USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 836 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 19 SER OG : rot -157:sc= -1.75! USER MOD Set 1.2: A 103 GLN : amide:sc= -3.41 K(o=-5.2,f=-7.8!) USER MOD Set 2.1: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 82 THR OG1 : rot 0:sc= -1.34 USER MOD Set 3.1: A 27 CYS SG : rot -96:sc= 0.234 USER MOD Set 3.2: A 66 CYS SG : rot 103:sc= 1.1 USER MOD Set 4.1: A 23 ASN : amide:sc= -4.11! C(o=-7.5!,f=-7.8!) USER MOD Set 4.2: A 28 THR OG1 : rot -127:sc= -3.4 USER MOD Set 5.1: A 5 ASN : amide:sc= -2.98 K(o=-3.5,f=-1.7!) USER MOD Set 5.2: A 78 SER OG : rot 180:sc= -0.517 USER MOD Single : A 1 LEU N :NH3+ -159:sc=-0.00251 (180deg=-0.592) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 178:sc= -1.21 (180deg=-1.24) USER MOD Single : A 10 LYS NZ :NH3+ -142:sc= -4.06! (180deg=-8.11!) USER MOD Single : A 11 LYS NZ :NH3+ 145:sc= 0.0535 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= -0.9 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 36 GLN : amide:sc= -4.64! C(o=-4.6!,f=-11!) USER MOD Single : A 37 TYR OH : rot -98:sc= 1.28 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 134:sc= 1.09 (180deg=0.669) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.308 X(o=-0.31,f=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot -75:sc= 1.15 USER MOD Single : A 71 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.114) USER MOD Single : A 74 ASN : amide:sc= 0.275 K(o=0.28,f=-1.5) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 176:sc= -0.113 (180deg=-0.182) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -52:sc= 0.0688 USER MOD Single : A 93 SER OG : rot -160:sc= -0.985 USER MOD Single : A 102 ASN : amide:sc= -0.731 K(o=-0.73,f=-0.09) USER MOD Single : A 104 TYR OH : rot -113:sc= 1.33 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -1.053 -10.184 -13.829 1.00 0.00 N ATOM 2 CA LEU A 1 -0.975 -9.162 -12.752 1.00 0.00 C ATOM 3 C LEU A 1 -0.622 -7.791 -13.318 1.00 0.00 C ATOM 4 O LEU A 1 0.523 -7.539 -13.692 1.00 0.00 O ATOM 5 CB LEU A 1 0.086 -9.601 -11.740 1.00 0.00 C ATOM 6 CG LEU A 1 -0.386 -10.633 -10.713 1.00 0.00 C ATOM 7 CD1 LEU A 1 -0.033 -12.040 -11.169 1.00 0.00 C ATOM 8 CD2 LEU A 1 0.225 -10.346 -9.349 1.00 0.00 C ATOM 0 H1 LEU A 1 -1.622 -10.991 -13.501 1.00 0.00 H new ATOM 0 H2 LEU A 1 -1.497 -9.767 -14.672 1.00 0.00 H new ATOM 0 H3 LEU A 1 -0.095 -10.510 -14.068 1.00 0.00 H new ATOM 0 HA LEU A 1 -1.948 -9.078 -12.268 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.936 -10.014 -12.284 1.00 0.00 H new ATOM 0 HB3 LEU A 1 0.446 -8.720 -11.208 1.00 0.00 H new ATOM 0 HG LEU A 1 -1.470 -10.561 -10.627 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.376 -12.760 -10.426 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -0.517 -12.245 -12.124 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.048 -12.125 -11.284 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -0.122 -11.090 -8.631 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.312 -10.390 -9.421 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -0.077 -9.353 -9.017 1.00 0.00 H new ATOM 22 N GLU A 2 -1.612 -6.906 -13.378 1.00 0.00 N ATOM 23 CA GLU A 2 -1.403 -5.559 -13.896 1.00 0.00 C ATOM 24 C GLU A 2 -0.577 -4.730 -12.922 1.00 0.00 C ATOM 25 O GLU A 2 -0.539 -5.018 -11.727 1.00 0.00 O ATOM 26 CB GLU A 2 -2.746 -4.869 -14.150 1.00 0.00 C ATOM 27 CG GLU A 2 -2.786 -4.070 -15.442 1.00 0.00 C ATOM 28 CD GLU A 2 -3.383 -4.855 -16.594 1.00 0.00 C ATOM 29 OE1 GLU A 2 -4.306 -5.660 -16.349 1.00 0.00 O ATOM 30 OE2 GLU A 2 -2.927 -4.665 -17.741 1.00 0.00 O ATOM 0 H GLU A 2 -2.567 -7.098 -13.074 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.860 -5.640 -14.838 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.533 -5.623 -14.174 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.967 -4.204 -13.315 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.368 -3.162 -15.286 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.775 -3.759 -15.704 1.00 0.00 H new ATOM 37 N LYS A 3 0.074 -3.692 -13.436 1.00 0.00 N ATOM 38 CA LYS A 3 0.885 -2.817 -12.600 1.00 0.00 C ATOM 39 C LYS A 3 0.940 -1.408 -13.177 1.00 0.00 C ATOM 40 O LYS A 3 1.245 -1.217 -14.354 1.00 0.00 O ATOM 41 CB LYS A 3 2.308 -3.362 -12.451 1.00 0.00 C ATOM 42 CG LYS A 3 2.374 -4.848 -12.143 1.00 0.00 C ATOM 43 CD LYS A 3 3.815 -5.321 -12.026 1.00 0.00 C ATOM 44 CE LYS A 3 3.981 -6.357 -10.927 1.00 0.00 C ATOM 45 NZ LYS A 3 4.534 -7.637 -11.448 1.00 0.00 N ATOM 0 H LYS A 3 0.056 -3.437 -14.424 1.00 0.00 H new ATOM 0 HA LYS A 3 0.415 -2.780 -11.617 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.858 -3.168 -13.372 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.814 -2.814 -11.656 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.844 -5.053 -11.213 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.867 -5.408 -12.929 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.137 -5.745 -12.977 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.462 -4.468 -11.822 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.642 -5.964 -10.155 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.016 -6.544 -10.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.632 -8.316 -10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.891 -8.026 -12.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.466 -7.464 -11.875 1.00 0.00 H new ATOM 59 N PHE A 4 0.659 -0.427 -12.332 1.00 0.00 N ATOM 60 CA PHE A 4 0.691 0.970 -12.738 1.00 0.00 C ATOM 61 C PHE A 4 1.344 1.807 -11.646 1.00 0.00 C ATOM 62 O PHE A 4 1.603 1.309 -10.552 1.00 0.00 O ATOM 63 CB PHE A 4 -0.722 1.480 -13.045 1.00 0.00 C ATOM 64 CG PHE A 4 -1.583 1.676 -11.829 1.00 0.00 C ATOM 65 CD1 PHE A 4 -2.194 0.596 -11.212 1.00 0.00 C ATOM 66 CD2 PHE A 4 -1.784 2.942 -11.307 1.00 0.00 C ATOM 67 CE1 PHE A 4 -2.988 0.777 -10.096 1.00 0.00 C ATOM 68 CE2 PHE A 4 -2.576 3.126 -10.193 1.00 0.00 C ATOM 69 CZ PHE A 4 -3.178 2.044 -9.586 1.00 0.00 C ATOM 0 H PHE A 4 0.405 -0.574 -11.355 1.00 0.00 H new ATOM 0 HA PHE A 4 1.281 1.059 -13.650 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.646 2.427 -13.579 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.214 0.774 -13.715 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.048 -0.398 -11.608 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.316 3.794 -11.777 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.459 -0.072 -9.624 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.725 4.119 -9.795 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.797 2.189 -8.713 1.00 0.00 H new ATOM 79 N ASN A 5 1.621 3.070 -11.940 1.00 0.00 N ATOM 80 CA ASN A 5 2.260 3.947 -10.966 1.00 0.00 C ATOM 81 C ASN A 5 1.285 4.991 -10.436 1.00 0.00 C ATOM 82 O ASN A 5 0.533 5.601 -11.197 1.00 0.00 O ATOM 83 CB ASN A 5 3.475 4.635 -11.592 1.00 0.00 C ATOM 84 CG ASN A 5 4.758 4.341 -10.840 1.00 0.00 C ATOM 85 OD1 ASN A 5 5.786 4.025 -11.441 1.00 0.00 O ATOM 86 ND2 ASN A 5 4.705 4.443 -9.517 1.00 0.00 N ATOM 0 H ASN A 5 1.416 3.509 -12.838 1.00 0.00 H new ATOM 0 HA ASN A 5 2.587 3.333 -10.127 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.581 4.309 -12.627 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.308 5.712 -11.613 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.537 4.257 -8.957 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.832 4.708 -9.060 1.00 0.00 H new ATOM 93 N VAL A 6 1.312 5.195 -9.123 1.00 0.00 N ATOM 94 CA VAL A 6 0.442 6.168 -8.479 1.00 0.00 C ATOM 95 C VAL A 6 1.261 7.271 -7.831 1.00 0.00 C ATOM 96 O VAL A 6 1.896 7.058 -6.800 1.00 0.00 O ATOM 97 CB VAL A 6 -0.435 5.506 -7.398 1.00 0.00 C ATOM 98 CG1 VAL A 6 -1.523 6.458 -6.925 1.00 0.00 C ATOM 99 CG2 VAL A 6 -1.026 4.209 -7.911 1.00 0.00 C ATOM 0 H VAL A 6 1.930 4.696 -8.483 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.200 6.588 -9.253 1.00 0.00 H new ATOM 0 HB VAL A 6 0.196 5.272 -6.541 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.129 5.968 -6.163 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.065 7.354 -6.505 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.156 6.735 -7.768 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.642 3.757 -7.133 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.640 4.411 -8.789 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.222 3.524 -8.181 1.00 0.00 H new ATOM 109 N ASP A 7 1.244 8.451 -8.432 1.00 0.00 N ATOM 110 CA ASP A 7 1.993 9.575 -7.895 1.00 0.00 C ATOM 111 C ASP A 7 1.055 10.635 -7.335 1.00 0.00 C ATOM 112 O ASP A 7 0.150 11.102 -8.026 1.00 0.00 O ATOM 113 CB ASP A 7 2.876 10.189 -8.983 1.00 0.00 C ATOM 114 CG ASP A 7 3.946 11.100 -8.413 1.00 0.00 C ATOM 115 OD1 ASP A 7 4.250 10.978 -7.209 1.00 0.00 O ATOM 116 OD2 ASP A 7 4.478 11.937 -9.173 1.00 0.00 O ATOM 0 H ASP A 7 0.724 8.654 -9.286 1.00 0.00 H new ATOM 0 HA ASP A 7 2.623 9.206 -7.085 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.349 9.392 -9.556 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.253 10.754 -9.677 1.00 0.00 H new ATOM 121 N LEU A 8 1.285 11.028 -6.086 1.00 0.00 N ATOM 122 CA LEU A 8 0.462 12.053 -5.457 1.00 0.00 C ATOM 123 C LEU A 8 1.279 12.853 -4.453 1.00 0.00 C ATOM 124 O LEU A 8 2.306 12.390 -3.966 1.00 0.00 O ATOM 125 CB LEU A 8 -0.797 11.457 -4.796 1.00 0.00 C ATOM 126 CG LEU A 8 -0.603 10.274 -3.829 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.230 9.169 -4.457 1.00 0.00 C ATOM 128 CD2 LEU A 8 0.007 10.733 -2.509 1.00 0.00 C ATOM 0 H LEU A 8 2.028 10.656 -5.494 1.00 0.00 H new ATOM 0 HA LEU A 8 0.121 12.728 -6.242 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.301 12.256 -4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.472 11.135 -5.589 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.590 9.863 -3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.346 8.351 -3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.269 8.802 -5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.212 9.560 -4.723 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.131 9.875 -1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.978 11.190 -2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.652 11.462 -2.037 1.00 0.00 H new ATOM 140 N MET A 9 0.827 14.060 -4.158 1.00 0.00 N ATOM 141 CA MET A 9 1.533 14.919 -3.220 1.00 0.00 C ATOM 142 C MET A 9 1.399 14.395 -1.798 1.00 0.00 C ATOM 143 O MET A 9 0.321 14.439 -1.206 1.00 0.00 O ATOM 144 CB MET A 9 1.007 16.348 -3.313 1.00 0.00 C ATOM 145 CG MET A 9 1.824 17.226 -4.247 1.00 0.00 C ATOM 146 SD MET A 9 2.755 18.501 -3.373 1.00 0.00 S ATOM 147 CE MET A 9 4.377 17.741 -3.306 1.00 0.00 C ATOM 0 H MET A 9 -0.021 14.467 -4.552 1.00 0.00 H new ATOM 0 HA MET A 9 2.591 14.917 -3.484 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.027 16.326 -3.657 1.00 0.00 H new ATOM 0 HB3 MET A 9 1.003 16.792 -2.318 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.515 16.602 -4.813 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.158 17.699 -4.969 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.079 18.422 -2.825 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.321 16.814 -2.735 1.00 0.00 H new ATOM 0 HE3 MET A 9 4.719 17.523 -4.318 1.00 0.00 H new ATOM 157 N LYS A 10 2.504 13.895 -1.258 1.00 0.00 N ATOM 158 CA LYS A 10 2.513 13.357 0.092 1.00 0.00 C ATOM 159 C LYS A 10 2.970 14.399 1.099 1.00 0.00 C ATOM 160 O LYS A 10 3.760 15.289 0.782 1.00 0.00 O ATOM 161 CB LYS A 10 3.423 12.132 0.177 1.00 0.00 C ATOM 162 CG LYS A 10 2.689 10.870 0.591 1.00 0.00 C ATOM 163 CD LYS A 10 2.442 10.852 2.093 1.00 0.00 C ATOM 164 CE LYS A 10 2.786 9.507 2.715 1.00 0.00 C ATOM 165 NZ LYS A 10 3.716 9.649 3.872 1.00 0.00 N ATOM 0 H LYS A 10 3.404 13.852 -1.736 1.00 0.00 H new ATOM 0 HA LYS A 10 1.491 13.065 0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.894 11.969 -0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.223 12.330 0.891 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.738 10.807 0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.272 9.995 0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.037 11.633 2.567 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.396 11.085 2.290 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.871 9.015 3.044 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.241 8.864 1.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.398 8.864 3.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.226 10.552 3.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.173 9.630 4.759 1.00 0.00 H new ATOM 179 N LYS A 11 2.475 14.266 2.319 1.00 0.00 N ATOM 180 CA LYS A 11 2.835 15.180 3.394 1.00 0.00 C ATOM 181 C LYS A 11 3.061 14.414 4.693 1.00 0.00 C ATOM 182 O LYS A 11 2.277 14.518 5.636 1.00 0.00 O ATOM 183 CB LYS A 11 1.747 16.235 3.588 1.00 0.00 C ATOM 184 CG LYS A 11 1.226 16.819 2.284 1.00 0.00 C ATOM 185 CD LYS A 11 2.226 17.781 1.664 1.00 0.00 C ATOM 186 CE LYS A 11 1.808 18.193 0.261 1.00 0.00 C ATOM 187 NZ LYS A 11 2.132 19.618 -0.019 1.00 0.00 N ATOM 0 H LYS A 11 1.821 13.532 2.591 1.00 0.00 H new ATOM 0 HA LYS A 11 3.762 15.682 3.119 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.916 15.791 4.135 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.141 17.042 4.206 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.013 16.012 1.583 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.286 17.339 2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.318 18.667 2.292 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.209 17.312 1.629 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.309 17.557 -0.469 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.736 18.034 0.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.404 19.722 -1.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.298 20.208 0.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.920 19.920 0.588 1.00 0.00 H new ATOM 201 N ALA A 12 4.140 13.639 4.729 1.00 0.00 N ATOM 202 CA ALA A 12 4.478 12.847 5.905 1.00 0.00 C ATOM 203 C ALA A 12 3.331 11.916 6.294 1.00 0.00 C ATOM 204 O ALA A 12 3.235 11.483 7.443 1.00 0.00 O ATOM 205 CB ALA A 12 4.836 13.759 7.069 1.00 0.00 C ATOM 0 H ALA A 12 4.797 13.543 3.955 1.00 0.00 H new ATOM 0 HA ALA A 12 5.342 12.230 5.659 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.086 13.155 7.941 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.692 14.376 6.797 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.986 14.400 7.304 1.00 0.00 H new ATOM 211 N GLY A 13 2.461 11.615 5.333 1.00 0.00 N ATOM 212 CA GLY A 13 1.331 10.741 5.600 1.00 0.00 C ATOM 213 C GLY A 13 0.111 11.503 6.077 1.00 0.00 C ATOM 214 O GLY A 13 0.124 12.090 7.159 1.00 0.00 O ATOM 0 H GLY A 13 2.518 11.960 4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.080 10.189 4.694 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.614 10.006 6.353 1.00 0.00 H new ATOM 218 N LYS A 14 -0.945 11.501 5.268 1.00 0.00 N ATOM 219 CA LYS A 14 -2.172 12.205 5.621 1.00 0.00 C ATOM 220 C LYS A 14 -3.358 11.714 4.783 1.00 0.00 C ATOM 221 O LYS A 14 -4.012 10.730 5.127 1.00 0.00 O ATOM 222 CB LYS A 14 -1.988 13.715 5.436 1.00 0.00 C ATOM 223 CG LYS A 14 -1.112 14.084 4.250 1.00 0.00 C ATOM 224 CD LYS A 14 -1.499 15.438 3.678 1.00 0.00 C ATOM 225 CE LYS A 14 -1.344 16.548 4.706 1.00 0.00 C ATOM 226 NZ LYS A 14 -2.578 17.371 4.829 1.00 0.00 N ATOM 0 H LYS A 14 -0.975 11.022 4.368 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.388 11.995 6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.967 14.179 5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.551 14.132 6.343 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.067 14.103 4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.202 13.321 3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.878 15.657 2.809 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.532 15.405 3.331 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.100 16.113 5.675 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.508 17.188 4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.429 18.116 5.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.797 17.808 3.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.371 16.766 5.123 1.00 0.00 H new ATOM 240 N GLU A 15 -3.621 12.415 3.683 1.00 0.00 N ATOM 241 CA GLU A 15 -4.710 12.088 2.779 1.00 0.00 C ATOM 242 C GLU A 15 -4.454 10.785 2.023 1.00 0.00 C ATOM 243 O GLU A 15 -5.312 10.328 1.271 1.00 0.00 O ATOM 244 CB GLU A 15 -4.934 13.241 1.803 1.00 0.00 C ATOM 245 CG GLU A 15 -5.922 14.281 2.306 1.00 0.00 C ATOM 246 CD GLU A 15 -5.832 15.587 1.542 1.00 0.00 C ATOM 247 OE1 GLU A 15 -4.700 16.040 1.272 1.00 0.00 O ATOM 248 OE2 GLU A 15 -6.894 16.158 1.215 1.00 0.00 O ATOM 0 H GLU A 15 -3.079 13.230 3.396 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.610 11.939 3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.979 13.727 1.602 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.293 12.839 0.855 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.934 13.885 2.224 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.739 14.470 3.364 1.00 0.00 H new ATOM 255 N LEU A 16 -3.268 10.191 2.197 1.00 0.00 N ATOM 256 CA LEU A 16 -2.931 8.950 1.498 1.00 0.00 C ATOM 257 C LEU A 16 -4.101 7.971 1.571 1.00 0.00 C ATOM 258 O LEU A 16 -4.439 7.316 0.584 1.00 0.00 O ATOM 259 CB LEU A 16 -1.684 8.310 2.127 1.00 0.00 C ATOM 260 CG LEU A 16 -0.359 8.526 1.382 1.00 0.00 C ATOM 261 CD1 LEU A 16 0.633 7.435 1.750 1.00 0.00 C ATOM 262 CD2 LEU A 16 -0.570 8.559 -0.126 1.00 0.00 C ATOM 0 H LEU A 16 -2.534 10.546 2.809 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.725 9.184 0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.574 8.698 3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.857 7.237 2.214 1.00 0.00 H new ATOM 0 HG LEU A 16 0.044 9.492 1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.569 7.599 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.819 7.460 2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.223 6.463 1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.387 8.713 -0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.001 7.613 -0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.247 9.374 -0.381 1.00 0.00 H new ATOM 274 N GLY A 17 -4.732 7.912 2.737 1.00 0.00 N ATOM 275 CA GLY A 17 -5.887 7.051 2.939 1.00 0.00 C ATOM 276 C GLY A 17 -5.839 5.742 2.169 1.00 0.00 C ATOM 277 O GLY A 17 -6.782 5.403 1.454 1.00 0.00 O ATOM 0 H GLY A 17 -4.461 8.453 3.559 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.978 6.829 4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.786 7.596 2.649 1.00 0.00 H new ATOM 281 N LEU A 18 -4.753 4.996 2.324 1.00 0.00 N ATOM 282 CA LEU A 18 -4.612 3.712 1.651 1.00 0.00 C ATOM 283 C LEU A 18 -4.037 2.675 2.609 1.00 0.00 C ATOM 284 O LEU A 18 -2.821 2.553 2.757 1.00 0.00 O ATOM 285 CB LEU A 18 -3.733 3.843 0.403 1.00 0.00 C ATOM 286 CG LEU A 18 -2.284 4.269 0.661 1.00 0.00 C ATOM 287 CD1 LEU A 18 -1.312 3.212 0.153 1.00 0.00 C ATOM 288 CD2 LEU A 18 -1.998 5.610 0.002 1.00 0.00 C ATOM 0 H LEU A 18 -3.959 5.257 2.908 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.600 3.380 1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.725 2.885 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.192 4.567 -0.270 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.146 4.373 1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.289 3.535 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.498 2.269 0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.452 3.074 -0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.964 5.897 0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.157 5.528 -1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.668 6.367 0.411 1.00 0.00 H new ATOM 300 N SER A 19 -4.926 1.939 3.270 1.00 0.00 N ATOM 301 CA SER A 19 -4.518 0.919 4.230 1.00 0.00 C ATOM 302 C SER A 19 -3.740 -0.197 3.545 1.00 0.00 C ATOM 303 O SER A 19 -4.240 -0.832 2.617 1.00 0.00 O ATOM 304 CB SER A 19 -5.742 0.344 4.943 1.00 0.00 C ATOM 305 OG SER A 19 -5.445 -0.904 5.547 1.00 0.00 O ATOM 0 H SER A 19 -5.936 2.031 3.158 1.00 0.00 H new ATOM 0 HA SER A 19 -3.865 1.389 4.965 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.086 1.046 5.703 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.557 0.221 4.230 1.00 0.00 H new ATOM 0 HG SER A 19 -6.274 -1.412 5.673 1.00 0.00 H new ATOM 311 N LEU A 20 -2.514 -0.424 4.008 1.00 0.00 N ATOM 312 CA LEU A 20 -1.655 -1.457 3.443 1.00 0.00 C ATOM 313 C LEU A 20 -1.646 -2.712 4.312 1.00 0.00 C ATOM 314 O LEU A 20 -2.140 -2.706 5.439 1.00 0.00 O ATOM 315 CB LEU A 20 -0.224 -0.929 3.290 1.00 0.00 C ATOM 316 CG LEU A 20 0.010 0.081 2.156 1.00 0.00 C ATOM 317 CD1 LEU A 20 -1.175 0.139 1.201 1.00 0.00 C ATOM 318 CD2 LEU A 20 0.301 1.460 2.730 1.00 0.00 C ATOM 0 H LEU A 20 -2.093 0.097 4.777 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.055 -1.721 2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.071 -0.463 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.440 -1.779 3.134 1.00 0.00 H new ATOM 0 HG LEU A 20 0.875 -0.255 1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.972 0.864 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.333 -0.844 0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.069 0.439 1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.465 2.166 1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.546 1.790 3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.193 1.413 3.355 1.00 0.00 H new ATOM 330 N SER A 21 -1.072 -3.784 3.773 1.00 0.00 N ATOM 331 CA SER A 21 -0.981 -5.053 4.485 1.00 0.00 C ATOM 332 C SER A 21 0.325 -5.766 4.136 1.00 0.00 C ATOM 333 O SER A 21 1.018 -5.377 3.198 1.00 0.00 O ATOM 334 CB SER A 21 -2.177 -5.944 4.142 1.00 0.00 C ATOM 335 OG SER A 21 -2.885 -6.319 5.311 1.00 0.00 O ATOM 0 H SER A 21 -0.661 -3.798 2.840 1.00 0.00 H new ATOM 0 HA SER A 21 -0.993 -4.850 5.556 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.845 -5.415 3.462 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.832 -6.836 3.620 1.00 0.00 H new ATOM 0 HG SER A 21 -3.645 -6.886 5.065 1.00 0.00 H new ATOM 341 N PRO A 22 0.682 -6.818 4.890 1.00 0.00 N ATOM 342 CA PRO A 22 1.917 -7.575 4.653 1.00 0.00 C ATOM 343 C PRO A 22 1.824 -8.480 3.427 1.00 0.00 C ATOM 344 O PRO A 22 0.960 -9.354 3.353 1.00 0.00 O ATOM 345 CB PRO A 22 2.062 -8.410 5.924 1.00 0.00 C ATOM 346 CG PRO A 22 0.668 -8.600 6.411 1.00 0.00 C ATOM 347 CD PRO A 22 -0.081 -7.349 6.036 1.00 0.00 C ATOM 0 HA PRO A 22 2.765 -6.920 4.453 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.543 -9.366 5.717 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.675 -7.899 6.666 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.212 -9.478 5.954 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.650 -8.756 7.490 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.114 -7.566 5.764 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.112 -6.638 6.861 1.00 0.00 H new ATOM 355 N ASN A 23 2.725 -8.270 2.470 1.00 0.00 N ATOM 356 CA ASN A 23 2.749 -9.073 1.252 1.00 0.00 C ATOM 357 C ASN A 23 4.168 -9.528 0.924 1.00 0.00 C ATOM 358 O ASN A 23 5.143 -8.975 1.435 1.00 0.00 O ATOM 359 CB ASN A 23 2.165 -8.287 0.073 1.00 0.00 C ATOM 360 CG ASN A 23 1.006 -9.010 -0.583 1.00 0.00 C ATOM 361 OD1 ASN A 23 0.925 -9.094 -1.808 1.00 0.00 O ATOM 362 ND2 ASN A 23 0.101 -9.537 0.233 1.00 0.00 N ATOM 0 H ASN A 23 3.447 -7.551 2.515 1.00 0.00 H new ATOM 0 HA ASN A 23 2.134 -9.956 1.425 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.830 -7.310 0.421 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.946 -8.112 -0.667 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.702 -10.036 -0.150 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.209 -9.443 1.243 1.00 0.00 H new ATOM 369 N GLU A 24 4.275 -10.540 0.069 1.00 0.00 N ATOM 370 CA GLU A 24 5.570 -11.077 -0.332 1.00 0.00 C ATOM 371 C GLU A 24 6.224 -10.199 -1.393 1.00 0.00 C ATOM 372 O GLU A 24 7.447 -10.083 -1.451 1.00 0.00 O ATOM 373 CB GLU A 24 5.402 -12.497 -0.874 1.00 0.00 C ATOM 374 CG GLU A 24 4.572 -12.566 -2.146 1.00 0.00 C ATOM 375 CD GLU A 24 4.006 -13.950 -2.397 1.00 0.00 C ATOM 376 OE1 GLU A 24 4.794 -14.919 -2.420 1.00 0.00 O ATOM 377 OE2 GLU A 24 2.775 -14.065 -2.572 1.00 0.00 O ATOM 0 H GLU A 24 3.476 -11.006 -0.361 1.00 0.00 H new ATOM 0 HA GLU A 24 6.215 -11.095 0.547 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.387 -12.922 -1.069 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.933 -13.116 -0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.754 -11.849 -2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.189 -12.270 -2.995 1.00 0.00 H new ATOM 384 N ILE A 25 5.397 -9.593 -2.235 1.00 0.00 N ATOM 385 CA ILE A 25 5.885 -8.734 -3.308 1.00 0.00 C ATOM 386 C ILE A 25 5.786 -7.255 -2.942 1.00 0.00 C ATOM 387 O ILE A 25 6.273 -6.393 -3.675 1.00 0.00 O ATOM 388 CB ILE A 25 5.104 -8.979 -4.612 1.00 0.00 C ATOM 389 CG1 ILE A 25 3.604 -8.748 -4.382 1.00 0.00 C ATOM 390 CG2 ILE A 25 5.371 -10.389 -5.119 1.00 0.00 C ATOM 391 CD1 ILE A 25 2.718 -9.337 -5.459 1.00 0.00 C ATOM 0 H ILE A 25 4.382 -9.680 -2.196 1.00 0.00 H new ATOM 0 HA ILE A 25 6.934 -8.989 -3.457 1.00 0.00 H new ATOM 0 HB ILE A 25 5.441 -8.273 -5.371 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.324 -9.178 -3.420 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.417 -7.676 -4.318 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.815 -10.555 -6.042 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.437 -10.511 -5.311 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.052 -11.112 -4.368 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.674 -9.131 -5.224 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.968 -8.890 -6.421 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.873 -10.415 -5.509 1.00 0.00 H new ATOM 403 N GLY A 26 5.157 -6.964 -1.809 1.00 0.00 N ATOM 404 CA GLY A 26 5.014 -5.588 -1.376 1.00 0.00 C ATOM 405 C GLY A 26 4.037 -5.447 -0.230 1.00 0.00 C ATOM 406 O GLY A 26 4.197 -6.083 0.811 1.00 0.00 O ATOM 0 H GLY A 26 4.744 -7.656 -1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.987 -5.202 -1.071 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.678 -4.978 -2.215 1.00 0.00 H new ATOM 410 N CYS A 27 3.020 -4.617 -0.420 1.00 0.00 N ATOM 411 CA CYS A 27 2.015 -4.407 0.613 1.00 0.00 C ATOM 412 C CYS A 27 0.619 -4.299 0.010 1.00 0.00 C ATOM 413 O CYS A 27 0.266 -3.284 -0.591 1.00 0.00 O ATOM 414 CB CYS A 27 2.326 -3.144 1.426 1.00 0.00 C ATOM 415 SG CYS A 27 3.173 -1.840 0.500 1.00 0.00 S ATOM 0 H CYS A 27 2.870 -4.081 -1.275 1.00 0.00 H new ATOM 0 HA CYS A 27 2.041 -5.272 1.276 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.392 -2.743 1.821 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.941 -3.421 2.282 1.00 0.00 H new ATOM 0 HG CYS A 27 4.454 -1.926 0.702 1.00 0.00 H new ATOM 421 N THR A 28 -0.176 -5.350 0.186 1.00 0.00 N ATOM 422 CA THR A 28 -1.538 -5.371 -0.329 1.00 0.00 C ATOM 423 C THR A 28 -2.400 -4.342 0.395 1.00 0.00 C ATOM 424 O THR A 28 -2.394 -4.272 1.624 1.00 0.00 O ATOM 425 CB THR A 28 -2.150 -6.765 -0.166 1.00 0.00 C ATOM 426 OG1 THR A 28 -1.419 -7.725 -0.907 1.00 0.00 O ATOM 427 CG2 THR A 28 -3.596 -6.842 -0.613 1.00 0.00 C ATOM 0 H THR A 28 0.101 -6.197 0.681 1.00 0.00 H new ATOM 0 HA THR A 28 -1.504 -5.120 -1.389 1.00 0.00 H new ATOM 0 HB THR A 28 -2.106 -6.975 0.903 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.030 -8.225 -1.488 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.967 -7.857 -0.470 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.197 -6.150 -0.023 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.666 -6.575 -1.668 1.00 0.00 H new ATOM 435 N ILE A 29 -3.141 -3.552 -0.369 1.00 0.00 N ATOM 436 CA ILE A 29 -4.006 -2.537 0.210 1.00 0.00 C ATOM 437 C ILE A 29 -5.166 -3.184 0.956 1.00 0.00 C ATOM 438 O ILE A 29 -6.109 -3.686 0.345 1.00 0.00 O ATOM 439 CB ILE A 29 -4.563 -1.589 -0.870 1.00 0.00 C ATOM 440 CG1 ILE A 29 -3.429 -1.050 -1.743 1.00 0.00 C ATOM 441 CG2 ILE A 29 -5.332 -0.447 -0.226 1.00 0.00 C ATOM 442 CD1 ILE A 29 -3.907 -0.182 -2.886 1.00 0.00 C ATOM 0 H ILE A 29 -3.160 -3.595 -1.388 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.402 -1.956 0.907 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.248 -2.150 -1.505 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.745 -0.473 -1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.862 -1.889 -2.147 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.719 0.214 -1.002 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.162 -0.849 0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.667 0.114 0.431 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.050 0.165 -3.463 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.568 -0.761 -3.531 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.449 0.677 -2.489 1.00 0.00 H new ATOM 454 N ALA A 30 -5.088 -3.170 2.281 1.00 0.00 N ATOM 455 CA ALA A 30 -6.130 -3.756 3.113 1.00 0.00 C ATOM 456 C ALA A 30 -7.425 -2.957 3.020 1.00 0.00 C ATOM 457 O ALA A 30 -8.506 -3.484 3.277 1.00 0.00 O ATOM 458 CB ALA A 30 -5.662 -3.845 4.557 1.00 0.00 C ATOM 0 H ALA A 30 -4.313 -2.759 2.802 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.331 -4.762 2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.450 -4.285 5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.769 -4.468 4.612 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.431 -2.846 4.927 1.00 0.00 H new ATOM 464 N ASP A 31 -7.312 -1.682 2.651 1.00 0.00 N ATOM 465 CA ASP A 31 -8.487 -0.826 2.530 1.00 0.00 C ATOM 466 C ASP A 31 -8.127 0.515 1.907 1.00 0.00 C ATOM 467 O ASP A 31 -6.955 0.810 1.670 1.00 0.00 O ATOM 468 CB ASP A 31 -9.126 -0.600 3.899 1.00 0.00 C ATOM 469 CG ASP A 31 -10.325 -1.498 4.141 1.00 0.00 C ATOM 470 OD1 ASP A 31 -10.672 -2.287 3.237 1.00 0.00 O ATOM 471 OD2 ASP A 31 -10.919 -1.410 5.236 1.00 0.00 O ATOM 0 H ASP A 31 -6.427 -1.224 2.433 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.200 -1.332 1.879 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.382 -0.776 4.676 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.435 0.442 3.984 1.00 0.00 H new ATOM 476 N LEU A 32 -9.145 1.324 1.646 1.00 0.00 N ATOM 477 CA LEU A 32 -8.947 2.629 1.055 1.00 0.00 C ATOM 478 C LEU A 32 -10.050 3.599 1.459 1.00 0.00 C ATOM 479 O LEU A 32 -11.237 3.315 1.292 1.00 0.00 O ATOM 480 CB LEU A 32 -8.888 2.507 -0.464 1.00 0.00 C ATOM 481 CG LEU A 32 -7.660 3.154 -1.087 1.00 0.00 C ATOM 482 CD1 LEU A 32 -6.863 2.140 -1.896 1.00 0.00 C ATOM 483 CD2 LEU A 32 -8.056 4.343 -1.949 1.00 0.00 C ATOM 0 H LEU A 32 -10.120 1.092 1.838 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.002 3.026 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.907 1.451 -0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.782 2.962 -0.890 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.023 3.517 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.990 2.627 -2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.539 1.329 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.489 1.737 -2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.162 4.790 -2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.720 4.009 -2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.570 5.083 -1.335 1.00 0.00 H new ATOM 495 N ILE A 33 -9.646 4.754 1.976 1.00 0.00 N ATOM 496 CA ILE A 33 -10.594 5.779 2.386 1.00 0.00 C ATOM 497 C ILE A 33 -10.676 6.871 1.331 1.00 0.00 C ATOM 498 O ILE A 33 -9.809 7.740 1.252 1.00 0.00 O ATOM 499 CB ILE A 33 -10.218 6.411 3.743 1.00 0.00 C ATOM 500 CG1 ILE A 33 -8.758 6.874 3.747 1.00 0.00 C ATOM 501 CG2 ILE A 33 -10.483 5.442 4.873 1.00 0.00 C ATOM 502 CD1 ILE A 33 -8.265 7.314 5.109 1.00 0.00 C ATOM 0 H ILE A 33 -8.667 5.002 2.121 1.00 0.00 H new ATOM 0 HA ILE A 33 -11.563 5.292 2.497 1.00 0.00 H new ATOM 0 HB ILE A 33 -10.845 7.289 3.895 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.127 6.062 3.387 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.646 7.700 3.045 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.212 5.906 5.821 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.541 5.180 4.887 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.888 4.541 4.727 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.224 7.628 5.035 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.871 8.148 5.464 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.344 6.483 5.810 1.00 0.00 H new ATOM 514 N GLN A 34 -11.715 6.814 0.513 1.00 0.00 N ATOM 515 CA GLN A 34 -11.902 7.793 -0.547 1.00 0.00 C ATOM 516 C GLN A 34 -12.164 9.177 0.034 1.00 0.00 C ATOM 517 O GLN A 34 -12.287 9.336 1.249 1.00 0.00 O ATOM 518 CB GLN A 34 -13.043 7.362 -1.465 1.00 0.00 C ATOM 519 CG GLN A 34 -12.791 6.018 -2.132 1.00 0.00 C ATOM 520 CD GLN A 34 -13.937 5.585 -3.026 1.00 0.00 C ATOM 521 OE1 GLN A 34 -15.072 6.032 -2.861 1.00 0.00 O ATOM 522 NE2 GLN A 34 -13.644 4.708 -3.979 1.00 0.00 N ATOM 0 H GLN A 34 -12.442 6.100 0.562 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.986 7.847 -1.136 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.966 7.308 -0.888 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -13.191 8.121 -2.233 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.877 6.076 -2.722 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.628 5.261 -1.365 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.689 4.364 -4.079 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.374 4.378 -4.611 1.00 0.00 H new ATOM 531 N GLY A 35 -12.226 10.181 -0.833 1.00 0.00 N ATOM 532 CA GLY A 35 -12.446 11.538 -0.373 1.00 0.00 C ATOM 533 C GLY A 35 -11.252 12.066 0.403 1.00 0.00 C ATOM 534 O GLY A 35 -11.366 13.030 1.159 1.00 0.00 O ATOM 0 H GLY A 35 -12.128 10.080 -1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.640 12.186 -1.228 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.334 11.569 0.259 1.00 0.00 H new ATOM 538 N GLN A 36 -10.105 11.418 0.211 1.00 0.00 N ATOM 539 CA GLN A 36 -8.872 11.800 0.888 1.00 0.00 C ATOM 540 C GLN A 36 -7.876 12.378 -0.113 1.00 0.00 C ATOM 541 O GLN A 36 -7.283 13.427 0.125 1.00 0.00 O ATOM 542 CB GLN A 36 -8.285 10.574 1.613 1.00 0.00 C ATOM 543 CG GLN A 36 -8.123 10.709 3.132 1.00 0.00 C ATOM 544 CD GLN A 36 -8.454 12.087 3.681 1.00 0.00 C ATOM 545 OE1 GLN A 36 -7.561 12.868 4.009 1.00 0.00 O ATOM 546 NE2 GLN A 36 -9.744 12.385 3.796 1.00 0.00 N ATOM 0 H GLN A 36 -10.006 10.618 -0.415 1.00 0.00 H new ATOM 0 HA GLN A 36 -9.086 12.572 1.627 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.925 9.715 1.410 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.309 10.353 1.181 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.763 9.974 3.620 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.095 10.463 3.398 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.451 11.707 3.512 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.027 13.291 4.168 1.00 0.00 H new ATOM 555 N TYR A 37 -7.714 11.703 -1.242 1.00 0.00 N ATOM 556 CA TYR A 37 -6.806 12.170 -2.281 1.00 0.00 C ATOM 557 C TYR A 37 -7.391 11.888 -3.665 1.00 0.00 C ATOM 558 O TYR A 37 -7.986 10.835 -3.893 1.00 0.00 O ATOM 559 CB TYR A 37 -5.436 11.503 -2.136 1.00 0.00 C ATOM 560 CG TYR A 37 -4.405 12.333 -1.389 1.00 0.00 C ATOM 561 CD1 TYR A 37 -4.371 13.721 -1.492 1.00 0.00 C ATOM 562 CD2 TYR A 37 -3.445 11.717 -0.594 1.00 0.00 C ATOM 563 CE1 TYR A 37 -3.415 14.463 -0.824 1.00 0.00 C ATOM 564 CE2 TYR A 37 -2.484 12.452 0.072 1.00 0.00 C ATOM 565 CZ TYR A 37 -2.472 13.825 -0.047 1.00 0.00 C ATOM 566 OH TYR A 37 -1.517 14.561 0.615 1.00 0.00 O ATOM 0 H TYR A 37 -8.198 10.832 -1.462 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.679 13.247 -2.170 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.562 10.552 -1.618 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.050 11.276 -3.130 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.104 14.226 -2.104 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.451 10.642 -0.495 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.407 15.539 -0.911 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.746 11.954 0.683 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.686 14.560 0.096 1.00 0.00 H new ATOM 576 N PRO A 38 -7.242 12.838 -4.605 1.00 0.00 N ATOM 577 CA PRO A 38 -7.773 12.695 -5.965 1.00 0.00 C ATOM 578 C PRO A 38 -7.055 11.621 -6.778 1.00 0.00 C ATOM 579 O PRO A 38 -7.694 10.767 -7.392 1.00 0.00 O ATOM 580 CB PRO A 38 -7.543 14.074 -6.586 1.00 0.00 C ATOM 581 CG PRO A 38 -6.420 14.665 -5.808 1.00 0.00 C ATOM 582 CD PRO A 38 -6.559 14.131 -4.412 1.00 0.00 C ATOM 0 HA PRO A 38 -8.817 12.381 -5.953 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.291 13.994 -7.643 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.438 14.692 -6.518 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.458 14.387 -6.238 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.470 15.754 -5.816 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.589 14.005 -3.932 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.142 14.803 -3.781 1.00 0.00 H new ATOM 590 N GLU A 39 -5.727 11.669 -6.785 1.00 0.00 N ATOM 591 CA GLU A 39 -4.935 10.698 -7.532 1.00 0.00 C ATOM 592 C GLU A 39 -5.185 9.286 -7.021 1.00 0.00 C ATOM 593 O GLU A 39 -5.484 8.378 -7.796 1.00 0.00 O ATOM 594 CB GLU A 39 -3.446 11.035 -7.431 1.00 0.00 C ATOM 595 CG GLU A 39 -3.007 12.146 -8.369 1.00 0.00 C ATOM 596 CD GLU A 39 -2.774 11.655 -9.785 1.00 0.00 C ATOM 597 OE1 GLU A 39 -2.267 10.524 -9.945 1.00 0.00 O ATOM 598 OE2 GLU A 39 -3.097 12.401 -10.733 1.00 0.00 O ATOM 0 H GLU A 39 -5.178 12.367 -6.284 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.239 10.746 -8.578 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.217 11.325 -6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.864 10.139 -7.646 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.766 12.928 -8.380 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.090 12.596 -7.989 1.00 0.00 H new ATOM 605 N ILE A 40 -5.062 9.107 -5.711 1.00 0.00 N ATOM 606 CA ILE A 40 -5.274 7.805 -5.092 1.00 0.00 C ATOM 607 C ILE A 40 -6.638 7.235 -5.468 1.00 0.00 C ATOM 608 O ILE A 40 -6.742 6.095 -5.922 1.00 0.00 O ATOM 609 CB ILE A 40 -5.168 7.891 -3.560 1.00 0.00 C ATOM 610 CG1 ILE A 40 -3.895 8.647 -3.161 1.00 0.00 C ATOM 611 CG2 ILE A 40 -5.190 6.494 -2.952 1.00 0.00 C ATOM 612 CD1 ILE A 40 -3.533 8.507 -1.701 1.00 0.00 C ATOM 0 H ILE A 40 -4.816 9.849 -5.056 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.493 7.143 -5.465 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.025 8.442 -3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.064 8.286 -3.768 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.024 9.704 -3.394 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.114 6.568 -1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.123 5.996 -3.218 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.349 5.917 -3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.622 9.069 -1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.345 8.895 -1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.371 7.455 -1.466 1.00 0.00 H new ATOM 624 N ASP A 41 -7.679 8.040 -5.288 1.00 0.00 N ATOM 625 CA ASP A 41 -9.036 7.619 -5.618 1.00 0.00 C ATOM 626 C ASP A 41 -9.146 7.280 -7.101 1.00 0.00 C ATOM 627 O ASP A 41 -9.940 6.428 -7.498 1.00 0.00 O ATOM 628 CB ASP A 41 -10.035 8.720 -5.258 1.00 0.00 C ATOM 629 CG ASP A 41 -10.606 8.550 -3.864 1.00 0.00 C ATOM 630 OD1 ASP A 41 -10.267 7.548 -3.201 1.00 0.00 O ATOM 631 OD2 ASP A 41 -11.395 9.420 -3.436 1.00 0.00 O ATOM 0 H ASP A 41 -7.610 8.987 -4.916 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.269 6.726 -5.038 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.544 9.690 -5.330 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.849 8.720 -5.983 1.00 0.00 H new ATOM 636 N SER A 42 -8.337 7.954 -7.913 1.00 0.00 N ATOM 637 CA SER A 42 -8.331 7.731 -9.354 1.00 0.00 C ATOM 638 C SER A 42 -7.219 6.770 -9.760 1.00 0.00 C ATOM 639 O SER A 42 -7.016 6.511 -10.946 1.00 0.00 O ATOM 640 CB SER A 42 -8.144 9.057 -10.088 1.00 0.00 C ATOM 641 OG SER A 42 -9.366 9.769 -10.183 1.00 0.00 O ATOM 0 H SER A 42 -7.675 8.662 -7.595 1.00 0.00 H new ATOM 0 HA SER A 42 -9.289 7.289 -9.627 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.406 9.665 -9.564 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.751 8.870 -11.087 1.00 0.00 H new ATOM 0 HG SER A 42 -9.216 10.614 -10.656 1.00 0.00 H new ATOM 647 N LYS A 43 -6.487 6.260 -8.777 1.00 0.00 N ATOM 648 CA LYS A 43 -5.384 5.351 -9.045 1.00 0.00 C ATOM 649 C LYS A 43 -5.487 4.078 -8.215 1.00 0.00 C ATOM 650 O LYS A 43 -5.803 3.008 -8.736 1.00 0.00 O ATOM 651 CB LYS A 43 -4.059 6.056 -8.757 1.00 0.00 C ATOM 652 CG LYS A 43 -3.660 7.046 -9.838 1.00 0.00 C ATOM 653 CD LYS A 43 -2.391 6.622 -10.558 1.00 0.00 C ATOM 654 CE LYS A 43 -2.700 6.051 -11.933 1.00 0.00 C ATOM 655 NZ LYS A 43 -1.492 6.009 -12.806 1.00 0.00 N ATOM 0 H LYS A 43 -6.639 6.461 -7.789 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.431 5.064 -10.096 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.133 6.579 -7.804 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.273 5.308 -8.650 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.471 7.142 -10.559 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.512 8.030 -9.392 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.724 7.478 -10.659 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.864 5.876 -9.962 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.104 5.044 -11.825 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.472 6.655 -12.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.436 5.083 -13.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.556 6.759 -13.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.640 6.156 -12.227 1.00 0.00 H new ATOM 669 N LEU A 44 -5.202 4.198 -6.925 1.00 0.00 N ATOM 670 CA LEU A 44 -5.242 3.053 -6.024 1.00 0.00 C ATOM 671 C LEU A 44 -6.669 2.601 -5.738 1.00 0.00 C ATOM 672 O LEU A 44 -7.602 3.404 -5.732 1.00 0.00 O ATOM 673 CB LEU A 44 -4.524 3.389 -4.717 1.00 0.00 C ATOM 674 CG LEU A 44 -3.036 3.710 -4.868 1.00 0.00 C ATOM 675 CD1 LEU A 44 -2.384 3.869 -3.505 1.00 0.00 C ATOM 676 CD2 LEU A 44 -2.337 2.625 -5.673 1.00 0.00 C ATOM 0 H LEU A 44 -4.940 5.077 -6.479 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.730 2.227 -6.519 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.020 4.242 -4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.632 2.548 -4.032 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.939 4.653 -5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.326 4.097 -3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.868 4.682 -2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.490 2.943 -2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.279 2.869 -5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.443 1.668 -5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.787 2.560 -6.663 1.00 0.00 H new ATOM 688 N GLN A 45 -6.822 1.303 -5.497 1.00 0.00 N ATOM 689 CA GLN A 45 -8.123 0.716 -5.203 1.00 0.00 C ATOM 690 C GLN A 45 -7.974 -0.457 -4.239 1.00 0.00 C ATOM 691 O GLN A 45 -6.876 -0.741 -3.759 1.00 0.00 O ATOM 692 CB GLN A 45 -8.803 0.254 -6.494 1.00 0.00 C ATOM 693 CG GLN A 45 -10.261 0.671 -6.598 1.00 0.00 C ATOM 694 CD GLN A 45 -10.812 0.520 -8.003 1.00 0.00 C ATOM 695 OE1 GLN A 45 -11.522 -0.439 -8.304 1.00 0.00 O ATOM 696 NE2 GLN A 45 -10.485 1.470 -8.871 1.00 0.00 N ATOM 0 H GLN A 45 -6.053 0.633 -5.500 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.745 1.477 -4.732 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.257 0.658 -7.347 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.739 -0.832 -6.560 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.857 0.070 -5.911 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.362 1.709 -6.282 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.893 2.247 -8.577 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.825 1.422 -9.831 1.00 0.00 H new ATOM 705 N ARG A 46 -9.081 -1.136 -3.957 1.00 0.00 N ATOM 706 CA ARG A 46 -9.064 -2.277 -3.048 1.00 0.00 C ATOM 707 C ARG A 46 -8.734 -3.568 -3.793 1.00 0.00 C ATOM 708 O ARG A 46 -9.501 -4.017 -4.644 1.00 0.00 O ATOM 709 CB ARG A 46 -10.415 -2.414 -2.342 1.00 0.00 C ATOM 710 CG ARG A 46 -10.513 -1.610 -1.055 1.00 0.00 C ATOM 711 CD ARG A 46 -11.955 -1.260 -0.725 1.00 0.00 C ATOM 712 NE ARG A 46 -12.835 -2.423 -0.812 1.00 0.00 N ATOM 713 CZ ARG A 46 -14.146 -2.381 -0.587 1.00 0.00 C ATOM 714 NH1 ARG A 46 -14.734 -1.236 -0.262 1.00 0.00 N ATOM 715 NH2 ARG A 46 -14.872 -3.485 -0.688 1.00 0.00 N ATOM 0 H ARG A 46 -9.999 -0.917 -4.344 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.287 -2.102 -2.304 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.205 -2.094 -3.022 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.594 -3.466 -2.118 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.079 -2.181 -0.234 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.928 -0.695 -1.151 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.005 -0.842 0.280 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.306 -0.488 -1.409 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.420 -3.321 -1.060 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.181 -0.383 -0.184 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.739 -1.210 -0.091 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.426 -4.368 -0.938 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.877 -3.452 -0.515 1.00 0.00 H new ATOM 729 N GLY A 47 -7.590 -4.161 -3.463 1.00 0.00 N ATOM 730 CA GLY A 47 -7.181 -5.397 -4.106 1.00 0.00 C ATOM 731 C GLY A 47 -5.903 -5.244 -4.910 1.00 0.00 C ATOM 732 O GLY A 47 -5.716 -5.915 -5.924 1.00 0.00 O ATOM 0 H GLY A 47 -6.939 -3.807 -2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.038 -6.166 -3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.980 -5.742 -4.763 1.00 0.00 H new ATOM 736 N ASP A 48 -5.020 -4.361 -4.455 1.00 0.00 N ATOM 737 CA ASP A 48 -3.753 -4.124 -5.136 1.00 0.00 C ATOM 738 C ASP A 48 -2.585 -4.277 -4.171 1.00 0.00 C ATOM 739 O ASP A 48 -2.768 -4.249 -2.958 1.00 0.00 O ATOM 740 CB ASP A 48 -3.738 -2.726 -5.755 1.00 0.00 C ATOM 741 CG ASP A 48 -4.345 -2.698 -7.143 1.00 0.00 C ATOM 742 OD1 ASP A 48 -5.544 -3.019 -7.272 1.00 0.00 O ATOM 743 OD2 ASP A 48 -3.620 -2.354 -8.100 1.00 0.00 O ATOM 0 H ASP A 48 -5.159 -3.797 -3.616 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.648 -4.865 -5.928 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.286 -2.040 -5.109 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.711 -2.365 -5.804 1.00 0.00 H new ATOM 748 N ILE A 49 -1.386 -4.441 -4.717 1.00 0.00 N ATOM 749 CA ILE A 49 -0.191 -4.600 -3.897 1.00 0.00 C ATOM 750 C ILE A 49 0.939 -3.708 -4.397 1.00 0.00 C ATOM 751 O ILE A 49 1.394 -3.849 -5.531 1.00 0.00 O ATOM 752 CB ILE A 49 0.304 -6.060 -3.887 1.00 0.00 C ATOM 753 CG1 ILE A 49 -0.876 -7.033 -3.789 1.00 0.00 C ATOM 754 CG2 ILE A 49 1.283 -6.281 -2.743 1.00 0.00 C ATOM 755 CD1 ILE A 49 -1.102 -7.837 -5.050 1.00 0.00 C ATOM 0 H ILE A 49 -1.215 -4.467 -5.722 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.469 -4.310 -2.884 1.00 0.00 H new ATOM 0 HB ILE A 49 0.823 -6.254 -4.826 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.705 -7.717 -2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.781 -6.471 -3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.623 -7.317 -2.750 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.139 -5.617 -2.863 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.789 -6.068 -1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.952 -8.504 -4.909 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.305 -7.161 -5.881 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.212 -8.426 -5.271 1.00 0.00 H new ATOM 767 N ILE A 50 1.396 -2.797 -3.545 1.00 0.00 N ATOM 768 CA ILE A 50 2.480 -1.899 -3.916 1.00 0.00 C ATOM 769 C ILE A 50 3.808 -2.639 -3.917 1.00 0.00 C ATOM 770 O ILE A 50 4.408 -2.867 -2.868 1.00 0.00 O ATOM 771 CB ILE A 50 2.580 -0.693 -2.965 1.00 0.00 C ATOM 772 CG1 ILE A 50 1.216 -0.021 -2.811 1.00 0.00 C ATOM 773 CG2 ILE A 50 3.611 0.301 -3.476 1.00 0.00 C ATOM 774 CD1 ILE A 50 0.954 0.491 -1.414 1.00 0.00 C ATOM 0 H ILE A 50 1.035 -2.662 -2.600 1.00 0.00 H new ATOM 0 HA ILE A 50 2.257 -1.531 -4.918 1.00 0.00 H new ATOM 0 HB ILE A 50 2.901 -1.049 -1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.147 0.810 -3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.436 -0.733 -3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.670 1.148 -2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.585 -0.184 -3.537 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.318 0.653 -4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.031 0.956 -1.376 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.991 -0.340 -0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.713 1.227 -1.148 1.00 0.00 H new ATOM 786 N THR A 51 4.257 -3.015 -5.105 1.00 0.00 N ATOM 787 CA THR A 51 5.516 -3.739 -5.252 1.00 0.00 C ATOM 788 C THR A 51 6.675 -2.780 -5.533 1.00 0.00 C ATOM 789 O THR A 51 7.833 -3.193 -5.593 1.00 0.00 O ATOM 790 CB THR A 51 5.402 -4.778 -6.369 1.00 0.00 C ATOM 791 OG1 THR A 51 5.494 -4.162 -7.641 1.00 0.00 O ATOM 792 CG2 THR A 51 4.107 -5.561 -6.329 1.00 0.00 C ATOM 0 H THR A 51 3.770 -2.832 -5.983 1.00 0.00 H new ATOM 0 HA THR A 51 5.724 -4.251 -4.313 1.00 0.00 H new ATOM 0 HB THR A 51 6.230 -5.468 -6.205 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.421 -4.844 -8.341 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.091 -6.280 -7.148 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.031 -6.091 -5.379 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.265 -4.877 -6.431 1.00 0.00 H new ATOM 800 N LYS A 52 6.356 -1.498 -5.690 1.00 0.00 N ATOM 801 CA LYS A 52 7.365 -0.478 -5.948 1.00 0.00 C ATOM 802 C LYS A 52 6.977 0.824 -5.256 1.00 0.00 C ATOM 803 O LYS A 52 5.795 1.157 -5.163 1.00 0.00 O ATOM 804 CB LYS A 52 7.528 -0.249 -7.452 1.00 0.00 C ATOM 805 CG LYS A 52 8.850 -0.763 -8.006 1.00 0.00 C ATOM 806 CD LYS A 52 9.526 0.274 -8.889 1.00 0.00 C ATOM 807 CE LYS A 52 10.911 -0.183 -9.321 1.00 0.00 C ATOM 808 NZ LYS A 52 11.304 0.400 -10.633 1.00 0.00 N ATOM 0 H LYS A 52 5.402 -1.141 -5.643 1.00 0.00 H new ATOM 0 HA LYS A 52 8.319 -0.823 -5.548 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.708 -0.739 -7.977 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.447 0.818 -7.660 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.512 -1.028 -7.182 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.676 -1.673 -8.580 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.911 0.460 -9.770 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.604 1.218 -8.350 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.640 0.103 -8.563 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.930 -1.271 -9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.254 0.064 -10.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.622 0.106 -11.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.311 1.438 -10.564 1.00 0.00 H new ATOM 822 N PHE A 53 7.970 1.551 -4.760 1.00 0.00 N ATOM 823 CA PHE A 53 7.714 2.806 -4.065 1.00 0.00 C ATOM 824 C PHE A 53 8.866 3.787 -4.256 1.00 0.00 C ATOM 825 O PHE A 53 9.964 3.581 -3.740 1.00 0.00 O ATOM 826 CB PHE A 53 7.488 2.531 -2.577 1.00 0.00 C ATOM 827 CG PHE A 53 7.251 3.761 -1.754 1.00 0.00 C ATOM 828 CD1 PHE A 53 8.316 4.479 -1.236 1.00 0.00 C ATOM 829 CD2 PHE A 53 5.962 4.195 -1.490 1.00 0.00 C ATOM 830 CE1 PHE A 53 8.100 5.608 -0.471 1.00 0.00 C ATOM 831 CE2 PHE A 53 5.739 5.322 -0.724 1.00 0.00 C ATOM 832 CZ PHE A 53 6.809 6.029 -0.214 1.00 0.00 C ATOM 0 H PHE A 53 8.955 1.295 -4.825 1.00 0.00 H new ATOM 0 HA PHE A 53 6.818 3.261 -4.488 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.633 1.864 -2.468 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.356 2.004 -2.181 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.326 4.152 -1.433 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.122 3.645 -1.888 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.938 6.161 -0.074 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.729 5.650 -0.524 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.638 6.911 0.386 1.00 0.00 H new ATOM 842 N ASN A 54 8.605 4.855 -5.005 1.00 0.00 N ATOM 843 CA ASN A 54 9.616 5.874 -5.270 1.00 0.00 C ATOM 844 C ASN A 54 10.865 5.255 -5.890 1.00 0.00 C ATOM 845 O ASN A 54 11.987 5.550 -5.479 1.00 0.00 O ATOM 846 CB ASN A 54 9.979 6.608 -3.978 1.00 0.00 C ATOM 847 CG ASN A 54 9.090 7.810 -3.726 1.00 0.00 C ATOM 848 OD1 ASN A 54 9.514 8.955 -3.885 1.00 0.00 O ATOM 849 ND2 ASN A 54 7.847 7.555 -3.333 1.00 0.00 N ATOM 0 H ASN A 54 7.700 5.037 -5.440 1.00 0.00 H new ATOM 0 HA ASN A 54 9.200 6.589 -5.980 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.900 5.919 -3.137 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.018 6.932 -4.028 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.202 8.324 -3.150 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.538 6.590 -3.214 1.00 0.00 H new ATOM 856 N GLY A 55 10.662 4.392 -6.880 1.00 0.00 N ATOM 857 CA GLY A 55 11.780 3.742 -7.537 1.00 0.00 C ATOM 858 C GLY A 55 12.474 2.736 -6.640 1.00 0.00 C ATOM 859 O GLY A 55 13.632 2.387 -6.865 1.00 0.00 O ATOM 0 H GLY A 55 9.743 4.131 -7.239 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.426 3.239 -8.437 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.499 4.497 -7.856 1.00 0.00 H new ATOM 863 N ASP A 56 11.761 2.265 -5.620 1.00 0.00 N ATOM 864 CA ASP A 56 12.312 1.291 -4.686 1.00 0.00 C ATOM 865 C ASP A 56 11.437 0.044 -4.627 1.00 0.00 C ATOM 866 O ASP A 56 10.340 0.070 -4.069 1.00 0.00 O ATOM 867 CB ASP A 56 12.440 1.906 -3.292 1.00 0.00 C ATOM 868 CG ASP A 56 13.155 0.990 -2.318 1.00 0.00 C ATOM 869 OD1 ASP A 56 13.985 0.174 -2.772 1.00 0.00 O ATOM 870 OD2 ASP A 56 12.885 1.088 -1.102 1.00 0.00 O ATOM 0 H ASP A 56 10.800 2.543 -5.420 1.00 0.00 H new ATOM 0 HA ASP A 56 13.302 1.003 -5.039 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.981 2.850 -3.363 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.447 2.136 -2.907 1.00 0.00 H new ATOM 875 N ALA A 57 11.927 -1.044 -5.209 1.00 0.00 N ATOM 876 CA ALA A 57 11.189 -2.300 -5.227 1.00 0.00 C ATOM 877 C ALA A 57 10.836 -2.756 -3.815 1.00 0.00 C ATOM 878 O ALA A 57 11.718 -3.010 -2.995 1.00 0.00 O ATOM 879 CB ALA A 57 11.994 -3.374 -5.943 1.00 0.00 C ATOM 0 H ALA A 57 12.833 -1.081 -5.675 1.00 0.00 H new ATOM 0 HA ALA A 57 10.258 -2.135 -5.768 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.431 -4.307 -5.949 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.188 -3.060 -6.969 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.941 -3.525 -5.425 1.00 0.00 H new ATOM 885 N LEU A 58 9.540 -2.862 -3.540 1.00 0.00 N ATOM 886 CA LEU A 58 9.069 -3.293 -2.228 1.00 0.00 C ATOM 887 C LEU A 58 8.849 -4.806 -2.196 1.00 0.00 C ATOM 888 O LEU A 58 8.172 -5.322 -1.309 1.00 0.00 O ATOM 889 CB LEU A 58 7.768 -2.571 -1.867 1.00 0.00 C ATOM 890 CG LEU A 58 7.754 -1.066 -2.154 1.00 0.00 C ATOM 891 CD1 LEU A 58 6.333 -0.521 -2.101 1.00 0.00 C ATOM 892 CD2 LEU A 58 8.647 -0.327 -1.166 1.00 0.00 C ATOM 0 H LEU A 58 8.797 -2.655 -4.208 1.00 0.00 H new ATOM 0 HA LEU A 58 9.835 -3.039 -1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.949 -3.037 -2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.569 -2.724 -0.806 1.00 0.00 H new ATOM 0 HG LEU A 58 8.144 -0.905 -3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.346 0.549 -2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.721 -1.027 -2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.914 -0.694 -1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.625 0.741 -1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.286 -0.497 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.669 -0.695 -1.254 1.00 0.00 H new ATOM 904 N GLU A 59 9.423 -5.510 -3.169 1.00 0.00 N ATOM 905 CA GLU A 59 9.284 -6.960 -3.249 1.00 0.00 C ATOM 906 C GLU A 59 10.154 -7.655 -2.209 1.00 0.00 C ATOM 907 O GLU A 59 11.255 -7.201 -1.899 1.00 0.00 O ATOM 908 CB GLU A 59 9.656 -7.451 -4.650 1.00 0.00 C ATOM 909 CG GLU A 59 8.841 -8.647 -5.111 1.00 0.00 C ATOM 910 CD GLU A 59 9.306 -9.188 -6.449 1.00 0.00 C ATOM 911 OE1 GLU A 59 8.861 -8.660 -7.490 1.00 0.00 O ATOM 912 OE2 GLU A 59 10.116 -10.138 -6.457 1.00 0.00 O ATOM 0 H GLU A 59 9.988 -5.099 -3.912 1.00 0.00 H new ATOM 0 HA GLU A 59 8.242 -7.209 -3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.521 -6.635 -5.360 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.713 -7.715 -4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.905 -9.436 -4.362 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.792 -8.361 -5.184 1.00 0.00 H new ATOM 919 N GLY A 60 9.650 -8.763 -1.676 1.00 0.00 N ATOM 920 CA GLY A 60 10.388 -9.513 -0.678 1.00 0.00 C ATOM 921 C GLY A 60 10.666 -8.704 0.575 1.00 0.00 C ATOM 922 O GLY A 60 11.575 -9.030 1.341 1.00 0.00 O ATOM 0 H GLY A 60 8.740 -9.156 -1.919 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.824 -10.407 -0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.333 -9.848 -1.106 1.00 0.00 H new ATOM 926 N LEU A 61 9.888 -7.648 0.786 1.00 0.00 N ATOM 927 CA LEU A 61 10.059 -6.794 1.954 1.00 0.00 C ATOM 928 C LEU A 61 8.833 -6.864 2.863 1.00 0.00 C ATOM 929 O LEU A 61 7.698 -6.852 2.385 1.00 0.00 O ATOM 930 CB LEU A 61 10.301 -5.350 1.516 1.00 0.00 C ATOM 931 CG LEU A 61 11.580 -5.122 0.708 1.00 0.00 C ATOM 932 CD1 LEU A 61 11.743 -3.648 0.373 1.00 0.00 C ATOM 933 CD2 LEU A 61 12.790 -5.633 1.474 1.00 0.00 C ATOM 0 H LEU A 61 9.133 -7.363 0.163 1.00 0.00 H new ATOM 0 HA LEU A 61 10.924 -7.149 2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.450 -5.020 0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.333 -4.718 2.404 1.00 0.00 H new ATOM 0 HG LEU A 61 11.503 -5.679 -0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.658 -3.505 -0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.889 -3.312 -0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.799 -3.069 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.692 -5.463 0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.871 -5.102 2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.676 -6.700 1.664 1.00 0.00 H new ATOM 945 N PRO A 62 9.041 -6.936 4.192 1.00 0.00 N ATOM 946 CA PRO A 62 7.939 -7.005 5.158 1.00 0.00 C ATOM 947 C PRO A 62 6.990 -5.817 5.032 1.00 0.00 C ATOM 948 O PRO A 62 6.968 -5.135 4.008 1.00 0.00 O ATOM 949 CB PRO A 62 8.643 -6.980 6.519 1.00 0.00 C ATOM 950 CG PRO A 62 10.035 -7.433 6.242 1.00 0.00 C ATOM 951 CD PRO A 62 10.357 -6.954 4.855 1.00 0.00 C ATOM 0 HA PRO A 62 7.321 -7.889 5.004 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.632 -5.979 6.950 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.148 -7.640 7.232 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.733 -7.018 6.970 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.113 -8.518 6.308 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.816 -5.965 4.867 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.054 -7.623 4.349 1.00 0.00 H new ATOM 959 N PHE A 63 6.210 -5.571 6.080 1.00 0.00 N ATOM 960 CA PHE A 63 5.266 -4.461 6.080 1.00 0.00 C ATOM 961 C PHE A 63 5.790 -3.298 6.913 1.00 0.00 C ATOM 962 O PHE A 63 5.413 -2.148 6.691 1.00 0.00 O ATOM 963 CB PHE A 63 3.904 -4.911 6.612 1.00 0.00 C ATOM 964 CG PHE A 63 2.859 -3.830 6.573 1.00 0.00 C ATOM 965 CD1 PHE A 63 2.817 -2.921 5.526 1.00 0.00 C ATOM 966 CD2 PHE A 63 1.916 -3.723 7.583 1.00 0.00 C ATOM 967 CE1 PHE A 63 1.857 -1.928 5.488 1.00 0.00 C ATOM 968 CE2 PHE A 63 0.953 -2.733 7.551 1.00 0.00 C ATOM 969 CZ PHE A 63 0.924 -1.834 6.501 1.00 0.00 C ATOM 0 H PHE A 63 6.213 -6.124 6.937 1.00 0.00 H new ATOM 0 HA PHE A 63 5.149 -4.124 5.050 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.557 -5.762 6.026 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.020 -5.257 7.639 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.544 -2.990 4.730 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.934 -4.423 8.406 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.837 -1.227 4.667 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.224 -2.661 8.345 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.172 -1.059 6.473 1.00 0.00 H new ATOM 979 N GLN A 64 6.662 -3.599 7.872 1.00 0.00 N ATOM 980 CA GLN A 64 7.235 -2.567 8.729 1.00 0.00 C ATOM 981 C GLN A 64 7.915 -1.491 7.890 1.00 0.00 C ATOM 982 O GLN A 64 7.699 -0.297 8.095 1.00 0.00 O ATOM 983 CB GLN A 64 8.238 -3.183 9.706 1.00 0.00 C ATOM 984 CG GLN A 64 9.311 -4.022 9.029 1.00 0.00 C ATOM 985 CD GLN A 64 9.765 -5.188 9.885 1.00 0.00 C ATOM 986 OE1 GLN A 64 10.831 -5.145 10.499 1.00 0.00 O ATOM 987 NE2 GLN A 64 8.955 -6.239 9.931 1.00 0.00 N ATOM 0 H GLN A 64 6.986 -4.545 8.074 1.00 0.00 H new ATOM 0 HA GLN A 64 6.427 -2.106 9.298 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.717 -2.385 10.273 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.700 -3.805 10.422 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.928 -4.399 8.081 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.169 -3.390 8.797 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.080 -6.232 9.406 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.207 -7.053 10.491 1.00 0.00 H new ATOM 996 N VAL A 65 8.733 -1.926 6.936 1.00 0.00 N ATOM 997 CA VAL A 65 9.440 -1.004 6.059 1.00 0.00 C ATOM 998 C VAL A 65 8.465 -0.272 5.143 1.00 0.00 C ATOM 999 O VAL A 65 8.546 0.945 4.978 1.00 0.00 O ATOM 1000 CB VAL A 65 10.491 -1.734 5.200 1.00 0.00 C ATOM 1001 CG1 VAL A 65 11.568 -2.346 6.082 1.00 0.00 C ATOM 1002 CG2 VAL A 65 9.833 -2.798 4.334 1.00 0.00 C ATOM 0 H VAL A 65 8.921 -2.911 6.752 1.00 0.00 H new ATOM 0 HA VAL A 65 9.950 -0.283 6.698 1.00 0.00 H new ATOM 0 HB VAL A 65 10.962 -1.005 4.541 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.302 -2.857 5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.062 -1.559 6.652 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.114 -3.061 6.768 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.593 -3.301 3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.331 -3.527 4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.103 -2.330 3.674 1.00 0.00 H new ATOM 1012 N CYS A 66 7.536 -1.022 4.555 1.00 0.00 N ATOM 1013 CA CYS A 66 6.538 -0.447 3.660 1.00 0.00 C ATOM 1014 C CYS A 66 5.754 0.655 4.365 1.00 0.00 C ATOM 1015 O CYS A 66 5.585 1.751 3.832 1.00 0.00 O ATOM 1016 CB CYS A 66 5.581 -1.532 3.164 1.00 0.00 C ATOM 1017 SG CYS A 66 6.217 -2.498 1.774 1.00 0.00 S ATOM 0 H CYS A 66 7.455 -2.031 4.683 1.00 0.00 H new ATOM 0 HA CYS A 66 7.056 -0.013 2.805 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.356 -2.208 3.989 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.641 -1.065 2.868 1.00 0.00 H new ATOM 0 HG CYS A 66 6.617 -3.659 2.200 1.00 0.00 H new ATOM 1023 N TYR A 67 5.284 0.356 5.569 1.00 0.00 N ATOM 1024 CA TYR A 67 4.525 1.319 6.355 1.00 0.00 C ATOM 1025 C TYR A 67 5.396 2.514 6.734 1.00 0.00 C ATOM 1026 O TYR A 67 4.904 3.631 6.884 1.00 0.00 O ATOM 1027 CB TYR A 67 3.972 0.659 7.618 1.00 0.00 C ATOM 1028 CG TYR A 67 2.829 1.425 8.244 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.573 1.440 7.653 1.00 0.00 C ATOM 1030 CD2 TYR A 67 3.008 2.135 9.424 1.00 0.00 C ATOM 1031 CE1 TYR A 67 0.526 2.142 8.220 1.00 0.00 C ATOM 1032 CE2 TYR A 67 1.966 2.839 9.997 1.00 0.00 C ATOM 1033 CZ TYR A 67 0.728 2.840 9.392 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.312 3.541 9.959 1.00 0.00 O ATOM 0 H TYR A 67 5.416 -0.548 6.023 1.00 0.00 H new ATOM 0 HA TYR A 67 3.693 1.672 5.746 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.634 -0.348 7.375 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.775 0.558 8.348 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.411 0.894 6.735 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.977 2.137 9.901 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.445 2.144 7.748 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.121 3.386 10.915 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.475 4.358 9.443 1.00 0.00 H new ATOM 1044 N ALA A 68 6.693 2.263 6.899 1.00 0.00 N ATOM 1045 CA ALA A 68 7.635 3.312 7.276 1.00 0.00 C ATOM 1046 C ALA A 68 7.850 4.323 6.152 1.00 0.00 C ATOM 1047 O ALA A 68 7.744 5.530 6.367 1.00 0.00 O ATOM 1048 CB ALA A 68 8.964 2.694 7.679 1.00 0.00 C ATOM 0 H ALA A 68 7.115 1.342 6.777 1.00 0.00 H new ATOM 0 HA ALA A 68 7.206 3.849 8.122 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.662 3.483 7.959 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.812 2.026 8.527 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.372 2.129 6.841 1.00 0.00 H new ATOM 1054 N LEU A 69 8.152 3.831 4.953 1.00 0.00 N ATOM 1055 CA LEU A 69 8.375 4.714 3.812 1.00 0.00 C ATOM 1056 C LEU A 69 7.074 5.385 3.397 1.00 0.00 C ATOM 1057 O LEU A 69 7.063 6.546 2.989 1.00 0.00 O ATOM 1058 CB LEU A 69 8.975 3.946 2.631 1.00 0.00 C ATOM 1059 CG LEU A 69 8.338 2.583 2.348 1.00 0.00 C ATOM 1060 CD1 LEU A 69 7.669 2.575 0.983 1.00 0.00 C ATOM 1061 CD2 LEU A 69 9.381 1.478 2.436 1.00 0.00 C ATOM 0 H LEU A 69 8.247 2.836 4.748 1.00 0.00 H new ATOM 0 HA LEU A 69 9.086 5.482 4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.889 4.562 1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.039 3.800 2.816 1.00 0.00 H new ATOM 0 HG LEU A 69 7.575 2.399 3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.223 1.597 0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.892 3.339 0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.412 2.783 0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.910 0.516 2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.167 1.660 1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.814 1.465 3.436 1.00 0.00 H new ATOM 1073 N PHE A 70 5.975 4.650 3.521 1.00 0.00 N ATOM 1074 CA PHE A 70 4.664 5.178 3.176 1.00 0.00 C ATOM 1075 C PHE A 70 4.235 6.233 4.190 1.00 0.00 C ATOM 1076 O PHE A 70 3.467 7.138 3.872 1.00 0.00 O ATOM 1077 CB PHE A 70 3.628 4.052 3.113 1.00 0.00 C ATOM 1078 CG PHE A 70 3.450 3.488 1.733 1.00 0.00 C ATOM 1079 CD1 PHE A 70 4.417 2.666 1.179 1.00 0.00 C ATOM 1080 CD2 PHE A 70 2.320 3.785 0.988 1.00 0.00 C ATOM 1081 CE1 PHE A 70 4.261 2.151 -0.093 1.00 0.00 C ATOM 1082 CE2 PHE A 70 2.159 3.271 -0.285 1.00 0.00 C ATOM 1083 CZ PHE A 70 3.132 2.454 -0.826 1.00 0.00 C ATOM 0 H PHE A 70 5.967 3.687 3.858 1.00 0.00 H new ATOM 0 HA PHE A 70 4.729 5.642 2.192 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.929 3.252 3.789 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.670 4.428 3.471 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.303 2.425 1.748 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.557 4.425 1.406 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.023 1.511 -0.514 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.273 3.508 -0.856 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.009 2.053 -1.821 1.00 0.00 H new ATOM 1093 N LYS A 71 4.743 6.107 5.414 1.00 0.00 N ATOM 1094 CA LYS A 71 4.422 7.050 6.479 1.00 0.00 C ATOM 1095 C LYS A 71 5.327 8.276 6.402 1.00 0.00 C ATOM 1096 O LYS A 71 4.876 9.407 6.583 1.00 0.00 O ATOM 1097 CB LYS A 71 4.578 6.380 7.845 1.00 0.00 C ATOM 1098 CG LYS A 71 3.304 5.729 8.355 1.00 0.00 C ATOM 1099 CD LYS A 71 3.268 5.695 9.875 1.00 0.00 C ATOM 1100 CE LYS A 71 4.401 4.855 10.441 1.00 0.00 C ATOM 1101 NZ LYS A 71 5.526 5.697 10.934 1.00 0.00 N ATOM 0 H LYS A 71 5.379 5.360 5.692 1.00 0.00 H new ATOM 0 HA LYS A 71 3.387 7.368 6.352 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.361 5.625 7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.910 7.124 8.569 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.439 6.277 7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.231 4.714 7.965 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.337 6.711 10.264 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.312 5.290 10.208 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.023 4.240 11.258 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.767 4.174 9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.189 5.107 11.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.022 6.122 10.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.153 6.451 11.546 1.00 0.00 H new ATOM 1115 N GLY A 72 6.608 8.039 6.135 1.00 0.00 N ATOM 1116 CA GLY A 72 7.563 9.128 6.042 1.00 0.00 C ATOM 1117 C GLY A 72 7.434 9.916 4.752 1.00 0.00 C ATOM 1118 O GLY A 72 7.849 11.071 4.683 1.00 0.00 O ATOM 0 H GLY A 72 7.002 7.111 5.981 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.424 9.800 6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.573 8.726 6.117 1.00 0.00 H new ATOM 1122 N ALA A 73 6.856 9.290 3.727 1.00 0.00 N ATOM 1123 CA ALA A 73 6.671 9.937 2.427 1.00 0.00 C ATOM 1124 C ALA A 73 6.178 11.376 2.577 1.00 0.00 C ATOM 1125 O ALA A 73 5.181 11.635 3.250 1.00 0.00 O ATOM 1126 CB ALA A 73 5.701 9.131 1.583 1.00 0.00 C ATOM 0 H ALA A 73 6.507 8.333 3.772 1.00 0.00 H new ATOM 0 HA ALA A 73 7.640 9.974 1.928 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.568 9.618 0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.098 8.127 1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.740 9.068 2.093 1.00 0.00 H new ATOM 1132 N ASN A 74 6.881 12.309 1.944 1.00 0.00 N ATOM 1133 CA ASN A 74 6.509 13.719 2.006 1.00 0.00 C ATOM 1134 C ASN A 74 7.050 14.477 0.799 1.00 0.00 C ATOM 1135 O ASN A 74 8.241 14.777 0.723 1.00 0.00 O ATOM 1136 CB ASN A 74 7.030 14.356 3.296 1.00 0.00 C ATOM 1137 CG ASN A 74 8.538 14.287 3.409 1.00 0.00 C ATOM 1138 OD1 ASN A 74 9.236 15.277 3.193 1.00 0.00 O ATOM 1139 ND2 ASN A 74 9.048 13.110 3.750 1.00 0.00 N ATOM 0 H ASN A 74 7.710 12.115 1.383 1.00 0.00 H new ATOM 0 HA ASN A 74 5.421 13.779 1.996 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.713 15.398 3.336 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.581 13.853 4.153 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.058 12.999 3.843 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.430 12.316 3.920 1.00 0.00 H new ATOM 1146 N GLY A 75 6.165 14.783 -0.142 1.00 0.00 N ATOM 1147 CA GLY A 75 6.568 15.503 -1.336 1.00 0.00 C ATOM 1148 C GLY A 75 6.584 14.616 -2.563 1.00 0.00 C ATOM 1149 O GLY A 75 7.623 14.064 -2.924 1.00 0.00 O ATOM 0 H GLY A 75 5.174 14.545 -0.100 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.886 16.337 -1.502 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.560 15.928 -1.184 1.00 0.00 H new ATOM 1153 N LYS A 76 5.427 14.474 -3.203 1.00 0.00 N ATOM 1154 CA LYS A 76 5.306 13.644 -4.392 1.00 0.00 C ATOM 1155 C LYS A 76 5.676 12.197 -4.070 1.00 0.00 C ATOM 1156 O LYS A 76 6.813 11.899 -3.707 1.00 0.00 O ATOM 1157 CB LYS A 76 6.196 14.189 -5.505 1.00 0.00 C ATOM 1158 CG LYS A 76 5.549 14.143 -6.879 1.00 0.00 C ATOM 1159 CD LYS A 76 4.925 15.480 -7.250 1.00 0.00 C ATOM 1160 CE LYS A 76 3.407 15.430 -7.166 1.00 0.00 C ATOM 1161 NZ LYS A 76 2.781 15.304 -8.511 1.00 0.00 N ATOM 0 H LYS A 76 4.559 14.925 -2.915 1.00 0.00 H new ATOM 0 HA LYS A 76 4.271 13.666 -4.732 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.463 15.220 -5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.124 13.617 -5.530 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.296 13.870 -7.624 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.784 13.367 -6.896 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.302 16.256 -6.584 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.226 15.755 -8.261 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.105 14.587 -6.545 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.040 16.333 -6.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.746 15.273 -8.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.048 16.121 -9.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.111 14.429 -8.967 1.00 0.00 H new ATOM 1175 N VAL A 77 4.699 11.304 -4.190 1.00 0.00 N ATOM 1176 CA VAL A 77 4.910 9.890 -3.893 1.00 0.00 C ATOM 1177 C VAL A 77 4.413 8.999 -5.022 1.00 0.00 C ATOM 1178 O VAL A 77 3.209 8.834 -5.205 1.00 0.00 O ATOM 1179 CB VAL A 77 4.184 9.482 -2.598 1.00 0.00 C ATOM 1180 CG1 VAL A 77 5.116 9.584 -1.407 1.00 0.00 C ATOM 1181 CG2 VAL A 77 2.943 10.325 -2.385 1.00 0.00 C ATOM 0 H VAL A 77 3.752 11.534 -4.491 1.00 0.00 H new ATOM 0 HA VAL A 77 5.985 9.756 -3.774 1.00 0.00 H new ATOM 0 HB VAL A 77 3.871 8.443 -2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.583 9.291 -0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.970 8.923 -1.555 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.466 10.611 -1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.448 10.017 -1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.225 11.375 -2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.262 10.189 -3.225 1.00 0.00 H new ATOM 1191 N SER A 78 5.344 8.409 -5.761 1.00 0.00 N ATOM 1192 CA SER A 78 4.991 7.520 -6.860 1.00 0.00 C ATOM 1193 C SER A 78 5.109 6.064 -6.422 1.00 0.00 C ATOM 1194 O SER A 78 6.204 5.577 -6.146 1.00 0.00 O ATOM 1195 CB SER A 78 5.891 7.781 -8.067 1.00 0.00 C ATOM 1196 OG SER A 78 5.458 7.045 -9.198 1.00 0.00 O ATOM 0 H SER A 78 6.347 8.530 -5.620 1.00 0.00 H new ATOM 0 HA SER A 78 3.958 7.718 -7.146 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.891 8.846 -8.301 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.918 7.508 -7.824 1.00 0.00 H new ATOM 0 HG SER A 78 6.050 7.231 -9.956 1.00 0.00 H new ATOM 1202 N MET A 79 3.973 5.376 -6.348 1.00 0.00 N ATOM 1203 CA MET A 79 3.953 3.981 -5.928 1.00 0.00 C ATOM 1204 C MET A 79 3.415 3.075 -7.030 1.00 0.00 C ATOM 1205 O MET A 79 2.303 3.272 -7.520 1.00 0.00 O ATOM 1206 CB MET A 79 3.099 3.810 -4.666 1.00 0.00 C ATOM 1207 CG MET A 79 2.969 5.073 -3.826 1.00 0.00 C ATOM 1208 SD MET A 79 1.418 5.945 -4.116 1.00 0.00 S ATOM 1209 CE MET A 79 0.636 5.782 -2.511 1.00 0.00 C ATOM 0 H MET A 79 3.056 5.762 -6.573 1.00 0.00 H new ATOM 0 HA MET A 79 4.982 3.692 -5.712 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.103 3.476 -4.957 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.533 3.021 -4.051 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.042 4.811 -2.770 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.803 5.739 -4.048 1.00 0.00 H new ATOM 0 HE1 MET A 79 -0.305 6.333 -2.507 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.441 4.729 -2.306 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.296 6.185 -1.742 1.00 0.00 H new ATOM 1219 N GLU A 80 4.201 2.069 -7.405 1.00 0.00 N ATOM 1220 CA GLU A 80 3.784 1.127 -8.436 1.00 0.00 C ATOM 1221 C GLU A 80 2.977 -0.006 -7.813 1.00 0.00 C ATOM 1222 O GLU A 80 3.530 -0.894 -7.163 1.00 0.00 O ATOM 1223 CB GLU A 80 4.993 0.565 -9.190 1.00 0.00 C ATOM 1224 CG GLU A 80 4.963 0.849 -10.683 1.00 0.00 C ATOM 1225 CD GLU A 80 6.347 0.851 -11.304 1.00 0.00 C ATOM 1226 OE1 GLU A 80 7.128 -0.078 -11.012 1.00 0.00 O ATOM 1227 OE2 GLU A 80 6.647 1.781 -12.081 1.00 0.00 O ATOM 0 H GLU A 80 5.125 1.887 -7.012 1.00 0.00 H new ATOM 0 HA GLU A 80 3.158 1.659 -9.152 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.904 0.988 -8.766 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.039 -0.513 -9.034 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.347 0.099 -11.179 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.490 1.816 -10.856 1.00 0.00 H new ATOM 1234 N VAL A 81 1.666 0.042 -8.005 1.00 0.00 N ATOM 1235 CA VAL A 81 0.771 -0.968 -7.452 1.00 0.00 C ATOM 1236 C VAL A 81 0.472 -2.064 -8.465 1.00 0.00 C ATOM 1237 O VAL A 81 0.339 -1.803 -9.659 1.00 0.00 O ATOM 1238 CB VAL A 81 -0.557 -0.357 -6.971 1.00 0.00 C ATOM 1239 CG1 VAL A 81 -0.425 0.146 -5.545 1.00 0.00 C ATOM 1240 CG2 VAL A 81 -1.000 0.759 -7.897 1.00 0.00 C ATOM 0 H VAL A 81 1.196 0.772 -8.541 1.00 0.00 H new ATOM 0 HA VAL A 81 1.291 -1.400 -6.597 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.320 -1.135 -6.990 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.373 0.575 -5.221 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.159 -0.684 -4.890 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.353 0.908 -5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.941 1.177 -7.539 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.240 1.540 -7.916 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.139 0.363 -8.903 1.00 0.00 H new ATOM 1250 N THR A 82 0.369 -3.294 -7.974 1.00 0.00 N ATOM 1251 CA THR A 82 0.089 -4.441 -8.827 1.00 0.00 C ATOM 1252 C THR A 82 -1.331 -4.950 -8.595 1.00 0.00 C ATOM 1253 O THR A 82 -1.690 -5.334 -7.483 1.00 0.00 O ATOM 1254 CB THR A 82 1.099 -5.558 -8.551 1.00 0.00 C ATOM 1255 OG1 THR A 82 2.422 -5.128 -8.828 1.00 0.00 O ATOM 1256 CG2 THR A 82 0.848 -6.812 -9.358 1.00 0.00 C ATOM 0 H THR A 82 0.476 -3.522 -6.986 1.00 0.00 H new ATOM 0 HA THR A 82 0.178 -4.129 -9.867 1.00 0.00 H new ATOM 0 HB THR A 82 0.975 -5.795 -7.494 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.405 -4.200 -9.141 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.601 -7.560 -9.111 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.142 -7.203 -9.124 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.904 -6.578 -10.421 1.00 0.00 H new ATOM 1264 N ARG A 83 -2.137 -4.942 -9.653 1.00 0.00 N ATOM 1265 CA ARG A 83 -3.521 -5.396 -9.568 1.00 0.00 C ATOM 1266 C ARG A 83 -3.683 -6.787 -10.175 1.00 0.00 C ATOM 1267 O ARG A 83 -3.909 -6.925 -11.378 1.00 0.00 O ATOM 1268 CB ARG A 83 -4.448 -4.409 -10.279 1.00 0.00 C ATOM 1269 CG ARG A 83 -5.922 -4.638 -9.986 1.00 0.00 C ATOM 1270 CD ARG A 83 -6.791 -4.266 -11.177 1.00 0.00 C ATOM 1271 NE ARG A 83 -8.064 -3.680 -10.764 1.00 0.00 N ATOM 1272 CZ ARG A 83 -9.122 -3.567 -11.563 1.00 0.00 C ATOM 1273 NH1 ARG A 83 -9.065 -3.999 -12.817 1.00 0.00 N ATOM 1274 NH2 ARG A 83 -10.242 -3.020 -11.107 1.00 0.00 N ATOM 0 H ARG A 83 -1.855 -4.625 -10.581 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.792 -5.448 -8.513 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.181 -3.395 -9.983 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.285 -4.480 -11.354 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.085 -5.685 -9.728 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.218 -4.047 -9.119 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.255 -3.559 -11.810 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.979 -5.154 -11.780 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.147 -3.337 -9.807 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.207 -4.420 -13.173 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.879 -3.910 -13.425 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.291 -2.686 -10.144 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.053 -2.933 -11.719 1.00 0.00 H new ATOM 1288 N PRO A 84 -3.574 -7.841 -9.348 1.00 0.00 N ATOM 1289 CA PRO A 84 -3.715 -9.224 -9.812 1.00 0.00 C ATOM 1290 C PRO A 84 -5.156 -9.567 -10.173 1.00 0.00 C ATOM 1291 O PRO A 84 -6.039 -8.709 -10.129 1.00 0.00 O ATOM 1292 CB PRO A 84 -3.254 -10.049 -8.611 1.00 0.00 C ATOM 1293 CG PRO A 84 -3.514 -9.180 -7.430 1.00 0.00 C ATOM 1294 CD PRO A 84 -3.307 -7.766 -7.899 1.00 0.00 C ATOM 0 HA PRO A 84 -3.141 -9.412 -10.720 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.805 -10.987 -8.541 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -2.197 -10.305 -8.689 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.528 -9.322 -7.057 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -2.836 -9.422 -6.611 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -3.987 -7.074 -7.401 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.294 -7.420 -7.695 1.00 0.00 H new ATOM 1302 N LYS A 85 -5.389 -10.826 -10.529 1.00 0.00 N ATOM 1303 CA LYS A 85 -6.725 -11.282 -10.897 1.00 0.00 C ATOM 1304 C LYS A 85 -7.134 -12.496 -10.067 1.00 0.00 C ATOM 1305 O LYS A 85 -6.285 -13.254 -9.599 1.00 0.00 O ATOM 1306 CB LYS A 85 -6.776 -11.627 -12.386 1.00 0.00 C ATOM 1307 CG LYS A 85 -5.765 -12.682 -12.803 1.00 0.00 C ATOM 1308 CD LYS A 85 -5.445 -12.592 -14.285 1.00 0.00 C ATOM 1309 CE LYS A 85 -5.275 -13.970 -14.904 1.00 0.00 C ATOM 1310 NZ LYS A 85 -5.350 -13.925 -16.390 1.00 0.00 N ATOM 0 H LYS A 85 -4.670 -11.549 -10.571 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.427 -10.473 -10.694 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.778 -11.978 -12.635 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.603 -10.721 -12.966 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.850 -12.559 -12.224 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.156 -13.673 -12.574 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.244 -12.057 -14.799 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.532 -12.013 -14.427 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.315 -14.388 -14.602 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.047 -14.637 -14.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.229 -14.884 -16.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.276 -13.550 -16.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.597 -13.309 -16.757 1.00 0.00 H new ATOM 1324 N PRO A 86 -8.450 -12.696 -9.873 1.00 0.00 N ATOM 1325 CA PRO A 86 -8.970 -13.826 -9.095 1.00 0.00 C ATOM 1326 C PRO A 86 -8.760 -15.162 -9.799 1.00 0.00 C ATOM 1327 O PRO A 86 -8.547 -15.209 -11.011 1.00 0.00 O ATOM 1328 CB PRO A 86 -10.463 -13.516 -8.971 1.00 0.00 C ATOM 1329 CG PRO A 86 -10.771 -12.652 -10.145 1.00 0.00 C ATOM 1330 CD PRO A 86 -9.531 -11.840 -10.396 1.00 0.00 C ATOM 0 HA PRO A 86 -8.461 -13.928 -8.137 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.059 -14.429 -8.984 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -10.684 -13.004 -8.034 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -11.027 -13.254 -11.017 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.626 -12.007 -9.942 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.398 -11.628 -11.457 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -9.568 -10.880 -9.881 1.00 0.00 H new ATOM 1338 N GLY A 87 -8.820 -16.245 -9.032 1.00 0.00 N ATOM 1339 CA GLY A 87 -8.634 -17.567 -9.599 1.00 0.00 C ATOM 1340 C GLY A 87 -8.907 -18.673 -8.597 1.00 0.00 C ATOM 1341 O GLY A 87 -9.723 -19.559 -8.849 1.00 0.00 O ATOM 0 H GLY A 87 -8.994 -16.231 -8.027 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.296 -17.687 -10.457 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.613 -17.660 -9.968 1.00 0.00 H new ATOM 1345 N SER A 88 -8.222 -18.620 -7.460 1.00 0.00 N ATOM 1346 CA SER A 88 -8.394 -19.625 -6.417 1.00 0.00 C ATOM 1347 C SER A 88 -9.512 -19.229 -5.459 1.00 0.00 C ATOM 1348 O SER A 88 -10.321 -20.064 -5.054 1.00 0.00 O ATOM 1349 CB SER A 88 -7.089 -19.817 -5.644 1.00 0.00 C ATOM 1350 OG SER A 88 -7.058 -21.078 -4.998 1.00 0.00 O ATOM 0 H SER A 88 -7.543 -17.892 -7.237 1.00 0.00 H new ATOM 0 HA SER A 88 -8.666 -20.566 -6.896 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.243 -19.734 -6.326 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.981 -19.024 -4.904 1.00 0.00 H new ATOM 0 HG SER A 88 -6.212 -21.176 -4.512 1.00 0.00 H new ATOM 1356 N GLY A 89 -9.551 -17.950 -5.098 1.00 0.00 N ATOM 1357 CA GLY A 89 -10.574 -17.467 -4.190 1.00 0.00 C ATOM 1358 C GLY A 89 -10.140 -16.224 -3.438 1.00 0.00 C ATOM 1359 O GLY A 89 -8.950 -15.919 -3.364 1.00 0.00 O ATOM 0 H GLY A 89 -8.892 -17.240 -5.418 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.482 -17.249 -4.753 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.822 -18.252 -3.476 1.00 0.00 H new ATOM 1363 N GLY A 90 -11.108 -15.507 -2.876 1.00 0.00 N ATOM 1364 CA GLY A 90 -10.800 -14.300 -2.132 1.00 0.00 C ATOM 1365 C GLY A 90 -10.904 -13.051 -2.984 1.00 0.00 C ATOM 1366 O GLY A 90 -9.939 -12.297 -3.114 1.00 0.00 O ATOM 0 H GLY A 90 -12.100 -15.740 -2.923 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.480 -14.216 -1.285 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.792 -14.375 -1.725 1.00 0.00 H new ATOM 1370 N SER A 91 -12.077 -12.830 -3.567 1.00 0.00 N ATOM 1371 CA SER A 91 -12.303 -11.663 -4.413 1.00 0.00 C ATOM 1372 C SER A 91 -13.092 -10.591 -3.668 1.00 0.00 C ATOM 1373 O SER A 91 -13.786 -9.779 -4.279 1.00 0.00 O ATOM 1374 CB SER A 91 -13.049 -12.067 -5.687 1.00 0.00 C ATOM 1375 OG SER A 91 -12.861 -11.110 -6.714 1.00 0.00 O ATOM 0 H SER A 91 -12.886 -13.443 -3.470 1.00 0.00 H new ATOM 0 HA SER A 91 -11.331 -11.250 -4.683 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.696 -13.041 -6.025 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.113 -12.170 -5.472 1.00 0.00 H new ATOM 0 HG SER A 91 -13.085 -10.218 -6.375 1.00 0.00 H new ATOM 1381 N GLY A 92 -12.981 -10.592 -2.342 1.00 0.00 N ATOM 1382 CA GLY A 92 -13.691 -9.614 -1.538 1.00 0.00 C ATOM 1383 C GLY A 92 -12.759 -8.598 -0.907 1.00 0.00 C ATOM 1384 O GLY A 92 -11.593 -8.493 -1.287 1.00 0.00 O ATOM 0 H GLY A 92 -12.413 -11.252 -1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -14.420 -9.096 -2.161 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.248 -10.127 -0.755 1.00 0.00 H new ATOM 1388 N SER A 93 -13.275 -7.847 0.061 1.00 0.00 N ATOM 1389 CA SER A 93 -12.483 -6.833 0.747 1.00 0.00 C ATOM 1390 C SER A 93 -11.708 -7.445 1.910 1.00 0.00 C ATOM 1391 O SER A 93 -11.934 -8.596 2.282 1.00 0.00 O ATOM 1392 CB SER A 93 -13.386 -5.707 1.254 1.00 0.00 C ATOM 1393 OG SER A 93 -12.806 -4.437 1.007 1.00 0.00 O ATOM 0 H SER A 93 -14.238 -7.922 0.388 1.00 0.00 H new ATOM 0 HA SER A 93 -11.768 -6.421 0.035 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.358 -5.768 0.764 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.559 -5.829 2.323 1.00 0.00 H new ATOM 0 HG SER A 93 -13.216 -3.770 1.597 1.00 0.00 H new ATOM 1399 N LEU A 94 -10.792 -6.668 2.480 1.00 0.00 N ATOM 1400 CA LEU A 94 -9.985 -7.135 3.600 1.00 0.00 C ATOM 1401 C LEU A 94 -10.694 -6.879 4.928 1.00 0.00 C ATOM 1402 O LEU A 94 -10.578 -7.668 5.866 1.00 0.00 O ATOM 1403 CB LEU A 94 -8.616 -6.448 3.591 1.00 0.00 C ATOM 1404 CG LEU A 94 -7.417 -7.394 3.685 1.00 0.00 C ATOM 1405 CD1 LEU A 94 -7.504 -8.240 4.946 1.00 0.00 C ATOM 1406 CD2 LEU A 94 -7.341 -8.279 2.450 1.00 0.00 C ATOM 0 H LEU A 94 -10.591 -5.713 2.184 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.842 -8.210 3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.526 -5.862 2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.573 -5.747 4.424 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.507 -6.796 3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.643 -8.907 4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.511 -7.590 5.821 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.420 -8.831 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.483 -8.946 2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.253 -8.870 2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.232 -7.656 1.562 1.00 0.00 H new ATOM 1418 N VAL A 95 -11.429 -5.774 5.000 1.00 0.00 N ATOM 1419 CA VAL A 95 -12.158 -5.419 6.211 1.00 0.00 C ATOM 1420 C VAL A 95 -13.364 -6.336 6.413 1.00 0.00 C ATOM 1421 O VAL A 95 -14.065 -6.671 5.458 1.00 0.00 O ATOM 1422 CB VAL A 95 -12.634 -3.952 6.173 1.00 0.00 C ATOM 1423 CG1 VAL A 95 -13.578 -3.721 5.002 1.00 0.00 C ATOM 1424 CG2 VAL A 95 -13.299 -3.568 7.486 1.00 0.00 C ATOM 0 H VAL A 95 -11.535 -5.109 4.234 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.468 -5.543 7.046 1.00 0.00 H new ATOM 0 HB VAL A 95 -11.761 -3.315 6.035 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -13.901 -2.680 4.995 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -13.062 -3.947 4.069 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -14.448 -4.370 5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.627 -2.530 7.438 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -14.160 -4.213 7.660 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -12.587 -3.686 8.303 1.00 0.00 H new ATOM 1434 N PRO A 96 -13.617 -6.761 7.664 1.00 0.00 N ATOM 1435 CA PRO A 96 -14.733 -7.647 7.986 1.00 0.00 C ATOM 1436 C PRO A 96 -16.046 -6.899 8.220 1.00 0.00 C ATOM 1437 O PRO A 96 -16.910 -7.366 8.962 1.00 0.00 O ATOM 1438 CB PRO A 96 -14.270 -8.323 9.272 1.00 0.00 C ATOM 1439 CG PRO A 96 -13.352 -7.344 9.931 1.00 0.00 C ATOM 1440 CD PRO A 96 -12.825 -6.421 8.859 1.00 0.00 C ATOM 0 HA PRO A 96 -14.953 -8.334 7.169 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -15.116 -8.562 9.916 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -13.756 -9.261 9.059 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -13.882 -6.778 10.697 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -12.532 -7.862 10.427 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -12.953 -5.375 9.137 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -11.760 -6.577 8.688 1.00 0.00 H new ATOM 1448 N ARG A 97 -16.193 -5.746 7.578 1.00 0.00 N ATOM 1449 CA ARG A 97 -17.405 -4.943 7.712 1.00 0.00 C ATOM 1450 C ARG A 97 -17.666 -4.571 9.170 1.00 0.00 C ATOM 1451 O ARG A 97 -18.732 -4.859 9.715 1.00 0.00 O ATOM 1452 CB ARG A 97 -18.607 -5.702 7.144 1.00 0.00 C ATOM 1453 CG ARG A 97 -18.785 -5.526 5.645 1.00 0.00 C ATOM 1454 CD ARG A 97 -19.338 -4.149 5.308 1.00 0.00 C ATOM 1455 NE ARG A 97 -19.049 -3.766 3.929 1.00 0.00 N ATOM 1456 CZ ARG A 97 -19.684 -2.791 3.282 1.00 0.00 C ATOM 1457 NH1 ARG A 97 -20.643 -2.100 3.885 1.00 0.00 N ATOM 1458 NH2 ARG A 97 -19.357 -2.505 2.029 1.00 0.00 N ATOM 0 H ARG A 97 -15.488 -5.345 6.959 1.00 0.00 H new ATOM 0 HA ARG A 97 -17.260 -4.022 7.147 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -18.494 -6.763 7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -19.511 -5.365 7.651 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -17.827 -5.667 5.145 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -19.459 -6.293 5.265 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -20.416 -4.142 5.468 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -18.911 -3.411 5.986 1.00 0.00 H new ATOM 0 HE ARG A 97 -18.318 -4.275 3.432 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -20.897 -2.315 4.849 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -21.126 -1.354 3.384 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -18.619 -3.032 1.561 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -19.843 -1.758 1.533 1.00 0.00 H new ATOM 1472 N LEU A 98 -16.685 -3.930 9.797 1.00 0.00 N ATOM 1473 CA LEU A 98 -16.811 -3.519 11.190 1.00 0.00 C ATOM 1474 C LEU A 98 -17.332 -2.089 11.292 1.00 0.00 C ATOM 1475 O LEU A 98 -18.372 -1.839 11.901 1.00 0.00 O ATOM 1476 CB LEU A 98 -15.461 -3.644 11.902 1.00 0.00 C ATOM 1477 CG LEU A 98 -15.278 -4.917 12.732 1.00 0.00 C ATOM 1478 CD1 LEU A 98 -15.791 -6.133 11.974 1.00 0.00 C ATOM 1479 CD2 LEU A 98 -13.816 -5.102 13.108 1.00 0.00 C ATOM 0 H LEU A 98 -15.795 -3.684 9.363 1.00 0.00 H new ATOM 0 HA LEU A 98 -17.530 -4.178 11.676 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -14.669 -3.599 11.155 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -15.332 -2.781 12.556 1.00 0.00 H new ATOM 0 HG LEU A 98 -15.861 -4.814 13.648 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -15.651 -7.027 12.582 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -16.851 -6.005 11.756 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -15.239 -6.240 11.040 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -13.704 -6.012 13.698 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -13.215 -5.181 12.202 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -13.480 -4.246 13.694 1.00 0.00 H new ATOM 1491 N LEU A 99 -16.601 -1.153 10.694 1.00 0.00 N ATOM 1492 CA LEU A 99 -16.991 0.251 10.719 1.00 0.00 C ATOM 1493 C LEU A 99 -16.591 0.949 9.421 1.00 0.00 C ATOM 1494 O LEU A 99 -16.278 0.297 8.425 1.00 0.00 O ATOM 1495 CB LEU A 99 -16.353 0.957 11.920 1.00 0.00 C ATOM 1496 CG LEU A 99 -17.344 1.519 12.942 1.00 0.00 C ATOM 1497 CD1 LEU A 99 -16.731 1.521 14.333 1.00 0.00 C ATOM 1498 CD2 LEU A 99 -17.779 2.922 12.548 1.00 0.00 C ATOM 0 H LEU A 99 -15.736 -1.342 10.187 1.00 0.00 H new ATOM 0 HA LEU A 99 -18.076 0.303 10.815 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -15.692 0.254 12.426 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -15.730 1.773 11.554 1.00 0.00 H new ATOM 0 HG LEU A 99 -18.225 0.878 12.956 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -17.450 1.924 15.047 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -16.470 0.502 14.617 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -15.833 2.139 14.334 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -18.483 3.305 13.286 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -16.907 3.575 12.505 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -18.259 2.893 11.570 1.00 0.00 H new ATOM 1510 N ARG A 100 -16.608 2.280 9.437 1.00 0.00 N ATOM 1511 CA ARG A 100 -16.251 3.067 8.262 1.00 0.00 C ATOM 1512 C ARG A 100 -14.889 2.653 7.711 1.00 0.00 C ATOM 1513 O ARG A 100 -14.805 1.917 6.727 1.00 0.00 O ATOM 1514 CB ARG A 100 -16.244 4.558 8.606 1.00 0.00 C ATOM 1515 CG ARG A 100 -17.588 5.237 8.401 1.00 0.00 C ATOM 1516 CD ARG A 100 -18.689 4.546 9.191 1.00 0.00 C ATOM 1517 NE ARG A 100 -20.020 4.954 8.746 1.00 0.00 N ATOM 1518 CZ ARG A 100 -21.129 4.260 8.991 1.00 0.00 C ATOM 1519 NH1 ARG A 100 -21.073 3.126 9.678 1.00 0.00 N ATOM 1520 NH2 ARG A 100 -22.298 4.703 8.549 1.00 0.00 N ATOM 0 H ARG A 100 -16.866 2.836 10.253 1.00 0.00 H new ATOM 0 HA ARG A 100 -17.000 2.879 7.493 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -15.939 4.681 9.645 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -15.496 5.060 7.993 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -17.520 6.281 8.707 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -17.841 5.232 7.341 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -18.587 3.466 9.087 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -18.574 4.776 10.250 1.00 0.00 H new ATOM 0 HE ARG A 100 -20.104 5.822 8.216 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -20.176 2.782 10.022 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -21.926 2.599 9.862 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -22.347 5.575 8.022 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -23.148 4.172 8.736 1.00 0.00 H new ATOM 1534 N ARG A 101 -13.823 3.130 8.348 1.00 0.00 N ATOM 1535 CA ARG A 101 -12.468 2.808 7.913 1.00 0.00 C ATOM 1536 C ARG A 101 -11.451 3.086 9.014 1.00 0.00 C ATOM 1537 O ARG A 101 -10.767 4.109 9.004 1.00 0.00 O ATOM 1538 CB ARG A 101 -12.120 3.598 6.656 1.00 0.00 C ATOM 1539 CG ARG A 101 -12.276 2.778 5.387 1.00 0.00 C ATOM 1540 CD ARG A 101 -13.393 3.318 4.513 1.00 0.00 C ATOM 1541 NE ARG A 101 -13.615 2.490 3.329 1.00 0.00 N ATOM 1542 CZ ARG A 101 -14.730 2.520 2.603 1.00 0.00 C ATOM 1543 NH1 ARG A 101 -15.723 3.338 2.931 1.00 0.00 N ATOM 1544 NH2 ARG A 101 -14.852 1.732 1.544 1.00 0.00 N ATOM 0 H ARG A 101 -13.871 3.739 9.165 1.00 0.00 H new ATOM 0 HA ARG A 101 -12.429 1.743 7.686 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -12.760 4.478 6.596 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -11.093 3.955 6.729 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -11.339 2.786 4.829 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -12.484 1.740 5.646 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -14.313 3.372 5.094 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -13.151 4.335 4.203 1.00 0.00 H new ATOM 0 HE ARG A 101 -12.872 1.852 3.043 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -15.634 3.948 3.743 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -16.575 3.356 2.370 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -14.092 1.103 1.286 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -15.706 1.755 0.987 1.00 0.00 H new ATOM 1558 N ASN A 102 -11.350 2.153 9.952 1.00 0.00 N ATOM 1559 CA ASN A 102 -10.406 2.270 11.063 1.00 0.00 C ATOM 1560 C ASN A 102 -9.170 1.415 10.795 1.00 0.00 C ATOM 1561 O ASN A 102 -8.531 0.910 11.717 1.00 0.00 O ATOM 1562 CB ASN A 102 -11.068 1.839 12.372 1.00 0.00 C ATOM 1563 CG ASN A 102 -12.284 2.678 12.711 1.00 0.00 C ATOM 1564 OD1 ASN A 102 -12.163 3.812 13.172 1.00 0.00 O ATOM 1565 ND2 ASN A 102 -13.468 2.121 12.483 1.00 0.00 N ATOM 0 H ASN A 102 -11.912 1.302 9.968 1.00 0.00 H new ATOM 0 HA ASN A 102 -10.102 3.313 11.152 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -11.362 0.792 12.299 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -10.343 1.911 13.183 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -14.323 2.637 12.691 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -13.522 1.177 12.099 1.00 0.00 H new ATOM 1572 N GLN A 103 -8.863 1.252 9.515 1.00 0.00 N ATOM 1573 CA GLN A 103 -7.729 0.453 9.072 1.00 0.00 C ATOM 1574 C GLN A 103 -6.393 1.089 9.433 1.00 0.00 C ATOM 1575 O GLN A 103 -6.339 2.147 10.056 1.00 0.00 O ATOM 1576 CB GLN A 103 -7.816 0.274 7.558 1.00 0.00 C ATOM 1577 CG GLN A 103 -9.045 -0.498 7.122 1.00 0.00 C ATOM 1578 CD GLN A 103 -8.745 -1.952 6.811 1.00 0.00 C ATOM 1579 OE1 GLN A 103 -7.712 -2.270 6.220 1.00 0.00 O ATOM 1580 NE2 GLN A 103 -9.647 -2.841 7.207 1.00 0.00 N ATOM 0 H GLN A 103 -9.395 1.672 8.753 1.00 0.00 H new ATOM 0 HA GLN A 103 -7.776 -0.509 9.582 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -7.822 1.254 7.082 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -6.924 -0.245 7.207 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -9.798 -0.447 7.908 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -9.473 -0.023 6.239 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -10.488 -2.532 7.694 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -9.499 -3.834 7.025 1.00 0.00 H new ATOM 1589 N TYR A 104 -5.314 0.433 9.010 1.00 0.00 N ATOM 1590 CA TYR A 104 -3.969 0.932 9.254 1.00 0.00 C ATOM 1591 C TYR A 104 -3.585 1.890 8.138 1.00 0.00 C ATOM 1592 O TYR A 104 -3.162 1.468 7.062 1.00 0.00 O ATOM 1593 CB TYR A 104 -2.972 -0.229 9.318 1.00 0.00 C ATOM 1594 CG TYR A 104 -1.707 0.088 10.086 1.00 0.00 C ATOM 1595 CD1 TYR A 104 -1.759 0.772 11.295 1.00 0.00 C ATOM 1596 CD2 TYR A 104 -0.463 -0.300 9.605 1.00 0.00 C ATOM 1597 CE1 TYR A 104 -0.607 1.058 12.003 1.00 0.00 C ATOM 1598 CE2 TYR A 104 0.693 -0.019 10.309 1.00 0.00 C ATOM 1599 CZ TYR A 104 0.615 0.660 11.506 1.00 0.00 C ATOM 1600 OH TYR A 104 1.764 0.944 12.208 1.00 0.00 O ATOM 0 H TYR A 104 -5.349 -0.447 8.496 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.946 1.455 10.210 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -3.459 -1.088 9.779 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.705 -0.521 8.303 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -2.715 1.085 11.687 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.398 -0.830 8.666 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.664 1.591 12.941 1.00 0.00 H new ATOM 0 HE2 TYR A 104 1.653 -0.330 9.923 1.00 0.00 H new ATOM 0 HH TYR A 104 2.302 1.591 11.706 1.00 0.00 H new ATOM 1610 N TRP A 105 -3.766 3.178 8.389 1.00 0.00 N ATOM 1611 CA TRP A 105 -3.469 4.193 7.391 1.00 0.00 C ATOM 1612 C TRP A 105 -2.155 4.907 7.691 1.00 0.00 C ATOM 1613 O TRP A 105 -1.851 5.218 8.843 1.00 0.00 O ATOM 1614 CB TRP A 105 -4.618 5.199 7.327 1.00 0.00 C ATOM 1615 CG TRP A 105 -5.975 4.553 7.316 1.00 0.00 C ATOM 1616 CD1 TRP A 105 -6.732 4.203 8.399 1.00 0.00 C ATOM 1617 CD2 TRP A 105 -6.728 4.163 6.166 1.00 0.00 C ATOM 1618 NE1 TRP A 105 -7.916 3.650 7.990 1.00 0.00 N ATOM 1619 CE2 TRP A 105 -7.935 3.608 6.627 1.00 0.00 C ATOM 1620 CE3 TRP A 105 -6.507 4.232 4.792 1.00 0.00 C ATOM 1621 CZ2 TRP A 105 -8.909 3.130 5.762 1.00 0.00 C ATOM 1622 CZ3 TRP A 105 -7.478 3.749 3.938 1.00 0.00 C ATOM 1623 CH2 TRP A 105 -8.667 3.205 4.432 1.00 0.00 C ATOM 0 H TRP A 105 -4.117 3.544 9.274 1.00 0.00 H new ATOM 0 HA TRP A 105 -3.360 3.701 6.424 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -4.551 5.872 8.182 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.507 5.810 6.431 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.439 4.343 9.429 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -8.662 3.323 8.604 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -5.593 4.655 4.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -9.831 2.711 6.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -7.316 3.792 2.871 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -9.408 2.837 3.738 1.00 0.00 H new ATOM 1634 N VAL A 106 -1.381 5.162 6.642 1.00 0.00 N ATOM 1635 CA VAL A 106 -0.097 5.840 6.779 1.00 0.00 C ATOM 1636 C VAL A 106 -0.265 7.354 6.708 1.00 0.00 C ATOM 1637 O VAL A 106 0.399 8.060 7.495 1.00 0.00 O ATOM 1638 CB VAL A 106 0.894 5.393 5.688 1.00 0.00 C ATOM 1639 CG1 VAL A 106 1.374 3.974 5.950 1.00 0.00 C ATOM 1640 CG2 VAL A 106 0.257 5.503 4.312 1.00 0.00 C ATOM 1641 OXT VAL A 106 -1.060 7.821 5.866 1.00 0.00 O ATOM 0 H VAL A 106 -1.622 4.908 5.684 1.00 0.00 H new ATOM 0 HA VAL A 106 0.302 5.566 7.756 1.00 0.00 H new ATOM 0 HB VAL A 106 1.760 6.054 5.716 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.073 3.676 5.169 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.872 3.931 6.918 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.521 3.296 5.951 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.972 5.183 3.554 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.627 4.867 4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.031 6.538 4.126 1.00 0.00 H new TER 1651 VAL A 106