USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1087 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 85 THR OG1 : rot -16:sc= -0.396 USER MOD Set 1.2: B 117 ASN : amide:sc= -9.52! C(o=-9.9!,f=-13!) USER MOD Set 2.1: A 33 LYS NZ :NH3+ 165:sc= -1.45 (180deg=-1.66!) USER MOD Set 2.2: B 101 HIS : no HD1:sc= -4.73! C(o=-6.2!,f=-5.2!) USER MOD Set 3.1: A 49 GLN : amide:sc= -8.44! C(o=-9.6!,f=-14!) USER MOD Set 3.2: A 50 MET CE :methyl -153:sc= -1.16 (180deg=-2.99!) USER MOD Single : A 1 MET CE :methyl -176:sc= -0.115 (180deg=-0.147) USER MOD Single : A 1 MET N :NH3+ -101:sc= 0.0291 (180deg=-0.00103) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 88:sc= 1.2 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= -1.26 (180deg=-2.26) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= -0.499 (180deg=-0.712) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -2.52! K(o=-2.5!,f=-0.0037) USER MOD Single : A 41 GLN : amide:sc= -0.0613 K(o=-0.061,f=-3.5!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -49:sc= 1.31 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 79:sc= 0.116 USER MOD Single : A 68 HIS : no HD1:sc=-0.00715 X(o=-0.0072,f=-0.31) USER MOD Single : B 81 LYS NZ :NH3+ -175:sc= 0.34 (180deg=0.32) USER MOD Single : B 82 THR OG1 : rot 180:sc= 0.0205 USER MOD Single : B 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 99 GLN : amide:sc= -0.412 K(o=-0.41,f=-1) USER MOD Single : B 102 LYS NZ :NH3+ -167:sc= -1.3! (180deg=-1.44) USER MOD Single : B 108 GLN : amide:sc= -2.73! C(o=-2.7!,f=-1.7!) USER MOD Single : B 112 TYR OH : rot 150:sc=-0.00622 USER MOD Single : B 113 CYS SG : rot -79:sc= -0.227 USER MOD Single : B 118 GLN : amide:sc= -7.78! C(o=-7.8!,f=-7.9!) USER MOD Single : B 120 SER OG : rot 80:sc= 0.361 USER MOD Single : B 125 SER OG : rot 85:sc= 0.461 USER MOD Single : B 127 ASN : amide:sc= -0.757 X(o=-0.76,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.975 4.797 14.125 1.00 0.00 N ATOM 2 CA MET A 1 -11.279 3.455 13.562 1.00 0.00 C ATOM 3 C MET A 1 -10.149 2.975 12.658 1.00 0.00 C ATOM 4 O MET A 1 -9.511 3.778 11.970 1.00 0.00 O ATOM 5 CB MET A 1 -12.591 3.491 12.774 1.00 0.00 C ATOM 6 CG MET A 1 -13.831 3.549 13.652 1.00 0.00 C ATOM 7 SD MET A 1 -15.354 3.685 12.697 1.00 0.00 S ATOM 8 CE MET A 1 -16.564 3.827 14.011 1.00 0.00 C ATOM 0 H1 MET A 1 -10.638 4.695 15.104 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.238 5.255 13.552 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.835 5.381 14.114 1.00 0.00 H new ATOM 0 HA MET A 1 -11.380 2.758 14.394 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.584 4.358 12.113 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.647 2.607 12.139 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.874 2.653 14.272 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.753 4.401 14.328 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.566 3.848 13.582 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.474 2.973 14.682 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.389 4.747 14.569 1.00 0.00 H new ATOM 20 N LEU A 2 -9.911 1.661 12.672 1.00 0.00 N ATOM 21 CA LEU A 2 -8.859 1.045 11.859 1.00 0.00 C ATOM 22 C LEU A 2 -9.405 -0.131 11.051 1.00 0.00 C ATOM 23 O LEU A 2 -10.173 -0.945 11.568 1.00 0.00 O ATOM 24 CB LEU A 2 -7.672 0.597 12.739 1.00 0.00 C ATOM 25 CG LEU A 2 -8.016 -0.229 13.992 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.988 -1.721 13.685 1.00 0.00 C ATOM 27 CD2 LEU A 2 -7.055 0.099 15.125 1.00 0.00 C ATOM 0 H LEU A 2 -10.437 0.999 13.242 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.498 1.798 11.158 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.992 0.011 12.121 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.128 1.487 13.056 1.00 0.00 H new ATOM 0 HG LEU A 2 -9.026 0.034 14.305 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.234 -2.283 14.586 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.717 -1.946 12.907 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -6.993 -2.003 13.342 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.312 -0.493 16.003 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.036 -0.133 14.816 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -7.128 1.159 15.368 1.00 0.00 H new ATOM 39 N ILE A 3 -8.999 -0.204 9.783 1.00 0.00 N ATOM 40 CA ILE A 3 -9.430 -1.277 8.881 1.00 0.00 C ATOM 41 C ILE A 3 -8.237 -1.869 8.131 1.00 0.00 C ATOM 42 O ILE A 3 -7.297 -1.148 7.786 1.00 0.00 O ATOM 43 CB ILE A 3 -10.517 -0.808 7.870 1.00 0.00 C ATOM 44 CG1 ILE A 3 -10.214 0.597 7.305 1.00 0.00 C ATOM 45 CG2 ILE A 3 -11.886 -0.830 8.543 1.00 0.00 C ATOM 46 CD1 ILE A 3 -10.626 0.781 5.858 1.00 0.00 C ATOM 0 H ILE A 3 -8.367 0.472 9.353 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.879 -2.048 9.508 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.514 -1.499 7.027 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.726 1.341 7.915 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.145 0.791 7.395 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.645 -0.501 7.834 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -12.113 -1.844 8.874 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.879 -0.161 9.403 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -10.380 1.793 5.536 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.095 0.062 5.234 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -11.700 0.621 5.762 1.00 0.00 H new ATOM 58 N LYS A 4 -8.289 -3.181 7.884 1.00 0.00 N ATOM 59 CA LYS A 4 -7.205 -3.882 7.188 1.00 0.00 C ATOM 60 C LYS A 4 -7.631 -4.330 5.792 1.00 0.00 C ATOM 61 O LYS A 4 -8.635 -5.032 5.638 1.00 0.00 O ATOM 62 CB LYS A 4 -6.742 -5.098 8.002 1.00 0.00 C ATOM 63 CG LYS A 4 -6.020 -4.740 9.300 1.00 0.00 C ATOM 64 CD LYS A 4 -5.682 -5.980 10.126 1.00 0.00 C ATOM 65 CE LYS A 4 -6.784 -6.316 11.125 1.00 0.00 C ATOM 66 NZ LYS A 4 -6.454 -7.526 11.930 1.00 0.00 N1+ ATOM 0 H LYS A 4 -9.069 -3.779 8.155 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.378 -3.180 7.083 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.609 -5.715 8.239 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.079 -5.704 7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.103 -4.198 9.068 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.645 -4.070 9.890 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.525 -6.828 9.460 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.746 -5.816 10.660 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.941 -5.468 11.792 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.720 -6.479 10.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.228 -7.721 12.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.329 -8.341 11.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.574 -7.361 12.459 1.00 0.00 H new ATOM 80 N VAL A 5 -6.861 -3.910 4.781 1.00 0.00 N ATOM 81 CA VAL A 5 -7.138 -4.275 3.385 1.00 0.00 C ATOM 82 C VAL A 5 -6.231 -5.437 2.955 1.00 0.00 C ATOM 83 O VAL A 5 -5.117 -5.585 3.467 1.00 0.00 O ATOM 84 CB VAL A 5 -6.947 -3.075 2.407 1.00 0.00 C ATOM 85 CG1 VAL A 5 -7.595 -3.353 1.054 1.00 0.00 C ATOM 86 CG2 VAL A 5 -7.504 -1.781 2.989 1.00 0.00 C ATOM 0 H VAL A 5 -6.040 -3.317 4.903 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.184 -4.578 3.335 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.873 -2.954 2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.444 -2.498 0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.141 -4.238 0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.663 -3.522 1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.353 -0.968 2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.570 -1.899 3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.988 -1.550 3.921 1.00 0.00 H new ATOM 96 N LYS A 6 -6.723 -6.248 2.011 1.00 0.00 N ATOM 97 CA LYS A 6 -5.978 -7.399 1.501 1.00 0.00 C ATOM 98 C LYS A 6 -5.613 -7.219 0.029 1.00 0.00 C ATOM 99 O LYS A 6 -6.486 -6.982 -0.818 1.00 0.00 O ATOM 100 CB LYS A 6 -6.792 -8.683 1.682 1.00 0.00 C ATOM 101 CG LYS A 6 -6.724 -9.257 3.088 1.00 0.00 C ATOM 102 CD LYS A 6 -7.635 -10.465 3.241 1.00 0.00 C ATOM 103 CE LYS A 6 -7.478 -11.108 4.610 1.00 0.00 C ATOM 104 NZ LYS A 6 -8.411 -12.254 4.795 1.00 0.00 N1+ ATOM 0 H LYS A 6 -7.641 -6.125 1.584 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.054 -7.475 2.074 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.833 -8.481 1.432 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.434 -9.432 0.976 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.697 -9.543 3.316 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.009 -8.491 3.809 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.672 -10.161 3.097 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.406 -11.196 2.466 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.451 -11.452 4.734 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.660 -10.363 5.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.273 -12.665 5.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.392 -11.921 4.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.221 -12.977 4.072 1.00 0.00 H new ATOM 118 N THR A 7 -4.308 -7.328 -0.255 1.00 0.00 N ATOM 119 CA THR A 7 -3.782 -7.197 -1.615 1.00 0.00 C ATOM 120 C THR A 7 -3.620 -8.575 -2.270 1.00 0.00 C ATOM 121 O THR A 7 -3.518 -9.593 -1.578 1.00 0.00 O ATOM 122 CB THR A 7 -2.419 -6.463 -1.630 1.00 0.00 C ATOM 123 OG1 THR A 7 -2.260 -5.669 -0.447 1.00 0.00 O ATOM 124 CG2 THR A 7 -2.305 -5.559 -2.847 1.00 0.00 C ATOM 0 H THR A 7 -3.593 -7.509 0.450 1.00 0.00 H new ATOM 0 HA THR A 7 -4.503 -6.607 -2.181 1.00 0.00 H new ATOM 0 HB THR A 7 -1.637 -7.222 -1.669 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.862 -6.215 0.263 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.339 -5.054 -2.836 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.391 -6.157 -3.754 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.103 -4.817 -2.825 1.00 0.00 H new ATOM 132 N LEU A 8 -3.569 -8.586 -3.612 1.00 0.00 N ATOM 133 CA LEU A 8 -3.435 -9.826 -4.398 1.00 0.00 C ATOM 134 C LEU A 8 -2.047 -10.481 -4.251 1.00 0.00 C ATOM 135 O LEU A 8 -1.844 -11.611 -4.708 1.00 0.00 O ATOM 136 CB LEU A 8 -3.723 -9.530 -5.880 1.00 0.00 C ATOM 137 CG LEU A 8 -4.184 -10.729 -6.725 1.00 0.00 C ATOM 138 CD1 LEU A 8 -5.693 -10.925 -6.616 1.00 0.00 C ATOM 139 CD2 LEU A 8 -3.775 -10.544 -8.177 1.00 0.00 C ATOM 0 H LEU A 8 -3.619 -7.741 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.162 -10.537 -4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.488 -8.756 -5.934 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.820 -9.118 -6.331 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.697 -11.624 -6.338 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.994 -11.779 -7.223 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.962 -11.106 -5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.203 -10.030 -6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.109 -11.402 -8.761 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.232 -9.636 -8.571 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.690 -10.461 -8.242 1.00 0.00 H new ATOM 151 N THR A 9 -1.107 -9.773 -3.608 1.00 0.00 N ATOM 152 CA THR A 9 0.252 -10.290 -3.398 1.00 0.00 C ATOM 153 C THR A 9 0.366 -11.046 -2.065 1.00 0.00 C ATOM 154 O THR A 9 1.346 -11.763 -1.840 1.00 0.00 O ATOM 155 CB THR A 9 1.311 -9.157 -3.432 1.00 0.00 C ATOM 156 OG1 THR A 9 0.854 -8.070 -4.249 1.00 0.00 O ATOM 157 CG2 THR A 9 2.643 -9.665 -3.981 1.00 0.00 C ATOM 0 H THR A 9 -1.264 -8.841 -3.225 1.00 0.00 H new ATOM 0 HA THR A 9 0.448 -10.980 -4.219 1.00 0.00 H new ATOM 0 HB THR A 9 1.457 -8.813 -2.408 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.531 -7.362 -4.260 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.366 -8.850 -3.993 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.015 -10.470 -3.347 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.500 -10.038 -4.995 1.00 0.00 H new ATOM 165 N GLY A 10 -0.638 -10.879 -1.190 1.00 0.00 N ATOM 166 CA GLY A 10 -0.636 -11.550 0.106 1.00 0.00 C ATOM 167 C GLY A 10 -0.115 -10.666 1.227 1.00 0.00 C ATOM 168 O GLY A 10 0.582 -11.145 2.126 1.00 0.00 O ATOM 0 H GLY A 10 -1.452 -10.289 -1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.650 -11.872 0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.023 -12.449 0.044 1.00 0.00 H new ATOM 172 N LYS A 11 -0.460 -9.376 1.165 1.00 0.00 N ATOM 173 CA LYS A 11 -0.042 -8.397 2.168 1.00 0.00 C ATOM 174 C LYS A 11 -1.229 -7.556 2.617 1.00 0.00 C ATOM 175 O LYS A 11 -1.957 -7.006 1.786 1.00 0.00 O ATOM 176 CB LYS A 11 1.057 -7.494 1.603 1.00 0.00 C ATOM 177 CG LYS A 11 2.417 -7.734 2.237 1.00 0.00 C ATOM 178 CD LYS A 11 3.547 -7.269 1.332 1.00 0.00 C ATOM 179 CE LYS A 11 4.905 -7.612 1.920 1.00 0.00 C ATOM 180 NZ LYS A 11 6.019 -7.205 1.020 1.00 0.00 N1+ ATOM 0 H LYS A 11 -1.035 -8.984 0.420 1.00 0.00 H new ATOM 0 HA LYS A 11 0.352 -8.934 3.031 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.132 -7.654 0.527 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.773 -6.452 1.751 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.473 -7.207 3.190 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.536 -8.796 2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.445 -7.735 0.352 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.475 -6.192 1.182 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.018 -7.117 2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.960 -8.685 2.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.885 -7.070 1.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.179 -7.946 0.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.772 -6.314 0.543 1.00 0.00 H new ATOM 194 N GLU A 12 -1.426 -7.474 3.935 1.00 0.00 N ATOM 195 CA GLU A 12 -2.520 -6.688 4.511 1.00 0.00 C ATOM 196 C GLU A 12 -2.060 -5.257 4.794 1.00 0.00 C ATOM 197 O GLU A 12 -1.151 -5.043 5.600 1.00 0.00 O ATOM 198 CB GLU A 12 -3.038 -7.343 5.802 1.00 0.00 C ATOM 199 CG GLU A 12 -3.864 -8.599 5.569 1.00 0.00 C ATOM 200 CD GLU A 12 -4.321 -9.244 6.863 1.00 0.00 C ATOM 201 OE1 GLU A 12 -3.582 -10.101 7.392 1.00 0.00 O ATOM 202 OE2 GLU A 12 -5.416 -8.891 7.349 1.00 0.00 O1- ATOM 0 H GLU A 12 -0.840 -7.944 4.625 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.334 -6.657 3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.188 -7.592 6.437 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.643 -6.619 6.348 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.736 -8.349 4.964 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.275 -9.316 4.998 1.00 0.00 H new ATOM 209 N ILE A 13 -2.724 -4.281 4.149 1.00 0.00 N ATOM 210 CA ILE A 13 -2.396 -2.854 4.310 1.00 0.00 C ATOM 211 C ILE A 13 -3.173 -2.305 5.523 1.00 0.00 C ATOM 212 O ILE A 13 -4.343 -2.652 5.718 1.00 0.00 O ATOM 213 CB ILE A 13 -2.811 -2.042 3.042 1.00 0.00 C ATOM 214 CG1 ILE A 13 -2.008 -2.515 1.812 1.00 0.00 C ATOM 215 CG2 ILE A 13 -2.640 -0.533 3.261 1.00 0.00 C ATOM 216 CD1 ILE A 13 -2.700 -2.249 0.481 1.00 0.00 C ATOM 0 H ILE A 13 -3.497 -4.457 3.507 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.320 -2.754 4.456 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.869 -2.227 2.856 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.038 -2.018 1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.818 -3.584 1.904 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.938 0.002 2.359 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.265 -0.213 4.095 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.596 -0.314 3.485 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.072 -2.610 -0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.658 -2.768 0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.865 -1.178 0.365 1.00 0.00 H new ATOM 228 N GLU A 14 -2.519 -1.455 6.320 1.00 0.00 N ATOM 229 CA GLU A 14 -3.147 -0.874 7.510 1.00 0.00 C ATOM 230 C GLU A 14 -3.495 0.601 7.300 1.00 0.00 C ATOM 231 O GLU A 14 -2.611 1.434 7.085 1.00 0.00 O ATOM 232 CB GLU A 14 -2.225 -1.033 8.724 1.00 0.00 C ATOM 233 CG GLU A 14 -2.232 -2.433 9.319 1.00 0.00 C ATOM 234 CD GLU A 14 -1.314 -2.562 10.518 1.00 0.00 C ATOM 235 OE1 GLU A 14 -0.126 -2.896 10.323 1.00 0.00 O ATOM 236 OE2 GLU A 14 -1.782 -2.326 11.652 1.00 0.00 O1- ATOM 0 H GLU A 14 -1.557 -1.154 6.163 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.077 -1.412 7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.207 -0.777 8.431 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.524 -0.320 9.492 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.248 -2.693 9.615 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.929 -3.150 8.556 1.00 0.00 H new ATOM 243 N ILE A 15 -4.796 0.909 7.365 1.00 0.00 N ATOM 244 CA ILE A 15 -5.287 2.285 7.188 1.00 0.00 C ATOM 245 C ILE A 15 -6.310 2.662 8.249 1.00 0.00 C ATOM 246 O ILE A 15 -6.918 1.790 8.879 1.00 0.00 O ATOM 247 CB ILE A 15 -5.925 2.548 5.797 1.00 0.00 C ATOM 248 CG1 ILE A 15 -6.446 1.260 5.131 1.00 0.00 C ATOM 249 CG2 ILE A 15 -4.927 3.264 4.909 1.00 0.00 C ATOM 250 CD1 ILE A 15 -7.636 1.485 4.215 1.00 0.00 C ATOM 0 H ILE A 15 -5.531 0.223 7.539 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.393 2.902 7.281 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.798 3.184 5.943 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.638 0.806 4.558 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.726 0.548 5.907 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.375 3.448 3.933 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.649 4.214 5.366 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.038 2.645 4.789 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.947 0.534 3.782 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.460 1.910 4.787 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.356 2.172 3.417 1.00 0.00 H new ATOM 262 N ASP A 16 -6.492 3.977 8.433 1.00 0.00 N ATOM 263 CA ASP A 16 -7.449 4.497 9.401 1.00 0.00 C ATOM 264 C ASP A 16 -8.296 5.613 8.788 1.00 0.00 C ATOM 265 O ASP A 16 -7.767 6.646 8.363 1.00 0.00 O ATOM 266 CB ASP A 16 -6.735 5.005 10.662 1.00 0.00 C ATOM 267 CG ASP A 16 -6.141 3.881 11.491 1.00 0.00 C ATOM 268 OD1 ASP A 16 -5.070 3.364 11.111 1.00 0.00 O1- ATOM 269 OD2 ASP A 16 -6.750 3.518 12.520 1.00 0.00 O ATOM 0 H ASP A 16 -5.984 4.697 7.919 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.110 3.678 9.685 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.943 5.696 10.373 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.441 5.568 11.273 1.00 0.00 H new ATOM 274 N ILE A 17 -9.616 5.385 8.739 1.00 0.00 N ATOM 275 CA ILE A 17 -10.568 6.359 8.179 1.00 0.00 C ATOM 276 C ILE A 17 -11.923 6.295 8.900 1.00 0.00 C ATOM 277 O ILE A 17 -12.208 5.328 9.614 1.00 0.00 O ATOM 278 CB ILE A 17 -10.777 6.176 6.639 1.00 0.00 C ATOM 279 CG1 ILE A 17 -10.952 4.696 6.237 1.00 0.00 C ATOM 280 CG2 ILE A 17 -9.613 6.793 5.876 1.00 0.00 C ATOM 281 CD1 ILE A 17 -12.393 4.226 6.244 1.00 0.00 C ATOM 0 H ILE A 17 -10.052 4.529 9.082 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.126 7.342 8.340 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.702 6.690 6.377 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.536 4.548 5.240 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.373 4.073 6.919 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.768 6.660 4.805 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.551 7.857 6.104 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.685 6.304 6.171 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.435 3.177 5.951 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -12.808 4.340 7.245 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.974 4.823 5.541 1.00 0.00 H new ATOM 293 N GLU A 18 -12.750 7.333 8.701 1.00 0.00 N ATOM 294 CA GLU A 18 -14.077 7.413 9.326 1.00 0.00 C ATOM 295 C GLU A 18 -15.167 6.843 8.393 1.00 0.00 C ATOM 296 O GLU A 18 -14.959 6.795 7.177 1.00 0.00 O ATOM 297 CB GLU A 18 -14.407 8.864 9.694 1.00 0.00 C ATOM 298 CG GLU A 18 -13.629 9.387 10.894 1.00 0.00 C ATOM 299 CD GLU A 18 -13.976 10.823 11.233 1.00 0.00 C ATOM 300 OE1 GLU A 18 -14.909 11.035 12.035 1.00 0.00 O1- ATOM 301 OE2 GLU A 18 -13.314 11.736 10.697 1.00 0.00 O ATOM 0 H GLU A 18 -12.520 8.131 8.109 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.056 6.811 10.235 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.203 9.502 8.834 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.474 8.942 9.903 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.832 8.754 11.758 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.561 9.314 10.690 1.00 0.00 H new ATOM 308 N PRO A 19 -16.356 6.407 8.936 1.00 0.00 N ATOM 309 CA PRO A 19 -17.450 5.838 8.113 1.00 0.00 C ATOM 310 C PRO A 19 -18.183 6.873 7.246 1.00 0.00 C ATOM 311 O PRO A 19 -18.876 6.504 6.293 1.00 0.00 O ATOM 312 CB PRO A 19 -18.428 5.248 9.147 1.00 0.00 C ATOM 313 CG PRO A 19 -17.703 5.272 10.451 1.00 0.00 C ATOM 314 CD PRO A 19 -16.738 6.416 10.366 1.00 0.00 C ATOM 0 HA PRO A 19 -17.049 5.115 7.403 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -19.345 5.836 9.198 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -18.716 4.232 8.878 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -18.397 5.408 11.281 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -17.179 4.332 10.624 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -17.200 7.359 10.657 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.876 6.269 11.017 1.00 0.00 H new ATOM 322 N THR A 20 -18.022 8.161 7.583 1.00 0.00 N ATOM 323 CA THR A 20 -18.673 9.257 6.846 1.00 0.00 C ATOM 324 C THR A 20 -17.826 9.746 5.666 1.00 0.00 C ATOM 325 O THR A 20 -18.261 10.614 4.901 1.00 0.00 O ATOM 326 CB THR A 20 -18.978 10.453 7.773 1.00 0.00 C ATOM 327 OG1 THR A 20 -17.800 10.830 8.498 1.00 0.00 O ATOM 328 CG2 THR A 20 -20.092 10.114 8.750 1.00 0.00 C ATOM 0 H THR A 20 -17.444 8.471 8.364 1.00 0.00 H new ATOM 0 HA THR A 20 -19.606 8.848 6.458 1.00 0.00 H new ATOM 0 HB THR A 20 -19.303 11.287 7.151 1.00 0.00 H new ATOM 0 HG1 THR A 20 -18.004 11.590 9.081 1.00 0.00 H new ATOM 0 HG21 THR A 20 -20.287 10.973 9.392 1.00 0.00 H new ATOM 0 HG22 THR A 20 -20.997 9.861 8.197 1.00 0.00 H new ATOM 0 HG23 THR A 20 -19.792 9.264 9.363 1.00 0.00 H new ATOM 336 N ASP A 21 -16.624 9.177 5.524 1.00 0.00 N ATOM 337 CA ASP A 21 -15.708 9.538 4.437 1.00 0.00 C ATOM 338 C ASP A 21 -16.058 8.792 3.151 1.00 0.00 C ATOM 339 O ASP A 21 -16.573 7.671 3.195 1.00 0.00 O ATOM 340 CB ASP A 21 -14.261 9.243 4.836 1.00 0.00 C ATOM 341 CG ASP A 21 -13.702 10.279 5.792 1.00 0.00 C ATOM 342 OD1 ASP A 21 -14.052 10.232 6.989 1.00 0.00 O1- ATOM 343 OD2 ASP A 21 -12.916 11.138 5.342 1.00 0.00 O ATOM 0 H ASP A 21 -16.261 8.460 6.153 1.00 0.00 H new ATOM 0 HA ASP A 21 -15.814 10.607 4.253 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.209 8.258 5.301 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.640 9.206 3.941 1.00 0.00 H new ATOM 348 N LYS A 22 -15.769 9.430 2.010 1.00 0.00 N ATOM 349 CA LYS A 22 -16.048 8.853 0.689 1.00 0.00 C ATOM 350 C LYS A 22 -14.939 7.899 0.254 1.00 0.00 C ATOM 351 O LYS A 22 -13.784 8.047 0.669 1.00 0.00 O ATOM 352 CB LYS A 22 -16.215 9.966 -0.354 1.00 0.00 C ATOM 353 CG LYS A 22 -17.533 10.728 -0.247 1.00 0.00 C ATOM 354 CD LYS A 22 -18.594 10.146 -1.173 1.00 0.00 C ATOM 355 CE LYS A 22 -19.928 10.866 -1.028 1.00 0.00 C ATOM 356 NZ LYS A 22 -19.903 12.227 -1.636 1.00 0.00 N1+ ATOM 0 H LYS A 22 -15.338 10.354 1.976 1.00 0.00 H new ATOM 0 HA LYS A 22 -16.976 8.286 0.764 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.391 10.672 -0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.140 9.530 -1.350 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.890 10.696 0.782 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.369 11.777 -0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.253 10.217 -2.206 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.727 9.087 -0.953 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -20.712 10.274 -1.500 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -20.182 10.947 0.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.832 12.679 -1.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.173 12.802 -1.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.687 12.150 -2.650 1.00 0.00 H new ATOM 370 N VAL A 23 -15.307 6.922 -0.596 1.00 0.00 N ATOM 371 CA VAL A 23 -14.361 5.915 -1.115 1.00 0.00 C ATOM 372 C VAL A 23 -13.154 6.591 -1.785 1.00 0.00 C ATOM 373 O VAL A 23 -12.012 6.220 -1.511 1.00 0.00 O ATOM 374 CB VAL A 23 -15.049 4.930 -2.115 1.00 0.00 C ATOM 375 CG1 VAL A 23 -14.098 3.818 -2.563 1.00 0.00 C ATOM 376 CG2 VAL A 23 -16.300 4.311 -1.500 1.00 0.00 C ATOM 0 H VAL A 23 -16.260 6.808 -0.940 1.00 0.00 H new ATOM 0 HA VAL A 23 -14.012 5.335 -0.261 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.331 5.516 -2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -14.615 3.155 -3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -13.232 4.257 -3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.769 3.248 -1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -16.759 3.630 -2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -16.028 3.761 -0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -17.008 5.099 -1.244 1.00 0.00 H new ATOM 386 N GLU A 24 -13.426 7.609 -2.623 1.00 0.00 N ATOM 387 CA GLU A 24 -12.371 8.363 -3.342 1.00 0.00 C ATOM 388 C GLU A 24 -11.297 8.926 -2.388 1.00 0.00 C ATOM 389 O GLU A 24 -10.124 9.042 -2.765 1.00 0.00 O ATOM 390 CB GLU A 24 -12.982 9.497 -4.196 1.00 0.00 C ATOM 391 CG GLU A 24 -13.946 10.428 -3.457 1.00 0.00 C ATOM 392 CD GLU A 24 -14.417 11.582 -4.320 1.00 0.00 C ATOM 393 OE1 GLU A 24 -15.449 11.426 -5.007 1.00 0.00 O1- ATOM 394 OE2 GLU A 24 -13.756 12.641 -4.309 1.00 0.00 O ATOM 0 H GLU A 24 -14.372 7.933 -2.822 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.877 7.653 -4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.170 10.096 -4.609 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.509 9.050 -5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.810 9.856 -3.118 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.455 10.821 -2.567 1.00 0.00 H new ATOM 401 N ARG A 25 -11.710 9.251 -1.150 1.00 0.00 N ATOM 402 CA ARG A 25 -10.796 9.782 -0.128 1.00 0.00 C ATOM 403 C ARG A 25 -9.913 8.666 0.440 1.00 0.00 C ATOM 404 O ARG A 25 -8.720 8.864 0.700 1.00 0.00 O ATOM 405 CB ARG A 25 -11.584 10.458 1.005 1.00 0.00 C ATOM 406 CG ARG A 25 -12.205 11.801 0.624 1.00 0.00 C ATOM 407 CD ARG A 25 -11.230 12.955 0.824 1.00 0.00 C ATOM 408 NE ARG A 25 -11.829 14.247 0.472 1.00 0.00 N ATOM 409 CZ ARG A 25 -11.201 15.428 0.556 1.00 0.00 C ATOM 410 NH1 ARG A 25 -9.941 15.510 0.981 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 -11.842 16.537 0.211 1.00 0.00 N ATOM 0 H ARG A 25 -12.675 9.154 -0.834 1.00 0.00 H new ATOM 0 HA ARG A 25 -10.156 10.527 -0.601 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.376 9.785 1.333 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.919 10.607 1.856 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -12.523 11.771 -0.418 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -13.098 11.972 1.225 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.904 12.978 1.864 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.342 12.789 0.215 1.00 0.00 H new ATOM 0 HE ARG A 25 -12.793 14.246 0.139 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.437 14.665 1.249 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.480 16.418 1.038 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -12.807 16.488 -0.116 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.370 17.439 0.273 1.00 0.00 H new ATOM 425 N ILE A 26 -10.516 7.481 0.611 1.00 0.00 N ATOM 426 CA ILE A 26 -9.804 6.301 1.120 1.00 0.00 C ATOM 427 C ILE A 26 -8.831 5.770 0.050 1.00 0.00 C ATOM 428 O ILE A 26 -7.755 5.269 0.380 1.00 0.00 O ATOM 429 CB ILE A 26 -10.788 5.167 1.566 1.00 0.00 C ATOM 430 CG1 ILE A 26 -11.874 5.729 2.512 1.00 0.00 C ATOM 431 CG2 ILE A 26 -10.022 4.027 2.255 1.00 0.00 C ATOM 432 CD1 ILE A 26 -13.127 4.873 2.621 1.00 0.00 C ATOM 0 H ILE A 26 -11.501 7.314 0.403 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.243 6.611 2.002 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.275 4.770 0.675 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.444 5.848 3.507 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -12.158 6.723 2.167 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.723 3.249 2.558 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.292 3.609 1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.507 4.414 3.135 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.832 5.345 3.305 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -13.587 4.774 1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.861 3.886 2.998 1.00 0.00 H new ATOM 444 N LYS A 27 -9.216 5.920 -1.231 1.00 0.00 N ATOM 445 CA LYS A 27 -8.396 5.463 -2.370 1.00 0.00 C ATOM 446 C LYS A 27 -7.159 6.342 -2.557 1.00 0.00 C ATOM 447 O LYS A 27 -6.078 5.829 -2.864 1.00 0.00 O ATOM 448 CB LYS A 27 -9.211 5.432 -3.672 1.00 0.00 C ATOM 449 CG LYS A 27 -10.586 4.789 -3.526 1.00 0.00 C ATOM 450 CD LYS A 27 -11.066 4.132 -4.816 1.00 0.00 C ATOM 451 CE LYS A 27 -11.194 2.622 -4.655 1.00 0.00 C ATOM 452 NZ LYS A 27 -9.870 1.955 -4.510 1.00 0.00 N1+ ATOM 0 H LYS A 27 -10.096 6.357 -1.505 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.071 4.449 -2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.335 6.452 -4.036 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.646 4.890 -4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.551 4.042 -2.733 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.307 5.547 -3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.030 4.552 -5.104 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.367 4.356 -5.622 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.807 2.403 -3.781 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.714 2.209 -5.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.011 0.949 -4.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.339 2.040 -5.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.335 2.409 -3.743 1.00 0.00 H new ATOM 466 N GLU A 28 -7.319 7.668 -2.373 1.00 0.00 N ATOM 467 CA GLU A 28 -6.190 8.608 -2.493 1.00 0.00 C ATOM 468 C GLU A 28 -5.188 8.389 -1.344 1.00 0.00 C ATOM 469 O GLU A 28 -3.969 8.482 -1.542 1.00 0.00 O ATOM 470 CB GLU A 28 -6.676 10.075 -2.554 1.00 0.00 C ATOM 471 CG GLU A 28 -7.413 10.573 -1.313 1.00 0.00 C ATOM 472 CD GLU A 28 -8.163 11.867 -1.561 1.00 0.00 C ATOM 473 OE1 GLU A 28 -7.566 12.947 -1.363 1.00 0.00 O1- ATOM 474 OE2 GLU A 28 -9.347 11.802 -1.953 1.00 0.00 O ATOM 0 H GLU A 28 -8.210 8.107 -2.143 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.677 8.407 -3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.813 10.719 -2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.334 10.186 -3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.115 9.808 -0.981 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.697 10.721 -0.505 1.00 0.00 H new ATOM 481 N ARG A 29 -5.726 8.075 -0.141 1.00 0.00 N ATOM 482 CA ARG A 29 -4.902 7.785 1.043 1.00 0.00 C ATOM 483 C ARG A 29 -4.049 6.530 0.786 1.00 0.00 C ATOM 484 O ARG A 29 -2.866 6.478 1.146 1.00 0.00 O ATOM 485 CB ARG A 29 -5.809 7.583 2.275 1.00 0.00 C ATOM 486 CG ARG A 29 -5.102 7.722 3.627 1.00 0.00 C ATOM 487 CD ARG A 29 -4.998 9.175 4.086 1.00 0.00 C ATOM 488 NE ARG A 29 -4.034 9.947 3.290 1.00 0.00 N ATOM 489 CZ ARG A 29 -3.840 11.270 3.399 1.00 0.00 C ATOM 490 NH1 ARG A 29 -4.534 11.998 4.272 1.00 0.00 N1+ ATOM 491 NH2 ARG A 29 -2.941 11.864 2.627 1.00 0.00 N ATOM 0 H ARG A 29 -6.730 8.018 0.029 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.236 8.626 1.237 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.623 8.307 2.231 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.260 6.592 2.217 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.643 7.145 4.377 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.102 7.294 3.556 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.979 9.645 4.019 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.703 9.201 5.135 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.472 9.441 2.606 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.227 11.551 4.872 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.373 13.003 4.340 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.403 11.316 1.956 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.788 12.869 2.704 1.00 0.00 H new ATOM 505 N VAL A 30 -4.672 5.534 0.129 1.00 0.00 N ATOM 506 CA VAL A 30 -4.002 4.279 -0.233 1.00 0.00 C ATOM 507 C VAL A 30 -2.948 4.554 -1.324 1.00 0.00 C ATOM 508 O VAL A 30 -1.842 4.011 -1.274 1.00 0.00 O ATOM 509 CB VAL A 30 -5.032 3.201 -0.711 1.00 0.00 C ATOM 510 CG1 VAL A 30 -4.351 1.910 -1.163 1.00 0.00 C ATOM 511 CG2 VAL A 30 -6.034 2.879 0.392 1.00 0.00 C ATOM 0 H VAL A 30 -5.648 5.579 -0.163 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.505 3.881 0.652 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.553 3.630 -1.567 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.107 1.194 -1.485 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.678 2.125 -1.993 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.782 1.489 -0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.739 2.128 0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.504 2.495 1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.576 3.784 0.666 1.00 0.00 H new ATOM 521 N GLU A 31 -3.305 5.440 -2.277 1.00 0.00 N ATOM 522 CA GLU A 31 -2.423 5.839 -3.393 1.00 0.00 C ATOM 523 C GLU A 31 -1.053 6.316 -2.884 1.00 0.00 C ATOM 524 O GLU A 31 -0.011 5.919 -3.412 1.00 0.00 O ATOM 525 CB GLU A 31 -3.103 6.959 -4.207 1.00 0.00 C ATOM 526 CG GLU A 31 -2.336 7.390 -5.456 1.00 0.00 C ATOM 527 CD GLU A 31 -2.676 8.801 -5.897 1.00 0.00 C ATOM 528 OE1 GLU A 31 -3.826 9.034 -6.323 1.00 0.00 O ATOM 529 OE2 GLU A 31 -1.789 9.676 -5.816 1.00 0.00 O1- ATOM 0 H GLU A 31 -4.215 5.900 -2.294 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.256 4.969 -4.028 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.096 6.623 -4.504 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.240 7.827 -3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.266 7.323 -5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.555 6.697 -6.269 1.00 0.00 H new ATOM 536 N GLU A 32 -1.083 7.170 -1.857 1.00 0.00 N ATOM 537 CA GLU A 32 0.132 7.722 -1.241 1.00 0.00 C ATOM 538 C GLU A 32 0.861 6.675 -0.397 1.00 0.00 C ATOM 539 O GLU A 32 2.080 6.752 -0.215 1.00 0.00 O ATOM 540 CB GLU A 32 -0.211 8.935 -0.371 1.00 0.00 C ATOM 541 CG GLU A 32 -0.706 10.132 -1.165 1.00 0.00 C ATOM 542 CD GLU A 32 -0.588 11.434 -0.397 1.00 0.00 C ATOM 543 OE1 GLU A 32 0.514 12.022 -0.389 1.00 0.00 O1- ATOM 544 OE2 GLU A 32 -1.597 11.866 0.197 1.00 0.00 O ATOM 0 H GLU A 32 -1.948 7.499 -1.428 1.00 0.00 H new ATOM 0 HA GLU A 32 0.794 8.031 -2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.974 8.649 0.352 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.673 9.226 0.197 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.137 10.209 -2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.748 9.972 -1.443 1.00 0.00 H new ATOM 551 N LYS A 33 0.095 5.700 0.111 1.00 0.00 N ATOM 552 CA LYS A 33 0.631 4.634 0.968 1.00 0.00 C ATOM 553 C LYS A 33 1.513 3.623 0.211 1.00 0.00 C ATOM 554 O LYS A 33 2.603 3.287 0.683 1.00 0.00 O ATOM 555 CB LYS A 33 -0.525 3.894 1.643 1.00 0.00 C ATOM 556 CG LYS A 33 -0.352 3.685 3.139 1.00 0.00 C ATOM 557 CD LYS A 33 -0.570 2.229 3.505 1.00 0.00 C ATOM 558 CE LYS A 33 -0.524 2.013 5.008 1.00 0.00 C ATOM 559 NZ LYS A 33 -0.067 0.638 5.358 1.00 0.00 N1+ ATOM 0 H LYS A 33 -0.908 5.628 -0.059 1.00 0.00 H new ATOM 0 HA LYS A 33 1.270 5.117 1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.446 4.451 1.471 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.646 2.922 1.165 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.648 3.996 3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.059 4.312 3.683 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.534 1.898 3.119 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.193 1.615 3.026 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.146 2.744 5.460 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.514 2.185 5.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.194 0.605 6.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.835 -0.040 5.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.759 0.388 4.778 1.00 0.00 H new ATOM 573 N GLU A 34 1.045 3.144 -0.953 1.00 0.00 N ATOM 574 CA GLU A 34 1.796 2.150 -1.736 1.00 0.00 C ATOM 575 C GLU A 34 2.311 2.706 -3.076 1.00 0.00 C ATOM 576 O GLU A 34 3.120 2.049 -3.740 1.00 0.00 O ATOM 577 CB GLU A 34 0.928 0.903 -1.964 1.00 0.00 C ATOM 578 CG GLU A 34 1.720 -0.395 -2.125 1.00 0.00 C ATOM 579 CD GLU A 34 0.922 -1.617 -1.715 1.00 0.00 C ATOM 580 OE1 GLU A 34 0.225 -2.188 -2.581 1.00 0.00 O ATOM 581 OE2 GLU A 34 0.993 -2.002 -0.530 1.00 0.00 O1- ATOM 0 H GLU A 34 0.158 3.426 -1.370 1.00 0.00 H new ATOM 0 HA GLU A 34 2.679 1.882 -1.156 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.242 0.794 -1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.320 1.056 -2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.031 -0.500 -3.164 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.628 -0.340 -1.524 1.00 0.00 H new ATOM 588 N GLY A 35 1.831 3.893 -3.481 1.00 0.00 N ATOM 589 CA GLY A 35 2.284 4.512 -4.729 1.00 0.00 C ATOM 590 C GLY A 35 1.598 3.968 -5.975 1.00 0.00 C ATOM 591 O GLY A 35 2.254 3.762 -7.001 1.00 0.00 O ATOM 0 H GLY A 35 1.137 4.435 -2.966 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.113 5.587 -4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.360 4.365 -4.826 1.00 0.00 H new ATOM 595 N ILE A 36 0.283 3.738 -5.886 1.00 0.00 N ATOM 596 CA ILE A 36 -0.494 3.222 -7.020 1.00 0.00 C ATOM 597 C ILE A 36 -1.740 4.103 -7.244 1.00 0.00 C ATOM 598 O ILE A 36 -2.419 4.445 -6.273 1.00 0.00 O ATOM 599 CB ILE A 36 -0.947 1.737 -6.815 1.00 0.00 C ATOM 600 CG1 ILE A 36 0.202 0.871 -6.265 1.00 0.00 C ATOM 601 CG2 ILE A 36 -1.466 1.136 -8.130 1.00 0.00 C ATOM 602 CD1 ILE A 36 -0.264 -0.382 -5.547 1.00 0.00 C ATOM 0 H ILE A 36 -0.265 3.901 -5.042 1.00 0.00 H new ATOM 0 HA ILE A 36 0.159 3.251 -7.892 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.756 1.743 -6.084 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.855 0.584 -7.089 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.800 1.471 -5.579 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.775 0.104 -7.962 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.318 1.716 -8.484 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.674 1.160 -8.879 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.602 -0.939 -5.189 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.892 -0.104 -4.701 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.836 -1.004 -6.235 1.00 0.00 H new ATOM 614 N PRO A 37 -2.069 4.484 -8.525 1.00 0.00 N ATOM 615 CA PRO A 37 -3.257 5.317 -8.837 1.00 0.00 C ATOM 616 C PRO A 37 -4.576 4.697 -8.332 1.00 0.00 C ATOM 617 O PRO A 37 -4.717 3.471 -8.345 1.00 0.00 O ATOM 618 CB PRO A 37 -3.261 5.385 -10.374 1.00 0.00 C ATOM 619 CG PRO A 37 -2.369 4.277 -10.819 1.00 0.00 C ATOM 620 CD PRO A 37 -1.317 4.168 -9.764 1.00 0.00 C ATOM 0 HA PRO A 37 -3.196 6.290 -8.349 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.269 5.262 -10.771 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.896 6.350 -10.726 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.922 3.343 -10.920 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.929 4.494 -11.792 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.879 3.170 -9.729 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.500 4.869 -9.932 1.00 0.00 H new ATOM 628 N PRO A 38 -5.563 5.531 -7.877 1.00 0.00 N ATOM 629 CA PRO A 38 -6.857 5.027 -7.373 1.00 0.00 C ATOM 630 C PRO A 38 -7.727 4.385 -8.463 1.00 0.00 C ATOM 631 O PRO A 38 -8.495 3.460 -8.184 1.00 0.00 O ATOM 632 CB PRO A 38 -7.542 6.274 -6.796 1.00 0.00 C ATOM 633 CG PRO A 38 -6.885 7.442 -7.451 1.00 0.00 C ATOM 634 CD PRO A 38 -5.488 7.011 -7.808 1.00 0.00 C ATOM 0 HA PRO A 38 -6.709 4.232 -6.643 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.612 6.262 -7.002 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.426 6.317 -5.713 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.435 7.746 -8.341 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.865 8.301 -6.780 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.172 7.437 -8.760 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.768 7.338 -7.058 1.00 0.00 H new ATOM 642 N GLN A 39 -7.576 4.868 -9.708 1.00 0.00 N ATOM 643 CA GLN A 39 -8.338 4.356 -10.864 1.00 0.00 C ATOM 644 C GLN A 39 -8.085 2.861 -11.107 1.00 0.00 C ATOM 645 O GLN A 39 -8.958 2.156 -11.620 1.00 0.00 O ATOM 646 CB GLN A 39 -7.987 5.149 -12.128 1.00 0.00 C ATOM 647 CG GLN A 39 -8.569 6.555 -12.154 1.00 0.00 C ATOM 648 CD GLN A 39 -8.204 7.315 -13.413 1.00 0.00 C ATOM 649 OE1 GLN A 39 -8.918 7.262 -14.414 1.00 0.00 O ATOM 650 NE2 GLN A 39 -7.082 8.025 -13.371 1.00 0.00 N ATOM 0 H GLN A 39 -6.927 5.619 -9.942 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.395 4.483 -10.632 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.902 5.213 -12.215 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.345 4.602 -13.000 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.654 6.496 -12.072 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.213 7.108 -11.285 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.520 8.041 -12.520 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.782 8.554 -14.190 1.00 0.00 H new ATOM 659 N GLN A 40 -6.886 2.397 -10.731 1.00 0.00 N ATOM 660 CA GLN A 40 -6.506 0.988 -10.885 1.00 0.00 C ATOM 661 C GLN A 40 -6.762 0.199 -9.594 1.00 0.00 C ATOM 662 O GLN A 40 -6.619 -1.030 -9.575 1.00 0.00 O ATOM 663 CB GLN A 40 -5.028 0.867 -11.285 1.00 0.00 C ATOM 664 CG GLN A 40 -4.733 1.331 -12.705 1.00 0.00 C ATOM 665 CD GLN A 40 -3.332 0.971 -13.160 1.00 0.00 C ATOM 666 OE1 GLN A 40 -3.103 -0.110 -13.703 1.00 0.00 O ATOM 667 NE2 GLN A 40 -2.387 1.878 -12.944 1.00 0.00 N ATOM 0 H GLN A 40 -6.160 2.981 -10.316 1.00 0.00 H new ATOM 0 HA GLN A 40 -7.125 0.564 -11.676 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.425 1.451 -10.590 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.718 -0.173 -11.181 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -5.458 0.885 -13.386 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.863 2.412 -12.764 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.622 2.761 -12.490 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.426 1.692 -13.232 1.00 0.00 H new ATOM 676 N GLN A 41 -7.152 0.911 -8.526 1.00 0.00 N ATOM 677 CA GLN A 41 -7.423 0.288 -7.229 1.00 0.00 C ATOM 678 C GLN A 41 -8.914 0.296 -6.920 1.00 0.00 C ATOM 679 O GLN A 41 -9.604 1.280 -7.198 1.00 0.00 O ATOM 680 CB GLN A 41 -6.691 1.022 -6.099 1.00 0.00 C ATOM 681 CG GLN A 41 -5.173 0.949 -6.164 1.00 0.00 C ATOM 682 CD GLN A 41 -4.522 1.472 -4.897 1.00 0.00 C ATOM 683 OE1 GLN A 41 -4.204 0.706 -3.988 1.00 0.00 O ATOM 684 NE2 GLN A 41 -4.338 2.786 -4.824 1.00 0.00 N ATOM 0 H GLN A 41 -7.286 1.922 -8.539 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.065 -0.740 -7.290 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.990 2.070 -6.113 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.019 0.609 -5.145 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.867 -0.084 -6.329 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.819 1.526 -7.018 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.617 3.384 -5.602 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.918 3.197 -3.990 1.00 0.00 H new ATOM 693 N ARG A 42 -9.400 -0.808 -6.346 1.00 0.00 N ATOM 694 CA ARG A 42 -10.804 -0.928 -5.959 1.00 0.00 C ATOM 695 C ARG A 42 -10.932 -1.543 -4.574 1.00 0.00 C ATOM 696 O ARG A 42 -10.307 -2.563 -4.283 1.00 0.00 O ATOM 697 CB ARG A 42 -11.591 -1.762 -6.972 1.00 0.00 C ATOM 698 CG ARG A 42 -12.039 -0.975 -8.190 1.00 0.00 C ATOM 699 CD ARG A 42 -13.159 -1.690 -8.923 1.00 0.00 C ATOM 700 NE ARG A 42 -13.595 -0.956 -10.117 1.00 0.00 N ATOM 701 CZ ARG A 42 -14.610 -1.325 -10.913 1.00 0.00 C ATOM 702 NH1 ARG A 42 -15.318 -2.424 -10.661 1.00 0.00 N1+ ATOM 703 NH2 ARG A 42 -14.915 -0.583 -11.969 1.00 0.00 N ATOM 0 H ARG A 42 -8.837 -1.633 -6.139 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.224 0.078 -5.940 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.974 -2.600 -7.298 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.467 -2.184 -6.480 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.376 0.015 -7.883 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.194 -0.830 -8.864 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.824 -2.686 -9.213 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.006 -1.822 -8.250 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.090 -0.104 -10.359 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.092 -3.002 -9.851 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.086 -2.688 -11.278 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.379 0.261 -12.171 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.685 -0.857 -12.579 1.00 0.00 H new ATOM 717 N LEU A 43 -11.750 -0.910 -3.727 1.00 0.00 N ATOM 718 CA LEU A 43 -11.986 -1.387 -2.361 1.00 0.00 C ATOM 719 C LEU A 43 -13.213 -2.297 -2.358 1.00 0.00 C ATOM 720 O LEU A 43 -14.342 -1.859 -2.618 1.00 0.00 O ATOM 721 CB LEU A 43 -12.153 -0.198 -1.404 1.00 0.00 C ATOM 722 CG LEU A 43 -11.786 -0.455 0.066 1.00 0.00 C ATOM 723 CD1 LEU A 43 -10.273 -0.480 0.263 1.00 0.00 C ATOM 724 CD2 LEU A 43 -12.416 0.604 0.956 1.00 0.00 C ATOM 0 H LEU A 43 -12.262 -0.061 -3.966 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.129 -1.962 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.541 0.626 -1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.191 0.132 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.176 -1.434 0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.046 -0.664 1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.840 -1.273 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.851 0.479 -0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.149 0.412 1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.051 1.589 0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -13.500 0.572 0.848 1.00 0.00 H new ATOM 736 N ILE A 44 -12.985 -3.578 -2.090 1.00 0.00 N ATOM 737 CA ILE A 44 -14.059 -4.545 -2.145 1.00 0.00 C ATOM 738 C ILE A 44 -14.190 -5.468 -0.935 1.00 0.00 C ATOM 739 O ILE A 44 -13.212 -5.782 -0.268 1.00 0.00 O ATOM 740 CB ILE A 44 -13.885 -5.354 -3.447 1.00 0.00 C ATOM 741 CG1 ILE A 44 -14.535 -4.542 -4.588 1.00 0.00 C ATOM 742 CG2 ILE A 44 -14.425 -6.778 -3.334 1.00 0.00 C ATOM 743 CD1 ILE A 44 -14.797 -5.288 -5.866 1.00 0.00 C ATOM 0 H ILE A 44 -12.075 -3.961 -1.836 1.00 0.00 H new ATOM 0 HA ILE A 44 -14.994 -3.986 -2.128 1.00 0.00 H new ATOM 0 HB ILE A 44 -12.825 -5.495 -3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -15.481 -4.139 -4.226 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -13.892 -3.692 -4.813 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -14.276 -7.300 -4.279 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -13.896 -7.306 -2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -15.489 -6.746 -3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -15.254 -4.616 -6.592 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -13.856 -5.668 -6.265 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.471 -6.122 -5.669 1.00 0.00 H new ATOM 755 N TYR A 45 -15.445 -5.895 -0.685 1.00 0.00 N ATOM 756 CA TYR A 45 -15.745 -6.843 0.393 1.00 0.00 C ATOM 757 C TYR A 45 -16.269 -8.139 -0.224 1.00 0.00 C ATOM 758 O TYR A 45 -17.136 -8.095 -1.099 1.00 0.00 O ATOM 759 CB TYR A 45 -16.782 -6.275 1.379 1.00 0.00 C ATOM 760 CG TYR A 45 -16.660 -6.795 2.807 1.00 0.00 C ATOM 761 CD1 TYR A 45 -16.831 -8.146 3.106 1.00 0.00 C ATOM 762 CD2 TYR A 45 -16.381 -5.927 3.861 1.00 0.00 C ATOM 763 CE1 TYR A 45 -16.727 -8.611 4.403 1.00 0.00 C ATOM 764 CE2 TYR A 45 -16.277 -6.388 5.161 1.00 0.00 C ATOM 765 CZ TYR A 45 -16.450 -7.728 5.425 1.00 0.00 C ATOM 766 OH TYR A 45 -16.347 -8.190 6.718 1.00 0.00 O ATOM 0 H TYR A 45 -16.262 -5.595 -1.218 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.830 -7.031 0.955 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -16.691 -5.189 1.394 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -17.780 -6.506 1.007 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -17.049 -8.842 2.309 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.243 -4.875 3.659 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -16.862 -9.661 4.615 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -16.061 -5.700 5.965 1.00 0.00 H new ATOM 0 HH TYR A 45 -16.147 -7.441 7.318 1.00 0.00 H new ATOM 776 N SER A 46 -15.721 -9.294 0.224 1.00 0.00 N ATOM 777 CA SER A 46 -16.111 -10.646 -0.272 1.00 0.00 C ATOM 778 C SER A 46 -15.528 -10.939 -1.662 1.00 0.00 C ATOM 779 O SER A 46 -14.901 -11.981 -1.877 1.00 0.00 O ATOM 780 CB SER A 46 -17.643 -10.820 -0.322 1.00 0.00 C ATOM 781 OG SER A 46 -18.005 -12.186 -0.451 1.00 0.00 O ATOM 0 H SER A 46 -14.995 -9.320 0.940 1.00 0.00 H new ATOM 0 HA SER A 46 -15.696 -11.357 0.442 1.00 0.00 H new ATOM 0 HB2 SER A 46 -18.087 -10.408 0.584 1.00 0.00 H new ATOM 0 HB3 SER A 46 -18.048 -10.254 -1.161 1.00 0.00 H new ATOM 0 HG SER A 46 -18.981 -12.264 -0.478 1.00 0.00 H new ATOM 787 N GLY A 47 -15.750 -10.002 -2.584 1.00 0.00 N ATOM 788 CA GLY A 47 -15.291 -10.126 -3.962 1.00 0.00 C ATOM 789 C GLY A 47 -15.950 -9.085 -4.850 1.00 0.00 C ATOM 790 O GLY A 47 -15.663 -8.993 -6.047 1.00 0.00 O ATOM 0 H GLY A 47 -16.254 -9.136 -2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.208 -10.009 -4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.517 -11.124 -4.336 1.00 0.00 H new ATOM 794 N LYS A 48 -16.845 -8.303 -4.226 1.00 0.00 N ATOM 795 CA LYS A 48 -17.585 -7.225 -4.882 1.00 0.00 C ATOM 796 C LYS A 48 -17.759 -6.058 -3.930 1.00 0.00 C ATOM 797 O LYS A 48 -17.991 -6.303 -2.740 1.00 0.00 O ATOM 798 CB LYS A 48 -18.980 -7.692 -5.234 1.00 0.00 C ATOM 799 CG LYS A 48 -19.047 -8.694 -6.378 1.00 0.00 C ATOM 800 CD LYS A 48 -20.480 -9.103 -6.679 1.00 0.00 C ATOM 801 CE LYS A 48 -20.546 -10.098 -7.827 1.00 0.00 C ATOM 802 NZ LYS A 48 -21.945 -10.504 -8.132 1.00 0.00 N1+ ATOM 0 H LYS A 48 -17.075 -8.407 -3.238 1.00 0.00 H new ATOM 0 HA LYS A 48 -17.025 -6.934 -5.771 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -19.432 -8.141 -4.349 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -19.584 -6.823 -5.495 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -18.597 -8.259 -7.270 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -18.461 -9.577 -6.124 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -20.929 -9.543 -5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -21.067 -8.219 -6.928 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -20.094 -9.657 -8.716 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -19.959 -10.981 -7.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -21.946 -11.183 -8.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -22.368 -10.948 -7.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -22.500 -9.665 -8.397 1.00 0.00 H new ATOM 816 N GLN A 49 -17.665 -4.786 -4.407 1.00 0.00 N ATOM 817 CA GLN A 49 -17.904 -3.658 -3.491 1.00 0.00 C ATOM 818 C GLN A 49 -17.824 -2.226 -4.052 1.00 0.00 C ATOM 819 O GLN A 49 -18.301 -1.910 -5.144 1.00 0.00 O ATOM 820 CB GLN A 49 -17.031 -3.752 -2.243 1.00 0.00 C ATOM 821 CG GLN A 49 -17.810 -3.875 -0.945 1.00 0.00 C ATOM 822 CD GLN A 49 -17.315 -2.921 0.123 1.00 0.00 C ATOM 823 OE1 GLN A 49 -17.919 -1.881 0.355 1.00 0.00 O ATOM 824 NE2 GLN A 49 -16.200 -3.257 0.761 1.00 0.00 N ATOM 0 H GLN A 49 -17.438 -4.533 -5.369 1.00 0.00 H new ATOM 0 HA GLN A 49 -18.961 -3.795 -3.265 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -16.370 -4.613 -2.340 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.396 -2.868 -2.190 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -18.865 -3.682 -1.139 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.736 -4.898 -0.576 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -15.728 -4.133 0.537 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -15.815 -2.639 1.475 1.00 0.00 H new ATOM 833 N MET A 50 -17.184 -1.399 -3.215 1.00 0.00 N ATOM 834 CA MET A 50 -17.021 0.056 -3.318 1.00 0.00 C ATOM 835 C MET A 50 -16.928 0.693 -4.700 1.00 0.00 C ATOM 836 O MET A 50 -16.349 0.150 -5.645 1.00 0.00 O ATOM 837 CB MET A 50 -15.815 0.452 -2.480 1.00 0.00 C ATOM 838 CG MET A 50 -15.988 0.057 -1.024 1.00 0.00 C ATOM 839 SD MET A 50 -17.431 0.865 -0.313 1.00 0.00 S ATOM 840 CE MET A 50 -17.024 0.760 1.408 1.00 0.00 C ATOM 0 H MET A 50 -16.729 -1.762 -2.378 1.00 0.00 H new ATOM 0 HA MET A 50 -17.968 0.455 -2.954 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.921 -0.024 -2.882 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.662 1.529 -2.549 1.00 0.00 H new ATOM 0 HG2 MET A 50 -16.095 -1.025 -0.946 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.097 0.331 -0.459 1.00 0.00 H new ATOM 0 HE1 MET A 50 -17.940 0.753 1.999 1.00 0.00 H new ATOM 0 HE2 MET A 50 -16.465 -0.157 1.594 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.416 1.619 1.691 1.00 0.00 H new ATOM 850 N ASN A 51 -17.540 1.881 -4.748 1.00 0.00 N ATOM 851 CA ASN A 51 -17.574 2.759 -5.911 1.00 0.00 C ATOM 852 C ASN A 51 -17.270 4.183 -5.436 1.00 0.00 C ATOM 853 O ASN A 51 -17.554 4.522 -4.283 1.00 0.00 O ATOM 854 CB ASN A 51 -18.946 2.706 -6.592 1.00 0.00 C ATOM 855 CG ASN A 51 -19.172 1.411 -7.348 1.00 0.00 C ATOM 856 OD1 ASN A 51 -19.681 0.436 -6.795 1.00 0.00 O ATOM 857 ND2 ASN A 51 -18.791 1.395 -8.620 1.00 0.00 N ATOM 0 H ASN A 51 -18.041 2.266 -3.948 1.00 0.00 H new ATOM 0 HA ASN A 51 -16.832 2.437 -6.642 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -19.726 2.824 -5.840 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -19.038 3.546 -7.281 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -18.916 0.551 -9.179 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -18.373 2.227 -9.038 1.00 0.00 H new ATOM 864 N ASP A 52 -16.718 5.025 -6.321 1.00 0.00 N ATOM 865 CA ASP A 52 -16.358 6.418 -5.963 1.00 0.00 C ATOM 866 C ASP A 52 -17.581 7.291 -5.615 1.00 0.00 C ATOM 867 O ASP A 52 -17.421 8.416 -5.130 1.00 0.00 O ATOM 868 CB ASP A 52 -15.560 7.071 -7.097 1.00 0.00 C ATOM 869 CG ASP A 52 -14.195 6.437 -7.296 1.00 0.00 C ATOM 870 OD1 ASP A 52 -13.227 6.897 -6.656 1.00 0.00 O ATOM 871 OD2 ASP A 52 -14.096 5.478 -8.091 1.00 0.00 O1- ATOM 0 H ASP A 52 -16.509 4.774 -7.287 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.745 6.356 -5.064 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.128 6.998 -8.024 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.435 8.132 -6.883 1.00 0.00 H new ATOM 876 N GLU A 53 -18.786 6.765 -5.859 1.00 0.00 N ATOM 877 CA GLU A 53 -20.028 7.486 -5.562 1.00 0.00 C ATOM 878 C GLU A 53 -20.639 7.029 -4.230 1.00 0.00 C ATOM 879 O GLU A 53 -21.613 7.624 -3.753 1.00 0.00 O ATOM 880 CB GLU A 53 -21.043 7.288 -6.700 1.00 0.00 C ATOM 881 CG GLU A 53 -20.701 8.039 -7.984 1.00 0.00 C ATOM 882 CD GLU A 53 -21.069 9.512 -7.926 1.00 0.00 C ATOM 883 OE1 GLU A 53 -20.217 10.320 -7.501 1.00 0.00 O ATOM 884 OE2 GLU A 53 -22.208 9.855 -8.306 1.00 0.00 O1- ATOM 0 H GLU A 53 -18.927 5.839 -6.263 1.00 0.00 H new ATOM 0 HA GLU A 53 -19.784 8.545 -5.476 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.117 6.224 -6.924 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.025 7.610 -6.355 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -19.633 7.944 -8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -21.221 7.573 -8.821 1.00 0.00 H new ATOM 891 N LYS A 54 -20.057 5.979 -3.633 1.00 0.00 N ATOM 892 CA LYS A 54 -20.542 5.429 -2.360 1.00 0.00 C ATOM 893 C LYS A 54 -19.605 5.802 -1.201 1.00 0.00 C ATOM 894 O LYS A 54 -18.531 6.369 -1.423 1.00 0.00 O ATOM 895 CB LYS A 54 -20.671 3.895 -2.467 1.00 0.00 C ATOM 896 CG LYS A 54 -21.707 3.414 -3.483 1.00 0.00 C ATOM 897 CD LYS A 54 -23.109 3.359 -2.888 1.00 0.00 C ATOM 898 CE LYS A 54 -24.131 2.896 -3.914 1.00 0.00 C ATOM 899 NZ LYS A 54 -25.507 2.851 -3.345 1.00 0.00 N1+ ATOM 0 H LYS A 54 -19.246 5.492 -4.014 1.00 0.00 H new ATOM 0 HA LYS A 54 -21.521 5.860 -2.152 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -19.699 3.479 -2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -20.930 3.496 -1.486 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -21.705 4.081 -4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -21.428 2.424 -3.844 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -23.117 2.682 -2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -23.386 4.345 -2.516 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -24.115 3.568 -4.772 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -23.856 1.906 -4.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -26.174 2.531 -4.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -25.529 2.190 -2.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -25.779 3.801 -3.020 1.00 0.00 H new ATOM 913 N THR A 55 -20.031 5.489 0.034 1.00 0.00 N ATOM 914 CA THR A 55 -19.236 5.771 1.234 1.00 0.00 C ATOM 915 C THR A 55 -19.082 4.500 2.080 1.00 0.00 C ATOM 916 O THR A 55 -19.821 3.527 1.892 1.00 0.00 O ATOM 917 CB THR A 55 -19.866 6.881 2.119 1.00 0.00 C ATOM 918 OG1 THR A 55 -21.165 6.483 2.579 1.00 0.00 O ATOM 919 CG2 THR A 55 -19.985 8.211 1.384 1.00 0.00 C ATOM 0 H THR A 55 -20.926 5.039 0.225 1.00 0.00 H new ATOM 0 HA THR A 55 -18.264 6.122 0.886 1.00 0.00 H new ATOM 0 HB THR A 55 -19.196 7.020 2.967 1.00 0.00 H new ATOM 0 HG1 THR A 55 -21.693 6.152 1.822 1.00 0.00 H new ATOM 0 HG21 THR A 55 -20.431 8.954 2.046 1.00 0.00 H new ATOM 0 HG22 THR A 55 -18.995 8.547 1.077 1.00 0.00 H new ATOM 0 HG23 THR A 55 -20.615 8.085 0.503 1.00 0.00 H new ATOM 927 N ALA A 56 -18.135 4.529 3.032 1.00 0.00 N ATOM 928 CA ALA A 56 -17.863 3.391 3.927 1.00 0.00 C ATOM 929 C ALA A 56 -19.091 2.994 4.761 1.00 0.00 C ATOM 930 O ALA A 56 -19.334 1.802 5.002 1.00 0.00 O ATOM 931 CB ALA A 56 -16.694 3.727 4.836 1.00 0.00 C ATOM 0 H ALA A 56 -17.538 5.338 3.203 1.00 0.00 H new ATOM 0 HA ALA A 56 -17.613 2.532 3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.494 2.884 5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -15.810 3.932 4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -16.938 4.606 5.432 1.00 0.00 H new ATOM 937 N ALA A 57 -19.868 4.005 5.180 1.00 0.00 N ATOM 938 CA ALA A 57 -21.083 3.795 5.981 1.00 0.00 C ATOM 939 C ALA A 57 -22.167 3.046 5.197 1.00 0.00 C ATOM 940 O ALA A 57 -22.991 2.342 5.790 1.00 0.00 O ATOM 941 CB ALA A 57 -21.621 5.129 6.473 1.00 0.00 C ATOM 0 H ALA A 57 -19.673 4.985 4.974 1.00 0.00 H new ATOM 0 HA ALA A 57 -20.810 3.175 6.835 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -22.521 4.962 7.065 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -20.868 5.621 7.088 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -21.861 5.762 5.619 1.00 0.00 H new ATOM 947 N ASP A 58 -22.135 3.174 3.854 1.00 0.00 N ATOM 948 CA ASP A 58 -23.107 2.513 2.972 1.00 0.00 C ATOM 949 C ASP A 58 -22.988 0.985 3.031 1.00 0.00 C ATOM 950 O ASP A 58 -23.914 0.269 2.639 1.00 0.00 O ATOM 951 CB ASP A 58 -22.925 2.989 1.531 1.00 0.00 C ATOM 952 CG ASP A 58 -23.594 4.323 1.267 1.00 0.00 C ATOM 953 OD1 ASP A 58 -24.836 4.400 1.387 1.00 0.00 O ATOM 954 OD2 ASP A 58 -22.880 5.292 0.934 1.00 0.00 O1- ATOM 0 H ASP A 58 -21.440 3.733 3.359 1.00 0.00 H new ATOM 0 HA ASP A 58 -24.102 2.785 3.325 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -21.860 3.071 1.312 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.334 2.241 0.851 1.00 0.00 H new ATOM 959 N TYR A 59 -21.840 0.503 3.521 1.00 0.00 N ATOM 960 CA TYR A 59 -21.589 -0.929 3.652 1.00 0.00 C ATOM 961 C TYR A 59 -21.397 -1.313 5.128 1.00 0.00 C ATOM 962 O TYR A 59 -20.877 -2.390 5.441 1.00 0.00 O ATOM 963 CB TYR A 59 -20.368 -1.327 2.813 1.00 0.00 C ATOM 964 CG TYR A 59 -20.610 -1.263 1.318 1.00 0.00 C ATOM 965 CD1 TYR A 59 -20.407 -0.084 0.610 1.00 0.00 C ATOM 966 CD2 TYR A 59 -21.039 -2.383 0.617 1.00 0.00 C ATOM 967 CE1 TYR A 59 -20.624 -0.023 -0.754 1.00 0.00 C ATOM 968 CE2 TYR A 59 -21.257 -2.330 -0.748 1.00 0.00 C ATOM 969 CZ TYR A 59 -21.049 -1.149 -1.427 1.00 0.00 C ATOM 970 OH TYR A 59 -21.265 -1.093 -2.784 1.00 0.00 O ATOM 0 H TYR A 59 -21.068 1.092 3.834 1.00 0.00 H new ATOM 0 HA TYR A 59 -22.455 -1.475 3.278 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -19.535 -0.671 3.066 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -20.069 -2.340 3.081 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -20.074 0.799 1.134 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -21.205 -3.310 1.146 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -20.462 0.901 -1.289 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -21.589 -3.210 -1.279 1.00 0.00 H new ATOM 0 HH TYR A 59 -21.560 -1.971 -3.105 1.00 0.00 H new ATOM 980 N LYS A 60 -21.856 -0.413 6.035 1.00 0.00 N ATOM 981 CA LYS A 60 -21.784 -0.586 7.515 1.00 0.00 C ATOM 982 C LYS A 60 -20.418 -1.115 8.014 1.00 0.00 C ATOM 983 O LYS A 60 -20.350 -1.904 8.966 1.00 0.00 O ATOM 984 CB LYS A 60 -22.967 -1.454 8.056 1.00 0.00 C ATOM 985 CG LYS A 60 -23.230 -2.786 7.336 1.00 0.00 C ATOM 986 CD LYS A 60 -22.297 -3.895 7.804 1.00 0.00 C ATOM 987 CE LYS A 60 -22.587 -5.206 7.092 1.00 0.00 C ATOM 988 NZ LYS A 60 -21.682 -6.297 7.543 1.00 0.00 N1+ ATOM 0 H LYS A 60 -22.293 0.466 5.758 1.00 0.00 H new ATOM 0 HA LYS A 60 -21.884 0.417 7.931 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -22.779 -1.667 9.108 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -23.877 -0.856 8.009 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -24.263 -3.089 7.505 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -23.111 -2.645 6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -21.263 -3.602 7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -22.405 -4.033 8.880 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -23.622 -5.496 7.273 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -22.478 -5.066 6.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -21.913 -7.173 7.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -20.695 -6.033 7.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -21.804 -6.449 8.565 1.00 0.00 H new ATOM 1002 N ILE A 61 -19.332 -0.650 7.380 1.00 0.00 N ATOM 1003 CA ILE A 61 -17.972 -1.063 7.756 1.00 0.00 C ATOM 1004 C ILE A 61 -17.428 -0.158 8.869 1.00 0.00 C ATOM 1005 O ILE A 61 -17.558 1.068 8.802 1.00 0.00 O ATOM 1006 CB ILE A 61 -17.014 -1.051 6.529 1.00 0.00 C ATOM 1007 CG1 ILE A 61 -17.646 -1.823 5.356 1.00 0.00 C ATOM 1008 CG2 ILE A 61 -15.654 -1.659 6.890 1.00 0.00 C ATOM 1009 CD1 ILE A 61 -17.100 -1.446 3.994 1.00 0.00 C ATOM 0 H ILE A 61 -19.369 0.012 6.605 1.00 0.00 H new ATOM 0 HA ILE A 61 -18.024 -2.087 8.127 1.00 0.00 H new ATOM 0 HB ILE A 61 -16.856 -0.015 6.229 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -17.491 -2.890 5.514 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -18.723 -1.653 5.363 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -15.003 -1.639 6.016 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -15.199 -1.081 7.695 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -15.791 -2.690 7.216 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -17.599 -2.036 3.226 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.279 -0.387 3.811 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -16.028 -1.643 3.964 1.00 0.00 H new ATOM 1021 N LEU A 62 -16.821 -0.786 9.884 1.00 0.00 N ATOM 1022 CA LEU A 62 -16.267 -0.064 11.034 1.00 0.00 C ATOM 1023 C LEU A 62 -14.856 -0.554 11.389 1.00 0.00 C ATOM 1024 O LEU A 62 -14.380 -1.570 10.854 1.00 0.00 O ATOM 1025 CB LEU A 62 -17.199 -0.215 12.252 1.00 0.00 C ATOM 1026 CG LEU A 62 -18.546 0.512 12.151 1.00 0.00 C ATOM 1027 CD1 LEU A 62 -19.600 -0.382 11.513 1.00 0.00 C ATOM 1028 CD2 LEU A 62 -19.004 0.975 13.525 1.00 0.00 C ATOM 0 H LEU A 62 -16.701 -1.798 9.931 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.194 0.988 10.759 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -17.390 -1.276 12.411 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -16.675 0.150 13.135 1.00 0.00 H new ATOM 0 HG LEU A 62 -18.412 1.387 11.515 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -20.546 0.156 11.453 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -19.279 -0.665 10.510 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -19.731 -1.279 12.118 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -19.961 1.489 13.435 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -19.116 0.112 14.181 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -18.264 1.657 13.945 1.00 0.00 H new ATOM 1040 N GLY A 63 -14.199 0.181 12.313 1.00 0.00 N ATOM 1041 CA GLY A 63 -12.848 -0.153 12.764 1.00 0.00 C ATOM 1042 C GLY A 63 -12.745 -1.558 13.332 1.00 0.00 C ATOM 1043 O GLY A 63 -13.178 -1.817 14.459 1.00 0.00 O ATOM 0 H GLY A 63 -14.592 1.011 12.757 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.156 -0.053 11.928 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.536 0.564 13.523 1.00 0.00 H new ATOM 1047 N GLY A 64 -12.167 -2.451 12.533 1.00 0.00 N ATOM 1048 CA GLY A 64 -12.015 -3.842 12.920 1.00 0.00 C ATOM 1049 C GLY A 64 -12.412 -4.798 11.807 1.00 0.00 C ATOM 1050 O GLY A 64 -12.179 -6.006 11.918 1.00 0.00 O ATOM 0 H GLY A 64 -11.796 -2.230 11.609 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.979 -4.027 13.202 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.625 -4.040 13.801 1.00 0.00 H new ATOM 1054 N SER A 65 -13.012 -4.255 10.730 1.00 0.00 N ATOM 1055 CA SER A 65 -13.443 -5.059 9.582 1.00 0.00 C ATOM 1056 C SER A 65 -12.270 -5.392 8.651 1.00 0.00 C ATOM 1057 O SER A 65 -11.222 -4.732 8.690 1.00 0.00 O ATOM 1058 CB SER A 65 -14.533 -4.316 8.811 1.00 0.00 C ATOM 1059 OG SER A 65 -15.681 -4.112 9.616 1.00 0.00 O ATOM 0 H SER A 65 -13.207 -3.258 10.636 1.00 0.00 H new ATOM 0 HA SER A 65 -13.841 -6.001 9.960 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.150 -3.355 8.469 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.805 -4.885 7.922 1.00 0.00 H new ATOM 0 HG SER A 65 -15.524 -3.360 10.225 1.00 0.00 H new ATOM 1065 N VAL A 66 -12.470 -6.417 7.815 1.00 0.00 N ATOM 1066 CA VAL A 66 -11.449 -6.870 6.868 1.00 0.00 C ATOM 1067 C VAL A 66 -11.925 -6.580 5.445 1.00 0.00 C ATOM 1068 O VAL A 66 -12.978 -7.074 5.026 1.00 0.00 O ATOM 1069 CB VAL A 66 -11.137 -8.393 7.030 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -9.906 -8.803 6.222 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -10.938 -8.768 8.496 1.00 0.00 C ATOM 0 H VAL A 66 -13.338 -6.951 7.777 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.526 -6.328 7.074 1.00 0.00 H new ATOM 0 HB VAL A 66 -12.001 -8.934 6.645 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.719 -9.868 6.359 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -10.079 -8.598 5.166 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -9.040 -8.236 6.565 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -10.723 -9.834 8.573 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -10.104 -8.199 8.907 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -11.845 -8.540 9.056 1.00 0.00 H new ATOM 1081 N LEU A 67 -11.146 -5.782 4.715 1.00 0.00 N ATOM 1082 CA LEU A 67 -11.493 -5.411 3.345 1.00 0.00 C ATOM 1083 C LEU A 67 -10.491 -5.959 2.335 1.00 0.00 C ATOM 1084 O LEU A 67 -9.336 -6.231 2.672 1.00 0.00 O ATOM 1085 CB LEU A 67 -11.586 -3.877 3.204 1.00 0.00 C ATOM 1086 CG LEU A 67 -12.607 -3.160 4.110 1.00 0.00 C ATOM 1087 CD1 LEU A 67 -12.333 -1.668 4.116 1.00 0.00 C ATOM 1088 CD2 LEU A 67 -14.038 -3.419 3.650 1.00 0.00 C ATOM 0 H LEU A 67 -10.270 -5.380 5.050 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.465 -5.855 3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.600 -3.456 3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.829 -3.644 2.167 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.498 -3.558 5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -13.058 -1.168 4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.327 -1.484 4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -12.417 -1.279 3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.732 -2.899 4.310 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -14.164 -3.054 2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.242 -4.489 3.680 1.00 0.00 H new ATOM 1100 N HIS A 68 -10.965 -6.123 1.099 1.00 0.00 N ATOM 1101 CA HIS A 68 -10.159 -6.617 -0.015 1.00 0.00 C ATOM 1102 C HIS A 68 -9.965 -5.508 -1.044 1.00 0.00 C ATOM 1103 O HIS A 68 -10.685 -4.507 -1.018 1.00 0.00 O ATOM 1104 CB HIS A 68 -10.851 -7.816 -0.671 1.00 0.00 C ATOM 1105 CG HIS A 68 -10.630 -9.108 0.052 1.00 0.00 C ATOM 1106 ND1 HIS A 68 -9.710 -10.052 -0.358 1.00 0.00 N ATOM 1107 CD2 HIS A 68 -11.215 -9.614 1.163 1.00 0.00 C ATOM 1108 CE1 HIS A 68 -9.742 -11.082 0.470 1.00 0.00 C ATOM 1109 NE2 HIS A 68 -10.646 -10.840 1.400 1.00 0.00 N ATOM 0 H HIS A 68 -11.930 -5.914 0.842 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.186 -6.931 0.363 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -11.922 -7.620 -0.727 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -10.491 -7.917 -1.695 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -11.986 -9.141 1.753 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -9.132 -11.970 0.398 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -10.884 -11.464 2.171 1.00 0.00 H new ATOM 1118 N LEU A 69 -8.981 -5.672 -1.935 1.00 0.00 N ATOM 1119 CA LEU A 69 -8.725 -4.677 -2.976 1.00 0.00 C ATOM 1120 C LEU A 69 -8.553 -5.337 -4.343 1.00 0.00 C ATOM 1121 O LEU A 69 -7.647 -6.156 -4.538 1.00 0.00 O ATOM 1122 CB LEU A 69 -7.480 -3.841 -2.622 1.00 0.00 C ATOM 1123 CG LEU A 69 -7.354 -2.487 -3.338 1.00 0.00 C ATOM 1124 CD1 LEU A 69 -6.731 -1.453 -2.414 1.00 0.00 C ATOM 1125 CD2 LEU A 69 -6.526 -2.624 -4.609 1.00 0.00 C ATOM 0 H LEU A 69 -8.355 -6.477 -1.955 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.590 -4.016 -3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.480 -3.663 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.593 -4.433 -2.847 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.355 -2.153 -3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.649 -0.500 -2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.358 -1.330 -1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.739 -1.787 -2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.450 -1.654 -5.100 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.528 -2.982 -4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.007 -3.334 -5.282 1.00 0.00 H new ATOM 1137 N VAL A 70 -9.440 -4.979 -5.283 1.00 0.00 N ATOM 1138 CA VAL A 70 -9.367 -5.501 -6.652 1.00 0.00 C ATOM 1139 C VAL A 70 -8.645 -4.475 -7.538 1.00 0.00 C ATOM 1140 O VAL A 70 -9.035 -3.303 -7.590 1.00 0.00 O ATOM 1141 CB VAL A 70 -10.777 -5.827 -7.240 1.00 0.00 C ATOM 1142 CG1 VAL A 70 -10.675 -6.507 -8.607 1.00 0.00 C ATOM 1143 CG2 VAL A 70 -11.576 -6.711 -6.288 1.00 0.00 C ATOM 0 H VAL A 70 -10.212 -4.333 -5.120 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.812 -6.439 -6.629 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.296 -4.877 -7.365 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.676 -6.718 -8.984 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.157 -5.848 -9.303 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.120 -7.440 -8.509 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.553 -6.923 -6.722 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.041 -7.647 -6.125 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -11.705 -6.196 -5.336 1.00 0.00 H new ATOM 1153 N LEU A 71 -7.583 -4.932 -8.207 1.00 0.00 N ATOM 1154 CA LEU A 71 -6.779 -4.076 -9.082 1.00 0.00 C ATOM 1155 C LEU A 71 -7.147 -4.295 -10.551 1.00 0.00 C ATOM 1156 O LEU A 71 -7.642 -5.362 -10.924 1.00 0.00 O ATOM 1157 CB LEU A 71 -5.283 -4.357 -8.859 1.00 0.00 C ATOM 1158 CG LEU A 71 -4.320 -3.238 -9.286 1.00 0.00 C ATOM 1159 CD1 LEU A 71 -4.136 -2.221 -8.166 1.00 0.00 C ATOM 1160 CD2 LEU A 71 -2.979 -3.823 -9.700 1.00 0.00 C ATOM 0 H LEU A 71 -7.259 -5.898 -8.158 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.988 -3.036 -8.833 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.125 -4.561 -7.800 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.019 -5.265 -9.402 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.755 -2.723 -10.142 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.450 -1.440 -8.493 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.099 -1.777 -7.916 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.727 -2.718 -7.287 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.308 -3.018 -10.000 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.544 -4.365 -8.860 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.123 -4.506 -10.537 1.00 0.00 H new ATOM 1172 N ALA A 72 -6.895 -3.268 -11.371 1.00 0.00 N ATOM 1173 CA ALA A 72 -7.184 -3.322 -12.803 1.00 0.00 C ATOM 1174 C ALA A 72 -5.929 -3.650 -13.606 1.00 0.00 C ATOM 1175 O ALA A 72 -4.861 -3.084 -13.356 1.00 0.00 O ATOM 1176 CB ALA A 72 -7.780 -2.002 -13.269 1.00 0.00 C ATOM 0 H ALA A 72 -6.489 -2.385 -11.061 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.909 -4.118 -12.973 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.991 -2.055 -14.337 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.705 -1.808 -12.726 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.072 -1.196 -13.078 1.00 0.00 H new ATOM 1182 N LEU A 73 -6.074 -4.568 -14.566 1.00 0.00 N ATOM 1183 CA LEU A 73 -4.962 -4.987 -15.420 1.00 0.00 C ATOM 1184 C LEU A 73 -5.080 -4.367 -16.809 1.00 0.00 C ATOM 1185 O LEU A 73 -6.188 -4.203 -17.330 1.00 0.00 O ATOM 1186 CB LEU A 73 -4.918 -6.517 -15.534 1.00 0.00 C ATOM 1187 CG LEU A 73 -4.545 -7.267 -14.248 1.00 0.00 C ATOM 1188 CD1 LEU A 73 -5.780 -7.542 -13.399 1.00 0.00 C ATOM 1189 CD2 LEU A 73 -3.827 -8.566 -14.581 1.00 0.00 C ATOM 0 H LEU A 73 -6.956 -5.037 -14.771 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.037 -4.639 -14.961 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.895 -6.867 -15.867 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.202 -6.785 -16.311 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.871 -6.635 -13.669 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.488 -8.074 -12.494 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.253 -6.598 -13.128 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.484 -8.151 -13.967 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.569 -9.086 -13.658 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.479 -9.198 -15.184 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.917 -8.346 -15.140 1.00 0.00 H new ATOM 1201 N ARG A 74 -3.929 -4.027 -17.397 1.00 0.00 N ATOM 1202 CA ARG A 74 -3.881 -3.422 -18.729 1.00 0.00 C ATOM 1203 C ARG A 74 -2.911 -4.175 -19.634 1.00 0.00 C ATOM 1204 O ARG A 74 -1.881 -4.674 -19.170 1.00 0.00 O ATOM 1205 CB ARG A 74 -3.468 -1.949 -18.637 1.00 0.00 C ATOM 1206 CG ARG A 74 -4.554 -1.039 -18.081 1.00 0.00 C ATOM 1207 CD ARG A 74 -4.086 0.407 -18.009 1.00 0.00 C ATOM 1208 NE ARG A 74 -5.124 1.294 -17.471 1.00 0.00 N ATOM 1209 CZ ARG A 74 -4.978 2.614 -17.282 1.00 0.00 C ATOM 1210 NH1 ARG A 74 -3.837 3.231 -17.583 1.00 0.00 N1+ ATOM 1211 NH2 ARG A 74 -5.986 3.321 -16.790 1.00 0.00 N ATOM 0 H ARG A 74 -3.014 -4.162 -16.967 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.880 -3.484 -19.160 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.582 -1.869 -18.007 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.186 -1.598 -19.630 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.442 -1.104 -18.710 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.842 -1.380 -17.086 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.196 0.469 -17.383 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.800 0.746 -19.005 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.021 0.877 -17.223 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.055 2.699 -17.964 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.745 4.236 -17.432 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.866 2.861 -16.558 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.881 4.325 -16.644 1.00 0.00 H new ATOM 1225 N GLY A 75 -3.255 -4.250 -20.923 1.00 0.00 N ATOM 1226 CA GLY A 75 -2.418 -4.940 -21.895 1.00 0.00 C ATOM 1227 C GLY A 75 -2.345 -4.209 -23.220 1.00 0.00 C ATOM 1228 O GLY A 75 -3.335 -3.619 -23.663 1.00 0.00 O ATOM 0 H GLY A 75 -4.105 -3.841 -21.312 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.412 -5.052 -21.489 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.809 -5.944 -22.059 1.00 0.00 H new ATOM 1232 N GLY A 76 -1.166 -4.253 -23.849 1.00 0.00 N ATOM 1233 CA GLY A 76 -0.963 -3.592 -25.131 1.00 0.00 C ATOM 1234 C GLY A 76 0.477 -3.166 -25.344 1.00 0.00 C ATOM 1235 O GLY A 76 0.697 -2.148 -26.035 1.00 0.00 O ATOM 0 H GLY A 76 -0.344 -4.739 -23.489 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.262 -4.265 -25.934 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.610 -2.717 -25.191 1.00 0.00 H new TER 1239 GLY A 76 ATOM 1240 N GLY B 77 24.178 -2.909 -15.344 1.00 0.00 N ATOM 1241 CA GLY B 77 23.246 -1.961 -16.015 1.00 0.00 C ATOM 1242 C GLY B 77 21.839 -2.036 -15.455 1.00 0.00 C ATOM 1243 O GLY B 77 21.323 -3.131 -15.210 1.00 0.00 O ATOM 0 HA2 GLY B 77 23.624 -0.945 -15.904 1.00 0.00 H new ATOM 0 HA3 GLY B 77 23.220 -2.176 -17.083 1.00 0.00 H new ATOM 1249 N GLY B 78 21.224 -0.867 -15.254 1.00 0.00 N ATOM 1250 CA GLY B 78 19.870 -0.801 -14.722 1.00 0.00 C ATOM 1251 C GLY B 78 19.645 0.423 -13.856 1.00 0.00 C ATOM 1252 O GLY B 78 20.271 1.465 -14.074 1.00 0.00 O ATOM 0 H GLY B 78 21.645 0.041 -15.452 1.00 0.00 H new ATOM 0 HA2 GLY B 78 19.159 -0.793 -15.548 1.00 0.00 H new ATOM 0 HA3 GLY B 78 19.669 -1.698 -14.136 1.00 0.00 H new ATOM 1256 N ILE B 79 18.748 0.289 -12.877 1.00 0.00 N ATOM 1257 CA ILE B 79 18.422 1.384 -11.957 1.00 0.00 C ATOM 1258 C ILE B 79 18.631 0.962 -10.502 1.00 0.00 C ATOM 1259 O ILE B 79 18.409 -0.200 -10.149 1.00 0.00 O ATOM 1260 CB ILE B 79 16.967 1.914 -12.148 1.00 0.00 C ATOM 1261 CG1 ILE B 79 15.936 0.768 -12.249 1.00 0.00 C ATOM 1262 CG2 ILE B 79 16.896 2.802 -13.385 1.00 0.00 C ATOM 1263 CD1 ILE B 79 14.653 1.029 -11.487 1.00 0.00 C ATOM 0 H ILE B 79 18.231 -0.572 -12.699 1.00 0.00 H new ATOM 0 HA ILE B 79 19.106 2.198 -12.198 1.00 0.00 H new ATOM 0 HB ILE B 79 16.711 2.498 -11.264 1.00 0.00 H new ATOM 0 HG12 ILE B 79 15.696 0.600 -13.299 1.00 0.00 H new ATOM 0 HG13 ILE B 79 16.389 -0.150 -11.875 1.00 0.00 H new ATOM 0 HG21 ILE B 79 15.877 3.168 -13.512 1.00 0.00 H new ATOM 0 HG22 ILE B 79 17.573 3.648 -13.265 1.00 0.00 H new ATOM 0 HG23 ILE B 79 17.187 2.226 -14.264 1.00 0.00 H new ATOM 0 HD11 ILE B 79 13.980 0.180 -11.606 1.00 0.00 H new ATOM 0 HD12 ILE B 79 14.879 1.167 -10.430 1.00 0.00 H new ATOM 0 HD13 ILE B 79 14.175 1.928 -11.876 1.00 0.00 H new ATOM 1275 N ARG B 80 19.060 1.917 -9.669 1.00 0.00 N ATOM 1276 CA ARG B 80 19.306 1.657 -8.249 1.00 0.00 C ATOM 1277 C ARG B 80 18.630 2.712 -7.374 1.00 0.00 C ATOM 1278 O ARG B 80 18.878 3.913 -7.529 1.00 0.00 O ATOM 1279 CB ARG B 80 20.818 1.613 -7.958 1.00 0.00 C ATOM 1280 CG ARG B 80 21.523 0.375 -8.513 1.00 0.00 C ATOM 1281 CD ARG B 80 21.483 -0.788 -7.530 1.00 0.00 C ATOM 1282 NE ARG B 80 21.645 -2.085 -8.200 1.00 0.00 N ATOM 1283 CZ ARG B 80 21.901 -3.246 -7.575 1.00 0.00 C ATOM 1284 NH1 ARG B 80 22.040 -3.302 -6.251 1.00 0.00 N1+ ATOM 1285 NH2 ARG B 80 22.007 -4.362 -8.284 1.00 0.00 N ATOM 0 H ARG B 80 19.244 2.878 -9.956 1.00 0.00 H new ATOM 0 HA ARG B 80 18.876 0.685 -8.008 1.00 0.00 H new ATOM 0 HB2 ARG B 80 21.285 2.503 -8.379 1.00 0.00 H new ATOM 0 HB3 ARG B 80 20.971 1.653 -6.880 1.00 0.00 H new ATOM 0 HG2 ARG B 80 21.050 0.076 -9.449 1.00 0.00 H new ATOM 0 HG3 ARG B 80 22.560 0.620 -8.744 1.00 0.00 H new ATOM 0 HD2 ARG B 80 22.272 -0.663 -6.789 1.00 0.00 H new ATOM 0 HD3 ARG B 80 20.535 -0.775 -6.992 1.00 0.00 H new ATOM 0 HE ARG B 80 21.556 -2.106 -9.216 1.00 0.00 H new ATOM 0 HH11 ARG B 80 21.952 -2.453 -5.693 1.00 0.00 H new ATOM 0 HH12 ARG B 80 22.234 -4.194 -5.796 1.00 0.00 H new ATOM 0 HH21 ARG B 80 21.894 -4.335 -9.297 1.00 0.00 H new ATOM 0 HH22 ARG B 80 22.201 -5.247 -7.816 1.00 0.00 H new ATOM 1299 N LYS B 81 17.772 2.245 -6.461 1.00 0.00 N ATOM 1300 CA LYS B 81 17.044 3.124 -5.541 1.00 0.00 C ATOM 1301 C LYS B 81 17.343 2.758 -4.075 1.00 0.00 C ATOM 1302 O LYS B 81 16.511 2.958 -3.181 1.00 0.00 O ATOM 1303 CB LYS B 81 15.537 3.050 -5.833 1.00 0.00 C ATOM 1304 CG LYS B 81 15.019 4.220 -6.658 1.00 0.00 C ATOM 1305 CD LYS B 81 13.617 3.954 -7.187 1.00 0.00 C ATOM 1306 CE LYS B 81 13.014 5.196 -7.829 1.00 0.00 C ATOM 1307 NZ LYS B 81 11.777 4.881 -8.595 1.00 0.00 N1+ ATOM 0 H LYS B 81 17.564 1.254 -6.339 1.00 0.00 H new ATOM 0 HA LYS B 81 17.380 4.149 -5.696 1.00 0.00 H new ATOM 0 HB2 LYS B 81 15.323 2.121 -6.361 1.00 0.00 H new ATOM 0 HB3 LYS B 81 14.994 3.013 -4.889 1.00 0.00 H new ATOM 0 HG2 LYS B 81 15.013 5.123 -6.047 1.00 0.00 H new ATOM 0 HG3 LYS B 81 15.695 4.405 -7.493 1.00 0.00 H new ATOM 0 HD2 LYS B 81 13.651 3.146 -7.918 1.00 0.00 H new ATOM 0 HD3 LYS B 81 12.977 3.619 -6.371 1.00 0.00 H new ATOM 0 HE2 LYS B 81 12.785 5.929 -7.056 1.00 0.00 H new ATOM 0 HE3 LYS B 81 13.747 5.653 -8.495 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 11.445 5.736 -9.085 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 11.981 4.138 -9.294 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 11.039 4.548 -7.942 1.00 0.00 H new ATOM 1321 N THR B 82 18.561 2.240 -3.842 1.00 0.00 N ATOM 1322 CA THR B 82 19.028 1.834 -2.504 1.00 0.00 C ATOM 1323 C THR B 82 19.318 3.031 -1.601 1.00 0.00 C ATOM 1324 O THR B 82 19.019 3.006 -0.407 1.00 0.00 O ATOM 1325 CB THR B 82 20.292 0.955 -2.581 1.00 0.00 C ATOM 1326 OG1 THR B 82 21.211 1.486 -3.545 1.00 0.00 O ATOM 1327 CG2 THR B 82 19.933 -0.478 -2.942 1.00 0.00 C ATOM 0 H THR B 82 19.252 2.090 -4.578 1.00 0.00 H new ATOM 0 HA THR B 82 18.210 1.257 -2.072 1.00 0.00 H new ATOM 0 HB THR B 82 20.766 0.957 -1.599 1.00 0.00 H new ATOM 0 HG1 THR B 82 22.010 0.919 -3.582 1.00 0.00 H new ATOM 0 HG21 THR B 82 20.841 -1.079 -2.991 1.00 0.00 H new ATOM 0 HG22 THR B 82 19.266 -0.888 -2.184 1.00 0.00 H new ATOM 0 HG23 THR B 82 19.434 -0.495 -3.911 1.00 0.00 H new ATOM 1335 N ARG B 83 19.922 4.070 -2.188 1.00 0.00 N ATOM 1336 CA ARG B 83 20.295 5.298 -1.472 1.00 0.00 C ATOM 1337 C ARG B 83 19.132 5.918 -0.672 1.00 0.00 C ATOM 1338 O ARG B 83 19.341 6.376 0.444 1.00 0.00 O ATOM 1339 CB ARG B 83 20.850 6.327 -2.465 1.00 0.00 C ATOM 1340 CG ARG B 83 21.960 7.199 -1.891 1.00 0.00 C ATOM 1341 CD ARG B 83 22.491 8.179 -2.925 1.00 0.00 C ATOM 1342 NE ARG B 83 23.562 9.024 -2.382 1.00 0.00 N ATOM 1343 CZ ARG B 83 24.224 9.961 -3.078 1.00 0.00 C ATOM 1344 NH1 ARG B 83 23.943 10.196 -4.358 1.00 0.00 N1+ ATOM 1345 NH2 ARG B 83 25.176 10.667 -2.483 1.00 0.00 N ATOM 0 H ARG B 83 20.168 4.084 -3.178 1.00 0.00 H new ATOM 0 HA ARG B 83 21.058 5.018 -0.745 1.00 0.00 H new ATOM 0 HB2 ARG B 83 21.229 5.803 -3.343 1.00 0.00 H new ATOM 0 HB3 ARG B 83 20.036 6.968 -2.803 1.00 0.00 H new ATOM 0 HG2 ARG B 83 21.583 7.748 -1.028 1.00 0.00 H new ATOM 0 HG3 ARG B 83 22.774 6.567 -1.536 1.00 0.00 H new ATOM 0 HD2 ARG B 83 22.866 7.628 -3.788 1.00 0.00 H new ATOM 0 HD3 ARG B 83 21.676 8.810 -3.279 1.00 0.00 H new ATOM 0 HE ARG B 83 23.822 8.889 -1.405 1.00 0.00 H new ATOM 0 HH11 ARG B 83 23.213 9.659 -4.827 1.00 0.00 H new ATOM 0 HH12 ARG B 83 24.458 10.913 -4.870 1.00 0.00 H new ATOM 0 HH21 ARG B 83 25.401 10.496 -1.503 1.00 0.00 H new ATOM 0 HH22 ARG B 83 25.684 11.381 -3.006 1.00 0.00 H new ATOM 1359 N GLU B 84 17.915 5.924 -1.247 1.00 0.00 N ATOM 1360 CA GLU B 84 16.746 6.528 -0.607 1.00 0.00 C ATOM 1361 C GLU B 84 16.208 5.634 0.498 1.00 0.00 C ATOM 1362 O GLU B 84 15.827 6.094 1.574 1.00 0.00 O ATOM 1363 CB GLU B 84 15.654 6.800 -1.647 1.00 0.00 C ATOM 1364 CG GLU B 84 15.947 7.992 -2.547 1.00 0.00 C ATOM 1365 CD GLU B 84 14.887 8.192 -3.615 1.00 0.00 C ATOM 1366 OE1 GLU B 84 14.853 7.393 -4.574 1.00 0.00 O ATOM 1367 OE2 GLU B 84 14.094 9.150 -3.493 1.00 0.00 O1- ATOM 0 H GLU B 84 17.722 5.513 -2.160 1.00 0.00 H new ATOM 0 HA GLU B 84 17.053 7.474 -0.160 1.00 0.00 H new ATOM 0 HB2 GLU B 84 15.525 5.912 -2.266 1.00 0.00 H new ATOM 0 HB3 GLU B 84 14.708 6.969 -1.132 1.00 0.00 H new ATOM 0 HG2 GLU B 84 16.019 8.893 -1.938 1.00 0.00 H new ATOM 0 HG3 GLU B 84 16.917 7.852 -3.025 1.00 0.00 H new ATOM 1374 N THR B 85 16.205 4.340 0.184 1.00 0.00 N ATOM 1375 CA THR B 85 15.686 3.281 1.042 1.00 0.00 C ATOM 1376 C THR B 85 16.462 3.091 2.345 1.00 0.00 C ATOM 1377 O THR B 85 15.887 3.151 3.431 1.00 0.00 O ATOM 1378 CB THR B 85 15.638 1.967 0.251 1.00 0.00 C ATOM 1379 OG1 THR B 85 16.931 1.643 -0.268 1.00 0.00 O ATOM 1380 CG2 THR B 85 14.645 2.105 -0.895 1.00 0.00 C ATOM 0 H THR B 85 16.575 3.991 -0.700 1.00 0.00 H new ATOM 0 HA THR B 85 14.685 3.587 1.344 1.00 0.00 H new ATOM 0 HB THR B 85 15.323 1.165 0.919 1.00 0.00 H new ATOM 0 HG1 THR B 85 17.508 2.434 -0.225 1.00 0.00 H new ATOM 0 HG21 THR B 85 14.609 1.173 -1.459 1.00 0.00 H new ATOM 0 HG22 THR B 85 13.656 2.326 -0.495 1.00 0.00 H new ATOM 0 HG23 THR B 85 14.959 2.915 -1.553 1.00 0.00 H new ATOM 1388 N GLU B 86 17.764 2.858 2.252 1.00 0.00 N ATOM 1389 CA GLU B 86 18.578 2.675 3.453 1.00 0.00 C ATOM 1390 C GLU B 86 18.777 4.009 4.196 1.00 0.00 C ATOM 1391 O GLU B 86 18.710 4.045 5.420 1.00 0.00 O ATOM 1392 CB GLU B 86 19.898 1.946 3.151 1.00 0.00 C ATOM 1393 CG GLU B 86 20.737 2.550 2.027 1.00 0.00 C ATOM 1394 CD GLU B 86 21.938 1.695 1.674 1.00 0.00 C ATOM 1395 OE1 GLU B 86 21.799 0.808 0.807 1.00 0.00 O ATOM 1396 OE2 GLU B 86 23.015 1.912 2.267 1.00 0.00 O1- ATOM 0 H GLU B 86 18.276 2.791 1.373 1.00 0.00 H new ATOM 0 HA GLU B 86 18.032 2.019 4.131 1.00 0.00 H new ATOM 0 HB2 GLU B 86 20.499 1.927 4.060 1.00 0.00 H new ATOM 0 HB3 GLU B 86 19.672 0.911 2.896 1.00 0.00 H new ATOM 0 HG2 GLU B 86 20.114 2.678 1.142 1.00 0.00 H new ATOM 0 HG3 GLU B 86 21.076 3.542 2.324 1.00 0.00 H new ATOM 1403 N ARG B 87 19.001 5.105 3.447 1.00 0.00 N ATOM 1404 CA ARG B 87 19.173 6.445 4.047 1.00 0.00 C ATOM 1405 C ARG B 87 17.912 6.874 4.818 1.00 0.00 C ATOM 1406 O ARG B 87 18.025 7.454 5.899 1.00 0.00 O ATOM 1407 CB ARG B 87 19.513 7.491 2.981 1.00 0.00 C ATOM 1408 CG ARG B 87 20.400 8.623 3.485 1.00 0.00 C ATOM 1409 CD ARG B 87 20.680 9.640 2.391 1.00 0.00 C ATOM 1410 NE ARG B 87 21.525 10.740 2.867 1.00 0.00 N ATOM 1411 CZ ARG B 87 21.885 11.801 2.130 1.00 0.00 C ATOM 1412 NH1 ARG B 87 21.483 11.932 0.867 1.00 0.00 N1+ ATOM 1413 NH2 ARG B 87 22.655 12.738 2.665 1.00 0.00 N ATOM 0 H ARG B 87 19.067 5.091 2.429 1.00 0.00 H new ATOM 0 HA ARG B 87 20.005 6.381 4.748 1.00 0.00 H new ATOM 0 HB2 ARG B 87 20.011 6.996 2.147 1.00 0.00 H new ATOM 0 HB3 ARG B 87 18.586 7.914 2.593 1.00 0.00 H new ATOM 0 HG2 ARG B 87 19.917 9.117 4.328 1.00 0.00 H new ATOM 0 HG3 ARG B 87 21.341 8.213 3.852 1.00 0.00 H new ATOM 0 HD2 ARG B 87 21.168 9.145 1.552 1.00 0.00 H new ATOM 0 HD3 ARG B 87 19.737 10.042 2.019 1.00 0.00 H new ATOM 0 HE ARG B 87 21.863 10.695 3.828 1.00 0.00 H new ATOM 0 HH11 ARG B 87 20.890 11.218 0.444 1.00 0.00 H new ATOM 0 HH12 ARG B 87 21.768 12.747 0.323 1.00 0.00 H new ATOM 0 HH21 ARG B 87 22.970 12.649 3.631 1.00 0.00 H new ATOM 0 HH22 ARG B 87 22.933 13.548 2.110 1.00 0.00 H new ATOM 1427 N LEU B 88 16.717 6.586 4.247 1.00 0.00 N ATOM 1428 CA LEU B 88 15.416 6.918 4.881 1.00 0.00 C ATOM 1429 C LEU B 88 15.377 6.393 6.312 1.00 0.00 C ATOM 1430 O LEU B 88 15.286 7.126 7.296 1.00 0.00 O ATOM 1431 CB LEU B 88 14.227 6.260 4.088 1.00 0.00 C ATOM 1432 CG LEU B 88 13.764 4.847 4.601 1.00 0.00 C ATOM 1433 CD1 LEU B 88 12.662 4.932 5.651 1.00 0.00 C ATOM 1434 CD2 LEU B 88 13.331 3.912 3.494 1.00 0.00 C ATOM 0 H LEU B 88 16.627 6.122 3.343 1.00 0.00 H new ATOM 0 HA LEU B 88 15.312 8.003 4.873 1.00 0.00 H new ATOM 0 HB2 LEU B 88 13.373 6.936 4.123 1.00 0.00 H new ATOM 0 HB3 LEU B 88 14.519 6.169 3.042 1.00 0.00 H new ATOM 0 HG LEU B 88 14.658 4.427 5.063 1.00 0.00 H new ATOM 0 HD11 LEU B 88 12.383 3.927 5.968 1.00 0.00 H new ATOM 0 HD12 LEU B 88 13.022 5.497 6.511 1.00 0.00 H new ATOM 0 HD13 LEU B 88 11.792 5.433 5.226 1.00 0.00 H new ATOM 0 HD21 LEU B 88 13.025 2.958 3.923 1.00 0.00 H new ATOM 0 HD22 LEU B 88 12.493 4.352 2.953 1.00 0.00 H new ATOM 0 HD23 LEU B 88 14.162 3.752 2.807 1.00 0.00 H new ATOM 1446 N ARG B 89 15.473 5.080 6.342 1.00 0.00 N ATOM 1447 CA ARG B 89 15.387 4.266 7.539 1.00 0.00 C ATOM 1448 C ARG B 89 16.586 4.452 8.490 1.00 0.00 C ATOM 1449 O ARG B 89 16.401 4.497 9.710 1.00 0.00 O ATOM 1450 CB ARG B 89 15.158 2.799 7.088 1.00 0.00 C ATOM 1451 CG ARG B 89 14.941 1.775 8.220 1.00 0.00 C ATOM 1452 CD ARG B 89 13.775 2.134 9.142 1.00 0.00 C ATOM 1453 NE ARG B 89 14.185 3.020 10.237 1.00 0.00 N ATOM 1454 CZ ARG B 89 13.345 3.605 11.102 1.00 0.00 C ATOM 1455 NH1 ARG B 89 12.029 3.413 11.024 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 89 13.829 4.390 12.054 1.00 0.00 N ATOM 0 H ARG B 89 15.619 4.527 5.498 1.00 0.00 H new ATOM 0 HA ARG B 89 14.544 4.588 8.150 1.00 0.00 H new ATOM 0 HB2 ARG B 89 14.290 2.773 6.429 1.00 0.00 H new ATOM 0 HB3 ARG B 89 16.017 2.482 6.497 1.00 0.00 H new ATOM 0 HG2 ARG B 89 14.761 0.793 7.783 1.00 0.00 H new ATOM 0 HG3 ARG B 89 15.853 1.698 8.812 1.00 0.00 H new ATOM 0 HD2 ARG B 89 12.990 2.618 8.560 1.00 0.00 H new ATOM 0 HD3 ARG B 89 13.348 1.221 9.557 1.00 0.00 H new ATOM 0 HE ARG B 89 15.182 3.204 10.348 1.00 0.00 H new ATOM 0 HH11 ARG B 89 11.644 2.811 10.296 1.00 0.00 H new ATOM 0 HH12 ARG B 89 11.407 3.868 11.692 1.00 0.00 H new ATOM 0 HH21 ARG B 89 14.835 4.545 12.125 1.00 0.00 H new ATOM 0 HH22 ARG B 89 13.196 4.839 12.716 1.00 0.00 H new ATOM 1470 N ARG B 90 17.800 4.565 7.939 1.00 0.00 N ATOM 1471 CA ARG B 90 19.014 4.731 8.757 1.00 0.00 C ATOM 1472 C ARG B 90 19.114 6.113 9.430 1.00 0.00 C ATOM 1473 O ARG B 90 19.491 6.189 10.604 1.00 0.00 O ATOM 1474 CB ARG B 90 20.272 4.471 7.923 1.00 0.00 C ATOM 1475 CG ARG B 90 20.516 2.997 7.631 1.00 0.00 C ATOM 1476 CD ARG B 90 21.861 2.765 6.957 1.00 0.00 C ATOM 1477 NE ARG B 90 22.982 2.860 7.902 1.00 0.00 N ATOM 1478 CZ ARG B 90 23.599 1.809 8.464 1.00 0.00 C ATOM 1479 NH1 ARG B 90 23.218 0.562 8.189 1.00 0.00 N1+ ATOM 1480 NH2 ARG B 90 24.604 2.009 9.304 1.00 0.00 N ATOM 0 H ARG B 90 17.971 4.545 6.934 1.00 0.00 H new ATOM 0 HA ARG B 90 18.939 3.992 9.554 1.00 0.00 H new ATOM 0 HB2 ARG B 90 20.190 5.011 6.980 1.00 0.00 H new ATOM 0 HB3 ARG B 90 21.136 4.877 8.449 1.00 0.00 H new ATOM 0 HG2 ARG B 90 20.474 2.431 8.562 1.00 0.00 H new ATOM 0 HG3 ARG B 90 19.719 2.617 6.991 1.00 0.00 H new ATOM 0 HD2 ARG B 90 21.865 1.780 6.489 1.00 0.00 H new ATOM 0 HD3 ARG B 90 21.997 3.497 6.161 1.00 0.00 H new ATOM 0 HE ARG B 90 23.315 3.792 8.149 1.00 0.00 H new ATOM 0 HH11 ARG B 90 22.447 0.395 7.543 1.00 0.00 H new ATOM 0 HH12 ARG B 90 23.698 -0.226 8.625 1.00 0.00 H new ATOM 0 HH21 ARG B 90 24.906 2.959 9.521 1.00 0.00 H new ATOM 0 HH22 ARG B 90 25.076 1.213 9.733 1.00 0.00 H new ATOM 1494 N GLN B 91 18.782 7.201 8.702 1.00 0.00 N ATOM 1495 CA GLN B 91 18.881 8.561 9.274 1.00 0.00 C ATOM 1496 C GLN B 91 17.769 9.517 8.810 1.00 0.00 C ATOM 1497 O GLN B 91 17.160 10.198 9.641 1.00 0.00 O ATOM 1498 CB GLN B 91 20.249 9.185 8.947 1.00 0.00 C ATOM 1499 CG GLN B 91 21.396 8.624 9.774 1.00 0.00 C ATOM 1500 CD GLN B 91 22.727 9.266 9.436 1.00 0.00 C ATOM 1501 OE1 GLN B 91 23.452 8.795 8.559 1.00 0.00 O ATOM 1502 NE2 GLN B 91 23.056 10.349 10.133 1.00 0.00 N ATOM 0 H GLN B 91 18.450 7.167 7.738 1.00 0.00 H new ATOM 0 HA GLN B 91 18.763 8.433 10.350 1.00 0.00 H new ATOM 0 HB2 GLN B 91 20.465 9.028 7.890 1.00 0.00 H new ATOM 0 HB3 GLN B 91 20.193 10.262 9.105 1.00 0.00 H new ATOM 0 HG2 GLN B 91 21.183 8.774 10.832 1.00 0.00 H new ATOM 0 HG3 GLN B 91 21.464 7.548 9.612 1.00 0.00 H new ATOM 0 HE21 GLN B 91 22.425 10.705 10.851 1.00 0.00 H new ATOM 0 HE22 GLN B 91 23.940 10.824 9.950 1.00 0.00 H new ATOM 1511 N LEU B 92 17.507 9.567 7.493 1.00 0.00 N ATOM 1512 CA LEU B 92 16.500 10.482 6.916 1.00 0.00 C ATOM 1513 C LEU B 92 15.046 10.079 7.279 1.00 0.00 C ATOM 1514 O LEU B 92 14.820 9.451 8.317 1.00 0.00 O ATOM 1515 CB LEU B 92 16.706 10.575 5.392 1.00 0.00 C ATOM 1516 CG LEU B 92 16.303 11.911 4.752 1.00 0.00 C ATOM 1517 CD1 LEU B 92 17.452 12.911 4.811 1.00 0.00 C ATOM 1518 CD2 LEU B 92 15.856 11.696 3.314 1.00 0.00 C ATOM 0 H LEU B 92 17.979 8.983 6.803 1.00 0.00 H new ATOM 0 HA LEU B 92 16.647 11.468 7.356 1.00 0.00 H new ATOM 0 HB2 LEU B 92 17.757 10.389 5.173 1.00 0.00 H new ATOM 0 HB3 LEU B 92 16.136 9.777 4.916 1.00 0.00 H new ATOM 0 HG LEU B 92 15.467 12.322 5.318 1.00 0.00 H new ATOM 0 HD11 LEU B 92 17.142 13.849 4.351 1.00 0.00 H new ATOM 0 HD12 LEU B 92 17.726 13.089 5.851 1.00 0.00 H new ATOM 0 HD13 LEU B 92 18.311 12.510 4.273 1.00 0.00 H new ATOM 0 HD21 LEU B 92 15.573 12.652 2.874 1.00 0.00 H new ATOM 0 HD22 LEU B 92 16.674 11.260 2.740 1.00 0.00 H new ATOM 0 HD23 LEU B 92 15.000 11.021 3.296 1.00 0.00 H new ATOM 1530 N LEU B 93 14.072 10.463 6.428 1.00 0.00 N ATOM 1531 CA LEU B 93 12.645 10.183 6.666 1.00 0.00 C ATOM 1532 C LEU B 93 12.241 8.750 6.241 1.00 0.00 C ATOM 1533 O LEU B 93 12.828 7.781 6.721 1.00 0.00 O ATOM 1534 CB LEU B 93 11.783 11.244 5.951 1.00 0.00 C ATOM 1535 CG LEU B 93 11.886 12.671 6.509 1.00 0.00 C ATOM 1536 CD1 LEU B 93 11.616 13.688 5.411 1.00 0.00 C ATOM 1537 CD2 LEU B 93 10.913 12.873 7.665 1.00 0.00 C ATOM 0 H LEU B 93 14.253 10.972 5.563 1.00 0.00 H new ATOM 0 HA LEU B 93 12.467 10.240 7.740 1.00 0.00 H new ATOM 0 HB2 LEU B 93 12.064 11.264 4.898 1.00 0.00 H new ATOM 0 HB3 LEU B 93 10.740 10.930 5.997 1.00 0.00 H new ATOM 0 HG LEU B 93 12.899 12.818 6.884 1.00 0.00 H new ATOM 0 HD11 LEU B 93 11.692 14.695 5.821 1.00 0.00 H new ATOM 0 HD12 LEU B 93 12.348 13.565 4.613 1.00 0.00 H new ATOM 0 HD13 LEU B 93 10.614 13.534 5.011 1.00 0.00 H new ATOM 0 HD21 LEU B 93 11.004 13.891 8.044 1.00 0.00 H new ATOM 0 HD22 LEU B 93 9.894 12.706 7.316 1.00 0.00 H new ATOM 0 HD23 LEU B 93 11.144 12.167 8.463 1.00 0.00 H new ATOM 1549 N GLU B 94 11.225 8.629 5.362 1.00 0.00 N ATOM 1550 CA GLU B 94 10.724 7.329 4.890 1.00 0.00 C ATOM 1551 C GLU B 94 10.419 7.393 3.385 1.00 0.00 C ATOM 1552 O GLU B 94 9.247 7.499 2.994 1.00 0.00 O ATOM 1553 CB GLU B 94 9.467 6.950 5.704 1.00 0.00 C ATOM 1554 CG GLU B 94 9.774 6.401 7.090 1.00 0.00 C ATOM 1555 CD GLU B 94 8.522 6.110 7.892 1.00 0.00 C ATOM 1556 OE1 GLU B 94 8.049 7.020 8.606 1.00 0.00 O1- ATOM 1557 OE2 GLU B 94 8.013 4.973 7.806 1.00 0.00 O ATOM 0 H GLU B 94 10.733 9.428 4.963 1.00 0.00 H new ATOM 0 HA GLU B 94 11.483 6.561 5.038 1.00 0.00 H new ATOM 0 HB2 GLU B 94 8.832 7.830 5.805 1.00 0.00 H new ATOM 0 HB3 GLU B 94 8.896 6.207 5.148 1.00 0.00 H new ATOM 0 HG2 GLU B 94 10.360 5.487 6.993 1.00 0.00 H new ATOM 0 HG3 GLU B 94 10.390 7.118 7.633 1.00 0.00 H new ATOM 1564 N VAL B 95 11.466 7.349 2.525 1.00 0.00 N ATOM 1565 CA VAL B 95 11.212 7.545 1.084 1.00 0.00 C ATOM 1566 C VAL B 95 10.633 6.329 0.266 1.00 0.00 C ATOM 1567 O VAL B 95 9.402 6.232 0.162 1.00 0.00 O ATOM 1568 CB VAL B 95 12.569 8.023 0.460 1.00 0.00 C ATOM 1569 CG1 VAL B 95 12.499 8.163 -1.064 1.00 0.00 C ATOM 1570 CG2 VAL B 95 12.998 9.358 1.065 1.00 0.00 C ATOM 0 H VAL B 95 12.439 7.189 2.786 1.00 0.00 H new ATOM 0 HA VAL B 95 10.402 8.270 1.013 1.00 0.00 H new ATOM 0 HB VAL B 95 13.304 7.253 0.694 1.00 0.00 H new ATOM 0 HG11 VAL B 95 13.465 8.496 -1.443 1.00 0.00 H new ATOM 0 HG12 VAL B 95 12.248 7.199 -1.507 1.00 0.00 H new ATOM 0 HG13 VAL B 95 11.734 8.893 -1.328 1.00 0.00 H new ATOM 0 HG21 VAL B 95 13.942 9.673 0.619 1.00 0.00 H new ATOM 0 HG22 VAL B 95 12.234 10.110 0.866 1.00 0.00 H new ATOM 0 HG23 VAL B 95 13.125 9.245 2.142 1.00 0.00 H new ATOM 1580 N PHE B 96 11.480 5.354 -0.208 1.00 0.00 N ATOM 1581 CA PHE B 96 10.978 4.180 -0.961 1.00 0.00 C ATOM 1582 C PHE B 96 10.588 3.079 -0.030 1.00 0.00 C ATOM 1583 O PHE B 96 9.447 2.653 0.044 1.00 0.00 O ATOM 1584 CB PHE B 96 11.924 3.672 -2.049 1.00 0.00 C ATOM 1585 CG PHE B 96 11.243 3.550 -3.387 1.00 0.00 C ATOM 1586 CD1 PHE B 96 10.538 2.400 -3.710 1.00 0.00 C ATOM 1587 CD2 PHE B 96 11.289 4.581 -4.311 1.00 0.00 C ATOM 1588 CE1 PHE B 96 9.893 2.281 -4.922 1.00 0.00 C ATOM 1589 CE2 PHE B 96 10.646 4.464 -5.531 1.00 0.00 C ATOM 1590 CZ PHE B 96 9.947 3.313 -5.835 1.00 0.00 C ATOM 0 H PHE B 96 12.492 5.368 -0.078 1.00 0.00 H new ATOM 0 HA PHE B 96 10.094 4.532 -1.493 1.00 0.00 H new ATOM 0 HB2 PHE B 96 12.772 4.351 -2.136 1.00 0.00 H new ATOM 0 HB3 PHE B 96 12.322 2.700 -1.757 1.00 0.00 H new ATOM 0 HD1 PHE B 96 10.494 1.586 -3.001 1.00 0.00 H new ATOM 0 HD2 PHE B 96 11.832 5.485 -4.077 1.00 0.00 H new ATOM 0 HE1 PHE B 96 9.346 1.380 -5.157 1.00 0.00 H new ATOM 0 HE2 PHE B 96 10.691 5.273 -6.245 1.00 0.00 H new ATOM 0 HZ PHE B 96 9.443 3.221 -6.786 1.00 0.00 H new ATOM 1600 N TRP B 97 11.633 2.617 0.668 1.00 0.00 N ATOM 1601 CA TRP B 97 11.559 1.597 1.668 1.00 0.00 C ATOM 1602 C TRP B 97 10.634 2.140 2.766 1.00 0.00 C ATOM 1603 O TRP B 97 9.931 1.407 3.406 1.00 0.00 O ATOM 1604 CB TRP B 97 13.013 1.218 2.108 1.00 0.00 C ATOM 1605 CG TRP B 97 13.138 0.147 3.170 1.00 0.00 C ATOM 1606 CD1 TRP B 97 13.690 -1.077 2.982 1.00 0.00 C ATOM 1607 CD2 TRP B 97 12.755 0.197 4.562 1.00 0.00 C ATOM 1608 NE1 TRP B 97 13.633 -1.818 4.137 1.00 0.00 N ATOM 1609 CE2 TRP B 97 13.079 -1.055 5.124 1.00 0.00 C ATOM 1610 CE3 TRP B 97 12.163 1.156 5.388 1.00 0.00 C ATOM 1611 CZ2 TRP B 97 12.834 -1.365 6.459 1.00 0.00 C ATOM 1612 CZ3 TRP B 97 11.926 0.846 6.712 1.00 0.00 C ATOM 1613 CH2 TRP B 97 12.259 -0.404 7.235 1.00 0.00 C ATOM 0 H TRP B 97 12.580 2.971 0.531 1.00 0.00 H new ATOM 0 HA TRP B 97 11.128 0.655 1.329 1.00 0.00 H new ATOM 0 HB2 TRP B 97 13.562 0.890 1.226 1.00 0.00 H new ATOM 0 HB3 TRP B 97 13.505 2.120 2.473 1.00 0.00 H new ATOM 0 HD1 TRP B 97 14.116 -1.422 2.052 1.00 0.00 H new ATOM 0 HE1 TRP B 97 13.952 -2.781 4.240 1.00 0.00 H new ATOM 0 HE3 TRP B 97 11.895 2.126 4.996 1.00 0.00 H new ATOM 0 HZ2 TRP B 97 13.091 -2.332 6.865 1.00 0.00 H new ATOM 0 HZ3 TRP B 97 11.474 1.586 7.356 1.00 0.00 H new ATOM 0 HH2 TRP B 97 12.057 -0.614 8.275 1.00 0.00 H new ATOM 1624 N GLY B 98 10.699 3.453 2.986 1.00 0.00 N ATOM 1625 CA GLY B 98 9.888 4.129 3.989 1.00 0.00 C ATOM 1626 C GLY B 98 8.370 4.062 3.806 1.00 0.00 C ATOM 1627 O GLY B 98 7.742 3.131 4.301 1.00 0.00 O ATOM 0 H GLY B 98 11.319 4.077 2.470 1.00 0.00 H new ATOM 0 HA2 GLY B 98 10.132 3.707 4.964 1.00 0.00 H new ATOM 0 HA3 GLY B 98 10.182 5.178 4.013 1.00 0.00 H new ATOM 1631 N GLN B 99 7.803 5.050 3.069 1.00 0.00 N ATOM 1632 CA GLN B 99 6.327 5.210 2.855 1.00 0.00 C ATOM 1633 C GLN B 99 5.439 4.047 3.390 1.00 0.00 C ATOM 1634 O GLN B 99 4.926 3.223 2.626 1.00 0.00 O ATOM 1635 CB GLN B 99 6.037 5.481 1.374 1.00 0.00 C ATOM 1636 CG GLN B 99 6.355 6.906 0.945 1.00 0.00 C ATOM 1637 CD GLN B 99 6.044 7.163 -0.516 1.00 0.00 C ATOM 1638 OE1 GLN B 99 6.898 6.986 -1.385 1.00 0.00 O ATOM 1639 NE2 GLN B 99 4.815 7.581 -0.795 1.00 0.00 N ATOM 0 H GLN B 99 8.355 5.768 2.599 1.00 0.00 H new ATOM 0 HA GLN B 99 6.042 6.068 3.464 1.00 0.00 H new ATOM 0 HB2 GLN B 99 6.618 4.788 0.765 1.00 0.00 H new ATOM 0 HB3 GLN B 99 4.985 5.276 1.174 1.00 0.00 H new ATOM 0 HG2 GLN B 99 5.785 7.602 1.561 1.00 0.00 H new ATOM 0 HG3 GLN B 99 7.410 7.109 1.128 1.00 0.00 H new ATOM 0 HE21 GLN B 99 4.139 7.714 -0.043 1.00 0.00 H new ATOM 0 HE22 GLN B 99 4.547 7.769 -1.761 1.00 0.00 H new ATOM 1648 N ASP B 100 5.265 4.026 4.735 1.00 0.00 N ATOM 1649 CA ASP B 100 4.455 3.016 5.479 1.00 0.00 C ATOM 1650 C ASP B 100 4.677 1.558 4.997 1.00 0.00 C ATOM 1651 O ASP B 100 5.697 0.952 5.325 1.00 0.00 O ATOM 1652 CB ASP B 100 2.961 3.391 5.453 1.00 0.00 C ATOM 1653 CG ASP B 100 2.665 4.673 6.212 1.00 0.00 C ATOM 1654 OD1 ASP B 100 2.504 4.608 7.448 1.00 0.00 O ATOM 1655 OD2 ASP B 100 2.597 5.742 5.568 1.00 0.00 O1- ATOM 0 H ASP B 100 5.690 4.721 5.349 1.00 0.00 H new ATOM 0 HA ASP B 100 4.810 3.041 6.509 1.00 0.00 H new ATOM 0 HB2 ASP B 100 2.637 3.503 4.418 1.00 0.00 H new ATOM 0 HB3 ASP B 100 2.379 2.576 5.883 1.00 0.00 H new ATOM 1660 N HIS B 101 3.712 1.010 4.223 1.00 0.00 N ATOM 1661 CA HIS B 101 3.773 -0.365 3.669 1.00 0.00 C ATOM 1662 C HIS B 101 5.051 -0.607 2.871 1.00 0.00 C ATOM 1663 O HIS B 101 5.620 -1.702 2.883 1.00 0.00 O ATOM 1664 CB HIS B 101 2.543 -0.674 2.820 1.00 0.00 C ATOM 1665 CG HIS B 101 1.791 -1.861 3.331 1.00 0.00 C ATOM 1666 ND1 HIS B 101 1.451 -2.014 4.661 1.00 0.00 N ATOM 1667 CD2 HIS B 101 1.346 -2.973 2.702 1.00 0.00 C ATOM 1668 CE1 HIS B 101 0.838 -3.165 4.826 1.00 0.00 C ATOM 1669 NE2 HIS B 101 0.759 -3.768 3.654 1.00 0.00 N ATOM 0 H HIS B 101 2.863 1.512 3.963 1.00 0.00 H new ATOM 0 HA HIS B 101 3.785 -1.047 4.519 1.00 0.00 H new ATOM 0 HB2 HIS B 101 1.884 0.194 2.808 1.00 0.00 H new ATOM 0 HB3 HIS B 101 2.850 -0.856 1.790 1.00 0.00 H new ATOM 0 HD2 HIS B 101 1.436 -3.194 1.649 1.00 0.00 H new ATOM 0 HE1 HIS B 101 0.463 -3.552 5.762 1.00 0.00 H new ATOM 0 HE2 HIS B 101 0.331 -4.678 3.484 1.00 0.00 H new ATOM 1678 N LYS B 102 5.466 0.450 2.182 1.00 0.00 N ATOM 1679 CA LYS B 102 6.655 0.495 1.328 1.00 0.00 C ATOM 1680 C LYS B 102 7.926 -0.104 1.985 1.00 0.00 C ATOM 1681 O LYS B 102 8.784 -0.646 1.287 1.00 0.00 O ATOM 1682 CB LYS B 102 6.932 1.931 0.886 1.00 0.00 C ATOM 1683 CG LYS B 102 6.057 2.415 -0.271 1.00 0.00 C ATOM 1684 CD LYS B 102 6.869 3.215 -1.287 1.00 0.00 C ATOM 1685 CE LYS B 102 5.999 4.142 -2.123 1.00 0.00 C ATOM 1686 NZ LYS B 102 5.346 3.421 -3.247 1.00 0.00 N1+ ATOM 0 H LYS B 102 4.964 1.338 2.202 1.00 0.00 H new ATOM 0 HA LYS B 102 6.428 -0.133 0.467 1.00 0.00 H new ATOM 0 HB2 LYS B 102 6.787 2.595 1.738 1.00 0.00 H new ATOM 0 HB3 LYS B 102 7.979 2.013 0.593 1.00 0.00 H new ATOM 0 HG2 LYS B 102 5.597 1.559 -0.764 1.00 0.00 H new ATOM 0 HG3 LYS B 102 5.247 3.033 0.117 1.00 0.00 H new ATOM 0 HD2 LYS B 102 7.623 3.803 -0.764 1.00 0.00 H new ATOM 0 HD3 LYS B 102 7.401 2.528 -1.945 1.00 0.00 H new ATOM 0 HE2 LYS B 102 5.236 4.594 -1.489 1.00 0.00 H new ATOM 0 HE3 LYS B 102 6.609 4.955 -2.518 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 4.946 4.110 -3.915 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 6.049 2.832 -3.737 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 4.585 2.816 -2.876 1.00 0.00 H new ATOM 1700 N VAL B 103 8.022 0.021 3.324 1.00 0.00 N ATOM 1701 CA VAL B 103 9.215 -0.373 4.139 1.00 0.00 C ATOM 1702 C VAL B 103 9.754 -1.748 3.766 1.00 0.00 C ATOM 1703 O VAL B 103 10.906 -1.862 3.375 1.00 0.00 O ATOM 1704 CB VAL B 103 8.917 -0.312 5.688 1.00 0.00 C ATOM 1705 CG1 VAL B 103 8.713 1.122 6.151 1.00 0.00 C ATOM 1706 CG2 VAL B 103 7.702 -1.151 6.104 1.00 0.00 C ATOM 0 H VAL B 103 7.265 0.404 3.890 1.00 0.00 H new ATOM 0 HA VAL B 103 9.986 0.361 3.904 1.00 0.00 H new ATOM 0 HB VAL B 103 9.796 -0.738 6.172 1.00 0.00 H new ATOM 0 HG11 VAL B 103 8.509 1.133 7.222 1.00 0.00 H new ATOM 0 HG12 VAL B 103 9.613 1.702 5.947 1.00 0.00 H new ATOM 0 HG13 VAL B 103 7.870 1.560 5.617 1.00 0.00 H new ATOM 0 HG21 VAL B 103 7.552 -1.066 7.180 1.00 0.00 H new ATOM 0 HG22 VAL B 103 6.815 -0.789 5.584 1.00 0.00 H new ATOM 0 HG23 VAL B 103 7.875 -2.195 5.844 1.00 0.00 H new ATOM 1716 N ASP B 104 8.970 -2.768 3.978 1.00 0.00 N ATOM 1717 CA ASP B 104 9.280 -4.120 3.551 1.00 0.00 C ATOM 1718 C ASP B 104 8.995 -4.306 2.047 1.00 0.00 C ATOM 1719 O ASP B 104 9.639 -5.110 1.370 1.00 0.00 O ATOM 1720 CB ASP B 104 8.660 -5.188 4.443 1.00 0.00 C ATOM 1721 CG ASP B 104 7.139 -5.122 4.555 1.00 0.00 C ATOM 1722 OD1 ASP B 104 6.631 -4.166 5.179 1.00 0.00 O1- ATOM 1723 OD2 ASP B 104 6.457 -6.025 4.019 1.00 0.00 O ATOM 0 H ASP B 104 8.076 -2.689 4.463 1.00 0.00 H new ATOM 0 HA ASP B 104 10.353 -4.266 3.678 1.00 0.00 H new ATOM 0 HB2 ASP B 104 8.940 -6.169 4.060 1.00 0.00 H new ATOM 0 HB3 ASP B 104 9.088 -5.101 5.442 1.00 0.00 H new ATOM 1728 N PHE B 105 7.996 -3.525 1.559 1.00 0.00 N ATOM 1729 CA PHE B 105 7.423 -3.652 0.203 1.00 0.00 C ATOM 1730 C PHE B 105 8.468 -3.651 -0.872 1.00 0.00 C ATOM 1731 O PHE B 105 8.318 -4.386 -1.854 1.00 0.00 O ATOM 1732 CB PHE B 105 6.376 -2.541 -0.123 1.00 0.00 C ATOM 1733 CG PHE B 105 6.659 -1.842 -1.472 1.00 0.00 C ATOM 1734 CD1 PHE B 105 7.486 -0.715 -1.555 1.00 0.00 C ATOM 1735 CD2 PHE B 105 6.141 -2.352 -2.664 1.00 0.00 C ATOM 1736 CE1 PHE B 105 7.774 -0.127 -2.774 1.00 0.00 C ATOM 1737 CE2 PHE B 105 6.428 -1.757 -3.882 1.00 0.00 C ATOM 1738 CZ PHE B 105 7.243 -0.646 -3.935 1.00 0.00 C ATOM 0 H PHE B 105 7.564 -2.781 2.108 1.00 0.00 H new ATOM 0 HA PHE B 105 6.921 -4.620 0.213 1.00 0.00 H new ATOM 0 HB2 PHE B 105 5.379 -2.981 -0.147 1.00 0.00 H new ATOM 0 HB3 PHE B 105 6.378 -1.799 0.675 1.00 0.00 H new ATOM 0 HD1 PHE B 105 7.906 -0.298 -0.652 1.00 0.00 H new ATOM 0 HD2 PHE B 105 5.506 -3.225 -2.636 1.00 0.00 H new ATOM 0 HE1 PHE B 105 8.416 0.740 -2.816 1.00 0.00 H new ATOM 0 HE2 PHE B 105 6.012 -2.164 -4.792 1.00 0.00 H new ATOM 0 HZ PHE B 105 7.465 -0.183 -4.885 1.00 0.00 H new ATOM 1748 N ILE B 106 9.510 -2.815 -0.722 1.00 0.00 N ATOM 1749 CA ILE B 106 10.509 -2.741 -1.792 1.00 0.00 C ATOM 1750 C ILE B 106 10.894 -4.148 -2.270 1.00 0.00 C ATOM 1751 O ILE B 106 10.553 -4.504 -3.399 1.00 0.00 O ATOM 1752 CB ILE B 106 11.847 -1.950 -1.468 1.00 0.00 C ATOM 1753 CG1 ILE B 106 12.147 -1.658 0.012 1.00 0.00 C ATOM 1754 CG2 ILE B 106 11.828 -0.594 -2.160 1.00 0.00 C ATOM 1755 CD1 ILE B 106 11.273 -2.328 1.015 1.00 0.00 C ATOM 0 H ILE B 106 9.676 -2.213 0.084 1.00 0.00 H new ATOM 0 HA ILE B 106 10.000 -2.161 -2.562 1.00 0.00 H new ATOM 0 HB ILE B 106 12.620 -2.632 -1.823 1.00 0.00 H new ATOM 0 HG12 ILE B 106 13.179 -1.945 0.213 1.00 0.00 H new ATOM 0 HG13 ILE B 106 12.080 -0.581 0.167 1.00 0.00 H new ATOM 0 HG21 ILE B 106 12.749 -0.057 -1.933 1.00 0.00 H new ATOM 0 HG22 ILE B 106 11.747 -0.737 -3.238 1.00 0.00 H new ATOM 0 HG23 ILE B 106 10.974 -0.016 -1.805 1.00 0.00 H new ATOM 0 HD11 ILE B 106 11.586 -2.042 2.019 1.00 0.00 H new ATOM 0 HD12 ILE B 106 10.238 -2.024 0.857 1.00 0.00 H new ATOM 0 HD13 ILE B 106 11.354 -3.409 0.904 1.00 0.00 H new ATOM 1767 N LEU B 107 11.476 -4.986 -1.429 1.00 0.00 N ATOM 1768 CA LEU B 107 11.869 -6.330 -1.877 1.00 0.00 C ATOM 1769 C LEU B 107 10.647 -7.202 -2.227 1.00 0.00 C ATOM 1770 O LEU B 107 10.667 -7.909 -3.237 1.00 0.00 O ATOM 1771 CB LEU B 107 12.789 -6.961 -0.828 1.00 0.00 C ATOM 1772 CG LEU B 107 13.165 -8.450 -1.002 1.00 0.00 C ATOM 1773 CD1 LEU B 107 14.576 -8.711 -0.497 1.00 0.00 C ATOM 1774 CD2 LEU B 107 12.182 -9.346 -0.257 1.00 0.00 C ATOM 0 H LEU B 107 11.687 -4.776 -0.453 1.00 0.00 H new ATOM 0 HA LEU B 107 12.430 -6.252 -2.808 1.00 0.00 H new ATOM 0 HB2 LEU B 107 13.713 -6.383 -0.802 1.00 0.00 H new ATOM 0 HB3 LEU B 107 12.314 -6.847 0.146 1.00 0.00 H new ATOM 0 HG LEU B 107 13.120 -8.683 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU B 107 14.820 -9.765 -0.629 1.00 0.00 H new ATOM 0 HD12 LEU B 107 15.283 -8.101 -1.060 1.00 0.00 H new ATOM 0 HD13 LEU B 107 14.637 -8.454 0.560 1.00 0.00 H new ATOM 0 HD21 LEU B 107 12.466 -10.390 -0.393 1.00 0.00 H new ATOM 0 HD22 LEU B 107 12.199 -9.101 0.805 1.00 0.00 H new ATOM 0 HD23 LEU B 107 11.177 -9.189 -0.649 1.00 0.00 H new ATOM 1786 N GLN B 108 9.595 -7.126 -1.391 1.00 0.00 N ATOM 1787 CA GLN B 108 8.327 -7.872 -1.582 1.00 0.00 C ATOM 1788 C GLN B 108 8.544 -9.375 -1.891 1.00 0.00 C ATOM 1789 O GLN B 108 8.574 -10.189 -0.964 1.00 0.00 O ATOM 1790 CB GLN B 108 7.453 -7.196 -2.664 1.00 0.00 C ATOM 1791 CG GLN B 108 5.956 -7.375 -2.453 1.00 0.00 C ATOM 1792 CD GLN B 108 5.131 -6.692 -3.527 1.00 0.00 C ATOM 1793 OE1 GLN B 108 4.757 -5.526 -3.392 1.00 0.00 O ATOM 1794 NE2 GLN B 108 4.844 -7.415 -4.603 1.00 0.00 N ATOM 0 H GLN B 108 9.596 -6.541 -0.555 1.00 0.00 H new ATOM 0 HA GLN B 108 7.796 -7.835 -0.631 1.00 0.00 H new ATOM 0 HB2 GLN B 108 7.681 -6.130 -2.687 1.00 0.00 H new ATOM 0 HB3 GLN B 108 7.723 -7.601 -3.639 1.00 0.00 H new ATOM 0 HG2 GLN B 108 5.719 -8.439 -2.439 1.00 0.00 H new ATOM 0 HG3 GLN B 108 5.680 -6.974 -1.478 1.00 0.00 H new ATOM 0 HE21 GLN B 108 5.174 -8.378 -4.674 1.00 0.00 H new ATOM 0 HE22 GLN B 108 4.293 -7.008 -5.359 1.00 0.00 H new ATOM 1803 N ARG B 109 8.696 -9.736 -3.189 1.00 0.00 N ATOM 1804 CA ARG B 109 8.884 -11.142 -3.587 1.00 0.00 C ATOM 1805 C ARG B 109 9.720 -11.308 -4.865 1.00 0.00 C ATOM 1806 O ARG B 109 10.545 -12.225 -4.938 1.00 0.00 O ATOM 1807 CB ARG B 109 7.523 -11.832 -3.801 1.00 0.00 C ATOM 1808 CG ARG B 109 6.788 -12.174 -2.513 1.00 0.00 C ATOM 1809 CD ARG B 109 5.470 -12.878 -2.794 1.00 0.00 C ATOM 1810 NE ARG B 109 4.765 -13.237 -1.558 1.00 0.00 N ATOM 1811 CZ ARG B 109 3.644 -13.969 -1.503 1.00 0.00 C ATOM 1812 NH1 ARG B 109 3.070 -14.438 -2.610 1.00 0.00 N1+ ATOM 1813 NH2 ARG B 109 3.092 -14.235 -0.326 1.00 0.00 N ATOM 0 H ARG B 109 8.691 -9.076 -3.967 1.00 0.00 H new ATOM 0 HA ARG B 109 9.430 -11.608 -2.767 1.00 0.00 H new ATOM 0 HB2 ARG B 109 6.890 -11.183 -4.406 1.00 0.00 H new ATOM 0 HB3 ARG B 109 7.678 -12.748 -4.372 1.00 0.00 H new ATOM 0 HG2 ARG B 109 7.417 -12.812 -1.892 1.00 0.00 H new ATOM 0 HG3 ARG B 109 6.601 -11.262 -1.946 1.00 0.00 H new ATOM 0 HD2 ARG B 109 4.835 -12.231 -3.399 1.00 0.00 H new ATOM 0 HD3 ARG B 109 5.657 -13.778 -3.379 1.00 0.00 H new ATOM 0 HE ARG B 109 5.157 -12.905 -0.677 1.00 0.00 H new ATOM 0 HH11 ARG B 109 3.484 -14.242 -3.521 1.00 0.00 H new ATOM 0 HH12 ARG B 109 2.217 -14.993 -2.546 1.00 0.00 H new ATOM 0 HH21 ARG B 109 3.521 -13.883 0.530 1.00 0.00 H new ATOM 0 HH22 ARG B 109 2.239 -14.792 -0.277 1.00 0.00 H new ATOM 1827 N GLU B 110 9.517 -10.433 -5.867 1.00 0.00 N ATOM 1828 CA GLU B 110 10.232 -10.562 -7.151 1.00 0.00 C ATOM 1829 C GLU B 110 11.107 -9.344 -7.544 1.00 0.00 C ATOM 1830 O GLU B 110 12.256 -9.561 -7.937 1.00 0.00 O ATOM 1831 CB GLU B 110 9.235 -10.871 -8.275 1.00 0.00 C ATOM 1832 CG GLU B 110 8.750 -12.313 -8.282 1.00 0.00 C ATOM 1833 CD GLU B 110 7.609 -12.540 -9.255 1.00 0.00 C ATOM 1834 OE1 GLU B 110 6.442 -12.333 -8.861 1.00 0.00 O1- ATOM 1835 OE2 GLU B 110 7.883 -12.921 -10.413 1.00 0.00 O ATOM 0 H GLU B 110 8.875 -9.642 -5.816 1.00 0.00 H new ATOM 0 HA GLU B 110 10.931 -11.386 -7.009 1.00 0.00 H new ATOM 0 HB2 GLU B 110 8.375 -10.208 -8.179 1.00 0.00 H new ATOM 0 HB3 GLU B 110 9.702 -10.649 -9.234 1.00 0.00 H new ATOM 0 HG2 GLU B 110 9.580 -12.970 -8.541 1.00 0.00 H new ATOM 0 HG3 GLU B 110 8.427 -12.589 -7.278 1.00 0.00 H new ATOM 1842 N PRO B 111 10.612 -8.052 -7.472 1.00 0.00 N ATOM 1843 CA PRO B 111 11.410 -6.852 -7.871 1.00 0.00 C ATOM 1844 C PRO B 111 12.863 -6.845 -7.357 1.00 0.00 C ATOM 1845 O PRO B 111 13.102 -6.970 -6.159 1.00 0.00 O ATOM 1846 CB PRO B 111 10.620 -5.700 -7.254 1.00 0.00 C ATOM 1847 CG PRO B 111 9.211 -6.163 -7.284 1.00 0.00 C ATOM 1848 CD PRO B 111 9.256 -7.642 -7.008 1.00 0.00 C ATOM 0 HA PRO B 111 11.527 -6.805 -8.954 1.00 0.00 H new ATOM 0 HB2 PRO B 111 10.949 -5.493 -6.236 1.00 0.00 H new ATOM 0 HB3 PRO B 111 10.748 -4.780 -7.824 1.00 0.00 H new ATOM 0 HG2 PRO B 111 8.613 -5.644 -6.535 1.00 0.00 H new ATOM 0 HG3 PRO B 111 8.754 -5.960 -8.253 1.00 0.00 H new ATOM 0 HD2 PRO B 111 9.115 -7.855 -5.948 1.00 0.00 H new ATOM 0 HD3 PRO B 111 8.472 -8.173 -7.547 1.00 0.00 H new ATOM 1856 N TYR B 112 13.816 -6.699 -8.301 1.00 0.00 N ATOM 1857 CA TYR B 112 15.268 -6.694 -8.012 1.00 0.00 C ATOM 1858 C TYR B 112 15.744 -5.397 -7.315 1.00 0.00 C ATOM 1859 O TYR B 112 16.361 -5.455 -6.245 1.00 0.00 O ATOM 1860 CB TYR B 112 16.044 -6.935 -9.329 1.00 0.00 C ATOM 1861 CG TYR B 112 17.562 -6.985 -9.200 1.00 0.00 C ATOM 1862 CD1 TYR B 112 18.203 -8.055 -8.581 1.00 0.00 C ATOM 1863 CD2 TYR B 112 18.349 -5.960 -9.712 1.00 0.00 C ATOM 1864 CE1 TYR B 112 19.580 -8.098 -8.476 1.00 0.00 C ATOM 1865 CE2 TYR B 112 19.726 -5.998 -9.609 1.00 0.00 C ATOM 1866 CZ TYR B 112 20.336 -7.067 -8.991 1.00 0.00 C ATOM 1867 OH TYR B 112 21.708 -7.109 -8.887 1.00 0.00 O ATOM 0 H TYR B 112 13.600 -6.581 -9.291 1.00 0.00 H new ATOM 0 HA TYR B 112 15.472 -7.499 -7.306 1.00 0.00 H new ATOM 0 HB2 TYR B 112 15.703 -7.875 -9.764 1.00 0.00 H new ATOM 0 HB3 TYR B 112 15.783 -6.145 -10.033 1.00 0.00 H new ATOM 0 HD1 TYR B 112 17.614 -8.865 -8.176 1.00 0.00 H new ATOM 0 HD2 TYR B 112 17.876 -5.120 -10.199 1.00 0.00 H new ATOM 0 HE1 TYR B 112 20.062 -8.935 -7.993 1.00 0.00 H new ATOM 0 HE2 TYR B 112 20.322 -5.192 -10.012 1.00 0.00 H new ATOM 0 HH TYR B 112 22.108 -6.637 -9.647 1.00 0.00 H new ATOM 1877 N CYS B 113 15.463 -4.237 -7.933 1.00 0.00 N ATOM 1878 CA CYS B 113 15.870 -2.921 -7.393 1.00 0.00 C ATOM 1879 C CYS B 113 15.339 -2.689 -5.972 1.00 0.00 C ATOM 1880 O CYS B 113 16.055 -2.194 -5.089 1.00 0.00 O ATOM 1881 CB CYS B 113 15.386 -1.802 -8.321 1.00 0.00 C ATOM 1882 SG CYS B 113 16.045 -1.900 -10.002 1.00 0.00 S ATOM 0 H CYS B 113 14.952 -4.181 -8.814 1.00 0.00 H new ATOM 0 HA CYS B 113 16.959 -2.912 -7.341 1.00 0.00 H new ATOM 0 HB2 CYS B 113 14.297 -1.828 -8.367 1.00 0.00 H new ATOM 0 HB3 CYS B 113 15.664 -0.841 -7.889 1.00 0.00 H new ATOM 0 HG CYS B 113 17.261 -1.440 -10.019 1.00 0.00 H new ATOM 1888 N ARG B 114 14.086 -3.094 -5.762 1.00 0.00 N ATOM 1889 CA ARG B 114 13.399 -2.951 -4.501 1.00 0.00 C ATOM 1890 C ARG B 114 13.969 -3.981 -3.522 1.00 0.00 C ATOM 1891 O ARG B 114 14.119 -3.720 -2.326 1.00 0.00 O ATOM 1892 CB ARG B 114 11.881 -3.099 -4.695 1.00 0.00 C ATOM 1893 CG ARG B 114 11.289 -2.368 -5.909 1.00 0.00 C ATOM 1894 CD ARG B 114 10.858 -0.945 -5.571 1.00 0.00 C ATOM 1895 NE ARG B 114 10.529 -0.156 -6.768 1.00 0.00 N ATOM 1896 CZ ARG B 114 11.385 0.662 -7.404 1.00 0.00 C ATOM 1897 NH1 ARG B 114 12.640 0.807 -6.983 1.00 0.00 N1+ ATOM 1898 NH2 ARG B 114 10.967 1.371 -8.444 1.00 0.00 N ATOM 0 H ARG B 114 13.519 -3.538 -6.485 1.00 0.00 H new ATOM 0 HA ARG B 114 13.558 -1.955 -4.087 1.00 0.00 H new ATOM 0 HB2 ARG B 114 11.647 -4.160 -4.783 1.00 0.00 H new ATOM 0 HB3 ARG B 114 11.382 -2.736 -3.797 1.00 0.00 H new ATOM 0 HG2 ARG B 114 12.027 -2.341 -6.710 1.00 0.00 H new ATOM 0 HG3 ARG B 114 10.431 -2.926 -6.284 1.00 0.00 H new ATOM 0 HD2 ARG B 114 9.990 -0.979 -4.912 1.00 0.00 H new ATOM 0 HD3 ARG B 114 11.657 -0.448 -5.021 1.00 0.00 H new ATOM 0 HE ARG B 114 9.583 -0.235 -7.142 1.00 0.00 H new ATOM 0 HH11 ARG B 114 12.966 0.293 -6.165 1.00 0.00 H new ATOM 0 HH12 ARG B 114 13.275 1.432 -7.479 1.00 0.00 H new ATOM 0 HH21 ARG B 114 10.000 1.294 -8.758 1.00 0.00 H new ATOM 0 HH22 ARG B 114 11.613 1.993 -8.930 1.00 0.00 H new ATOM 1912 N ASP B 115 14.266 -5.169 -4.084 1.00 0.00 N ATOM 1913 CA ASP B 115 14.856 -6.307 -3.364 1.00 0.00 C ATOM 1914 C ASP B 115 16.089 -5.898 -2.561 1.00 0.00 C ATOM 1915 O ASP B 115 16.249 -6.333 -1.437 1.00 0.00 O ATOM 1916 CB ASP B 115 15.245 -7.409 -4.356 1.00 0.00 C ATOM 1917 CG ASP B 115 14.997 -8.805 -3.822 1.00 0.00 C ATOM 1918 OD1 ASP B 115 13.831 -9.250 -3.845 1.00 0.00 O ATOM 1919 OD2 ASP B 115 15.968 -9.455 -3.385 1.00 0.00 O1- ATOM 0 H ASP B 115 14.098 -5.365 -5.071 1.00 0.00 H new ATOM 0 HA ASP B 115 14.103 -6.675 -2.667 1.00 0.00 H new ATOM 0 HB2 ASP B 115 14.681 -7.274 -5.279 1.00 0.00 H new ATOM 0 HB3 ASP B 115 16.300 -7.306 -4.609 1.00 0.00 H new ATOM 1924 N ILE B 116 16.905 -5.007 -3.145 1.00 0.00 N ATOM 1925 CA ILE B 116 18.172 -4.566 -2.547 1.00 0.00 C ATOM 1926 C ILE B 116 17.883 -3.602 -1.428 1.00 0.00 C ATOM 1927 O ILE B 116 18.534 -3.609 -0.391 1.00 0.00 O ATOM 1928 CB ILE B 116 19.172 -3.905 -3.543 1.00 0.00 C ATOM 1929 CG1 ILE B 116 18.621 -3.821 -4.978 1.00 0.00 C ATOM 1930 CG2 ILE B 116 20.486 -4.678 -3.527 1.00 0.00 C ATOM 1931 CD1 ILE B 116 19.022 -2.554 -5.710 1.00 0.00 C ATOM 0 H ILE B 116 16.704 -4.572 -4.046 1.00 0.00 H new ATOM 0 HA ILE B 116 18.661 -5.472 -2.188 1.00 0.00 H new ATOM 0 HB ILE B 116 19.333 -2.879 -3.212 1.00 0.00 H new ATOM 0 HG12 ILE B 116 18.972 -4.684 -5.544 1.00 0.00 H new ATOM 0 HG13 ILE B 116 17.533 -3.882 -4.945 1.00 0.00 H new ATOM 0 HG21 ILE B 116 21.187 -4.218 -4.223 1.00 0.00 H new ATOM 0 HG22 ILE B 116 20.907 -4.659 -2.522 1.00 0.00 H new ATOM 0 HG23 ILE B 116 20.304 -5.711 -3.825 1.00 0.00 H new ATOM 0 HD11 ILE B 116 18.598 -2.564 -6.714 1.00 0.00 H new ATOM 0 HD12 ILE B 116 18.648 -1.686 -5.167 1.00 0.00 H new ATOM 0 HD13 ILE B 116 20.109 -2.500 -5.776 1.00 0.00 H new ATOM 1943 N ASN B 117 16.896 -2.748 -1.698 1.00 0.00 N ATOM 1944 CA ASN B 117 16.428 -1.727 -0.769 1.00 0.00 C ATOM 1945 C ASN B 117 16.112 -2.318 0.622 1.00 0.00 C ATOM 1946 O ASN B 117 16.752 -1.938 1.597 1.00 0.00 O ATOM 1947 CB ASN B 117 15.203 -1.054 -1.385 1.00 0.00 C ATOM 1948 CG ASN B 117 15.452 -0.457 -2.774 1.00 0.00 C ATOM 1949 OD1 ASN B 117 14.522 -0.301 -3.564 1.00 0.00 O ATOM 1950 ND2 ASN B 117 16.705 -0.130 -3.083 1.00 0.00 N ATOM 0 H ASN B 117 16.392 -2.749 -2.585 1.00 0.00 H new ATOM 0 HA ASN B 117 17.215 -0.990 -0.609 1.00 0.00 H new ATOM 0 HB2 ASN B 117 14.396 -1.784 -1.454 1.00 0.00 H new ATOM 0 HB3 ASN B 117 14.861 -0.263 -0.717 1.00 0.00 H new ATOM 0 HD21 ASN B 117 16.918 0.264 -4.000 1.00 0.00 H new ATOM 0 HD22 ASN B 117 17.452 -0.273 -2.403 1.00 0.00 H new ATOM 1957 N GLN B 118 15.133 -3.247 0.709 1.00 0.00 N ATOM 1958 CA GLN B 118 14.796 -3.921 1.985 1.00 0.00 C ATOM 1959 C GLN B 118 15.877 -4.920 2.348 1.00 0.00 C ATOM 1960 O GLN B 118 16.226 -5.077 3.517 1.00 0.00 O ATOM 1961 CB GLN B 118 13.410 -4.587 1.938 1.00 0.00 C ATOM 1962 CG GLN B 118 13.366 -6.052 2.371 1.00 0.00 C ATOM 1963 CD GLN B 118 11.978 -6.486 2.781 1.00 0.00 C ATOM 1964 OE1 GLN B 118 11.231 -7.061 1.989 1.00 0.00 O ATOM 1965 NE2 GLN B 118 11.624 -6.194 4.025 1.00 0.00 N ATOM 0 H GLN B 118 14.565 -3.546 -0.084 1.00 0.00 H new ATOM 0 HA GLN B 118 14.749 -3.160 2.764 1.00 0.00 H new ATOM 0 HB2 GLN B 118 12.732 -4.018 2.574 1.00 0.00 H new ATOM 0 HB3 GLN B 118 13.027 -4.516 0.920 1.00 0.00 H new ATOM 0 HG2 GLN B 118 13.714 -6.681 1.552 1.00 0.00 H new ATOM 0 HG3 GLN B 118 14.053 -6.203 3.204 1.00 0.00 H new ATOM 0 HE21 GLN B 118 12.280 -5.716 4.643 1.00 0.00 H new ATOM 0 HE22 GLN B 118 10.696 -6.447 4.364 1.00 0.00 H new ATOM 1974 N LEU B 119 16.370 -5.620 1.327 1.00 0.00 N ATOM 1975 CA LEU B 119 17.431 -6.600 1.496 1.00 0.00 C ATOM 1976 C LEU B 119 18.566 -5.955 2.282 1.00 0.00 C ATOM 1977 O LEU B 119 18.935 -6.429 3.356 1.00 0.00 O ATOM 1978 CB LEU B 119 17.912 -7.035 0.115 1.00 0.00 C ATOM 1979 CG LEU B 119 18.301 -8.515 -0.035 1.00 0.00 C ATOM 1980 CD1 LEU B 119 18.296 -8.916 -1.501 1.00 0.00 C ATOM 1981 CD2 LEU B 119 19.673 -8.789 0.574 1.00 0.00 C ATOM 0 H LEU B 119 16.044 -5.521 0.366 1.00 0.00 H new ATOM 0 HA LEU B 119 17.075 -7.475 2.040 1.00 0.00 H new ATOM 0 HB2 LEU B 119 17.126 -6.813 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU B 119 18.774 -6.425 -0.155 1.00 0.00 H new ATOM 0 HG LEU B 119 17.563 -9.111 0.502 1.00 0.00 H new ATOM 0 HD11 LEU B 119 18.573 -9.966 -1.592 1.00 0.00 H new ATOM 0 HD12 LEU B 119 17.299 -8.767 -1.916 1.00 0.00 H new ATOM 0 HD13 LEU B 119 19.012 -8.303 -2.048 1.00 0.00 H new ATOM 0 HD21 LEU B 119 19.921 -9.844 0.453 1.00 0.00 H new ATOM 0 HD22 LEU B 119 20.423 -8.180 0.070 1.00 0.00 H new ATOM 0 HD23 LEU B 119 19.656 -8.540 1.635 1.00 0.00 H new ATOM 1993 N SER B 120 19.046 -4.812 1.774 1.00 0.00 N ATOM 1994 CA SER B 120 20.101 -4.058 2.444 1.00 0.00 C ATOM 1995 C SER B 120 19.563 -3.364 3.708 1.00 0.00 C ATOM 1996 O SER B 120 20.133 -3.529 4.784 1.00 0.00 O ATOM 1997 CB SER B 120 20.726 -3.027 1.498 1.00 0.00 C ATOM 1998 OG SER B 120 21.296 -3.656 0.363 1.00 0.00 O ATOM 0 H SER B 120 18.718 -4.394 0.903 1.00 0.00 H new ATOM 0 HA SER B 120 20.875 -4.765 2.741 1.00 0.00 H new ATOM 0 HB2 SER B 120 19.966 -2.314 1.179 1.00 0.00 H new ATOM 0 HB3 SER B 120 21.492 -2.461 2.027 1.00 0.00 H new ATOM 0 HG SER B 120 20.590 -3.864 -0.284 1.00 0.00 H new ATOM 2004 N GLU B 121 18.462 -2.592 3.573 1.00 0.00 N ATOM 2005 CA GLU B 121 17.883 -1.866 4.716 1.00 0.00 C ATOM 2006 C GLU B 121 17.110 -2.759 5.715 1.00 0.00 C ATOM 2007 O GLU B 121 17.554 -2.889 6.860 1.00 0.00 O ATOM 2008 CB GLU B 121 17.001 -0.705 4.218 1.00 0.00 C ATOM 2009 CG GLU B 121 16.471 0.218 5.317 1.00 0.00 C ATOM 2010 CD GLU B 121 17.539 0.663 6.312 1.00 0.00 C ATOM 2011 OE1 GLU B 121 17.943 -0.161 7.159 1.00 0.00 O1- ATOM 2012 OE2 GLU B 121 17.958 1.833 6.250 1.00 0.00 O ATOM 0 H GLU B 121 17.964 -2.459 2.693 1.00 0.00 H new ATOM 0 HA GLU B 121 18.728 -1.472 5.280 1.00 0.00 H new ATOM 0 HB2 GLU B 121 17.576 -0.109 3.509 1.00 0.00 H new ATOM 0 HB3 GLU B 121 16.154 -1.120 3.672 1.00 0.00 H new ATOM 0 HG2 GLU B 121 16.027 1.100 4.856 1.00 0.00 H new ATOM 0 HG3 GLU B 121 15.675 -0.294 5.857 1.00 0.00 H new ATOM 2019 N ALA B 122 15.960 -3.368 5.310 1.00 0.00 N ATOM 2020 CA ALA B 122 15.201 -4.246 6.227 1.00 0.00 C ATOM 2021 C ALA B 122 16.018 -5.391 6.871 1.00 0.00 C ATOM 2022 O ALA B 122 15.843 -5.653 8.065 1.00 0.00 O ATOM 2023 CB ALA B 122 13.978 -4.814 5.534 1.00 0.00 C ATOM 0 H ALA B 122 15.553 -3.268 4.380 1.00 0.00 H new ATOM 0 HA ALA B 122 14.908 -3.596 7.051 1.00 0.00 H new ATOM 0 HB1 ALA B 122 13.434 -5.457 6.226 1.00 0.00 H new ATOM 0 HB2 ALA B 122 13.331 -3.998 5.211 1.00 0.00 H new ATOM 0 HB3 ALA B 122 14.289 -5.396 4.666 1.00 0.00 H new ATOM 2029 N LEU B 123 16.907 -6.071 6.108 1.00 0.00 N ATOM 2030 CA LEU B 123 17.687 -7.199 6.665 1.00 0.00 C ATOM 2031 C LEU B 123 18.787 -6.746 7.643 1.00 0.00 C ATOM 2032 O LEU B 123 18.979 -7.374 8.686 1.00 0.00 O ATOM 2033 CB LEU B 123 18.295 -8.049 5.541 1.00 0.00 C ATOM 2034 CG LEU B 123 18.605 -9.512 5.898 1.00 0.00 C ATOM 2035 CD1 LEU B 123 17.378 -10.394 5.698 1.00 0.00 C ATOM 2036 CD2 LEU B 123 19.771 -10.025 5.067 1.00 0.00 C ATOM 0 H LEU B 123 17.098 -5.864 5.128 1.00 0.00 H new ATOM 0 HA LEU B 123 16.983 -7.805 7.236 1.00 0.00 H new ATOM 0 HB2 LEU B 123 17.610 -8.039 4.693 1.00 0.00 H new ATOM 0 HB3 LEU B 123 19.218 -7.573 5.210 1.00 0.00 H new ATOM 0 HG LEU B 123 18.883 -9.553 6.951 1.00 0.00 H new ATOM 0 HD11 LEU B 123 17.624 -11.424 5.957 1.00 0.00 H new ATOM 0 HD12 LEU B 123 16.569 -10.042 6.338 1.00 0.00 H new ATOM 0 HD13 LEU B 123 17.063 -10.348 4.656 1.00 0.00 H new ATOM 0 HD21 LEU B 123 19.978 -11.062 5.332 1.00 0.00 H new ATOM 0 HD22 LEU B 123 19.518 -9.964 4.009 1.00 0.00 H new ATOM 0 HD23 LEU B 123 20.654 -9.417 5.265 1.00 0.00 H new ATOM 2048 N LEU B 124 19.500 -5.659 7.303 1.00 0.00 N ATOM 2049 CA LEU B 124 20.589 -5.131 8.151 1.00 0.00 C ATOM 2050 C LEU B 124 20.082 -4.627 9.508 1.00 0.00 C ATOM 2051 O LEU B 124 20.719 -4.861 10.538 1.00 0.00 O ATOM 2052 CB LEU B 124 21.341 -4.002 7.430 1.00 0.00 C ATOM 2053 CG LEU B 124 22.738 -4.359 6.898 1.00 0.00 C ATOM 2054 CD1 LEU B 124 22.651 -5.092 5.563 1.00 0.00 C ATOM 2055 CD2 LEU B 124 23.585 -3.103 6.757 1.00 0.00 C ATOM 0 H LEU B 124 19.344 -5.127 6.447 1.00 0.00 H new ATOM 0 HA LEU B 124 21.269 -5.962 8.337 1.00 0.00 H new ATOM 0 HB2 LEU B 124 20.731 -3.662 6.593 1.00 0.00 H new ATOM 0 HB3 LEU B 124 21.439 -3.161 8.116 1.00 0.00 H new ATOM 0 HG LEU B 124 23.212 -5.027 7.617 1.00 0.00 H new ATOM 0 HD11 LEU B 124 23.655 -5.331 5.213 1.00 0.00 H new ATOM 0 HD12 LEU B 124 22.082 -6.013 5.690 1.00 0.00 H new ATOM 0 HD13 LEU B 124 22.153 -4.456 4.831 1.00 0.00 H new ATOM 0 HD21 LEU B 124 24.572 -3.370 6.379 1.00 0.00 H new ATOM 0 HD22 LEU B 124 23.104 -2.416 6.061 1.00 0.00 H new ATOM 0 HD23 LEU B 124 23.687 -2.622 7.730 1.00 0.00 H new ATOM 2067 N SER B 125 18.932 -3.935 9.494 1.00 0.00 N ATOM 2068 CA SER B 125 18.318 -3.381 10.713 1.00 0.00 C ATOM 2069 C SER B 125 17.880 -4.481 11.692 1.00 0.00 C ATOM 2070 O SER B 125 18.070 -4.345 12.904 1.00 0.00 O ATOM 2071 CB SER B 125 17.122 -2.500 10.347 1.00 0.00 C ATOM 2072 OG SER B 125 17.522 -1.411 9.534 1.00 0.00 O ATOM 0 H SER B 125 18.403 -3.744 8.643 1.00 0.00 H new ATOM 0 HA SER B 125 19.076 -2.779 11.214 1.00 0.00 H new ATOM 0 HB2 SER B 125 16.375 -3.095 9.822 1.00 0.00 H new ATOM 0 HB3 SER B 125 16.650 -2.126 11.256 1.00 0.00 H new ATOM 0 HG SER B 125 17.544 -1.694 8.596 1.00 0.00 H new ATOM 2078 N LEU B 126 17.295 -5.564 11.153 1.00 0.00 N ATOM 2079 CA LEU B 126 16.823 -6.698 11.965 1.00 0.00 C ATOM 2080 C LEU B 126 17.982 -7.538 12.520 1.00 0.00 C ATOM 2081 O LEU B 126 17.954 -7.942 13.686 1.00 0.00 O ATOM 2082 CB LEU B 126 15.883 -7.590 11.140 1.00 0.00 C ATOM 2083 CG LEU B 126 14.517 -6.980 10.795 1.00 0.00 C ATOM 2084 CD1 LEU B 126 13.968 -7.599 9.520 1.00 0.00 C ATOM 2085 CD2 LEU B 126 13.530 -7.174 11.941 1.00 0.00 C ATOM 0 H LEU B 126 17.137 -5.678 10.152 1.00 0.00 H new ATOM 0 HA LEU B 126 16.282 -6.280 12.814 1.00 0.00 H new ATOM 0 HB2 LEU B 126 16.387 -7.855 10.211 1.00 0.00 H new ATOM 0 HB3 LEU B 126 15.718 -8.517 11.689 1.00 0.00 H new ATOM 0 HG LEU B 126 14.653 -5.910 10.637 1.00 0.00 H new ATOM 0 HD11 LEU B 126 12.999 -7.156 9.289 1.00 0.00 H new ATOM 0 HD12 LEU B 126 14.659 -7.411 8.698 1.00 0.00 H new ATOM 0 HD13 LEU B 126 13.852 -8.674 9.658 1.00 0.00 H new ATOM 0 HD21 LEU B 126 12.570 -6.733 11.673 1.00 0.00 H new ATOM 0 HD22 LEU B 126 13.400 -8.239 12.133 1.00 0.00 H new ATOM 0 HD23 LEU B 126 13.914 -6.688 12.838 1.00 0.00 H new ATOM 2097 N ASN B 127 18.997 -7.794 11.676 1.00 0.00 N ATOM 2098 CA ASN B 127 20.173 -8.588 12.069 1.00 0.00 C ATOM 2099 C ASN B 127 21.095 -7.814 13.024 1.00 0.00 C ATOM 2100 O ASN B 127 21.398 -8.294 14.120 1.00 0.00 O ATOM 2101 CB ASN B 127 20.950 -9.044 10.827 1.00 0.00 C ATOM 2102 CG ASN B 127 20.249 -10.165 10.083 1.00 0.00 C ATOM 2103 OD1 ASN B 127 19.434 -9.922 9.193 1.00 0.00 O ATOM 2104 ND2 ASN B 127 20.566 -11.403 10.445 1.00 0.00 N ATOM 0 H ASN B 127 19.025 -7.460 10.713 1.00 0.00 H new ATOM 0 HA ASN B 127 19.811 -9.466 12.604 1.00 0.00 H new ATOM 0 HB2 ASN B 127 21.086 -8.196 10.156 1.00 0.00 H new ATOM 0 HB3 ASN B 127 21.944 -9.377 11.126 1.00 0.00 H new ATOM 0 HD21 ASN B 127 20.128 -12.198 9.980 1.00 0.00 H new ATOM 0 HD22 ASN B 127 21.247 -11.558 11.188 1.00 0.00 H new ATOM 2111 N PHE B 128 21.534 -6.617 12.596 1.00 0.00 N ATOM 2112 CA PHE B 128 22.419 -5.762 13.400 1.00 0.00 C ATOM 2113 C PHE B 128 21.673 -5.118 14.575 1.00 0.00 C ATOM 2114 O PHE B 128 22.056 -5.386 15.733 1.00 0.00 O ATOM 2115 CB PHE B 128 23.061 -4.683 12.521 1.00 0.00 C ATOM 2116 CG PHE B 128 24.162 -5.201 11.638 1.00 0.00 C ATOM 2117 CD1 PHE B 128 23.881 -5.704 10.377 1.00 0.00 C ATOM 2118 CD2 PHE B 128 25.479 -5.184 12.069 1.00 0.00 C ATOM 2119 CE1 PHE B 128 24.893 -6.180 9.564 1.00 0.00 C ATOM 2120 CE2 PHE B 128 26.494 -5.658 11.262 1.00 0.00 C ATOM 2121 CZ PHE B 128 26.201 -6.157 10.007 1.00 0.00 C ATOM 2122 OXT PHE B 128 20.708 -4.362 14.326 1.00 0.00 O1- ATOM 0 H PHE B 128 21.286 -6.219 11.690 1.00 0.00 H new ATOM 0 HA PHE B 128 23.202 -6.396 13.815 1.00 0.00 H new ATOM 0 HB2 PHE B 128 22.291 -4.228 11.898 1.00 0.00 H new ATOM 0 HB3 PHE B 128 23.460 -3.895 13.160 1.00 0.00 H new ATOM 0 HD1 PHE B 128 22.860 -5.724 10.026 1.00 0.00 H new ATOM 0 HD2 PHE B 128 25.714 -4.795 13.049 1.00 0.00 H new ATOM 0 HE1 PHE B 128 24.661 -6.569 8.584 1.00 0.00 H new ATOM 0 HE2 PHE B 128 27.516 -5.639 11.611 1.00 0.00 H new ATOM 0 HZ PHE B 128 26.993 -6.528 9.374 1.00 0.00 H new TER 2132 PHE B 128