12.303 -9.115 3.894 1.00 0.00 N ATOM 328 CA LYS A 22 -12.616 -10.448 4.493 1.00 0.00 C ATOM 329 C LYS A 22 -12.541 -11.532 3.415 1.00 0.00 C ATOM 330 O LYS A 22 -13.227 -11.487 2.411 1.00 0.00 O ATOM 331 CB LYS A 22 -14.026 -10.413 5.081 1.00 0.00 C ATOM 332 CG LYS A 22 -14.325 -11.745 5.771 1.00 0.00 C ATOM 333 CD LYS A 22 -15.705 -11.690 6.429 1.00 0.00 C ATOM 334 CE LYS A 22 -15.996 -13.023 7.126 1.00 0.00 C ATOM 335 NZ LYS A 22 -15.226 -13.089 8.402 1.00 0.00 N ATOM 0 H LYS A 22 -13.006 -8.762 3.245 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.893 -10.673 5.277 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -14.113 -9.594 5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -14.756 -10.228 4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.291 -12.557 5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.563 -11.956 6.521 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.742 -10.875 7.151 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.469 -11.486 5.679 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -17.063 -13.117 7.326 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.719 -13.854 6.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.381 -14.013 8.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.213 -12.966 8.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.547 -12.334 9.041 1.00 0.00 H new ATOM 349 N SER A 23 -11.709 -12.512 3.633 1.00 0.00 N ATOM 350 CA SER A 23 -11.561 -13.621 2.657 1.00 0.00 C ATOM 351 C SER A 23 -10.547 -14.619 3.228 1.00 0.00 C ATOM 352 O SER A 23 -10.206 -15.606 2.607 1.00 0.00 O ATOM 353 CB SER A 23 -11.071 -13.074 1.312 1.00 0.00 C ATOM 354 OG SER A 23 -10.113 -12.051 1.545 1.00 0.00 O ATOM 0 H SER A 23 -11.117 -12.590 4.460 1.00 0.00 H new ATOM 0 HA SER A 23 -12.519 -14.113 2.492 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.629 -13.875 0.719 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.910 -12.679 0.739 1.00 0.00 H new ATOM 0 HG SER A 23 -9.246 -12.325 1.179 1.00 0.00 H new ATOM 360 N LYS A 24 -10.073 -14.366 4.423 1.00 0.00 N ATOM 361 CA LYS A 24 -9.095 -15.296 5.058 1.00 0.00 C ATOM 362 C LYS A 24 -9.775 -16.646 5.282 1.00 0.00 C ATOM 363 O LYS A 24 -9.180 -17.698 5.127 1.00 0.00 O ATOM 364 CB LYS A 24 -8.636 -14.715 6.403 1.00 0.00 C ATOM 365 CG LYS A 24 -9.835 -14.571 7.350 1.00 0.00 C ATOM 366 CD LYS A 24 -9.387 -13.881 8.640 1.00 0.00 C ATOM 367 CE LYS A 24 -10.560 -13.812 9.622 1.00 0.00 C ATOM 368 NZ LYS A 24 -11.600 -12.883 9.096 1.00 0.00 N ATOM 0 H LYS A 24 -10.323 -13.553 4.986 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.227 -15.424 4.412 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.884 -15.365 6.851 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.166 -13.744 6.248 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.623 -13.991 6.870 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.253 -15.552 7.576 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.557 -14.428 9.087 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.025 -12.877 8.420 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.985 -14.805 9.766 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.212 -13.470 10.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.274 -12.652 9.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.147 -12.010 8.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.106 -13.338 8.309 1.00 0.00 H new ATOM 382 N ASN A 25 -11.032 -16.615 5.638 1.00 0.00 N ATOM 383 CA ASN A 25 -11.796 -17.873 5.871 1.00 0.00 C ATOM 384 C ASN A 25 -12.739 -18.098 4.688 1.00 0.00 C ATOM 385 O ASN A 25 -13.563 -18.993 4.691 1.00 0.00 O ATOM 386 CB ASN A 25 -12.612 -17.736 7.162 1.00 0.00 C ATOM 387 CG ASN A 25 -13.626 -16.595 7.018 1.00 0.00 C ATOM 388 OD1 ASN A 25 -14.553 -16.685 6.235 1.00 0.00 O ATOM 389 ND2 ASN A 25 -13.490 -15.520 7.746 1.00 0.00 N ATOM 0 H ASN A 25 -11.568 -15.759 5.779 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.113 -18.717 5.965 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -13.131 -18.671 7.376 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.948 -17.540 8.004 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.161 -14.756 7.658 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.713 -15.444 8.403 1.00 0.00 H new ATOM 396 N GLY A 26 -12.616 -17.284 3.671 1.00 0.00 N ATOM 397 CA GLY A 26 -13.494 -17.422 2.468 1.00 0.00 C ATOM 398 C GLY A 26 -12.701 -18.051 1.317 1.00 0.00 C ATOM 399 O GLY A 26 -13.045 -19.101 0.807 1.00 0.00 O ATOM 0 H GLY A 26 -11.939 -16.523 3.621 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.359 -18.041 2.707 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.874 -16.445 2.169 1.00 0.00 H new ATOM 403 N GLN A 27 -11.638 -17.411 0.905 1.00 0.00 N ATOM 404 CA GLN A 27 -10.812 -17.955 -0.210 1.00 0.00 C ATOM 405 C GLN A 27 -9.371 -17.449 -0.073 1.00 0.00 C ATOM 406 O GLN A 27 -8.424 -18.158 -0.362 1.00 0.00 O ATOM 407 CB GLN A 27 -11.399 -17.495 -1.553 1.00 0.00 C ATOM 408 CG GLN A 27 -11.371 -15.965 -1.631 1.00 0.00 C ATOM 409 CD GLN A 27 -12.077 -15.508 -2.909 1.00 0.00 C ATOM 410 OE1 GLN A 27 -13.140 -16.001 -3.239 1.00 0.00 O ATOM 411 NE2 GLN A 27 -11.531 -14.582 -3.652 1.00 0.00 N ATOM 0 H GLN A 27 -11.306 -16.530 1.296 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.816 -19.044 -0.170 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.826 -17.921 -2.377 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -12.422 -17.856 -1.656 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.863 -15.536 -0.758 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.341 -15.608 -1.624 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.640 -14.167 -3.378 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.995 -14.274 -4.506 1.00 0.00 H new ATOM 420 N SER A 28 -9.193 -16.228 0.367 1.00 0.00 N ATOM 421 CA SER A 28 -7.807 -15.692 0.519 1.00 0.00 C ATOM 422 C SER A 28 -7.848 -14.355 1.266 1.00 0.00 C ATOM 423 O SER A 28 -8.320 -13.355 0.755 1.00 0.00 O ATOM 424 CB SER A 28 -7.169 -15.492 -0.857 1.00 0.00 C ATOM 425 OG SER A 28 -6.824 -16.758 -1.401 1.00 0.00 O ATOM 0 H SER A 28 -9.941 -15.585 0.625 1.00 0.00 H new ATOM 0 HA SER A 28 -7.212 -16.406 1.088 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.862 -14.974 -1.520 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.281 -14.865 -0.772 1.00 0.00 H new ATOM 0 HG SER A 28 -7.157 -17.468 -0.814 1.00 0.00 H new ATOM 431 N GLY A 29 -7.358 -14.338 2.475 1.00 0.00 N ATOM 432 CA GLY A 29 -7.364 -13.084 3.283 1.00 0.00 C ATOM 433 C GLY A 29 -6.454 -12.034 2.647 1.00 0.00 C ATOM 434 O GLY A 29 -5.388 -12.337 2.146 1.00 0.00 O ATOM 0 H GLY A 29 -6.949 -15.147 2.943 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.380 -12.697 3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.030 -13.297 4.298 1.00 0.00 H new ATOM 438 N MET A 30 -6.865 -10.795 2.671 1.00 0.00 N ATOM 439 CA MET A 30 -6.022 -9.726 2.072 1.00 0.00 C ATOM 440 C MET A 30 -6.473 -8.353 2.576 1.00 0.00 C ATOM 441 O MET A 30 -7.512 -8.207 3.191 1.00 0.00 O ATOM 442 CB MET A 30 -6.138 -9.774 0.547 1.00 0.00 C ATOM 443 CG MET A 30 -7.573 -9.458 0.118 1.00 0.00 C ATOM 444 SD MET A 30 -7.731 -9.734 -1.664 1.00 0.00 S ATOM 445 CE MET A 30 -9.437 -9.159 -1.845 1.00 0.00 C ATOM 0 H MET A 30 -7.745 -10.479 3.078 1.00 0.00 H new ATOM 0 HA MET A 30 -4.985 -9.889 2.365 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.450 -9.057 0.100 1.00 0.00 H new ATOM 0 HB3 MET A 30 -5.850 -10.761 0.184 1.00 0.00 H new ATOM 0 HG2 MET A 30 -8.276 -10.090 0.660 1.00 0.00 H new ATOM 0 HG3 MET A 30 -7.820 -8.425 0.362 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.979 -9.831 -2.511 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.922 -9.146 -0.869 1.00 0.00 H new ATOM 0 HE3 MET A 30 -9.439 -8.153 -2.265 1.00 0.00 H new ATOM 455 N ALA A 31 -5.686 -7.342 2.310 1.00 0.00 N ATOM 456 CA ALA A 31 -6.041 -5.961 2.754 1.00 0.00 C ATOM 457 C ALA A 31 -5.746 -4.984 1.615 1.00 0.00 C ATOM 458 O ALA A 31 -4.826 -5.176 0.845 1.00 0.00 O ATOM 459 CB ALA A 31 -5.203 -5.588 3.979 1.00 0.00 C ATOM 0 H ALA A 31 -4.806 -7.415 1.800 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.098 -5.915 3.015 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.462 -4.580 4.304 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.405 -6.292 4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.145 -5.626 3.721 1.00 0.00 H new ATOM 465 N LYS A 32 -6.531 -3.943 1.498 1.00 0.00 N ATOM 466 CA LYS A 32 -6.319 -2.950 0.401 1.00 0.00 C ATOM 467 C LYS A 32 -5.675 -1.680 0.953 1.00 0.00 C ATOM 468 O LYS A 32 -5.890 -1.300 2.089 1.00 0.00 O ATOM 469 CB LYS A 32 -7.669 -2.599 -0.221 1.00 0.00 C ATOM 470 CG LYS A 32 -8.233 -3.831 -0.927 1.00 0.00 C ATOM 471 CD LYS A 32 -9.572 -3.481 -1.578 1.00 0.00 C ATOM 472 CE LYS A 32 -10.104 -4.698 -2.336 1.00 0.00 C ATOM 473 NZ LYS A 32 -10.427 -5.786 -1.367 1.00 0.00 N ATOM 0 H LYS A 32 -7.314 -3.737 2.119 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.659 -3.384 -0.350 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.360 -2.259 0.550 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.554 -1.780 -0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.531 -4.183 -1.683 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.366 -4.643 -0.212 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.288 -3.171 -0.817 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.448 -2.640 -2.260 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.994 -4.426 -2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.362 -5.045 -3.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.029 -6.496 -1.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.547 -6.236 -1.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.930 -5.385 -0.550 1.00 0.00 H new ATOM 487 N PHE A 33 -4.886 -1.024 0.141 1.00 0.00 N ATOM 488 CA PHE A 33 -4.208 0.236 0.569 1.00 0.00 C ATOM 489 C PHE A 33 -4.696 1.380 -0.315 1.00 0.00 C ATOM 490 O PHE A 33 -4.714 1.284 -1.530 1.00 0.00 O ATOM 491 CB PHE A 33 -2.696 0.063 0.416 1.00 0.00 C ATOM 492 CG PHE A 33 -2.171 -0.735 1.587 1.00 0.00 C ATOM 493 CD1 PHE A 33 -2.430 -2.109 1.672 1.00 0.00 C ATOM 494 CD2 PHE A 33 -1.435 -0.098 2.592 1.00 0.00 C ATOM 495 CE1 PHE A 33 -1.951 -2.844 2.762 1.00 0.00 C ATOM 496 CE2 PHE A 33 -0.955 -0.833 3.681 1.00 0.00 C ATOM 497 CZ PHE A 33 -1.215 -2.206 3.768 1.00 0.00 C ATOM 0 H PHE A 33 -4.680 -1.313 -0.815 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.440 0.459 1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.468 -0.447 -0.520 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.208 1.037 0.375 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.999 -2.601 0.897 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.237 0.962 2.527 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.149 -3.904 2.827 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.384 -0.341 4.455 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.848 -2.773 4.611 1.00 0.00 H new ATOM 507 N TYR A 34 -5.109 2.460 0.293 1.00 0.00 N ATOM 508 CA TYR A 34 -5.622 3.617 -0.488 1.00 0.00 C ATOM 509 C TYR A 34 -4.527 4.670 -0.634 1.00 0.00 C ATOM 510 O TYR A 34 -3.983 5.162 0.338 1.00 0.00 O ATOM 511 CB TYR A 34 -6.812 4.223 0.253 1.00 0.00 C ATOM 512 CG TYR A 34 -7.556 5.160 -0.666 1.00 0.00 C ATOM 513 CD1 TYR A 34 -8.398 4.639 -1.653 1.00 0.00 C ATOM 514 CD2 TYR A 34 -7.396 6.544 -0.536 1.00 0.00 C ATOM 515 CE1 TYR A 34 -9.087 5.503 -2.512 1.00 0.00 C ATOM 516 CE2 TYR A 34 -8.082 7.409 -1.396 1.00 0.00 C ATOM 517 CZ TYR A 34 -8.927 6.888 -2.384 1.00 0.00 C ATOM 518 OH TYR A 34 -9.602 7.741 -3.233 1.00 0.00 O ATOM 0 H TYR A 34 -5.112 2.589 1.305 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.929 3.282 -1.479 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.478 3.433 0.600 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.468 4.761 1.136 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.517 3.570 -1.753 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.744 6.944 0.227 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.741 5.102 -3.272 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.960 8.478 -1.298 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.381 8.669 -3.008 1.00 0.00 H new ATOM 528 N PHE A 35 -4.213 5.021 -1.855 1.00 0.00 N ATOM 529 CA PHE A 35 -3.160 6.044 -2.120 1.00 0.00 C ATOM 530 C PHE A 35 -3.804 7.265 -2.762 1.00 0.00 C ATOM 531 O PHE A 35 -4.504 7.160 -3.752 1.00 0.00 O ATOM 532 CB PHE A 35 -2.124 5.458 -3.074 1.00 0.00 C ATOM 533 CG PHE A 35 -1.393 4.333 -2.389 1.00 0.00 C ATOM 534 CD1 PHE A 35 -0.301 4.613 -1.560 1.00 0.00 C ATOM 535 CD2 PHE A 35 -1.807 3.011 -2.582 1.00 0.00 C ATOM 536 CE1 PHE A 35 0.377 3.569 -0.924 1.00 0.00 C ATOM 537 CE2 PHE A 35 -1.129 1.966 -1.944 1.00 0.00 C ATOM 538 CZ PHE A 35 -0.036 2.245 -1.114 1.00 0.00 C ATOM 0 H PHE A 35 -4.650 4.635 -2.692 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.677 6.332 -1.186 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -2.611 5.093 -3.978 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.419 6.230 -3.382 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.018 5.634 -1.412 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.649 2.797 -3.223 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.221 3.784 -0.285 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.449 0.945 -2.092 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.488 1.439 -0.621 1.00 0.00 H new ATOM 548 N LEU A 36 -3.580 8.426 -2.193 1.00 0.00 N ATOM 549 CA LEU A 36 -4.182 9.674 -2.750 1.00 0.00 C ATOM 550 C LEU A 36 -3.086 10.633 -3.211 1.00 0.00 C ATOM 551 O LEU A 36 -2.286 11.106 -2.424 1.00 0.00 O ATOM 552 CB LEU A 36 -5.037 10.351 -1.676 1.00 0.00 C ATOM 553 CG LEU A 36 -5.773 11.562 -2.273 1.00 0.00 C ATOM 554 CD1 LEU A 36 -6.749 11.111 -3.379 1.00 0.00 C ATOM 555 CD2 LEU A 36 -6.545 12.281 -1.161 1.00 0.00 C ATOM 0 H LEU A 36 -3.003 8.561 -1.363 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.805 9.414 -3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.758 9.640 -1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.407 10.671 -0.847 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.042 12.240 -2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.261 11.981 -3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.194 10.609 -4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.483 10.424 -2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.069 13.141 -1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.268 11.596 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.848 12.619 -0.394 1.00 0.00 H new ATOM 567 N GLU A 37 -3.075 10.928 -4.488 1.00 0.00 N ATOM 568 CA GLU A 37 -2.066 11.866 -5.074 1.00 0.00 C ATOM 569 C GLU A 37 -0.727 11.788 -4.328 1.00 0.00 C ATOM 570 O GLU A 37 -0.341 12.709 -3.637 1.00 0.00 O ATOM 571 CB GLU A 37 -2.610 13.295 -5.010 1.00 0.00 C ATOM 572 CG GLU A 37 -3.803 13.421 -5.962 1.00 0.00 C ATOM 573 CD GLU A 37 -4.261 14.879 -6.021 1.00 0.00 C ATOM 574 OE1 GLU A 37 -3.833 15.649 -5.176 1.00 0.00 O ATOM 575 OE2 GLU A 37 -5.033 15.202 -6.910 1.00 0.00 O ATOM 0 H GLU A 37 -3.738 10.549 -5.164 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.889 11.577 -6.110 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.915 13.536 -3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.832 14.006 -5.287 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.524 13.076 -6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.621 12.786 -5.622 1.00 0.00 H new ATOM 582 N PRO A 38 -0.021 10.699 -4.484 1.00 0.00 N ATOM 583 CA PRO A 38 1.307 10.495 -3.829 1.00 0.00 C ATOM 584 C PRO A 38 2.344 11.487 -4.370 1.00 0.00 C ATOM 585 O PRO A 38 3.532 11.348 -4.149 1.00 0.00 O ATOM 586 CB PRO A 38 1.684 9.037 -4.186 1.00 0.00 C ATOM 587 CG PRO A 38 0.418 8.411 -4.684 1.00 0.00 C ATOM 588 CD PRO A 38 -0.403 9.538 -5.296 1.00 0.00 C ATOM 0 HA PRO A 38 1.274 10.662 -2.752 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.463 9.008 -4.948 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.069 8.506 -3.315 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.631 7.639 -5.423 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.125 7.932 -3.870 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.165 9.686 -6.349 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.473 9.337 -5.236 1.00 0.00 H new ATOM 596 N THR A 39 1.890 12.481 -5.086 1.00 0.00 N ATOM 597 CA THR A 39 2.819 13.492 -5.662 1.00 0.00 C ATOM 598 C THR A 39 3.685 12.833 -6.743 1.00 0.00 C ATOM 599 O THR A 39 4.480 13.479 -7.400 1.00 0.00 O ATOM 600 CB THR A 39 3.717 14.071 -4.558 1.00 0.00 C ATOM 601 OG1 THR A 39 2.968 14.192 -3.358 1.00 0.00 O ATOM 602 CG2 THR A 39 4.224 15.449 -4.982 1.00 0.00 C ATOM 0 H THR A 39 0.904 12.636 -5.298 1.00 0.00 H new ATOM 0 HA THR A 39 2.238 14.301 -6.105 1.00 0.00 H new ATOM 0 HB THR A 39 4.566 13.407 -4.394 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.539 14.560 -2.652 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.861 15.859 -4.198 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.797 15.358 -5.905 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.376 16.114 -5.146 1.00 0.00 H new ATOM 610 N ILE A 40 3.535 11.551 -6.932 1.00 0.00 N ATOM 611 CA ILE A 40 4.344 10.842 -7.965 1.00 0.00 C ATOM 612 C ILE A 40 3.643 10.950 -9.325 1.00 0.00 C ATOM 613 O ILE A 40 4.129 10.465 -10.331 1.00 0.00 O ATOM 614 CB ILE A 40 4.492 9.368 -7.559 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.518 8.678 -8.463 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.141 8.656 -7.688 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.915 7.333 -7.847 1.00 0.00 C ATOM 0 H ILE A 40 2.884 10.961 -6.413 1.00 0.00 H new ATOM 0 HA ILE A 40 5.332 11.295 -8.042 1.00 0.00 H new ATOM 0 HB ILE A 40 4.831 9.319 -6.524 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.099 8.525 -9.457 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.398 9.310 -8.582 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.251 7.611 -7.399 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.412 9.138 -7.036 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.797 8.712 -8.721 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.645 6.840 -8.489 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.351 7.499 -6.862 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.032 6.702 -7.751 1.00 0.00 H new ATOM 629 N LEU A 41 2.505 11.590 -9.366 1.00 0.00 N ATOM 630 CA LEU A 41 1.771 11.737 -10.656 1.00 0.00 C ATOM 631 C LEU A 41 2.378 12.897 -11.452 1.00 0.00 C ATOM 632 O LEU A 41 2.076 13.100 -12.613 1.00 0.00 O ATOM 633 CB LEU A 41 0.299 12.038 -10.363 1.00 0.00 C ATOM 634 CG LEU A 41 -0.293 10.921 -9.492 1.00 0.00 C ATOM 635 CD1 LEU A 41 -1.748 11.259 -9.145 1.00 0.00 C ATOM 636 CD2 LEU A 41 -0.236 9.583 -10.247 1.00 0.00 C ATOM 0 H LEU A 41 2.051 12.018 -8.559 1.00 0.00 H new ATOM 0 HA LEU A 41 1.850 10.816 -11.234 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.208 12.997 -9.853 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.259 12.119 -11.296 1.00 0.00 H new ATOM 0 HG LEU A 41 0.288 10.835 -8.574 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.168 10.466 -8.527 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.782 12.202 -8.599 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.329 11.350 -10.063 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.658 8.795 -9.623 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.810 9.661 -11.170 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.800 9.343 -10.484 1.00 0.00 H new ATOM 648 N ALA A 42 3.242 13.656 -10.834 1.00 0.00 N ATOM 649 CA ALA A 42 3.886 14.799 -11.547 1.00 0.00 C ATOM 650 C ALA A 42 5.223 14.339 -12.134 1.00 0.00 C ATOM 651 O ALA A 42 5.770 14.959 -13.027 1.00 0.00 O ATOM 652 CB ALA A 42 4.137 15.936 -10.555 1.00 0.00 C ATOM 0 H ALA A 42 3.531 13.534 -9.863 1.00 0.00 H new ATOM 0 HA ALA A 42 3.233 15.147 -12.347 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.607 16.773 -11.072 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.189 16.261 -10.126 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.794 15.586 -9.759 1.00 0.00 H new ATOM 658 N LYS A 43 5.752 13.250 -11.633 1.00 0.00 N ATOM 659 CA LYS A 43 7.053 12.723 -12.147 1.00 0.00 C ATOM 660 C LYS A 43 6.811 11.455 -12.968 1.00 0.00 C ATOM 661 O LYS A 43 7.410 11.255 -14.006 1.00 0.00 O ATOM 662 CB LYS A 43 7.969 12.393 -10.968 1.00 0.00 C ATOM 663 CG LYS A 43 8.381 13.691 -10.270 1.00 0.00 C ATOM 664 CD LYS A 43 9.369 13.386 -9.135 1.00 0.00 C ATOM 665 CE LYS A 43 8.640 12.741 -7.951 1.00 0.00 C ATOM 666 NZ LYS A 43 9.511 12.804 -6.743 1.00 0.00 N ATOM 0 H LYS A 43 5.334 12.699 -10.883 1.00 0.00 H new ATOM 0 HA LYS A 43 7.522 13.478 -12.778 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.455 11.736 -10.266 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.852 11.858 -11.317 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.839 14.371 -10.989 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.500 14.195 -9.871 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.152 12.719 -9.495 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.857 14.306 -8.812 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.699 13.258 -7.763 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.393 11.705 -8.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.019 12.367 -5.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.397 12.292 -6.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.725 13.797 -6.521 1.00 0.00 H new ATOM 680 N GLU A 44 5.941 10.588 -12.504 1.00 0.00 N ATOM 681 CA GLU A 44 5.666 9.322 -13.258 1.00 0.00 C ATOM 682 C GLU A 44 4.161 9.051 -13.307 1.00 0.00 C ATOM 683 O GLU A 44 3.446 9.221 -12.338 1.00 0.00 O ATOM 684 CB GLU A 44 6.375 8.152 -12.569 1.00 0.00 C ATOM 685 CG GLU A 44 7.893 8.344 -12.649 1.00 0.00 C ATOM 686 CD GLU A 44 8.349 8.307 -14.112 1.00 0.00 C ATOM 687 OE1 GLU A 44 7.605 7.796 -14.931 1.00 0.00 O ATOM 688 OE2 GLU A 44 9.433 8.796 -14.386 1.00 0.00 O ATOM 0 H GLU A 44 5.412 10.701 -11.640 1.00 0.00 H new ATOM 0 HA GLU A 44 6.039 9.429 -14.277 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.062 8.088 -11.527 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.093 7.213 -13.045 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.172 9.296 -12.196 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.397 7.561 -12.082 1.00 0.00 H new ATOM 695 N SER A 45 3.687 8.629 -14.446 1.00 0.00 N ATOM 696 CA SER A 45 2.234 8.344 -14.610 1.00 0.00 C ATOM 697 C SER A 45 1.874 7.001 -13.966 1.00 0.00 C ATOM 698 O SER A 45 2.728 6.218 -13.593 1.00 0.00 O ATOM 699 CB SER A 45 1.904 8.293 -16.101 1.00 0.00 C ATOM 700 OG SER A 45 0.530 7.976 -16.273 1.00 0.00 O ATOM 0 H SER A 45 4.251 8.468 -15.280 1.00 0.00 H new ATOM 0 HA SER A 45 1.659 9.131 -14.122 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.127 9.253 -16.567 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.525 7.546 -16.596 1.00 0.00 H new ATOM 0 HG SER A 45 0.319 7.945 -17.229 1.00 0.00 H new ATOM 706 N THR A 46 0.602 6.736 -13.841 1.00 0.00 N ATOM 707 CA THR A 46 0.149 5.452 -13.232 1.00 0.00 C ATOM 708 C THR A 46 0.578 4.279 -14.120 1.00 0.00 C ATOM 709 O THR A 46 0.859 3.194 -13.645 1.00 0.00 O ATOM 710 CB THR A 46 -1.377 5.474 -13.110 1.00 0.00 C ATOM 711 OG1 THR A 46 -1.947 5.744 -14.383 1.00 0.00 O ATOM 712 CG2 THR A 46 -1.801 6.564 -12.123 1.00 0.00 C ATOM 0 H THR A 46 -0.149 7.359 -14.137 1.00 0.00 H new ATOM 0 HA THR A 46 0.598 5.333 -12.246 1.00 0.00 H new ATOM 0 HB THR A 46 -1.724 4.506 -12.749 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.920 5.820 -14.296 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.888 6.576 -12.039 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.364 6.360 -11.146 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.454 7.533 -12.480 1.00 0.00 H new ATOM 720 N ASP A 47 0.623 4.486 -15.404 1.00 0.00 N ATOM 721 CA ASP A 47 1.030 3.389 -16.332 1.00 0.00 C ATOM 722 C ASP A 47 2.497 3.020 -16.069 1.00 0.00 C ATOM 723 O ASP A 47 2.889 1.871 -16.141 1.00 0.00 O ATOM 724 CB ASP A 47 0.874 3.876 -17.782 1.00 0.00 C ATOM 725 CG ASP A 47 -0.570 3.680 -18.265 1.00 0.00 C ATOM 726 OD1 ASP A 47 -1.231 2.784 -17.768 1.00 0.00 O ATOM 727 OD2 ASP A 47 -0.988 4.442 -19.122 1.00 0.00 O ATOM 0 H ASP A 47 0.395 5.371 -15.856 1.00 0.00 H new ATOM 0 HA ASP A 47 0.402 2.513 -16.170 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.146 4.929 -17.849 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.558 3.329 -18.431 1.00 0.00 H new ATOM 732 N ASP A 48 3.309 3.991 -15.767 1.00 0.00 N ATOM 733 CA ASP A 48 4.746 3.709 -15.502 1.00 0.00 C ATOM 734 C ASP A 48 4.858 2.835 -14.249 1.00 0.00 C ATOM 735 O ASP A 48 5.708 1.969 -14.146 1.00 0.00 O ATOM 736 CB ASP A 48 5.478 5.038 -15.261 1.00 0.00 C ATOM 737 CG ASP A 48 5.865 5.692 -16.594 1.00 0.00 C ATOM 738 OD1 ASP A 48 5.844 5.009 -17.604 1.00 0.00 O ATOM 739 OD2 ASP A 48 6.173 6.874 -16.579 1.00 0.00 O ATOM 0 H ASP A 48 3.039 4.972 -15.692 1.00 0.00 H new ATOM 0 HA ASP A 48 5.190 3.192 -16.353 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.839 5.713 -14.691 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.372 4.863 -14.662 1.00 0.00 H new ATOM 744 N ILE A 49 4.008 3.068 -13.292 1.00 0.00 N ATOM 745 CA ILE A 49 4.060 2.275 -12.036 1.00 0.00 C ATOM 746 C ILE A 49 3.456 0.889 -12.268 1.00 0.00 C ATOM 747 O ILE A 49 2.360 0.746 -12.775 1.00 0.00 O ATOM 748 CB ILE A 49 3.273 3.002 -10.944 1.00 0.00 C ATOM 749 CG1 ILE A 49 3.959 4.335 -10.628 1.00 0.00 C ATOM 750 CG2 ILE A 49 3.229 2.138 -9.681 1.00 0.00 C ATOM 751 CD1 ILE A 49 3.040 5.201 -9.764 1.00 0.00 C ATOM 0 H ILE A 49 3.276 3.777 -13.326 1.00 0.00 H new ATOM 0 HA ILE A 49 5.099 2.162 -11.725 1.00 0.00 H new ATOM 0 HB ILE A 49 2.256 3.187 -11.290 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.900 4.156 -10.107 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.202 4.858 -11.553 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.668 2.657 -8.904 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.743 1.189 -9.906 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.245 1.952 -9.332 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.534 6.147 -9.543 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.111 5.393 -10.301 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.820 4.680 -8.832 1.00 0.00 H new ATOM 763 N THR A 50 4.171 -0.135 -11.890 1.00 0.00 N ATOM 764 CA THR A 50 3.664 -1.524 -12.067 1.00 0.00 C ATOM 765 C THR A 50 4.136 -2.375 -10.888 1.00 0.00 C ATOM 766 O THR A 50 4.661 -3.458 -11.056 1.00 0.00 O ATOM 767 CB THR A 50 4.196 -2.105 -13.384 1.00 0.00 C ATOM 768 OG1 THR A 50 3.908 -3.494 -13.442 1.00 0.00 O ATOM 769 CG2 THR A 50 5.706 -1.887 -13.483 1.00 0.00 C ATOM 0 H THR A 50 5.094 -0.067 -11.462 1.00 0.00 H new ATOM 0 HA THR A 50 2.575 -1.521 -12.102 1.00 0.00 H new ATOM 0 HB THR A 50 3.710 -1.598 -14.218 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.330 -3.948 -12.683 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.073 -2.303 -14.421 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.922 -0.819 -13.450 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.201 -2.383 -12.648 1.00 0.00 H new ATOM 777 N GLY A 51 3.944 -1.888 -9.688 1.00 0.00 N ATOM 778 CA GLY A 51 4.371 -2.667 -8.492 1.00 0.00 C ATOM 779 C GLY A 51 4.427 -1.761 -7.262 1.00 0.00 C ATOM 780 O GLY A 51 4.450 -0.551 -7.365 1.00 0.00 O ATOM 0 H GLY A 51 3.511 -0.987 -9.488 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.675 -3.488 -8.316 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.350 -3.112 -8.670 1.00 0.00 H new ATOM 784 N MET A 52 4.447 -2.352 -6.090 1.00 0.00 N ATOM 785 CA MET A 52 4.500 -1.555 -4.825 1.00 0.00 C ATOM 786 C MET A 52 5.632 -2.090 -3.949 1.00 0.00 C ATOM 787 O MET A 52 5.757 -3.288 -3.736 1.00 0.00 O ATOM 788 CB MET A 52 3.168 -1.686 -4.084 1.00 0.00 C ATOM 789 CG MET A 52 3.215 -0.859 -2.799 1.00 0.00 C ATOM 790 SD MET A 52 1.580 -0.871 -2.022 1.00 0.00 S ATOM 791 CE MET A 52 1.517 -2.638 -1.635 1.00 0.00 C ATOM 0 H MET A 52 4.429 -3.363 -5.956 1.00 0.00 H new ATOM 0 HA MET A 52 4.679 -0.505 -5.055 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.351 -1.344 -4.719 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.972 -2.732 -3.849 1.00 0.00 H new ATOM 0 HG2 MET A 52 3.958 -1.269 -2.116 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.517 0.164 -3.022 1.00 0.00 H new ATOM 0 HE1 MET A 52 0.857 -2.801 -0.783 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.138 -3.186 -2.497 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.518 -2.993 -1.391 1.00 0.00 H new ATOM 801 N TYR A 53 6.466 -1.205 -3.454 1.00 0.00 N ATOM 802 CA TYR A 53 7.618 -1.627 -2.604 1.00 0.00 C ATOM 803 C TYR A 53 7.373 -1.226 -1.149 1.00 0.00 C ATOM 804 O TYR A 53 7.409 -0.060 -0.789 1.00 0.00 O ATOM 805 CB TYR A 53 8.888 -0.947 -3.115 1.00 0.00 C ATOM 806 CG TYR A 53 9.201 -1.463 -4.503 1.00 0.00 C ATOM 807 CD1 TYR A 53 8.401 -1.078 -5.587 1.00 0.00 C ATOM 808 CD2 TYR A 53 10.283 -2.328 -4.706 1.00 0.00 C ATOM 809 CE1 TYR A 53 8.687 -1.556 -6.871 1.00 0.00 C ATOM 810 CE2 TYR A 53 10.569 -2.805 -5.991 1.00 0.00 C ATOM 811 CZ TYR A 53 9.768 -2.420 -7.073 1.00 0.00 C ATOM 812 OH TYR A 53 10.048 -2.893 -8.339 1.00 0.00 O ATOM 0 H TYR A 53 6.394 -0.199 -3.606 1.00 0.00 H new ATOM 0 HA TYR A 53 7.729 -2.710 -2.656 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.753 0.134 -3.137 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.721 -1.150 -2.441 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.564 -0.413 -5.432 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.898 -2.628 -3.870 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.072 -1.257 -7.707 1.00 0.00 H new ATOM 0 HE2 TYR A 53 11.406 -3.469 -6.147 1.00 0.00 H new ATOM 0 HH TYR A 53 10.832 -3.480 -8.303 1.00 0.00 H new ATOM 822 N LEU A 54 7.135 -2.198 -0.311 1.00 0.00 N ATOM 823 CA LEU A 54 6.896 -1.923 1.132 1.00 0.00 C ATOM 824 C LEU A 54 8.183 -2.216 1.902 1.00 0.00 C ATOM 825 O LEU A 54 8.703 -3.316 1.864 1.00 0.00 O ATOM 826 CB LEU A 54 5.777 -2.837 1.637 1.00 0.00 C ATOM 827 CG LEU A 54 4.518 -2.632 0.782 1.00 0.00 C ATOM 828 CD1 LEU A 54 3.398 -3.548 1.292 1.00 0.00 C ATOM 829 CD2 LEU A 54 4.069 -1.164 0.860 1.00 0.00 C ATOM 0 H LEU A 54 7.096 -3.184 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 54 6.606 -0.882 1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.095 -3.878 1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.559 -2.618 2.682 1.00 0.00 H new ATOM 0 HG LEU A 54 4.741 -2.880 -0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.504 -3.403 0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.718 -4.588 1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.174 -3.306 2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.175 -1.024 0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.847 -0.906 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.866 -0.520 0.488 1.00 0.00 H new ATOM 841 N ILE A 55 8.708 -1.237 2.599 1.00 0.00 N ATOM 842 CA ILE A 55 9.971 -1.446 3.370 1.00 0.00 C ATOM 843 C ILE A 55 9.649 -1.545 4.860 1.00 0.00 C ATOM 844 O ILE A 55 9.204 -0.596 5.483 1.00 0.00 O ATOM 845 CB ILE A 55 10.911 -0.266 3.121 1.00 0.00 C ATOM 846 CG1 ILE A 55 11.349 -0.276 1.648 1.00 0.00 C ATOM 847 CG2 ILE A 55 12.146 -0.393 4.018 1.00 0.00 C ATOM 848 CD1 ILE A 55 10.174 0.078 0.720 1.00 0.00 C ATOM 0 H ILE A 55 8.313 -0.299 2.666 1.00 0.00 H new ATOM 0 HA ILE A 55 10.452 -2.369 3.047 1.00 0.00 H new ATOM 0 HB ILE A 55 10.395 0.667 3.348 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.160 0.437 1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.739 -1.260 1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.814 0.449 3.838 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.838 -0.395 5.063 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.666 -1.324 3.791 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.512 0.064 -0.316 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.374 -0.651 0.851 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.802 1.073 0.967 1.00 0.00 H new ATOM 860 N ASP A 56 9.865 -2.700 5.428 1.00 0.00 N ATOM 861 CA ASP A 56 9.577 -2.910 6.876 1.00 0.00 C ATOM 862 C ASP A 56 10.831 -2.631 7.709 1.00 0.00 C ATOM 863 O ASP A 56 11.911 -2.439 7.185 1.00 0.00 O ATOM 864 CB ASP A 56 9.135 -4.360 7.087 1.00 0.00 C ATOM 865 CG ASP A 56 7.811 -4.603 6.355 1.00 0.00 C ATOM 866 OD1 ASP A 56 7.160 -3.630 6.017 1.00 0.00 O ATOM 867 OD2 ASP A 56 7.476 -5.756 6.145 1.00 0.00 O ATOM 0 H ASP A 56 10.234 -3.518 4.944 1.00 0.00 H new ATOM 0 HA ASP A 56 8.787 -2.228 7.192 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.899 -5.042 6.714 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.017 -4.564 8.151 1.00 0.00 H new ATOM 872 N ASP A 57 10.690 -2.617 9.009 1.00 0.00 N ATOM 873 CA ASP A 57 11.862 -2.361 9.898 1.00 0.00 C ATOM 874 C ASP A 57 12.703 -3.636 10.032 1.00 0.00 C ATOM 875 O ASP A 57 13.757 -3.635 10.642 1.00 0.00 O ATOM 876 CB ASP A 57 11.361 -1.926 11.280 1.00 0.00 C ATOM 877 CG ASP A 57 10.680 -3.103 11.986 1.00 0.00 C ATOM 878 OD1 ASP A 57 10.432 -4.103 11.333 1.00 0.00 O ATOM 879 OD2 ASP A 57 10.418 -2.982 13.174 1.00 0.00 O ATOM 0 H ASP A 57 9.807 -2.773 9.496 1.00 0.00 H new ATOM 0 HA ASP A 57 12.479 -1.573 9.467 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.195 -1.564 11.881 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.660 -1.098 11.177 1.00 0.00 H new ATOM 884 N GLU A 58 12.242 -4.720 9.464 1.00 0.00 N ATOM 885 CA GLU A 58 12.994 -6.010 9.538 1.00 0.00 C ATOM 886 C GLU A 58 13.236 -6.521 8.117 1.00 0.00 C ATOM 887 O GLU A 58 14.086 -7.358 7.878 1.00 0.00 O ATOM 888 CB GLU A 58 12.165 -7.035 10.327 1.00 0.00 C ATOM 889 CG GLU A 58 10.849 -7.314 9.594 1.00 0.00 C ATOM 890 CD GLU A 58 9.970 -8.227 10.451 1.00 0.00 C ATOM 891 OE1 GLU A 58 9.462 -7.756 11.455 1.00 0.00 O ATOM 892 OE2 GLU A 58 9.819 -9.383 10.089 1.00 0.00 O ATOM 0 H GLU A 58 11.365 -4.767 8.945 1.00 0.00 H new ATOM 0 HA GLU A 58 13.950 -5.860 10.041 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.730 -7.960 10.444 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.961 -6.657 11.329 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.329 -6.378 9.390 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.049 -7.784 8.631 1.00 0.00 H new ATOM 899 N GLY A 59 12.490 -6.021 7.167 1.00 0.00 N ATOM 900 CA GLY A 59 12.673 -6.480 5.764 1.00 0.00 C ATOM 901 C GLY A 59 11.799 -5.647 4.825 1.00 0.00 C ATOM 902 O GLY A 59 11.507 -4.494 5.081 1.00 0.00 O ATOM 0 H GLY A 59 11.765 -5.317 7.304 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.720 -6.389 5.476 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.410 -7.534 5.680 1.00 0.00 H new ATOM 906 N GLU A 60 11.381 -6.225 3.729 1.00 0.00 N ATOM 907 CA GLU A 60 10.526 -5.481 2.764 1.00 0.00 C ATOM 908 C GLU A 60 9.646 -6.472 2.003 1.00 0.00 C ATOM 909 O GLU A 60 10.054 -7.580 1.707 1.00 0.00 O ATOM 910 CB GLU A 60 11.408 -4.710 1.775 1.00 0.00 C ATOM 911 CG GLU A 60 12.278 -5.688 0.978 1.00 0.00 C ATOM 912 CD GLU A 60 13.217 -4.898 0.060 1.00 0.00 C ATOM 913 OE1 GLU A 60 13.755 -3.902 0.514 1.00 0.00 O ATOM 914 OE2 GLU A 60 13.380 -5.304 -1.079 1.00 0.00 O ATOM 0 H GLU A 60 11.598 -7.185 3.462 1.00 0.00 H new ATOM 0 HA GLU A 60 9.898 -4.774 3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.785 -4.128 1.096 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.040 -4.003 2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.857 -6.314 1.657 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.649 -6.354 0.388 1.00 0.00 H new ATOM 921 N ILE A 61 8.438 -6.078 1.681 1.00 0.00 N ATOM 922 CA ILE A 61 7.511 -6.983 0.934 1.00 0.00 C ATOM 923 C ILE A 61 7.233 -6.387 -0.444 1.00 0.00 C ATOM 924 O ILE A 61 6.896 -5.226 -0.576 1.00 0.00 O ATOM 925 CB ILE A 61 6.206 -7.123 1.713 1.00 0.00 C ATOM 926 CG1 ILE A 61 6.499 -7.826 3.040 1.00 0.00 C ATOM 927 CG2 ILE A 61 5.209 -7.950 0.899 1.00 0.00 C ATOM 928 CD1 ILE A 61 5.281 -7.727 3.962 1.00 0.00 C ATOM 0 H ILE A 61 8.052 -5.161 1.906 1.00 0.00 H new ATOM 0 HA ILE A 61 7.965 -7.967 0.817 1.00 0.00 H new ATOM 0 HB ILE A 61 5.778 -6.139 1.903 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.746 -8.872 2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.366 -7.371 3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.278 -8.049 1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.012 -7.452 -0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.626 -8.939 0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.497 -8.230 4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.054 -6.678 4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.424 -8.203 3.485 1.00 0.00 H new ATOM 940 N ILE A 62 7.391 -7.181 -1.474 1.00 0.00 N ATOM 941 CA ILE A 62 7.164 -6.684 -2.862 1.00 0.00 C ATOM 942 C ILE A 62 5.943 -7.369 -3.461 1.00 0.00 C ATOM 943 O ILE A 62 5.803 -8.578 -3.415 1.00 0.00 O ATOM 944 CB ILE A 62 8.393 -7.007 -3.713 1.00 0.00 C ATOM 945 CG1 ILE A 62 9.652 -6.453 -3.029 1.00 0.00 C ATOM 946 CG2 ILE A 62 8.237 -6.370 -5.095 1.00 0.00 C ATOM 947 CD1 ILE A 62 9.472 -4.968 -2.696 1.00 0.00 C ATOM 0 H ILE A 62 7.670 -8.160 -1.410 1.00 0.00 H new ATOM 0 HA ILE A 62 6.997 -5.607 -2.841 1.00 0.00 H new ATOM 0 HB ILE A 62 8.487 -8.088 -3.820 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.854 -7.014 -2.117 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.515 -6.583 -3.682 1.00 0.00 H new ATOM 0 HG21 ILE A 62 9.112 -6.600 -5.702 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.345 -6.767 -5.580 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.142 -5.289 -4.989 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.373 -4.592 -2.212 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.293 -4.408 -3.614 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.622 -4.846 -2.025 1.00 0.00 H new ATOM 959 N THR A 63 5.050 -6.595 -4.019 1.00 0.00 N ATOM 960 CA THR A 63 3.819 -7.181 -4.626 1.00 0.00 C ATOM 961 C THR A 63 3.506 -6.469 -5.943 1.00 0.00 C ATOM 962 O THR A 63 3.722 -5.281 -6.091 1.00 0.00 O ATOM 963 CB THR A 63 2.638 -7.009 -3.661 1.00 0.00 C ATOM 964 OG1 THR A 63 1.435 -7.372 -4.323 1.00 0.00 O ATOM 965 CG2 THR A 63 2.545 -5.554 -3.198 1.00 0.00 C ATOM 0 H THR A 63 5.120 -5.579 -4.081 1.00 0.00 H new ATOM 0 HA THR A 63 3.982 -8.242 -4.817 1.00 0.00 H new ATOM 0 HB THR A 63 2.790 -7.649 -2.792 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.679 -7.265 -3.709 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.704 -5.443 -2.514 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.467 -5.275 -2.688 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.398 -4.906 -4.062 1.00 0.00 H new ATOM 973 N ARG A 64 2.988 -7.195 -6.898 1.00 0.00 N ATOM 974 CA ARG A 64 2.636 -6.594 -8.219 1.00 0.00 C ATOM 975 C ARG A 64 1.129 -6.340 -8.269 1.00 0.00 C ATOM 976 O ARG A 64 0.586 -5.920 -9.274 1.00 0.00 O ATOM 977 CB ARG A 64 3.039 -7.569 -9.332 1.00 0.00 C ATOM 978 CG ARG A 64 4.575 -7.628 -9.465 1.00 0.00 C ATOM 979 CD ARG A 64 5.070 -6.503 -10.387 1.00 0.00 C ATOM 980 NE ARG A 64 4.519 -6.707 -11.757 1.00 0.00 N ATOM 981 CZ ARG A 64 5.117 -7.508 -12.598 1.00 0.00 C ATOM 982 NH1 ARG A 64 6.194 -8.154 -12.242 1.00 0.00 N ATOM 983 NH2 ARG A 64 4.632 -7.667 -13.798 1.00 0.00 N ATOM 0 H ARG A 64 2.791 -8.193 -6.818 1.00 0.00 H new ATOM 0 HA ARG A 64 3.163 -5.650 -8.356 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.648 -8.563 -9.113 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.598 -7.254 -10.278 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.037 -7.533 -8.482 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.876 -8.596 -9.866 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.757 -5.534 -9.998 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.160 -6.497 -10.419 1.00 0.00 H new ATOM 0 HE ARG A 64 3.670 -6.218 -12.040 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.573 -8.035 -11.303 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.656 -8.778 -12.903 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.788 -7.167 -14.077 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.096 -8.292 -14.457 1.00 0.00 H new ATOM 997 N GLU A 65 0.447 -6.589 -7.184 1.00 0.00 N ATOM 998 CA GLU A 65 -1.025 -6.363 -7.158 1.00 0.00 C ATOM 999 C GLU A 65 -1.312 -4.876 -6.950 1.00 0.00 C ATOM 1000 O GLU A 65 -1.716 -4.452 -5.882 1.00 0.00 O ATOM 1001 CB GLU A 65 -1.651 -7.175 -6.020 1.00 0.00 C ATOM 1002 CG GLU A 65 -1.571 -8.663 -6.361 1.00 0.00 C ATOM 1003 CD GLU A 65 -2.117 -9.495 -5.200 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -2.546 -8.905 -4.223 1.00 0.00 O ATOM 1005 OE2 GLU A 65 -2.099 -10.711 -5.308 1.00 0.00 O ATOM 0 H GLU A 65 0.847 -6.940 -6.314 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.456 -6.683 -8.106 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.128 -6.975 -5.085 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.690 -6.878 -5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.142 -8.868 -7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.538 -8.943 -6.565 1.00 0.00 H new ATOM 1012 N VAL A 66 -1.105 -4.083 -7.973 1.00 0.00 N ATOM 1013 CA VAL A 66 -1.355 -2.613 -7.870 1.00 0.00 C ATOM 1014 C VAL A 66 -2.355 -2.195 -8.945 1.00 0.00 C ATOM 1015 O VAL A 66 -2.251 -2.586 -10.092 1.00 0.00 O ATOM 1016 CB VAL A 66 -0.043 -1.847 -8.061 1.00 0.00 C ATOM 1017 CG1 VAL A 66 0.785 -1.939 -6.778 1.00 0.00 C ATOM 1018 CG2 VAL A 66 0.749 -2.456 -9.220 1.00 0.00 C ATOM 0 H VAL A 66 -0.770 -4.396 -8.884 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.760 -2.383 -6.885 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.263 -0.803 -8.285 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.720 -1.395 -6.909 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.224 -1.503 -5.951 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.001 -2.985 -6.559 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.682 -1.907 -9.352 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.971 -3.500 -9.000 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.160 -2.395 -10.135 1.00 0.00 H new ATOM 1028 N LYS A 67 -3.331 -1.403 -8.574 1.00 0.00 N ATOM 1029 CA LYS A 67 -4.358 -0.943 -9.556 1.00 0.00 C ATOM 1030 C LYS A 67 -4.464 0.578 -9.495 1.00 0.00 C ATOM 1031 O LYS A 67 -4.606 1.166 -8.439 1.00 0.00 O ATOM 1032 CB LYS A 67 -5.708 -1.574 -9.212 1.00 0.00 C ATOM 1033 CG LYS A 67 -5.633 -3.080 -9.461 1.00 0.00 C ATOM 1034 CD LYS A 67 -6.979 -3.725 -9.130 1.00 0.00 C ATOM 1035 CE LYS A 67 -6.892 -5.234 -9.367 1.00 0.00 C ATOM 1036 NZ LYS A 67 -8.203 -5.865 -9.046 1.00 0.00 N ATOM 0 H LYS A 67 -3.460 -1.053 -7.624 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.069 -1.244 -10.563 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.961 -1.377 -8.170 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.496 -1.131 -9.820 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.372 -3.274 -10.501 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.847 -3.521 -8.848 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.246 -3.524 -8.093 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.764 -3.293 -9.751 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.624 -5.435 -10.404 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.107 -5.666 -8.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.143 -6.891 -9.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.441 -5.684 -8.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.942 -5.461 -9.657 1.00 0.00 H new ATOM 1050 N GLY A 68 -4.384 1.216 -10.632 1.00 0.00 N ATOM 1051 CA GLY A 68 -4.459 2.703 -10.673 1.00 0.00 C ATOM 1052 C GLY A 68 -5.910 3.161 -10.804 1.00 0.00 C ATOM 1053 O GLY A 68 -6.645 2.705 -11.661 1.00 0.00 O ATOM 0 H GLY A 68 -4.269 0.766 -11.540 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.020 3.120 -9.767 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.875 3.080 -11.513 1.00 0.00 H new ATOM 1057 N LYS A 69 -6.318 4.082 -9.967 1.00 0.00 N ATOM 1058 CA LYS A 69 -7.712 4.612 -10.031 1.00 0.00 C ATOM 1059 C LYS A 69 -7.679 6.020 -10.618 1.00 0.00 C ATOM 1060 O LYS A 69 -6.893 6.863 -10.210 1.00 0.00 O ATOM 1061 CB LYS A 69 -8.311 4.648 -8.627 1.00 0.00 C ATOM 1062 CG LYS A 69 -8.594 3.217 -8.163 1.00 0.00 C ATOM 1063 CD LYS A 69 -9.223 3.247 -6.770 1.00 0.00 C ATOM 1064 CE LYS A 69 -9.549 1.821 -6.325 1.00 0.00 C ATOM 1065 NZ LYS A 69 -10.151 1.854 -4.962 1.00 0.00 N ATOM 0 H LYS A 69 -5.738 4.492 -9.235 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.326 3.968 -10.661 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.623 5.137 -7.938 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.231 5.232 -8.626 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.264 2.722 -8.866 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.669 2.640 -8.144 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.539 3.713 -6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.130 3.852 -6.782 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.240 1.358 -7.029 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.644 1.214 -6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.374 0.885 -4.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.477 2.280 -4.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.023 2.420 -4.981 1.00 0.00 H new ATOM 1079 N PHE A 70 -8.517 6.273 -11.590 1.00 0.00 N ATOM 1080 CA PHE A 70 -8.542 7.611 -12.248 1.00 0.00 C ATOM 1081 C PHE A 70 -9.766 8.398 -11.788 1.00 0.00 C ATOM 1082 O PHE A 70 -10.825 7.848 -11.549 1.00 0.00 O ATOM 1083 CB PHE A 70 -8.620 7.420 -13.761 1.00 0.00 C ATOM 1084 CG PHE A 70 -7.438 6.605 -14.226 1.00 0.00 C ATOM 1085 CD1 PHE A 70 -6.228 7.236 -14.527 1.00 0.00 C ATOM 1086 CD2 PHE A 70 -7.556 5.216 -14.352 1.00 0.00 C ATOM 1087 CE1 PHE A 70 -5.131 6.478 -14.956 1.00 0.00 C ATOM 1088 CE2 PHE A 70 -6.461 4.458 -14.782 1.00 0.00 C ATOM 1089 CZ PHE A 70 -5.247 5.089 -15.084 1.00 0.00 C ATOM 0 H PHE A 70 -9.191 5.602 -11.959 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.638 8.158 -11.980 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -9.550 6.917 -14.027 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.627 8.389 -14.261 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.139 8.308 -14.429 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.491 4.730 -14.118 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.196 6.965 -15.188 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.552 3.386 -14.881 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.402 4.504 -15.415 1.00 0.00 H new ATOM 1099 N ILE A 71 -9.612 9.691 -11.667 1.00 0.00 N ATOM 1100 CA ILE A 71 -10.740 10.567 -11.226 1.00 0.00 C ATOM 1101 C ILE A 71 -10.995 11.631 -12.289 1.00 0.00 C ATOM 1102 O ILE A 71 -10.094 12.062 -12.980 1.00 0.00 O ATOM 1103 CB ILE A 71 -10.372 11.233 -9.895 1.00 0.00 C ATOM 1104 CG1 ILE A 71 -10.179 10.153 -8.809 1.00 0.00 C ATOM 1105 CG2 ILE A 71 -11.479 12.210 -9.476 1.00 0.00 C ATOM 1106 CD1 ILE A 71 -11.535 9.714 -8.221 1.00 0.00 C ATOM 0 H ILE A 71 -8.740 10.185 -11.858 1.00 0.00 H new ATOM 0 HA ILE A 71 -11.643 9.971 -11.091 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.441 11.787 -10.016 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -9.667 9.290 -9.235 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.542 10.541 -8.014 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -11.211 12.679 -8.530 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.596 12.977 -10.241 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.417 11.668 -9.359 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.371 8.953 -7.458 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -12.033 10.574 -7.774 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.160 9.304 -9.014 1.00 0.00 H new ATOM 1118 N ASN A 72 -12.236 12.025 -12.432 1.00 0.00 N ATOM 1119 CA ASN A 72 -12.612 13.046 -13.454 1.00 0.00 C ATOM 1120 C ASN A 72 -12.055 12.629 -14.819 1.00 0.00 C ATOM 1121 O ASN A 72 -12.019 13.402 -15.759 1.00 0.00 O ATOM 1122 CB ASN A 72 -12.079 14.431 -13.040 1.00 0.00 C ATOM 1123 CG ASN A 72 -10.580 14.541 -13.328 1.00 0.00 C ATOM 1124 OD1 ASN A 72 -10.157 14.402 -14.459 1.00 0.00 O ATOM 1125 ND2 ASN A 72 -9.756 14.779 -12.345 1.00 0.00 N ATOM 0 H ASN A 72 -13.015 11.676 -11.874 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.698 13.111 -13.525 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.617 15.210 -13.581 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.264 14.595 -11.978 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.754 14.849 -12.525 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.113 14.895 -11.397 1.00 0.00 H new ATOM 1132 N GLY A 73 -11.629 11.402 -14.934 1.00 0.00 N ATOM 1133 CA GLY A 73 -11.078 10.912 -16.227 1.00 0.00 C ATOM 1134 C GLY A 73 -9.580 11.190 -16.279 1.00 0.00 C ATOM 1135 O GLY A 73 -9.004 11.369 -17.336 1.00 0.00 O ATOM 0 H GLY A 73 -11.639 10.713 -14.182 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.264 9.843 -16.332 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.580 11.406 -17.059 1.00 0.00 H new ATOM 1139 N ARG A 74 -8.936 11.220 -15.145 1.00 0.00 N ATOM 1140 CA ARG A 74 -7.469 11.472 -15.140 1.00 0.00 C ATOM 1141 C ARG A 74 -6.843 10.838 -13.880 1.00 0.00 C ATOM 1142 O ARG A 74 -7.536 10.536 -12.931 1.00 0.00 O ATOM 1143 CB ARG A 74 -7.202 12.997 -15.163 1.00 0.00 C ATOM 1144 CG ARG A 74 -7.080 13.556 -13.734 1.00 0.00 C ATOM 1145 CD ARG A 74 -7.139 15.080 -13.768 1.00 0.00 C ATOM 1146 NE ARG A 74 -7.100 15.610 -12.374 1.00 0.00 N ATOM 1147 CZ ARG A 74 -6.006 15.526 -11.661 1.00 0.00 C ATOM 1148 NH1 ARG A 74 -4.938 14.957 -12.150 1.00 0.00 N ATOM 1149 NH2 ARG A 74 -5.986 16.009 -10.451 1.00 0.00 N ATOM 0 H ARG A 74 -9.359 11.082 -14.227 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.017 11.023 -16.025 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.286 13.201 -15.717 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.012 13.504 -15.688 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.885 13.166 -13.111 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.142 13.229 -13.285 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.301 15.474 -14.342 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -8.050 15.408 -14.268 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.933 16.041 -11.973 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.952 14.573 -13.095 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.090 14.896 -11.587 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.820 16.450 -10.064 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.136 15.946 -9.891 1.00 0.00 H new ATOM 1163 N PRO A 75 -5.540 10.675 -13.857 1.00 0.00 N ATOM 1164 CA PRO A 75 -4.822 10.108 -12.670 1.00 0.00 C ATOM 1165 C PRO A 75 -5.049 10.946 -11.399 1.00 0.00 C ATOM 1166 O PRO A 75 -5.116 12.162 -11.441 1.00 0.00 O ATOM 1167 CB PRO A 75 -3.337 10.144 -13.085 1.00 0.00 C ATOM 1168 CG PRO A 75 -3.347 10.218 -14.577 1.00 0.00 C ATOM 1169 CD PRO A 75 -4.603 10.992 -14.951 1.00 0.00 C ATOM 0 HA PRO A 75 -5.177 9.108 -12.421 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.828 11.005 -12.652 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.810 9.255 -12.739 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.454 10.721 -14.949 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.358 9.221 -15.017 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.410 12.063 -15.017 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.995 10.679 -15.919 1.00 0.00 H new ATOM 1177 N THR A 76 -5.176 10.301 -10.272 1.00 0.00 N ATOM 1178 CA THR A 76 -5.403 11.051 -9.009 1.00 0.00 C ATOM 1179 C THR A 76 -5.172 10.126 -7.809 1.00 0.00 C ATOM 1180 O THR A 76 -4.741 10.559 -6.758 1.00 0.00 O ATOM 1181 CB THR A 76 -6.844 11.565 -8.977 1.00 0.00 C ATOM 1182 OG1 THR A 76 -7.023 12.535 -9.999 1.00 0.00 O ATOM 1183 CG2 THR A 76 -7.138 12.199 -7.615 1.00 0.00 C ATOM 0 H THR A 76 -5.132 9.287 -10.173 1.00 0.00 H new ATOM 0 HA THR A 76 -4.709 11.890 -8.959 1.00 0.00 H new ATOM 0 HB THR A 76 -7.527 10.731 -9.140 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.152 12.776 -10.377 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.165 12.563 -7.597 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.004 11.454 -6.830 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.455 13.031 -7.446 1.00 0.00 H new ATOM 1191 N ALA A 77 -5.470 8.855 -7.937 1.00 0.00 N ATOM 1192 CA ALA A 77 -5.273 7.938 -6.772 1.00 0.00 C ATOM 1193 C ALA A 77 -4.952 6.521 -7.245 1.00 0.00 C ATOM 1194 O ALA A 77 -5.333 6.105 -8.324 1.00 0.00 O ATOM 1195 CB ALA A 77 -6.548 7.907 -5.930 1.00 0.00 C ATOM 0 H ALA A 77 -5.835 8.419 -8.784 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.437 8.308 -6.178 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.407 7.239 -5.080 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.770 8.911 -5.569 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.378 7.548 -6.539 1.00 0.00 H new ATOM 1201 N ILE A 78 -4.248 5.776 -6.426 1.00 0.00 N ATOM 1202 CA ILE A 78 -3.873 4.374 -6.781 1.00 0.00 C ATOM 1203 C ILE A 78 -4.269 3.435 -5.641 1.00 0.00 C ATOM 1204 O ILE A 78 -4.528 3.860 -4.532 1.00 0.00 O ATOM 1205 CB ILE A 78 -2.363 4.297 -7.006 1.00 0.00 C ATOM 1206 CG1 ILE A 78 -1.992 5.134 -8.232 1.00 0.00 C ATOM 1207 CG2 ILE A 78 -1.947 2.840 -7.231 1.00 0.00 C ATOM 1208 CD1 ILE A 78 -0.473 5.295 -8.307 1.00 0.00 C ATOM 0 H ILE A 78 -3.914 6.087 -5.514 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.393 4.076 -7.691 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.844 4.684 -6.129 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.361 4.653 -9.138 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.468 6.113 -8.174 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.870 2.790 -7.391 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.212 2.247 -6.356 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.463 2.445 -8.107 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.213 5.892 -9.181 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.115 5.795 -7.407 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.007 4.313 -8.386 1.00 0.00 H new ATOM 1220 N GLU A 79 -4.324 2.155 -5.910 1.00 0.00 N ATOM 1221 CA GLU A 79 -4.709 1.177 -4.849 1.00 0.00 C ATOM 1222 C GLU A 79 -3.841 -0.076 -4.962 1.00 0.00 C ATOM 1223 O GLU A 79 -3.370 -0.432 -6.027 1.00 0.00 O ATOM 1224 CB GLU A 79 -6.180 0.793 -5.024 1.00 0.00 C ATOM 1225 CG GLU A 79 -6.594 -0.188 -3.921 1.00 0.00 C ATOM 1226 CD GLU A 79 -8.080 -0.517 -4.055 1.00 0.00 C ATOM 1227 OE1 GLU A 79 -8.500 -0.834 -5.157 1.00 0.00 O ATOM 1228 OE2 GLU A 79 -8.774 -0.446 -3.055 1.00 0.00 O ATOM 0 H GLU A 79 -4.118 1.745 -6.821 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.561 1.631 -3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.806 1.685 -4.984 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.333 0.340 -6.003 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.002 -1.100 -3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.395 0.246 -2.941 1.00 0.00 H new ATOM 1235 N ALA A 80 -3.630 -0.753 -3.862 1.00 0.00 N ATOM 1236 CA ALA A 80 -2.799 -1.990 -3.883 1.00 0.00 C ATOM 1237 C ALA A 80 -3.367 -3.001 -2.889 1.00 0.00 C ATOM 1238 O ALA A 80 -3.896 -2.640 -1.856 1.00 0.00 O ATOM 1239 CB ALA A 80 -1.362 -1.649 -3.492 1.00 0.00 C ATOM 0 H ALA A 80 -4.001 -0.499 -2.946 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.811 -2.416 -4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.756 -2.555 -3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.954 -0.927 -4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.349 -1.222 -2.489 1.00 0.00 H new ATOM 1245 N THR A 81 -3.265 -4.269 -3.207 1.00 0.00 N ATOM 1246 CA THR A 81 -3.797 -5.333 -2.301 1.00 0.00 C ATOM 1247 C THR A 81 -2.678 -6.304 -1.934 1.00 0.00 C ATOM 1248 O THR A 81 -1.933 -6.761 -2.780 1.00 0.00 O ATOM 1249 CB THR A 81 -4.914 -6.095 -3.010 1.00 0.00 C ATOM 1250 OG1 THR A 81 -5.965 -5.194 -3.330 1.00 0.00 O ATOM 1251 CG2 THR A 81 -5.443 -7.200 -2.093 1.00 0.00 C ATOM 0 H THR A 81 -2.832 -4.614 -4.063 1.00 0.00 H new ATOM 0 HA THR A 81 -4.187 -4.870 -1.395 1.00 0.00 H new ATOM 0 HB THR A 81 -4.528 -6.544 -3.925 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.684 -5.679 -3.787 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.240 -7.743 -2.600 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.634 -7.888 -1.848 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.832 -6.757 -1.176 1.00 0.00 H new ATOM 1259 N VAL A 82 -2.554 -6.621 -0.668 1.00 0.00 N ATOM 1260 CA VAL A 82 -1.485 -7.558 -0.214 1.00 0.00 C ATOM 1261 C VAL A 82 -2.127 -8.849 0.299 1.00 0.00 C ATOM 1262 O VAL A 82 -3.071 -8.833 1.068 1.00 0.00 O ATOM 1263 CB VAL A 82 -0.681 -6.892 0.905 1.00 0.00 C ATOM 1264 CG1 VAL A 82 0.259 -7.914 1.545 1.00 0.00 C ATOM 1265 CG2 VAL A 82 0.140 -5.745 0.313 1.00 0.00 C ATOM 0 H VAL A 82 -3.155 -6.266 0.076 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.820 -7.797 -1.044 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.361 -6.508 1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.829 -7.435 2.341 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.325 -8.735 1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.944 -8.301 0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.716 -5.264 1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.819 -6.137 -0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.530 -5.016 -0.143 1.00 0.00 H new ATOM 1275 N ILE A 83 -1.615 -9.969 -0.138 1.00 0.00 N ATOM 1276 CA ILE A 83 -2.172 -11.281 0.293 1.00 0.00 C ATOM 1277 C ILE A 83 -1.719 -11.598 1.720 1.00 0.00 C ATOM 1278 O ILE A 83 -0.551 -11.515 2.048 1.00 0.00 O ATOM 1279 CB ILE A 83 -1.668 -12.373 -0.649 1.00 0.00 C ATOM 1280 CG1 ILE A 83 -1.906 -11.950 -2.105 1.00 0.00 C ATOM 1281 CG2 ILE A 83 -2.404 -13.682 -0.364 1.00 0.00 C ATOM 1282 CD1 ILE A 83 -3.375 -11.556 -2.309 1.00 0.00 C ATOM 0 H ILE A 83 -0.826 -10.029 -0.782 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.261 -11.237 0.264 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.600 -12.521 -0.488 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.258 -11.111 -2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.645 -12.768 -2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.041 -14.458 -1.038 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.223 -13.984 0.668 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.474 -13.539 -0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.531 -11.258 -3.346 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.016 -12.406 -2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.623 -10.723 -1.651 1.00 0.00 H new ATOM 1294 N LEU A 84 -2.646 -11.967 2.566 1.00 0.00 N ATOM 1295 CA LEU A 84 -2.313 -12.303 3.983 1.00 0.00 C ATOM 1296 C LEU A 84 -2.789 -13.730 4.269 1.00 0.00 C ATOM 1297 O LEU A 84 -3.233 -14.051 5.356 1.00 0.00 O ATOM 1298 CB LEU A 84 -3.021 -11.310 4.909 1.00 0.00 C ATOM 1299 CG LEU A 84 -2.688 -9.874 4.476 1.00 0.00 C ATOM 1300 CD1 LEU A 84 -3.534 -8.887 5.284 1.00 0.00 C ATOM 1301 CD2 LEU A 84 -1.200 -9.584 4.722 1.00 0.00 C ATOM 0 H LEU A 84 -3.635 -12.051 2.331 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.238 -12.240 4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.099 -11.470 4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.707 -11.472 5.940 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.906 -9.763 3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.297 -7.868 4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.591 -9.083 5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.317 -9.005 6.346 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.972 -8.564 4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.977 -9.700 5.783 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.593 -10.282 4.146 1.00 0.00 H new ATOM 1313 N ASN A 85 -2.687 -14.589 3.292 1.00 0.00 N ATOM 1314 CA ASN A 85 -3.120 -16.004 3.476 1.00 0.00 C ATOM 1315 C ASN A 85 -2.232 -16.679 4.526 1.00 0.00 C ATOM 1316 O ASN A 85 -2.686 -17.474 5.327 1.00 0.00 O ATOM 1317 CB ASN A 85 -2.972 -16.753 2.146 1.00 0.00 C ATOM 1318 CG ASN A 85 -4.037 -16.271 1.161 1.00 0.00 C ATOM 1319 OD1 ASN A 85 -5.020 -15.680 1.556 1.00 0.00 O ATOM 1320 ND2 ASN A 85 -3.881 -16.500 -0.116 1.00 0.00 N ATOM 0 H ASN A 85 -2.319 -14.369 2.366 1.00 0.00 H new ATOM 0 HA ASN A 85 -4.159 -16.025 3.804 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -1.978 -16.585 1.732 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.073 -17.826 2.309 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.586 -16.182 -0.781 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -3.054 -16.997 -0.448 1.00 0.00 H new ATOM 1327 N SER A 86 -0.962 -16.385 4.514 1.00 0.00 N ATOM 1328 CA SER A 86 -0.043 -17.028 5.490 1.00 0.00 C ATOM 1329 C SER A 86 -0.279 -16.454 6.896 1.00 0.00 C ATOM 1330 O SER A 86 -0.750 -15.345 7.065 1.00 0.00 O ATOM 1331 CB SER A 86 1.406 -16.756 5.065 1.00 0.00 C ATOM 1332 OG SER A 86 1.850 -15.554 5.674 1.00 0.00 O ATOM 0 H SER A 86 -0.522 -15.727 3.870 1.00 0.00 H new ATOM 0 HA SER A 86 -0.232 -18.101 5.510 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.047 -17.587 5.361 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.471 -16.674 3.980 1.00 0.00 H new ATOM 0 HG SER A 86 2.830 -15.534 5.682 1.00 0.00 H new ATOM 1338 N GLN A 87 0.066 -17.211 7.900 1.00 0.00 N ATOM 1339 CA GLN A 87 -0.099 -16.753 9.307 1.00 0.00 C ATOM 1340 C GLN A 87 1.043 -15.796 9.710 1.00 0.00 C ATOM 1341 O GLN A 87 0.809 -14.806 10.377 1.00 0.00 O ATOM 1342 CB GLN A 87 -0.097 -17.978 10.243 1.00 0.00 C ATOM 1343 CG GLN A 87 -0.649 -19.207 9.505 1.00 0.00 C ATOM 1344 CD GLN A 87 0.455 -19.866 8.668 1.00 0.00 C ATOM 1345 OE1 GLN A 87 0.398 -19.859 7.453 1.00 0.00 O ATOM 1346 NE2 GLN A 87 1.464 -20.436 9.268 1.00 0.00 N ATOM 0 H GLN A 87 0.463 -18.146 7.802 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.045 -16.218 9.392 1.00 0.00 H new ATOM 0 HB2 GLN A 87 0.916 -18.178 10.591 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -0.702 -17.772 11.126 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.046 -19.923 10.224 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.476 -18.911 8.860 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.514 -20.443 10.287 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.203 -20.874 8.718 1.00 0.00 H new ATOM 1355 N PRO A 88 2.278 -16.092 9.347 1.00 0.00 N ATOM 1356 CA PRO A 88 3.439 -15.230 9.724 1.00 0.00 C ATOM 1357 C PRO A 88 3.353 -13.855 9.061 1.00 0.00 C ATOM 1358 O PRO A 88 3.893 -12.878 9.544 1.00 0.00 O ATOM 1359 CB PRO A 88 4.665 -16.020 9.226 1.00 0.00 C ATOM 1360 CG PRO A 88 4.144 -16.901 8.139 1.00 0.00 C ATOM 1361 CD PRO A 88 2.710 -17.248 8.527 1.00 0.00 C ATOM 0 HA PRO A 88 3.479 -15.028 10.794 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.441 -15.351 8.853 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.109 -16.607 10.030 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.175 -16.391 7.176 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.751 -17.802 8.043 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.077 -17.375 7.649 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.662 -18.179 9.091 1.00 0.00 H new ATOM 1369 N GLU A 89 2.667 -13.776 7.956 1.00 0.00 N ATOM 1370 CA GLU A 89 2.525 -12.473 7.254 1.00 0.00 C ATOM 1371 C GLU A 89 1.611 -11.557 8.070 1.00 0.00 C ATOM 1372 O GLU A 89 1.813 -10.359 8.141 1.00 0.00 O ATOM 1373 CB GLU A 89 1.914 -12.714 5.871 1.00 0.00 C ATOM 1374 CG GLU A 89 1.809 -11.400 5.099 1.00 0.00 C ATOM 1375 CD GLU A 89 3.213 -10.917 4.739 1.00 0.00 C ATOM 1376 OE1 GLU A 89 4.143 -11.686 4.914 1.00 0.00 O ATOM 1377 OE2 GLU A 89 3.335 -9.785 4.306 1.00 0.00 O ATOM 0 H GLU A 89 2.197 -14.562 7.508 1.00 0.00 H new ATOM 0 HA GLU A 89 3.502 -12.002 7.143 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.527 -13.422 5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.926 -13.161 5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.217 -11.542 4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.296 -10.650 5.701 1.00 0.00 H new ATOM 1384 N TRP A 90 0.601 -12.109 8.680 1.00 0.00 N ATOM 1385 CA TRP A 90 -0.334 -11.279 9.489 1.00 0.00 C ATOM 1386 C TRP A 90 0.431 -10.621 10.644 1.00 0.00 C ATOM 1387 O TRP A 90 0.240 -9.460 10.956 1.00 0.00 O ATOM 1388 CB TRP A 90 -1.444 -12.181 10.060 1.00 0.00 C ATOM 1389 CG TRP A 90 -2.582 -12.281 9.096 1.00 0.00 C ATOM 1390 CD1 TRP A 90 -2.908 -13.385 8.385 1.00 0.00 C ATOM 1391 CD2 TRP A 90 -3.544 -11.254 8.729 1.00 0.00 C ATOM 1392 NE1 TRP A 90 -4.014 -13.099 7.603 1.00 0.00 N ATOM 1393 CE2 TRP A 90 -4.441 -11.796 7.780 1.00 0.00 C ATOM 1394 CE3 TRP A 90 -3.721 -9.916 9.122 1.00 0.00 C ATOM 1395 CZ2 TRP A 90 -5.481 -11.038 7.243 1.00 0.00 C ATOM 1396 CZ3 TRP A 90 -4.766 -9.150 8.584 1.00 0.00 C ATOM 1397 CH2 TRP A 90 -5.643 -9.709 7.644 1.00 0.00 C ATOM 0 H TRP A 90 0.381 -13.105 8.653 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.774 -10.505 8.860 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -1.045 -13.174 10.265 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -1.797 -11.777 11.009 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -2.391 -14.333 8.421 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -4.459 -13.767 6.974 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -3.048 -9.475 9.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -6.156 -11.475 6.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -4.896 -8.124 8.896 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -6.443 -9.113 7.230 1.00 0.00 H new ATOM 1408 N ASP A 91 1.285 -11.365 11.284 1.00 0.00 N ATOM 1409 CA ASP A 91 2.057 -10.801 12.427 1.00 0.00 C ATOM 1410 C ASP A 91 2.906 -9.619 11.949 1.00 0.00 C ATOM 1411 O ASP A 91 2.887 -8.546 12.525 1.00 0.00 O ATOM 1412 CB ASP A 91 2.984 -11.885 12.981 1.00 0.00 C ATOM 1413 CG ASP A 91 2.171 -12.944 13.726 1.00 0.00 C ATOM 1414 OD1 ASP A 91 1.020 -12.676 14.028 1.00 0.00 O ATOM 1415 OD2 ASP A 91 2.713 -14.007 13.982 1.00 0.00 O ATOM 0 H ASP A 91 1.484 -12.341 11.066 1.00 0.00 H new ATOM 0 HA ASP A 91 1.366 -10.462 13.199 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.540 -12.349 12.167 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.717 -11.439 13.653 1.00 0.00 H new ATOM 1420 N ARG A 92 3.646 -9.812 10.895 1.00 0.00 N ATOM 1421 CA ARG A 92 4.498 -8.712 10.357 1.00 0.00 C ATOM 1422 C ARG A 92 3.605 -7.620 9.761 1.00 0.00 C ATOM 1423 O ARG A 92 3.848 -6.438 9.918 1.00 0.00 O ATOM 1424 CB ARG A 92 5.421 -9.270 9.271 1.00 0.00 C ATOM 1425 CG ARG A 92 6.353 -8.166 8.767 1.00 0.00 C ATOM 1426 CD ARG A 92 7.380 -8.755 7.791 1.00 0.00 C ATOM 1427 NE ARG A 92 6.678 -9.302 6.592 1.00 0.00 N ATOM 1428 CZ ARG A 92 7.340 -9.978 5.689 1.00 0.00 C ATOM 1429 NH1 ARG A 92 8.624 -10.172 5.814 1.00 0.00 N ATOM 1430 NH2 ARG A 92 6.711 -10.461 4.651 1.00 0.00 N ATOM 0 H ARG A 92 3.699 -10.690 10.378 1.00 0.00 H new ATOM 0 HA ARG A 92 5.099 -8.288 11.162 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.006 -10.099 9.669 1.00 0.00 H new ATOM 0 HB3 ARG A 92 4.829 -9.665 8.445 1.00 0.00 H new ATOM 0 HG2 ARG A 92 5.774 -7.387 8.272 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.864 -7.698 9.608 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.091 -7.986 7.489 1.00 0.00 H new ATOM 0 HD3 ARG A 92 7.951 -9.543 8.281 1.00 0.00 H new ATOM 0 HE ARG A 92 5.676 -9.148 6.477 1.00 0.00 H new ATOM 0 HH11 ARG A 92 9.121 -9.795 6.621 1.00 0.00 H new ATOM 0 HH12 ARG A 92 9.131 -10.701 5.104 1.00 0.00 H new ATOM 0 HH21 ARG A 92 5.708 -10.310 4.547 1.00 0.00 H new ATOM 0 HH22 ARG A 92 7.223 -10.989 3.944 1.00 0.00 H new ATOM 1444 N PHE A 93 2.571 -8.015 9.075 1.00 0.00 N ATOM 1445 CA PHE A 93 1.646 -7.019 8.459 1.00 0.00 C ATOM 1446 C PHE A 93 1.018 -6.150 9.553 1.00 0.00 C ATOM 1447 O PHE A 93 0.953 -4.939 9.446 1.00 0.00 O ATOM 1448 CB PHE A 93 0.539 -7.762 7.713 1.00 0.00 C ATOM 1449 CG PHE A 93 -0.344 -6.769 7.000 1.00 0.00 C ATOM 1450 CD1 PHE A 93 0.009 -6.313 5.724 1.00 0.00 C ATOM 1451 CD2 PHE A 93 -1.511 -6.300 7.614 1.00 0.00 C ATOM 1452 CE1 PHE A 93 -0.805 -5.387 5.064 1.00 0.00 C ATOM 1453 CE2 PHE A 93 -2.326 -5.376 6.953 1.00 0.00 C ATOM 1454 CZ PHE A 93 -1.974 -4.919 5.678 1.00 0.00 C ATOM 0 H PHE A 93 2.323 -8.991 8.912 1.00 0.00 H new ATOM 0 HA PHE A 93 2.202 -6.385 7.769 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.974 -8.458 6.996 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -0.052 -8.353 8.413 1.00 0.00 H new ATOM 0 HD1 PHE A 93 0.909 -6.676 5.250 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.782 -6.652 8.598 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.532 -5.033 4.081 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -3.227 -5.015 7.426 1.00 0.00 H new ATOM 0 HZ PHE A 93 -2.604 -4.205 5.167 1.00 0.00 H new ATOM 1464 N MET A 94 0.554 -6.764 10.605 1.00 0.00 N ATOM 1465 CA MET A 94 -0.069 -5.986 11.717 1.00 0.00 C ATOM 1466 C MET A 94 0.978 -5.060 12.344 1.00 0.00 C ATOM 1467 O MET A 94 0.728 -3.901 12.611 1.00 0.00 O ATOM 1468 CB MET A 94 -0.575 -6.961 12.779 1.00 0.00 C ATOM 1469 CG MET A 94 -1.275 -6.191 13.899 1.00 0.00 C ATOM 1470 SD MET A 94 -1.936 -7.362 15.114 1.00 0.00 S ATOM 1471 CE MET A 94 -0.352 -7.996 15.723 1.00 0.00 C ATOM 0 H MET A 94 0.578 -7.774 10.745 1.00 0.00 H new ATOM 0 HA MET A 94 -0.896 -5.390 11.331 1.00 0.00 H new ATOM 0 HB2 MET A 94 -1.265 -7.675 12.330 1.00 0.00 H new ATOM 0 HB3 MET A 94 0.258 -7.535 13.185 1.00 0.00 H new ATOM 0 HG2 MET A 94 -0.574 -5.509 14.379 1.00 0.00 H new ATOM 0 HG3 MET A 94 -2.081 -5.583 13.488 1.00 0.00 H new ATOM 0 HE1 MET A 94 -0.478 -8.376 16.737 1.00 0.00 H new ATOM 0 HE2 MET A 94 -0.008 -8.801 15.073 1.00 0.00 H new ATOM 0 HE3 MET A 94 0.385 -7.193 15.726 1.00 0.00 H new ATOM 1481 N ARG A 95 2.152 -5.575 12.578 1.00 0.00 N ATOM 1482 CA ARG A 95 3.237 -4.748 13.183 1.00 0.00 C ATOM 1483 C ARG A 95 3.636 -3.626 12.218 1.00 0.00 C ATOM 1484 O ARG A 95 3.930 -2.516 12.622 1.00 0.00 O ATOM 1485 CB ARG A 95 4.451 -5.636 13.460 1.00 0.00 C ATOM 1486 CG ARG A 95 4.155 -6.572 14.635 1.00 0.00 C ATOM 1487 CD ARG A 95 5.360 -7.487 14.881 1.00 0.00 C ATOM 1488 NE ARG A 95 5.084 -8.365 16.054 1.00 0.00 N ATOM 1489 CZ ARG A 95 6.052 -9.028 16.631 1.00 0.00 C ATOM 1490 NH1 ARG A 95 7.273 -8.946 16.176 1.00 0.00 N ATOM 1491 NH2 ARG A 95 5.797 -9.779 17.667 1.00 0.00 N ATOM 0 H ARG A 95 2.410 -6.541 12.375 1.00 0.00 H new ATOM 0 HA ARG A 95 2.880 -4.309 14.115 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.696 -6.219 12.572 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.320 -5.018 13.686 1.00 0.00 H new ATOM 0 HG2 ARG A 95 3.939 -5.990 15.531 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.269 -7.170 14.422 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.556 -8.094 13.997 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.253 -6.889 15.062 1.00 0.00 H new ATOM 0 HE ARG A 95 4.132 -8.449 16.409 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.477 -8.362 15.365 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.023 -9.466 16.631 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.844 -9.848 18.025 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.550 -10.297 18.119 1.00 0.00 H new ATOM 1505 N PHE A 96 3.655 -3.912 10.948 1.00 0.00 N ATOM 1506 CA PHE A 96 4.034 -2.873 9.945 1.00 0.00 C ATOM 1507 C PHE A 96 3.069 -1.690 10.038 1.00 0.00 C ATOM 1508 O PHE A 96 3.466 -0.539 10.039 1.00 0.00 O ATOM 1509 CB PHE A 96 3.949 -3.484 8.546 1.00 0.00 C ATOM 1510 CG PHE A 96 4.283 -2.440 7.502 1.00 0.00 C ATOM 1511 CD1 PHE A 96 5.602 -1.999 7.352 1.00 0.00 C ATOM 1512 CD2 PHE A 96 3.273 -1.915 6.682 1.00 0.00 C ATOM 1513 CE1 PHE A 96 5.914 -1.035 6.383 1.00 0.00 C ATOM 1514 CE2 PHE A 96 3.585 -0.952 5.715 1.00 0.00 C ATOM 1515 CZ PHE A 96 4.905 -0.512 5.566 1.00 0.00 C ATOM 0 H PHE A 96 3.423 -4.825 10.557 1.00 0.00 H new ATOM 0 HA PHE A 96 5.048 -2.526 10.142 1.00 0.00 H new ATOM 0 HB2 PHE A 96 4.639 -4.324 8.465 1.00 0.00 H new ATOM 0 HB3 PHE A 96 2.947 -3.876 8.372 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.381 -2.401 7.983 1.00 0.00 H new ATOM 0 HD2 PHE A 96 2.254 -2.254 6.797 1.00 0.00 H new ATOM 0 HE1 PHE A 96 6.933 -0.696 6.267 1.00 0.00 H new ATOM 0 HE2 PHE A 96 2.807 -0.549 5.084 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.145 0.231 4.820 1.00 0.00 H new ATOM 1525 N MET A 97 1.800 -1.968 10.115 1.00 0.00 N ATOM 1526 CA MET A 97 0.793 -0.874 10.214 1.00 0.00 C ATOM 1527 C MET A 97 0.991 -0.122 11.534 1.00 0.00 C ATOM 1528 O MET A 97 0.886 1.089 11.599 1.00 0.00 O ATOM 1529 CB MET A 97 -0.608 -1.480 10.184 1.00 0.00 C ATOM 1530 CG MET A 97 -0.943 -1.932 8.761 1.00 0.00 C ATOM 1531 SD MET A 97 -2.574 -2.718 8.748 1.00 0.00 S ATOM 1532 CE MET A 97 -3.542 -1.255 9.196 1.00 0.00 C ATOM 0 H MET A 97 1.413 -2.912 10.114 1.00 0.00 H new ATOM 0 HA MET A 97 0.914 -0.184 9.379 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.663 -2.327 10.868 1.00 0.00 H new ATOM 0 HB3 MET A 97 -1.339 -0.747 10.525 1.00 0.00 H new ATOM 0 HG2 MET A 97 -0.934 -1.077 8.084 1.00 0.00 H new ATOM 0 HG3 MET A 97 -0.187 -2.631 8.402 1.00 0.00 H new ATOM 0 HE1 MET A 97 -4.541 -1.335 8.768 1.00 0.00 H new ATOM 0 HE2 MET A 97 -3.616 -1.186 10.281 1.00 0.00 H new ATOM 0 HE3 MET A 97 -3.052 -0.362 8.808 1.00 0.00 H new ATOM 1542 N GLU A 98 1.272 -0.838 12.586 1.00 0.00 N ATOM 1543 CA GLU A 98 1.483 -0.179 13.907 1.00 0.00 C ATOM 1544 C GLU A 98 2.783 0.631 13.873 1.00 0.00 C ATOM 1545 O GLU A 98 2.840 1.765 14.311 1.00 0.00 O ATOM 1546 CB GLU A 98 1.581 -1.253 14.993 1.00 0.00 C ATOM 1547 CG GLU A 98 0.218 -1.925 15.175 1.00 0.00 C ATOM 1548 CD GLU A 98 0.323 -3.037 16.221 1.00 0.00 C ATOM 1549 OE1 GLU A 98 1.400 -3.219 16.762 1.00 0.00 O ATOM 1550 OE2 GLU A 98 -0.681 -3.687 16.467 1.00 0.00 O ATOM 0 H GLU A 98 1.365 -1.854 12.589 1.00 0.00 H new ATOM 0 HA GLU A 98 0.648 0.487 14.122 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.330 -1.996 14.718 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.906 -0.806 15.933 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.522 -1.188 15.487 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.124 -2.337 14.226 1.00 0.00 H new ATOM 1557 N ARG A 99 3.826 0.055 13.344 1.00 0.00 N ATOM 1558 CA ARG A 99 5.127 0.783 13.261 1.00 0.00 C ATOM 1559 C ARG A 99 4.999 1.957 12.287 1.00 0.00 C ATOM 1560 O ARG A 99 5.527 3.030 12.509 1.00 0.00 O ATOM 1561 CB ARG A 99 6.209 -0.176 12.764 1.00 0.00 C ATOM 1562 CG ARG A 99 6.537 -1.196 13.856 1.00 0.00 C ATOM 1563 CD ARG A 99 7.592 -2.176 13.340 1.00 0.00 C ATOM 1564 NE ARG A 99 7.908 -3.176 14.405 1.00 0.00 N ATOM 1565 CZ ARG A 99 8.840 -2.935 15.292 1.00 0.00 C ATOM 1566 NH1 ARG A 99 9.510 -1.815 15.264 1.00 0.00 N ATOM 1567 NH2 ARG A 99 9.099 -3.821 16.214 1.00 0.00 N ATOM 0 H ARG A 99 3.835 -0.891 12.964 1.00 0.00 H new ATOM 0 HA ARG A 99 5.396 1.162 14.247 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.868 -0.689 11.865 1.00 0.00 H new ATOM 0 HB3 ARG A 99 7.106 0.381 12.493 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.904 -0.686 14.746 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.636 -1.736 14.147 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.226 -2.683 12.447 1.00 0.00 H new ATOM 0 HD3 ARG A 99 8.495 -1.637 13.053 1.00 0.00 H new ATOM 0 HE ARG A 99 7.392 -4.055 14.441 1.00 0.00 H new ATOM 0 HH11 ARG A 99 9.309 -1.118 14.547 1.00 0.00 H new ATOM 0 HH12 ARG A 99 10.234 -1.637 15.960 1.00 0.00 H new ATOM 0 HH21 ARG A 99 8.576 -4.696 16.241 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.824 -3.638 16.908 1.00 0.00 H new ATOM 1581 N TYR A 100 4.298 1.759 11.207 1.00 0.00 N ATOM 1582 CA TYR A 100 4.125 2.855 10.211 1.00 0.00 C ATOM 1583 C TYR A 100 3.412 4.035 10.874 1.00 0.00 C ATOM 1584 O TYR A 100 3.801 5.179 10.732 1.00 0.00 O ATOM 1585 CB TYR A 100 3.275 2.344 9.044 1.00 0.00 C ATOM 1586 CG TYR A 100 3.016 3.471 8.071 1.00 0.00 C ATOM 1587 CD1 TYR A 100 4.031 3.883 7.200 1.00 0.00 C ATOM 1588 CD2 TYR A 100 1.768 4.107 8.042 1.00 0.00 C ATOM 1589 CE1 TYR A 100 3.798 4.928 6.297 1.00 0.00 C ATOM 1590 CE2 TYR A 100 1.535 5.153 7.140 1.00 0.00 C ATOM 1591 CZ TYR A 100 2.552 5.563 6.269 1.00 0.00 C ATOM 1592 OH TYR A 100 2.323 6.595 5.381 1.00 0.00 O ATOM 0 H TYR A 100 3.835 0.882 10.969 1.00 0.00 H new ATOM 0 HA TYR A 100 5.100 3.176 9.845 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.788 1.525 8.539 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.330 1.947 9.416 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.994 3.395 7.224 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.985 3.791 8.715 1.00 0.00 H new ATOM 0 HE1 TYR A 100 4.580 5.243 5.622 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.573 5.642 7.116 1.00 0.00 H new ATOM 0 HH TYR A 100 2.868 6.462 4.577 1.00 0.00 H new ATOM 1602 N GLY A 101 2.366 3.756 11.600 1.00 0.00 N ATOM 1603 CA GLY A 101 1.613 4.844 12.287 1.00 0.00 C ATOM 1604 C GLY A 101 2.497 5.495 13.354 1.00 0.00 C ATOM 1605 O GLY A 101 2.422 6.684 13.604 1.00 0.00 O ATOM 0 H GLY A 101 1.998 2.816 11.748 1.00 0.00 H new ATOM 0 HA2 GLY A 101 1.294 5.592 11.561 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.711 4.440 12.746 1.00 0.00 H new ATOM 1609 N ALA A 102 3.335 4.722 13.986 1.00 0.00 N ATOM 1610 CA ALA A 102 4.229 5.288 15.036 1.00 0.00 C ATOM 1611 C ALA A 102 5.215 6.270 14.395 1.00 0.00 C ATOM 1612 O ALA A 102 5.533 7.306 14.950 1.00 0.00 O ATOM 1613 CB ALA A 102 5.007 4.150 15.697 1.00 0.00 C ATOM 0 H ALA A 102 3.440 3.721 13.821 1.00 0.00 H new ATOM 0 HA ALA A 102 3.631 5.811 15.783 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.663 4.557 16.466 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.308 3.447 16.151 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.605 3.634 14.946 1.00 0.00 H new ATOM 1619 N GLU A 103 5.697 5.948 13.230 1.00 0.00 N ATOM 1620 CA GLU A 103 6.660 6.851 12.536 1.00 0.00 C ATOM 1621 C GLU A 103 5.937 8.125 12.085 1.00 0.00 C ATOM 1622 O GLU A 103 6.473 9.216 12.143 1.00 0.00 O ATOM 1623 CB GLU A 103 7.225 6.127 11.312 1.00 0.00 C ATOM 1624 CG GLU A 103 8.105 4.953 11.753 1.00 0.00 C ATOM 1625 CD GLU A 103 9.344 5.480 12.477 1.00 0.00 C ATOM 1626 OE1 GLU A 103 10.019 6.324 11.914 1.00 0.00 O ATOM 1627 OE2 GLU A 103 9.598 5.030 13.582 1.00 0.00 O ATOM 0 H GLU A 103 5.465 5.093 12.724 1.00 0.00 H new ATOM 0 HA GLU A 103 7.469 7.118 13.216 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.410 5.765 10.686 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.808 6.821 10.707 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.542 4.291 12.411 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.402 4.363 10.886 1.00 0.00 H new ATOM 1634 N ASN A 104 4.720 7.991 11.637 1.00 0.00 N ATOM 1635 CA ASN A 104 3.949 9.185 11.182 1.00 0.00 C ATOM 1636 C ASN A 104 3.350 9.900 12.396 1.00 0.00 C ATOM 1637 O ASN A 104 3.804 10.953 12.804 1.00 0.00 O ATOM 1638 CB ASN A 104 2.814 8.737 10.259 1.00 0.00 C ATOM 1639 CG ASN A 104 3.380 7.947 9.079 1.00 0.00 C ATOM 1640 OD1 ASN A 104 2.774 6.994 8.625 1.00 0.00 O ATOM 1641 ND2 ASN A 104 4.519 8.304 8.557 1.00 0.00 N ATOM 0 H ASN A 104 4.223 7.103 11.566 1.00 0.00 H new ATOM 0 HA ASN A 104 4.616 9.862 10.647 1.00 0.00 H new ATOM 0 HB2 ASN A 104 2.105 8.121 10.813 1.00 0.00 H new ATOM 0 HB3 ASN A 104 2.265 9.606 9.896 1.00 0.00 H new ATOM 0 HD21 ASN A 104 4.903 7.785 7.768 1.00 0.00 H new ATOM 0 HD22 ASN A 104 5.026 9.103 8.938 1.00 0.00 H new ATOM 1648 N GLY A 105 2.325 9.332 12.972 1.00 0.00 N ATOM 1649 CA GLY A 105 1.678 9.963 14.161 1.00 0.00 C ATOM 1650 C GLY A 105 0.179 9.647 14.150 1.00 0.00 C ATOM 1651 O GLY A 105 -0.652 10.504 14.390 1.00 0.00 O ATOM 0 H GLY A 105 1.905 8.453 12.669 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.133 9.589 15.078 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.834 11.042 14.144 1.00 0.00 H new ATOM 1655 N LEU A 106 -0.170 8.421 13.870 1.00 0.00 N ATOM 1656 CA LEU A 106 -1.611 8.044 13.842 1.00 0.00 C ATOM 1657 C LEU A 106 -1.742 6.523 13.792 1.00 0.00 C ATOM 1658 O LEU A 106 -1.137 5.858 12.971 1.00 0.00 O ATOM 1659 CB LEU A 106 -2.290 8.661 12.613 1.00 0.00 C ATOM 1660 CG LEU A 106 -1.641 8.121 11.308 1.00 0.00 C ATOM 1661 CD1 LEU A 106 -2.523 7.030 10.679 1.00 0.00 C ATOM 1662 CD2 LEU A 106 -1.468 9.267 10.302 1.00 0.00 C ATOM 0 H LEU A 106 0.481 7.664 13.659 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.096 8.420 14.743 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.354 8.426 12.621 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.203 9.747 12.648 1.00 0.00 H new ATOM 0 HG LEU A 106 -0.669 7.695 11.557 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.053 6.664 9.766 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.640 6.206 11.383 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -3.502 7.446 10.441 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -1.013 8.884 9.389 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.442 9.697 10.069 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.826 10.035 10.733 1.00 0.00 H new ATOM 1674 N GLY A 107 -2.533 5.970 14.671 1.00 0.00 N ATOM 1675 CA GLY A 107 -2.725 4.491 14.704 1.00 0.00 C ATOM 1676 C GLY A 107 -4.015 4.121 13.969 1.00 0.00 C ATOM 1677 O GLY A 107 -3.998 3.477 12.936 1.00 0.00 O ATOM 0 H GLY A 107 -3.060 6.486 15.376 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -1.874 3.994 14.238 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -2.771 4.144 15.736 1.00 0.00 H new ATOM 1681 N PHE A 108 -5.136 4.518 14.505 1.00 0.00 N ATOM 1682 CA PHE A 108 -6.436 4.187 13.855 1.00 0.00 C ATOM 1683 C PHE A 108 -6.696 5.123 12.670 1.00 0.00 C ATOM 1684 O PHE A 108 -6.368 6.295 12.702 1.00 0.00 O ATOM 1685 CB PHE A 108 -7.568 4.322 14.876 1.00 0.00 C ATOM 1686 CG PHE A 108 -7.661 5.750 15.364 1.00 0.00 C ATOM 1687 CD1 PHE A 108 -8.458 6.676 14.677 1.00 0.00 C ATOM 1688 CD2 PHE A 108 -6.958 6.149 16.509 1.00 0.00 C ATOM 1689 CE1 PHE A 108 -8.548 7.997 15.132 1.00 0.00 C ATOM 1690 CE2 PHE A 108 -7.048 7.469 16.964 1.00 0.00 C ATOM 1691 CZ PHE A 108 -7.845 8.394 16.277 1.00 0.00 C ATOM 0 H PHE A 108 -5.208 5.059 15.367 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.395 3.162 13.488 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.513 4.022 14.424 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -7.390 3.653 15.718 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -9.003 6.370 13.796 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.346 5.436 17.041 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -9.160 8.710 14.600 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -6.503 7.775 17.845 1.00 0.00 H new ATOM 0 HZ PHE A 108 -7.917 9.412 16.630 1.00 0.00 H new ATOM 1701 N SER A 109 -7.291 4.603 11.621 1.00 0.00 N ATOM 1702 CA SER A 109 -7.592 5.431 10.411 1.00 0.00 C ATOM 1703 C SER A 109 -9.110 5.504 10.201 1.00 0.00 C ATOM 1704 O SER A 109 -9.773 6.408 10.674 1.00 0.00 O ATOM 1705 CB SER A 109 -6.945 4.784 9.186 1.00 0.00 C ATOM 1706 OG SER A 109 -7.300 3.409 9.148 1.00 0.00 O ATOM 0 H SER A 109 -7.584 3.628 11.553 1.00 0.00 H new ATOM 0 HA SER A 109 -7.196 6.437 10.551 1.00 0.00 H new ATOM 0 HB2 SER A 109 -7.277 5.284 8.276 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.861 4.892 9.231 1.00 0.00 H new ATOM 0 HG SER A 109 -6.890 2.987 8.364 1.00 0.00 H new ATOM 1712 N LYS A 110 -9.664 4.557 9.485 1.00 0.00 N ATOM 1713 CA LYS A 110 -11.142 4.564 9.230 1.00 0.00 C ATOM 1714 C LYS A 110 -11.679 3.130 9.242 1.00 0.00 C ATOM 1715 O LYS A 110 -12.565 2.790 10.004 1.00 0.00 O ATOM 1716 CB LYS A 110 -11.411 5.181 7.854 1.00 0.00 C ATOM 1717 CG LYS A 110 -11.052 6.668 7.869 1.00 0.00 C ATOM 1718 CD LYS A 110 -11.295 7.269 6.482 1.00 0.00 C ATOM 1719 CE LYS A 110 -10.871 8.739 6.481 1.00 0.00 C ATOM 1720 NZ LYS A 110 -11.772 9.517 7.378 1.00 0.00 N ATOM 0 H LYS A 110 -9.158 3.778 9.065 1.00 0.00 H new ATOM 0 HA LYS A 110 -11.638 5.145 10.008 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -10.825 4.665 7.094 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -12.460 5.054 7.588 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -11.653 7.190 8.613 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -10.008 6.798 8.155 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -10.731 6.716 5.731 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -12.349 7.183 6.216 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.838 8.831 6.817 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -10.914 9.140 5.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -11.669 10.532 7.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -12.758 9.230 7.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -11.518 9.332 8.370 1.00 0.00 H new ATOM 1734 N SER A 111 -11.153 2.286 8.399 1.00 0.00 N ATOM 1735 CA SER A 111 -11.627 0.872 8.355 1.00 0.00 C ATOM 1736 C SER A 111 -11.269 0.174 9.670 1.00 0.00 C ATOM 1737 O SER A 111 -11.780 -0.884 9.989 1.00 0.00 O ATOM 1738 CB SER A 111 -10.947 0.150 7.194 1.00 0.00 C ATOM 1739 OG SER A 111 -11.431 -1.185 7.116 1.00 0.00 O ATOM 0 H SER A 111 -10.413 2.514 7.736 1.00 0.00 H new ATOM 0 HA SER A 111 -12.708 0.851 8.216 1.00 0.00 H new ATOM 0 HB2 SER A 111 -11.145 0.675 6.259 1.00 0.00 H new ATOM 0 HB3 SER A 111 -9.866 0.148 7.336 1.00 0.00 H new ATOM 0 HG SER A 111 -11.791 -1.454 7.987 1.00 0.00 H new ATOM 1745 N GLU A 112 -10.393 0.760 10.435 1.00 0.00 N ATOM 1746 CA GLU A 112 -9.998 0.144 11.734 1.00 0.00 C ATOM 1747 C GLU A 112 -11.187 0.195 12.697 1.00 0.00 C ATOM 1748 O GLU A 112 -11.473 -0.751 13.407 1.00 0.00 O ATOM 1749 CB GLU A 112 -8.832 0.938 12.326 1.00 0.00 C ATOM 1750 CG GLU A 112 -7.602 0.806 11.427 1.00 0.00 C ATOM 1751 CD GLU A 112 -7.114 -0.643 11.434 1.00 0.00 C ATOM 1752 OE1 GLU A 112 -7.450 -1.354 12.365 1.00 0.00 O ATOM 1753 OE2 GLU A 112 -6.414 -1.018 10.508 1.00 0.00 O ATOM 0 H GLU A 112 -9.931 1.643 10.217 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.698 -0.892 11.579 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -9.109 1.987 12.426 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -8.603 0.572 13.327 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -7.848 1.113 10.410 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.810 1.469 11.777 1.00 0.00 H new ATOM 1760 N LEU A 113 -11.879 1.300 12.728 1.00 0.00 N ATOM 1761 CA LEU A 113 -13.056 1.423 13.633 1.00 0.00 C ATOM 1762 C LEU A 113 -14.159 0.476 13.158 1.00 0.00 C ATOM 1763 O LEU A 113 -14.777 -0.212 13.950 1.00 0.00 O ATOM 1764 CB LEU A 113 -13.568 2.866 13.602 1.00 0.00 C ATOM 1765 CG LEU A 113 -12.699 3.737 14.515 1.00 0.00 C ATOM 1766 CD1 LEU A 113 -11.287 3.842 13.937 1.00 0.00 C ATOM 1767 CD2 LEU A 113 -13.314 5.129 14.618 1.00 0.00 C ATOM 0 H LEU A 113 -11.679 2.126 12.164 1.00 0.00 H new ATOM 0 HA LEU A 113 -12.768 1.162 14.651 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -13.542 3.250 12.582 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -14.607 2.901 13.929 1.00 0.00 H new ATOM 0 HG LEU A 113 -12.647 3.286 15.506 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -10.672 4.462 14.589 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -10.849 2.847 13.864 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -11.332 4.292 12.945 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -12.698 5.752 15.267 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -13.365 5.578 13.626 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -14.318 5.053 15.034 1.00 0.00 H new ATOM 1779 N GLU A 114 -14.396 0.443 11.861 1.00 0.00 N ATOM 1780 CA GLU A 114 -15.459 -0.444 11.269 1.00 0.00 C ATOM 1781 C GLU A 114 -16.588 -0.689 12.275 1.00 0.00 C ATOM 1782 O GLU A 114 -16.895 -1.814 12.623 1.00 0.00 O ATOM 1783 CB GLU A 114 -14.845 -1.780 10.840 1.00 0.00 C ATOM 1784 CG GLU A 114 -13.998 -2.348 11.976 1.00 0.00 C ATOM 1785 CD GLU A 114 -13.518 -3.752 11.607 1.00 0.00 C ATOM 1786 OE1 GLU A 114 -13.973 -4.266 10.598 1.00 0.00 O ATOM 1787 OE2 GLU A 114 -12.701 -4.288 12.337 1.00 0.00 O ATOM 0 H GLU A 114 -13.888 1.004 11.177 1.00 0.00 H new ATOM 0 HA GLU A 114 -15.878 0.058 10.397 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -15.633 -2.484 10.574 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -14.230 -1.639 9.951 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -13.143 -1.699 12.165 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.582 -2.383 12.896 1.00 0.00 H new ATOM 1794 N HIS A 115 -17.195 0.367 12.755 1.00 0.00 N ATOM 1795 CA HIS A 115 -18.299 0.227 13.754 1.00 0.00 C ATOM 1796 C HIS A 115 -19.501 1.056 13.307 1.00 0.00 C ATOM 1797 O HIS A 115 -19.369 2.161 12.818 1.00 0.00 O ATOM 1798 CB HIS A 115 -17.818 0.712 15.126 1.00 0.00 C ATOM 1799 CG HIS A 115 -16.798 -0.255 15.666 1.00 0.00 C ATOM 1800 ND1 HIS A 115 -15.654 0.166 16.328 1.00 0.00 N ATOM 1801 CD2 HIS A 115 -16.735 -1.628 15.651 1.00 0.00 C ATOM 1802 CE1 HIS A 115 -14.959 -0.933 16.677 1.00 0.00 C ATOM 1803 NE2 HIS A 115 -15.573 -2.053 16.288 1.00 0.00 N ATOM 0 H HIS A 115 -16.971 1.328 12.496 1.00 0.00 H new ATOM 0 HA HIS A 115 -18.590 -0.821 13.826 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -17.383 1.708 15.040 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -18.661 0.791 15.813 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -17.476 -2.279 15.211 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -14.019 -0.911 17.207 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -15.258 -3.013 16.428 1.00 0.00 H new ATOM 1811 N HIS A 116 -20.674 0.514 13.471 1.00 0.00 N ATOM 1812 CA HIS A 116 -21.909 1.235 13.065 1.00 0.00 C ATOM 1813 C HIS A 116 -23.056 0.780 13.971 1.00 0.00 C ATOM 1814 O HIS A 116 -24.123 0.412 13.518 1.00 0.00 O ATOM 1815 CB HIS A 116 -22.231 0.903 11.604 1.00 0.00 C ATOM 1816 CG HIS A 116 -21.156 1.468 10.716 1.00 0.00 C ATOM 1817 ND1 HIS A 116 -19.961 0.804 10.485 1.00 0.00 N ATOM 1818 CD2 HIS A 116 -21.081 2.637 9.997 1.00 0.00 C ATOM 1819 CE1 HIS A 116 -19.224 1.571 9.657 1.00 0.00 C ATOM 1820 NE2 HIS A 116 -19.860 2.698 9.330 1.00 0.00 N ATOM 0 H HIS A 116 -20.831 -0.410 13.874 1.00 0.00 H new ATOM 0 HA HIS A 116 -21.770 2.312 13.160 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -22.298 -0.177 11.471 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -23.201 1.319 11.330 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -21.851 3.393 9.956 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -18.239 1.306 9.302 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -19.524 3.444 8.722 1.00 0.00 H new ATOM 1828 N HIS A 117 -22.835 0.802 15.260 1.00 0.00 N ATOM 1829 CA HIS A 117 -23.897 0.375 16.220 1.00 0.00 C ATOM 1830 C HIS A 117 -25.055 1.378 16.169 1.00 0.00 C ATOM 1831 O HIS A 117 -26.215 1.020 16.258 1.00 0.00 O ATOM 1832 CB HIS A 117 -23.309 0.341 17.634 1.00 0.00 C ATOM 1833 CG HIS A 117 -22.324 -0.790 17.745 1.00 0.00 C ATOM 1834 ND1 HIS A 117 -22.723 -2.101 17.943 1.00 0.00 N ATOM 1835 CD2 HIS A 117 -20.950 -0.822 17.689 1.00 0.00 C ATOM 1836 CE1 HIS A 117 -21.614 -2.861 18.000 1.00 0.00 C ATOM 1837 NE2 HIS A 117 -20.505 -2.130 17.850 1.00 0.00 N ATOM 0 H HIS A 117 -21.960 1.099 15.691 1.00 0.00 H new ATOM 0 HA HIS A 117 -24.263 -0.616 15.953 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -22.817 1.288 17.857 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -24.106 0.216 18.367 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -20.313 0.038 17.542 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -21.619 -3.931 18.149 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -19.540 -2.460 17.853 1.00 0.00 H new ATOM 1845 N HIS A 118 -24.738 2.636 16.029 1.00 0.00 N ATOM 1846 CA HIS A 118 -25.799 3.686 15.971 1.00 0.00 C ATOM 1847 C HIS A 118 -26.753 3.546 17.163 1.00 0.00 C ATOM 1848 O HIS A 118 -26.433 3.912 18.277 1.00 0.00 O ATOM 1849 CB HIS A 118 -26.592 3.546 14.669 1.00 0.00 C ATOM 1850 CG HIS A 118 -25.729 3.958 13.509 1.00 0.00 C ATOM 1851 ND1 HIS A 118 -25.362 5.276 13.293 1.00 0.00 N ATOM 1852 CD2 HIS A 118 -25.152 3.236 12.494 1.00 0.00 C ATOM 1853 CE1 HIS A 118 -24.596 5.307 12.186 1.00 0.00 C ATOM 1854 NE2 HIS A 118 -24.437 4.089 11.660 1.00 0.00 N ATOM 0 H HIS A 118 -23.783 2.986 15.952 1.00 0.00 H new ATOM 0 HA HIS A 118 -25.323 4.666 16.009 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -26.923 2.515 14.542 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -27.488 4.166 14.708 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -25.240 2.168 12.363 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -24.163 6.206 11.774 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -23.906 3.839 10.826 1.00 0.00 H new ATOM 1862 N HIS A 119 -27.931 3.028 16.933 1.00 0.00 N ATOM 1863 CA HIS A 119 -28.912 2.872 18.043 1.00 0.00 C ATOM 1864 C HIS A 119 -29.797 1.651 17.761 1.00 0.00 C ATOM 1865 O HIS A 119 -30.848 1.477 18.345 1.00 0.00 O ATOM 1866 CB HIS A 119 -29.773 4.137 18.138 1.00 0.00 C ATOM 1867 CG HIS A 119 -30.695 4.040 19.321 1.00 0.00 C ATOM 1868 ND1 HIS A 119 -30.222 3.988 20.624 1.00 0.00 N ATOM 1869 CD2 HIS A 119 -32.063 3.991 19.417 1.00 0.00 C ATOM 1870 CE1 HIS A 119 -31.291 3.912 21.440 1.00 0.00 C ATOM 1871 NE2 HIS A 119 -32.437 3.910 20.754 1.00 0.00 N ATOM 0 H HIS A 119 -28.255 2.706 16.021 1.00 0.00 H new ATOM 0 HA HIS A 119 -28.389 2.726 18.988 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -29.135 5.015 18.234 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -30.353 4.263 17.223 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -32.746 4.012 18.581 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -31.229 3.859 22.517 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -33.384 3.860 21.130 1.00 0.00 H new ATOM 1879 N HIS A 120 -29.372 0.801 16.861 1.00 0.00 N ATOM 1880 CA HIS A 120 -30.174 -0.413 16.527 1.00 0.00 C ATOM 1881 C HIS A 120 -29.250 -1.493 15.966 1.00 0.00 C ATOM 1882 O HIS A 120 -29.735 -2.577 15.678 1.00 0.00 O ATOM 1883 CB HIS A 120 -31.235 -0.063 15.476 1.00 0.00 C ATOM 1884 CG HIS A 120 -32.230 0.897 16.066 1.00 0.00 C ATOM 1885 ND1 HIS A 120 -33.198 0.494 16.973 1.00 0.00 N ATOM 1886 CD2 HIS A 120 -32.421 2.244 15.888 1.00 0.00 C ATOM 1887 CE1 HIS A 120 -33.921 1.580 17.304 1.00 0.00 C ATOM 1888 NE2 HIS A 120 -33.488 2.674 16.670 1.00 0.00 N ATOM 1889 OXT HIS A 120 -28.070 -1.219 15.828 1.00 0.00 O ATOM 0 H HIS A 120 -28.500 0.897 16.341 1.00 0.00 H new ATOM 0 HA HIS A 120 -30.664 -0.777 17.430 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -30.762 0.380 14.600 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -31.742 -0.968 15.141 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -31.832 2.875 15.239 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -34.749 1.569 17.997 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -33.860 3.621 16.744 1.00 0.00 H new TER 1897 HIS A 120