USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=32 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 -100:sc= 0.824 USER MOD Set 1.2: A 103 ASN : amide:sc= -5.34! C(o=-4.5!,f=-1.6!) USER MOD Set 2.1: A 67 TYR OH : rot 44:sc= 0.697 USER MOD Set 2.2: A 80 MET CE :methyl -106:sc= -0.117 (180deg=-1.39) USER MOD Set 3.1: A 39 LYS NZ :NH3+ -134:sc= -0.243 (180deg=-2.34!) USER MOD Set 3.2: A 58 THR OG1 : rot -128:sc= 0.737 USER MOD Set 4.1: A 31 ASN : amide:sc= -8.38! C(o=-15!,f=-20!) USER MOD Set 4.2: A 33 HIS : no HD1:sc= -6.35! C(o=-15!,f=-22!) USER MOD Single : A 5 LYS NZ :NH3+ -150:sc= 0.335 (180deg=0.0745) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.0112) USER MOD Single : A 12 GLN : amide:sc= -1.93! C(o=-1.9!,f=-2.6!) USER MOD Single : A 13 LYS NZ :NH3+ 143:sc=-0.00805 (180deg=-1.26!) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0587 USER MOD Single : A 16 GLN : amide:sc= -0.619 K(o=-0.62,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.577 USER MOD Single : A 18 HIS : no HD1:sc= -4.33! C(o=-4.3!,f=-6.3!) USER MOD Single : A 19 THR OG1 : rot -138:sc= 0.00226 USER MOD Single : A 22 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.106) USER MOD Single : A 25 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0455) USER MOD Single : A 26 HIS : no HE2:sc= 0.291 K(o=0.29,f=-4.8!) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= -0.113 (180deg=-0.657) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 92:sc= -0.659 USER MOD Single : A 42 GLN : amide:sc= -3.55! K(o=-3.6!,f=0.35) USER MOD Single : A 47 THR OG1 : rot 29:sc= 0.426 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 141:sc= -0.557 USER MOD Single : A 52 ASN : amide:sc= -1.07 K(o=-1.1,f=-4.4!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -10.7! C(o=-11!,f=-4.9!) 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 81:sc= -2.26! USER MOD Single : A 65 MET CE :methyl -162:sc= 0 (180deg=-0.019) USER MOD Single : A 70 ASN : amide:sc= -6.92! K(o=-6.9!,f=-1.2) USER MOD Single : A 72 LYS NZ :NH3+ -164:sc= -1.17 (180deg=-2.04!) USER MOD Single : A 73 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.12) USER MOD Single : A 74 TYR OH : rot 20:sc= 0.698 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.279) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 163:sc= -0.0031 (180deg=-0.154) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 144:sc= 0.106 USER MOD Single : A 99 LYS NZ :NH3+ -178:sc= 0.579 (180deg=0.575) USER MOD Single : A 100 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0502) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 74.345 8.270 -8.881 1.00 0.00 N ATOM 11 CA ASP A 2 73.927 7.509 -10.055 1.00 0.00 C ATOM 12 C ASP A 2 74.329 6.047 -9.919 1.00 0.00 C ATOM 13 O ASP A 2 75.376 5.632 -10.413 1.00 0.00 O ATOM 14 CB ASP A 2 74.564 8.092 -11.315 1.00 0.00 C ATOM 15 CG ASP A 2 73.964 9.460 -11.624 1.00 0.00 C ATOM 16 OD1 ASP A 2 73.892 10.273 -10.718 1.00 0.00 O ATOM 17 OD2 ASP A 2 73.586 9.675 -12.764 1.00 0.00 O1- ATOM 0 HA ASP A 2 72.842 7.574 -10.132 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.642 8.182 -11.178 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.405 7.418 -12.157 1.00 0.00 H new ATOM 22 N VAL A 3 73.484 5.271 -9.254 1.00 0.00 N ATOM 23 CA VAL A 3 73.750 3.854 -9.064 1.00 0.00 C ATOM 24 C VAL A 3 74.157 3.209 -10.386 1.00 0.00 C ATOM 25 O VAL A 3 74.748 2.129 -10.405 1.00 0.00 O ATOM 26 CB VAL A 3 72.498 3.165 -8.517 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.337 3.377 -9.488 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.764 1.667 -8.358 1.00 0.00 C ATOM 0 H VAL A 3 72.612 5.598 -8.839 1.00 0.00 H new ATOM 0 HA VAL A 3 74.568 3.741 -8.352 1.00 0.00 H new ATOM 0 HB VAL A 3 72.244 3.591 -7.546 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.444 2.887 -9.100 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.146 4.444 -9.599 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.592 2.951 -10.458 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.871 1.178 -7.968 1.00 0.00 H new ATOM 0 HG22 VAL A 3 73.019 1.238 -9.327 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.592 1.516 -7.665 1.00 0.00 H new ATOM 38 N GLU A 4 73.836 3.878 -11.490 1.00 0.00 N ATOM 39 CA GLU A 4 74.174 3.353 -12.810 1.00 0.00 C ATOM 40 C GLU A 4 75.668 3.497 -13.082 1.00 0.00 C ATOM 41 O GLU A 4 76.363 2.508 -13.316 1.00 0.00 O ATOM 42 CB GLU A 4 73.383 4.097 -13.888 1.00 0.00 C ATOM 43 CG GLU A 4 71.892 4.057 -13.546 1.00 0.00 C ATOM 44 CD GLU A 4 71.083 4.699 -14.669 1.00 0.00 C ATOM 45 OE1 GLU A 4 71.624 5.556 -15.347 1.00 0.00 O1- ATOM 46 OE2 GLU A 4 69.934 4.323 -14.833 1.00 0.00 O ATOM 0 H GLU A 4 73.348 4.774 -11.499 1.00 0.00 H new ATOM 0 HA GLU A 4 73.914 2.295 -12.834 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.724 5.130 -13.956 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.556 3.639 -14.862 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.571 3.026 -13.399 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.711 4.584 -12.609 1.00 0.00 H new ATOM 53 N LYS A 5 76.159 4.730 -13.037 1.00 0.00 N ATOM 54 CA LYS A 5 77.576 4.975 -13.273 1.00 0.00 C ATOM 55 C LYS A 5 78.385 4.472 -12.087 1.00 0.00 C ATOM 56 O LYS A 5 79.583 4.212 -12.203 1.00 0.00 O ATOM 57 CB LYS A 5 77.830 6.470 -13.486 1.00 0.00 C ATOM 58 CG LYS A 5 77.496 6.847 -14.933 1.00 0.00 C ATOM 59 CD LYS A 5 77.401 8.373 -15.065 1.00 0.00 C ATOM 60 CE LYS A 5 75.971 8.832 -14.766 1.00 0.00 C ATOM 61 NZ LYS A 5 75.970 10.289 -14.456 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.606 5.565 -12.842 1.00 0.00 H new ATOM 0 HA LYS A 5 77.884 4.440 -14.172 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.220 7.055 -12.797 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.872 6.707 -13.269 1.00 0.00 H new ATOM 0 HG2 LYS A 5 78.263 6.462 -15.605 1.00 0.00 H new ATOM 0 HG3 LYS A 5 76.553 6.388 -15.229 1.00 0.00 H new ATOM 0 HD2 LYS A 5 78.098 8.851 -14.376 1.00 0.00 H new ATOM 0 HD3 LYS A 5 77.688 8.679 -16.071 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.327 8.631 -15.622 1.00 0.00 H new ATOM 0 HE3 LYS A 5 75.566 8.270 -13.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 75.196 10.503 -13.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 76.878 10.552 -14.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 75.836 10.831 -15.334 1.00 0.00 H new ATOM 75 N GLY A 6 77.713 4.309 -10.954 1.00 0.00 N ATOM 76 CA GLY A 6 78.373 3.805 -9.761 1.00 0.00 C ATOM 77 C GLY A 6 78.675 2.329 -9.949 1.00 0.00 C ATOM 78 O GLY A 6 79.692 1.818 -9.478 1.00 0.00 O ATOM 0 H GLY A 6 76.721 4.517 -10.838 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.295 4.358 -9.579 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.736 3.951 -8.888 1.00 0.00 H new ATOM 82 N LYS A 7 77.781 1.655 -10.667 1.00 0.00 N ATOM 83 CA LYS A 7 77.949 0.241 -10.948 1.00 0.00 C ATOM 84 C LYS A 7 79.112 0.040 -11.912 1.00 0.00 C ATOM 85 O LYS A 7 79.924 -0.866 -11.736 1.00 0.00 O ATOM 86 CB LYS A 7 76.667 -0.325 -11.564 1.00 0.00 C ATOM 87 CG LYS A 7 76.728 -1.857 -11.566 1.00 0.00 C ATOM 88 CD LYS A 7 75.771 -2.418 -12.626 1.00 0.00 C ATOM 89 CE LYS A 7 76.492 -2.517 -13.973 1.00 0.00 C ATOM 90 NZ LYS A 7 75.544 -3.016 -15.009 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.936 2.068 -11.062 1.00 0.00 H new ATOM 0 HA LYS A 7 78.160 -0.283 -10.016 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.800 0.013 -10.997 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.547 0.045 -12.582 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.746 -2.189 -11.771 1.00 0.00 H new ATOM 0 HG3 LYS A 7 76.460 -2.241 -10.582 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.412 -3.401 -12.322 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.896 -1.774 -12.717 1.00 0.00 H new ATOM 0 HE2 LYS A 7 76.882 -1.541 -14.261 1.00 0.00 H new ATOM 0 HE3 LYS A 7 77.346 -3.190 -13.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 76.034 -3.083 -15.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 75.193 -3.956 -14.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 74.743 -2.358 -15.093 1.00 0.00 H new ATOM 104 N LYS A 8 79.190 0.896 -12.930 1.00 0.00 N ATOM 105 CA LYS A 8 80.264 0.797 -13.912 1.00 0.00 C ATOM 106 C LYS A 8 81.625 0.923 -13.233 1.00 0.00 C ATOM 107 O LYS A 8 82.524 0.107 -13.452 1.00 0.00 O ATOM 108 CB LYS A 8 80.112 1.901 -14.964 1.00 0.00 C ATOM 109 CG LYS A 8 81.286 1.844 -15.958 1.00 0.00 C ATOM 110 CD LYS A 8 82.337 2.903 -15.593 1.00 0.00 C ATOM 111 CE LYS A 8 81.926 4.261 -16.170 1.00 0.00 C ATOM 112 NZ LYS A 8 82.301 4.324 -17.611 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.530 1.656 -13.094 1.00 0.00 H new ATOM 0 HA LYS A 8 80.201 -0.178 -14.395 1.00 0.00 H new ATOM 0 HB2 LYS A 8 79.168 1.781 -15.496 1.00 0.00 H new ATOM 0 HB3 LYS A 8 80.083 2.876 -14.478 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.737 0.852 -15.943 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.923 2.014 -16.972 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.436 2.973 -14.510 1.00 0.00 H new ATOM 0 HD3 LYS A 8 83.312 2.611 -15.984 1.00 0.00 H new ATOM 0 HE2 LYS A 8 80.852 4.406 -16.056 1.00 0.00 H new ATOM 0 HE3 LYS A 8 82.416 5.065 -15.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 81.643 4.954 -18.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 83.270 4.691 -17.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 82.252 3.371 -18.025 1.00 0.00 H new ATOM 126 N ILE A 9 81.771 1.953 -12.410 1.00 0.00 N ATOM 127 CA ILE A 9 83.024 2.185 -11.710 1.00 0.00 C ATOM 128 C ILE A 9 83.310 1.062 -10.723 1.00 0.00 C ATOM 129 O ILE A 9 84.457 0.824 -10.362 1.00 0.00 O ATOM 130 CB ILE A 9 82.962 3.513 -10.956 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.742 4.657 -11.951 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.275 3.735 -10.203 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.262 5.901 -11.202 1.00 0.00 C ATOM 0 H ILE A 9 81.041 2.637 -12.212 1.00 0.00 H new ATOM 0 HA ILE A 9 83.824 2.217 -12.449 1.00 0.00 H new ATOM 0 HB ILE A 9 82.136 3.488 -10.245 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.669 4.874 -12.482 1.00 0.00 H new ATOM 0 HG13 ILE A 9 82.007 4.365 -12.700 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.230 4.682 -9.665 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.430 2.922 -9.494 1.00 0.00 H new ATOM 0 HG23 ILE A 9 85.102 3.759 -10.913 1.00 0.00 H new ATOM 0 HD11 ILE A 9 82.106 6.715 -11.910 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.325 5.679 -10.691 1.00 0.00 H new ATOM 0 HD13 ILE A 9 83.013 6.197 -10.470 1.00 0.00 H new ATOM 145 N PHE A 10 82.262 0.384 -10.274 1.00 0.00 N ATOM 146 CA PHE A 10 82.429 -0.698 -9.308 1.00 0.00 C ATOM 147 C PHE A 10 82.912 -1.986 -9.975 1.00 0.00 C ATOM 148 O PHE A 10 83.892 -2.586 -9.536 1.00 0.00 O ATOM 149 CB PHE A 10 81.098 -0.960 -8.590 1.00 0.00 C ATOM 150 CG PHE A 10 81.082 -2.376 -8.063 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.604 -3.415 -8.870 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.557 -2.651 -6.776 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.601 -4.729 -8.392 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.553 -3.966 -6.296 1.00 0.00 C ATOM 155 CZ PHE A 10 81.077 -5.005 -7.105 1.00 0.00 C ATOM 0 H PHE A 10 81.298 0.559 -10.558 1.00 0.00 H new ATOM 0 HA PHE A 10 83.188 -0.388 -8.590 1.00 0.00 H new ATOM 0 HB2 PHE A 10 80.969 -0.254 -7.770 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.265 -0.806 -9.277 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.237 -3.201 -9.863 1.00 0.00 H new ATOM 0 HD2 PHE A 10 81.926 -1.849 -6.153 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.232 -5.530 -9.015 1.00 0.00 H new ATOM 0 HE2 PHE A 10 81.917 -4.179 -5.302 1.00 0.00 H new ATOM 0 HZ PHE A 10 81.077 -6.020 -6.736 1.00 0.00 H new ATOM 165 N VAL A 11 82.212 -2.416 -11.018 1.00 0.00 N ATOM 166 CA VAL A 11 82.574 -3.650 -11.711 1.00 0.00 C ATOM 167 C VAL A 11 84.019 -3.614 -12.178 1.00 0.00 C ATOM 168 O VAL A 11 84.672 -4.651 -12.292 1.00 0.00 O ATOM 169 CB VAL A 11 81.667 -3.874 -12.921 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.227 -4.060 -12.450 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.741 -2.664 -13.852 1.00 0.00 C ATOM 0 H VAL A 11 81.398 -1.935 -11.401 1.00 0.00 H new ATOM 0 HA VAL A 11 82.449 -4.469 -11.003 1.00 0.00 H new ATOM 0 HB VAL A 11 81.996 -4.764 -13.457 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.580 -4.220 -13.312 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.169 -4.924 -11.788 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.902 -3.169 -11.913 1.00 0.00 H new ATOM 0 HG21 VAL A 11 81.093 -2.827 -14.713 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.415 -1.772 -13.317 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.768 -2.528 -14.191 1.00 0.00 H new ATOM 181 N GLN A 12 84.507 -2.420 -12.480 1.00 0.00 N ATOM 182 CA GLN A 12 85.874 -2.280 -12.973 1.00 0.00 C ATOM 183 C GLN A 12 86.875 -1.947 -11.862 1.00 0.00 C ATOM 184 O GLN A 12 88.064 -2.235 -12.002 1.00 0.00 O ATOM 185 CB GLN A 12 85.923 -1.193 -14.045 1.00 0.00 C ATOM 186 CG GLN A 12 85.684 0.177 -13.412 1.00 0.00 C ATOM 187 CD GLN A 12 85.544 1.223 -14.510 1.00 0.00 C ATOM 188 OE1 GLN A 12 85.282 2.393 -14.228 1.00 0.00 O ATOM 189 NE2 GLN A 12 85.707 0.869 -15.754 1.00 0.00 N ATOM 0 H GLN A 12 83.989 -1.546 -12.395 1.00 0.00 H new ATOM 0 HA GLN A 12 86.164 -3.244 -13.391 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.891 -1.208 -14.545 1.00 0.00 H new ATOM 0 HB3 GLN A 12 85.168 -1.388 -14.807 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.783 0.155 -12.799 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.512 0.435 -12.752 1.00 0.00 H new ATOM 0 HE21 GLN A 12 85.924 -0.101 -15.984 1.00 0.00 H new ATOM 0 HE22 GLN A 12 85.618 1.562 -16.497 1.00 0.00 H new ATOM 198 N LYS A 13 86.419 -1.316 -10.779 1.00 0.00 N ATOM 199 CA LYS A 13 87.343 -0.936 -9.700 1.00 0.00 C ATOM 200 C LYS A 13 87.308 -1.876 -8.490 1.00 0.00 C ATOM 201 O LYS A 13 88.331 -2.453 -8.129 1.00 0.00 O ATOM 202 CB LYS A 13 87.049 0.493 -9.224 1.00 0.00 C ATOM 203 CG LYS A 13 87.373 1.499 -10.342 1.00 0.00 C ATOM 204 CD LYS A 13 87.934 2.790 -9.736 1.00 0.00 C ATOM 205 CE LYS A 13 88.414 3.709 -10.860 1.00 0.00 C ATOM 206 NZ LYS A 13 88.686 5.067 -10.309 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.444 -1.061 -10.623 1.00 0.00 H new ATOM 0 HA LYS A 13 88.341 -1.006 -10.133 1.00 0.00 H new ATOM 0 HB2 LYS A 13 86.001 0.581 -8.937 1.00 0.00 H new ATOM 0 HB3 LYS A 13 87.642 0.719 -8.338 1.00 0.00 H new ATOM 0 HG2 LYS A 13 88.097 1.067 -11.033 1.00 0.00 H new ATOM 0 HG3 LYS A 13 86.474 1.718 -10.918 1.00 0.00 H new ATOM 0 HD2 LYS A 13 87.168 3.290 -9.144 1.00 0.00 H new ATOM 0 HD3 LYS A 13 88.759 2.560 -9.061 1.00 0.00 H new ATOM 0 HE2 LYS A 13 89.317 3.302 -11.316 1.00 0.00 H new ATOM 0 HE3 LYS A 13 87.659 3.767 -11.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 89.518 5.474 -10.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 87.861 5.679 -10.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 88.869 4.997 -9.288 1.00 0.00 H new ATOM 220 N CYS A 14 86.160 -1.972 -7.822 1.00 0.00 N ATOM 221 CA CYS A 14 86.065 -2.786 -6.603 1.00 0.00 C ATOM 222 C CYS A 14 85.765 -4.265 -6.858 1.00 0.00 C ATOM 223 O CYS A 14 86.290 -5.126 -6.153 1.00 0.00 O ATOM 224 CB CYS A 14 85.001 -2.190 -5.678 1.00 0.00 C ATOM 225 SG CYS A 14 84.957 -0.385 -5.878 1.00 0.00 S ATOM 0 H CYS A 14 85.294 -1.507 -8.095 1.00 0.00 H new ATOM 0 HA CYS A 14 87.049 -2.759 -6.136 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.024 -2.615 -5.910 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.222 -2.445 -4.642 1.00 0.00 H new ATOM 0 HG CYS A 14 84.051 0.117 -5.093 1.00 0.00 H new ATOM 230 N ALA A 15 84.928 -4.571 -7.835 1.00 0.00 N ATOM 231 CA ALA A 15 84.597 -5.967 -8.105 1.00 0.00 C ATOM 232 C ALA A 15 85.864 -6.818 -8.171 1.00 0.00 C ATOM 233 O ALA A 15 85.832 -8.018 -7.902 1.00 0.00 O ATOM 234 CB ALA A 15 83.836 -6.084 -9.424 1.00 0.00 C ATOM 0 H ALA A 15 84.472 -3.892 -8.444 1.00 0.00 H new ATOM 0 HA ALA A 15 83.969 -6.330 -7.292 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.595 -7.130 -9.614 1.00 0.00 H new ATOM 0 HB2 ALA A 15 82.915 -5.504 -9.365 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.454 -5.701 -10.236 1.00 0.00 H new ATOM 240 N GLN A 16 86.973 -6.187 -8.536 1.00 0.00 N ATOM 241 CA GLN A 16 88.246 -6.891 -8.644 1.00 0.00 C ATOM 242 C GLN A 16 88.508 -7.769 -7.417 1.00 0.00 C ATOM 243 O GLN A 16 88.605 -8.990 -7.536 1.00 0.00 O ATOM 244 CB GLN A 16 89.385 -5.875 -8.816 1.00 0.00 C ATOM 245 CG GLN A 16 89.873 -5.873 -10.269 1.00 0.00 C ATOM 246 CD GLN A 16 91.092 -4.967 -10.411 1.00 0.00 C ATOM 247 OE1 GLN A 16 91.954 -5.215 -11.254 1.00 0.00 O ATOM 248 NE2 GLN A 16 91.217 -3.927 -9.633 1.00 0.00 N ATOM 0 H GLN A 16 87.018 -5.193 -8.762 1.00 0.00 H new ATOM 0 HA GLN A 16 88.200 -7.543 -9.516 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.040 -4.879 -8.539 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.209 -6.124 -8.148 1.00 0.00 H new ATOM 0 HG2 GLN A 16 90.126 -6.887 -10.577 1.00 0.00 H new ATOM 0 HG3 GLN A 16 89.076 -5.529 -10.928 1.00 0.00 H new ATOM 0 HE21 GLN A 16 90.502 -3.723 -8.935 1.00 0.00 H new ATOM 0 HE22 GLN A 16 92.030 -3.318 -9.723 1.00 0.00 H new ATOM 257 N CYS A 17 88.642 -7.145 -6.244 1.00 0.00 N ATOM 258 CA CYS A 17 88.916 -7.898 -5.016 1.00 0.00 C ATOM 259 C CYS A 17 87.820 -7.691 -3.965 1.00 0.00 C ATOM 260 O CYS A 17 88.119 -7.437 -2.799 1.00 0.00 O ATOM 261 CB CYS A 17 90.272 -7.469 -4.427 1.00 0.00 C ATOM 262 SG CYS A 17 91.289 -6.691 -5.710 1.00 0.00 S ATOM 0 H CYS A 17 88.567 -6.136 -6.118 1.00 0.00 H new ATOM 0 HA CYS A 17 88.940 -8.955 -5.279 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.116 -6.772 -3.603 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.790 -8.336 -4.017 1.00 0.00 H new ATOM 0 HG CYS A 17 92.430 -6.331 -5.201 1.00 0.00 H new ATOM 267 N HIS A 18 86.556 -7.813 -4.367 1.00 0.00 N ATOM 268 CA HIS A 18 85.453 -7.644 -3.419 1.00 0.00 C ATOM 269 C HIS A 18 84.201 -8.380 -3.893 1.00 0.00 C ATOM 270 O HIS A 18 84.216 -9.053 -4.924 1.00 0.00 O ATOM 271 CB HIS A 18 85.133 -6.158 -3.233 1.00 0.00 C ATOM 272 CG HIS A 18 86.168 -5.514 -2.346 1.00 0.00 C ATOM 273 ND1 HIS A 18 86.799 -6.194 -1.312 1.00 0.00 N ATOM 274 CD2 HIS A 18 86.689 -4.246 -2.330 1.00 0.00 C ATOM 275 CE1 HIS A 18 87.655 -5.333 -0.724 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.624 -4.134 -1.309 1.00 0.00 N ATOM 0 H HIS A 18 86.272 -8.024 -5.324 1.00 0.00 H new ATOM 0 HA HIS A 18 85.767 -8.069 -2.466 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.111 -5.658 -4.202 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.143 -6.043 -2.792 1.00 0.00 H new ATOM 0 HD2 HIS A 18 86.414 -3.453 -3.009 1.00 0.00 H new ATOM 0 HE1 HIS A 18 88.287 -5.583 0.116 1.00 0.00 H new ATOM 0 HE2 HIS A 18 88.171 -3.310 -1.059 1.00 0.00 H new ATOM 284 N THR A 19 83.120 -8.249 -3.124 1.00 0.00 N ATOM 285 CA THR A 19 81.858 -8.908 -3.458 1.00 0.00 C ATOM 286 C THR A 19 80.680 -7.954 -3.246 1.00 0.00 C ATOM 287 O THR A 19 79.728 -7.943 -4.027 1.00 0.00 O ATOM 288 CB THR A 19 81.688 -10.155 -2.577 1.00 0.00 C ATOM 289 OG1 THR A 19 82.780 -10.236 -1.672 1.00 0.00 O ATOM 290 CG2 THR A 19 81.661 -11.413 -3.447 1.00 0.00 C ATOM 0 H THR A 19 83.093 -7.694 -2.268 1.00 0.00 H new ATOM 0 HA THR A 19 81.877 -9.201 -4.508 1.00 0.00 H new ATOM 0 HB THR A 19 80.750 -10.081 -2.027 1.00 0.00 H new ATOM 0 HG1 THR A 19 83.080 -11.166 -1.604 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.540 -12.291 -2.813 1.00 0.00 H new ATOM 0 HG22 THR A 19 80.828 -11.353 -4.147 1.00 0.00 H new ATOM 0 HG23 THR A 19 82.596 -11.492 -4.002 1.00 0.00 H new ATOM 298 N VAL A 20 80.758 -7.157 -2.185 1.00 0.00 N ATOM 299 CA VAL A 20 79.706 -6.194 -1.863 1.00 0.00 C ATOM 300 C VAL A 20 78.317 -6.788 -2.075 1.00 0.00 C ATOM 301 O VAL A 20 77.372 -6.066 -2.393 1.00 0.00 O ATOM 302 CB VAL A 20 79.862 -4.931 -2.715 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.277 -4.375 -2.555 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.616 -5.258 -4.187 1.00 0.00 C ATOM 0 H VAL A 20 81.541 -7.158 -1.531 1.00 0.00 H new ATOM 0 HA VAL A 20 79.809 -5.937 -0.809 1.00 0.00 H new ATOM 0 HB VAL A 20 79.135 -4.190 -2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.386 -3.476 -3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.455 -4.129 -1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 20 82.001 -5.122 -2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.729 -4.353 -4.785 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.337 -6.005 -4.519 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.606 -5.649 -4.309 1.00 0.00 H new ATOM 314 N GLU A 21 78.191 -8.099 -1.894 1.00 0.00 N ATOM 315 CA GLU A 21 76.900 -8.761 -2.066 1.00 0.00 C ATOM 316 C GLU A 21 76.557 -9.594 -0.833 1.00 0.00 C ATOM 317 O GLU A 21 77.285 -10.517 -0.469 1.00 0.00 O ATOM 318 CB GLU A 21 76.925 -9.650 -3.316 1.00 0.00 C ATOM 319 CG GLU A 21 77.686 -10.945 -3.028 1.00 0.00 C ATOM 320 CD GLU A 21 78.133 -11.589 -4.337 1.00 0.00 C ATOM 321 OE1 GLU A 21 77.753 -11.087 -5.382 1.00 0.00 O1- ATOM 322 OE2 GLU A 21 78.848 -12.576 -4.275 1.00 0.00 O ATOM 0 H GLU A 21 78.957 -8.719 -1.631 1.00 0.00 H new ATOM 0 HA GLU A 21 76.132 -7.997 -2.191 1.00 0.00 H new ATOM 0 HB2 GLU A 21 75.906 -9.880 -3.628 1.00 0.00 H new ATOM 0 HB3 GLU A 21 77.398 -9.117 -4.141 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.553 -10.735 -2.401 1.00 0.00 H new ATOM 0 HG3 GLU A 21 77.050 -11.634 -2.472 1.00 0.00 H new ATOM 329 N LYS A 22 75.443 -9.251 -0.193 1.00 0.00 N ATOM 330 CA LYS A 22 75.006 -9.963 1.003 1.00 0.00 C ATOM 331 C LYS A 22 75.036 -11.472 0.774 1.00 0.00 C ATOM 332 O LYS A 22 74.803 -11.948 -0.337 1.00 0.00 O ATOM 333 CB LYS A 22 73.585 -9.526 1.379 1.00 0.00 C ATOM 334 CG LYS A 22 73.627 -8.166 2.089 1.00 0.00 C ATOM 335 CD LYS A 22 73.845 -8.369 3.592 1.00 0.00 C ATOM 336 CE LYS A 22 73.770 -7.017 4.306 1.00 0.00 C ATOM 337 NZ LYS A 22 72.347 -6.589 4.410 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.829 -8.489 -0.481 1.00 0.00 H new ATOM 0 HA LYS A 22 75.689 -9.721 1.817 1.00 0.00 H new ATOM 0 HB2 LYS A 22 72.967 -9.460 0.484 1.00 0.00 H new ATOM 0 HB3 LYS A 22 73.126 -10.271 2.029 1.00 0.00 H new ATOM 0 HG2 LYS A 22 74.429 -7.555 1.676 1.00 0.00 H new ATOM 0 HG3 LYS A 22 72.695 -7.627 1.917 1.00 0.00 H new ATOM 0 HD2 LYS A 22 73.090 -9.046 3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 22 74.815 -8.833 3.770 1.00 0.00 H new ATOM 0 HE2 LYS A 22 74.212 -7.093 5.300 1.00 0.00 H new ATOM 0 HE3 LYS A 22 74.346 -6.272 3.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 72.269 -5.806 5.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 72.010 -6.273 3.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 71.767 -7.389 4.735 1.00 0.00 H new ATOM 351 N GLY A 23 75.322 -12.218 1.837 1.00 0.00 N ATOM 352 CA GLY A 23 75.378 -13.673 1.751 1.00 0.00 C ATOM 353 C GLY A 23 76.268 -14.124 0.597 1.00 0.00 C ATOM 354 O GLY A 23 76.046 -15.182 0.008 1.00 0.00 O ATOM 0 H GLY A 23 75.518 -11.841 2.764 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.758 -14.081 2.688 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.372 -14.071 1.615 1.00 0.00 H new ATOM 358 N GLY A 24 77.277 -13.318 0.277 1.00 0.00 N ATOM 359 CA GLY A 24 78.192 -13.649 -0.808 1.00 0.00 C ATOM 360 C GLY A 24 79.394 -14.431 -0.293 1.00 0.00 C ATOM 361 O GLY A 24 79.271 -15.265 0.604 1.00 0.00 O ATOM 0 H GLY A 24 77.480 -12.438 0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.669 -14.236 -1.563 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.531 -12.734 -1.294 1.00 0.00 H new ATOM 365 N LYS A 25 80.558 -14.148 -0.869 1.00 0.00 N ATOM 366 CA LYS A 25 81.789 -14.821 -0.469 1.00 0.00 C ATOM 367 C LYS A 25 82.989 -13.907 -0.697 1.00 0.00 C ATOM 368 O LYS A 25 83.288 -13.526 -1.829 1.00 0.00 O ATOM 369 CB LYS A 25 81.968 -16.117 -1.269 1.00 0.00 C ATOM 370 CG LYS A 25 81.641 -15.871 -2.751 1.00 0.00 C ATOM 371 CD LYS A 25 80.226 -16.371 -3.063 1.00 0.00 C ATOM 372 CE LYS A 25 79.900 -16.102 -4.533 1.00 0.00 C ATOM 373 NZ LYS A 25 80.610 -17.094 -5.389 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.675 -13.459 -1.612 1.00 0.00 H new ATOM 0 HA LYS A 25 81.722 -15.063 0.592 1.00 0.00 H new ATOM 0 HB2 LYS A 25 82.992 -16.477 -1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 25 81.317 -16.894 -0.869 1.00 0.00 H new ATOM 0 HG2 LYS A 25 81.719 -14.808 -2.978 1.00 0.00 H new ATOM 0 HG3 LYS A 25 82.365 -16.385 -3.382 1.00 0.00 H new ATOM 0 HD2 LYS A 25 80.152 -17.438 -2.853 1.00 0.00 H new ATOM 0 HD3 LYS A 25 79.502 -15.869 -2.422 1.00 0.00 H new ATOM 0 HE2 LYS A 25 78.824 -16.169 -4.696 1.00 0.00 H new ATOM 0 HE3 LYS A 25 80.201 -15.090 -4.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 80.285 -16.999 -6.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 81.634 -16.921 -5.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 80.407 -18.055 -5.048 1.00 0.00 H new ATOM 387 N HIS A 26 83.672 -13.557 0.388 1.00 0.00 N ATOM 388 CA HIS A 26 84.839 -12.684 0.299 1.00 0.00 C ATOM 389 C HIS A 26 85.855 -13.242 -0.695 1.00 0.00 C ATOM 390 O HIS A 26 86.306 -14.380 -0.566 1.00 0.00 O ATOM 391 CB HIS A 26 85.490 -12.543 1.681 1.00 0.00 C ATOM 392 CG HIS A 26 85.306 -13.819 2.454 1.00 0.00 C ATOM 393 ND1 HIS A 26 85.555 -15.063 1.896 1.00 0.00 N ATOM 394 CD2 HIS A 26 84.899 -14.062 3.743 1.00 0.00 C ATOM 395 CE1 HIS A 26 85.296 -15.989 2.838 1.00 0.00 C ATOM 396 NE2 HIS A 26 84.892 -15.432 3.982 1.00 0.00 N ATOM 0 H HIS A 26 83.440 -13.862 1.334 1.00 0.00 H new ATOM 0 HA HIS A 26 84.513 -11.704 -0.050 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.552 -12.320 1.574 1.00 0.00 H new ATOM 0 HB3 HIS A 26 85.042 -11.710 2.222 1.00 0.00 H new ATOM 0 HD1 HIS A 26 85.876 -15.244 0.945 1.00 0.00 H new ATOM 0 HD2 HIS A 26 84.626 -13.304 4.462 1.00 0.00 H new ATOM 0 HE1 HIS A 26 85.402 -17.053 2.687 1.00 0.00 H new ATOM 405 N LYS A 27 86.212 -12.425 -1.683 1.00 0.00 N ATOM 406 CA LYS A 27 87.181 -12.830 -2.700 1.00 0.00 C ATOM 407 C LYS A 27 88.408 -11.926 -2.647 1.00 0.00 C ATOM 408 O LYS A 27 88.311 -10.721 -2.878 1.00 0.00 O ATOM 409 CB LYS A 27 86.544 -12.745 -4.091 1.00 0.00 C ATOM 410 CG LYS A 27 85.618 -13.943 -4.309 1.00 0.00 C ATOM 411 CD LYS A 27 84.920 -13.806 -5.665 1.00 0.00 C ATOM 412 CE LYS A 27 84.018 -15.019 -5.902 1.00 0.00 C ATOM 413 NZ LYS A 27 84.849 -16.255 -5.945 1.00 0.00 N1+ ATOM 0 H LYS A 27 85.846 -11.480 -1.802 1.00 0.00 H new ATOM 0 HA LYS A 27 87.485 -13.858 -2.503 1.00 0.00 H new ATOM 0 HB2 LYS A 27 85.982 -11.816 -4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 27 87.320 -12.729 -4.856 1.00 0.00 H new ATOM 0 HG2 LYS A 27 86.190 -14.870 -4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 27 84.878 -13.995 -3.510 1.00 0.00 H new ATOM 0 HD2 LYS A 27 84.329 -12.890 -5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 27 85.661 -13.730 -6.461 1.00 0.00 H new ATOM 0 HE2 LYS A 27 83.276 -15.094 -5.107 1.00 0.00 H new ATOM 0 HE3 LYS A 27 83.472 -14.902 -6.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 84.323 -17.011 -6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 85.731 -16.063 -6.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 85.074 -16.556 -4.975 1.00 0.00 H new ATOM 427 N THR A 28 89.560 -12.511 -2.337 1.00 0.00 N ATOM 428 CA THR A 28 90.796 -11.739 -2.254 1.00 0.00 C ATOM 429 C THR A 28 90.554 -10.438 -1.493 1.00 0.00 C ATOM 430 O THR A 28 91.238 -9.439 -1.711 1.00 0.00 O ATOM 431 CB THR A 28 91.311 -11.427 -3.663 1.00 0.00 C ATOM 432 OG1 THR A 28 91.166 -12.580 -4.481 1.00 0.00 O ATOM 433 CG2 THR A 28 92.789 -11.026 -3.603 1.00 0.00 C ATOM 0 H THR A 28 89.665 -13.506 -2.141 1.00 0.00 H new ATOM 0 HA THR A 28 91.543 -12.327 -1.721 1.00 0.00 H new ATOM 0 HB THR A 28 90.735 -10.602 -4.082 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.493 -12.384 -5.384 1.00 0.00 H new ATOM 0 HG21 THR A 28 93.147 -10.806 -4.609 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.901 -10.141 -2.976 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.371 -11.845 -3.181 1.00 0.00 H new ATOM 441 N GLY A 29 89.573 -10.462 -0.598 1.00 0.00 N ATOM 442 CA GLY A 29 89.242 -9.283 0.194 1.00 0.00 C ATOM 443 C GLY A 29 87.935 -9.493 0.954 1.00 0.00 C ATOM 444 O GLY A 29 87.106 -10.313 0.559 1.00 0.00 O ATOM 0 H GLY A 29 88.996 -11.280 -0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 29 90.048 -9.073 0.897 1.00 0.00 H new ATOM 0 HA3 GLY A 29 89.154 -8.414 -0.458 1.00 0.00 H new ATOM 448 N PRO A 30 87.738 -8.774 2.028 1.00 0.00 N ATOM 449 CA PRO A 30 86.501 -8.889 2.857 1.00 0.00 C ATOM 450 C PRO A 30 85.267 -8.360 2.128 1.00 0.00 C ATOM 451 O PRO A 30 85.371 -7.790 1.042 1.00 0.00 O ATOM 452 CB PRO A 30 86.813 -8.042 4.097 1.00 0.00 C ATOM 453 CG PRO A 30 87.855 -7.066 3.654 1.00 0.00 C ATOM 454 CD PRO A 30 88.670 -7.772 2.569 1.00 0.00 C ATOM 0 HA PRO A 30 86.263 -9.926 3.095 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.921 -7.529 4.458 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.177 -8.662 4.916 1.00 0.00 H new ATOM 0 HG2 PRO A 30 87.396 -6.157 3.266 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.491 -6.771 4.488 1.00 0.00 H new ATOM 0 HD2 PRO A 30 89.000 -7.075 1.799 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.565 -8.239 2.981 1.00 0.00 H new ATOM 462 N ASN A 31 84.103 -8.548 2.741 1.00 0.00 N ATOM 463 CA ASN A 31 82.850 -8.085 2.154 1.00 0.00 C ATOM 464 C ASN A 31 82.496 -6.707 2.705 1.00 0.00 C ATOM 465 O ASN A 31 83.066 -6.271 3.704 1.00 0.00 O ATOM 466 CB ASN A 31 81.727 -9.075 2.484 1.00 0.00 C ATOM 467 CG ASN A 31 81.283 -8.906 3.933 1.00 0.00 C ATOM 468 OD1 ASN A 31 80.145 -9.226 4.277 1.00 0.00 O ATOM 469 ND2 ASN A 31 82.119 -8.421 4.810 1.00 0.00 N ATOM 0 H ASN A 31 84.001 -9.016 3.641 1.00 0.00 H new ATOM 0 HA ASN A 31 82.967 -8.019 1.072 1.00 0.00 H new ATOM 0 HB2 ASN A 31 80.881 -8.912 1.816 1.00 0.00 H new ATOM 0 HB3 ASN A 31 82.072 -10.096 2.319 1.00 0.00 H new ATOM 0 HD21 ASN A 31 81.830 -8.307 5.781 1.00 0.00 H new ATOM 0 HD22 ASN A 31 83.062 -8.156 4.524 1.00 0.00 H new ATOM 476 N LEU A 32 81.554 -6.027 2.058 1.00 0.00 N ATOM 477 CA LEU A 32 81.134 -4.698 2.510 1.00 0.00 C ATOM 478 C LEU A 32 79.653 -4.703 2.881 1.00 0.00 C ATOM 479 O LEU A 32 78.943 -3.728 2.637 1.00 0.00 O ATOM 480 CB LEU A 32 81.367 -3.649 1.415 1.00 0.00 C ATOM 481 CG LEU A 32 82.766 -3.791 0.798 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.020 -2.598 -0.135 1.00 0.00 C ATOM 483 CD2 LEU A 32 83.837 -3.810 1.896 1.00 0.00 C ATOM 0 H LEU A 32 81.069 -6.367 1.227 1.00 0.00 H new ATOM 0 HA LEU A 32 81.731 -4.443 3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.611 -3.757 0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.252 -2.650 1.835 1.00 0.00 H new ATOM 0 HG LEU A 32 82.818 -4.727 0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.011 -2.688 -0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.268 -2.587 -0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 32 82.961 -1.671 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 32 84.822 -3.911 1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 32 83.793 -2.880 2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.658 -4.652 2.565 1.00 0.00 H new ATOM 495 N HIS A 33 79.193 -5.801 3.472 1.00 0.00 N ATOM 496 CA HIS A 33 77.792 -5.911 3.873 1.00 0.00 C ATOM 497 C HIS A 33 77.464 -4.874 4.942 1.00 0.00 C ATOM 498 O HIS A 33 78.267 -4.631 5.843 1.00 0.00 O ATOM 499 CB HIS A 33 77.511 -7.313 4.419 1.00 0.00 C ATOM 500 CG HIS A 33 77.823 -8.339 3.364 1.00 0.00 C ATOM 501 ND1 HIS A 33 77.843 -9.697 3.640 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.125 -8.223 2.030 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.148 -10.339 2.498 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.330 -9.488 1.485 1.00 0.00 N ATOM 0 H HIS A 33 79.762 -6.621 3.683 1.00 0.00 H new ATOM 0 HA HIS A 33 77.167 -5.732 2.998 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.115 -7.496 5.308 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.467 -7.394 4.721 1.00 0.00 H new ATOM 0 HD2 HIS A 33 78.193 -7.293 1.486 1.00 0.00 H new ATOM 0 HE1 HIS A 33 78.235 -11.412 2.411 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.568 -9.716 0.520 1.00 0.00 H new ATOM 513 N GLY A 34 76.284 -4.261 4.839 1.00 0.00 N ATOM 514 CA GLY A 34 75.875 -3.246 5.811 1.00 0.00 C ATOM 515 C GLY A 34 77.076 -2.415 6.250 1.00 0.00 C ATOM 516 O GLY A 34 77.126 -1.912 7.372 1.00 0.00 O ATOM 0 H GLY A 34 75.603 -4.446 4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.117 -2.597 5.372 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.420 -3.726 6.678 1.00 0.00 H new ATOM 520 N LEU A 35 78.042 -2.293 5.349 1.00 0.00 N ATOM 521 CA LEU A 35 79.258 -1.541 5.622 1.00 0.00 C ATOM 522 C LEU A 35 78.940 -0.225 6.330 1.00 0.00 C ATOM 523 O LEU A 35 79.435 0.047 7.423 1.00 0.00 O ATOM 524 CB LEU A 35 79.969 -1.263 4.289 1.00 0.00 C ATOM 525 CG LEU A 35 81.177 -0.329 4.491 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.446 -1.158 4.713 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.363 0.544 3.244 1.00 0.00 C ATOM 0 H LEU A 35 78.006 -2.708 4.418 1.00 0.00 H new ATOM 0 HA LEU A 35 79.903 -2.125 6.279 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.301 -2.202 3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.269 -0.811 3.587 1.00 0.00 H new ATOM 0 HG LEU A 35 80.997 0.301 5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.296 -0.491 4.855 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.323 -1.782 5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.623 -1.792 3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.218 1.205 3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.538 -0.093 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.466 1.141 3.081 1.00 0.00 H new ATOM 539 N PHE A 36 78.120 0.591 5.694 1.00 0.00 N ATOM 540 CA PHE A 36 77.752 1.884 6.258 1.00 0.00 C ATOM 541 C PHE A 36 77.185 1.736 7.668 1.00 0.00 C ATOM 542 O PHE A 36 75.975 1.585 7.844 1.00 0.00 O ATOM 543 CB PHE A 36 76.719 2.571 5.358 1.00 0.00 C ATOM 544 CG PHE A 36 77.143 2.443 3.910 1.00 0.00 C ATOM 545 CD1 PHE A 36 76.902 1.253 3.212 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.783 3.512 3.267 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.303 1.129 1.878 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.182 3.386 1.934 1.00 0.00 C ATOM 549 CZ PHE A 36 77.944 2.196 1.238 1.00 0.00 C ATOM 0 H PHE A 36 77.695 0.386 4.790 1.00 0.00 H new ATOM 0 HA PHE A 36 78.654 2.493 6.316 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.738 2.118 5.502 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.627 3.623 5.629 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.406 0.430 3.705 1.00 0.00 H new ATOM 0 HD2 PHE A 36 77.967 4.432 3.802 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.118 0.210 1.342 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.676 4.210 1.439 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.255 2.101 0.208 1.00 0.00 H new ATOM 559 N GLY A 37 78.060 1.801 8.677 1.00 0.00 N ATOM 560 CA GLY A 37 77.610 1.693 10.066 1.00 0.00 C ATOM 561 C GLY A 37 78.573 0.889 10.943 1.00 0.00 C ATOM 562 O GLY A 37 78.578 1.047 12.163 1.00 0.00 O ATOM 0 H GLY A 37 79.066 1.926 8.561 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.495 2.693 10.484 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.627 1.223 10.089 1.00 0.00 H new ATOM 566 N ARG A 38 79.369 0.013 10.335 1.00 0.00 N ATOM 567 CA ARG A 38 80.302 -0.814 11.111 1.00 0.00 C ATOM 568 C ARG A 38 81.659 -0.126 11.289 1.00 0.00 C ATOM 569 O ARG A 38 82.028 0.764 10.525 1.00 0.00 O ATOM 570 CB ARG A 38 80.497 -2.172 10.423 1.00 0.00 C ATOM 571 CG ARG A 38 79.591 -3.234 11.066 1.00 0.00 C ATOM 572 CD ARG A 38 80.015 -4.630 10.594 1.00 0.00 C ATOM 573 NE ARG A 38 79.362 -4.959 9.330 1.00 0.00 N ATOM 574 CZ ARG A 38 79.892 -5.836 8.480 1.00 0.00 C ATOM 575 NH1 ARG A 38 81.026 -6.422 8.758 1.00 0.00 N ATOM 576 NH2 ARG A 38 79.276 -6.116 7.365 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.391 -0.145 9.327 1.00 0.00 H new ATOM 0 HA ARG A 38 79.868 -0.961 12.100 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.268 -2.085 9.361 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.540 -2.480 10.500 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.656 -3.172 12.152 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.551 -3.049 10.798 1.00 0.00 H new ATOM 0 HD2 ARG A 38 81.098 -4.667 10.472 1.00 0.00 H new ATOM 0 HD3 ARG A 38 79.754 -5.371 11.349 1.00 0.00 H new ATOM 0 HE ARG A 38 78.479 -4.506 9.093 1.00 0.00 H new ATOM 0 HH11 ARG A 38 81.510 -6.208 9.630 1.00 0.00 H new ATOM 0 HH12 ARG A 38 81.427 -7.093 8.103 1.00 0.00 H new ATOM 0 HH21 ARG A 38 78.389 -5.663 7.145 1.00 0.00 H new ATOM 0 HH22 ARG A 38 79.681 -6.788 6.713 1.00 0.00 H new ATOM 590 N LYS A 39 82.391 -0.559 12.318 1.00 0.00 N ATOM 591 CA LYS A 39 83.708 0.001 12.629 1.00 0.00 C ATOM 592 C LYS A 39 84.804 -0.645 11.777 1.00 0.00 C ATOM 593 O LYS A 39 84.686 -1.798 11.361 1.00 0.00 O ATOM 594 CB LYS A 39 84.004 -0.215 14.118 1.00 0.00 C ATOM 595 CG LYS A 39 85.257 0.568 14.543 1.00 0.00 C ATOM 596 CD LYS A 39 84.895 2.025 14.872 1.00 0.00 C ATOM 597 CE LYS A 39 83.976 2.078 16.100 1.00 0.00 C ATOM 598 NZ LYS A 39 82.563 2.232 15.656 1.00 0.00 N1+ ATOM 0 H LYS A 39 82.092 -1.299 12.953 1.00 0.00 H new ATOM 0 HA LYS A 39 83.697 1.067 12.401 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.149 0.106 14.714 1.00 0.00 H new ATOM 0 HB3 LYS A 39 84.149 -1.277 14.315 1.00 0.00 H new ATOM 0 HG2 LYS A 39 85.711 0.094 15.413 1.00 0.00 H new ATOM 0 HG3 LYS A 39 85.998 0.543 13.744 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.802 2.599 15.062 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.400 2.486 14.018 1.00 0.00 H new ATOM 0 HE2 LYS A 39 84.086 1.168 16.689 1.00 0.00 H new ATOM 0 HE3 LYS A 39 84.259 2.911 16.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 82.099 2.969 16.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 82.542 2.504 14.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 82.060 1.331 15.781 1.00 0.00 H new ATOM 612 N THR A 40 85.869 0.117 11.519 1.00 0.00 N ATOM 613 CA THR A 40 86.990 -0.366 10.714 1.00 0.00 C ATOM 614 C THR A 40 87.470 -1.740 11.170 1.00 0.00 C ATOM 615 O THR A 40 87.511 -2.035 12.364 1.00 0.00 O ATOM 616 CB THR A 40 88.150 0.630 10.792 1.00 0.00 C ATOM 617 OG1 THR A 40 88.384 0.981 12.148 1.00 0.00 O ATOM 618 CG2 THR A 40 87.802 1.887 9.993 1.00 0.00 C ATOM 0 H THR A 40 85.978 1.073 11.857 1.00 0.00 H new ATOM 0 HA THR A 40 86.641 -0.457 9.686 1.00 0.00 H new ATOM 0 HB THR A 40 89.047 0.173 10.375 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.051 0.375 12.532 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.629 2.595 10.050 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.625 1.619 8.951 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.904 2.345 10.408 1.00 0.00 H new ATOM 626 N GLY A 41 87.847 -2.570 10.198 1.00 0.00 N ATOM 627 CA GLY A 41 88.343 -3.911 10.488 1.00 0.00 C ATOM 628 C GLY A 41 87.432 -4.646 11.461 1.00 0.00 C ATOM 629 O GLY A 41 87.889 -5.169 12.477 1.00 0.00 O ATOM 0 H GLY A 41 87.818 -2.336 9.206 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.421 -4.479 9.561 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.347 -3.846 10.907 1.00 0.00 H new ATOM 633 N GLN A 42 86.141 -4.674 11.151 1.00 0.00 N ATOM 634 CA GLN A 42 85.170 -5.342 12.020 1.00 0.00 C ATOM 635 C GLN A 42 84.542 -6.551 11.330 1.00 0.00 C ATOM 636 O GLN A 42 83.980 -7.425 11.991 1.00 0.00 O ATOM 637 CB GLN A 42 84.068 -4.360 12.425 1.00 0.00 C ATOM 638 CG GLN A 42 83.060 -5.070 13.336 1.00 0.00 C ATOM 639 CD GLN A 42 82.306 -4.049 14.181 1.00 0.00 C ATOM 640 OE1 GLN A 42 82.349 -4.106 15.411 1.00 0.00 O ATOM 641 NE2 GLN A 42 81.614 -3.111 13.594 1.00 0.00 N ATOM 0 H GLN A 42 85.742 -4.248 10.315 1.00 0.00 H new ATOM 0 HA GLN A 42 85.701 -5.689 12.906 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.501 -3.504 12.942 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.565 -3.976 11.538 1.00 0.00 H new ATOM 0 HG2 GLN A 42 82.357 -5.645 12.734 1.00 0.00 H new ATOM 0 HG3 GLN A 42 83.579 -5.777 13.983 1.00 0.00 H new ATOM 0 HE21 GLN A 42 81.579 -3.065 12.576 1.00 0.00 H new ATOM 0 HE22 GLN A 42 81.108 -2.424 14.154 1.00 0.00 H new ATOM 701 N THR A 47 91.825 -11.170 6.959 1.00 0.00 N ATOM 702 CA THR A 47 92.771 -10.777 7.998 1.00 0.00 C ATOM 703 C THR A 47 93.004 -9.269 7.970 1.00 0.00 C ATOM 704 O THR A 47 93.970 -8.791 7.376 1.00 0.00 O ATOM 705 CB THR A 47 94.103 -11.504 7.794 1.00 0.00 C ATOM 706 OG1 THR A 47 93.852 -12.866 7.476 1.00 0.00 O ATOM 707 CG2 THR A 47 94.937 -11.421 9.073 1.00 0.00 C ATOM 0 HA THR A 47 92.351 -11.050 8.966 1.00 0.00 H new ATOM 0 HB THR A 47 94.652 -11.034 6.978 1.00 0.00 H new ATOM 0 HG1 THR A 47 92.986 -12.942 7.023 1.00 0.00 H new ATOM 0 HG21 THR A 47 95.884 -11.939 8.924 1.00 0.00 H new ATOM 0 HG22 THR A 47 95.130 -10.376 9.315 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.393 -11.889 9.893 1.00 0.00 H new ATOM 715 N TYR A 48 92.111 -8.528 8.615 1.00 0.00 N ATOM 716 CA TYR A 48 92.225 -7.074 8.662 1.00 0.00 C ATOM 717 C TYR A 48 93.565 -6.662 9.260 1.00 0.00 C ATOM 718 O TYR A 48 94.143 -7.383 10.072 1.00 0.00 O ATOM 719 CB TYR A 48 91.086 -6.491 9.504 1.00 0.00 C ATOM 720 CG TYR A 48 89.887 -6.227 8.630 1.00 0.00 C ATOM 721 CD1 TYR A 48 89.958 -5.252 7.630 1.00 0.00 C ATOM 722 CD2 TYR A 48 88.699 -6.940 8.829 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.846 -4.992 6.825 1.00 0.00 C ATOM 724 CE2 TYR A 48 87.584 -6.677 8.026 1.00 0.00 C ATOM 725 CZ TYR A 48 87.658 -5.704 7.023 1.00 0.00 C ATOM 726 OH TYR A 48 86.557 -5.441 6.235 1.00 0.00 O ATOM 0 H TYR A 48 91.304 -8.907 9.110 1.00 0.00 H new ATOM 0 HA TYR A 48 92.161 -6.688 7.645 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.820 -7.184 10.302 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.411 -5.566 9.980 1.00 0.00 H new ATOM 0 HD1 TYR A 48 90.874 -4.699 7.480 1.00 0.00 H new ATOM 0 HD2 TYR A 48 88.643 -7.692 9.602 1.00 0.00 H new ATOM 0 HE1 TYR A 48 88.903 -4.242 6.050 1.00 0.00 H new ATOM 0 HE2 TYR A 48 86.666 -7.225 8.180 1.00 0.00 H new ATOM 0 HH TYR A 48 85.816 -6.024 6.503 1.00 0.00 H new ATOM 736 N THR A 49 94.048 -5.491 8.857 1.00 0.00 N ATOM 737 CA THR A 49 95.318 -4.984 9.365 1.00 0.00 C ATOM 738 C THR A 49 95.108 -4.270 10.695 1.00 0.00 C ATOM 739 O THR A 49 94.034 -3.728 10.954 1.00 0.00 O ATOM 740 CB THR A 49 95.938 -4.016 8.357 1.00 0.00 C ATOM 741 OG1 THR A 49 95.094 -2.883 8.212 1.00 0.00 O ATOM 742 CG2 THR A 49 96.096 -4.714 7.005 1.00 0.00 C ATOM 0 H THR A 49 93.584 -4.879 8.186 1.00 0.00 H new ATOM 0 HA THR A 49 95.992 -5.827 9.516 1.00 0.00 H new ATOM 0 HB THR A 49 96.917 -3.697 8.714 1.00 0.00 H new ATOM 0 HG1 THR A 49 95.642 -2.074 8.136 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.538 -4.022 6.288 1.00 0.00 H new ATOM 0 HG22 THR A 49 96.744 -5.583 7.118 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.119 -5.035 6.645 1.00 0.00 H new ATOM 750 N ASP A 50 96.137 -4.271 11.535 1.00 0.00 N ATOM 751 CA ASP A 50 96.046 -3.618 12.836 1.00 0.00 C ATOM 752 C ASP A 50 95.434 -2.229 12.696 1.00 0.00 C ATOM 753 O ASP A 50 94.584 -1.834 13.494 1.00 0.00 O ATOM 754 CB ASP A 50 97.436 -3.511 13.466 1.00 0.00 C ATOM 755 CG ASP A 50 97.362 -2.707 14.760 1.00 0.00 C ATOM 756 OD1 ASP A 50 97.298 -1.492 14.677 1.00 0.00 O1- ATOM 757 OD2 ASP A 50 97.371 -3.320 15.815 1.00 0.00 O ATOM 0 H ASP A 50 97.036 -4.712 11.341 1.00 0.00 H new ATOM 0 HA ASP A 50 95.404 -4.219 13.480 1.00 0.00 H new ATOM 0 HB2 ASP A 50 97.830 -4.507 13.669 1.00 0.00 H new ATOM 0 HB3 ASP A 50 98.124 -3.032 12.769 1.00 0.00 H new ATOM 762 N ALA A 51 95.865 -1.493 11.677 1.00 0.00 N ATOM 763 CA ALA A 51 95.339 -0.152 11.450 1.00 0.00 C ATOM 764 C ALA A 51 93.817 -0.184 11.436 1.00 0.00 C ATOM 765 O ALA A 51 93.165 0.515 12.208 1.00 0.00 O ATOM 766 CB ALA A 51 95.852 0.397 10.120 1.00 0.00 C ATOM 0 H ALA A 51 96.568 -1.797 11.003 1.00 0.00 H new ATOM 0 HA ALA A 51 95.677 0.497 12.258 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.453 1.399 9.962 1.00 0.00 H new ATOM 0 HB2 ALA A 51 96.941 0.440 10.140 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.529 -0.255 9.308 1.00 0.00 H new ATOM 772 N ASN A 52 93.255 -1.011 10.561 1.00 0.00 N ATOM 773 CA ASN A 52 91.807 -1.137 10.466 1.00 0.00 C ATOM 774 C ASN A 52 91.259 -1.754 11.749 1.00 0.00 C ATOM 775 O ASN A 52 90.098 -1.551 12.108 1.00 0.00 O ATOM 776 CB ASN A 52 91.439 -2.019 9.266 1.00 0.00 C ATOM 777 CG ASN A 52 91.192 -1.160 8.030 1.00 0.00 C ATOM 778 OD1 ASN A 52 91.630 -0.011 7.973 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.511 -1.654 7.034 1.00 0.00 N ATOM 0 H ASN A 52 93.777 -1.600 9.912 1.00 0.00 H new ATOM 0 HA ASN A 52 91.370 -0.148 10.329 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.242 -2.729 9.069 1.00 0.00 H new ATOM 0 HB3 ASN A 52 90.547 -2.602 9.495 1.00 0.00 H new ATOM 0 HD21 ASN A 52 90.339 -1.088 6.203 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.150 -2.607 7.086 1.00 0.00 H new ATOM 786 N LYS A 53 92.113 -2.504 12.436 1.00 0.00 N ATOM 787 CA LYS A 53 91.735 -3.152 13.677 1.00 0.00 C ATOM 788 C LYS A 53 91.833 -2.165 14.827 1.00 0.00 C ATOM 789 O LYS A 53 91.302 -2.398 15.912 1.00 0.00 O ATOM 790 CB LYS A 53 92.677 -4.333 13.931 1.00 0.00 C ATOM 791 CG LYS A 53 91.882 -5.514 14.468 1.00 0.00 C ATOM 792 CD LYS A 53 92.817 -6.712 14.661 1.00 0.00 C ATOM 793 CE LYS A 53 92.008 -7.948 15.079 1.00 0.00 C ATOM 794 NZ LYS A 53 92.454 -9.122 14.276 1.00 0.00 N1+ ATOM 0 H LYS A 53 93.076 -2.676 12.149 1.00 0.00 H new ATOM 0 HA LYS A 53 90.707 -3.508 13.603 1.00 0.00 H new ATOM 0 HB2 LYS A 53 93.183 -4.613 13.007 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.450 -4.048 14.644 1.00 0.00 H new ATOM 0 HG2 LYS A 53 91.412 -5.249 15.415 1.00 0.00 H new ATOM 0 HG3 LYS A 53 91.081 -5.772 13.776 1.00 0.00 H new ATOM 0 HD2 LYS A 53 93.356 -6.916 13.736 1.00 0.00 H new ATOM 0 HD3 LYS A 53 93.564 -6.482 15.421 1.00 0.00 H new ATOM 0 HE2 LYS A 53 92.147 -8.146 16.142 1.00 0.00 H new ATOM 0 HE3 LYS A 53 90.944 -7.770 14.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 91.908 -9.962 14.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 92.300 -8.930 13.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 93.466 -9.294 14.445 1.00 0.00 H new ATOM 808 N ASN A 54 92.528 -1.066 14.577 1.00 0.00 N ATOM 809 CA ASN A 54 92.709 -0.046 15.594 1.00 0.00 C ATOM 810 C ASN A 54 91.377 0.598 15.952 1.00 0.00 C ATOM 811 O ASN A 54 91.237 1.224 17.004 1.00 0.00 O ATOM 812 CB ASN A 54 93.677 1.017 15.075 1.00 0.00 C ATOM 813 CG ASN A 54 92.921 2.157 14.392 1.00 0.00 C ATOM 814 OD1 ASN A 54 93.273 3.324 14.563 1.00 0.00 O ATOM 815 ND2 ASN A 54 91.899 1.888 13.628 1.00 0.00 N ATOM 0 H ASN A 54 92.973 -0.860 13.683 1.00 0.00 H new ATOM 0 HA ASN A 54 93.118 -0.510 16.492 1.00 0.00 H new ATOM 0 HB2 ASN A 54 94.268 1.411 15.902 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.376 0.565 14.371 1.00 0.00 H new ATOM 0 HD21 ASN A 54 91.390 2.645 13.171 1.00 0.00 H new ATOM 0 HD22 ASN A 54 91.608 0.921 13.487 1.00 0.00 H new ATOM 822 N LYS A 55 90.409 0.439 15.065 1.00 0.00 N ATOM 823 CA LYS A 55 89.080 1.006 15.284 1.00 0.00 C ATOM 824 C LYS A 55 89.169 2.521 15.434 1.00 0.00 C ATOM 825 O LYS A 55 88.882 3.066 16.500 1.00 0.00 O ATOM 826 CB LYS A 55 88.451 0.403 16.544 1.00 0.00 C ATOM 827 CG LYS A 55 88.339 -1.118 16.389 1.00 0.00 C ATOM 828 CD LYS A 55 88.354 -1.779 17.770 1.00 0.00 C ATOM 829 CE LYS A 55 87.197 -1.232 18.611 1.00 0.00 C ATOM 830 NZ LYS A 55 87.088 -2.017 19.873 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.513 -0.074 14.190 1.00 0.00 H new ATOM 0 HA LYS A 55 88.457 0.769 14.422 1.00 0.00 H new ATOM 0 HB2 LYS A 55 89.058 0.646 17.417 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.464 0.835 16.712 1.00 0.00 H new ATOM 0 HG2 LYS A 55 87.419 -1.373 15.863 1.00 0.00 H new ATOM 0 HG3 LYS A 55 89.166 -1.494 15.786 1.00 0.00 H new ATOM 0 HD2 LYS A 55 88.264 -2.860 17.668 1.00 0.00 H new ATOM 0 HD3 LYS A 55 89.304 -1.584 18.268 1.00 0.00 H new ATOM 0 HE2 LYS A 55 87.364 -0.179 18.838 1.00 0.00 H new ATOM 0 HE3 LYS A 55 86.264 -1.293 18.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 86.303 -1.647 20.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 86.910 -3.016 19.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 87.975 -1.937 20.410 1.00 0.00 H new ATOM 844 N GLY A 56 89.583 3.194 14.365 1.00 0.00 N ATOM 845 CA GLY A 56 89.726 4.646 14.396 1.00 0.00 C ATOM 846 C GLY A 56 88.416 5.356 14.066 1.00 0.00 C ATOM 847 O GLY A 56 88.076 6.360 14.693 1.00 0.00 O ATOM 0 H GLY A 56 89.824 2.762 13.473 1.00 0.00 H new ATOM 0 HA2 GLY A 56 90.068 4.956 15.384 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.493 4.950 13.684 1.00 0.00 H new ATOM 851 N ILE A 57 87.688 4.845 13.078 1.00 0.00 N ATOM 852 CA ILE A 57 86.424 5.464 12.682 1.00 0.00 C ATOM 853 C ILE A 57 85.422 4.417 12.210 1.00 0.00 C ATOM 854 O ILE A 57 85.706 3.220 12.217 1.00 0.00 O ATOM 855 CB ILE A 57 86.670 6.480 11.563 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.233 5.763 10.321 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.680 7.524 12.047 1.00 0.00 C ATOM 858 CD1 ILE A 57 86.092 5.227 9.444 1.00 0.00 C ATOM 0 H ILE A 57 87.945 4.016 12.542 1.00 0.00 H new ATOM 0 HA ILE A 57 86.008 5.970 13.553 1.00 0.00 H new ATOM 0 HB ILE A 57 85.730 6.966 11.301 1.00 0.00 H new ATOM 0 HG12 ILE A 57 87.849 6.453 9.744 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.879 4.941 10.630 1.00 0.00 H new ATOM 0 HG21 ILE A 57 87.860 8.251 11.255 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.283 8.034 12.925 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.617 7.031 12.307 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.509 4.724 8.572 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.493 4.521 10.018 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.463 6.056 9.119 1.00 0.00 H new ATOM 870 N THR A 58 84.242 4.884 11.799 1.00 0.00 N ATOM 871 CA THR A 58 83.190 3.990 11.323 1.00 0.00 C ATOM 872 C THR A 58 82.863 4.276 9.859 1.00 0.00 C ATOM 873 O THR A 58 82.823 5.431 9.436 1.00 0.00 O ATOM 874 CB THR A 58 81.932 4.170 12.185 1.00 0.00 C ATOM 875 OG1 THR A 58 82.123 3.517 13.431 1.00 0.00 O ATOM 876 CG2 THR A 58 80.712 3.570 11.478 1.00 0.00 C ATOM 0 H THR A 58 83.993 5.873 11.787 1.00 0.00 H new ATOM 0 HA THR A 58 83.541 2.961 11.403 1.00 0.00 H new ATOM 0 HB THR A 58 81.759 5.234 12.344 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.368 2.917 13.605 1.00 0.00 H new ATOM 0 HG21 THR A 58 79.828 3.705 12.101 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.562 4.072 10.522 1.00 0.00 H new ATOM 0 HG23 THR A 58 80.877 2.506 11.308 1.00 0.00 H new ATOM 884 N TRP A 59 82.627 3.214 9.094 1.00 0.00 N ATOM 885 CA TRP A 59 82.301 3.363 7.680 1.00 0.00 C ATOM 886 C TRP A 59 80.978 4.104 7.515 1.00 0.00 C ATOM 887 O TRP A 59 80.014 3.846 8.236 1.00 0.00 O ATOM 888 CB TRP A 59 82.205 1.993 7.004 1.00 0.00 C ATOM 889 CG TRP A 59 83.324 1.115 7.472 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.603 1.514 7.639 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.289 -0.302 7.830 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.354 0.437 8.075 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.587 -0.703 8.215 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.267 -1.265 7.860 1.00 0.00 C ATOM 895 CZ2 TRP A 59 84.859 -2.015 8.618 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.538 -2.583 8.260 1.00 0.00 C ATOM 897 CH2 TRP A 59 83.831 -2.956 8.640 1.00 0.00 C ATOM 0 H TRP A 59 82.655 2.250 9.426 1.00 0.00 H new ATOM 0 HA TRP A 59 83.097 3.939 7.208 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.246 1.530 7.236 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.250 2.108 5.921 1.00 0.00 H new ATOM 0 HD1 TRP A 59 84.978 2.511 7.461 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.354 0.480 8.270 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.263 -0.989 7.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 85.860 -2.297 8.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.743 -3.314 8.274 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.033 -3.971 8.950 1.00 0.00 H new ATOM 908 N LYS A 60 80.945 5.023 6.560 1.00 0.00 N ATOM 909 CA LYS A 60 79.743 5.805 6.291 1.00 0.00 C ATOM 910 C LYS A 60 79.746 6.257 4.835 1.00 0.00 C ATOM 911 O LYS A 60 80.495 5.721 4.021 1.00 0.00 O ATOM 912 CB LYS A 60 79.692 7.024 7.217 1.00 0.00 C ATOM 913 CG LYS A 60 79.536 6.558 8.669 1.00 0.00 C ATOM 914 CD LYS A 60 79.110 7.737 9.551 1.00 0.00 C ATOM 915 CE LYS A 60 80.307 8.659 9.794 1.00 0.00 C ATOM 916 NZ LYS A 60 79.934 9.704 10.789 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.737 5.247 5.957 1.00 0.00 H new ATOM 0 HA LYS A 60 78.864 5.188 6.475 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.602 7.614 7.109 1.00 0.00 H new ATOM 0 HB3 LYS A 60 78.859 7.670 6.940 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.794 5.762 8.727 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.477 6.143 9.030 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.304 8.291 9.070 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.722 7.371 10.502 1.00 0.00 H new ATOM 0 HE2 LYS A 60 81.157 8.081 10.158 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.616 9.126 8.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.747 10.331 10.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 79.135 10.261 10.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.659 9.250 11.683 1.00 0.00 H new ATOM 930 N GLU A 61 78.913 7.237 4.506 1.00 0.00 N ATOM 931 CA GLU A 61 78.852 7.731 3.137 1.00 0.00 C ATOM 932 C GLU A 61 80.049 8.628 2.835 1.00 0.00 C ATOM 933 O GLU A 61 80.827 8.358 1.918 1.00 0.00 O ATOM 934 CB GLU A 61 77.555 8.515 2.922 1.00 0.00 C ATOM 935 CG GLU A 61 77.502 9.030 1.482 1.00 0.00 C ATOM 936 CD GLU A 61 76.113 9.581 1.177 1.00 0.00 C ATOM 937 OE1 GLU A 61 75.147 8.941 1.558 1.00 0.00 O1- ATOM 938 OE2 GLU A 61 76.037 10.634 0.566 1.00 0.00 O ATOM 0 H GLU A 61 78.279 7.699 5.158 1.00 0.00 H new ATOM 0 HA GLU A 61 78.876 6.876 2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.694 7.877 3.123 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.503 9.350 3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.251 9.809 1.338 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.743 8.224 0.789 1.00 0.00 H new ATOM 945 N GLU A 62 80.196 9.694 3.615 1.00 0.00 N ATOM 946 CA GLU A 62 81.303 10.624 3.420 1.00 0.00 C ATOM 947 C GLU A 62 82.633 9.967 3.773 1.00 0.00 C ATOM 948 O GLU A 62 83.622 10.123 3.058 1.00 0.00 O ATOM 949 CB GLU A 62 81.098 11.867 4.289 1.00 0.00 C ATOM 950 CG GLU A 62 79.886 12.649 3.784 1.00 0.00 C ATOM 951 CD GLU A 62 80.233 13.368 2.485 1.00 0.00 C ATOM 952 OE1 GLU A 62 81.392 13.336 2.105 1.00 0.00 O ATOM 953 OE2 GLU A 62 79.335 13.941 1.889 1.00 0.00 O1- ATOM 0 H GLU A 62 79.568 9.934 4.382 1.00 0.00 H new ATOM 0 HA GLU A 62 81.326 10.913 2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 62 80.949 11.576 5.329 1.00 0.00 H new ATOM 0 HB3 GLU A 62 81.988 12.496 4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 62 79.048 11.971 3.621 1.00 0.00 H new ATOM 0 HG3 GLU A 62 79.570 13.372 4.536 1.00 0.00 H new ATOM 960 N THR A 63 82.654 9.228 4.875 1.00 0.00 N ATOM 961 CA THR A 63 83.873 8.553 5.298 1.00 0.00 C ATOM 962 C THR A 63 84.418 7.707 4.161 1.00 0.00 C ATOM 963 O THR A 63 85.630 7.609 3.966 1.00 0.00 O ATOM 964 CB THR A 63 83.588 7.657 6.502 1.00 0.00 C ATOM 965 OG1 THR A 63 82.610 6.693 6.148 1.00 0.00 O ATOM 966 CG2 THR A 63 83.072 8.508 7.658 1.00 0.00 C ATOM 0 H THR A 63 81.850 9.082 5.486 1.00 0.00 H new ATOM 0 HA THR A 63 84.610 9.307 5.576 1.00 0.00 H new ATOM 0 HB THR A 63 84.504 7.151 6.807 1.00 0.00 H new ATOM 0 HG1 THR A 63 83.037 5.956 5.663 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.868 7.869 8.517 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.824 9.250 7.927 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.155 9.014 7.356 1.00 0.00 H new ATOM 974 N LEU A 64 83.510 7.100 3.408 1.00 0.00 N ATOM 975 CA LEU A 64 83.902 6.265 2.285 1.00 0.00 C ATOM 976 C LEU A 64 84.481 7.128 1.165 1.00 0.00 C ATOM 977 O LEU A 64 85.386 6.702 0.451 1.00 0.00 O ATOM 978 CB LEU A 64 82.690 5.485 1.761 1.00 0.00 C ATOM 979 CG LEU A 64 82.808 3.996 2.119 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.474 3.299 1.827 1.00 0.00 C ATOM 981 CD2 LEU A 64 83.924 3.346 1.285 1.00 0.00 C ATOM 0 H LEU A 64 82.503 7.171 3.555 1.00 0.00 H new ATOM 0 HA LEU A 64 84.662 5.561 2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.775 5.895 2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.617 5.600 0.680 1.00 0.00 H new ATOM 0 HG LEU A 64 83.050 3.895 3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.553 2.242 2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.686 3.757 2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.234 3.402 0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.003 2.290 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.690 3.444 0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.871 3.843 1.495 1.00 0.00 H new ATOM 993 N MET A 65 83.942 8.337 1.010 1.00 0.00 N ATOM 994 CA MET A 65 84.415 9.239 -0.040 1.00 0.00 C ATOM 995 C MET A 65 85.886 9.586 0.155 1.00 0.00 C ATOM 996 O MET A 65 86.708 9.355 -0.732 1.00 0.00 O ATOM 997 CB MET A 65 83.589 10.524 -0.044 1.00 0.00 C ATOM 998 CG MET A 65 82.144 10.191 -0.412 1.00 0.00 C ATOM 999 SD MET A 65 81.091 11.627 -0.087 1.00 0.00 S ATOM 1000 CE MET A 65 80.906 12.167 -1.802 1.00 0.00 C ATOM 0 H MET A 65 83.189 8.711 1.588 1.00 0.00 H new ATOM 0 HA MET A 65 84.300 8.727 -0.995 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.627 10.998 0.937 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.004 11.235 -0.758 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.081 9.911 -1.464 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.798 9.335 0.167 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.567 13.203 -1.823 1.00 0.00 H new ATOM 0 HE2 MET A 65 81.865 12.089 -2.313 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.174 11.535 -2.305 1.00 0.00 H new ATOM 1010 N GLU A 66 86.217 10.135 1.318 1.00 0.00 N ATOM 1011 CA GLU A 66 87.599 10.499 1.602 1.00 0.00 C ATOM 1012 C GLU A 66 88.480 9.260 1.535 1.00 0.00 C ATOM 1013 O GLU A 66 89.656 9.334 1.177 1.00 0.00 O ATOM 1014 CB GLU A 66 87.699 11.134 2.991 1.00 0.00 C ATOM 1015 CG GLU A 66 86.657 12.247 3.123 1.00 0.00 C ATOM 1016 CD GLU A 66 87.001 13.148 4.304 1.00 0.00 C ATOM 1017 OE1 GLU A 66 87.342 12.618 5.348 1.00 0.00 O1- ATOM 1018 OE2 GLU A 66 86.919 14.356 4.147 1.00 0.00 O ATOM 0 H GLU A 66 85.557 10.336 2.070 1.00 0.00 H new ATOM 0 HA GLU A 66 87.937 11.221 0.859 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.538 10.378 3.760 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.699 11.538 3.146 1.00 0.00 H new ATOM 0 HG2 GLU A 66 86.622 12.834 2.205 1.00 0.00 H new ATOM 0 HG3 GLU A 66 85.666 11.814 3.262 1.00 0.00 H new ATOM 1025 N TYR A 67 87.892 8.121 1.876 1.00 0.00 N ATOM 1026 CA TYR A 67 88.608 6.853 1.851 1.00 0.00 C ATOM 1027 C TYR A 67 88.720 6.333 0.420 1.00 0.00 C ATOM 1028 O TYR A 67 89.651 5.602 0.084 1.00 0.00 O ATOM 1029 CB TYR A 67 87.861 5.837 2.722 1.00 0.00 C ATOM 1030 CG TYR A 67 88.394 4.445 2.482 1.00 0.00 C ATOM 1031 CD1 TYR A 67 87.838 3.648 1.476 1.00 0.00 C ATOM 1032 CD2 TYR A 67 89.437 3.948 3.273 1.00 0.00 C ATOM 1033 CE1 TYR A 67 88.324 2.352 1.259 1.00 0.00 C ATOM 1034 CE2 TYR A 67 89.923 2.652 3.057 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.365 1.855 2.050 1.00 0.00 C ATOM 1036 OH TYR A 67 89.844 0.578 1.837 1.00 0.00 O ATOM 0 H TYR A 67 86.919 8.049 2.174 1.00 0.00 H new ATOM 0 HA TYR A 67 89.615 7.001 2.242 1.00 0.00 H new ATOM 0 HB2 TYR A 67 87.972 6.099 3.774 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.795 5.869 2.496 1.00 0.00 H new ATOM 0 HD1 TYR A 67 87.034 4.032 0.866 1.00 0.00 H new ATOM 0 HD2 TYR A 67 89.867 4.564 4.049 1.00 0.00 H new ATOM 0 HE1 TYR A 67 87.895 1.737 0.482 1.00 0.00 H new ATOM 0 HE2 TYR A 67 90.727 2.268 3.667 1.00 0.00 H new ATOM 0 HH TYR A 67 89.944 0.422 0.875 1.00 0.00 H new ATOM 1046 N LEU A 68 87.759 6.715 -0.416 1.00 0.00 N ATOM 1047 CA LEU A 68 87.745 6.280 -1.809 1.00 0.00 C ATOM 1048 C LEU A 68 88.738 7.090 -2.642 1.00 0.00 C ATOM 1049 O LEU A 68 89.147 6.661 -3.721 1.00 0.00 O ATOM 1050 CB LEU A 68 86.328 6.437 -2.386 1.00 0.00 C ATOM 1051 CG LEU A 68 85.573 5.102 -2.324 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.106 5.322 -2.698 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.189 4.100 -3.301 1.00 0.00 C ATOM 0 H LEU A 68 86.983 7.323 -0.155 1.00 0.00 H new ATOM 0 HA LEU A 68 88.040 5.232 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.783 7.197 -1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.385 6.782 -3.418 1.00 0.00 H new ATOM 0 HG LEU A 68 85.643 4.709 -1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.573 4.372 -2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.654 6.026 -1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 68 84.045 5.725 -3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.644 3.157 -3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.129 4.496 -4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.233 3.931 -3.039 1.00 0.00 H new ATOM 1065 N GLU A 69 89.122 8.262 -2.141 1.00 0.00 N ATOM 1066 CA GLU A 69 90.067 9.116 -2.859 1.00 0.00 C ATOM 1067 C GLU A 69 91.493 8.852 -2.383 1.00 0.00 C ATOM 1068 O GLU A 69 92.458 9.304 -3.000 1.00 0.00 O ATOM 1069 CB GLU A 69 89.701 10.596 -2.648 1.00 0.00 C ATOM 1070 CG GLU A 69 90.545 11.206 -1.522 1.00 0.00 C ATOM 1071 CD GLU A 69 90.006 12.584 -1.153 1.00 0.00 C ATOM 1072 OE1 GLU A 69 88.883 12.656 -0.684 1.00 0.00 O ATOM 1073 OE2 GLU A 69 90.727 13.550 -1.344 1.00 0.00 O1- ATOM 0 H GLU A 69 88.798 8.640 -1.251 1.00 0.00 H new ATOM 0 HA GLU A 69 90.010 8.885 -3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 69 89.862 11.151 -3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 69 88.642 10.683 -2.404 1.00 0.00 H new ATOM 0 HG2 GLU A 69 90.527 10.554 -0.649 1.00 0.00 H new ATOM 0 HG3 GLU A 69 91.585 11.286 -1.839 1.00 0.00 H new ATOM 1080 N ASN A 70 91.616 8.125 -1.281 1.00 0.00 N ATOM 1081 CA ASN A 70 92.927 7.812 -0.724 1.00 0.00 C ATOM 1082 C ASN A 70 92.795 6.791 0.407 1.00 0.00 C ATOM 1083 O ASN A 70 93.019 7.104 1.576 1.00 0.00 O ATOM 1084 CB ASN A 70 93.585 9.096 -0.203 1.00 0.00 C ATOM 1085 CG ASN A 70 95.103 8.991 -0.294 1.00 0.00 C ATOM 1086 OD1 ASN A 70 95.766 9.927 -0.743 1.00 0.00 O ATOM 1087 ND2 ASN A 70 95.698 7.901 0.105 1.00 0.00 N ATOM 0 H ASN A 70 90.829 7.742 -0.757 1.00 0.00 H new ATOM 0 HA ASN A 70 93.551 7.381 -1.507 1.00 0.00 H new ATOM 0 HB2 ASN A 70 93.238 9.951 -0.783 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.288 9.271 0.831 1.00 0.00 H new ATOM 0 HD21 ASN A 70 96.713 7.823 0.045 1.00 0.00 H new ATOM 0 HD22 ASN A 70 95.148 7.127 0.477 1.00 0.00 H new ATOM 1094 N PRO A 71 92.427 5.585 0.070 1.00 0.00 N ATOM 1095 CA PRO A 71 92.242 4.480 1.060 1.00 0.00 C ATOM 1096 C PRO A 71 93.438 4.311 1.998 1.00 0.00 C ATOM 1097 O PRO A 71 93.272 3.982 3.173 1.00 0.00 O ATOM 1098 CB PRO A 71 92.069 3.234 0.183 1.00 0.00 C ATOM 1099 CG PRO A 71 91.566 3.738 -1.129 1.00 0.00 C ATOM 1100 CD PRO A 71 92.142 5.143 -1.305 1.00 0.00 C ATOM 0 HA PRO A 71 91.398 4.676 1.721 1.00 0.00 H new ATOM 0 HB2 PRO A 71 93.014 2.703 0.064 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.364 2.533 0.631 1.00 0.00 H new ATOM 0 HG2 PRO A 71 91.882 3.085 -1.942 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.476 3.761 -1.144 1.00 0.00 H new ATOM 0 HD2 PRO A 71 93.045 5.131 -1.916 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.432 5.807 -1.799 1.00 0.00 H new ATOM 1108 N LYS A 72 94.636 4.514 1.467 1.00 0.00 N ATOM 1109 CA LYS A 72 95.852 4.356 2.258 1.00 0.00 C ATOM 1110 C LYS A 72 96.053 5.515 3.232 1.00 0.00 C ATOM 1111 O LYS A 72 96.356 5.304 4.405 1.00 0.00 O ATOM 1112 CB LYS A 72 97.063 4.266 1.328 1.00 0.00 C ATOM 1113 CG LYS A 72 98.328 3.953 2.148 1.00 0.00 C ATOM 1114 CD LYS A 72 98.932 2.616 1.697 1.00 0.00 C ATOM 1115 CE LYS A 72 98.053 1.458 2.179 1.00 0.00 C ATOM 1116 NZ LYS A 72 97.836 1.573 3.648 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.793 4.787 0.497 1.00 0.00 H new ATOM 0 HA LYS A 72 95.750 3.439 2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.902 3.490 0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.190 5.205 0.790 1.00 0.00 H new ATOM 0 HG2 LYS A 72 99.059 4.752 2.023 1.00 0.00 H new ATOM 0 HG3 LYS A 72 98.082 3.910 3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 72 99.016 2.593 0.610 1.00 0.00 H new ATOM 0 HD3 LYS A 72 99.940 2.509 2.097 1.00 0.00 H new ATOM 0 HE2 LYS A 72 97.096 1.473 1.658 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.528 0.505 1.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 97.481 0.668 4.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 98.735 1.809 4.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 97.140 2.322 3.839 1.00 0.00 H new ATOM 1130 N LYS A 73 95.909 6.736 2.734 1.00 0.00 N ATOM 1131 CA LYS A 73 96.107 7.917 3.567 1.00 0.00 C ATOM 1132 C LYS A 73 95.070 8.003 4.686 1.00 0.00 C ATOM 1133 O LYS A 73 95.364 8.507 5.770 1.00 0.00 O ATOM 1134 CB LYS A 73 96.037 9.184 2.709 1.00 0.00 C ATOM 1135 CG LYS A 73 96.381 10.418 3.562 1.00 0.00 C ATOM 1136 CD LYS A 73 95.097 11.152 3.965 1.00 0.00 C ATOM 1137 CE LYS A 73 95.455 12.386 4.797 1.00 0.00 C ATOM 1138 NZ LYS A 73 96.016 13.442 3.907 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.658 6.935 1.766 1.00 0.00 H new ATOM 0 HA LYS A 73 97.093 7.832 4.024 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.731 9.105 1.872 1.00 0.00 H new ATOM 0 HB3 LYS A 73 95.038 9.291 2.286 1.00 0.00 H new ATOM 0 HG2 LYS A 73 96.930 10.113 4.453 1.00 0.00 H new ATOM 0 HG3 LYS A 73 97.032 11.088 3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 73 94.540 11.448 3.076 1.00 0.00 H new ATOM 0 HD3 LYS A 73 94.451 10.488 4.539 1.00 0.00 H new ATOM 0 HE2 LYS A 73 94.569 12.761 5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 73 96.180 12.121 5.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 96.053 14.345 4.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 96.976 13.172 3.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 95.411 13.546 3.068 1.00 0.00 H new ATOM 1152 N TYR A 74 93.856 7.530 4.421 1.00 0.00 N ATOM 1153 CA TYR A 74 92.800 7.588 5.430 1.00 0.00 C ATOM 1154 C TYR A 74 93.144 6.706 6.628 1.00 0.00 C ATOM 1155 O TYR A 74 93.207 7.182 7.761 1.00 0.00 O ATOM 1156 CB TYR A 74 91.463 7.147 4.818 1.00 0.00 C ATOM 1157 CG TYR A 74 90.337 7.971 5.406 1.00 0.00 C ATOM 1158 CD1 TYR A 74 90.279 9.349 5.161 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.355 7.360 6.195 1.00 0.00 C ATOM 1160 CE1 TYR A 74 89.240 10.114 5.704 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.316 8.125 6.739 1.00 0.00 C ATOM 1162 CZ TYR A 74 88.258 9.502 6.493 1.00 0.00 C ATOM 1163 OH TYR A 74 87.234 10.256 7.029 1.00 0.00 O ATOM 0 H TYR A 74 93.580 7.109 3.534 1.00 0.00 H new ATOM 0 HA TYR A 74 92.713 8.618 5.776 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.489 7.270 3.735 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.293 6.088 5.015 1.00 0.00 H new ATOM 0 HD1 TYR A 74 91.036 9.821 4.553 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.399 6.298 6.384 1.00 0.00 H new ATOM 0 HE1 TYR A 74 89.196 11.176 5.514 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.559 7.653 7.348 1.00 0.00 H new ATOM 0 HH TYR A 74 87.151 11.096 6.531 1.00 0.00 H new ATOM 1173 N ILE A 75 93.366 5.420 6.372 1.00 0.00 N ATOM 1174 CA ILE A 75 93.707 4.479 7.437 1.00 0.00 C ATOM 1175 C ILE A 75 94.967 3.700 7.071 1.00 0.00 C ATOM 1176 O ILE A 75 94.907 2.507 6.776 1.00 0.00 O ATOM 1177 CB ILE A 75 92.548 3.502 7.665 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.259 4.289 7.927 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.853 2.610 8.875 1.00 0.00 C ATOM 1180 CD1 ILE A 75 90.050 3.373 7.725 1.00 0.00 C ATOM 0 H ILE A 75 93.317 5.006 5.441 1.00 0.00 H new ATOM 0 HA ILE A 75 93.890 5.042 8.352 1.00 0.00 H new ATOM 0 HB ILE A 75 92.423 2.880 6.779 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.263 4.685 8.942 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.198 5.143 7.252 1.00 0.00 H new ATOM 0 HG21 ILE A 75 92.027 1.917 9.034 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.768 2.047 8.691 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.981 3.231 9.762 1.00 0.00 H new ATOM 0 HD11 ILE A 75 89.134 3.933 7.911 1.00 0.00 H new ATOM 0 HD12 ILE A 75 90.044 2.998 6.701 1.00 0.00 H new ATOM 0 HD13 ILE A 75 90.109 2.534 8.418 1.00 0.00 H new ATOM 1192 N PRO A 76 96.101 4.354 7.080 1.00 0.00 N ATOM 1193 CA PRO A 76 97.401 3.714 6.739 1.00 0.00 C ATOM 1194 C PRO A 76 97.515 2.308 7.317 1.00 0.00 C ATOM 1195 O PRO A 76 96.894 1.993 8.330 1.00 0.00 O ATOM 1196 CB PRO A 76 98.427 4.660 7.362 1.00 0.00 C ATOM 1197 CG PRO A 76 97.783 6.009 7.322 1.00 0.00 C ATOM 1198 CD PRO A 76 96.269 5.778 7.421 1.00 0.00 C ATOM 0 HA PRO A 76 97.535 3.580 5.666 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.665 4.366 8.384 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.362 4.652 6.802 1.00 0.00 H new ATOM 0 HG2 PRO A 76 98.134 6.630 8.146 1.00 0.00 H new ATOM 0 HG3 PRO A 76 98.035 6.531 6.399 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.897 5.995 8.422 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.722 6.421 6.731 1.00 0.00 H new ATOM 1206 N GLY A 77 98.307 1.465 6.664 1.00 0.00 N ATOM 1207 CA GLY A 77 98.485 0.091 7.120 1.00 0.00 C ATOM 1208 C GLY A 77 97.456 -0.825 6.471 1.00 0.00 C ATOM 1209 O GLY A 77 97.698 -2.020 6.292 1.00 0.00 O ATOM 0 H GLY A 77 98.832 1.706 5.824 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.491 -0.252 6.876 1.00 0.00 H new ATOM 0 HA3 GLY A 77 98.387 0.046 8.205 1.00 0.00 H new ATOM 1213 N THR A 78 96.308 -0.256 6.112 1.00 0.00 N ATOM 1214 CA THR A 78 95.248 -1.029 5.475 1.00 0.00 C ATOM 1215 C THR A 78 95.782 -1.721 4.228 1.00 0.00 C ATOM 1216 O THR A 78 96.601 -1.159 3.500 1.00 0.00 O ATOM 1217 CB THR A 78 94.092 -0.108 5.092 1.00 0.00 C ATOM 1218 OG1 THR A 78 93.026 -0.884 4.563 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.571 0.891 4.042 1.00 0.00 C ATOM 0 H THR A 78 96.090 0.731 6.250 1.00 0.00 H new ATOM 0 HA THR A 78 94.892 -1.783 6.178 1.00 0.00 H new ATOM 0 HB THR A 78 93.743 0.431 5.973 1.00 0.00 H new ATOM 0 HG1 THR A 78 92.282 -0.295 4.318 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.749 1.551 3.766 1.00 0.00 H new ATOM 0 HG22 THR A 78 95.390 1.483 4.450 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.917 0.353 3.159 1.00 0.00 H new ATOM 1227 N LYS A 79 95.324 -2.946 3.985 1.00 0.00 N ATOM 1228 CA LYS A 79 95.783 -3.694 2.816 1.00 0.00 C ATOM 1229 C LYS A 79 94.881 -3.425 1.610 1.00 0.00 C ATOM 1230 O LYS A 79 93.888 -4.120 1.391 1.00 0.00 O ATOM 1231 CB LYS A 79 95.805 -5.197 3.138 1.00 0.00 C ATOM 1232 CG LYS A 79 97.045 -5.853 2.511 1.00 0.00 C ATOM 1233 CD LYS A 79 98.255 -5.660 3.435 1.00 0.00 C ATOM 1234 CE LYS A 79 99.546 -5.861 2.641 1.00 0.00 C ATOM 1235 NZ LYS A 79 99.514 -7.191 1.967 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.647 -3.436 4.570 1.00 0.00 H new ATOM 0 HA LYS A 79 96.792 -3.365 2.566 1.00 0.00 H new ATOM 0 HB2 LYS A 79 95.812 -5.345 4.218 1.00 0.00 H new ATOM 0 HB3 LYS A 79 94.901 -5.672 2.757 1.00 0.00 H new ATOM 0 HG2 LYS A 79 96.864 -6.916 2.350 1.00 0.00 H new ATOM 0 HG3 LYS A 79 97.247 -5.413 1.535 1.00 0.00 H new ATOM 0 HD2 LYS A 79 98.236 -4.661 3.871 1.00 0.00 H new ATOM 0 HD3 LYS A 79 98.211 -6.369 4.261 1.00 0.00 H new ATOM 0 HE2 LYS A 79 99.657 -5.069 1.901 1.00 0.00 H new ATOM 0 HE3 LYS A 79 100.408 -5.799 3.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 100.476 -7.455 1.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 99.145 -7.906 2.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 98.898 -7.141 1.130 1.00 0.00 H new ATOM 1249 N MET A 80 95.245 -2.416 0.820 1.00 0.00 N ATOM 1250 CA MET A 80 94.474 -2.065 -0.369 1.00 0.00 C ATOM 1251 C MET A 80 95.154 -0.928 -1.128 1.00 0.00 C ATOM 1252 O MET A 80 94.966 0.246 -0.808 1.00 0.00 O ATOM 1253 CB MET A 80 93.052 -1.642 0.020 1.00 0.00 C ATOM 1254 CG MET A 80 92.338 -1.065 -1.207 1.00 0.00 C ATOM 1255 SD MET A 80 90.551 -1.008 -0.908 1.00 0.00 S ATOM 1256 CE MET A 80 90.219 0.532 -1.799 1.00 0.00 C ATOM 0 H MET A 80 96.065 -1.831 0.981 1.00 0.00 H new ATOM 0 HA MET A 80 94.422 -2.944 -1.012 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.499 -2.498 0.407 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.087 -0.899 0.817 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.712 -0.064 -1.419 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.550 -1.677 -2.084 1.00 0.00 H new ATOM 0 HE1 MET A 80 90.033 1.333 -1.084 1.00 0.00 H new ATOM 0 HE2 MET A 80 91.081 0.789 -2.415 1.00 0.00 H new ATOM 0 HE3 MET A 80 89.343 0.403 -2.435 1.00 0.00 H new ATOM 1266 N ILE A 81 95.941 -1.288 -2.137 1.00 0.00 N ATOM 1267 CA ILE A 81 96.648 -0.299 -2.948 1.00 0.00 C ATOM 1268 C ILE A 81 96.380 -0.546 -4.430 1.00 0.00 C ATOM 1269 O ILE A 81 96.851 -1.532 -4.998 1.00 0.00 O ATOM 1270 CB ILE A 81 98.154 -0.376 -2.680 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.433 -0.080 -1.197 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.875 0.656 -3.552 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.306 -1.363 -0.364 1.00 0.00 C ATOM 0 H ILE A 81 96.106 -2.256 -2.414 1.00 0.00 H new ATOM 0 HA ILE A 81 96.286 0.693 -2.679 1.00 0.00 H new ATOM 0 HB ILE A 81 98.515 -1.376 -2.920 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.434 0.337 -1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 81 97.732 0.670 -0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 81 99.948 0.605 -3.365 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.680 0.444 -4.603 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.512 1.655 -3.310 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.506 -1.138 0.684 1.00 0.00 H new ATOM 0 HD12 ILE A 81 97.297 -1.763 -0.463 1.00 0.00 H new ATOM 0 HD13 ILE A 81 99.025 -2.101 -0.720 1.00 0.00 H new ATOM 1285 N PHE A 82 95.620 0.352 -5.049 1.00 0.00 N ATOM 1286 CA PHE A 82 95.294 0.219 -6.467 1.00 0.00 C ATOM 1287 C PHE A 82 95.231 1.589 -7.136 1.00 0.00 C ATOM 1288 O PHE A 82 96.211 2.047 -7.722 1.00 0.00 O ATOM 1289 CB PHE A 82 93.950 -0.501 -6.624 1.00 0.00 C ATOM 1290 CG PHE A 82 93.522 -0.469 -8.074 1.00 0.00 C ATOM 1291 CD1 PHE A 82 94.311 -1.092 -9.050 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.338 0.183 -8.444 1.00 0.00 C ATOM 1293 CE1 PHE A 82 93.916 -1.064 -10.392 1.00 0.00 C ATOM 1294 CE2 PHE A 82 91.944 0.211 -9.787 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.733 -0.413 -10.761 1.00 0.00 C ATOM 0 H PHE A 82 95.220 1.174 -4.596 1.00 0.00 H new ATOM 0 HA PHE A 82 96.077 -0.366 -6.951 1.00 0.00 H new ATOM 0 HB2 PHE A 82 94.037 -1.533 -6.283 1.00 0.00 H new ATOM 0 HB3 PHE A 82 93.195 -0.022 -6.001 1.00 0.00 H new ATOM 0 HD1 PHE A 82 95.224 -1.594 -8.766 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.729 0.664 -7.693 1.00 0.00 H new ATOM 0 HE1 PHE A 82 94.524 -1.545 -11.144 1.00 0.00 H new ATOM 0 HE2 PHE A 82 91.032 0.714 -10.072 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.429 -0.392 -11.797 1.00 0.00 H new ATOM 1305 N ALA A 83 94.074 2.238 -7.048 1.00 0.00 N ATOM 1306 CA ALA A 83 93.902 3.554 -7.653 1.00 0.00 C ATOM 1307 C ALA A 83 92.698 4.272 -7.050 1.00 0.00 C ATOM 1308 O ALA A 83 91.553 3.877 -7.272 1.00 0.00 O ATOM 1309 CB ALA A 83 93.706 3.412 -9.164 1.00 0.00 C ATOM 0 H ALA A 83 93.249 1.878 -6.568 1.00 0.00 H new ATOM 0 HA ALA A 83 94.798 4.142 -7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.578 4.399 -9.609 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.580 2.928 -9.600 1.00 0.00 H new ATOM 0 HB3 ALA A 83 92.820 2.808 -9.361 1.00 0.00 H new ATOM 1315 N GLY A 84 92.965 5.329 -6.289 1.00 0.00 N ATOM 1316 CA GLY A 84 91.893 6.096 -5.663 1.00 0.00 C ATOM 1317 C GLY A 84 90.995 6.732 -6.718 1.00 0.00 C ATOM 1318 O GLY A 84 91.249 6.614 -7.916 1.00 0.00 O ATOM 0 H GLY A 84 93.905 5.672 -6.092 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.301 5.444 -5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.319 6.871 -5.026 1.00 0.00 H new ATOM 1322 N ILE A 85 89.944 7.408 -6.264 1.00 0.00 N ATOM 1323 CA ILE A 85 89.013 8.061 -7.181 1.00 0.00 C ATOM 1324 C ILE A 85 89.489 9.477 -7.501 1.00 0.00 C ATOM 1325 O ILE A 85 90.261 10.065 -6.746 1.00 0.00 O ATOM 1326 CB ILE A 85 87.618 8.107 -6.553 1.00 0.00 C ATOM 1327 CG1 ILE A 85 87.060 6.678 -6.425 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.687 8.955 -7.422 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.352 6.258 -7.719 1.00 0.00 C ATOM 0 H ILE A 85 89.716 7.518 -5.276 1.00 0.00 H new ATOM 0 HA ILE A 85 88.971 7.490 -8.109 1.00 0.00 H new ATOM 0 HB ILE A 85 87.684 8.555 -5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.871 5.983 -6.206 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.362 6.628 -5.589 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.695 8.985 -6.971 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.082 9.968 -7.497 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.620 8.517 -8.418 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.964 5.245 -7.609 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.528 6.942 -7.921 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.060 6.288 -8.547 1.00 0.00 H new ATOM 1341 N LYS A 86 89.032 10.013 -8.631 1.00 0.00 N ATOM 1342 CA LYS A 86 89.431 11.356 -9.048 1.00 0.00 C ATOM 1343 C LYS A 86 88.373 12.395 -8.678 1.00 0.00 C ATOM 1344 O LYS A 86 88.592 13.227 -7.798 1.00 0.00 O ATOM 1345 CB LYS A 86 89.658 11.382 -10.564 1.00 0.00 C ATOM 1346 CG LYS A 86 91.052 10.838 -10.888 1.00 0.00 C ATOM 1347 CD LYS A 86 91.271 10.865 -12.402 1.00 0.00 C ATOM 1348 CE LYS A 86 92.751 10.636 -12.711 1.00 0.00 C ATOM 1349 NZ LYS A 86 92.980 10.776 -14.178 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.391 9.543 -9.270 1.00 0.00 H new ATOM 0 HA LYS A 86 90.355 11.607 -8.526 1.00 0.00 H new ATOM 0 HB2 LYS A 86 88.898 10.783 -11.065 1.00 0.00 H new ATOM 0 HB3 LYS A 86 89.559 12.401 -10.939 1.00 0.00 H new ATOM 0 HG2 LYS A 86 91.813 11.438 -10.389 1.00 0.00 H new ATOM 0 HG3 LYS A 86 91.153 9.819 -10.513 1.00 0.00 H new ATOM 0 HD2 LYS A 86 90.666 10.095 -12.881 1.00 0.00 H new ATOM 0 HD3 LYS A 86 90.948 11.823 -12.809 1.00 0.00 H new ATOM 0 HE2 LYS A 86 93.363 11.355 -12.166 1.00 0.00 H new ATOM 0 HE3 LYS A 86 93.054 9.643 -12.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 93.986 10.620 -14.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 92.407 10.073 -14.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 92.706 11.732 -14.482 1.00 0.00 H new ATOM 1363 N LYS A 87 87.235 12.356 -9.368 1.00 0.00 N ATOM 1364 CA LYS A 87 86.166 13.317 -9.114 1.00 0.00 C ATOM 1365 C LYS A 87 85.287 12.882 -7.944 1.00 0.00 C ATOM 1366 O LYS A 87 85.300 11.719 -7.537 1.00 0.00 O ATOM 1367 CB LYS A 87 85.306 13.479 -10.368 1.00 0.00 C ATOM 1368 CG LYS A 87 86.201 13.846 -11.556 1.00 0.00 C ATOM 1369 CD LYS A 87 85.373 13.863 -12.853 1.00 0.00 C ATOM 1370 CE LYS A 87 85.831 12.731 -13.777 1.00 0.00 C ATOM 1371 NZ LYS A 87 84.917 12.651 -14.951 1.00 0.00 N1+ ATOM 0 H LYS A 87 87.031 11.676 -10.100 1.00 0.00 H new ATOM 0 HA LYS A 87 86.628 14.270 -8.855 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.769 12.554 -10.576 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.556 14.254 -10.210 1.00 0.00 H new ATOM 0 HG2 LYS A 87 86.655 14.823 -11.392 1.00 0.00 H new ATOM 0 HG3 LYS A 87 87.015 13.127 -11.644 1.00 0.00 H new ATOM 0 HD2 LYS A 87 84.314 13.749 -12.621 1.00 0.00 H new ATOM 0 HD3 LYS A 87 85.487 14.823 -13.355 1.00 0.00 H new ATOM 0 HE2 LYS A 87 86.854 12.909 -14.110 1.00 0.00 H new ATOM 0 HE3 LYS A 87 85.832 11.784 -13.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 85.226 11.883 -15.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 83.948 12.462 -14.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 84.938 13.552 -15.469 1.00 0.00 H new ATOM 1385 N LYS A 88 84.523 13.829 -7.410 1.00 0.00 N ATOM 1386 CA LYS A 88 83.637 13.541 -6.290 1.00 0.00 C ATOM 1387 C LYS A 88 82.465 12.679 -6.750 1.00 0.00 C ATOM 1388 O LYS A 88 82.159 11.661 -6.133 1.00 0.00 O ATOM 1389 CB LYS A 88 83.122 14.854 -5.680 1.00 0.00 C ATOM 1390 CG LYS A 88 81.939 14.582 -4.730 1.00 0.00 C ATOM 1391 CD LYS A 88 80.609 14.857 -5.448 1.00 0.00 C ATOM 1392 CE LYS A 88 79.495 15.043 -4.416 1.00 0.00 C ATOM 1393 NZ LYS A 88 79.602 16.400 -3.809 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.500 14.796 -7.733 1.00 0.00 H new ATOM 0 HA LYS A 88 84.195 12.992 -5.531 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.926 15.349 -5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.810 15.533 -6.474 1.00 0.00 H new ATOM 0 HG2 LYS A 88 81.969 13.548 -4.387 1.00 0.00 H new ATOM 0 HG3 LYS A 88 82.021 15.214 -3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 88 80.697 15.750 -6.067 1.00 0.00 H new ATOM 0 HD3 LYS A 88 80.366 14.029 -6.114 1.00 0.00 H new ATOM 0 HE2 LYS A 88 78.521 14.921 -4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.571 14.280 -3.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 78.707 16.640 -3.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 80.375 16.409 -3.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 79.798 17.099 -4.554 1.00 0.00 H new ATOM 1407 N THR A 89 81.815 13.086 -7.837 1.00 0.00 N ATOM 1408 CA THR A 89 80.682 12.326 -8.355 1.00 0.00 C ATOM 1409 C THR A 89 81.064 10.866 -8.546 1.00 0.00 C ATOM 1410 O THR A 89 80.215 9.980 -8.478 1.00 0.00 O ATOM 1411 CB THR A 89 80.210 12.901 -9.689 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.304 12.956 -10.594 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.648 14.307 -9.474 1.00 0.00 C ATOM 0 H THR A 89 82.049 13.924 -8.369 1.00 0.00 H new ATOM 0 HA THR A 89 79.872 12.396 -7.629 1.00 0.00 H new ATOM 0 HB THR A 89 79.429 12.263 -10.103 1.00 0.00 H new ATOM 0 HG1 THR A 89 81.002 13.323 -11.451 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.312 14.714 -10.428 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.807 14.261 -8.783 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.424 14.949 -9.058 1.00 0.00 H new ATOM 1421 N GLU A 90 82.348 10.617 -8.774 1.00 0.00 N ATOM 1422 CA GLU A 90 82.817 9.252 -8.953 1.00 0.00 C ATOM 1423 C GLU A 90 82.691 8.507 -7.632 1.00 0.00 C ATOM 1424 O GLU A 90 82.292 7.345 -7.595 1.00 0.00 O ATOM 1425 CB GLU A 90 84.274 9.246 -9.426 1.00 0.00 C ATOM 1426 CG GLU A 90 84.333 9.539 -10.927 1.00 0.00 C ATOM 1427 CD GLU A 90 85.783 9.559 -11.398 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.641 9.892 -10.596 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 86.015 9.242 -12.552 1.00 0.00 O ATOM 0 H GLU A 90 83.072 11.332 -8.838 1.00 0.00 H new ATOM 0 HA GLU A 90 82.210 8.757 -9.711 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.847 9.994 -8.877 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.730 8.278 -9.217 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.774 8.781 -11.476 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.860 10.498 -11.137 1.00 0.00 H new ATOM 1436 N ARG A 91 83.017 9.201 -6.544 1.00 0.00 N ATOM 1437 CA ARG A 91 82.920 8.614 -5.215 1.00 0.00 C ATOM 1438 C ARG A 91 81.457 8.498 -4.803 1.00 0.00 C ATOM 1439 O ARG A 91 81.010 7.443 -4.362 1.00 0.00 O ATOM 1440 CB ARG A 91 83.659 9.491 -4.201 1.00 0.00 C ATOM 1441 CG ARG A 91 85.113 9.674 -4.637 1.00 0.00 C ATOM 1442 CD ARG A 91 85.907 10.368 -3.521 1.00 0.00 C ATOM 1443 NE ARG A 91 86.547 11.574 -4.034 1.00 0.00 N ATOM 1444 CZ ARG A 91 86.987 12.522 -3.214 1.00 0.00 C ATOM 1445 NH1 ARG A 91 86.856 12.384 -1.923 1.00 0.00 N ATOM 1446 NH2 ARG A 91 87.551 13.594 -3.700 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.349 10.165 -6.559 1.00 0.00 H new ATOM 0 HA ARG A 91 83.372 7.622 -5.237 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.169 10.461 -4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.621 9.032 -3.213 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.559 8.706 -4.865 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.157 10.268 -5.550 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.242 10.623 -2.696 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.661 9.688 -3.124 1.00 0.00 H new ATOM 0 HE ARG A 91 86.659 11.692 -5.041 1.00 0.00 H new ATOM 0 HH11 ARG A 91 86.415 11.547 -1.542 1.00 0.00 H new ATOM 0 HH12 ARG A 91 87.195 13.113 -1.295 1.00 0.00 H new ATOM 0 HH21 ARG A 91 87.654 13.704 -4.709 1.00 0.00 H new ATOM 0 HH22 ARG A 91 87.889 14.322 -3.071 1.00 0.00 H new ATOM 1460 N GLU A 92 80.715 9.593 -4.953 1.00 0.00 N ATOM 1461 CA GLU A 92 79.302 9.601 -4.593 1.00 0.00 C ATOM 1462 C GLU A 92 78.554 8.528 -5.378 1.00 0.00 C ATOM 1463 O GLU A 92 77.875 7.682 -4.797 1.00 0.00 O ATOM 1464 CB GLU A 92 78.694 10.972 -4.891 1.00 0.00 C ATOM 1465 CG GLU A 92 77.295 11.056 -4.276 1.00 0.00 C ATOM 1466 CD GLU A 92 76.604 12.340 -4.722 1.00 0.00 C ATOM 1467 OE1 GLU A 92 76.701 12.666 -5.894 1.00 0.00 O1- ATOM 1468 OE2 GLU A 92 75.986 12.979 -3.885 1.00 0.00 O ATOM 0 H GLU A 92 81.066 10.478 -5.318 1.00 0.00 H new ATOM 0 HA GLU A 92 79.212 9.392 -3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.329 11.759 -4.485 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.639 11.131 -5.968 1.00 0.00 H new ATOM 0 HG2 GLU A 92 76.704 10.192 -4.578 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.365 11.030 -3.189 1.00 0.00 H new ATOM 1475 N ASP A 93 78.693 8.562 -6.700 1.00 0.00 N ATOM 1476 CA ASP A 93 78.032 7.577 -7.547 1.00 0.00 C ATOM 1477 C ASP A 93 78.491 6.172 -7.171 1.00 0.00 C ATOM 1478 O ASP A 93 77.676 5.270 -6.980 1.00 0.00 O ATOM 1479 CB ASP A 93 78.357 7.846 -9.018 1.00 0.00 C ATOM 1480 CG ASP A 93 77.767 9.184 -9.446 1.00 0.00 C ATOM 1481 OD1 ASP A 93 77.120 9.813 -8.625 1.00 0.00 O ATOM 1482 OD2 ASP A 93 77.972 9.562 -10.587 1.00 0.00 O1- ATOM 0 H ASP A 93 79.251 9.253 -7.203 1.00 0.00 H new ATOM 0 HA ASP A 93 76.955 7.655 -7.398 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.437 7.852 -9.165 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.955 7.046 -9.640 1.00 0.00 H new ATOM 1487 N LEU A 94 79.804 5.999 -7.060 1.00 0.00 N ATOM 1488 CA LEU A 94 80.370 4.704 -6.698 1.00 0.00 C ATOM 1489 C LEU A 94 79.829 4.247 -5.354 1.00 0.00 C ATOM 1490 O LEU A 94 79.598 3.057 -5.136 1.00 0.00 O ATOM 1491 CB LEU A 94 81.894 4.809 -6.607 1.00 0.00 C ATOM 1492 CG LEU A 94 82.482 3.483 -6.124 1.00 0.00 C ATOM 1493 CD1 LEU A 94 82.032 2.354 -7.049 1.00 0.00 C ATOM 1494 CD2 LEU A 94 84.009 3.574 -6.130 1.00 0.00 C ATOM 0 H LEU A 94 80.493 6.735 -7.215 1.00 0.00 H new ATOM 0 HA LEU A 94 80.092 3.981 -7.465 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.308 5.066 -7.582 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.171 5.610 -5.922 1.00 0.00 H new ATOM 0 HG LEU A 94 82.133 3.278 -5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.453 1.410 -6.702 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.944 2.290 -7.043 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.378 2.555 -8.063 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.431 2.630 -5.786 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.357 3.780 -7.142 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.328 4.377 -5.466 1.00 0.00 H new ATOM 1506 N ILE A 95 79.648 5.200 -4.451 1.00 0.00 N ATOM 1507 CA ILE A 95 79.154 4.887 -3.123 1.00 0.00 C ATOM 1508 C ILE A 95 77.655 4.632 -3.159 1.00 0.00 C ATOM 1509 O ILE A 95 77.126 3.873 -2.347 1.00 0.00 O ATOM 1510 CB ILE A 95 79.499 6.029 -2.158 1.00 0.00 C ATOM 1511 CG1 ILE A 95 80.973 5.881 -1.735 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.593 5.967 -0.920 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.638 7.254 -1.596 1.00 0.00 C ATOM 0 H ILE A 95 79.835 6.189 -4.614 1.00 0.00 H new ATOM 0 HA ILE A 95 79.637 3.977 -2.767 1.00 0.00 H new ATOM 0 HB ILE A 95 79.344 6.989 -2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 95 81.032 5.345 -0.788 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.510 5.285 -2.473 1.00 0.00 H new ATOM 0 HG21 ILE A 95 78.847 6.782 -0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.551 6.061 -1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 95 78.737 5.014 -0.411 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.678 7.126 -1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.597 7.776 -2.552 1.00 0.00 H new ATOM 0 HD13 ILE A 95 81.112 7.838 -0.841 1.00 0.00 H new ATOM 1525 N ALA A 96 76.978 5.246 -4.119 1.00 0.00 N ATOM 1526 CA ALA A 96 75.547 5.046 -4.259 1.00 0.00 C ATOM 1527 C ALA A 96 75.281 3.586 -4.604 1.00 0.00 C ATOM 1528 O ALA A 96 74.300 2.992 -4.151 1.00 0.00 O ATOM 1529 CB ALA A 96 74.995 5.952 -5.359 1.00 0.00 C ATOM 0 H ALA A 96 77.392 5.879 -4.804 1.00 0.00 H new ATOM 0 HA ALA A 96 75.051 5.297 -3.322 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.921 5.794 -5.456 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.187 6.994 -5.103 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.483 5.715 -6.304 1.00 0.00 H new ATOM 1535 N TYR A 97 76.180 3.008 -5.398 1.00 0.00 N ATOM 1536 CA TYR A 97 76.050 1.613 -5.786 1.00 0.00 C ATOM 1537 C TYR A 97 76.463 0.712 -4.628 1.00 0.00 C ATOM 1538 O TYR A 97 75.748 -0.223 -4.279 1.00 0.00 O ATOM 1539 CB TYR A 97 76.921 1.311 -7.009 1.00 0.00 C ATOM 1540 CG TYR A 97 76.980 -0.185 -7.228 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.929 -0.841 -7.880 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.081 -0.917 -6.769 1.00 0.00 C ATOM 1543 CE1 TYR A 97 75.980 -2.227 -8.073 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.133 -2.303 -6.964 1.00 0.00 C ATOM 1545 CZ TYR A 97 77.082 -2.957 -7.616 1.00 0.00 C ATOM 1546 OH TYR A 97 77.132 -4.322 -7.805 1.00 0.00 O ATOM 0 H TYR A 97 76.998 3.482 -5.780 1.00 0.00 H new ATOM 0 HA TYR A 97 75.008 1.421 -6.042 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.511 1.803 -7.891 1.00 0.00 H new ATOM 0 HB3 TYR A 97 77.925 1.708 -6.861 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.078 -0.278 -8.234 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.891 -0.413 -6.264 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.168 -2.732 -8.575 1.00 0.00 H new ATOM 0 HE2 TYR A 97 78.984 -2.867 -6.611 1.00 0.00 H new ATOM 0 HH TYR A 97 78.056 -4.594 -7.984 1.00 0.00 H new ATOM 1556 N LEU A 98 77.618 1.001 -4.031 1.00 0.00 N ATOM 1557 CA LEU A 98 78.099 0.207 -2.909 1.00 0.00 C ATOM 1558 C LEU A 98 77.017 0.114 -1.835 1.00 0.00 C ATOM 1559 O LEU A 98 77.012 -0.806 -1.019 1.00 0.00 O ATOM 1560 CB LEU A 98 79.363 0.841 -2.312 1.00 0.00 C ATOM 1561 CG LEU A 98 80.580 0.525 -3.199 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.668 1.581 -2.997 1.00 0.00 C ATOM 1563 CD2 LEU A 98 81.151 -0.848 -2.827 1.00 0.00 C ATOM 0 H LEU A 98 78.230 1.770 -4.303 1.00 0.00 H new ATOM 0 HA LEU A 98 78.339 -0.794 -3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 98 79.234 1.920 -2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.529 0.461 -1.304 1.00 0.00 H new ATOM 0 HG LEU A 98 80.259 0.525 -4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.524 1.347 -3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.277 2.562 -3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 98 81.980 1.587 -1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 98 82.012 -1.067 -3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.459 -0.843 -1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.388 -1.612 -2.977 1.00 0.00 H new ATOM 1575 N LYS A 99 76.097 1.077 -1.846 1.00 0.00 N ATOM 1576 CA LYS A 99 75.011 1.099 -0.871 1.00 0.00 C ATOM 1577 C LYS A 99 73.901 0.135 -1.280 1.00 0.00 C ATOM 1578 O LYS A 99 73.417 -0.649 -0.465 1.00 0.00 O ATOM 1579 CB LYS A 99 74.442 2.521 -0.750 1.00 0.00 C ATOM 1580 CG LYS A 99 75.253 3.327 0.273 1.00 0.00 C ATOM 1581 CD LYS A 99 74.507 4.619 0.619 1.00 0.00 C ATOM 1582 CE LYS A 99 74.502 5.553 -0.592 1.00 0.00 C ATOM 1583 NZ LYS A 99 74.110 6.924 -0.158 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.082 1.847 -2.515 1.00 0.00 H new ATOM 0 HA LYS A 99 75.409 0.785 0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.471 3.017 -1.720 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.396 2.478 -0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.412 2.735 1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.238 3.561 -0.132 1.00 0.00 H new ATOM 0 HD2 LYS A 99 73.484 4.390 0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 99 74.985 5.110 1.467 1.00 0.00 H new ATOM 0 HE2 LYS A 99 75.489 5.574 -1.053 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.806 5.185 -1.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 74.073 7.553 -0.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 73.174 6.891 0.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 74.809 7.286 0.521 1.00 0.00 H new ATOM 1597 N LYS A 100 73.501 0.201 -2.545 1.00 0.00 N ATOM 1598 CA LYS A 100 72.442 -0.671 -3.045 1.00 0.00 C ATOM 1599 C LYS A 100 72.986 -2.067 -3.335 1.00 0.00 C ATOM 1600 O LYS A 100 72.224 -3.023 -3.475 1.00 0.00 O ATOM 1601 CB LYS A 100 71.839 -0.078 -4.320 1.00 0.00 C ATOM 1602 CG LYS A 100 70.993 1.148 -3.962 1.00 0.00 C ATOM 1603 CD LYS A 100 70.750 1.989 -5.218 1.00 0.00 C ATOM 1604 CE LYS A 100 69.946 3.237 -4.849 1.00 0.00 C ATOM 1605 NZ LYS A 100 70.035 4.232 -5.955 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.889 0.842 -3.238 1.00 0.00 H new ATOM 0 HA LYS A 100 71.669 -0.750 -2.280 1.00 0.00 H new ATOM 0 HB2 LYS A 100 72.632 0.204 -5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 100 71.224 -0.823 -4.825 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.042 0.833 -3.533 1.00 0.00 H new ATOM 0 HG3 LYS A 100 71.502 1.745 -3.205 1.00 0.00 H new ATOM 0 HD2 LYS A 100 71.701 2.276 -5.666 1.00 0.00 H new ATOM 0 HD3 LYS A 100 70.211 1.403 -5.962 1.00 0.00 H new ATOM 0 HE2 LYS A 100 68.905 2.971 -4.668 1.00 0.00 H new ATOM 0 HE3 LYS A 100 70.330 3.669 -3.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 69.408 5.036 -5.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 71.015 4.570 -6.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 69.744 3.785 -6.848 1.00 0.00 H new ATOM 1619 N ALA A 101 74.307 -2.174 -3.420 1.00 0.00 N ATOM 1620 CA ALA A 101 74.950 -3.455 -3.692 1.00 0.00 C ATOM 1621 C ALA A 101 75.178 -4.223 -2.396 1.00 0.00 C ATOM 1622 O ALA A 101 75.116 -5.452 -2.371 1.00 0.00 O ATOM 1623 CB ALA A 101 76.291 -3.226 -4.392 1.00 0.00 C ATOM 0 H ALA A 101 74.952 -1.392 -3.305 1.00 0.00 H new ATOM 0 HA ALA A 101 74.296 -4.040 -4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.766 -4.187 -4.592 1.00 0.00 H new ATOM 0 HB2 ALA A 101 76.125 -2.700 -5.332 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.939 -2.628 -3.751 1.00 0.00 H new ATOM 1629 N THR A 102 75.443 -3.487 -1.321 1.00 0.00 N ATOM 1630 CA THR A 102 75.683 -4.105 -0.021 1.00 0.00 C ATOM 1631 C THR A 102 74.371 -4.271 0.730 1.00 0.00 C ATOM 1632 O THR A 102 74.338 -4.800 1.842 1.00 0.00 O ATOM 1633 CB THR A 102 76.638 -3.237 0.798 1.00 0.00 C ATOM 1634 OG1 THR A 102 76.123 -1.916 0.883 1.00 0.00 O ATOM 1635 CG2 THR A 102 78.005 -3.213 0.120 1.00 0.00 C ATOM 0 H THR A 102 75.497 -2.468 -1.323 1.00 0.00 H new ATOM 0 HA THR A 102 76.131 -5.087 -0.175 1.00 0.00 H new ATOM 0 HB THR A 102 76.738 -3.649 1.802 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.581 -1.344 0.233 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.689 -2.595 0.702 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.398 -4.228 0.057 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.906 -2.799 -0.884 1.00 0.00 H new ATOM 1643 N ASN A 103 73.293 -3.812 0.107 1.00 0.00 N ATOM 1644 CA ASN A 103 71.969 -3.903 0.706 1.00 0.00 C ATOM 1645 C ASN A 103 71.225 -5.114 0.154 1.00 0.00 C ATOM 1646 O ASN A 103 70.304 -5.632 0.786 1.00 0.00 O ATOM 1647 CB ASN A 103 71.183 -2.629 0.397 1.00 0.00 C ATOM 1648 CG ASN A 103 71.624 -1.504 1.324 1.00 0.00 C ATOM 1649 OD1 ASN A 103 70.845 -0.597 1.616 1.00 0.00 O ATOM 1650 ND2 ASN A 103 72.833 -1.510 1.807 1.00 0.00 N ATOM 0 H ASN A 103 73.310 -3.373 -0.813 1.00 0.00 H new ATOM 0 HA ASN A 103 72.072 -4.016 1.785 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.341 -2.338 -0.641 1.00 0.00 H new ATOM 0 HB3 ASN A 103 70.115 -2.813 0.518 1.00 0.00 H new ATOM 0 HD21 ASN A 103 73.137 -0.761 2.430 1.00 0.00 H new ATOM 0 HD22 ASN A 103 73.476 -2.263 1.563 1.00 0.00 H new ATOM 1657 N GLU A 104 71.633 -5.556 -1.029 1.00 0.00 N ATOM 1658 CA GLU A 104 71.002 -6.708 -1.665 1.00 0.00 C ATOM 1659 C GLU A 104 71.304 -7.984 -0.884 1.00 0.00 C ATOM 1660 O GLU A 104 71.031 -8.005 0.304 1.00 0.00 O ATOM 1661 CB GLU A 104 71.505 -6.854 -3.104 1.00 0.00 C ATOM 1662 CG GLU A 104 70.868 -5.774 -3.987 1.00 0.00 C ATOM 1663 CD GLU A 104 69.493 -6.230 -4.468 1.00 0.00 C ATOM 1664 OE1 GLU A 104 68.807 -6.886 -3.702 1.00 0.00 O1- ATOM 1665 OE2 GLU A 104 69.148 -5.914 -5.595 1.00 0.00 O ATOM 1666 OXT GLU A 104 71.805 -8.919 -1.487 1.00 0.00 O ATOM 0 H GLU A 104 72.393 -5.138 -1.566 1.00 0.00 H new ATOM 0 HA GLU A 104 69.924 -6.548 -1.674 1.00 0.00 H new ATOM 0 HB2 GLU A 104 72.591 -6.765 -3.130 1.00 0.00 H new ATOM 0 HB3 GLU A 104 71.257 -7.844 -3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 104 70.775 -4.844 -3.427 1.00 0.00 H new ATOM 0 HG3 GLU A 104 71.511 -5.568 -4.843 1.00 0.00 H new