USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 820 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 THR OG1 : rot -72:sc= 0.715 USER MOD Set 1.2: A 103 ASN : amide:sc= -2.34 K(o=-1.6,f=-0.22) USER MOD Set 2.1: A 52 ASN : amide:sc= -0.609 K(o=-0.61,f=-3.9!) USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 39 LYS NZ :NH3+ -143:sc= 1.08 (180deg=-0.147) USER MOD Set 3.2: A 58 THR OG1 : rot 180:sc= 0.924 USER MOD Set 4.1: A 31 ASN : amide:sc= -7.03! K(o=-13!,f=-6.2) USER MOD Set 4.2: A 33 HIS : no HD1:sc= -6.11! C(o=-13!,f=-13!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0822) USER MOD Single : A 12 GLN : amide:sc= -1.93! C(o=-1.9!,f=-2.9!) USER MOD Single : A 13 LYS NZ :NH3+ -148:sc= -0.149 (180deg=-1.02) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0646 USER MOD Single : A 16 GLN : amide:sc= -0.801 K(o=-0.8,f=1.9) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0105 USER MOD Single : A 18 HIS : no HD1:sc= -4.51! C(o=-4.5!,f=-6.5!) USER MOD Single : A 19 THR OG1 : rot -147:sc= 0.496 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -158:sc= 0.124 (180deg=0.0363) USER MOD Single : A 26 HIS : no HD1:sc= -0.696 X(o=-0.7,f=-0.66) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -140:sc= -1.09 USER MOD Single : A 42 GLN : amide:sc= -2.15 X(o=-2.2,f=-1.9!) USER MOD Single : A 47 THR OG1 : rot 35:sc= 0.0819 USER MOD Single : A 48 TYR OH : rot 15:sc= -0.376 USER MOD Single : A 49 THR OG1 : rot 130:sc= -0.349 USER MOD Single : A 53 LYS NZ :NH3+ -161:sc= -0.0141 (180deg=-0.527) USER MOD Single : A 54 ASN : amide:sc= -10.4! C(o=-10!,f=-4.4!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 92:sc= -2.5! USER MOD Single : A 65 MET CE :methyl 177:sc= 0 (180deg=-0.00717) USER MOD Single : A 67 TYR OH : rot 40:sc= 1.03 USER MOD Single : A 70 ASN : amide:sc= -11.4! C(o=-11!,f=-16!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.073) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -161:sc=-0.00958 (180deg=-0.25) USER MOD Single : A 80 MET CE :methyl 145:sc= 0 (180deg=-0.116) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.092) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 147:sc= 0.0575 USER MOD Single : A 99 LYS NZ :NH3+ -139:sc= 0.848 (180deg=-0.495) USER MOD Single : A 100 LYS NZ :NH3+ -145:sc= -0.48 (180deg=-0.986) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 74.517 8.404 -8.962 1.00 0.00 N ATOM 11 CA ASP A 2 73.916 7.597 -10.022 1.00 0.00 C ATOM 12 C ASP A 2 74.309 6.134 -9.872 1.00 0.00 C ATOM 13 O ASP A 2 75.298 5.683 -10.450 1.00 0.00 O ATOM 14 CB ASP A 2 74.368 8.108 -11.389 1.00 0.00 C ATOM 15 CG ASP A 2 73.812 9.507 -11.632 1.00 0.00 C ATOM 16 OD1 ASP A 2 74.371 10.448 -11.094 1.00 0.00 O ATOM 17 OD2 ASP A 2 72.833 9.617 -12.353 1.00 0.00 O1- ATOM 0 HA ASP A 2 72.832 7.681 -9.942 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.457 8.127 -11.438 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.026 7.431 -12.171 1.00 0.00 H new ATOM 22 N VAL A 3 73.521 5.396 -9.101 1.00 0.00 N ATOM 23 CA VAL A 3 73.783 3.981 -8.885 1.00 0.00 C ATOM 24 C VAL A 3 74.129 3.296 -10.204 1.00 0.00 C ATOM 25 O VAL A 3 74.711 2.211 -10.216 1.00 0.00 O ATOM 26 CB VAL A 3 72.549 3.318 -8.266 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.320 3.628 -9.123 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.757 1.803 -8.202 1.00 0.00 C ATOM 0 H VAL A 3 72.698 5.753 -8.616 1.00 0.00 H new ATOM 0 HA VAL A 3 74.630 3.880 -8.206 1.00 0.00 H new ATOM 0 HB VAL A 3 72.398 3.705 -7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.441 3.156 -8.683 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.169 4.707 -9.166 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.473 3.242 -10.131 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.878 1.333 -7.761 1.00 0.00 H new ATOM 0 HG22 VAL A 3 72.910 1.414 -9.209 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.632 1.581 -7.591 1.00 0.00 H new ATOM 38 N GLU A 4 73.767 3.935 -11.312 1.00 0.00 N ATOM 39 CA GLU A 4 74.047 3.370 -12.628 1.00 0.00 C ATOM 40 C GLU A 4 75.532 3.482 -12.956 1.00 0.00 C ATOM 41 O GLU A 4 76.205 2.475 -13.188 1.00 0.00 O ATOM 42 CB GLU A 4 73.230 4.099 -13.696 1.00 0.00 C ATOM 43 CG GLU A 4 71.773 4.205 -13.238 1.00 0.00 C ATOM 44 CD GLU A 4 70.894 4.656 -14.399 1.00 0.00 C ATOM 45 OE1 GLU A 4 71.255 4.379 -15.531 1.00 0.00 O1- ATOM 46 OE2 GLU A 4 69.873 5.270 -14.138 1.00 0.00 O ATOM 0 H GLU A 4 73.285 4.834 -11.326 1.00 0.00 H new ATOM 0 HA GLU A 4 73.768 2.316 -12.615 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.642 5.093 -13.869 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.287 3.562 -14.643 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.429 3.240 -12.864 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.693 4.913 -12.414 1.00 0.00 H new ATOM 53 N LYS A 5 76.044 4.707 -12.963 1.00 0.00 N ATOM 54 CA LYS A 5 77.453 4.925 -13.254 1.00 0.00 C ATOM 55 C LYS A 5 78.299 4.455 -12.080 1.00 0.00 C ATOM 56 O LYS A 5 79.492 4.185 -12.229 1.00 0.00 O ATOM 57 CB LYS A 5 77.713 6.411 -13.532 1.00 0.00 C ATOM 58 CG LYS A 5 77.402 6.724 -15.002 1.00 0.00 C ATOM 59 CD LYS A 5 77.079 8.216 -15.161 1.00 0.00 C ATOM 60 CE LYS A 5 75.586 8.451 -14.912 1.00 0.00 C ATOM 61 NZ LYS A 5 75.355 9.890 -14.603 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.510 5.555 -12.773 1.00 0.00 H new ATOM 0 HA LYS A 5 77.725 4.353 -14.141 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.093 7.027 -12.880 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.752 6.656 -13.310 1.00 0.00 H new ATOM 0 HG2 LYS A 5 78.254 6.459 -15.628 1.00 0.00 H new ATOM 0 HG3 LYS A 5 76.559 6.122 -15.341 1.00 0.00 H new ATOM 0 HD2 LYS A 5 77.671 8.803 -14.459 1.00 0.00 H new ATOM 0 HD3 LYS A 5 77.348 8.551 -16.163 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.010 8.159 -15.790 1.00 0.00 H new ATOM 0 HE3 LYS A 5 75.242 7.830 -14.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 74.341 10.050 -14.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 75.894 10.153 -13.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 75.668 10.472 -15.406 1.00 0.00 H new ATOM 75 N GLY A 6 77.668 4.334 -10.919 1.00 0.00 N ATOM 76 CA GLY A 6 78.370 3.866 -9.735 1.00 0.00 C ATOM 77 C GLY A 6 78.683 2.389 -9.898 1.00 0.00 C ATOM 78 O GLY A 6 79.743 1.910 -9.490 1.00 0.00 O ATOM 0 H GLY A 6 76.682 4.551 -10.774 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.290 4.433 -9.594 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.758 4.026 -8.847 1.00 0.00 H new ATOM 82 N LYS A 7 77.751 1.679 -10.524 1.00 0.00 N ATOM 83 CA LYS A 7 77.923 0.259 -10.772 1.00 0.00 C ATOM 84 C LYS A 7 79.049 0.043 -11.776 1.00 0.00 C ATOM 85 O LYS A 7 79.884 -0.841 -11.604 1.00 0.00 O ATOM 86 CB LYS A 7 76.624 -0.337 -11.318 1.00 0.00 C ATOM 87 CG LYS A 7 76.766 -1.856 -11.438 1.00 0.00 C ATOM 88 CD LYS A 7 75.493 -2.450 -12.055 1.00 0.00 C ATOM 89 CE LYS A 7 75.581 -2.397 -13.583 1.00 0.00 C ATOM 90 NZ LYS A 7 74.372 -3.037 -14.172 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.872 2.066 -10.867 1.00 0.00 H new ATOM 0 HA LYS A 7 78.177 -0.237 -9.835 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.793 -0.091 -10.657 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.395 0.095 -12.292 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.630 -2.102 -12.056 1.00 0.00 H new ATOM 0 HG3 LYS A 7 76.943 -2.293 -10.455 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.365 -3.481 -11.725 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.619 -1.895 -11.713 1.00 0.00 H new ATOM 0 HE2 LYS A 7 75.658 -1.363 -13.918 1.00 0.00 H new ATOM 0 HE3 LYS A 7 76.480 -2.910 -13.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 74.431 -3.001 -15.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.318 -4.028 -13.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 73.521 -2.529 -13.856 1.00 0.00 H new ATOM 104 N LYS A 8 79.068 0.865 -12.824 1.00 0.00 N ATOM 105 CA LYS A 8 80.104 0.753 -13.845 1.00 0.00 C ATOM 106 C LYS A 8 81.491 0.904 -13.221 1.00 0.00 C ATOM 107 O LYS A 8 82.399 0.113 -13.488 1.00 0.00 O ATOM 108 CB LYS A 8 79.901 1.831 -14.914 1.00 0.00 C ATOM 109 CG LYS A 8 81.062 1.796 -15.922 1.00 0.00 C ATOM 110 CD LYS A 8 82.058 2.922 -15.618 1.00 0.00 C ATOM 111 CE LYS A 8 81.553 4.237 -16.220 1.00 0.00 C ATOM 112 NZ LYS A 8 82.176 5.385 -15.502 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.386 1.606 -12.986 1.00 0.00 H new ATOM 0 HA LYS A 8 80.031 -0.233 -14.305 1.00 0.00 H new ATOM 0 HB2 LYS A 8 78.955 1.669 -15.431 1.00 0.00 H new ATOM 0 HB3 LYS A 8 79.845 2.814 -14.446 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.566 0.831 -15.874 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.677 1.904 -16.936 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.183 3.029 -14.540 1.00 0.00 H new ATOM 0 HD3 LYS A 8 83.037 2.675 -16.029 1.00 0.00 H new ATOM 0 HE2 LYS A 8 81.799 4.281 -17.281 1.00 0.00 H new ATOM 0 HE3 LYS A 8 80.467 4.292 -16.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 81.999 6.263 -16.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 81.764 5.465 -14.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 83.201 5.230 -15.423 1.00 0.00 H new ATOM 126 N ILE A 9 81.646 1.929 -12.389 1.00 0.00 N ATOM 127 CA ILE A 9 82.922 2.185 -11.734 1.00 0.00 C ATOM 128 C ILE A 9 83.264 1.071 -10.750 1.00 0.00 C ATOM 129 O ILE A 9 84.426 0.872 -10.404 1.00 0.00 O ATOM 130 CB ILE A 9 82.859 3.515 -10.983 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.599 4.653 -11.973 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.188 3.756 -10.266 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.173 5.907 -11.206 1.00 0.00 C ATOM 0 H ILE A 9 80.908 2.592 -12.154 1.00 0.00 H new ATOM 0 HA ILE A 9 83.696 2.225 -12.501 1.00 0.00 H new ATOM 0 HB ILE A 9 82.051 3.481 -10.252 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.498 4.857 -12.554 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.821 4.364 -12.680 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.145 4.704 -9.730 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.372 2.947 -9.559 1.00 0.00 H new ATOM 0 HG23 ILE A 9 84.995 3.789 -10.998 1.00 0.00 H new ATOM 0 HD11 ILE A 9 81.987 6.718 -11.910 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.262 5.698 -10.645 1.00 0.00 H new ATOM 0 HD13 ILE A 9 82.965 6.199 -10.517 1.00 0.00 H new ATOM 145 N PHE A 10 82.243 0.360 -10.289 1.00 0.00 N ATOM 146 CA PHE A 10 82.452 -0.718 -9.326 1.00 0.00 C ATOM 147 C PHE A 10 82.896 -2.013 -10.013 1.00 0.00 C ATOM 148 O PHE A 10 83.893 -2.616 -9.622 1.00 0.00 O ATOM 149 CB PHE A 10 81.153 -0.969 -8.545 1.00 0.00 C ATOM 150 CG PHE A 10 81.131 -2.393 -8.041 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.629 -3.412 -8.857 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.626 -2.694 -6.770 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.626 -4.736 -8.403 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.621 -4.018 -6.312 1.00 0.00 C ATOM 155 CZ PHE A 10 81.122 -5.039 -7.132 1.00 0.00 C ATOM 0 H PHE A 10 81.271 0.506 -10.562 1.00 0.00 H new ATOM 0 HA PHE A 10 83.246 -0.410 -8.645 1.00 0.00 H new ATOM 0 HB2 PHE A 10 81.081 -0.275 -7.707 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.290 -0.786 -9.186 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.243 -3.177 -9.838 1.00 0.00 H new ATOM 0 HD2 PHE A 10 82.013 -1.906 -6.140 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.241 -5.523 -9.034 1.00 0.00 H new ATOM 0 HE2 PHE A 10 82.001 -4.251 -5.328 1.00 0.00 H new ATOM 0 HZ PHE A 10 81.121 -6.061 -6.782 1.00 0.00 H new ATOM 165 N VAL A 11 82.141 -2.441 -11.020 1.00 0.00 N ATOM 166 CA VAL A 11 82.455 -3.679 -11.732 1.00 0.00 C ATOM 167 C VAL A 11 83.874 -3.665 -12.273 1.00 0.00 C ATOM 168 O VAL A 11 84.508 -4.711 -12.409 1.00 0.00 O ATOM 169 CB VAL A 11 81.488 -3.883 -12.898 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.069 -4.057 -12.367 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.538 -2.662 -13.816 1.00 0.00 C ATOM 0 H VAL A 11 81.312 -1.954 -11.361 1.00 0.00 H new ATOM 0 HA VAL A 11 82.357 -4.496 -11.017 1.00 0.00 H new ATOM 0 HB VAL A 11 81.777 -4.775 -13.454 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.383 -4.202 -13.202 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.030 -4.926 -11.710 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.778 -3.167 -11.809 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.849 -2.804 -14.649 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.250 -1.773 -13.255 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.550 -2.537 -14.200 1.00 0.00 H new ATOM 181 N GLN A 12 84.358 -2.483 -12.612 1.00 0.00 N ATOM 182 CA GLN A 12 85.699 -2.366 -13.174 1.00 0.00 C ATOM 183 C GLN A 12 86.748 -2.035 -12.113 1.00 0.00 C ATOM 184 O GLN A 12 87.929 -2.327 -12.300 1.00 0.00 O ATOM 185 CB GLN A 12 85.709 -1.282 -14.248 1.00 0.00 C ATOM 186 CG GLN A 12 85.513 0.091 -13.602 1.00 0.00 C ATOM 187 CD GLN A 12 85.303 1.137 -14.689 1.00 0.00 C ATOM 188 OE1 GLN A 12 85.032 2.301 -14.393 1.00 0.00 O ATOM 189 NE2 GLN A 12 85.414 0.786 -15.940 1.00 0.00 N ATOM 0 H GLN A 12 83.855 -1.601 -12.512 1.00 0.00 H new ATOM 0 HA GLN A 12 85.958 -3.334 -13.603 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.653 -1.306 -14.793 1.00 0.00 H new ATOM 0 HB3 GLN A 12 84.917 -1.469 -14.973 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.654 0.070 -12.931 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.383 0.348 -12.998 1.00 0.00 H new ATOM 0 HE21 GLN A 12 85.639 -0.179 -16.181 1.00 0.00 H new ATOM 0 HE22 GLN A 12 85.276 1.477 -16.678 1.00 0.00 H new ATOM 198 N LYS A 13 86.335 -1.391 -11.023 1.00 0.00 N ATOM 199 CA LYS A 13 87.293 -0.998 -9.986 1.00 0.00 C ATOM 200 C LYS A 13 87.298 -1.916 -8.756 1.00 0.00 C ATOM 201 O LYS A 13 88.318 -2.531 -8.450 1.00 0.00 O ATOM 202 CB LYS A 13 87.006 0.441 -9.546 1.00 0.00 C ATOM 203 CG LYS A 13 88.272 1.064 -8.943 1.00 0.00 C ATOM 204 CD LYS A 13 88.079 2.578 -8.787 1.00 0.00 C ATOM 205 CE LYS A 13 88.517 3.291 -10.069 1.00 0.00 C ATOM 206 NZ LYS A 13 89.982 3.098 -10.270 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.366 -1.134 -10.835 1.00 0.00 H new ATOM 0 HA LYS A 13 88.282 -1.084 -10.436 1.00 0.00 H new ATOM 0 HB2 LYS A 13 86.670 1.031 -10.399 1.00 0.00 H new ATOM 0 HB3 LYS A 13 86.200 0.453 -8.813 1.00 0.00 H new ATOM 0 HG2 LYS A 13 88.485 0.613 -7.974 1.00 0.00 H new ATOM 0 HG3 LYS A 13 89.130 0.861 -9.584 1.00 0.00 H new ATOM 0 HD2 LYS A 13 87.033 2.801 -8.575 1.00 0.00 H new ATOM 0 HD3 LYS A 13 88.660 2.943 -7.940 1.00 0.00 H new ATOM 0 HE2 LYS A 13 87.967 2.896 -10.923 1.00 0.00 H new ATOM 0 HE3 LYS A 13 88.285 4.354 -10.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 90.381 3.934 -10.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 90.445 2.968 -9.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 90.144 2.257 -10.860 1.00 0.00 H new ATOM 220 N CYS A 14 86.190 -1.956 -8.016 1.00 0.00 N ATOM 221 CA CYS A 14 86.137 -2.747 -6.778 1.00 0.00 C ATOM 222 C CYS A 14 85.856 -4.234 -7.002 1.00 0.00 C ATOM 223 O CYS A 14 86.382 -5.076 -6.274 1.00 0.00 O ATOM 224 CB CYS A 14 85.080 -2.164 -5.835 1.00 0.00 C ATOM 225 SG CYS A 14 85.012 -0.357 -6.014 1.00 0.00 S ATOM 0 H CYS A 14 85.328 -1.460 -8.243 1.00 0.00 H new ATOM 0 HA CYS A 14 87.131 -2.684 -6.335 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.105 -2.596 -6.058 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.317 -2.426 -4.804 1.00 0.00 H new ATOM 0 HG CYS A 14 84.110 0.125 -5.211 1.00 0.00 H new ATOM 230 N ALA A 15 85.027 -4.566 -7.977 1.00 0.00 N ATOM 231 CA ALA A 15 84.704 -5.969 -8.225 1.00 0.00 C ATOM 232 C ALA A 15 85.973 -6.818 -8.274 1.00 0.00 C ATOM 233 O ALA A 15 85.942 -8.015 -7.986 1.00 0.00 O ATOM 234 CB ALA A 15 83.942 -6.105 -9.543 1.00 0.00 C ATOM 0 H ALA A 15 84.571 -3.901 -8.601 1.00 0.00 H new ATOM 0 HA ALA A 15 84.079 -6.326 -7.406 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.705 -7.154 -9.720 1.00 0.00 H new ATOM 0 HB2 ALA A 15 83.018 -5.529 -9.490 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.558 -5.729 -10.360 1.00 0.00 H new ATOM 240 N GLN A 16 87.084 -6.194 -8.645 1.00 0.00 N ATOM 241 CA GLN A 16 88.357 -6.903 -8.739 1.00 0.00 C ATOM 242 C GLN A 16 88.610 -7.771 -7.504 1.00 0.00 C ATOM 243 O GLN A 16 88.774 -8.986 -7.622 1.00 0.00 O ATOM 244 CB GLN A 16 89.502 -5.899 -8.902 1.00 0.00 C ATOM 245 CG GLN A 16 89.553 -5.407 -10.350 1.00 0.00 C ATOM 246 CD GLN A 16 90.717 -4.437 -10.530 1.00 0.00 C ATOM 247 OE1 GLN A 16 90.744 -3.376 -9.907 1.00 0.00 O ATOM 248 NE2 GLN A 16 91.684 -4.740 -11.351 1.00 0.00 N ATOM 0 H GLN A 16 87.131 -5.204 -8.885 1.00 0.00 H new ATOM 0 HA GLN A 16 88.310 -7.557 -9.610 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.359 -5.056 -8.226 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.449 -6.366 -8.633 1.00 0.00 H new ATOM 0 HG2 GLN A 16 89.666 -6.254 -11.027 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.615 -4.915 -10.609 1.00 0.00 H new ATOM 0 HE21 GLN A 16 91.659 -5.620 -11.866 1.00 0.00 H new ATOM 0 HE22 GLN A 16 92.465 -4.097 -11.478 1.00 0.00 H new ATOM 257 N CYS A 17 88.659 -7.148 -6.325 1.00 0.00 N ATOM 258 CA CYS A 17 88.917 -7.891 -5.088 1.00 0.00 C ATOM 259 C CYS A 17 87.816 -7.659 -4.050 1.00 0.00 C ATOM 260 O CYS A 17 88.103 -7.334 -2.898 1.00 0.00 O ATOM 261 CB CYS A 17 90.277 -7.473 -4.497 1.00 0.00 C ATOM 262 SG CYS A 17 91.291 -6.687 -5.776 1.00 0.00 S ATOM 0 H CYS A 17 88.526 -6.145 -6.200 1.00 0.00 H new ATOM 0 HA CYS A 17 88.931 -8.952 -5.337 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.126 -6.784 -3.666 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.793 -8.346 -4.097 1.00 0.00 H new ATOM 0 HG CYS A 17 92.435 -6.336 -5.268 1.00 0.00 H new ATOM 267 N HIS A 18 86.560 -7.837 -4.450 1.00 0.00 N ATOM 268 CA HIS A 18 85.447 -7.648 -3.518 1.00 0.00 C ATOM 269 C HIS A 18 84.196 -8.382 -3.997 1.00 0.00 C ATOM 270 O HIS A 18 84.218 -9.073 -5.016 1.00 0.00 O ATOM 271 CB HIS A 18 85.134 -6.158 -3.361 1.00 0.00 C ATOM 272 CG HIS A 18 86.151 -5.507 -2.461 1.00 0.00 C ATOM 273 ND1 HIS A 18 86.731 -6.167 -1.383 1.00 0.00 N ATOM 274 CD2 HIS A 18 86.695 -4.250 -2.464 1.00 0.00 C ATOM 275 CE1 HIS A 18 87.582 -5.304 -0.792 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.595 -4.125 -1.414 1.00 0.00 N ATOM 0 H HIS A 18 86.288 -8.107 -5.395 1.00 0.00 H new ATOM 0 HA HIS A 18 85.746 -8.061 -2.555 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.138 -5.673 -4.337 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.135 -6.030 -2.945 1.00 0.00 H new ATOM 0 HD2 HIS A 18 86.459 -3.473 -3.176 1.00 0.00 H new ATOM 0 HE1 HIS A 18 88.179 -5.539 0.077 1.00 0.00 H new ATOM 0 HE2 HIS A 18 88.149 -3.304 -1.170 1.00 0.00 H new ATOM 284 N THR A 19 83.106 -8.225 -3.246 1.00 0.00 N ATOM 285 CA THR A 19 81.842 -8.874 -3.582 1.00 0.00 C ATOM 286 C THR A 19 80.672 -7.909 -3.367 1.00 0.00 C ATOM 287 O THR A 19 79.736 -7.860 -4.165 1.00 0.00 O ATOM 288 CB THR A 19 81.662 -10.116 -2.704 1.00 0.00 C ATOM 289 OG1 THR A 19 82.937 -10.677 -2.423 1.00 0.00 O ATOM 290 CG2 THR A 19 80.808 -11.146 -3.436 1.00 0.00 C ATOM 0 H THR A 19 83.074 -7.654 -2.401 1.00 0.00 H new ATOM 0 HA THR A 19 81.859 -9.167 -4.632 1.00 0.00 H new ATOM 0 HB THR A 19 81.168 -9.834 -1.774 1.00 0.00 H new ATOM 0 HG1 THR A 19 82.857 -11.651 -2.349 1.00 0.00 H new ATOM 0 HG21 THR A 19 80.683 -12.028 -2.807 1.00 0.00 H new ATOM 0 HG22 THR A 19 79.831 -10.717 -3.658 1.00 0.00 H new ATOM 0 HG23 THR A 19 81.299 -11.431 -4.367 1.00 0.00 H new ATOM 298 N VAL A 20 80.751 -7.141 -2.284 1.00 0.00 N ATOM 299 CA VAL A 20 79.723 -6.156 -1.945 1.00 0.00 C ATOM 300 C VAL A 20 78.308 -6.704 -2.119 1.00 0.00 C ATOM 301 O VAL A 20 77.392 -5.960 -2.469 1.00 0.00 O ATOM 302 CB VAL A 20 79.899 -4.894 -2.796 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.341 -4.398 -2.681 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.592 -5.200 -4.261 1.00 0.00 C ATOM 0 H VAL A 20 81.523 -7.181 -1.619 1.00 0.00 H new ATOM 0 HA VAL A 20 79.851 -5.912 -0.890 1.00 0.00 H new ATOM 0 HB VAL A 20 79.212 -4.128 -2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.466 -3.500 -3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.564 -4.167 -1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 20 82.021 -5.172 -3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.720 -4.296 -4.856 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.272 -5.972 -4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.564 -5.551 -4.352 1.00 0.00 H new ATOM 314 N GLU A 21 78.121 -7.995 -1.859 1.00 0.00 N ATOM 315 CA GLU A 21 76.794 -8.599 -1.983 1.00 0.00 C ATOM 316 C GLU A 21 76.476 -9.451 -0.755 1.00 0.00 C ATOM 317 O GLU A 21 77.163 -10.431 -0.469 1.00 0.00 O ATOM 318 CB GLU A 21 76.712 -9.452 -3.257 1.00 0.00 C ATOM 319 CG GLU A 21 77.395 -10.801 -3.035 1.00 0.00 C ATOM 320 CD GLU A 21 77.674 -11.473 -4.375 1.00 0.00 C ATOM 321 OE1 GLU A 21 77.316 -10.897 -5.389 1.00 0.00 O ATOM 322 OE2 GLU A 21 78.241 -12.553 -4.368 1.00 0.00 O1- ATOM 0 H GLU A 21 78.858 -8.636 -1.565 1.00 0.00 H new ATOM 0 HA GLU A 21 76.057 -7.799 -2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 21 75.669 -9.606 -3.534 1.00 0.00 H new ATOM 0 HB3 GLU A 21 77.188 -8.927 -4.086 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.328 -10.660 -2.489 1.00 0.00 H new ATOM 0 HG3 GLU A 21 76.761 -11.442 -2.423 1.00 0.00 H new ATOM 329 N LYS A 22 75.431 -9.062 -0.033 1.00 0.00 N ATOM 330 CA LYS A 22 75.028 -9.788 1.168 1.00 0.00 C ATOM 331 C LYS A 22 74.853 -11.273 0.865 1.00 0.00 C ATOM 332 O LYS A 22 74.230 -11.646 -0.130 1.00 0.00 O ATOM 333 CB LYS A 22 73.710 -9.216 1.703 1.00 0.00 C ATOM 334 CG LYS A 22 73.978 -7.907 2.466 1.00 0.00 C ATOM 335 CD LYS A 22 74.043 -8.183 3.974 1.00 0.00 C ATOM 336 CE LYS A 22 72.626 -8.217 4.556 1.00 0.00 C ATOM 337 NZ LYS A 22 72.640 -8.946 5.855 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.850 -8.254 -0.255 1.00 0.00 H new ATOM 0 HA LYS A 22 75.809 -9.673 1.920 1.00 0.00 H new ATOM 0 HB2 LYS A 22 73.022 -9.032 0.878 1.00 0.00 H new ATOM 0 HB3 LYS A 22 73.231 -9.940 2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 22 74.915 -7.465 2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 22 73.190 -7.185 2.254 1.00 0.00 H new ATOM 0 HD2 LYS A 22 74.545 -9.133 4.158 1.00 0.00 H new ATOM 0 HD3 LYS A 22 74.631 -7.411 4.470 1.00 0.00 H new ATOM 0 HE2 LYS A 22 72.256 -7.202 4.700 1.00 0.00 H new ATOM 0 HE3 LYS A 22 71.947 -8.707 3.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 71.678 -8.969 6.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 72.976 -9.919 5.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 73.276 -8.460 6.519 1.00 0.00 H new ATOM 351 N GLY A 23 75.402 -12.118 1.733 1.00 0.00 N ATOM 352 CA GLY A 23 75.297 -13.561 1.554 1.00 0.00 C ATOM 353 C GLY A 23 76.142 -14.034 0.377 1.00 0.00 C ATOM 354 O GLY A 23 75.844 -15.056 -0.241 1.00 0.00 O ATOM 0 H GLY A 23 75.921 -11.830 2.562 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.620 -14.067 2.464 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.255 -13.835 1.390 1.00 0.00 H new ATOM 358 N GLY A 24 77.200 -13.288 0.072 1.00 0.00 N ATOM 359 CA GLY A 24 78.081 -13.645 -1.033 1.00 0.00 C ATOM 360 C GLY A 24 79.286 -14.435 -0.535 1.00 0.00 C ATOM 361 O GLY A 24 79.172 -15.249 0.381 1.00 0.00 O ATOM 0 H GLY A 24 77.466 -12.439 0.571 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.531 -14.236 -1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.418 -12.741 -1.541 1.00 0.00 H new ATOM 365 N LYS A 25 80.439 -14.186 -1.145 1.00 0.00 N ATOM 366 CA LYS A 25 81.665 -14.877 -0.760 1.00 0.00 C ATOM 367 C LYS A 25 82.878 -13.975 -0.980 1.00 0.00 C ATOM 368 O LYS A 25 83.204 -13.617 -2.111 1.00 0.00 O ATOM 369 CB LYS A 25 81.824 -16.164 -1.578 1.00 0.00 C ATOM 370 CG LYS A 25 81.519 -15.892 -3.062 1.00 0.00 C ATOM 371 CD LYS A 25 80.060 -16.244 -3.372 1.00 0.00 C ATOM 372 CE LYS A 25 79.786 -16.036 -4.866 1.00 0.00 C ATOM 373 NZ LYS A 25 78.346 -15.711 -5.066 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.551 -13.514 -1.904 1.00 0.00 H new ATOM 0 HA LYS A 25 81.600 -15.130 0.298 1.00 0.00 H new ATOM 0 HB2 LYS A 25 82.839 -16.548 -1.472 1.00 0.00 H new ATOM 0 HB3 LYS A 25 81.151 -16.932 -1.196 1.00 0.00 H new ATOM 0 HG2 LYS A 25 81.705 -14.843 -3.293 1.00 0.00 H new ATOM 0 HG3 LYS A 25 82.185 -16.481 -3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 25 79.859 -17.279 -3.096 1.00 0.00 H new ATOM 0 HD3 LYS A 25 79.391 -15.620 -2.779 1.00 0.00 H new ATOM 0 HE2 LYS A 25 80.409 -15.229 -5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 25 80.048 -16.935 -5.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 78.073 -15.932 -6.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 77.769 -16.274 -4.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 78.190 -14.699 -4.883 1.00 0.00 H new ATOM 387 N HIS A 26 83.542 -13.611 0.112 1.00 0.00 N ATOM 388 CA HIS A 26 84.718 -12.751 0.026 1.00 0.00 C ATOM 389 C HIS A 26 85.786 -13.386 -0.863 1.00 0.00 C ATOM 390 O HIS A 26 86.165 -14.541 -0.665 1.00 0.00 O ATOM 391 CB HIS A 26 85.289 -12.503 1.427 1.00 0.00 C ATOM 392 CG HIS A 26 85.039 -13.706 2.295 1.00 0.00 C ATOM 393 ND1 HIS A 26 85.844 -14.833 2.247 1.00 0.00 N ATOM 394 CD2 HIS A 26 84.077 -13.971 3.238 1.00 0.00 C ATOM 395 CE1 HIS A 26 85.357 -15.717 3.137 1.00 0.00 C ATOM 396 NE2 HIS A 26 84.280 -15.241 3.768 1.00 0.00 N ATOM 0 H HIS A 26 83.290 -13.895 1.059 1.00 0.00 H new ATOM 0 HA HIS A 26 84.418 -11.800 -0.415 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.359 -12.303 1.364 1.00 0.00 H new ATOM 0 HB3 HIS A 26 84.825 -11.621 1.869 1.00 0.00 H new ATOM 0 HD2 HIS A 26 83.284 -13.296 3.525 1.00 0.00 H new ATOM 0 HE1 HIS A 26 85.784 -16.692 3.319 1.00 0.00 H new ATOM 0 HE2 HIS A 26 83.725 -15.709 4.485 1.00 0.00 H new ATOM 405 N LYS A 27 86.267 -12.621 -1.839 1.00 0.00 N ATOM 406 CA LYS A 27 87.294 -13.107 -2.756 1.00 0.00 C ATOM 407 C LYS A 27 88.460 -12.128 -2.813 1.00 0.00 C ATOM 408 O LYS A 27 88.328 -11.020 -3.336 1.00 0.00 O ATOM 409 CB LYS A 27 86.706 -13.280 -4.159 1.00 0.00 C ATOM 410 CG LYS A 27 85.752 -14.475 -4.177 1.00 0.00 C ATOM 411 CD LYS A 27 85.422 -14.844 -5.625 1.00 0.00 C ATOM 412 CE LYS A 27 84.842 -13.625 -6.347 1.00 0.00 C ATOM 413 NZ LYS A 27 84.104 -14.073 -7.562 1.00 0.00 N1+ ATOM 0 H LYS A 27 85.963 -11.664 -2.015 1.00 0.00 H new ATOM 0 HA LYS A 27 87.654 -14.070 -2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 27 86.176 -12.375 -4.455 1.00 0.00 H new ATOM 0 HB3 LYS A 27 87.507 -13.431 -4.883 1.00 0.00 H new ATOM 0 HG2 LYS A 27 86.207 -15.325 -3.669 1.00 0.00 H new ATOM 0 HG3 LYS A 27 84.838 -14.232 -3.635 1.00 0.00 H new ATOM 0 HD2 LYS A 27 86.321 -15.189 -6.137 1.00 0.00 H new ATOM 0 HD3 LYS A 27 84.707 -15.667 -5.647 1.00 0.00 H new ATOM 0 HE2 LYS A 27 84.172 -13.079 -5.682 1.00 0.00 H new ATOM 0 HE3 LYS A 27 85.642 -12.939 -6.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 83.710 -13.246 -8.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 84.755 -14.575 -8.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 83.331 -14.711 -7.283 1.00 0.00 H new ATOM 427 N THR A 28 89.601 -12.540 -2.271 1.00 0.00 N ATOM 428 CA THR A 28 90.784 -11.685 -2.265 1.00 0.00 C ATOM 429 C THR A 28 90.478 -10.362 -1.568 1.00 0.00 C ATOM 430 O THR A 28 91.090 -9.335 -1.861 1.00 0.00 O ATOM 431 CB THR A 28 91.241 -11.421 -3.703 1.00 0.00 C ATOM 432 OG1 THR A 28 91.091 -12.610 -4.468 1.00 0.00 O ATOM 433 CG2 THR A 28 92.711 -10.990 -3.712 1.00 0.00 C ATOM 0 H THR A 28 89.732 -13.452 -1.834 1.00 0.00 H new ATOM 0 HA THR A 28 91.581 -12.192 -1.721 1.00 0.00 H new ATOM 0 HB THR A 28 90.633 -10.626 -4.135 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.381 -12.445 -5.389 1.00 0.00 H new ATOM 0 HG21 THR A 28 93.029 -10.804 -4.738 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.827 -10.079 -3.125 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.325 -11.780 -3.279 1.00 0.00 H new ATOM 441 N GLY A 29 89.524 -10.397 -0.644 1.00 0.00 N ATOM 442 CA GLY A 29 89.140 -9.200 0.095 1.00 0.00 C ATOM 443 C GLY A 29 87.855 -9.440 0.884 1.00 0.00 C ATOM 444 O GLY A 29 87.032 -10.273 0.504 1.00 0.00 O ATOM 0 H GLY A 29 89.004 -11.237 -0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 29 89.942 -8.914 0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 29 88.998 -8.370 -0.597 1.00 0.00 H new ATOM 448 N PRO A 30 87.668 -8.734 1.970 1.00 0.00 N ATOM 449 CA PRO A 30 86.455 -8.878 2.826 1.00 0.00 C ATOM 450 C PRO A 30 85.185 -8.417 2.113 1.00 0.00 C ATOM 451 O PRO A 30 85.244 -7.840 1.027 1.00 0.00 O ATOM 452 CB PRO A 30 86.755 -7.996 4.046 1.00 0.00 C ATOM 453 CG PRO A 30 87.776 -7.010 3.579 1.00 0.00 C ATOM 454 CD PRO A 30 88.593 -7.718 2.498 1.00 0.00 C ATOM 0 HA PRO A 30 86.265 -9.919 3.089 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.855 -7.493 4.398 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.134 -8.590 4.877 1.00 0.00 H new ATOM 0 HG2 PRO A 30 87.298 -6.114 3.181 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.415 -6.692 4.403 1.00 0.00 H new ATOM 0 HD2 PRO A 30 88.913 -7.025 1.720 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.494 -8.172 2.910 1.00 0.00 H new ATOM 462 N ASN A 31 84.038 -8.676 2.737 1.00 0.00 N ATOM 463 CA ASN A 31 82.752 -8.286 2.163 1.00 0.00 C ATOM 464 C ASN A 31 82.265 -6.980 2.783 1.00 0.00 C ATOM 465 O ASN A 31 82.168 -6.860 4.002 1.00 0.00 O ATOM 466 CB ASN A 31 81.721 -9.387 2.414 1.00 0.00 C ATOM 467 CG ASN A 31 81.548 -9.608 3.913 1.00 0.00 C ATOM 468 OD1 ASN A 31 82.115 -10.548 4.472 1.00 0.00 O ATOM 469 ND2 ASN A 31 80.793 -8.796 4.602 1.00 0.00 N ATOM 0 H ASN A 31 83.972 -9.152 3.637 1.00 0.00 H new ATOM 0 HA ASN A 31 82.878 -8.140 1.090 1.00 0.00 H new ATOM 0 HB2 ASN A 31 80.766 -9.111 1.966 1.00 0.00 H new ATOM 0 HB3 ASN A 31 82.042 -10.313 1.936 1.00 0.00 H new ATOM 0 HD21 ASN A 31 80.672 -8.939 5.605 1.00 0.00 H new ATOM 0 HD22 ASN A 31 80.324 -8.018 4.138 1.00 0.00 H new ATOM 476 N LEU A 32 81.963 -6.003 1.933 1.00 0.00 N ATOM 477 CA LEU A 32 81.491 -4.704 2.406 1.00 0.00 C ATOM 478 C LEU A 32 80.010 -4.760 2.774 1.00 0.00 C ATOM 479 O LEU A 32 79.280 -3.786 2.591 1.00 0.00 O ATOM 480 CB LEU A 32 81.708 -3.635 1.327 1.00 0.00 C ATOM 481 CG LEU A 32 83.105 -3.770 0.708 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.445 -2.498 -0.078 1.00 0.00 C ATOM 483 CD2 LEU A 32 84.146 -3.966 1.812 1.00 0.00 C ATOM 0 H LEU A 32 82.036 -6.084 0.919 1.00 0.00 H new ATOM 0 HA LEU A 32 82.063 -4.444 3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.949 -3.734 0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.591 -2.642 1.762 1.00 0.00 H new ATOM 0 HG LEU A 32 83.114 -4.631 0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.438 -2.596 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.711 -2.353 -0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 32 83.428 -1.640 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 32 85.136 -4.061 1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 32 84.131 -3.107 2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.913 -4.870 2.375 1.00 0.00 H new ATOM 495 N HIS A 33 79.572 -5.898 3.300 1.00 0.00 N ATOM 496 CA HIS A 33 78.176 -6.056 3.699 1.00 0.00 C ATOM 497 C HIS A 33 77.814 -5.032 4.770 1.00 0.00 C ATOM 498 O HIS A 33 78.626 -4.733 5.646 1.00 0.00 O ATOM 499 CB HIS A 33 77.942 -7.465 4.249 1.00 0.00 C ATOM 500 CG HIS A 33 78.200 -8.480 3.169 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.377 -9.826 3.452 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.313 -8.364 1.806 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.585 -10.461 2.284 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.556 -9.616 1.250 1.00 0.00 N ATOM 0 H HIS A 33 80.156 -6.719 3.460 1.00 0.00 H new ATOM 0 HA HIS A 33 77.547 -5.899 2.823 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.600 -7.648 5.098 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.919 -7.559 4.613 1.00 0.00 H new ATOM 0 HD2 HIS A 33 78.227 -7.442 1.250 1.00 0.00 H new ATOM 0 HE1 HIS A 33 78.755 -11.524 2.194 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.685 -9.841 0.263 1.00 0.00 H new ATOM 513 N GLY A 34 76.595 -4.493 4.695 1.00 0.00 N ATOM 514 CA GLY A 34 76.145 -3.497 5.669 1.00 0.00 C ATOM 515 C GLY A 34 77.311 -2.629 6.129 1.00 0.00 C ATOM 516 O GLY A 34 77.361 -2.185 7.276 1.00 0.00 O ATOM 0 H GLY A 34 75.908 -4.726 3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.371 -2.870 5.225 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.696 -3.997 6.527 1.00 0.00 H new ATOM 520 N LEU A 35 78.249 -2.405 5.219 1.00 0.00 N ATOM 521 CA LEU A 35 79.430 -1.604 5.514 1.00 0.00 C ATOM 522 C LEU A 35 79.051 -0.287 6.192 1.00 0.00 C ATOM 523 O LEU A 35 79.510 0.016 7.291 1.00 0.00 O ATOM 524 CB LEU A 35 80.172 -1.322 4.198 1.00 0.00 C ATOM 525 CG LEU A 35 81.368 -0.384 4.432 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.630 -1.209 4.697 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.588 0.480 3.186 1.00 0.00 C ATOM 0 H LEU A 35 78.215 -2.768 4.266 1.00 0.00 H new ATOM 0 HA LEU A 35 80.072 -2.156 6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.520 -2.259 3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.487 -0.872 3.479 1.00 0.00 H new ATOM 0 HG LEU A 35 81.161 0.252 5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.474 -0.540 4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.480 -1.829 5.581 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.835 -1.846 3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.435 1.146 3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.791 -0.162 2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.694 1.072 2.991 1.00 0.00 H new ATOM 539 N PHE A 36 78.222 0.496 5.524 1.00 0.00 N ATOM 540 CA PHE A 36 77.806 1.785 6.062 1.00 0.00 C ATOM 541 C PHE A 36 77.223 1.645 7.468 1.00 0.00 C ATOM 542 O PHE A 36 76.019 1.447 7.629 1.00 0.00 O ATOM 543 CB PHE A 36 76.766 2.426 5.135 1.00 0.00 C ATOM 544 CG PHE A 36 77.286 2.436 3.715 1.00 0.00 C ATOM 545 CD1 PHE A 36 77.177 1.287 2.919 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.883 3.592 3.192 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.663 1.294 1.607 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.370 3.596 1.881 1.00 0.00 C ATOM 549 CZ PHE A 36 78.262 2.448 1.089 1.00 0.00 C ATOM 0 H PHE A 36 77.824 0.266 4.613 1.00 0.00 H new ATOM 0 HA PHE A 36 78.689 2.421 6.123 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.829 1.871 5.185 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.552 3.444 5.461 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.717 0.395 3.319 1.00 0.00 H new ATOM 0 HD2 PHE A 36 77.967 4.479 3.802 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.576 0.409 0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.830 4.487 1.479 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.641 2.452 0.078 1.00 0.00 H new ATOM 559 N GLY A 37 78.078 1.773 8.487 1.00 0.00 N ATOM 560 CA GLY A 37 77.611 1.682 9.872 1.00 0.00 C ATOM 561 C GLY A 37 78.575 0.909 10.776 1.00 0.00 C ATOM 562 O GLY A 37 78.598 1.129 11.987 1.00 0.00 O ATOM 0 H GLY A 37 79.079 1.937 8.382 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.474 2.687 10.271 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.635 1.196 9.890 1.00 0.00 H new ATOM 566 N ARG A 38 79.351 -0.006 10.203 1.00 0.00 N ATOM 567 CA ARG A 38 80.283 -0.805 11.007 1.00 0.00 C ATOM 568 C ARG A 38 81.647 -0.120 11.135 1.00 0.00 C ATOM 569 O ARG A 38 82.077 0.611 10.244 1.00 0.00 O ATOM 570 CB ARG A 38 80.464 -2.193 10.376 1.00 0.00 C ATOM 571 CG ARG A 38 79.577 -3.227 11.089 1.00 0.00 C ATOM 572 CD ARG A 38 80.019 -4.646 10.704 1.00 0.00 C ATOM 573 NE ARG A 38 79.273 -5.109 9.535 1.00 0.00 N ATOM 574 CZ ARG A 38 79.873 -5.703 8.500 1.00 0.00 C ATOM 575 NH1 ARG A 38 81.170 -5.873 8.486 1.00 0.00 N ATOM 576 NH2 ARG A 38 79.157 -6.117 7.491 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.358 -0.214 9.204 1.00 0.00 H new ATOM 0 HA ARG A 38 79.857 -0.905 12.005 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.208 -2.154 9.317 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.509 -2.495 10.441 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.646 -3.095 12.169 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.533 -3.075 10.815 1.00 0.00 H new ATOM 0 HD2 ARG A 38 81.088 -4.656 10.490 1.00 0.00 H new ATOM 0 HD3 ARG A 38 79.856 -5.325 11.541 1.00 0.00 H new ATOM 0 HE ARG A 38 78.262 -4.974 9.509 1.00 0.00 H new ATOM 0 HH11 ARG A 38 81.735 -5.550 9.271 1.00 0.00 H new ATOM 0 HH12 ARG A 38 81.616 -6.328 7.690 1.00 0.00 H new ATOM 0 HH21 ARG A 38 78.145 -5.986 7.496 1.00 0.00 H new ATOM 0 HH22 ARG A 38 79.609 -6.571 6.697 1.00 0.00 H new ATOM 590 N LYS A 39 82.319 -0.378 12.260 1.00 0.00 N ATOM 591 CA LYS A 39 83.635 0.204 12.522 1.00 0.00 C ATOM 592 C LYS A 39 84.691 -0.393 11.590 1.00 0.00 C ATOM 593 O LYS A 39 84.454 -1.410 10.941 1.00 0.00 O ATOM 594 CB LYS A 39 84.032 -0.053 13.983 1.00 0.00 C ATOM 595 CG LYS A 39 83.672 1.163 14.849 1.00 0.00 C ATOM 596 CD LYS A 39 84.735 2.261 14.689 1.00 0.00 C ATOM 597 CE LYS A 39 84.686 3.200 15.895 1.00 0.00 C ATOM 598 NZ LYS A 39 83.342 3.841 15.974 1.00 0.00 N1+ ATOM 0 H LYS A 39 81.973 -0.986 13.002 1.00 0.00 H new ATOM 0 HA LYS A 39 83.580 1.277 12.339 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.520 -0.940 14.357 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.102 -0.252 14.048 1.00 0.00 H new ATOM 0 HG2 LYS A 39 82.694 1.548 14.560 1.00 0.00 H new ATOM 0 HG3 LYS A 39 83.600 0.865 15.895 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.725 1.813 14.604 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.558 2.822 13.771 1.00 0.00 H new ATOM 0 HE2 LYS A 39 84.890 2.644 16.810 1.00 0.00 H new ATOM 0 HE3 LYS A 39 85.460 3.963 15.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 83.445 4.825 16.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 82.895 3.828 15.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 82.747 3.318 16.647 1.00 0.00 H new ATOM 612 N THR A 40 85.855 0.255 11.528 1.00 0.00 N ATOM 613 CA THR A 40 86.941 -0.213 10.669 1.00 0.00 C ATOM 614 C THR A 40 87.478 -1.559 11.142 1.00 0.00 C ATOM 615 O THR A 40 87.556 -1.826 12.342 1.00 0.00 O ATOM 616 CB THR A 40 88.075 0.817 10.644 1.00 0.00 C ATOM 617 OG1 THR A 40 88.332 1.271 11.963 1.00 0.00 O ATOM 618 CG2 THR A 40 87.670 2.005 9.768 1.00 0.00 C ATOM 0 H THR A 40 86.068 1.100 12.059 1.00 0.00 H new ATOM 0 HA THR A 40 86.542 -0.338 9.662 1.00 0.00 H new ATOM 0 HB THR A 40 88.974 0.354 10.236 1.00 0.00 H new ATOM 0 HG1 THR A 40 88.506 2.235 11.949 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.478 2.737 9.751 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.473 1.659 8.753 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.770 2.467 10.175 1.00 0.00 H new ATOM 626 N GLY A 41 87.852 -2.402 10.182 1.00 0.00 N ATOM 627 CA GLY A 41 88.388 -3.721 10.497 1.00 0.00 C ATOM 628 C GLY A 41 87.539 -4.424 11.547 1.00 0.00 C ATOM 629 O GLY A 41 88.056 -4.915 12.551 1.00 0.00 O ATOM 0 H GLY A 41 87.794 -2.195 9.185 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.426 -4.327 9.592 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.412 -3.624 10.859 1.00 0.00 H new ATOM 633 N GLN A 42 86.233 -4.470 11.312 1.00 0.00 N ATOM 634 CA GLN A 42 85.318 -5.117 12.249 1.00 0.00 C ATOM 635 C GLN A 42 84.828 -6.446 11.685 1.00 0.00 C ATOM 636 O GLN A 42 84.348 -7.306 12.423 1.00 0.00 O ATOM 637 CB GLN A 42 84.120 -4.204 12.529 1.00 0.00 C ATOM 638 CG GLN A 42 83.482 -4.588 13.868 1.00 0.00 C ATOM 639 CD GLN A 42 82.066 -4.031 13.954 1.00 0.00 C ATOM 640 OE1 GLN A 42 81.861 -2.927 14.456 1.00 0.00 O ATOM 641 NE2 GLN A 42 81.071 -4.737 13.493 1.00 0.00 N ATOM 0 H GLN A 42 85.785 -4.071 10.487 1.00 0.00 H new ATOM 0 HA GLN A 42 85.854 -5.305 13.180 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.441 -3.163 12.553 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.387 -4.293 11.727 1.00 0.00 H new ATOM 0 HG2 GLN A 42 83.461 -5.673 13.972 1.00 0.00 H new ATOM 0 HG3 GLN A 42 84.084 -4.201 14.690 1.00 0.00 H new ATOM 0 HE21 GLN A 42 81.244 -5.652 13.077 1.00 0.00 H new ATOM 0 HE22 GLN A 42 80.119 -4.374 13.548 1.00 0.00 H new ATOM 701 N THR A 47 91.859 -11.191 7.209 1.00 0.00 N ATOM 702 CA THR A 47 92.685 -10.770 8.337 1.00 0.00 C ATOM 703 C THR A 47 92.975 -9.275 8.248 1.00 0.00 C ATOM 704 O THR A 47 93.972 -8.857 7.660 1.00 0.00 O ATOM 705 CB THR A 47 94.002 -11.548 8.339 1.00 0.00 C ATOM 706 OG1 THR A 47 93.730 -12.936 8.468 1.00 0.00 O ATOM 707 CG2 THR A 47 94.868 -11.084 9.513 1.00 0.00 C ATOM 0 HA THR A 47 92.144 -10.974 9.261 1.00 0.00 H new ATOM 0 HB THR A 47 94.533 -11.367 7.404 1.00 0.00 H new ATOM 0 HG1 THR A 47 92.902 -13.153 7.991 1.00 0.00 H new ATOM 0 HG21 THR A 47 95.806 -11.638 9.514 1.00 0.00 H new ATOM 0 HG22 THR A 47 95.076 -10.019 9.413 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.339 -11.264 10.449 1.00 0.00 H new ATOM 715 N TYR A 48 92.086 -8.477 8.827 1.00 0.00 N ATOM 716 CA TYR A 48 92.239 -7.026 8.803 1.00 0.00 C ATOM 717 C TYR A 48 93.552 -6.599 9.448 1.00 0.00 C ATOM 718 O TYR A 48 94.096 -7.296 10.304 1.00 0.00 O ATOM 719 CB TYR A 48 91.066 -6.372 9.540 1.00 0.00 C ATOM 720 CG TYR A 48 89.926 -6.166 8.578 1.00 0.00 C ATOM 721 CD1 TYR A 48 89.923 -5.053 7.735 1.00 0.00 C ATOM 722 CD2 TYR A 48 88.874 -7.085 8.533 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.868 -4.855 6.844 1.00 0.00 C ATOM 724 CE2 TYR A 48 87.814 -6.888 7.641 1.00 0.00 C ATOM 725 CZ TYR A 48 87.810 -5.772 6.796 1.00 0.00 C ATOM 726 OH TYR A 48 86.766 -5.574 5.919 1.00 0.00 O ATOM 0 H TYR A 48 91.255 -8.807 9.317 1.00 0.00 H new ATOM 0 HA TYR A 48 92.249 -6.701 7.762 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.747 -7.002 10.370 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.375 -5.417 9.965 1.00 0.00 H new ATOM 0 HD1 TYR A 48 90.738 -4.345 7.773 1.00 0.00 H new ATOM 0 HD2 TYR A 48 88.879 -7.946 9.185 1.00 0.00 H new ATOM 0 HE1 TYR A 48 88.867 -3.995 6.191 1.00 0.00 H new ATOM 0 HE2 TYR A 48 87.000 -7.596 7.605 1.00 0.00 H new ATOM 0 HH TYR A 48 87.022 -4.903 5.252 1.00 0.00 H new ATOM 736 N THR A 49 94.048 -5.439 9.029 1.00 0.00 N ATOM 737 CA THR A 49 95.294 -4.908 9.568 1.00 0.00 C ATOM 738 C THR A 49 95.041 -4.202 10.896 1.00 0.00 C ATOM 739 O THR A 49 93.926 -3.759 11.169 1.00 0.00 O ATOM 740 CB THR A 49 95.911 -3.924 8.571 1.00 0.00 C ATOM 741 OG1 THR A 49 94.990 -2.872 8.319 1.00 0.00 O ATOM 742 CG2 THR A 49 96.231 -4.649 7.259 1.00 0.00 C ATOM 0 H THR A 49 93.608 -4.851 8.321 1.00 0.00 H new ATOM 0 HA THR A 49 95.983 -5.736 9.736 1.00 0.00 H new ATOM 0 HB THR A 49 96.831 -3.514 8.988 1.00 0.00 H new ATOM 0 HG1 THR A 49 95.442 -2.009 8.426 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.670 -3.945 6.552 1.00 0.00 H new ATOM 0 HG22 THR A 49 96.937 -5.457 7.452 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.314 -5.061 6.838 1.00 0.00 H new ATOM 750 N ASP A 50 96.080 -4.102 11.718 1.00 0.00 N ATOM 751 CA ASP A 50 95.955 -3.448 13.016 1.00 0.00 C ATOM 752 C ASP A 50 95.330 -2.065 12.866 1.00 0.00 C ATOM 753 O ASP A 50 94.421 -1.699 13.611 1.00 0.00 O ATOM 754 CB ASP A 50 97.334 -3.322 13.669 1.00 0.00 C ATOM 755 CG ASP A 50 98.385 -2.999 12.612 1.00 0.00 C ATOM 756 OD1 ASP A 50 98.041 -2.342 11.644 1.00 0.00 O ATOM 757 OD2 ASP A 50 99.517 -3.416 12.786 1.00 0.00 O1- ATOM 0 H ASP A 50 97.012 -4.462 11.511 1.00 0.00 H new ATOM 0 HA ASP A 50 95.307 -4.056 13.647 1.00 0.00 H new ATOM 0 HB2 ASP A 50 97.316 -2.539 14.427 1.00 0.00 H new ATOM 0 HB3 ASP A 50 97.591 -4.251 14.177 1.00 0.00 H new ATOM 762 N ALA A 51 95.825 -1.301 11.900 1.00 0.00 N ATOM 763 CA ALA A 51 95.312 0.044 11.662 1.00 0.00 C ATOM 764 C ALA A 51 93.804 0.018 11.441 1.00 0.00 C ATOM 765 O ALA A 51 93.087 0.907 11.896 1.00 0.00 O ATOM 766 CB ALA A 51 95.998 0.653 10.440 1.00 0.00 C ATOM 0 H ALA A 51 96.576 -1.587 11.272 1.00 0.00 H new ATOM 0 HA ALA A 51 95.524 0.652 12.541 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.610 1.657 10.268 1.00 0.00 H new ATOM 0 HB2 ALA A 51 97.073 0.704 10.614 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.801 0.033 9.565 1.00 0.00 H new ATOM 772 N ASN A 52 93.329 -1.003 10.738 1.00 0.00 N ATOM 773 CA ASN A 52 91.900 -1.128 10.464 1.00 0.00 C ATOM 774 C ASN A 52 91.176 -1.733 11.665 1.00 0.00 C ATOM 775 O ASN A 52 89.990 -1.482 11.880 1.00 0.00 O ATOM 776 CB ASN A 52 91.687 -2.008 9.223 1.00 0.00 C ATOM 777 CG ASN A 52 91.282 -1.153 8.026 1.00 0.00 C ATOM 778 OD1 ASN A 52 91.693 0.003 7.919 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.494 -1.656 7.115 1.00 0.00 N ATOM 0 H ASN A 52 93.905 -1.750 10.350 1.00 0.00 H new ATOM 0 HA ASN A 52 91.489 -0.136 10.277 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.603 -2.553 8.995 1.00 0.00 H new ATOM 0 HB3 ASN A 52 90.915 -2.751 9.425 1.00 0.00 H new ATOM 0 HD21 ASN A 52 90.217 -1.091 6.312 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.155 -2.614 7.206 1.00 0.00 H new ATOM 786 N LYS A 53 91.899 -2.525 12.448 1.00 0.00 N ATOM 787 CA LYS A 53 91.325 -3.156 13.624 1.00 0.00 C ATOM 788 C LYS A 53 91.395 -2.193 14.800 1.00 0.00 C ATOM 789 O LYS A 53 90.777 -2.413 15.841 1.00 0.00 O ATOM 790 CB LYS A 53 92.096 -4.450 13.928 1.00 0.00 C ATOM 791 CG LYS A 53 92.064 -4.751 15.428 1.00 0.00 C ATOM 792 CD LYS A 53 92.623 -6.153 15.685 1.00 0.00 C ATOM 793 CE LYS A 53 92.222 -6.617 17.087 1.00 0.00 C ATOM 794 NZ LYS A 53 92.497 -5.529 18.069 1.00 0.00 N1+ ATOM 0 H LYS A 53 92.882 -2.744 12.288 1.00 0.00 H new ATOM 0 HA LYS A 53 90.279 -3.406 13.445 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.658 -5.280 13.375 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.128 -4.353 13.592 1.00 0.00 H new ATOM 0 HG2 LYS A 53 92.651 -4.010 15.970 1.00 0.00 H new ATOM 0 HG3 LYS A 53 91.042 -4.683 15.801 1.00 0.00 H new ATOM 0 HD2 LYS A 53 92.243 -6.850 14.938 1.00 0.00 H new ATOM 0 HD3 LYS A 53 93.709 -6.145 15.590 1.00 0.00 H new ATOM 0 HE2 LYS A 53 91.164 -6.880 17.106 1.00 0.00 H new ATOM 0 HE3 LYS A 53 92.778 -7.515 17.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 92.537 -5.929 19.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 93.407 -5.079 17.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 91.739 -4.819 18.021 1.00 0.00 H new ATOM 808 N ASN A 54 92.155 -1.121 14.619 1.00 0.00 N ATOM 809 CA ASN A 54 92.304 -0.119 15.663 1.00 0.00 C ATOM 810 C ASN A 54 90.972 0.568 15.922 1.00 0.00 C ATOM 811 O ASN A 54 90.769 1.192 16.964 1.00 0.00 O ATOM 812 CB ASN A 54 93.345 0.914 15.231 1.00 0.00 C ATOM 813 CG ASN A 54 92.689 2.046 14.442 1.00 0.00 C ATOM 814 OD1 ASN A 54 93.051 3.211 14.611 1.00 0.00 O ATOM 815 ND2 ASN A 54 91.742 1.774 13.587 1.00 0.00 N ATOM 0 H ASN A 54 92.675 -0.924 13.764 1.00 0.00 H new ATOM 0 HA ASN A 54 92.633 -0.604 16.582 1.00 0.00 H new ATOM 0 HB2 ASN A 54 93.848 1.320 16.109 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.109 0.434 14.620 1.00 0.00 H new ATOM 0 HD21 ASN A 54 91.301 2.526 13.058 1.00 0.00 H new ATOM 0 HD22 ASN A 54 91.443 0.809 13.447 1.00 0.00 H new ATOM 822 N LYS A 55 90.074 0.445 14.958 1.00 0.00 N ATOM 823 CA LYS A 55 88.751 1.055 15.068 1.00 0.00 C ATOM 824 C LYS A 55 88.871 2.558 15.286 1.00 0.00 C ATOM 825 O LYS A 55 88.483 3.076 16.334 1.00 0.00 O ATOM 826 CB LYS A 55 87.974 0.428 16.229 1.00 0.00 C ATOM 827 CG LYS A 55 87.736 -1.061 15.950 1.00 0.00 C ATOM 828 CD LYS A 55 86.552 -1.557 16.782 1.00 0.00 C ATOM 829 CE LYS A 55 86.867 -1.394 18.270 1.00 0.00 C ATOM 830 NZ LYS A 55 85.888 -2.180 19.074 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.232 -0.069 14.092 1.00 0.00 H new ATOM 0 HA LYS A 55 88.213 0.875 14.137 1.00 0.00 H new ATOM 0 HB2 LYS A 55 88.530 0.549 17.158 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.021 0.940 16.359 1.00 0.00 H new ATOM 0 HG2 LYS A 55 87.538 -1.215 14.889 1.00 0.00 H new ATOM 0 HG3 LYS A 55 88.630 -1.634 16.194 1.00 0.00 H new ATOM 0 HD2 LYS A 55 85.654 -0.995 16.526 1.00 0.00 H new ATOM 0 HD3 LYS A 55 86.348 -2.604 16.555 1.00 0.00 H new ATOM 0 HE2 LYS A 55 87.881 -1.735 18.477 1.00 0.00 H new ATOM 0 HE3 LYS A 55 86.821 -0.341 18.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 86.102 -2.070 20.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 84.926 -1.835 18.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 85.953 -3.185 18.814 1.00 0.00 H new ATOM 844 N GLY A 56 89.415 3.256 14.294 1.00 0.00 N ATOM 845 CA GLY A 56 89.587 4.701 14.392 1.00 0.00 C ATOM 846 C GLY A 56 88.300 5.437 14.032 1.00 0.00 C ATOM 847 O GLY A 56 87.908 6.385 14.714 1.00 0.00 O ATOM 0 H GLY A 56 89.742 2.848 13.419 1.00 0.00 H new ATOM 0 HA2 GLY A 56 89.889 4.966 15.405 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.389 5.020 13.727 1.00 0.00 H new ATOM 851 N ILE A 57 87.648 4.998 12.960 1.00 0.00 N ATOM 852 CA ILE A 57 86.405 5.628 12.522 1.00 0.00 C ATOM 853 C ILE A 57 85.428 4.579 12.001 1.00 0.00 C ATOM 854 O ILE A 57 85.775 3.404 11.879 1.00 0.00 O ATOM 855 CB ILE A 57 86.698 6.662 11.430 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.199 5.954 10.160 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.775 7.628 11.929 1.00 0.00 C ATOM 858 CD1 ILE A 57 86.017 5.413 9.344 1.00 0.00 C ATOM 0 H ILE A 57 87.955 4.216 12.382 1.00 0.00 H new ATOM 0 HA ILE A 57 85.951 6.131 13.376 1.00 0.00 H new ATOM 0 HB ILE A 57 85.785 7.211 11.198 1.00 0.00 H new ATOM 0 HG12 ILE A 57 87.779 6.650 9.554 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.866 5.136 10.432 1.00 0.00 H new ATOM 0 HG21 ILE A 57 87.988 8.366 11.156 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.422 8.134 12.827 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.684 7.072 12.160 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.390 4.915 8.449 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.454 4.701 9.947 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.366 6.238 9.055 1.00 0.00 H new ATOM 870 N THR A 58 84.203 5.008 11.707 1.00 0.00 N ATOM 871 CA THR A 58 83.176 4.092 11.213 1.00 0.00 C ATOM 872 C THR A 58 82.865 4.346 9.742 1.00 0.00 C ATOM 873 O THR A 58 82.804 5.492 9.298 1.00 0.00 O ATOM 874 CB THR A 58 81.898 4.260 12.039 1.00 0.00 C ATOM 875 OG1 THR A 58 82.141 3.840 13.375 1.00 0.00 O ATOM 876 CG2 THR A 58 80.777 3.413 11.433 1.00 0.00 C ATOM 0 H THR A 58 83.898 5.977 11.801 1.00 0.00 H new ATOM 0 HA THR A 58 83.555 3.075 11.311 1.00 0.00 H new ATOM 0 HB THR A 58 81.599 5.308 12.034 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.324 3.949 13.906 1.00 0.00 H new ATOM 0 HG21 THR A 58 79.869 3.535 12.023 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.590 3.736 10.409 1.00 0.00 H new ATOM 0 HG23 THR A 58 81.072 2.364 11.434 1.00 0.00 H new ATOM 884 N TRP A 59 82.656 3.264 8.993 1.00 0.00 N ATOM 885 CA TRP A 59 82.335 3.386 7.577 1.00 0.00 C ATOM 886 C TRP A 59 81.010 4.119 7.406 1.00 0.00 C ATOM 887 O TRP A 59 80.058 3.884 8.149 1.00 0.00 O ATOM 888 CB TRP A 59 82.233 2.008 6.918 1.00 0.00 C ATOM 889 CG TRP A 59 83.369 1.135 7.355 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.657 1.529 7.460 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.340 -0.274 7.736 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.420 0.453 7.878 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.652 -0.678 8.069 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.315 -1.230 7.826 1.00 0.00 C ATOM 895 CZ2 TRP A 59 84.934 -1.984 8.478 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.596 -2.544 8.236 1.00 0.00 C ATOM 897 CH2 TRP A 59 83.901 -2.919 8.562 1.00 0.00 C ATOM 0 H TRP A 59 82.703 2.306 9.340 1.00 0.00 H new ATOM 0 HA TRP A 59 83.136 3.949 7.097 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.284 1.541 7.182 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.244 2.115 5.833 1.00 0.00 H new ATOM 0 HD1 TRP A 59 85.030 2.521 7.252 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.428 0.491 8.027 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.301 -0.952 7.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 85.946 -2.268 8.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.798 -3.269 8.299 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.111 -3.930 8.878 1.00 0.00 H new ATOM 908 N LYS A 60 80.957 5.003 6.421 1.00 0.00 N ATOM 909 CA LYS A 60 79.750 5.772 6.151 1.00 0.00 C ATOM 910 C LYS A 60 79.764 6.251 4.704 1.00 0.00 C ATOM 911 O LYS A 60 80.511 5.723 3.884 1.00 0.00 O ATOM 912 CB LYS A 60 79.670 6.974 7.098 1.00 0.00 C ATOM 913 CG LYS A 60 79.433 6.487 8.532 1.00 0.00 C ATOM 914 CD LYS A 60 78.988 7.660 9.411 1.00 0.00 C ATOM 915 CE LYS A 60 80.195 8.537 9.745 1.00 0.00 C ATOM 916 NZ LYS A 60 79.792 9.586 10.723 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.736 5.206 5.795 1.00 0.00 H new ATOM 0 HA LYS A 60 78.878 5.139 6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.593 7.551 7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 60 78.862 7.638 6.791 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.673 5.706 8.540 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.346 6.047 8.932 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.230 8.248 8.894 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.531 7.288 10.328 1.00 0.00 H new ATOM 0 HE2 LYS A 60 80.997 7.927 10.160 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.583 9.000 8.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.613 10.183 10.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 79.040 10.174 10.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.441 9.134 11.592 1.00 0.00 H new ATOM 930 N GLU A 61 78.944 7.246 4.391 1.00 0.00 N ATOM 931 CA GLU A 61 78.895 7.768 3.032 1.00 0.00 C ATOM 932 C GLU A 61 80.103 8.658 2.757 1.00 0.00 C ATOM 933 O GLU A 61 80.882 8.399 1.839 1.00 0.00 O ATOM 934 CB GLU A 61 77.609 8.572 2.829 1.00 0.00 C ATOM 935 CG GLU A 61 77.473 8.958 1.354 1.00 0.00 C ATOM 936 CD GLU A 61 76.121 9.623 1.113 1.00 0.00 C ATOM 937 OE1 GLU A 61 75.837 10.602 1.783 1.00 0.00 O ATOM 938 OE2 GLU A 61 75.392 9.144 0.261 1.00 0.00 O1- ATOM 0 H GLU A 61 78.312 7.702 5.049 1.00 0.00 H new ATOM 0 HA GLU A 61 78.912 6.928 2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.747 7.983 3.142 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.626 9.468 3.450 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.277 9.637 1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.569 8.072 0.727 1.00 0.00 H new ATOM 945 N GLU A 62 80.257 9.706 3.560 1.00 0.00 N ATOM 946 CA GLU A 62 81.375 10.629 3.390 1.00 0.00 C ATOM 947 C GLU A 62 82.695 9.958 3.755 1.00 0.00 C ATOM 948 O GLU A 62 83.696 10.123 3.059 1.00 0.00 O ATOM 949 CB GLU A 62 81.169 11.867 4.265 1.00 0.00 C ATOM 950 CG GLU A 62 79.933 12.631 3.786 1.00 0.00 C ATOM 951 CD GLU A 62 79.816 13.954 4.536 1.00 0.00 C ATOM 952 OE1 GLU A 62 79.479 13.921 5.708 1.00 0.00 O1- ATOM 953 OE2 GLU A 62 80.064 14.981 3.927 1.00 0.00 O ATOM 0 H GLU A 62 79.628 9.937 4.329 1.00 0.00 H new ATOM 0 HA GLU A 62 81.415 10.926 2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 62 81.046 11.572 5.307 1.00 0.00 H new ATOM 0 HB3 GLU A 62 82.048 12.510 4.217 1.00 0.00 H new ATOM 0 HG2 GLU A 62 80.002 12.816 2.714 1.00 0.00 H new ATOM 0 HG3 GLU A 62 79.038 12.030 3.949 1.00 0.00 H new ATOM 960 N THR A 63 82.694 9.200 4.845 1.00 0.00 N ATOM 961 CA THR A 63 83.907 8.515 5.274 1.00 0.00 C ATOM 962 C THR A 63 84.450 7.666 4.137 1.00 0.00 C ATOM 963 O THR A 63 85.662 7.545 3.957 1.00 0.00 O ATOM 964 CB THR A 63 83.617 7.622 6.479 1.00 0.00 C ATOM 965 OG1 THR A 63 82.676 6.626 6.113 1.00 0.00 O ATOM 966 CG2 THR A 63 83.053 8.464 7.619 1.00 0.00 C ATOM 0 H THR A 63 81.880 9.045 5.440 1.00 0.00 H new ATOM 0 HA THR A 63 84.647 9.264 5.556 1.00 0.00 H new ATOM 0 HB THR A 63 84.541 7.146 6.807 1.00 0.00 H new ATOM 0 HG1 THR A 63 83.150 5.824 5.808 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.847 7.824 8.477 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.778 9.227 7.901 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.130 8.944 7.295 1.00 0.00 H new ATOM 974 N LEU A 64 83.540 7.082 3.365 1.00 0.00 N ATOM 975 CA LEU A 64 83.937 6.249 2.241 1.00 0.00 C ATOM 976 C LEU A 64 84.535 7.111 1.135 1.00 0.00 C ATOM 977 O LEU A 64 85.441 6.679 0.425 1.00 0.00 O ATOM 978 CB LEU A 64 82.730 5.475 1.696 1.00 0.00 C ATOM 979 CG LEU A 64 82.831 3.991 2.076 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.509 3.286 1.738 1.00 0.00 C ATOM 981 CD2 LEU A 64 83.983 3.331 1.300 1.00 0.00 C ATOM 0 H LEU A 64 82.532 7.170 3.497 1.00 0.00 H new ATOM 0 HA LEU A 64 84.687 5.537 2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.808 5.898 2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.684 5.577 0.612 1.00 0.00 H new ATOM 0 HG LEU A 64 83.026 3.905 3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.579 2.232 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.696 3.750 2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.312 3.375 0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.050 2.278 1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.797 3.416 0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.920 3.830 1.546 1.00 0.00 H new ATOM 993 N MET A 65 84.018 8.330 0.986 1.00 0.00 N ATOM 994 CA MET A 65 84.515 9.232 -0.051 1.00 0.00 C ATOM 995 C MET A 65 85.994 9.534 0.156 1.00 0.00 C ATOM 996 O MET A 65 86.814 9.294 -0.730 1.00 0.00 O ATOM 997 CB MET A 65 83.724 10.540 -0.043 1.00 0.00 C ATOM 998 CG MET A 65 82.269 10.253 -0.411 1.00 0.00 C ATOM 999 SD MET A 65 81.268 11.731 -0.113 1.00 0.00 S ATOM 1000 CE MET A 65 81.001 12.176 -1.844 1.00 0.00 C ATOM 0 H MET A 65 83.267 8.711 1.561 1.00 0.00 H new ATOM 0 HA MET A 65 84.387 8.738 -1.014 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.777 11.004 0.942 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.158 11.245 -0.752 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.199 9.958 -1.458 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.891 9.419 0.181 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.350 13.048 -1.899 1.00 0.00 H new ATOM 0 HE2 MET A 65 81.958 12.407 -2.312 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.534 11.341 -2.366 1.00 0.00 H new ATOM 1010 N GLU A 66 86.334 10.055 1.330 1.00 0.00 N ATOM 1011 CA GLU A 66 87.722 10.374 1.632 1.00 0.00 C ATOM 1012 C GLU A 66 88.570 9.112 1.551 1.00 0.00 C ATOM 1013 O GLU A 66 89.750 9.159 1.206 1.00 0.00 O ATOM 1014 CB GLU A 66 87.831 10.980 3.032 1.00 0.00 C ATOM 1015 CG GLU A 66 87.297 12.415 3.015 1.00 0.00 C ATOM 1016 CD GLU A 66 88.338 13.352 2.413 1.00 0.00 C ATOM 1017 OE1 GLU A 66 88.435 13.398 1.198 1.00 0.00 O1- ATOM 1018 OE2 GLU A 66 89.024 14.013 3.177 1.00 0.00 O ATOM 0 H GLU A 66 85.675 10.263 2.080 1.00 0.00 H new ATOM 0 HA GLU A 66 88.084 11.099 0.903 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.265 10.379 3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.870 10.972 3.363 1.00 0.00 H new ATOM 0 HG2 GLU A 66 86.375 12.462 2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 66 87.053 12.733 4.029 1.00 0.00 H new ATOM 1025 N TYR A 67 87.952 7.983 1.867 1.00 0.00 N ATOM 1026 CA TYR A 67 88.643 6.702 1.822 1.00 0.00 C ATOM 1027 C TYR A 67 88.750 6.210 0.381 1.00 0.00 C ATOM 1028 O TYR A 67 89.667 5.468 0.033 1.00 0.00 O ATOM 1029 CB TYR A 67 87.876 5.680 2.667 1.00 0.00 C ATOM 1030 CG TYR A 67 88.427 4.293 2.436 1.00 0.00 C ATOM 1031 CD1 TYR A 67 87.912 3.499 1.404 1.00 0.00 C ATOM 1032 CD2 TYR A 67 89.445 3.797 3.258 1.00 0.00 C ATOM 1033 CE1 TYR A 67 88.417 2.212 1.192 1.00 0.00 C ATOM 1034 CE2 TYR A 67 89.951 2.510 3.047 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.437 1.716 2.014 1.00 0.00 C ATOM 1036 OH TYR A 67 89.935 0.446 1.806 1.00 0.00 O ATOM 0 H TYR A 67 86.976 7.928 2.157 1.00 0.00 H new ATOM 0 HA TYR A 67 89.649 6.824 2.224 1.00 0.00 H new ATOM 0 HB2 TYR A 67 87.954 5.939 3.723 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.817 5.706 2.410 1.00 0.00 H new ATOM 0 HD1 TYR A 67 87.124 3.881 0.771 1.00 0.00 H new ATOM 0 HD2 TYR A 67 89.840 4.408 4.056 1.00 0.00 H new ATOM 0 HE1 TYR A 67 88.021 1.601 0.395 1.00 0.00 H new ATOM 0 HE2 TYR A 67 90.738 2.129 3.681 1.00 0.00 H new ATOM 0 HH TYR A 67 90.007 0.276 0.843 1.00 0.00 H new ATOM 1046 N LEU A 68 87.797 6.626 -0.446 1.00 0.00 N ATOM 1047 CA LEU A 68 87.772 6.218 -1.846 1.00 0.00 C ATOM 1048 C LEU A 68 88.793 7.005 -2.667 1.00 0.00 C ATOM 1049 O LEU A 68 89.227 6.552 -3.726 1.00 0.00 O ATOM 1050 CB LEU A 68 86.359 6.428 -2.419 1.00 0.00 C ATOM 1051 CG LEU A 68 85.562 5.116 -2.363 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.102 5.385 -2.728 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.141 4.103 -3.350 1.00 0.00 C ATOM 0 H LEU A 68 87.033 7.244 -0.172 1.00 0.00 H new ATOM 0 HA LEU A 68 88.036 5.162 -1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.840 7.201 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.425 6.778 -3.449 1.00 0.00 H new ATOM 0 HG LEU A 68 85.625 4.713 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.539 4.452 -2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.676 6.097 -2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 68 84.049 5.797 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.567 3.178 -3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.089 4.509 -4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.181 3.899 -3.094 1.00 0.00 H new ATOM 1065 N GLU A 69 89.176 8.182 -2.179 1.00 0.00 N ATOM 1066 CA GLU A 69 90.150 9.010 -2.889 1.00 0.00 C ATOM 1067 C GLU A 69 91.554 8.782 -2.332 1.00 0.00 C ATOM 1068 O GLU A 69 92.546 9.207 -2.922 1.00 0.00 O ATOM 1069 CB GLU A 69 89.766 10.492 -2.772 1.00 0.00 C ATOM 1070 CG GLU A 69 90.288 11.078 -1.454 1.00 0.00 C ATOM 1071 CD GLU A 69 91.731 11.554 -1.615 1.00 0.00 C ATOM 1072 OE1 GLU A 69 92.231 11.510 -2.727 1.00 0.00 O1- ATOM 1073 OE2 GLU A 69 92.314 11.959 -0.624 1.00 0.00 O ATOM 0 H GLU A 69 88.832 8.581 -1.306 1.00 0.00 H new ATOM 0 HA GLU A 69 90.147 8.726 -3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 69 90.179 11.049 -3.613 1.00 0.00 H new ATOM 0 HB3 GLU A 69 88.682 10.598 -2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 69 89.657 11.911 -1.144 1.00 0.00 H new ATOM 0 HG3 GLU A 69 90.233 10.326 -0.667 1.00 0.00 H new ATOM 1080 N ASN A 70 91.623 8.096 -1.195 1.00 0.00 N ATOM 1081 CA ASN A 70 92.908 7.803 -0.567 1.00 0.00 C ATOM 1082 C ASN A 70 92.752 6.717 0.494 1.00 0.00 C ATOM 1083 O ASN A 70 92.974 6.950 1.681 1.00 0.00 O ATOM 1084 CB ASN A 70 93.491 9.072 0.065 1.00 0.00 C ATOM 1085 CG ASN A 70 92.612 9.556 1.216 1.00 0.00 C ATOM 1086 OD1 ASN A 70 91.730 10.389 1.016 1.00 0.00 O ATOM 1087 ND2 ASN A 70 92.808 9.091 2.420 1.00 0.00 N ATOM 0 H ASN A 70 90.812 7.735 -0.693 1.00 0.00 H new ATOM 0 HA ASN A 70 93.592 7.443 -1.336 1.00 0.00 H new ATOM 0 HB2 ASN A 70 94.499 8.872 0.430 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.574 9.854 -0.689 1.00 0.00 H new ATOM 0 HD21 ASN A 70 92.230 9.419 3.194 1.00 0.00 H new ATOM 0 HD22 ASN A 70 93.539 8.400 2.587 1.00 0.00 H new ATOM 1094 N PRO A 71 92.372 5.537 0.083 1.00 0.00 N ATOM 1095 CA PRO A 71 92.175 4.382 1.006 1.00 0.00 C ATOM 1096 C PRO A 71 93.341 4.197 1.978 1.00 0.00 C ATOM 1097 O PRO A 71 93.146 3.819 3.134 1.00 0.00 O ATOM 1098 CB PRO A 71 92.063 3.180 0.062 1.00 0.00 C ATOM 1099 CG PRO A 71 91.585 3.736 -1.240 1.00 0.00 C ATOM 1100 CD PRO A 71 92.092 5.177 -1.317 1.00 0.00 C ATOM 0 HA PRO A 71 91.302 4.521 1.643 1.00 0.00 H new ATOM 0 HB2 PRO A 71 93.025 2.682 -0.054 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.365 2.439 0.452 1.00 0.00 H new ATOM 0 HG2 PRO A 71 91.965 3.147 -2.075 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.497 3.705 -1.298 1.00 0.00 H new ATOM 0 HD2 PRO A 71 92.987 5.252 -1.934 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.346 5.839 -1.757 1.00 0.00 H new ATOM 1108 N LYS A 72 94.553 4.448 1.494 1.00 0.00 N ATOM 1109 CA LYS A 72 95.746 4.284 2.318 1.00 0.00 C ATOM 1110 C LYS A 72 95.961 5.473 3.250 1.00 0.00 C ATOM 1111 O LYS A 72 96.228 5.297 4.438 1.00 0.00 O ATOM 1112 CB LYS A 72 96.971 4.126 1.413 1.00 0.00 C ATOM 1113 CG LYS A 72 98.224 3.857 2.261 1.00 0.00 C ATOM 1114 CD LYS A 72 98.339 2.357 2.566 1.00 0.00 C ATOM 1115 CE LYS A 72 98.953 1.627 1.366 1.00 0.00 C ATOM 1116 NZ LYS A 72 100.438 1.630 1.491 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.735 4.764 0.541 1.00 0.00 H new ATOM 0 HA LYS A 72 95.607 3.395 2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.813 3.305 0.714 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.112 5.028 0.818 1.00 0.00 H new ATOM 0 HG2 LYS A 72 99.113 4.198 1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 72 98.172 4.423 3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 72 98.956 2.203 3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 72 97.354 1.946 2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 72 98.583 0.603 1.321 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.654 2.115 0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 100.856 1.135 0.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 100.782 2.611 1.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 100.713 1.146 2.369 1.00 0.00 H new ATOM 1130 N LYS A 73 95.873 6.680 2.705 1.00 0.00 N ATOM 1131 CA LYS A 73 96.095 7.878 3.507 1.00 0.00 C ATOM 1132 C LYS A 73 95.009 8.051 4.568 1.00 0.00 C ATOM 1133 O LYS A 73 95.201 8.777 5.544 1.00 0.00 O ATOM 1134 CB LYS A 73 96.140 9.116 2.604 1.00 0.00 C ATOM 1135 CG LYS A 73 97.098 10.155 3.198 1.00 0.00 C ATOM 1136 CD LYS A 73 96.930 11.495 2.469 1.00 0.00 C ATOM 1137 CE LYS A 73 95.836 12.322 3.149 1.00 0.00 C ATOM 1138 NZ LYS A 73 96.382 12.939 4.392 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.653 6.855 1.725 1.00 0.00 H new ATOM 0 HA LYS A 73 97.051 7.764 4.017 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.467 8.836 1.603 1.00 0.00 H new ATOM 0 HB3 LYS A 73 95.142 9.542 2.505 1.00 0.00 H new ATOM 0 HG2 LYS A 73 96.897 10.282 4.262 1.00 0.00 H new ATOM 0 HG3 LYS A 73 98.127 9.808 3.107 1.00 0.00 H new ATOM 0 HD2 LYS A 73 97.872 12.044 2.477 1.00 0.00 H new ATOM 0 HD3 LYS A 73 96.671 11.321 1.425 1.00 0.00 H new ATOM 0 HE2 LYS A 73 95.477 13.097 2.472 1.00 0.00 H new ATOM 0 HE3 LYS A 73 94.982 11.689 3.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 95.741 13.691 4.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 96.467 12.213 5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 97.320 13.344 4.196 1.00 0.00 H new ATOM 1152 N TYR A 74 93.872 7.389 4.380 1.00 0.00 N ATOM 1153 CA TYR A 74 92.780 7.498 5.342 1.00 0.00 C ATOM 1154 C TYR A 74 93.090 6.681 6.593 1.00 0.00 C ATOM 1155 O TYR A 74 93.120 7.214 7.702 1.00 0.00 O ATOM 1156 CB TYR A 74 91.468 7.016 4.709 1.00 0.00 C ATOM 1157 CG TYR A 74 90.300 7.752 5.328 1.00 0.00 C ATOM 1158 CD1 TYR A 74 90.196 9.143 5.189 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.324 7.047 6.045 1.00 0.00 C ATOM 1160 CE1 TYR A 74 89.118 9.826 5.765 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.247 7.731 6.620 1.00 0.00 C ATOM 1162 CZ TYR A 74 88.144 9.120 6.480 1.00 0.00 C ATOM 1163 OH TYR A 74 87.082 9.794 7.048 1.00 0.00 O ATOM 0 H TYR A 74 93.683 6.780 3.584 1.00 0.00 H new ATOM 0 HA TYR A 74 92.671 8.544 5.627 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.488 7.187 3.633 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.354 5.942 4.859 1.00 0.00 H new ATOM 0 HD1 TYR A 74 90.948 9.688 4.637 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.403 5.975 6.154 1.00 0.00 H new ATOM 0 HE1 TYR A 74 89.038 10.898 5.658 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.495 7.187 7.172 1.00 0.00 H new ATOM 0 HH TYR A 74 86.497 9.156 7.507 1.00 0.00 H new ATOM 1173 N ILE A 75 93.331 5.386 6.405 1.00 0.00 N ATOM 1174 CA ILE A 75 93.653 4.501 7.523 1.00 0.00 C ATOM 1175 C ILE A 75 94.947 3.746 7.231 1.00 0.00 C ATOM 1176 O ILE A 75 94.928 2.551 6.935 1.00 0.00 O ATOM 1177 CB ILE A 75 92.508 3.507 7.754 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.211 4.281 8.025 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.832 2.619 8.961 1.00 0.00 C ATOM 1180 CD1 ILE A 75 90.004 3.376 7.770 1.00 0.00 C ATOM 0 H ILE A 75 93.310 4.927 5.494 1.00 0.00 H new ATOM 0 HA ILE A 75 93.786 5.101 8.423 1.00 0.00 H new ATOM 0 HB ILE A 75 92.385 2.883 6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.198 4.638 9.055 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.160 5.160 7.382 1.00 0.00 H new ATOM 0 HG21 ILE A 75 92.017 1.914 9.123 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.755 2.070 8.772 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.955 3.241 9.848 1.00 0.00 H new ATOM 0 HD11 ILE A 75 89.086 3.931 7.964 1.00 0.00 H new ATOM 0 HD12 ILE A 75 90.013 3.041 6.733 1.00 0.00 H new ATOM 0 HD13 ILE A 75 90.052 2.511 8.431 1.00 0.00 H new ATOM 1192 N PRO A 76 96.064 4.426 7.298 1.00 0.00 N ATOM 1193 CA PRO A 76 97.399 3.820 7.027 1.00 0.00 C ATOM 1194 C PRO A 76 97.544 2.436 7.652 1.00 0.00 C ATOM 1195 O PRO A 76 97.309 2.256 8.846 1.00 0.00 O ATOM 1196 CB PRO A 76 98.373 4.816 7.654 1.00 0.00 C ATOM 1197 CG PRO A 76 97.683 6.138 7.562 1.00 0.00 C ATOM 1198 CD PRO A 76 96.179 5.855 7.643 1.00 0.00 C ATOM 0 HA PRO A 76 97.572 3.659 5.963 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.592 4.556 8.690 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.323 4.828 7.121 1.00 0.00 H new ATOM 0 HG2 PRO A 76 97.997 6.796 8.372 1.00 0.00 H new ATOM 0 HG3 PRO A 76 97.933 6.641 6.628 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.788 6.057 8.640 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.618 6.480 6.948 1.00 0.00 H new ATOM 1206 N GLY A 77 97.931 1.462 6.833 1.00 0.00 N ATOM 1207 CA GLY A 77 98.104 0.092 7.305 1.00 0.00 C ATOM 1208 C GLY A 77 97.127 -0.843 6.603 1.00 0.00 C ATOM 1209 O GLY A 77 97.405 -2.030 6.428 1.00 0.00 O ATOM 0 H GLY A 77 98.130 1.596 5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.127 -0.236 7.120 1.00 0.00 H new ATOM 0 HA3 GLY A 77 97.946 0.050 8.383 1.00 0.00 H new ATOM 1213 N THR A 78 95.983 -0.298 6.200 1.00 0.00 N ATOM 1214 CA THR A 78 94.969 -1.089 5.513 1.00 0.00 C ATOM 1215 C THR A 78 95.559 -1.768 4.283 1.00 0.00 C ATOM 1216 O THR A 78 96.366 -1.177 3.566 1.00 0.00 O ATOM 1217 CB THR A 78 93.810 -0.187 5.088 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.746 -0.988 4.592 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.289 0.766 3.994 1.00 0.00 C ATOM 0 H THR A 78 95.736 0.682 6.336 1.00 0.00 H new ATOM 0 HA THR A 78 94.607 -1.855 6.198 1.00 0.00 H new ATOM 0 HB THR A 78 93.459 0.389 5.944 1.00 0.00 H new ATOM 0 HG1 THR A 78 92.001 -0.411 4.321 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.466 1.411 3.688 1.00 0.00 H new ATOM 0 HG22 THR A 78 95.106 1.377 4.376 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.637 0.190 3.137 1.00 0.00 H new ATOM 1227 N LYS A 79 95.154 -3.012 4.042 1.00 0.00 N ATOM 1228 CA LYS A 79 95.660 -3.752 2.889 1.00 0.00 C ATOM 1229 C LYS A 79 94.788 -3.498 1.660 1.00 0.00 C ATOM 1230 O LYS A 79 93.812 -4.207 1.422 1.00 0.00 O ATOM 1231 CB LYS A 79 95.687 -5.253 3.202 1.00 0.00 C ATOM 1232 CG LYS A 79 96.575 -5.992 2.180 1.00 0.00 C ATOM 1233 CD LYS A 79 97.772 -6.640 2.888 1.00 0.00 C ATOM 1234 CE LYS A 79 98.768 -5.557 3.311 1.00 0.00 C ATOM 1235 NZ LYS A 79 99.497 -5.059 2.110 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.487 -3.523 4.620 1.00 0.00 H new ATOM 0 HA LYS A 79 96.672 -3.408 2.676 1.00 0.00 H new ATOM 0 HB2 LYS A 79 96.068 -5.415 4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 79 94.675 -5.656 3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 79 95.991 -6.755 1.665 1.00 0.00 H new ATOM 0 HG3 LYS A 79 96.927 -5.293 1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 79 97.433 -7.197 3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 79 98.257 -7.355 2.223 1.00 0.00 H new ATOM 0 HE2 LYS A 79 98.243 -4.735 3.798 1.00 0.00 H new ATOM 0 HE3 LYS A 79 99.474 -5.960 4.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 100.371 -4.580 2.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 99.735 -5.860 1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 98.894 -4.389 1.591 1.00 0.00 H new ATOM 1249 N MET A 80 95.158 -2.485 0.879 1.00 0.00 N ATOM 1250 CA MET A 80 94.414 -2.145 -0.331 1.00 0.00 C ATOM 1251 C MET A 80 95.119 -1.026 -1.094 1.00 0.00 C ATOM 1252 O MET A 80 94.978 0.150 -0.759 1.00 0.00 O ATOM 1253 CB MET A 80 92.989 -1.702 0.020 1.00 0.00 C ATOM 1254 CG MET A 80 92.307 -1.142 -1.234 1.00 0.00 C ATOM 1255 SD MET A 80 90.523 -1.010 -0.957 1.00 0.00 S ATOM 1256 CE MET A 80 90.198 0.292 -2.172 1.00 0.00 C ATOM 0 H MET A 80 95.965 -1.888 1.062 1.00 0.00 H new ATOM 0 HA MET A 80 94.367 -3.034 -0.960 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.420 -2.545 0.411 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.014 -0.944 0.803 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.720 -0.163 -1.477 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.504 -1.791 -2.087 1.00 0.00 H new ATOM 0 HE1 MET A 80 89.221 0.129 -2.628 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.210 1.263 -1.677 1.00 0.00 H new ATOM 0 HE3 MET A 80 90.967 0.269 -2.944 1.00 0.00 H new ATOM 1266 N ILE A 81 95.876 -1.403 -2.120 1.00 0.00 N ATOM 1267 CA ILE A 81 96.600 -0.428 -2.931 1.00 0.00 C ATOM 1268 C ILE A 81 96.374 -0.699 -4.415 1.00 0.00 C ATOM 1269 O ILE A 81 97.092 -1.489 -5.028 1.00 0.00 O ATOM 1270 CB ILE A 81 98.095 -0.498 -2.615 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.319 -0.225 -1.118 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.837 0.554 -3.445 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.199 -1.528 -0.314 1.00 0.00 C ATOM 0 H ILE A 81 96.004 -2.373 -2.409 1.00 0.00 H new ATOM 0 HA ILE A 81 96.227 0.569 -2.695 1.00 0.00 H new ATOM 0 HB ILE A 81 98.474 -1.490 -2.860 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.305 0.215 -0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 81 97.588 0.500 -0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 81 99.903 0.507 -3.223 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.679 0.359 -4.506 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.458 1.546 -3.198 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.360 -1.319 0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 81 97.204 -1.951 -0.453 1.00 0.00 H new ATOM 0 HD13 ILE A 81 98.948 -2.240 -0.661 1.00 0.00 H new ATOM 1285 N PHE A 82 95.369 -0.038 -4.986 1.00 0.00 N ATOM 1286 CA PHE A 82 95.046 -0.213 -6.402 1.00 0.00 C ATOM 1287 C PHE A 82 94.990 1.137 -7.110 1.00 0.00 C ATOM 1288 O PHE A 82 95.873 1.471 -7.900 1.00 0.00 O ATOM 1289 CB PHE A 82 93.696 -0.919 -6.541 1.00 0.00 C ATOM 1290 CG PHE A 82 93.376 -1.121 -8.004 1.00 0.00 C ATOM 1291 CD1 PHE A 82 94.123 -2.030 -8.764 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.335 -0.400 -8.601 1.00 0.00 C ATOM 1293 CE1 PHE A 82 93.828 -2.219 -10.119 1.00 0.00 C ATOM 1294 CE2 PHE A 82 92.040 -0.589 -9.957 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.787 -1.498 -10.715 1.00 0.00 C ATOM 0 H PHE A 82 94.766 0.621 -4.493 1.00 0.00 H new ATOM 0 HA PHE A 82 95.826 -0.819 -6.863 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.723 -1.881 -6.028 1.00 0.00 H new ATOM 0 HB3 PHE A 82 92.914 -0.326 -6.066 1.00 0.00 H new ATOM 0 HD1 PHE A 82 94.927 -2.585 -8.304 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.759 0.302 -8.016 1.00 0.00 H new ATOM 0 HE1 PHE A 82 94.403 -2.921 -10.704 1.00 0.00 H new ATOM 0 HE2 PHE A 82 91.236 -0.034 -10.418 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.560 -1.643 -11.761 1.00 0.00 H new ATOM 1305 N ALA A 83 93.945 1.908 -6.823 1.00 0.00 N ATOM 1306 CA ALA A 83 93.782 3.220 -7.440 1.00 0.00 C ATOM 1307 C ALA A 83 92.596 3.954 -6.824 1.00 0.00 C ATOM 1308 O ALA A 83 91.463 3.476 -6.878 1.00 0.00 O ATOM 1309 CB ALA A 83 93.564 3.067 -8.946 1.00 0.00 C ATOM 0 H ALA A 83 93.204 1.649 -6.172 1.00 0.00 H new ATOM 0 HA ALA A 83 94.688 3.800 -7.263 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.443 4.051 -9.398 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.425 2.567 -9.389 1.00 0.00 H new ATOM 0 HB3 ALA A 83 92.668 2.473 -9.125 1.00 0.00 H new ATOM 1315 N GLY A 84 92.864 5.115 -6.238 1.00 0.00 N ATOM 1316 CA GLY A 84 91.808 5.905 -5.614 1.00 0.00 C ATOM 1317 C GLY A 84 90.946 6.595 -6.666 1.00 0.00 C ATOM 1318 O GLY A 84 91.214 6.497 -7.864 1.00 0.00 O ATOM 0 H GLY A 84 93.795 5.528 -6.182 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.185 5.260 -4.994 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.250 6.652 -4.954 1.00 0.00 H new ATOM 1322 N ILE A 85 89.912 7.294 -6.210 1.00 0.00 N ATOM 1323 CA ILE A 85 89.013 8.001 -7.118 1.00 0.00 C ATOM 1324 C ILE A 85 89.514 9.425 -7.355 1.00 0.00 C ATOM 1325 O ILE A 85 90.336 9.935 -6.593 1.00 0.00 O ATOM 1326 CB ILE A 85 87.603 8.034 -6.525 1.00 0.00 C ATOM 1327 CG1 ILE A 85 87.043 6.602 -6.443 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.695 8.900 -7.401 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.346 6.225 -7.755 1.00 0.00 C ATOM 0 H ILE A 85 89.675 7.387 -5.222 1.00 0.00 H new ATOM 0 HA ILE A 85 88.989 7.476 -8.073 1.00 0.00 H new ATOM 0 HB ILE A 85 87.642 8.460 -5.523 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.851 5.900 -6.238 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.338 6.527 -5.615 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.692 8.921 -6.976 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.092 9.914 -7.445 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.654 8.482 -8.407 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.956 5.210 -7.681 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.525 6.917 -7.943 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.061 6.280 -8.576 1.00 0.00 H new ATOM 1341 N LYS A 86 89.027 10.057 -8.423 1.00 0.00 N ATOM 1342 CA LYS A 86 89.450 11.417 -8.755 1.00 0.00 C ATOM 1343 C LYS A 86 88.345 12.437 -8.478 1.00 0.00 C ATOM 1344 O LYS A 86 88.476 13.276 -7.587 1.00 0.00 O ATOM 1345 CB LYS A 86 89.847 11.486 -10.230 1.00 0.00 C ATOM 1346 CG LYS A 86 91.133 10.687 -10.450 1.00 0.00 C ATOM 1347 CD LYS A 86 91.361 10.483 -11.949 1.00 0.00 C ATOM 1348 CE LYS A 86 92.557 9.553 -12.162 1.00 0.00 C ATOM 1349 NZ LYS A 86 92.720 9.277 -13.618 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.346 9.654 -9.067 1.00 0.00 H new ATOM 0 HA LYS A 86 90.303 11.664 -8.124 1.00 0.00 H new ATOM 0 HB2 LYS A 86 89.047 11.086 -10.852 1.00 0.00 H new ATOM 0 HB3 LYS A 86 89.995 12.523 -10.530 1.00 0.00 H new ATOM 0 HG2 LYS A 86 91.980 11.214 -10.012 1.00 0.00 H new ATOM 0 HG3 LYS A 86 91.064 9.722 -9.948 1.00 0.00 H new ATOM 0 HD2 LYS A 86 90.469 10.057 -12.408 1.00 0.00 H new ATOM 0 HD3 LYS A 86 91.542 11.442 -12.434 1.00 0.00 H new ATOM 0 HE2 LYS A 86 93.463 10.011 -11.764 1.00 0.00 H new ATOM 0 HE3 LYS A 86 92.407 8.620 -11.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 93.533 8.645 -13.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 91.859 8.823 -13.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 92.882 10.171 -14.125 1.00 0.00 H new ATOM 1363 N LYS A 87 87.267 12.376 -9.258 1.00 0.00 N ATOM 1364 CA LYS A 87 86.164 13.321 -9.090 1.00 0.00 C ATOM 1365 C LYS A 87 85.262 12.925 -7.926 1.00 0.00 C ATOM 1366 O LYS A 87 85.291 11.787 -7.455 1.00 0.00 O ATOM 1367 CB LYS A 87 85.334 13.394 -10.373 1.00 0.00 C ATOM 1368 CG LYS A 87 86.258 13.616 -11.575 1.00 0.00 C ATOM 1369 CD LYS A 87 86.932 14.987 -11.464 1.00 0.00 C ATOM 1370 CE LYS A 87 87.462 15.412 -12.837 1.00 0.00 C ATOM 1371 NZ LYS A 87 88.521 14.460 -13.277 1.00 0.00 N1+ ATOM 0 H LYS A 87 87.134 11.692 -10.003 1.00 0.00 H new ATOM 0 HA LYS A 87 86.596 14.298 -8.873 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.767 12.472 -10.503 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.610 14.206 -10.304 1.00 0.00 H new ATOM 0 HG2 LYS A 87 87.013 12.831 -11.615 1.00 0.00 H new ATOM 0 HG3 LYS A 87 85.686 13.555 -12.501 1.00 0.00 H new ATOM 0 HD2 LYS A 87 86.220 15.725 -11.094 1.00 0.00 H new ATOM 0 HD3 LYS A 87 87.750 14.944 -10.745 1.00 0.00 H new ATOM 0 HE2 LYS A 87 86.649 15.429 -13.563 1.00 0.00 H new ATOM 0 HE3 LYS A 87 87.865 16.423 -12.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 89.020 14.853 -14.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 89.197 14.310 -12.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 88.085 13.552 -13.537 1.00 0.00 H new ATOM 1385 N LYS A 88 84.457 13.878 -7.467 1.00 0.00 N ATOM 1386 CA LYS A 88 83.542 13.627 -6.360 1.00 0.00 C ATOM 1387 C LYS A 88 82.409 12.711 -6.807 1.00 0.00 C ATOM 1388 O LYS A 88 82.168 11.670 -6.200 1.00 0.00 O ATOM 1389 CB LYS A 88 82.963 14.950 -5.850 1.00 0.00 C ATOM 1390 CG LYS A 88 81.951 14.679 -4.729 1.00 0.00 C ATOM 1391 CD LYS A 88 81.390 16.009 -4.209 1.00 0.00 C ATOM 1392 CE LYS A 88 79.934 15.820 -3.772 1.00 0.00 C ATOM 1393 NZ LYS A 88 79.527 16.954 -2.895 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.420 14.826 -7.842 1.00 0.00 H new ATOM 0 HA LYS A 88 84.094 13.141 -5.556 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.765 15.590 -5.481 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.479 15.484 -6.667 1.00 0.00 H new ATOM 0 HG2 LYS A 88 81.141 14.052 -5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 88 82.430 14.133 -3.917 1.00 0.00 H new ATOM 0 HD2 LYS A 88 81.988 16.364 -3.370 1.00 0.00 H new ATOM 0 HD3 LYS A 88 81.450 16.769 -4.988 1.00 0.00 H new ATOM 0 HE2 LYS A 88 79.284 15.771 -4.646 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.823 14.876 -3.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 78.539 16.826 -2.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 80.140 16.981 -2.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 79.618 17.848 -3.419 1.00 0.00 H new ATOM 1407 N THR A 89 81.715 13.105 -7.871 1.00 0.00 N ATOM 1408 CA THR A 89 80.607 12.304 -8.378 1.00 0.00 C ATOM 1409 C THR A 89 81.038 10.858 -8.568 1.00 0.00 C ATOM 1410 O THR A 89 80.219 9.944 -8.500 1.00 0.00 O ATOM 1411 CB THR A 89 80.105 12.865 -9.707 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.195 12.989 -10.611 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.469 14.236 -9.475 1.00 0.00 C ATOM 0 H THR A 89 81.897 13.962 -8.392 1.00 0.00 H new ATOM 0 HA THR A 89 79.800 12.343 -7.647 1.00 0.00 H new ATOM 0 HB THR A 89 79.361 12.190 -10.130 1.00 0.00 H new ATOM 0 HG1 THR A 89 80.873 13.347 -11.464 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.111 14.636 -10.424 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.632 14.137 -8.784 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.210 14.914 -9.052 1.00 0.00 H new ATOM 1421 N GLU A 90 82.330 10.651 -8.791 1.00 0.00 N ATOM 1422 CA GLU A 90 82.843 9.300 -8.966 1.00 0.00 C ATOM 1423 C GLU A 90 82.719 8.548 -7.649 1.00 0.00 C ATOM 1424 O GLU A 90 82.354 7.373 -7.622 1.00 0.00 O ATOM 1425 CB GLU A 90 84.308 9.339 -9.408 1.00 0.00 C ATOM 1426 CG GLU A 90 84.396 9.724 -10.886 1.00 0.00 C ATOM 1427 CD GLU A 90 85.810 10.186 -11.222 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.669 10.072 -10.362 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 86.014 10.649 -12.331 1.00 0.00 O ATOM 0 H GLU A 90 83.031 11.389 -8.854 1.00 0.00 H new ATOM 0 HA GLU A 90 82.264 8.792 -9.737 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.861 10.058 -8.803 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.771 8.365 -9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 90 84.126 8.871 -11.509 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.683 10.519 -11.106 1.00 0.00 H new ATOM 1436 N ARG A 91 83.010 9.247 -6.557 1.00 0.00 N ATOM 1437 CA ARG A 91 82.916 8.655 -5.230 1.00 0.00 C ATOM 1438 C ARG A 91 81.456 8.549 -4.804 1.00 0.00 C ATOM 1439 O ARG A 91 81.009 7.500 -4.353 1.00 0.00 O ATOM 1440 CB ARG A 91 83.681 9.515 -4.219 1.00 0.00 C ATOM 1441 CG ARG A 91 85.159 9.565 -4.609 1.00 0.00 C ATOM 1442 CD ARG A 91 85.997 10.121 -3.446 1.00 0.00 C ATOM 1443 NE ARG A 91 86.638 11.369 -3.843 1.00 0.00 N ATOM 1444 CZ ARG A 91 85.999 12.534 -3.763 1.00 0.00 C ATOM 1445 NH1 ARG A 91 84.769 12.582 -3.329 1.00 0.00 N ATOM 1446 NH2 ARG A 91 86.605 13.633 -4.122 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.312 10.221 -6.566 1.00 0.00 H new ATOM 0 HA ARG A 91 83.353 7.657 -5.261 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.266 10.523 -4.194 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.572 9.101 -3.217 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.507 8.566 -4.872 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.289 10.191 -5.492 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.361 10.290 -2.577 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.752 9.393 -3.151 1.00 0.00 H new ATOM 0 HE ARG A 91 87.597 11.349 -4.190 1.00 0.00 H new ATOM 0 HH11 ARG A 91 84.293 11.724 -3.049 1.00 0.00 H new ATOM 0 HH12 ARG A 91 84.284 13.477 -3.270 1.00 0.00 H new ATOM 0 HH21 ARG A 91 87.566 13.598 -4.463 1.00 0.00 H new ATOM 0 HH22 ARG A 91 86.118 14.527 -4.062 1.00 0.00 H new ATOM 1460 N GLU A 92 80.716 9.644 -4.955 1.00 0.00 N ATOM 1461 CA GLU A 92 79.306 9.655 -4.583 1.00 0.00 C ATOM 1462 C GLU A 92 78.549 8.584 -5.360 1.00 0.00 C ATOM 1463 O GLU A 92 77.870 7.742 -4.774 1.00 0.00 O ATOM 1464 CB GLU A 92 78.698 11.028 -4.873 1.00 0.00 C ATOM 1465 CG GLU A 92 77.340 11.142 -4.178 1.00 0.00 C ATOM 1466 CD GLU A 92 76.620 12.404 -4.640 1.00 0.00 C ATOM 1467 OE1 GLU A 92 77.067 12.996 -5.610 1.00 0.00 O1- ATOM 1468 OE2 GLU A 92 75.633 12.761 -4.020 1.00 0.00 O ATOM 0 H GLU A 92 81.065 10.526 -5.329 1.00 0.00 H new ATOM 0 HA GLU A 92 79.225 9.445 -3.516 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.366 11.815 -4.521 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.581 11.166 -5.948 1.00 0.00 H new ATOM 0 HG2 GLU A 92 76.733 10.265 -4.402 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.477 11.167 -3.097 1.00 0.00 H new ATOM 1475 N ASP A 93 78.680 8.614 -6.684 1.00 0.00 N ATOM 1476 CA ASP A 93 78.010 7.630 -7.526 1.00 0.00 C ATOM 1477 C ASP A 93 78.467 6.225 -7.150 1.00 0.00 C ATOM 1478 O ASP A 93 77.650 5.330 -6.936 1.00 0.00 O ATOM 1479 CB ASP A 93 78.326 7.896 -8.998 1.00 0.00 C ATOM 1480 CG ASP A 93 77.820 9.277 -9.400 1.00 0.00 C ATOM 1481 OD1 ASP A 93 77.863 10.167 -8.567 1.00 0.00 O1- ATOM 1482 OD2 ASP A 93 77.397 9.425 -10.535 1.00 0.00 O ATOM 0 H ASP A 93 79.238 9.301 -7.191 1.00 0.00 H new ATOM 0 HA ASP A 93 76.934 7.711 -7.371 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.401 7.831 -9.165 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.860 7.133 -9.622 1.00 0.00 H new ATOM 1487 N LEU A 94 79.781 6.045 -7.065 1.00 0.00 N ATOM 1488 CA LEU A 94 80.347 4.751 -6.708 1.00 0.00 C ATOM 1489 C LEU A 94 79.811 4.293 -5.362 1.00 0.00 C ATOM 1490 O LEU A 94 79.553 3.108 -5.151 1.00 0.00 O ATOM 1491 CB LEU A 94 81.871 4.852 -6.623 1.00 0.00 C ATOM 1492 CG LEU A 94 82.458 3.530 -6.128 1.00 0.00 C ATOM 1493 CD1 LEU A 94 81.986 2.392 -7.028 1.00 0.00 C ATOM 1494 CD2 LEU A 94 83.984 3.610 -6.161 1.00 0.00 C ATOM 0 H LEU A 94 80.471 6.776 -7.238 1.00 0.00 H new ATOM 0 HA LEU A 94 80.066 4.031 -7.476 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.282 5.098 -7.602 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.153 5.660 -5.947 1.00 0.00 H new ATOM 0 HG LEU A 94 82.125 3.343 -5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.405 1.450 -6.674 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.898 2.337 -7.004 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.317 2.575 -8.050 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.405 2.669 -5.808 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.317 3.797 -7.182 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.320 4.422 -5.516 1.00 0.00 H new ATOM 1506 N ILE A 95 79.665 5.242 -4.449 1.00 0.00 N ATOM 1507 CA ILE A 95 79.179 4.927 -3.119 1.00 0.00 C ATOM 1508 C ILE A 95 77.683 4.650 -3.149 1.00 0.00 C ATOM 1509 O ILE A 95 77.173 3.861 -2.355 1.00 0.00 O ATOM 1510 CB ILE A 95 79.512 6.076 -2.157 1.00 0.00 C ATOM 1511 CG1 ILE A 95 80.987 5.946 -1.733 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.605 6.007 -0.918 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.635 7.327 -1.578 1.00 0.00 C ATOM 0 H ILE A 95 79.875 6.228 -4.605 1.00 0.00 H new ATOM 0 HA ILE A 95 79.675 4.025 -2.762 1.00 0.00 H new ATOM 0 HB ILE A 95 79.348 7.033 -2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 95 81.052 5.401 -0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.533 5.365 -2.476 1.00 0.00 H new ATOM 0 HG21 ILE A 95 78.849 6.826 -0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.562 6.089 -1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 95 78.759 5.057 -0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.676 7.209 -1.278 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.589 7.859 -2.528 1.00 0.00 H new ATOM 0 HD13 ILE A 95 81.101 7.896 -0.817 1.00 0.00 H new ATOM 1525 N ALA A 96 76.987 5.280 -4.086 1.00 0.00 N ATOM 1526 CA ALA A 96 75.555 5.061 -4.215 1.00 0.00 C ATOM 1527 C ALA A 96 75.303 3.595 -4.546 1.00 0.00 C ATOM 1528 O ALA A 96 74.335 2.993 -4.076 1.00 0.00 O ATOM 1529 CB ALA A 96 74.985 5.952 -5.320 1.00 0.00 C ATOM 0 H ALA A 96 77.384 5.937 -4.758 1.00 0.00 H new ATOM 0 HA ALA A 96 75.062 5.314 -3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.912 5.780 -5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.166 6.998 -5.073 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.470 5.713 -6.266 1.00 0.00 H new ATOM 1535 N TYR A 97 76.199 3.023 -5.346 1.00 0.00 N ATOM 1536 CA TYR A 97 76.084 1.623 -5.723 1.00 0.00 C ATOM 1537 C TYR A 97 76.492 0.732 -4.554 1.00 0.00 C ATOM 1538 O TYR A 97 75.767 -0.186 -4.183 1.00 0.00 O ATOM 1539 CB TYR A 97 76.973 1.322 -6.934 1.00 0.00 C ATOM 1540 CG TYR A 97 77.013 -0.171 -7.176 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.942 -0.805 -7.818 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.117 -0.921 -6.754 1.00 0.00 C ATOM 1543 CE1 TYR A 97 75.976 -2.188 -8.037 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.150 -2.303 -6.973 1.00 0.00 C ATOM 1545 CZ TYR A 97 77.081 -2.936 -7.614 1.00 0.00 C ATOM 1546 OH TYR A 97 77.114 -4.298 -7.831 1.00 0.00 O ATOM 0 H TYR A 97 77.006 3.506 -5.742 1.00 0.00 H new ATOM 0 HA TYR A 97 75.046 1.419 -5.986 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.588 1.833 -7.816 1.00 0.00 H new ATOM 0 HB3 TYR A 97 77.981 1.700 -6.761 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.090 -0.227 -8.144 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.944 -0.433 -6.259 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.150 -2.677 -8.532 1.00 0.00 H new ATOM 0 HE2 TYR A 97 79.002 -2.881 -6.647 1.00 0.00 H new ATOM 0 HH TYR A 97 78.039 -4.582 -7.988 1.00 0.00 H new ATOM 1556 N LEU A 98 77.657 1.015 -3.974 1.00 0.00 N ATOM 1557 CA LEU A 98 78.144 0.233 -2.844 1.00 0.00 C ATOM 1558 C LEU A 98 77.065 0.127 -1.767 1.00 0.00 C ATOM 1559 O LEU A 98 77.078 -0.794 -0.954 1.00 0.00 O ATOM 1560 CB LEU A 98 79.399 0.890 -2.249 1.00 0.00 C ATOM 1561 CG LEU A 98 80.642 0.496 -3.067 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.745 1.547 -2.908 1.00 0.00 C ATOM 1563 CD2 LEU A 98 81.174 -0.846 -2.566 1.00 0.00 C ATOM 0 H LEU A 98 78.275 1.773 -4.266 1.00 0.00 H new ATOM 0 HA LEU A 98 78.394 -0.767 -3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 98 79.285 1.974 -2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.524 0.580 -1.211 1.00 0.00 H new ATOM 0 HG LEU A 98 80.358 0.426 -4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.616 1.252 -3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.381 2.512 -3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 98 82.024 1.626 -1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 98 82.054 -1.127 -3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.443 -0.761 -1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.404 -1.609 -2.683 1.00 0.00 H new ATOM 1575 N LYS A 99 76.136 1.081 -1.763 1.00 0.00 N ATOM 1576 CA LYS A 99 75.062 1.084 -0.772 1.00 0.00 C ATOM 1577 C LYS A 99 73.954 0.109 -1.163 1.00 0.00 C ATOM 1578 O LYS A 99 73.545 -0.731 -0.360 1.00 0.00 O ATOM 1579 CB LYS A 99 74.480 2.496 -0.633 1.00 0.00 C ATOM 1580 CG LYS A 99 75.362 3.335 0.301 1.00 0.00 C ATOM 1581 CD LYS A 99 74.638 4.633 0.670 1.00 0.00 C ATOM 1582 CE LYS A 99 74.575 5.554 -0.549 1.00 0.00 C ATOM 1583 NZ LYS A 99 74.191 6.928 -0.116 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.105 1.854 -2.427 1.00 0.00 H new ATOM 0 HA LYS A 99 75.481 0.767 0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.417 2.971 -1.612 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.465 2.443 -0.239 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.595 2.769 1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.310 3.562 -0.186 1.00 0.00 H new ATOM 0 HD2 LYS A 99 73.631 4.411 1.022 1.00 0.00 H new ATOM 0 HD3 LYS A 99 75.159 5.131 1.488 1.00 0.00 H new ATOM 0 HE2 LYS A 99 75.542 5.577 -1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.851 5.173 -1.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 73.516 7.331 -0.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 73.750 6.885 0.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 75.039 7.528 -0.073 1.00 0.00 H new ATOM 1597 N LYS A 100 73.464 0.228 -2.393 1.00 0.00 N ATOM 1598 CA LYS A 100 72.395 -0.650 -2.863 1.00 0.00 C ATOM 1599 C LYS A 100 72.924 -2.057 -3.130 1.00 0.00 C ATOM 1600 O LYS A 100 72.158 -3.019 -3.176 1.00 0.00 O ATOM 1601 CB LYS A 100 71.778 -0.085 -4.147 1.00 0.00 C ATOM 1602 CG LYS A 100 70.404 -0.730 -4.391 1.00 0.00 C ATOM 1603 CD LYS A 100 70.156 -0.877 -5.899 1.00 0.00 C ATOM 1604 CE LYS A 100 70.788 -2.178 -6.401 1.00 0.00 C ATOM 1605 NZ LYS A 100 69.952 -3.336 -5.974 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.784 0.915 -3.076 1.00 0.00 H new ATOM 0 HA LYS A 100 71.634 -0.704 -2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 100 71.673 0.997 -4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 100 72.437 -0.279 -4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.361 -1.707 -3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 100 69.621 -0.119 -3.943 1.00 0.00 H new ATOM 0 HD2 LYS A 100 69.085 -0.879 -6.103 1.00 0.00 H new ATOM 0 HD3 LYS A 100 70.580 -0.026 -6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 100 70.872 -2.158 -7.488 1.00 0.00 H new ATOM 0 HE3 LYS A 100 71.798 -2.280 -6.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 70.566 -4.147 -5.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 69.410 -3.078 -5.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 69.296 -3.591 -6.739 1.00 0.00 H new ATOM 1619 N ALA A 101 74.235 -2.168 -3.308 1.00 0.00 N ATOM 1620 CA ALA A 101 74.857 -3.460 -3.574 1.00 0.00 C ATOM 1621 C ALA A 101 75.174 -4.183 -2.271 1.00 0.00 C ATOM 1622 O ALA A 101 75.135 -5.411 -2.207 1.00 0.00 O ATOM 1623 CB ALA A 101 76.143 -3.265 -4.376 1.00 0.00 C ATOM 0 H ALA A 101 74.886 -1.383 -3.273 1.00 0.00 H new ATOM 0 HA ALA A 101 74.157 -4.065 -4.150 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.601 -4.235 -4.570 1.00 0.00 H new ATOM 0 HB2 ALA A 101 75.911 -2.777 -5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.835 -2.644 -3.808 1.00 0.00 H new ATOM 1629 N THR A 102 75.485 -3.413 -1.234 1.00 0.00 N ATOM 1630 CA THR A 102 75.806 -3.995 0.065 1.00 0.00 C ATOM 1631 C THR A 102 74.535 -4.195 0.874 1.00 0.00 C ATOM 1632 O THR A 102 74.544 -4.836 1.925 1.00 0.00 O ATOM 1633 CB THR A 102 76.763 -3.076 0.828 1.00 0.00 C ATOM 1634 OG1 THR A 102 76.180 -1.787 0.952 1.00 0.00 O ATOM 1635 CG2 THR A 102 78.085 -2.973 0.069 1.00 0.00 C ATOM 0 H THR A 102 75.522 -2.394 -1.266 1.00 0.00 H new ATOM 0 HA THR A 102 76.286 -4.961 -0.092 1.00 0.00 H new ATOM 0 HB THR A 102 76.949 -3.486 1.821 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.192 -1.337 0.081 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.766 -2.318 0.612 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.530 -3.964 -0.023 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.903 -2.563 -0.924 1.00 0.00 H new ATOM 1643 N ASN A 103 73.443 -3.638 0.369 1.00 0.00 N ATOM 1644 CA ASN A 103 72.154 -3.747 1.037 1.00 0.00 C ATOM 1645 C ASN A 103 71.425 -5.007 0.579 1.00 0.00 C ATOM 1646 O ASN A 103 70.589 -5.551 1.301 1.00 0.00 O ATOM 1647 CB ASN A 103 71.309 -2.512 0.716 1.00 0.00 C ATOM 1648 CG ASN A 103 71.674 -1.370 1.656 1.00 0.00 C ATOM 1649 OD1 ASN A 103 70.855 -0.487 1.909 1.00 0.00 O ATOM 1650 ND2 ASN A 103 72.861 -1.335 2.189 1.00 0.00 N ATOM 0 H ASN A 103 73.424 -3.106 -0.501 1.00 0.00 H new ATOM 0 HA ASN A 103 72.315 -3.809 2.113 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.472 -2.209 -0.318 1.00 0.00 H new ATOM 0 HB3 ASN A 103 70.250 -2.750 0.815 1.00 0.00 H new ATOM 0 HD21 ASN A 103 73.115 -0.574 2.819 1.00 0.00 H new ATOM 0 HD22 ASN A 103 73.537 -2.069 1.977 1.00 0.00 H new ATOM 1657 N GLU A 104 71.747 -5.462 -0.627 1.00 0.00 N ATOM 1658 CA GLU A 104 71.118 -6.657 -1.177 1.00 0.00 C ATOM 1659 C GLU A 104 71.989 -7.266 -2.271 1.00 0.00 C ATOM 1660 O GLU A 104 72.595 -6.508 -3.010 1.00 0.00 O ATOM 1661 CB GLU A 104 69.745 -6.307 -1.752 1.00 0.00 C ATOM 1662 CG GLU A 104 69.888 -5.158 -2.752 1.00 0.00 C ATOM 1663 CD GLU A 104 68.510 -4.667 -3.180 1.00 0.00 C ATOM 1664 OE1 GLU A 104 67.694 -4.417 -2.310 1.00 0.00 O1- ATOM 1665 OE2 GLU A 104 68.291 -4.547 -4.376 1.00 0.00 O ATOM 1666 OXT GLU A 104 72.037 -8.482 -2.354 1.00 0.00 O ATOM 0 H GLU A 104 72.436 -5.024 -1.239 1.00 0.00 H new ATOM 0 HA GLU A 104 71.001 -7.385 -0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 104 69.312 -7.178 -2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 104 69.065 -6.022 -0.949 1.00 0.00 H new ATOM 0 HG2 GLU A 104 70.451 -4.341 -2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 104 70.452 -5.491 -3.623 1.00 0.00 H new