USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 857 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 70 GLN : amide:sc= 0.25 K(o=0.41,f=-0.29) USER MOD Set 1.2: A 74 ASN : amide:sc= 0.155 K(o=0.41,f=-1.1) USER MOD Set 2.1: A 43 HIS :FLIP no HD1:sc= 0.304 F(o=-2,f=0.25) USER MOD Set 2.2: A 47 CYS SG : rot 121:sc= -0.0517 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00494 USER MOD Single : A 12 SER OG : rot 91:sc= 1.27 USER MOD Single : A 14 CYS SG : rot 137:sc= 0.052 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 178:sc= -1.32 (180deg=-1.36) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.314) USER MOD Single : A 27 GLN : amide:sc= -0.0106 K(o=-0.011,f=-0.91) USER MOD Single : A 33 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0302) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.259 K(o=-0.26,f=-2.7!) USER MOD Single : A 44 THR OG1 : rot 76:sc= 1.16 USER MOD Single : A 46 GLN : amide:sc= -0.23 K(o=-0.23,f=-3.5!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS :FLIP no HE2:sc= -0.0575 F(o=-0.91,f=-0.058) USER MOD Single : A 56 THR OG1 : rot 82:sc= 1.23 USER MOD Single : A 58 CYS SG : rot 170:sc= -0.14 USER MOD Single : A 60 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0219) USER MOD Single : A 62 TYR OH : rot -95:sc= 0.0505 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.00404 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0.462 K(o=0.46,f=-3.4!) USER MOD Single : A 69 LYS NZ :NH3+ 170:sc= -0.0395 (180deg=-0.17) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -68:sc= 0.905 USER MOD Single : A 81 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.104) USER MOD Single : A 83 THR OG1 : rot 51:sc= 1.13 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.99 X(o=-0.99,f=-1.5) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N LEU A 6 -14.228 -6.798 -3.064 1.00 13.12 N ATOM 60 CA LEU A 6 -13.627 -7.464 -1.922 1.00 4.11 C ATOM 61 C LEU A 6 -14.712 -8.223 -1.171 1.00 45.43 C ATOM 62 O LEU A 6 -15.486 -7.629 -0.423 1.00 60.30 O ATOM 63 CB LEU A 6 -12.826 -6.496 -1.033 1.00 72.24 C ATOM 64 CG LEU A 6 -11.303 -6.661 -1.091 1.00 35.44 C ATOM 65 CD1 LEU A 6 -10.704 -6.581 -2.497 1.00 4.41 C ATOM 66 CD2 LEU A 6 -10.665 -5.554 -0.261 1.00 61.12 C ATOM 0 HA LEU A 6 -12.886 -8.184 -2.270 1.00 4.11 H new ATOM 0 HB2 LEU A 6 -13.075 -5.474 -1.320 1.00 72.24 H new ATOM 0 HB3 LEU A 6 -13.150 -6.625 -0.000 1.00 72.24 H new ATOM 0 HG LEU A 6 -11.096 -7.662 -0.712 1.00 35.44 H new ATOM 0 HD11 LEU A 6 -9.623 -6.708 -2.440 1.00 4.41 H new ATOM 0 HD12 LEU A 6 -11.130 -7.368 -3.119 1.00 4.41 H new ATOM 0 HD13 LEU A 6 -10.932 -5.609 -2.935 1.00 4.41 H new ATOM 0 HD21 LEU A 6 -9.580 -5.656 -0.291 1.00 61.12 H new ATOM 0 HD22 LEU A 6 -10.950 -4.584 -0.668 1.00 61.12 H new ATOM 0 HD23 LEU A 6 -11.008 -5.629 0.771 1.00 61.12 H new ATOM 78 N ASP A 7 -14.739 -9.543 -1.364 1.00 75.13 N ATOM 79 CA ASP A 7 -15.610 -10.454 -0.622 1.00 1.34 C ATOM 80 C ASP A 7 -15.528 -10.173 0.869 1.00 50.11 C ATOM 81 O ASP A 7 -14.480 -9.785 1.371 1.00 25.20 O ATOM 82 CB ASP A 7 -15.131 -11.892 -0.785 1.00 22.15 C ATOM 83 CG ASP A 7 -16.033 -12.919 -0.119 1.00 51.25 C ATOM 84 OD1 ASP A 7 -17.139 -13.191 -0.645 1.00 12.54 O ATOM 85 OD2 ASP A 7 -15.624 -13.457 0.935 1.00 3.35 O1- ATOM 0 H ASP A 7 -14.149 -10.015 -2.049 1.00 75.13 H new ATOM 0 HA ASP A 7 -16.620 -10.312 -1.007 1.00 1.34 H new ATOM 0 HB2 ASP A 7 -15.057 -12.122 -1.848 1.00 22.15 H new ATOM 0 HB3 ASP A 7 -14.127 -11.980 -0.369 1.00 22.15 H new ATOM 90 N GLN A 8 -16.584 -10.505 1.587 1.00 35.03 N ATOM 91 CA GLN A 8 -16.764 -10.272 3.007 1.00 31.00 C ATOM 92 C GLN A 8 -15.571 -10.761 3.832 1.00 15.44 C ATOM 93 O GLN A 8 -15.116 -10.049 4.735 1.00 42.40 O ATOM 94 CB GLN A 8 -18.067 -10.975 3.382 1.00 11.40 C ATOM 95 CG GLN A 8 -18.523 -10.751 4.828 1.00 73.15 C ATOM 96 CD GLN A 8 -20.019 -11.030 4.953 1.00 5.35 C ATOM 97 OE1 GLN A 8 -20.836 -10.173 4.613 1.00 73.41 O ATOM 98 NE2 GLN A 8 -20.404 -12.207 5.417 1.00 23.44 N ATOM 0 H GLN A 8 -17.388 -10.973 1.169 1.00 35.03 H new ATOM 0 HA GLN A 8 -16.821 -9.206 3.228 1.00 31.00 H new ATOM 0 HB2 GLN A 8 -18.854 -10.633 2.710 1.00 11.40 H new ATOM 0 HB3 GLN A 8 -17.947 -12.045 3.215 1.00 11.40 H new ATOM 0 HG2 GLN A 8 -17.966 -11.404 5.499 1.00 73.15 H new ATOM 0 HG3 GLN A 8 -18.309 -9.726 5.131 1.00 73.15 H new ATOM 0 HE21 GLN A 8 -19.707 -12.900 5.692 1.00 23.44 H new ATOM 0 HE22 GLN A 8 -21.398 -12.422 5.500 1.00 23.44 H new ATOM 107 N LYS A 9 -15.044 -11.956 3.542 1.00 54.03 N ATOM 108 CA LYS A 9 -13.884 -12.457 4.265 1.00 31.31 C ATOM 109 C LYS A 9 -12.639 -11.658 3.870 1.00 71.23 C ATOM 110 O LYS A 9 -11.941 -11.175 4.760 1.00 2.24 O ATOM 111 CB LYS A 9 -13.716 -13.965 4.034 1.00 54.31 C ATOM 112 CG LYS A 9 -13.058 -14.613 5.255 1.00 72.00 C ATOM 113 CD LYS A 9 -12.541 -16.020 4.937 1.00 23.34 C ATOM 114 CE LYS A 9 -11.794 -16.603 6.141 1.00 1.24 C ATOM 115 NZ LYS A 9 -10.777 -17.597 5.734 1.00 21.22 N1+ ATOM 0 H LYS A 9 -15.401 -12.582 2.820 1.00 54.03 H new ATOM 0 HA LYS A 9 -14.033 -12.319 5.336 1.00 31.31 H new ATOM 0 HB2 LYS A 9 -14.688 -14.423 3.849 1.00 54.31 H new ATOM 0 HB3 LYS A 9 -13.107 -14.140 3.147 1.00 54.31 H new ATOM 0 HG2 LYS A 9 -12.232 -13.990 5.597 1.00 72.00 H new ATOM 0 HG3 LYS A 9 -13.778 -14.665 6.072 1.00 72.00 H new ATOM 0 HD2 LYS A 9 -13.375 -16.669 4.671 1.00 23.34 H new ATOM 0 HD3 LYS A 9 -11.877 -15.983 4.073 1.00 23.34 H new ATOM 0 HE2 LYS A 9 -11.312 -15.797 6.694 1.00 1.24 H new ATOM 0 HE3 LYS A 9 -12.508 -17.071 6.818 1.00 1.24 H new ATOM 0 HZ1 LYS A 9 -10.295 -17.966 6.578 1.00 21.22 H new ATOM 0 HZ2 LYS A 9 -11.239 -18.380 5.229 1.00 21.22 H new ATOM 0 HZ3 LYS A 9 -10.080 -17.145 5.108 1.00 21.22 H new ATOM 129 N THR A 10 -12.372 -11.475 2.571 1.00 74.25 N ATOM 130 CA THR A 10 -11.237 -10.695 2.080 1.00 13.54 C ATOM 131 C THR A 10 -11.231 -9.288 2.698 1.00 52.52 C ATOM 132 O THR A 10 -10.193 -8.832 3.178 1.00 61.23 O ATOM 133 CB THR A 10 -11.277 -10.622 0.538 1.00 0.01 C ATOM 134 OG1 THR A 10 -11.546 -11.879 -0.058 1.00 34.44 O ATOM 135 CG2 THR A 10 -9.947 -10.129 -0.040 1.00 21.15 C ATOM 0 H THR A 10 -12.946 -11.870 1.826 1.00 74.25 H new ATOM 0 HA THR A 10 -10.314 -11.191 2.381 1.00 13.54 H new ATOM 0 HB THR A 10 -12.081 -9.923 0.309 1.00 0.01 H new ATOM 0 HG1 THR A 10 -11.563 -11.782 -1.033 1.00 34.44 H new ATOM 0 HG21 THR A 10 -10.015 -10.091 -1.127 1.00 21.15 H new ATOM 0 HG22 THR A 10 -9.730 -9.133 0.345 1.00 21.15 H new ATOM 0 HG23 THR A 10 -9.149 -10.812 0.250 1.00 21.15 H new ATOM 143 N PHE A 11 -12.384 -8.618 2.682 1.00 2.31 N ATOM 144 CA PHE A 11 -12.664 -7.279 3.182 1.00 54.43 C ATOM 145 C PHE A 11 -12.361 -7.176 4.680 1.00 2.41 C ATOM 146 O PHE A 11 -11.745 -6.216 5.137 1.00 32.02 O ATOM 147 CB PHE A 11 -14.139 -6.973 2.869 1.00 25.32 C ATOM 148 CG PHE A 11 -14.550 -5.517 2.917 1.00 64.11 C ATOM 149 CD1 PHE A 11 -14.064 -4.605 1.957 1.00 32.05 C ATOM 150 CD2 PHE A 11 -15.517 -5.096 3.845 1.00 71.24 C ATOM 151 CE1 PHE A 11 -14.501 -3.270 1.965 1.00 20.31 C ATOM 152 CE2 PHE A 11 -15.966 -3.764 3.838 1.00 72.32 C ATOM 153 CZ PHE A 11 -15.450 -2.851 2.908 1.00 65.24 C ATOM 0 H PHE A 11 -13.220 -9.042 2.281 1.00 2.31 H new ATOM 0 HA PHE A 11 -12.023 -6.543 2.696 1.00 54.43 H new ATOM 0 HB2 PHE A 11 -14.364 -7.359 1.875 1.00 25.32 H new ATOM 0 HB3 PHE A 11 -14.760 -7.526 3.574 1.00 25.32 H new ATOM 0 HD1 PHE A 11 -13.353 -4.934 1.213 1.00 32.05 H new ATOM 0 HD2 PHE A 11 -15.916 -5.796 4.564 1.00 71.24 H new ATOM 0 HE1 PHE A 11 -14.107 -2.567 1.246 1.00 20.31 H new ATOM 0 HE2 PHE A 11 -16.711 -3.443 4.551 1.00 72.32 H new ATOM 0 HZ PHE A 11 -15.784 -1.824 2.918 1.00 65.24 H new ATOM 163 N SER A 12 -12.748 -8.195 5.447 1.00 52.41 N ATOM 164 CA SER A 12 -12.424 -8.270 6.864 1.00 3.30 C ATOM 165 C SER A 12 -10.907 -8.424 7.073 1.00 51.11 C ATOM 166 O SER A 12 -10.317 -7.724 7.896 1.00 3.04 O ATOM 167 CB SER A 12 -13.218 -9.413 7.507 1.00 34.53 C ATOM 168 OG SER A 12 -14.611 -9.298 7.236 1.00 33.32 O ATOM 0 H SER A 12 -13.292 -8.986 5.102 1.00 52.41 H new ATOM 0 HA SER A 12 -12.711 -7.340 7.354 1.00 3.30 H new ATOM 0 HB2 SER A 12 -12.851 -10.368 7.132 1.00 34.53 H new ATOM 0 HB3 SER A 12 -13.054 -9.410 8.585 1.00 34.53 H new ATOM 0 HG SER A 12 -14.826 -9.789 6.416 1.00 33.32 H new ATOM 174 N ILE A 13 -10.262 -9.324 6.323 1.00 45.32 N ATOM 175 CA ILE A 13 -8.852 -9.657 6.501 1.00 14.50 C ATOM 176 C ILE A 13 -7.965 -8.459 6.146 1.00 34.12 C ATOM 177 O ILE A 13 -7.058 -8.157 6.917 1.00 34.35 O ATOM 178 CB ILE A 13 -8.500 -10.943 5.725 1.00 15.23 C ATOM 179 CG1 ILE A 13 -9.217 -12.156 6.366 1.00 24.34 C ATOM 180 CG2 ILE A 13 -6.980 -11.206 5.693 1.00 52.31 C ATOM 181 CD1 ILE A 13 -9.333 -13.351 5.418 1.00 3.22 C ATOM 0 H ILE A 13 -10.712 -9.844 5.570 1.00 45.32 H new ATOM 0 HA ILE A 13 -8.657 -9.873 7.551 1.00 14.50 H new ATOM 0 HB ILE A 13 -8.837 -10.805 4.698 1.00 15.23 H new ATOM 0 HG12 ILE A 13 -8.674 -12.461 7.261 1.00 24.34 H new ATOM 0 HG13 ILE A 13 -10.215 -11.854 6.685 1.00 24.34 H new ATOM 0 HG21 ILE A 13 -6.781 -12.122 5.136 1.00 52.31 H new ATOM 0 HG22 ILE A 13 -6.476 -10.370 5.208 1.00 52.31 H new ATOM 0 HG23 ILE A 13 -6.608 -11.313 6.712 1.00 52.31 H new ATOM 0 HD11 ILE A 13 -9.844 -14.169 5.925 1.00 3.22 H new ATOM 0 HD12 ILE A 13 -9.901 -13.060 4.534 1.00 3.22 H new ATOM 0 HD13 ILE A 13 -8.337 -13.676 5.119 1.00 3.22 H new ATOM 193 N CYS A 14 -8.194 -7.748 5.030 1.00 42.43 N ATOM 194 CA CYS A 14 -7.392 -6.554 4.747 1.00 71.02 C ATOM 195 C CYS A 14 -7.488 -5.520 5.866 1.00 75.44 C ATOM 196 O CYS A 14 -6.451 -4.981 6.243 1.00 53.24 O ATOM 197 CB CYS A 14 -7.669 -5.908 3.386 1.00 61.45 C ATOM 198 SG CYS A 14 -9.431 -5.789 3.022 1.00 44.54 S ATOM 0 H CYS A 14 -8.904 -7.971 4.332 1.00 42.43 H new ATOM 0 HA CYS A 14 -6.367 -6.923 4.698 1.00 71.02 H new ATOM 0 HB2 CYS A 14 -7.229 -4.911 3.365 1.00 61.45 H new ATOM 0 HB3 CYS A 14 -7.179 -6.489 2.605 1.00 61.45 H new ATOM 0 HG CYS A 14 -9.691 -4.622 2.511 1.00 44.54 H new ATOM 204 N LYS A 15 -8.678 -5.269 6.426 1.00 61.20 N ATOM 205 CA LYS A 15 -8.827 -4.368 7.570 1.00 71.41 C ATOM 206 C LYS A 15 -7.907 -4.786 8.722 1.00 64.32 C ATOM 207 O LYS A 15 -7.204 -3.932 9.264 1.00 53.44 O ATOM 208 CB LYS A 15 -10.310 -4.274 7.997 1.00 2.12 C ATOM 209 CG LYS A 15 -10.989 -2.975 7.527 1.00 72.43 C ATOM 210 CD LYS A 15 -10.551 -1.764 8.366 1.00 54.23 C ATOM 211 CE LYS A 15 -11.034 -0.416 7.812 1.00 22.04 C ATOM 212 NZ LYS A 15 -10.430 0.705 8.570 1.00 53.52 N1+ ATOM 0 H LYS A 15 -9.553 -5.680 6.102 1.00 61.20 H new ATOM 0 HA LYS A 15 -8.516 -3.367 7.272 1.00 71.41 H new ATOM 0 HB2 LYS A 15 -10.854 -5.128 7.594 1.00 2.12 H new ATOM 0 HB3 LYS A 15 -10.375 -4.339 9.083 1.00 2.12 H new ATOM 0 HG2 LYS A 15 -10.747 -2.797 6.479 1.00 72.43 H new ATOM 0 HG3 LYS A 15 -12.071 -3.088 7.590 1.00 72.43 H new ATOM 0 HD2 LYS A 15 -10.926 -1.884 9.382 1.00 54.23 H new ATOM 0 HD3 LYS A 15 -9.463 -1.752 8.428 1.00 54.23 H new ATOM 0 HE2 LYS A 15 -10.769 -0.334 6.758 1.00 22.04 H new ATOM 0 HE3 LYS A 15 -12.121 -0.360 7.873 1.00 22.04 H new ATOM 0 HZ1 LYS A 15 -10.768 1.609 8.182 1.00 53.52 H new ATOM 0 HZ2 LYS A 15 -10.704 0.635 9.571 1.00 53.52 H new ATOM 0 HZ3 LYS A 15 -9.394 0.660 8.490 1.00 53.52 H new ATOM 226 N GLU A 16 -7.852 -6.079 9.057 1.00 32.01 N ATOM 227 CA GLU A 16 -6.928 -6.591 10.068 1.00 34.41 C ATOM 228 C GLU A 16 -5.461 -6.456 9.635 1.00 35.03 C ATOM 229 O GLU A 16 -4.601 -6.100 10.441 1.00 3.44 O ATOM 230 CB GLU A 16 -7.242 -8.050 10.426 1.00 11.31 C ATOM 231 CG GLU A 16 -8.502 -8.217 11.289 1.00 11.31 C ATOM 232 CD GLU A 16 -8.441 -7.527 12.663 1.00 44.31 C ATOM 233 OE1 GLU A 16 -7.353 -7.154 13.156 1.00 73.22 O ATOM 234 OE2 GLU A 16 -9.525 -7.335 13.261 1.00 55.10 O1- ATOM 0 H GLU A 16 -8.444 -6.795 8.636 1.00 32.01 H new ATOM 0 HA GLU A 16 -7.071 -5.976 10.956 1.00 34.41 H new ATOM 0 HB2 GLU A 16 -7.364 -8.622 9.506 1.00 11.31 H new ATOM 0 HB3 GLU A 16 -6.390 -8.476 10.956 1.00 11.31 H new ATOM 0 HG2 GLU A 16 -9.357 -7.824 10.739 1.00 11.31 H new ATOM 0 HG3 GLU A 16 -8.683 -9.281 11.441 1.00 11.31 H new ATOM 241 N ARG A 17 -5.121 -6.735 8.373 1.00 63.14 N ATOM 242 CA ARG A 17 -3.733 -6.635 7.914 1.00 23.14 C ATOM 243 C ARG A 17 -3.241 -5.189 7.963 1.00 53.13 C ATOM 244 O ARG A 17 -2.085 -4.968 8.315 1.00 22.52 O ATOM 245 CB ARG A 17 -3.551 -7.242 6.514 1.00 51.25 C ATOM 246 CG ARG A 17 -3.722 -8.772 6.399 1.00 12.51 C ATOM 247 CD ARG A 17 -2.803 -9.605 7.308 1.00 23.13 C ATOM 248 NE ARG A 17 -3.365 -9.755 8.658 1.00 4.42 N ATOM 249 CZ ARG A 17 -2.738 -9.686 9.837 1.00 41.23 C ATOM 250 NH1 ARG A 17 -1.414 -9.570 9.932 1.00 10.31 N1+ ATOM 251 NH2 ARG A 17 -3.484 -9.716 10.929 1.00 54.34 N ATOM 0 H ARG A 17 -5.783 -7.030 7.655 1.00 63.14 H new ATOM 0 HA ARG A 17 -3.119 -7.220 8.599 1.00 23.14 H new ATOM 0 HB2 ARG A 17 -4.265 -6.767 5.841 1.00 51.25 H new ATOM 0 HB3 ARG A 17 -2.555 -6.982 6.156 1.00 51.25 H new ATOM 0 HG2 ARG A 17 -4.758 -9.024 6.628 1.00 12.51 H new ATOM 0 HG3 ARG A 17 -3.544 -9.064 5.364 1.00 12.51 H new ATOM 0 HD2 ARG A 17 -2.649 -10.590 6.866 1.00 23.13 H new ATOM 0 HD3 ARG A 17 -1.825 -9.128 7.372 1.00 23.13 H new ATOM 0 HE ARG A 17 -4.368 -9.936 8.701 1.00 4.42 H new ATOM 0 HH11 ARG A 17 -0.844 -9.531 9.087 1.00 10.31 H new ATOM 0 HH12 ARG A 17 -0.971 -9.520 10.849 1.00 10.31 H new ATOM 0 HH21 ARG A 17 -4.498 -9.789 10.852 1.00 54.34 H new ATOM 0 HH22 ARG A 17 -3.045 -9.666 11.848 1.00 54.34 H new ATOM 265 N MET A 18 -4.098 -4.206 7.697 1.00 71.35 N ATOM 266 CA MET A 18 -3.775 -2.780 7.665 1.00 21.12 C ATOM 267 C MET A 18 -3.685 -2.114 9.049 1.00 10.24 C ATOM 268 O MET A 18 -3.616 -0.885 9.118 1.00 60.01 O ATOM 269 CB MET A 18 -4.789 -2.072 6.741 1.00 35.41 C ATOM 270 CG MET A 18 -4.199 -1.813 5.353 1.00 63.51 C ATOM 271 SD MET A 18 -4.031 -3.309 4.361 1.00 62.02 S ATOM 272 CE MET A 18 -2.281 -3.654 4.608 1.00 72.55 C ATOM 0 H MET A 18 -5.080 -4.389 7.489 1.00 71.35 H new ATOM 0 HA MET A 18 -2.765 -2.677 7.267 1.00 21.12 H new ATOM 0 HB2 MET A 18 -5.686 -2.684 6.647 1.00 35.41 H new ATOM 0 HB3 MET A 18 -5.093 -1.127 7.190 1.00 35.41 H new ATOM 0 HG2 MET A 18 -4.833 -1.103 4.823 1.00 63.51 H new ATOM 0 HG3 MET A 18 -3.220 -1.346 5.463 1.00 63.51 H new ATOM 0 HE1 MET A 18 -2.015 -4.574 4.088 1.00 72.55 H new ATOM 0 HE2 MET A 18 -1.688 -2.829 4.213 1.00 72.55 H new ATOM 0 HE3 MET A 18 -2.079 -3.768 5.673 1.00 72.55 H new ATOM 282 N ARG A 19 -3.635 -2.868 10.152 1.00 70.53 N ATOM 283 CA ARG A 19 -3.601 -2.341 11.518 1.00 32.31 C ATOM 284 C ARG A 19 -2.351 -1.487 11.725 1.00 1.35 C ATOM 285 O ARG A 19 -2.476 -0.342 12.164 1.00 33.22 O ATOM 286 CB ARG A 19 -3.641 -3.492 12.543 1.00 55.31 C ATOM 287 CG ARG A 19 -4.906 -3.523 13.403 1.00 70.22 C ATOM 288 CD ARG A 19 -6.156 -3.883 12.601 1.00 11.33 C ATOM 289 NE ARG A 19 -7.240 -4.392 13.459 1.00 22.22 N ATOM 290 CZ ARG A 19 -8.213 -3.714 14.075 1.00 44.22 C ATOM 291 NH1 ARG A 19 -8.343 -2.398 13.897 1.00 3.14 N1+ ATOM 292 NH2 ARG A 19 -9.044 -4.344 14.893 1.00 44.53 N ATOM 0 H ARG A 19 -3.617 -3.887 10.117 1.00 70.53 H new ATOM 0 HA ARG A 19 -4.480 -1.715 11.669 1.00 32.31 H new ATOM 0 HB2 ARG A 19 -3.553 -4.440 12.012 1.00 55.31 H new ATOM 0 HB3 ARG A 19 -2.773 -3.411 13.197 1.00 55.31 H new ATOM 0 HG2 ARG A 19 -4.775 -4.246 14.208 1.00 70.22 H new ATOM 0 HG3 ARG A 19 -5.047 -2.548 13.870 1.00 70.22 H new ATOM 0 HD2 ARG A 19 -6.505 -3.003 12.061 1.00 11.33 H new ATOM 0 HD3 ARG A 19 -5.902 -4.635 11.854 1.00 11.33 H new ATOM 0 HE ARG A 19 -7.249 -5.402 13.603 1.00 22.22 H new ATOM 0 HH11 ARG A 19 -7.696 -1.900 13.286 1.00 3.14 H new ATOM 0 HH12 ARG A 19 -9.089 -1.890 14.372 1.00 3.14 H new ATOM 0 HH21 ARG A 19 -8.941 -5.346 15.052 1.00 44.53 H new ATOM 0 HH22 ARG A 19 -9.787 -3.827 15.363 1.00 44.53 H new ATOM 306 N PRO A 20 -1.148 -1.976 11.371 1.00 55.23 N ATOM 307 CA PRO A 20 0.082 -1.224 11.557 1.00 5.31 C ATOM 308 C PRO A 20 0.184 0.086 10.763 1.00 5.24 C ATOM 309 O PRO A 20 1.066 0.894 11.063 1.00 22.40 O ATOM 310 CB PRO A 20 1.186 -2.196 11.153 1.00 24.21 C ATOM 311 CG PRO A 20 0.529 -3.268 10.309 1.00 41.52 C ATOM 312 CD PRO A 20 -0.807 -3.351 11.013 1.00 62.13 C ATOM 0 HA PRO A 20 0.146 -0.882 12.590 1.00 5.31 H new ATOM 0 HB2 PRO A 20 1.967 -1.684 10.591 1.00 24.21 H new ATOM 0 HB3 PRO A 20 1.660 -2.631 12.033 1.00 24.21 H new ATOM 0 HG2 PRO A 20 0.434 -2.979 9.262 1.00 41.52 H new ATOM 0 HG3 PRO A 20 1.074 -4.212 10.331 1.00 41.52 H new ATOM 0 HD2 PRO A 20 -1.566 -3.787 10.363 1.00 62.13 H new ATOM 0 HD3 PRO A 20 -0.745 -3.983 11.899 1.00 62.13 H new ATOM 320 N VAL A 21 -0.682 0.333 9.775 1.00 53.43 N ATOM 321 CA VAL A 21 -0.543 1.448 8.829 1.00 65.33 C ATOM 322 C VAL A 21 -1.783 2.351 8.766 1.00 34.13 C ATOM 323 O VAL A 21 -1.881 3.192 7.879 1.00 65.24 O ATOM 324 CB VAL A 21 -0.102 0.916 7.445 1.00 4.30 C ATOM 325 CG1 VAL A 21 1.354 0.461 7.512 1.00 52.03 C ATOM 326 CG2 VAL A 21 -0.944 -0.252 6.908 1.00 41.14 C ATOM 0 H VAL A 21 -1.508 -0.241 9.607 1.00 53.43 H new ATOM 0 HA VAL A 21 0.244 2.104 9.201 1.00 65.33 H new ATOM 0 HB VAL A 21 -0.243 1.750 6.757 1.00 4.30 H new ATOM 0 HG11 VAL A 21 1.663 0.086 6.536 1.00 52.03 H new ATOM 0 HG12 VAL A 21 1.986 1.303 7.794 1.00 52.03 H new ATOM 0 HG13 VAL A 21 1.454 -0.332 8.253 1.00 52.03 H new ATOM 0 HG21 VAL A 21 -0.562 -0.558 5.934 1.00 41.14 H new ATOM 0 HG22 VAL A 21 -0.886 -1.091 7.601 1.00 41.14 H new ATOM 0 HG23 VAL A 21 -1.982 0.064 6.807 1.00 41.14 H new ATOM 336 N LYS A 22 -2.730 2.246 9.703 1.00 4.01 N ATOM 337 CA LYS A 22 -3.972 3.031 9.684 1.00 52.15 C ATOM 338 C LYS A 22 -3.724 4.535 9.555 1.00 32.24 C ATOM 339 O LYS A 22 -4.449 5.205 8.818 1.00 35.14 O ATOM 340 CB LYS A 22 -4.796 2.756 10.948 1.00 14.31 C ATOM 341 CG LYS A 22 -5.273 1.304 11.095 1.00 51.24 C ATOM 342 CD LYS A 22 -5.736 1.005 12.524 1.00 4.42 C ATOM 343 CE LYS A 22 -7.086 1.661 12.832 1.00 30.13 C ATOM 344 NZ LYS A 22 -7.303 1.768 14.286 1.00 62.13 N1+ ATOM 0 H LYS A 22 -2.658 1.613 10.499 1.00 4.01 H new ATOM 0 HA LYS A 22 -4.524 2.714 8.799 1.00 52.15 H new ATOM 0 HB2 LYS A 22 -4.198 3.018 11.820 1.00 14.31 H new ATOM 0 HB3 LYS A 22 -5.666 3.413 10.949 1.00 14.31 H new ATOM 0 HG2 LYS A 22 -6.092 1.117 10.400 1.00 51.24 H new ATOM 0 HG3 LYS A 22 -4.464 0.625 10.824 1.00 51.24 H new ATOM 0 HD2 LYS A 22 -5.815 -0.073 12.663 1.00 4.42 H new ATOM 0 HD3 LYS A 22 -4.988 1.363 13.231 1.00 4.42 H new ATOM 0 HE2 LYS A 22 -7.123 2.653 12.381 1.00 30.13 H new ATOM 0 HE3 LYS A 22 -7.889 1.076 12.383 1.00 30.13 H new ATOM 0 HZ1 LYS A 22 -8.224 2.216 14.468 1.00 62.13 H new ATOM 0 HZ2 LYS A 22 -7.290 0.818 14.710 1.00 62.13 H new ATOM 0 HZ3 LYS A 22 -6.548 2.346 14.708 1.00 62.13 H new ATOM 358 N ALA A 23 -2.715 5.069 10.250 1.00 3.10 N ATOM 359 CA ALA A 23 -2.353 6.474 10.111 1.00 60.23 C ATOM 360 C ALA A 23 -1.961 6.775 8.668 1.00 22.25 C ATOM 361 O ALA A 23 -2.502 7.706 8.081 1.00 61.41 O ATOM 362 CB ALA A 23 -1.219 6.850 11.060 1.00 13.54 C ATOM 0 H ALA A 23 -2.139 4.548 10.911 1.00 3.10 H new ATOM 0 HA ALA A 23 -3.223 7.076 10.376 1.00 60.23 H new ATOM 0 HB1 ALA A 23 -0.972 7.904 10.932 1.00 13.54 H new ATOM 0 HB2 ALA A 23 -1.532 6.673 12.089 1.00 13.54 H new ATOM 0 HB3 ALA A 23 -0.342 6.242 10.838 1.00 13.54 H new ATOM 368 N ALA A 24 -1.059 5.970 8.099 1.00 33.30 N ATOM 369 CA ALA A 24 -0.557 6.140 6.743 1.00 54.32 C ATOM 370 C ALA A 24 -1.699 6.098 5.732 1.00 25.33 C ATOM 371 O ALA A 24 -1.751 6.938 4.844 1.00 41.25 O ATOM 372 CB ALA A 24 0.494 5.068 6.428 1.00 1.31 C ATOM 0 H ALA A 24 -0.653 5.168 8.582 1.00 33.30 H new ATOM 0 HA ALA A 24 -0.083 7.119 6.669 1.00 54.32 H new ATOM 0 HB1 ALA A 24 0.861 5.206 5.411 1.00 1.31 H new ATOM 0 HB2 ALA A 24 1.324 5.155 7.129 1.00 1.31 H new ATOM 0 HB3 ALA A 24 0.044 4.079 6.520 1.00 1.31 H new ATOM 378 N LEU A 25 -2.633 5.155 5.891 1.00 62.25 N ATOM 379 CA LEU A 25 -3.809 5.039 5.035 1.00 63.42 C ATOM 380 C LEU A 25 -4.606 6.333 5.078 1.00 64.02 C ATOM 381 O LEU A 25 -4.888 6.905 4.031 1.00 34.33 O ATOM 382 CB LEU A 25 -4.714 3.877 5.464 1.00 1.32 C ATOM 383 CG LEU A 25 -4.059 2.494 5.360 1.00 2.24 C ATOM 384 CD1 LEU A 25 -4.911 1.471 6.109 1.00 2.21 C ATOM 385 CD2 LEU A 25 -3.854 2.034 3.919 1.00 60.44 C ATOM 0 H LEU A 25 -2.590 4.447 6.624 1.00 62.25 H new ATOM 0 HA LEU A 25 -3.460 4.843 4.021 1.00 63.42 H new ATOM 0 HB2 LEU A 25 -5.030 4.040 6.494 1.00 1.32 H new ATOM 0 HB3 LEU A 25 -5.614 3.887 4.849 1.00 1.32 H new ATOM 0 HG LEU A 25 -3.069 2.575 5.809 1.00 2.24 H new ATOM 0 HD11 LEU A 25 -4.447 0.488 6.036 1.00 2.21 H new ATOM 0 HD12 LEU A 25 -4.988 1.759 7.157 1.00 2.21 H new ATOM 0 HD13 LEU A 25 -5.908 1.435 5.669 1.00 2.21 H new ATOM 0 HD21 LEU A 25 -3.387 1.049 3.914 1.00 60.44 H new ATOM 0 HD22 LEU A 25 -4.818 1.981 3.413 1.00 60.44 H new ATOM 0 HD23 LEU A 25 -3.210 2.743 3.399 1.00 60.44 H new ATOM 397 N LYS A 26 -4.979 6.812 6.274 1.00 54.00 N ATOM 398 CA LYS A 26 -5.731 8.049 6.359 1.00 74.52 C ATOM 399 C LYS A 26 -4.927 9.219 5.799 1.00 13.22 C ATOM 400 O LYS A 26 -5.511 10.101 5.192 1.00 65.43 O ATOM 401 CB LYS A 26 -6.186 8.354 7.787 1.00 21.25 C ATOM 402 CG LYS A 26 -7.266 7.412 8.334 1.00 45.03 C ATOM 403 CD LYS A 26 -8.291 8.133 9.234 1.00 54.44 C ATOM 404 CE LYS A 26 -7.744 8.803 10.509 1.00 30.32 C ATOM 405 NZ LYS A 26 -7.312 10.207 10.308 1.00 3.34 N1+ ATOM 0 H LYS A 26 -4.774 6.367 7.169 1.00 54.00 H new ATOM 0 HA LYS A 26 -6.626 7.914 5.751 1.00 74.52 H new ATOM 0 HB2 LYS A 26 -5.319 8.311 8.446 1.00 21.25 H new ATOM 0 HB3 LYS A 26 -6.563 9.376 7.822 1.00 21.25 H new ATOM 0 HG2 LYS A 26 -7.788 6.943 7.500 1.00 45.03 H new ATOM 0 HG3 LYS A 26 -6.790 6.613 8.902 1.00 45.03 H new ATOM 0 HD2 LYS A 26 -8.791 8.896 8.637 1.00 54.44 H new ATOM 0 HD3 LYS A 26 -9.052 7.410 9.529 1.00 54.44 H new ATOM 0 HE2 LYS A 26 -8.513 8.776 11.281 1.00 30.32 H new ATOM 0 HE3 LYS A 26 -6.899 8.222 10.880 1.00 30.32 H new ATOM 0 HZ1 LYS A 26 -7.215 10.676 11.231 1.00 3.34 H new ATOM 0 HZ2 LYS A 26 -6.397 10.221 9.815 1.00 3.34 H new ATOM 0 HZ3 LYS A 26 -8.021 10.710 9.737 1.00 3.34 H new ATOM 419 N GLN A 27 -3.616 9.279 6.030 1.00 44.31 N ATOM 420 CA GLN A 27 -2.764 10.340 5.488 1.00 45.20 C ATOM 421 C GLN A 27 -2.809 10.360 3.957 1.00 75.11 C ATOM 422 O GLN A 27 -2.800 11.443 3.373 1.00 3.23 O ATOM 423 CB GLN A 27 -1.313 10.195 5.983 1.00 63.33 C ATOM 424 CG GLN A 27 -1.104 10.592 7.456 1.00 62.13 C ATOM 425 CD GLN A 27 -0.933 12.095 7.701 1.00 71.01 C ATOM 426 OE1 GLN A 27 -0.488 12.849 6.842 1.00 33.44 O ATOM 427 NE2 GLN A 27 -1.290 12.568 8.885 1.00 1.20 N ATOM 0 H GLN A 27 -3.114 8.595 6.597 1.00 44.31 H new ATOM 0 HA GLN A 27 -3.155 11.290 5.851 1.00 45.20 H new ATOM 0 HB2 GLN A 27 -0.997 9.160 5.849 1.00 63.33 H new ATOM 0 HB3 GLN A 27 -0.665 10.809 5.358 1.00 63.33 H new ATOM 0 HG2 GLN A 27 -1.956 10.239 8.037 1.00 62.13 H new ATOM 0 HG3 GLN A 27 -0.223 10.074 7.835 1.00 62.13 H new ATOM 0 HE21 GLN A 27 -1.660 11.937 9.596 1.00 1.20 H new ATOM 0 HE22 GLN A 27 -1.196 13.564 9.086 1.00 1.20 H new ATOM 436 N LEU A 28 -2.882 9.194 3.310 1.00 32.11 N ATOM 437 CA LEU A 28 -2.961 9.054 1.858 1.00 1.43 C ATOM 438 C LEU A 28 -4.346 9.414 1.291 1.00 13.42 C ATOM 439 O LEU A 28 -4.526 9.363 0.073 1.00 2.11 O ATOM 440 CB LEU A 28 -2.522 7.629 1.451 1.00 33.02 C ATOM 441 CG LEU A 28 -1.082 7.501 0.915 1.00 3.21 C ATOM 442 CD1 LEU A 28 -0.899 8.198 -0.441 1.00 34.30 C ATOM 443 CD2 LEU A 28 -0.028 8.011 1.906 1.00 62.12 C ATOM 0 H LEU A 28 -2.888 8.298 3.797 1.00 32.11 H new ATOM 0 HA LEU A 28 -2.275 9.777 1.416 1.00 1.43 H new ATOM 0 HB2 LEU A 28 -2.627 6.975 2.317 1.00 33.02 H new ATOM 0 HB3 LEU A 28 -3.208 7.261 0.688 1.00 33.02 H new ATOM 0 HG LEU A 28 -0.925 6.431 0.779 1.00 3.21 H new ATOM 0 HD11 LEU A 28 0.132 8.079 -0.775 1.00 34.30 H new ATOM 0 HD12 LEU A 28 -1.572 7.752 -1.173 1.00 34.30 H new ATOM 0 HD13 LEU A 28 -1.127 9.259 -0.338 1.00 34.30 H new ATOM 0 HD21 LEU A 28 0.965 7.895 1.473 1.00 62.12 H new ATOM 0 HD22 LEU A 28 -0.210 9.064 2.120 1.00 62.12 H new ATOM 0 HD23 LEU A 28 -0.090 7.437 2.830 1.00 62.12 H new ATOM 455 N ASP A 29 -5.309 9.818 2.123 1.00 4.35 N ATOM 456 CA ASP A 29 -6.634 10.301 1.729 1.00 23.20 C ATOM 457 C ASP A 29 -6.878 11.662 2.373 1.00 70.54 C ATOM 458 O ASP A 29 -6.730 12.698 1.724 1.00 54.23 O ATOM 459 CB ASP A 29 -7.703 9.268 2.124 1.00 44.14 C ATOM 460 CG ASP A 29 -9.158 9.722 1.964 1.00 22.52 C ATOM 461 OD1 ASP A 29 -9.446 10.821 1.450 1.00 31.42 O1- ATOM 462 OD2 ASP A 29 -10.059 8.970 2.408 1.00 42.44 O ATOM 0 H ASP A 29 -5.180 9.817 3.135 1.00 4.35 H new ATOM 0 HA ASP A 29 -6.691 10.426 0.648 1.00 23.20 H new ATOM 0 HB2 ASP A 29 -7.554 8.371 1.524 1.00 44.14 H new ATOM 0 HB3 ASP A 29 -7.542 8.986 3.165 1.00 44.14 H new ATOM 467 N ARG A 30 -7.200 11.660 3.668 1.00 1.15 N ATOM 468 CA ARG A 30 -7.601 12.807 4.462 1.00 60.23 C ATOM 469 C ARG A 30 -6.609 12.916 5.623 1.00 21.12 C ATOM 470 O ARG A 30 -6.864 12.393 6.716 1.00 42.23 O ATOM 471 CB ARG A 30 -9.067 12.626 4.889 1.00 12.30 C ATOM 472 CG ARG A 30 -9.637 13.889 5.540 1.00 32.22 C ATOM 473 CD ARG A 30 -11.117 13.687 5.899 1.00 61.42 C ATOM 474 NE ARG A 30 -11.738 14.920 6.410 1.00 74.33 N ATOM 475 CZ ARG A 30 -12.096 15.990 5.688 1.00 54.25 C ATOM 476 NH1 ARG A 30 -11.939 15.983 4.371 1.00 2.44 N1+ ATOM 477 NH2 ARG A 30 -12.578 17.065 6.307 1.00 42.22 N ATOM 0 H ARG A 30 -7.184 10.801 4.218 1.00 1.15 H new ATOM 0 HA ARG A 30 -7.568 13.748 3.912 1.00 60.23 H new ATOM 0 HB2 ARG A 30 -9.668 12.365 4.018 1.00 12.30 H new ATOM 0 HB3 ARG A 30 -9.140 11.793 5.589 1.00 12.30 H new ATOM 0 HG2 ARG A 30 -9.068 14.131 6.438 1.00 32.22 H new ATOM 0 HG3 ARG A 30 -9.534 14.734 4.860 1.00 32.22 H new ATOM 0 HD2 ARG A 30 -11.660 13.347 5.017 1.00 61.42 H new ATOM 0 HD3 ARG A 30 -11.203 12.901 6.649 1.00 61.42 H new ATOM 0 HE ARG A 30 -11.913 14.964 7.414 1.00 74.33 H new ATOM 0 HH11 ARG A 30 -11.546 15.163 3.909 1.00 2.44 H new ATOM 0 HH12 ARG A 30 -12.211 16.797 3.821 1.00 2.44 H new ATOM 0 HH21 ARG A 30 -12.672 17.069 7.323 1.00 42.22 H new ATOM 0 HH22 ARG A 30 -12.853 17.885 5.766 1.00 42.22 H new ATOM 491 N PRO A 31 -5.443 13.546 5.418 1.00 42.22 N ATOM 492 CA PRO A 31 -4.461 13.751 6.471 1.00 54.35 C ATOM 493 C PRO A 31 -4.985 14.773 7.488 1.00 4.11 C ATOM 494 O PRO A 31 -6.069 15.341 7.311 1.00 74.21 O ATOM 495 CB PRO A 31 -3.219 14.235 5.742 1.00 32.13 C ATOM 496 CG PRO A 31 -3.806 15.053 4.595 1.00 42.02 C ATOM 497 CD PRO A 31 -5.016 14.215 4.200 1.00 44.54 C ATOM 0 HA PRO A 31 -4.248 12.851 7.048 1.00 54.35 H new ATOM 0 HB2 PRO A 31 -2.580 14.840 6.386 1.00 32.13 H new ATOM 0 HB3 PRO A 31 -2.612 13.405 5.380 1.00 32.13 H new ATOM 0 HG2 PRO A 31 -4.090 16.056 4.912 1.00 42.02 H new ATOM 0 HG3 PRO A 31 -3.101 15.166 3.771 1.00 42.02 H new ATOM 0 HD2 PRO A 31 -5.812 14.841 3.797 1.00 44.54 H new ATOM 0 HD3 PRO A 31 -4.757 13.492 3.426 1.00 44.54 H new ATOM 505 N GLU A 32 -4.243 15.003 8.572 1.00 1.13 N ATOM 506 CA GLU A 32 -4.694 15.850 9.686 1.00 30.44 C ATOM 507 C GLU A 32 -4.070 17.250 9.664 1.00 4.33 C ATOM 508 O GLU A 32 -4.445 18.100 10.468 1.00 30.13 O ATOM 509 CB GLU A 32 -4.559 15.107 11.027 1.00 33.11 C ATOM 510 CG GLU A 32 -3.113 14.894 11.514 1.00 14.44 C ATOM 511 CD GLU A 32 -3.024 13.924 12.698 1.00 31.31 C ATOM 512 OE1 GLU A 32 -3.829 12.961 12.780 1.00 41.22 O ATOM 513 OE2 GLU A 32 -2.068 14.029 13.502 1.00 23.13 O1- ATOM 0 H GLU A 32 -3.312 14.609 8.706 1.00 1.13 H new ATOM 0 HA GLU A 32 -5.759 16.043 9.554 1.00 30.44 H new ATOM 0 HB2 GLU A 32 -5.104 15.663 11.789 1.00 33.11 H new ATOM 0 HB3 GLU A 32 -5.042 14.134 10.936 1.00 33.11 H new ATOM 0 HG2 GLU A 32 -2.509 14.512 10.691 1.00 14.44 H new ATOM 0 HG3 GLU A 32 -2.686 15.854 11.804 1.00 14.44 H new ATOM 520 N LYS A 33 -3.193 17.508 8.688 1.00 52.24 N ATOM 521 CA LYS A 33 -2.615 18.798 8.324 1.00 32.14 C ATOM 522 C LYS A 33 -2.149 19.611 9.530 1.00 2.41 C ATOM 523 O LYS A 33 -2.377 20.819 9.586 1.00 0.40 O ATOM 524 CB LYS A 33 -3.553 19.555 7.358 1.00 62.42 C ATOM 525 CG LYS A 33 -2.720 20.479 6.457 1.00 63.41 C ATOM 526 CD LYS A 33 -3.549 21.242 5.415 1.00 51.51 C ATOM 527 CE LYS A 33 -2.659 21.834 4.309 1.00 43.22 C ATOM 528 NZ LYS A 33 -1.552 22.672 4.827 1.00 43.21 N1+ ATOM 0 H LYS A 33 -2.845 16.760 8.088 1.00 52.24 H new ATOM 0 HA LYS A 33 -1.691 18.614 7.776 1.00 32.14 H new ATOM 0 HB2 LYS A 33 -4.115 18.846 6.750 1.00 62.42 H new ATOM 0 HB3 LYS A 33 -4.280 20.138 7.922 1.00 62.42 H new ATOM 0 HG2 LYS A 33 -2.189 21.197 7.082 1.00 63.41 H new ATOM 0 HG3 LYS A 33 -1.965 19.885 5.942 1.00 63.41 H new ATOM 0 HD2 LYS A 33 -4.284 20.571 4.971 1.00 51.51 H new ATOM 0 HD3 LYS A 33 -4.103 22.043 5.905 1.00 51.51 H new ATOM 0 HE2 LYS A 33 -2.242 21.021 3.715 1.00 43.22 H new ATOM 0 HE3 LYS A 33 -3.276 22.434 3.639 1.00 43.22 H new ATOM 0 HZ1 LYS A 33 -1.087 23.160 4.035 1.00 43.21 H new ATOM 0 HZ2 LYS A 33 -1.931 23.375 5.493 1.00 43.21 H new ATOM 0 HZ3 LYS A 33 -0.860 22.069 5.317 1.00 43.21 H new ATOM 542 N GLY A 34 -1.486 18.963 10.481 1.00 62.23 N ATOM 543 CA GLY A 34 -0.852 19.616 11.611 1.00 43.33 C ATOM 544 C GLY A 34 0.652 19.773 11.418 1.00 1.12 C ATOM 545 O GLY A 34 1.300 20.464 12.204 1.00 35.04 O ATOM 0 H GLY A 34 -1.374 17.949 10.485 1.00 62.23 H new ATOM 0 HA2 GLY A 34 -1.302 20.598 11.760 1.00 43.33 H new ATOM 0 HA3 GLY A 34 -1.042 19.038 12.515 1.00 43.33 H new ATOM 549 N LEU A 35 1.229 19.172 10.371 1.00 20.30 N ATOM 550 CA LEU A 35 2.637 19.261 10.086 1.00 75.01 C ATOM 551 C LEU A 35 2.879 20.595 9.391 1.00 50.32 C ATOM 552 O LEU A 35 1.959 21.321 8.998 1.00 62.14 O ATOM 553 CB LEU A 35 3.069 18.127 9.123 1.00 30.55 C ATOM 554 CG LEU A 35 2.461 16.730 9.323 1.00 75.10 C ATOM 555 CD1 LEU A 35 2.948 15.811 8.204 1.00 74.41 C ATOM 556 CD2 LEU A 35 2.808 16.115 10.680 1.00 10.10 C ATOM 0 H LEU A 35 0.711 18.607 9.698 1.00 20.30 H new ATOM 0 HA LEU A 35 3.206 19.175 11.012 1.00 75.01 H new ATOM 0 HB2 LEU A 35 2.838 18.448 8.107 1.00 30.55 H new ATOM 0 HB3 LEU A 35 4.153 18.030 9.188 1.00 30.55 H new ATOM 0 HG LEU A 35 1.377 16.839 9.295 1.00 75.10 H new ATOM 0 HD11 LEU A 35 2.521 14.817 8.338 1.00 74.41 H new ATOM 0 HD12 LEU A 35 2.635 16.213 7.241 1.00 74.41 H new ATOM 0 HD13 LEU A 35 4.036 15.746 8.234 1.00 74.41 H new ATOM 0 HD21 LEU A 35 2.350 15.129 10.761 1.00 10.10 H new ATOM 0 HD22 LEU A 35 3.890 16.021 10.771 1.00 10.10 H new ATOM 0 HD23 LEU A 35 2.432 16.756 11.477 1.00 10.10 H new ATOM 568 N SER A 36 4.135 20.771 9.037 1.00 13.30 N ATOM 569 CA SER A 36 4.640 21.773 8.144 1.00 21.20 C ATOM 570 C SER A 36 4.285 21.399 6.708 1.00 65.31 C ATOM 571 O SER A 36 3.986 20.245 6.404 1.00 60.15 O ATOM 572 CB SER A 36 6.149 21.926 8.338 1.00 50.44 C ATOM 573 OG SER A 36 6.632 23.123 7.758 1.00 62.23 O ATOM 0 H SER A 36 4.877 20.170 9.396 1.00 13.30 H new ATOM 0 HA SER A 36 4.181 22.737 8.363 1.00 21.20 H new ATOM 0 HB2 SER A 36 6.382 21.918 9.403 1.00 50.44 H new ATOM 0 HB3 SER A 36 6.662 21.073 7.893 1.00 50.44 H new ATOM 0 HG SER A 36 7.599 23.189 7.902 1.00 62.23 H new ATOM 579 N GLU A 37 4.391 22.365 5.804 1.00 43.12 N ATOM 580 CA GLU A 37 4.025 22.218 4.412 1.00 23.33 C ATOM 581 C GLU A 37 5.033 21.323 3.700 1.00 0.42 C ATOM 582 O GLU A 37 4.648 20.391 2.995 1.00 53.05 O ATOM 583 CB GLU A 37 3.984 23.598 3.770 1.00 4.24 C ATOM 584 CG GLU A 37 2.732 24.372 4.188 1.00 51.34 C ATOM 585 CD GLU A 37 2.522 25.557 3.256 1.00 10.03 C ATOM 586 OE1 GLU A 37 3.345 26.498 3.278 1.00 20.55 O ATOM 587 OE2 GLU A 37 1.529 25.518 2.496 1.00 32.52 O1- ATOM 0 H GLU A 37 4.744 23.295 6.031 1.00 43.12 H new ATOM 0 HA GLU A 37 3.043 21.752 4.331 1.00 23.33 H new ATOM 0 HB2 GLU A 37 4.873 24.160 4.055 1.00 4.24 H new ATOM 0 HB3 GLU A 37 4.006 23.497 2.685 1.00 4.24 H new ATOM 0 HG2 GLU A 37 1.862 23.716 4.159 1.00 51.34 H new ATOM 0 HG3 GLU A 37 2.835 24.720 5.216 1.00 51.34 H new ATOM 594 N ARG A 38 6.330 21.576 3.906 1.00 21.15 N ATOM 595 CA ARG A 38 7.398 20.739 3.363 1.00 61.30 C ATOM 596 C ARG A 38 7.278 19.317 3.904 1.00 25.54 C ATOM 597 O ARG A 38 7.682 18.353 3.254 1.00 2.34 O ATOM 598 CB ARG A 38 8.753 21.368 3.717 1.00 12.35 C ATOM 599 CG ARG A 38 9.883 20.721 2.910 1.00 63.40 C ATOM 600 CD ARG A 38 11.273 21.147 3.389 1.00 71.42 C ATOM 601 NE ARG A 38 11.830 22.206 2.543 1.00 64.41 N ATOM 602 CZ ARG A 38 12.467 22.017 1.384 1.00 71.50 C ATOM 603 NH1 ARG A 38 12.596 20.795 0.867 1.00 14.30 N1+ ATOM 604 NH2 ARG A 38 12.963 23.073 0.751 1.00 51.23 N ATOM 0 H ARG A 38 6.666 22.368 4.454 1.00 21.15 H new ATOM 0 HA ARG A 38 7.315 20.682 2.278 1.00 61.30 H new ATOM 0 HB2 ARG A 38 8.725 22.439 3.517 1.00 12.35 H new ATOM 0 HB3 ARG A 38 8.947 21.248 4.783 1.00 12.35 H new ATOM 0 HG2 ARG A 38 9.797 19.637 2.978 1.00 63.40 H new ATOM 0 HG3 ARG A 38 9.769 20.985 1.858 1.00 63.40 H new ATOM 0 HD2 ARG A 38 11.213 21.497 4.420 1.00 71.42 H new ATOM 0 HD3 ARG A 38 11.941 20.286 3.383 1.00 71.42 H new ATOM 0 HE ARG A 38 11.722 23.168 2.866 1.00 64.41 H new ATOM 0 HH11 ARG A 38 12.206 19.990 1.357 1.00 14.30 H new ATOM 0 HH12 ARG A 38 13.085 20.665 -0.019 1.00 14.30 H new ATOM 0 HH21 ARG A 38 12.854 24.005 1.151 1.00 51.23 H new ATOM 0 HH22 ARG A 38 13.453 22.952 -0.135 1.00 51.23 H new ATOM 618 N GLU A 39 6.721 19.170 5.101 1.00 34.32 N ATOM 619 CA GLU A 39 6.596 17.875 5.730 1.00 22.23 C ATOM 620 C GLU A 39 5.470 17.069 5.126 1.00 4.10 C ATOM 621 O GLU A 39 5.635 15.863 5.062 1.00 34.05 O ATOM 622 CB GLU A 39 6.463 18.015 7.248 1.00 71.25 C ATOM 623 CG GLU A 39 7.733 18.610 7.863 1.00 31.04 C ATOM 624 CD GLU A 39 8.893 17.601 7.894 1.00 75.22 C ATOM 625 OE1 GLU A 39 9.348 17.105 6.831 1.00 73.33 O ATOM 626 OE2 GLU A 39 9.318 17.242 9.009 1.00 14.54 O1- ATOM 0 H GLU A 39 6.348 19.943 5.653 1.00 34.32 H new ATOM 0 HA GLU A 39 7.512 17.317 5.537 1.00 22.23 H new ATOM 0 HB2 GLU A 39 5.609 18.651 7.484 1.00 71.25 H new ATOM 0 HB3 GLU A 39 6.265 17.038 7.690 1.00 71.25 H new ATOM 0 HG2 GLU A 39 8.033 19.489 7.292 1.00 31.04 H new ATOM 0 HG3 GLU A 39 7.520 18.947 8.878 1.00 31.04 H new ATOM 633 N GLN A 40 4.409 17.685 4.592 1.00 75.44 N ATOM 634 CA GLN A 40 3.347 16.968 3.878 1.00 33.21 C ATOM 635 C GLN A 40 3.954 16.051 2.807 1.00 45.12 C ATOM 636 O GLN A 40 3.570 14.889 2.650 1.00 73.12 O ATOM 637 CB GLN A 40 2.392 17.932 3.152 1.00 44.22 C ATOM 638 CG GLN A 40 1.915 19.195 3.880 1.00 34.02 C ATOM 639 CD GLN A 40 0.648 18.968 4.668 1.00 3.44 C ATOM 640 OE1 GLN A 40 -0.426 19.307 4.188 1.00 24.20 O ATOM 641 NE2 GLN A 40 0.734 18.374 5.846 1.00 2.34 N ATOM 0 H GLN A 40 4.263 18.693 4.643 1.00 75.44 H new ATOM 0 HA GLN A 40 2.799 16.399 4.629 1.00 33.21 H new ATOM 0 HB2 GLN A 40 2.881 18.248 2.231 1.00 44.22 H new ATOM 0 HB3 GLN A 40 1.507 17.364 2.864 1.00 44.22 H new ATOM 0 HG2 GLN A 40 2.700 19.540 4.553 1.00 34.02 H new ATOM 0 HG3 GLN A 40 1.748 19.988 3.152 1.00 34.02 H new ATOM 0 HE21 GLN A 40 1.646 18.105 6.216 1.00 2.34 H new ATOM 0 HE22 GLN A 40 -0.111 18.185 6.385 1.00 2.34 H new ATOM 650 N LEU A 41 4.909 16.616 2.062 1.00 41.12 N ATOM 651 CA LEU A 41 5.563 16.010 0.924 1.00 15.34 C ATOM 652 C LEU A 41 6.235 14.720 1.379 1.00 23.34 C ATOM 653 O LEU A 41 5.920 13.643 0.877 1.00 52.42 O ATOM 654 CB LEU A 41 6.560 17.023 0.312 1.00 21.03 C ATOM 655 CG LEU A 41 6.646 17.015 -1.222 1.00 0.11 C ATOM 656 CD1 LEU A 41 6.959 15.629 -1.788 1.00 22.31 C ATOM 657 CD2 LEU A 41 5.364 17.574 -1.855 1.00 65.33 C ATOM 0 H LEU A 41 5.256 17.555 2.255 1.00 41.12 H new ATOM 0 HA LEU A 41 4.847 15.753 0.143 1.00 15.34 H new ATOM 0 HB2 LEU A 41 6.281 18.025 0.639 1.00 21.03 H new ATOM 0 HB3 LEU A 41 7.552 16.821 0.716 1.00 21.03 H new ATOM 0 HG LEU A 41 7.479 17.667 -1.484 1.00 0.11 H new ATOM 0 HD11 LEU A 41 7.008 15.683 -2.876 1.00 22.31 H new ATOM 0 HD12 LEU A 41 7.917 15.285 -1.398 1.00 22.31 H new ATOM 0 HD13 LEU A 41 6.176 14.931 -1.494 1.00 22.31 H new ATOM 0 HD21 LEU A 41 5.456 17.555 -2.941 1.00 65.33 H new ATOM 0 HD22 LEU A 41 4.513 16.964 -1.552 1.00 65.33 H new ATOM 0 HD23 LEU A 41 5.211 18.601 -1.522 1.00 65.33 H new ATOM 669 N GLU A 42 7.139 14.826 2.352 1.00 33.24 N ATOM 670 CA GLU A 42 7.906 13.694 2.838 1.00 33.03 C ATOM 671 C GLU A 42 7.006 12.711 3.587 1.00 40.42 C ATOM 672 O GLU A 42 7.160 11.502 3.409 1.00 21.43 O ATOM 673 CB GLU A 42 9.079 14.182 3.697 1.00 30.51 C ATOM 674 CG GLU A 42 10.209 13.140 3.680 1.00 14.32 C ATOM 675 CD GLU A 42 11.439 13.549 4.495 1.00 3.02 C ATOM 676 OE1 GLU A 42 11.832 14.737 4.474 1.00 44.20 O ATOM 677 OE2 GLU A 42 12.028 12.652 5.140 1.00 2.14 O1- ATOM 0 H GLU A 42 7.356 15.704 2.823 1.00 33.24 H new ATOM 0 HA GLU A 42 8.324 13.153 1.989 1.00 33.03 H new ATOM 0 HB2 GLU A 42 9.446 15.136 3.318 1.00 30.51 H new ATOM 0 HB3 GLU A 42 8.745 14.353 4.721 1.00 30.51 H new ATOM 0 HG2 GLU A 42 9.826 12.196 4.067 1.00 14.32 H new ATOM 0 HG3 GLU A 42 10.511 12.962 2.648 1.00 14.32 H new ATOM 684 N HIS A 43 6.041 13.213 4.366 1.00 44.33 N ATOM 685 CA HIS A 43 5.109 12.395 5.138 1.00 44.01 C ATOM 686 C HIS A 43 4.384 11.432 4.213 1.00 54.41 C ATOM 687 O HIS A 43 4.296 10.245 4.519 1.00 14.03 O ATOM 688 CB HIS A 43 4.077 13.226 5.924 1.00 30.04 C ATOM 689 CG HIS A 43 3.618 12.504 7.165 1.00 15.00 C ATOM 690 ND1 HIS A 43 2.519 11.700 7.278 1.00 21.13 N flip ATOM 691 CD2 HIS A 43 4.246 12.515 8.391 1.00 25.41 C flip ATOM 692 CE1 HIS A 43 2.504 11.181 8.581 1.00 13.25 C flip ATOM 693 NE2 HIS A 43 3.530 11.754 9.232 1.00 71.41 N flip ATOM 0 H HIS A 43 5.886 14.215 4.477 1.00 44.33 H new ATOM 0 HA HIS A 43 5.704 11.851 5.871 1.00 44.01 H new ATOM 0 HB2 HIS A 43 4.515 14.185 6.200 1.00 30.04 H new ATOM 0 HB3 HIS A 43 3.219 13.439 5.287 1.00 30.04 H new ATOM 0 HD2 HIS A 43 5.156 13.044 8.633 1.00 25.41 H new ATOM 0 HE1 HIS A 43 1.805 10.462 8.982 1.00 13.25 H new ATOM 0 HE2 HIS A 43 3.735 11.628 10.223 1.00 71.41 H new ATOM 701 N THR A 44 3.913 11.923 3.064 1.00 62.13 N ATOM 702 CA THR A 44 3.274 11.096 2.056 1.00 71.14 C ATOM 703 C THR A 44 4.207 9.949 1.655 1.00 32.51 C ATOM 704 O THR A 44 3.779 8.800 1.659 1.00 73.14 O ATOM 705 CB THR A 44 2.886 11.957 0.843 1.00 22.00 C ATOM 706 OG1 THR A 44 2.101 13.069 1.219 1.00 22.10 O ATOM 707 CG2 THR A 44 2.077 11.153 -0.179 1.00 62.22 C ATOM 0 H THR A 44 3.968 12.910 2.813 1.00 62.13 H new ATOM 0 HA THR A 44 2.362 10.660 2.464 1.00 71.14 H new ATOM 0 HB THR A 44 3.826 12.293 0.405 1.00 22.00 H new ATOM 0 HG1 THR A 44 2.674 13.750 1.630 1.00 22.10 H new ATOM 0 HG21 THR A 44 1.819 11.792 -1.023 1.00 62.22 H new ATOM 0 HG22 THR A 44 2.671 10.309 -0.531 1.00 62.22 H new ATOM 0 HG23 THR A 44 1.164 10.784 0.289 1.00 62.22 H new ATOM 715 N ARG A 45 5.483 10.214 1.337 1.00 24.01 N ATOM 716 CA ARG A 45 6.411 9.149 0.940 1.00 72.21 C ATOM 717 C ARG A 45 6.600 8.159 2.082 1.00 64.44 C ATOM 718 O ARG A 45 6.521 6.955 1.843 1.00 71.53 O ATOM 719 CB ARG A 45 7.783 9.685 0.485 1.00 64.22 C ATOM 720 CG ARG A 45 7.785 10.247 -0.942 1.00 11.44 C ATOM 721 CD ARG A 45 7.298 11.695 -0.994 1.00 54.04 C ATOM 722 NE ARG A 45 7.128 12.197 -2.369 1.00 4.24 N ATOM 723 CZ ARG A 45 5.956 12.496 -2.952 1.00 42.41 C ATOM 724 NH1 ARG A 45 4.814 12.096 -2.403 1.00 25.00 N1+ ATOM 725 NH2 ARG A 45 5.928 13.212 -4.068 1.00 0.40 N ATOM 0 H ARG A 45 5.892 11.149 1.347 1.00 24.01 H new ATOM 0 HA ARG A 45 5.960 8.649 0.083 1.00 72.21 H new ATOM 0 HB2 ARG A 45 8.104 10.466 1.174 1.00 64.22 H new ATOM 0 HB3 ARG A 45 8.517 8.881 0.550 1.00 64.22 H new ATOM 0 HG2 ARG A 45 8.794 10.190 -1.352 1.00 11.44 H new ATOM 0 HG3 ARG A 45 7.149 9.629 -1.575 1.00 11.44 H new ATOM 0 HD2 ARG A 45 6.348 11.772 -0.465 1.00 54.04 H new ATOM 0 HD3 ARG A 45 8.009 12.331 -0.466 1.00 54.04 H new ATOM 0 HE ARG A 45 7.973 12.329 -2.925 1.00 4.24 H new ATOM 0 HH11 ARG A 45 4.826 11.560 -1.535 1.00 25.00 H new ATOM 0 HH12 ARG A 45 3.926 12.325 -2.849 1.00 25.00 H new ATOM 0 HH21 ARG A 45 6.799 13.538 -4.487 1.00 0.40 H new ATOM 0 HH22 ARG A 45 5.035 13.437 -4.507 1.00 0.40 H new ATOM 739 N GLN A 46 6.865 8.649 3.292 1.00 54.25 N ATOM 740 CA GLN A 46 7.122 7.822 4.463 1.00 14.35 C ATOM 741 C GLN A 46 5.907 6.964 4.824 1.00 34.32 C ATOM 742 O GLN A 46 6.080 5.849 5.310 1.00 63.33 O ATOM 743 CB GLN A 46 7.531 8.705 5.656 1.00 1.03 C ATOM 744 CG GLN A 46 8.881 9.428 5.483 1.00 71.03 C ATOM 745 CD GLN A 46 10.093 8.516 5.664 1.00 64.21 C ATOM 746 OE1 GLN A 46 10.150 7.403 5.152 1.00 2.51 O ATOM 747 NE2 GLN A 46 11.125 8.977 6.345 1.00 72.22 N ATOM 0 H GLN A 46 6.907 9.649 3.486 1.00 54.25 H new ATOM 0 HA GLN A 46 7.942 7.146 4.222 1.00 14.35 H new ATOM 0 HB2 GLN A 46 6.753 9.450 5.824 1.00 1.03 H new ATOM 0 HB3 GLN A 46 7.577 8.085 6.551 1.00 1.03 H new ATOM 0 HG2 GLN A 46 8.919 9.875 4.490 1.00 71.03 H new ATOM 0 HG3 GLN A 46 8.941 10.244 6.203 1.00 71.03 H new ATOM 0 HE21 GLN A 46 11.082 9.902 6.772 1.00 72.22 H new ATOM 0 HE22 GLN A 46 11.966 8.408 6.444 1.00 72.22 H new ATOM 756 N CYS A 47 4.687 7.459 4.608 1.00 43.24 N ATOM 757 CA CYS A 47 3.448 6.721 4.750 1.00 44.42 C ATOM 758 C CYS A 47 3.324 5.673 3.651 1.00 2.22 C ATOM 759 O CYS A 47 3.047 4.512 3.937 1.00 63.24 O ATOM 760 CB CYS A 47 2.293 7.720 4.668 1.00 3.33 C ATOM 761 SG CYS A 47 2.203 8.637 6.222 1.00 22.35 S ATOM 0 H CYS A 47 4.538 8.425 4.318 1.00 43.24 H new ATOM 0 HA CYS A 47 3.428 6.200 5.707 1.00 44.42 H new ATOM 0 HB2 CYS A 47 2.445 8.405 3.834 1.00 3.33 H new ATOM 0 HB3 CYS A 47 1.354 7.197 4.484 1.00 3.33 H new ATOM 0 HG CYS A 47 2.350 9.907 5.986 1.00 22.35 H new ATOM 767 N LEU A 48 3.515 6.083 2.399 1.00 4.13 N ATOM 768 CA LEU A 48 3.301 5.253 1.227 1.00 3.12 C ATOM 769 C LEU A 48 4.180 4.008 1.283 1.00 50.02 C ATOM 770 O LEU A 48 3.673 2.897 1.116 1.00 33.14 O ATOM 771 CB LEU A 48 3.537 6.120 -0.019 1.00 72.14 C ATOM 772 CG LEU A 48 3.109 5.526 -1.364 1.00 60.44 C ATOM 773 CD1 LEU A 48 4.077 4.473 -1.903 1.00 73.51 C ATOM 774 CD2 LEU A 48 1.670 5.004 -1.333 1.00 44.04 C ATOM 0 H LEU A 48 3.831 7.026 2.171 1.00 4.13 H new ATOM 0 HA LEU A 48 2.277 4.880 1.189 1.00 3.12 H new ATOM 0 HB2 LEU A 48 3.010 7.064 0.119 1.00 72.14 H new ATOM 0 HB3 LEU A 48 4.600 6.354 -0.074 1.00 72.14 H new ATOM 0 HG LEU A 48 3.144 6.356 -2.070 1.00 60.44 H new ATOM 0 HD11 LEU A 48 3.710 4.096 -2.858 1.00 73.51 H new ATOM 0 HD12 LEU A 48 5.061 4.921 -2.043 1.00 73.51 H new ATOM 0 HD13 LEU A 48 4.151 3.650 -1.193 1.00 73.51 H new ATOM 0 HD21 LEU A 48 1.411 4.592 -2.309 1.00 44.04 H new ATOM 0 HD22 LEU A 48 1.582 4.225 -0.575 1.00 44.04 H new ATOM 0 HD23 LEU A 48 0.991 5.822 -1.093 1.00 44.04 H new ATOM 786 N ILE A 49 5.483 4.164 1.551 1.00 4.15 N ATOM 787 CA ILE A 49 6.352 3.014 1.732 1.00 22.35 C ATOM 788 C ILE A 49 5.917 2.161 2.917 1.00 73.31 C ATOM 789 O ILE A 49 5.912 0.948 2.767 1.00 54.42 O ATOM 790 CB ILE A 49 7.847 3.373 1.776 1.00 2.24 C ATOM 791 CG1 ILE A 49 8.241 4.198 3.019 1.00 3.42 C ATOM 792 CG2 ILE A 49 8.248 4.054 0.454 1.00 45.11 C ATOM 793 CD1 ILE A 49 9.741 4.469 3.103 1.00 33.54 C ATOM 0 H ILE A 49 5.946 5.068 1.645 1.00 4.15 H new ATOM 0 HA ILE A 49 6.236 2.403 0.837 1.00 22.35 H new ATOM 0 HB ILE A 49 8.415 2.448 1.877 1.00 2.24 H new ATOM 0 HG12 ILE A 49 7.706 5.148 3.003 1.00 3.42 H new ATOM 0 HG13 ILE A 49 7.922 3.668 3.916 1.00 3.42 H new ATOM 0 HG21 ILE A 49 9.307 4.309 0.483 1.00 45.11 H new ATOM 0 HG22 ILE A 49 8.061 3.374 -0.377 1.00 45.11 H new ATOM 0 HG23 ILE A 49 7.660 4.962 0.319 1.00 45.11 H new ATOM 0 HD11 ILE A 49 9.956 5.053 3.998 1.00 33.54 H new ATOM 0 HD12 ILE A 49 10.280 3.523 3.149 1.00 33.54 H new ATOM 0 HD13 ILE A 49 10.060 5.025 2.222 1.00 33.54 H new ATOM 805 N LYS A 50 5.468 2.750 4.034 1.00 54.03 N ATOM 806 CA LYS A 50 4.960 1.994 5.174 1.00 10.45 C ATOM 807 C LYS A 50 3.846 1.064 4.714 1.00 65.14 C ATOM 808 O LYS A 50 3.833 -0.096 5.112 1.00 21.01 O ATOM 809 CB LYS A 50 4.480 2.949 6.286 1.00 64.21 C ATOM 810 CG LYS A 50 5.120 2.731 7.663 1.00 11.34 C ATOM 811 CD LYS A 50 6.640 2.946 7.661 1.00 30.02 C ATOM 812 CE LYS A 50 7.171 3.302 9.055 1.00 53.21 C ATOM 813 NZ LYS A 50 8.633 3.118 9.168 1.00 51.25 N1+ ATOM 0 H LYS A 50 5.449 3.761 4.167 1.00 54.03 H new ATOM 0 HA LYS A 50 5.762 1.386 5.593 1.00 10.45 H new ATOM 0 HB2 LYS A 50 4.677 3.974 5.971 1.00 64.21 H new ATOM 0 HB3 LYS A 50 3.399 2.848 6.386 1.00 64.21 H new ATOM 0 HG2 LYS A 50 4.664 3.412 8.381 1.00 11.34 H new ATOM 0 HG3 LYS A 50 4.903 1.718 8.002 1.00 11.34 H new ATOM 0 HD2 LYS A 50 7.134 2.042 7.305 1.00 30.02 H new ATOM 0 HD3 LYS A 50 6.893 3.743 6.962 1.00 30.02 H new ATOM 0 HE2 LYS A 50 6.920 4.338 9.282 1.00 53.21 H new ATOM 0 HE3 LYS A 50 6.671 2.682 9.800 1.00 53.21 H new ATOM 0 HZ1 LYS A 50 8.942 3.372 10.128 1.00 51.25 H new ATOM 0 HZ2 LYS A 50 8.873 2.124 8.978 1.00 51.25 H new ATOM 0 HZ3 LYS A 50 9.114 3.728 8.477 1.00 51.25 H new ATOM 827 N ILE A 51 2.916 1.556 3.895 1.00 24.51 N ATOM 828 CA ILE A 51 1.805 0.755 3.404 1.00 1.44 C ATOM 829 C ILE A 51 2.375 -0.391 2.567 1.00 1.23 C ATOM 830 O ILE A 51 2.080 -1.557 2.850 1.00 42.41 O ATOM 831 CB ILE A 51 0.767 1.608 2.631 1.00 34.42 C ATOM 832 CG1 ILE A 51 0.135 2.701 3.528 1.00 72.01 C ATOM 833 CG2 ILE A 51 -0.341 0.681 2.107 1.00 64.43 C ATOM 834 CD1 ILE A 51 -0.504 3.842 2.722 1.00 62.13 C ATOM 0 H ILE A 51 2.915 2.518 3.557 1.00 24.51 H new ATOM 0 HA ILE A 51 1.251 0.338 4.245 1.00 1.44 H new ATOM 0 HB ILE A 51 1.280 2.108 1.809 1.00 34.42 H new ATOM 0 HG12 ILE A 51 -0.622 2.246 4.167 1.00 72.01 H new ATOM 0 HG13 ILE A 51 0.901 3.112 4.185 1.00 72.01 H new ATOM 0 HG21 ILE A 51 -1.079 1.269 1.561 1.00 64.43 H new ATOM 0 HG22 ILE A 51 0.093 -0.065 1.442 1.00 64.43 H new ATOM 0 HG23 ILE A 51 -0.825 0.181 2.946 1.00 64.43 H new ATOM 0 HD11 ILE A 51 -0.930 4.576 3.406 1.00 62.13 H new ATOM 0 HD12 ILE A 51 0.255 4.320 2.103 1.00 62.13 H new ATOM 0 HD13 ILE A 51 -1.292 3.440 2.085 1.00 62.13 H new ATOM 846 N GLY A 52 3.145 -0.075 1.525 1.00 60.25 N ATOM 847 CA GLY A 52 3.631 -1.076 0.594 1.00 12.12 C ATOM 848 C GLY A 52 4.516 -2.128 1.269 1.00 41.42 C ATOM 849 O GLY A 52 4.392 -3.314 0.936 1.00 1.12 O ATOM 0 H GLY A 52 3.444 0.876 1.310 1.00 60.25 H new ATOM 0 HA2 GLY A 52 2.782 -1.570 0.121 1.00 12.12 H new ATOM 0 HA3 GLY A 52 4.196 -0.586 -0.199 1.00 12.12 H new ATOM 853 N ASP A 53 5.371 -1.711 2.204 1.00 15.43 N ATOM 854 CA ASP A 53 6.225 -2.566 3.015 1.00 23.03 C ATOM 855 C ASP A 53 5.332 -3.500 3.822 1.00 4.51 C ATOM 856 O ASP A 53 5.468 -4.709 3.667 1.00 64.45 O ATOM 857 CB ASP A 53 7.154 -1.761 3.948 1.00 51.04 C ATOM 858 CG ASP A 53 8.525 -1.405 3.353 1.00 41.21 C ATOM 859 OD1 ASP A 53 9.352 -2.333 3.185 1.00 2.34 O ATOM 860 OD2 ASP A 53 8.872 -0.204 3.245 1.00 74.02 O1- ATOM 0 H ASP A 53 5.489 -0.722 2.423 1.00 15.43 H new ATOM 0 HA ASP A 53 6.879 -3.134 2.354 1.00 23.03 H new ATOM 0 HB2 ASP A 53 6.648 -0.838 4.232 1.00 51.04 H new ATOM 0 HB3 ASP A 53 7.310 -2.333 4.862 1.00 51.04 H new ATOM 865 N HIS A 54 4.393 -2.975 4.626 1.00 4.14 N ATOM 866 CA HIS A 54 3.589 -3.800 5.525 1.00 61.14 C ATOM 867 C HIS A 54 2.750 -4.819 4.775 1.00 71.00 C ATOM 868 O HIS A 54 2.529 -5.926 5.277 1.00 13.33 O ATOM 869 CB HIS A 54 2.672 -2.930 6.391 1.00 31.12 C ATOM 870 CG HIS A 54 3.334 -2.580 7.686 1.00 71.42 C ATOM 871 ND1 HIS A 54 3.946 -1.407 8.021 1.00 41.41 N flip ATOM 872 CD2 HIS A 54 3.502 -3.459 8.723 1.00 41.53 C flip ATOM 873 CE1 HIS A 54 4.473 -1.570 9.306 1.00 33.05 C flip ATOM 874 NE2 HIS A 54 4.203 -2.836 9.674 1.00 52.53 N flip ATOM 0 H HIS A 54 4.176 -1.979 4.667 1.00 4.14 H new ATOM 0 HA HIS A 54 4.291 -4.339 6.161 1.00 61.14 H new ATOM 0 HB2 HIS A 54 2.414 -2.018 5.852 1.00 31.12 H new ATOM 0 HB3 HIS A 54 1.740 -3.460 6.586 1.00 31.12 H new ATOM 0 HD1 HIS A 54 4.007 -0.569 7.443 1.00 41.41 H new ATOM 0 HD2 HIS A 54 3.134 -4.473 8.764 1.00 41.53 H new ATOM 0 HE1 HIS A 54 4.995 -0.825 9.889 1.00 33.05 H new ATOM 882 N ILE A 55 2.251 -4.450 3.598 1.00 14.30 N ATOM 883 CA ILE A 55 1.585 -5.391 2.732 1.00 11.25 C ATOM 884 C ILE A 55 2.578 -6.490 2.361 1.00 40.53 C ATOM 885 O ILE A 55 2.266 -7.665 2.543 1.00 21.05 O ATOM 886 CB ILE A 55 0.997 -4.648 1.531 1.00 51.10 C ATOM 887 CG1 ILE A 55 -0.160 -3.730 1.953 1.00 44.42 C ATOM 888 CG2 ILE A 55 0.495 -5.652 0.498 1.00 13.04 C ATOM 889 CD1 ILE A 55 -0.552 -2.708 0.889 1.00 63.25 C ATOM 0 H ILE A 55 2.301 -3.500 3.230 1.00 14.30 H new ATOM 0 HA ILE A 55 0.743 -5.875 3.227 1.00 11.25 H new ATOM 0 HB ILE A 55 1.785 -4.031 1.099 1.00 51.10 H new ATOM 0 HG12 ILE A 55 -1.029 -4.343 2.193 1.00 44.42 H new ATOM 0 HG13 ILE A 55 0.120 -3.203 2.865 1.00 44.42 H new ATOM 0 HG21 ILE A 55 0.077 -5.118 -0.355 1.00 13.04 H new ATOM 0 HG22 ILE A 55 1.324 -6.276 0.165 1.00 13.04 H new ATOM 0 HG23 ILE A 55 -0.275 -6.280 0.945 1.00 13.04 H new ATOM 0 HD11 ILE A 55 -1.375 -2.096 1.258 1.00 63.25 H new ATOM 0 HD12 ILE A 55 0.303 -2.070 0.665 1.00 63.25 H new ATOM 0 HD13 ILE A 55 -0.864 -3.227 -0.017 1.00 63.25 H new ATOM 901 N THR A 56 3.752 -6.135 1.839 1.00 5.22 N ATOM 902 CA THR A 56 4.678 -7.133 1.329 1.00 13.14 C ATOM 903 C THR A 56 5.144 -8.098 2.428 1.00 44.41 C ATOM 904 O THR A 56 5.221 -9.293 2.140 1.00 3.10 O ATOM 905 CB THR A 56 5.828 -6.465 0.560 1.00 23.42 C ATOM 906 OG1 THR A 56 5.317 -5.501 -0.347 1.00 70.12 O ATOM 907 CG2 THR A 56 6.584 -7.499 -0.275 1.00 44.22 C ATOM 0 H THR A 56 4.078 -5.172 1.761 1.00 5.22 H new ATOM 0 HA THR A 56 4.150 -7.759 0.609 1.00 13.14 H new ATOM 0 HB THR A 56 6.487 -6.002 1.295 1.00 23.42 H new ATOM 0 HG1 THR A 56 5.138 -4.665 0.131 1.00 70.12 H new ATOM 0 HG21 THR A 56 7.395 -7.009 -0.813 1.00 44.22 H new ATOM 0 HG22 THR A 56 6.995 -8.266 0.381 1.00 44.22 H new ATOM 0 HG23 THR A 56 5.901 -7.960 -0.989 1.00 44.22 H new ATOM 915 N GLU A 57 5.348 -7.641 3.672 1.00 33.02 N ATOM 916 CA GLU A 57 5.739 -8.513 4.785 1.00 24.11 C ATOM 917 C GLU A 57 4.718 -9.635 5.001 1.00 32.24 C ATOM 918 O GLU A 57 5.084 -10.773 5.291 1.00 3.40 O ATOM 919 CB GLU A 57 5.869 -7.726 6.104 1.00 61.11 C ATOM 920 CG GLU A 57 6.929 -6.620 6.142 1.00 73.54 C ATOM 921 CD GLU A 57 8.287 -7.073 5.618 1.00 61.31 C ATOM 922 OE1 GLU A 57 8.856 -8.032 6.178 1.00 1.40 O ATOM 923 OE2 GLU A 57 8.781 -6.503 4.622 1.00 10.24 O1- ATOM 0 H GLU A 57 5.247 -6.660 3.933 1.00 33.02 H new ATOM 0 HA GLU A 57 6.706 -8.938 4.514 1.00 24.11 H new ATOM 0 HB2 GLU A 57 4.901 -7.278 6.330 1.00 61.11 H new ATOM 0 HB3 GLU A 57 6.087 -8.434 6.903 1.00 61.11 H new ATOM 0 HG2 GLU A 57 6.582 -5.773 5.550 1.00 73.54 H new ATOM 0 HG3 GLU A 57 7.041 -6.268 7.167 1.00 73.54 H new ATOM 930 N CYS A 58 3.432 -9.309 4.874 1.00 11.34 N ATOM 931 CA CYS A 58 2.325 -10.229 5.081 1.00 0.31 C ATOM 932 C CYS A 58 2.153 -11.178 3.894 1.00 73.23 C ATOM 933 O CYS A 58 1.987 -12.383 4.073 1.00 13.34 O ATOM 934 CB CYS A 58 1.058 -9.398 5.280 1.00 31.54 C ATOM 935 SG CYS A 58 0.984 -8.778 6.987 1.00 43.24 S ATOM 0 H CYS A 58 3.128 -8.370 4.617 1.00 11.34 H new ATOM 0 HA CYS A 58 2.525 -10.847 5.957 1.00 0.31 H new ATOM 0 HB2 CYS A 58 1.047 -8.563 4.580 1.00 31.54 H new ATOM 0 HB3 CYS A 58 0.178 -10.004 5.066 1.00 31.54 H new ATOM 0 HG CYS A 58 0.027 -7.905 7.090 1.00 43.24 H new ATOM 941 N LEU A 59 2.196 -10.643 2.674 1.00 64.12 N ATOM 942 CA LEU A 59 2.100 -11.430 1.447 1.00 53.20 C ATOM 943 C LEU A 59 3.283 -12.399 1.349 1.00 72.32 C ATOM 944 O LEU A 59 3.134 -13.446 0.726 1.00 72.00 O ATOM 945 CB LEU A 59 2.082 -10.534 0.194 1.00 14.43 C ATOM 946 CG LEU A 59 0.987 -9.463 0.116 1.00 53.24 C ATOM 947 CD1 LEU A 59 1.364 -8.504 -1.015 1.00 71.42 C ATOM 948 CD2 LEU A 59 -0.376 -10.091 -0.155 1.00 3.53 C ATOM 0 H LEU A 59 2.299 -9.642 2.509 1.00 64.12 H new ATOM 0 HA LEU A 59 1.162 -11.984 1.489 1.00 53.20 H new ATOM 0 HB2 LEU A 59 3.049 -10.035 0.121 1.00 14.43 H new ATOM 0 HB3 LEU A 59 1.988 -11.178 -0.681 1.00 14.43 H new ATOM 0 HG LEU A 59 0.914 -8.933 1.066 1.00 53.24 H new ATOM 0 HD11 LEU A 59 0.605 -7.726 -1.100 1.00 71.42 H new ATOM 0 HD12 LEU A 59 2.330 -8.047 -0.798 1.00 71.42 H new ATOM 0 HD13 LEU A 59 1.426 -9.055 -1.954 1.00 71.42 H new ATOM 0 HD21 LEU A 59 -1.133 -9.309 -0.205 1.00 3.53 H new ATOM 0 HD22 LEU A 59 -0.347 -10.629 -1.102 1.00 3.53 H new ATOM 0 HD23 LEU A 59 -0.623 -10.784 0.649 1.00 3.53 H new ATOM 960 N LYS A 60 4.448 -12.073 1.931 1.00 42.43 N ATOM 961 CA LYS A 60 5.599 -12.967 2.015 1.00 35.12 C ATOM 962 C LYS A 60 5.323 -14.219 2.840 1.00 40.54 C ATOM 963 O LYS A 60 6.115 -15.162 2.749 1.00 41.41 O ATOM 964 CB LYS A 60 6.804 -12.227 2.639 1.00 54.12 C ATOM 965 CG LYS A 60 7.985 -12.025 1.693 1.00 34.15 C ATOM 966 CD LYS A 60 7.966 -10.700 0.931 1.00 11.14 C ATOM 967 CE LYS A 60 9.286 -10.488 0.169 1.00 52.11 C ATOM 968 NZ LYS A 60 9.589 -11.554 -0.812 1.00 72.35 N1+ ATOM 0 H LYS A 60 4.613 -11.163 2.362 1.00 42.43 H new ATOM 0 HA LYS A 60 5.818 -13.278 0.993 1.00 35.12 H new ATOM 0 HB2 LYS A 60 6.470 -11.253 2.996 1.00 54.12 H new ATOM 0 HB3 LYS A 60 7.145 -12.786 3.511 1.00 54.12 H new ATOM 0 HG2 LYS A 60 8.909 -12.086 2.268 1.00 34.15 H new ATOM 0 HG3 LYS A 60 8.002 -12.843 0.973 1.00 34.15 H new ATOM 0 HD2 LYS A 60 7.131 -10.690 0.230 1.00 11.14 H new ATOM 0 HD3 LYS A 60 7.807 -9.877 1.628 1.00 11.14 H new ATOM 0 HE2 LYS A 60 9.245 -9.531 -0.350 1.00 52.11 H new ATOM 0 HE3 LYS A 60 10.103 -10.426 0.888 1.00 52.11 H new ATOM 0 HZ1 LYS A 60 10.446 -11.302 -1.345 1.00 72.35 H new ATOM 0 HZ2 LYS A 60 9.744 -12.452 -0.312 1.00 72.35 H new ATOM 0 HZ3 LYS A 60 8.790 -11.658 -1.470 1.00 72.35 H new ATOM 982 N GLU A 61 4.268 -14.231 3.656 1.00 54.21 N ATOM 983 CA GLU A 61 3.960 -15.396 4.456 1.00 54.40 C ATOM 984 C GLU A 61 3.482 -16.520 3.546 1.00 62.01 C ATOM 985 O GLU A 61 3.843 -17.678 3.766 1.00 3.42 O ATOM 986 CB GLU A 61 2.885 -15.081 5.511 1.00 64.41 C ATOM 987 CG GLU A 61 3.126 -15.984 6.727 1.00 21.14 C ATOM 988 CD GLU A 61 1.907 -16.163 7.631 1.00 34.24 C ATOM 989 OE1 GLU A 61 1.354 -15.157 8.135 1.00 63.12 O1- ATOM 990 OE2 GLU A 61 1.500 -17.331 7.860 1.00 3.14 O ATOM 0 H GLU A 61 3.623 -13.450 3.773 1.00 54.21 H new ATOM 0 HA GLU A 61 4.864 -15.704 4.982 1.00 54.40 H new ATOM 0 HB2 GLU A 61 2.934 -14.032 5.802 1.00 64.41 H new ATOM 0 HB3 GLU A 61 1.889 -15.252 5.102 1.00 64.41 H new ATOM 0 HG2 GLU A 61 3.451 -16.964 6.378 1.00 21.14 H new ATOM 0 HG3 GLU A 61 3.943 -15.568 7.317 1.00 21.14 H new ATOM 997 N TYR A 62 2.650 -16.200 2.544 1.00 60.23 N ATOM 998 CA TYR A 62 2.010 -17.263 1.776 1.00 13.04 C ATOM 999 C TYR A 62 3.054 -17.964 0.892 1.00 13.02 C ATOM 1000 O TYR A 62 3.971 -17.329 0.358 1.00 51.53 O ATOM 1001 CB TYR A 62 0.827 -16.760 0.942 1.00 44.44 C ATOM 1002 CG TYR A 62 -0.174 -15.913 1.687 1.00 71.50 C ATOM 1003 CD1 TYR A 62 -1.067 -16.546 2.564 1.00 33.43 C ATOM 1004 CD2 TYR A 62 -0.250 -14.523 1.473 1.00 21.24 C ATOM 1005 CE1 TYR A 62 -2.058 -15.804 3.219 1.00 41.42 C ATOM 1006 CE2 TYR A 62 -1.225 -13.768 2.156 1.00 62.34 C ATOM 1007 CZ TYR A 62 -2.134 -14.404 3.037 1.00 11.34 C ATOM 1008 OH TYR A 62 -3.081 -13.679 3.696 1.00 10.34 O ATOM 0 H TYR A 62 2.414 -15.250 2.258 1.00 60.23 H new ATOM 0 HA TYR A 62 1.597 -17.981 2.485 1.00 13.04 H new ATOM 0 HB2 TYR A 62 1.215 -16.181 0.104 1.00 44.44 H new ATOM 0 HB3 TYR A 62 0.308 -17.621 0.522 1.00 44.44 H new ATOM 0 HD1 TYR A 62 -0.990 -17.610 2.735 1.00 33.43 H new ATOM 0 HD2 TYR A 62 0.433 -14.039 0.791 1.00 21.24 H new ATOM 0 HE1 TYR A 62 -2.766 -16.302 3.865 1.00 41.42 H new ATOM 0 HE2 TYR A 62 -1.279 -12.700 2.007 1.00 62.34 H new ATOM 0 HH TYR A 62 -3.866 -13.567 3.121 1.00 10.34 H new ATOM 1018 N THR A 63 2.869 -19.262 0.674 1.00 43.11 N ATOM 1019 CA THR A 63 3.709 -20.093 -0.173 1.00 35.33 C ATOM 1020 C THR A 63 3.109 -20.216 -1.576 1.00 12.01 C ATOM 1021 O THR A 63 3.852 -20.214 -2.562 1.00 41.13 O ATOM 1022 CB THR A 63 3.907 -21.470 0.493 1.00 2.33 C ATOM 1023 OG1 THR A 63 2.661 -22.060 0.817 1.00 32.45 O ATOM 1024 CG2 THR A 63 4.741 -21.370 1.777 1.00 31.03 C ATOM 0 H THR A 63 2.101 -19.781 1.099 1.00 43.11 H new ATOM 0 HA THR A 63 4.687 -19.626 -0.287 1.00 35.33 H new ATOM 0 HB THR A 63 4.438 -22.088 -0.231 1.00 2.33 H new ATOM 0 HG1 THR A 63 2.812 -22.933 1.236 1.00 32.45 H new ATOM 0 HG21 THR A 63 4.856 -22.362 2.214 1.00 31.03 H new ATOM 0 HG22 THR A 63 5.723 -20.961 1.542 1.00 31.03 H new ATOM 0 HG23 THR A 63 4.236 -20.716 2.489 1.00 31.03 H new ATOM 1032 N ASN A 64 1.784 -20.344 -1.704 1.00 22.12 N ATOM 1033 CA ASN A 64 1.165 -20.605 -3.004 1.00 20.34 C ATOM 1034 C ASN A 64 1.229 -19.370 -3.894 1.00 62.22 C ATOM 1035 O ASN A 64 0.978 -18.267 -3.401 1.00 24.00 O ATOM 1036 CB ASN A 64 -0.304 -21.026 -2.832 1.00 73.21 C ATOM 1037 CG ASN A 64 -0.414 -22.528 -2.639 1.00 21.22 C ATOM 1038 OD1 ASN A 64 -0.109 -23.036 -1.570 1.00 61.02 O ATOM 1039 ND2 ASN A 64 -0.824 -23.256 -3.661 1.00 53.22 N ATOM 0 H ASN A 64 1.125 -20.271 -0.928 1.00 22.12 H new ATOM 0 HA ASN A 64 1.721 -21.416 -3.476 1.00 20.34 H new ATOM 0 HB2 ASN A 64 -0.737 -20.512 -1.974 1.00 73.21 H new ATOM 0 HB3 ASN A 64 -0.879 -20.724 -3.708 1.00 73.21 H new ATOM 0 HD21 ASN A 64 -0.893 -24.270 -3.570 1.00 53.22 H new ATOM 0 HD22 ASN A 64 -1.072 -22.805 -4.542 1.00 53.22 H new ATOM 1046 N PRO A 65 1.428 -19.542 -5.214 1.00 2.25 N ATOM 1047 CA PRO A 65 1.421 -18.442 -6.163 1.00 15.53 C ATOM 1048 C PRO A 65 0.038 -17.814 -6.265 1.00 14.03 C ATOM 1049 O PRO A 65 -0.063 -16.591 -6.315 1.00 64.50 O ATOM 1050 CB PRO A 65 1.885 -19.020 -7.493 1.00 31.12 C ATOM 1051 CG PRO A 65 1.494 -20.479 -7.389 1.00 31.01 C ATOM 1052 CD PRO A 65 1.760 -20.776 -5.912 1.00 54.11 C ATOM 0 HA PRO A 65 2.085 -17.639 -5.844 1.00 15.53 H new ATOM 0 HB2 PRO A 65 1.398 -18.531 -8.337 1.00 31.12 H new ATOM 0 HB3 PRO A 65 2.959 -18.900 -7.632 1.00 31.12 H new ATOM 0 HG2 PRO A 65 0.450 -20.641 -7.656 1.00 31.01 H new ATOM 0 HG3 PRO A 65 2.093 -21.110 -8.046 1.00 31.01 H new ATOM 0 HD2 PRO A 65 1.147 -21.606 -5.560 1.00 54.11 H new ATOM 0 HD3 PRO A 65 2.801 -21.055 -5.747 1.00 54.11 H new ATOM 1060 N GLU A 66 -1.036 -18.610 -6.247 1.00 13.54 N ATOM 1061 CA GLU A 66 -2.371 -18.037 -6.323 1.00 32.01 C ATOM 1062 C GLU A 66 -2.621 -17.131 -5.124 1.00 34.31 C ATOM 1063 O GLU A 66 -3.099 -16.018 -5.321 1.00 2.21 O ATOM 1064 CB GLU A 66 -3.453 -19.113 -6.492 1.00 33.45 C ATOM 1065 CG GLU A 66 -3.440 -19.587 -7.952 1.00 24.12 C ATOM 1066 CD GLU A 66 -4.522 -20.608 -8.308 1.00 62.35 C ATOM 1067 OE1 GLU A 66 -5.641 -20.555 -7.748 1.00 45.54 O1- ATOM 1068 OE2 GLU A 66 -4.238 -21.408 -9.231 1.00 0.13 O ATOM 0 H GLU A 66 -1.004 -19.627 -6.182 1.00 13.54 H new ATOM 0 HA GLU A 66 -2.431 -17.421 -7.221 1.00 32.01 H new ATOM 0 HB2 GLU A 66 -3.264 -19.950 -5.820 1.00 33.45 H new ATOM 0 HB3 GLU A 66 -4.432 -18.710 -6.232 1.00 33.45 H new ATOM 0 HG2 GLU A 66 -3.553 -18.719 -8.601 1.00 24.12 H new ATOM 0 HG3 GLU A 66 -2.465 -20.023 -8.168 1.00 24.12 H new ATOM 1075 N GLN A 67 -2.228 -17.520 -3.905 1.00 33.41 N ATOM 1076 CA GLN A 67 -2.441 -16.667 -2.757 1.00 44.41 C ATOM 1077 C GLN A 67 -1.540 -15.448 -2.796 1.00 71.14 C ATOM 1078 O GLN A 67 -2.057 -14.337 -2.729 1.00 63.51 O ATOM 1079 CB GLN A 67 -2.284 -17.442 -1.447 1.00 53.35 C ATOM 1080 CG GLN A 67 -3.680 -17.596 -0.836 1.00 13.40 C ATOM 1081 CD GLN A 67 -3.716 -17.973 0.633 1.00 75.21 C ATOM 1082 OE1 GLN A 67 -4.568 -17.471 1.366 1.00 50.45 O ATOM 1083 NE2 GLN A 67 -2.822 -18.843 1.067 1.00 3.24 N ATOM 0 H GLN A 67 -1.769 -18.408 -3.702 1.00 33.41 H new ATOM 0 HA GLN A 67 -3.470 -16.310 -2.801 1.00 44.41 H new ATOM 0 HB2 GLN A 67 -1.835 -18.418 -1.630 1.00 53.35 H new ATOM 0 HB3 GLN A 67 -1.622 -16.910 -0.763 1.00 53.35 H new ATOM 0 HG2 GLN A 67 -4.219 -16.657 -0.965 1.00 13.40 H new ATOM 0 HG3 GLN A 67 -4.222 -18.355 -1.401 1.00 13.40 H new ATOM 0 HE21 GLN A 67 -2.135 -19.233 0.422 1.00 3.24 H new ATOM 0 HE22 GLN A 67 -2.819 -19.125 2.047 1.00 3.24 H new ATOM 1092 N ILE A 68 -0.218 -15.607 -2.911 1.00 1.22 N ATOM 1093 CA ILE A 68 0.682 -14.455 -2.966 1.00 12.50 C ATOM 1094 C ILE A 68 0.259 -13.477 -4.069 1.00 71.12 C ATOM 1095 O ILE A 68 0.470 -12.279 -3.898 1.00 55.41 O ATOM 1096 CB ILE A 68 2.179 -14.831 -3.086 1.00 33.42 C ATOM 1097 CG1 ILE A 68 2.546 -15.545 -4.389 1.00 13.11 C ATOM 1098 CG2 ILE A 68 2.706 -15.658 -1.918 1.00 13.44 C ATOM 1099 CD1 ILE A 68 3.067 -14.610 -5.485 1.00 33.44 C ATOM 0 H ILE A 68 0.247 -16.513 -2.967 1.00 1.22 H new ATOM 0 HA ILE A 68 0.586 -13.956 -2.002 1.00 12.50 H new ATOM 0 HB ILE A 68 2.665 -13.855 -3.076 1.00 33.42 H new ATOM 0 HG12 ILE A 68 3.305 -16.299 -4.177 1.00 13.11 H new ATOM 0 HG13 ILE A 68 1.668 -16.072 -4.762 1.00 13.11 H new ATOM 0 HG21 ILE A 68 3.761 -15.881 -2.077 1.00 13.44 H new ATOM 0 HG22 ILE A 68 2.589 -15.095 -0.992 1.00 13.44 H new ATOM 0 HG23 ILE A 68 2.145 -16.590 -1.850 1.00 13.44 H new ATOM 0 HD11 ILE A 68 3.305 -15.191 -6.376 1.00 33.44 H new ATOM 0 HD12 ILE A 68 2.303 -13.872 -5.727 1.00 33.44 H new ATOM 0 HD13 ILE A 68 3.964 -14.101 -5.133 1.00 33.44 H new ATOM 1111 N LYS A 69 -0.320 -13.935 -5.187 1.00 64.12 N ATOM 1112 CA LYS A 69 -0.677 -13.075 -6.310 1.00 12.30 C ATOM 1113 C LYS A 69 -2.065 -12.463 -6.142 1.00 53.31 C ATOM 1114 O LYS A 69 -2.217 -11.257 -6.375 1.00 62.25 O ATOM 1115 CB LYS A 69 -0.543 -13.876 -7.613 1.00 34.45 C ATOM 1116 CG LYS A 69 -0.675 -12.950 -8.823 1.00 41.45 C ATOM 1117 CD LYS A 69 -0.040 -13.544 -10.085 1.00 30.22 C ATOM 1118 CE LYS A 69 -0.299 -12.670 -11.318 1.00 41.34 C ATOM 1119 NZ LYS A 69 0.025 -11.241 -11.086 1.00 65.32 N1+ ATOM 0 H LYS A 69 -0.553 -14.917 -5.333 1.00 64.12 H new ATOM 0 HA LYS A 69 0.010 -12.230 -6.347 1.00 12.30 H new ATOM 0 HB2 LYS A 69 0.422 -14.383 -7.638 1.00 34.45 H new ATOM 0 HB3 LYS A 69 -1.310 -14.649 -7.653 1.00 34.45 H new ATOM 0 HG2 LYS A 69 -1.730 -12.749 -9.010 1.00 41.45 H new ATOM 0 HG3 LYS A 69 -0.204 -11.993 -8.598 1.00 41.45 H new ATOM 0 HD2 LYS A 69 1.034 -13.652 -9.935 1.00 30.22 H new ATOM 0 HD3 LYS A 69 -0.440 -14.543 -10.257 1.00 30.22 H new ATOM 0 HE2 LYS A 69 0.295 -13.042 -12.153 1.00 41.34 H new ATOM 0 HE3 LYS A 69 -1.346 -12.758 -11.607 1.00 41.34 H new ATOM 0 HZ1 LYS A 69 -0.005 -10.727 -11.990 1.00 65.32 H new ATOM 0 HZ2 LYS A 69 -0.670 -10.830 -10.431 1.00 65.32 H new ATOM 0 HZ3 LYS A 69 0.977 -11.163 -10.675 1.00 65.32 H new ATOM 1133 N GLN A 70 -3.064 -13.255 -5.754 1.00 15.42 N ATOM 1134 CA GLN A 70 -4.430 -12.805 -5.526 1.00 72.22 C ATOM 1135 C GLN A 70 -4.457 -11.848 -4.341 1.00 73.44 C ATOM 1136 O GLN A 70 -5.007 -10.757 -4.468 1.00 2.02 O ATOM 1137 CB GLN A 70 -5.360 -14.002 -5.288 1.00 55.12 C ATOM 1138 CG GLN A 70 -6.851 -13.653 -5.191 1.00 63.14 C ATOM 1139 CD GLN A 70 -7.425 -12.921 -6.407 1.00 25.15 C ATOM 1140 OE1 GLN A 70 -7.466 -13.442 -7.518 1.00 54.22 O ATOM 1141 NE2 GLN A 70 -7.904 -11.698 -6.250 1.00 61.54 N ATOM 0 H GLN A 70 -2.939 -14.253 -5.586 1.00 15.42 H new ATOM 0 HA GLN A 70 -4.788 -12.279 -6.411 1.00 72.22 H new ATOM 0 HB2 GLN A 70 -5.221 -14.718 -6.098 1.00 55.12 H new ATOM 0 HB3 GLN A 70 -5.058 -14.501 -4.367 1.00 55.12 H new ATOM 0 HG2 GLN A 70 -7.415 -14.573 -5.040 1.00 63.14 H new ATOM 0 HG3 GLN A 70 -7.007 -13.035 -4.307 1.00 63.14 H new ATOM 0 HE21 GLN A 70 -7.876 -11.253 -5.332 1.00 61.54 H new ATOM 0 HE22 GLN A 70 -8.301 -11.200 -7.046 1.00 61.54 H new ATOM 1150 N TRP A 71 -3.847 -12.201 -3.206 1.00 63.41 N ATOM 1151 CA TRP A 71 -3.728 -11.283 -2.089 1.00 1.41 C ATOM 1152 C TRP A 71 -2.952 -10.039 -2.502 1.00 43.13 C ATOM 1153 O TRP A 71 -3.367 -8.937 -2.147 1.00 3.23 O ATOM 1154 CB TRP A 71 -3.112 -11.962 -0.867 1.00 34.40 C ATOM 1155 CG TRP A 71 -4.047 -12.840 -0.110 1.00 43.52 C ATOM 1156 CD1 TRP A 71 -3.920 -14.167 0.112 1.00 51.30 C ATOM 1157 CD2 TRP A 71 -5.226 -12.423 0.635 1.00 15.24 C ATOM 1158 NE1 TRP A 71 -4.935 -14.594 0.944 1.00 63.04 N ATOM 1159 CE2 TRP A 71 -5.768 -13.555 1.303 1.00 61.24 C ATOM 1160 CE3 TRP A 71 -5.868 -11.183 0.832 1.00 64.35 C ATOM 1161 CZ2 TRP A 71 -6.898 -13.448 2.128 1.00 11.21 C ATOM 1162 CZ3 TRP A 71 -6.976 -11.059 1.683 1.00 70.25 C ATOM 1163 CH2 TRP A 71 -7.486 -12.191 2.334 1.00 10.30 C ATOM 0 H TRP A 71 -3.430 -13.118 -3.044 1.00 63.41 H new ATOM 0 HA TRP A 71 -4.730 -10.969 -1.798 1.00 1.41 H new ATOM 0 HB2 TRP A 71 -2.257 -12.556 -1.190 1.00 34.40 H new ATOM 0 HB3 TRP A 71 -2.730 -11.194 -0.194 1.00 34.40 H new ATOM 0 HD1 TRP A 71 -3.144 -14.796 -0.298 1.00 51.30 H new ATOM 0 HE1 TRP A 71 -5.054 -15.558 1.255 1.00 63.04 H new ATOM 0 HE3 TRP A 71 -5.498 -10.309 0.316 1.00 64.35 H new ATOM 0 HZ2 TRP A 71 -7.312 -14.326 2.601 1.00 11.21 H new ATOM 0 HZ3 TRP A 71 -7.435 -10.094 1.836 1.00 70.25 H new ATOM 0 HH2 TRP A 71 -8.334 -12.095 2.996 1.00 10.30 H new ATOM 1174 N ARG A 72 -1.890 -10.168 -3.311 1.00 1.43 N ATOM 1175 CA ARG A 72 -1.129 -8.991 -3.738 1.00 44.24 C ATOM 1176 C ARG A 72 -2.053 -7.993 -4.462 1.00 25.40 C ATOM 1177 O ARG A 72 -1.974 -6.793 -4.201 1.00 72.43 O ATOM 1178 CB ARG A 72 0.117 -9.374 -4.555 1.00 20.22 C ATOM 1179 CG ARG A 72 0.891 -8.195 -5.168 1.00 24.51 C ATOM 1180 CD ARG A 72 2.382 -8.530 -5.375 1.00 4.10 C ATOM 1181 NE ARG A 72 3.239 -7.971 -4.309 1.00 14.41 N ATOM 1182 CZ ARG A 72 4.504 -8.319 -4.029 1.00 35.32 C ATOM 1183 NH1 ARG A 72 5.000 -9.479 -4.438 1.00 54.04 N1+ ATOM 1184 NH2 ARG A 72 5.281 -7.493 -3.340 1.00 74.24 N ATOM 0 H ARG A 72 -1.546 -11.057 -3.675 1.00 1.43 H new ATOM 0 HA ARG A 72 -0.743 -8.486 -2.852 1.00 44.24 H new ATOM 0 HB2 ARG A 72 0.794 -9.936 -3.912 1.00 20.22 H new ATOM 0 HB3 ARG A 72 -0.188 -10.044 -5.359 1.00 20.22 H new ATOM 0 HG2 ARG A 72 0.444 -7.925 -6.125 1.00 24.51 H new ATOM 0 HG3 ARG A 72 0.802 -7.325 -4.518 1.00 24.51 H new ATOM 0 HD2 ARG A 72 2.507 -9.612 -5.408 1.00 4.10 H new ATOM 0 HD3 ARG A 72 2.708 -8.142 -6.340 1.00 4.10 H new ATOM 0 HE ARG A 72 2.825 -7.244 -3.725 1.00 14.41 H new ATOM 0 HH11 ARG A 72 4.417 -10.122 -4.974 1.00 54.04 H new ATOM 0 HH12 ARG A 72 5.964 -9.728 -4.216 1.00 54.04 H new ATOM 0 HH21 ARG A 72 4.916 -6.594 -3.024 1.00 74.24 H new ATOM 0 HH22 ARG A 72 6.243 -7.757 -3.127 1.00 74.24 H new ATOM 1198 N LYS A 73 -2.938 -8.433 -5.364 1.00 64.24 N ATOM 1199 CA LYS A 73 -3.911 -7.530 -5.985 1.00 2.53 C ATOM 1200 C LYS A 73 -4.990 -7.093 -4.987 1.00 1.23 C ATOM 1201 O LYS A 73 -5.289 -5.904 -4.939 1.00 55.21 O ATOM 1202 CB LYS A 73 -4.477 -8.080 -7.310 1.00 34.23 C ATOM 1203 CG LYS A 73 -5.213 -9.427 -7.234 1.00 63.11 C ATOM 1204 CD LYS A 73 -5.884 -9.845 -8.549 1.00 42.23 C ATOM 1205 CE LYS A 73 -4.883 -10.184 -9.661 1.00 22.32 C ATOM 1206 NZ LYS A 73 -5.576 -10.547 -10.917 1.00 41.12 N1+ ATOM 0 H LYS A 73 -3.000 -9.402 -5.678 1.00 64.24 H new ATOM 0 HA LYS A 73 -3.375 -6.624 -6.269 1.00 2.53 H new ATOM 0 HB2 LYS A 73 -5.162 -7.339 -7.722 1.00 34.23 H new ATOM 0 HB3 LYS A 73 -3.654 -8.180 -8.017 1.00 34.23 H new ATOM 0 HG2 LYS A 73 -4.505 -10.200 -6.937 1.00 63.11 H new ATOM 0 HG3 LYS A 73 -5.971 -9.372 -6.452 1.00 63.11 H new ATOM 0 HD2 LYS A 73 -6.519 -10.712 -8.365 1.00 42.23 H new ATOM 0 HD3 LYS A 73 -6.535 -9.039 -8.889 1.00 42.23 H new ATOM 0 HE2 LYS A 73 -4.230 -9.330 -9.838 1.00 22.32 H new ATOM 0 HE3 LYS A 73 -4.248 -11.010 -9.342 1.00 22.32 H new ATOM 0 HZ1 LYS A 73 -4.872 -10.771 -11.649 1.00 41.12 H new ATOM 0 HZ2 LYS A 73 -6.181 -11.377 -10.753 1.00 41.12 H new ATOM 0 HZ3 LYS A 73 -6.163 -9.749 -11.233 1.00 41.12 H new ATOM 1220 N ASN A 74 -5.546 -8.000 -4.175 1.00 53.23 N ATOM 1221 CA ASN A 74 -6.631 -7.705 -3.236 1.00 31.13 C ATOM 1222 C ASN A 74 -6.238 -6.580 -2.290 1.00 50.53 C ATOM 1223 O ASN A 74 -7.015 -5.650 -2.084 1.00 74.44 O ATOM 1224 CB ASN A 74 -7.034 -8.941 -2.409 1.00 21.11 C ATOM 1225 CG ASN A 74 -7.832 -9.985 -3.184 1.00 15.34 C ATOM 1226 OD1 ASN A 74 -8.415 -9.701 -4.227 1.00 63.22 O ATOM 1227 ND2 ASN A 74 -7.895 -11.215 -2.701 1.00 4.44 N ATOM 0 H ASN A 74 -5.248 -8.975 -4.153 1.00 53.23 H new ATOM 0 HA ASN A 74 -7.487 -7.398 -3.837 1.00 31.13 H new ATOM 0 HB2 ASN A 74 -6.132 -9.410 -2.015 1.00 21.11 H new ATOM 0 HB3 ASN A 74 -7.623 -8.614 -1.552 1.00 21.11 H new ATOM 0 HD21 ASN A 74 -8.429 -11.930 -3.195 1.00 4.44 H new ATOM 0 HD22 ASN A 74 -7.410 -11.448 -1.835 1.00 4.44 H new ATOM 1234 N LEU A 75 -5.041 -6.662 -1.706 1.00 65.10 N ATOM 1235 CA LEU A 75 -4.542 -5.639 -0.798 1.00 4.53 C ATOM 1236 C LEU A 75 -4.427 -4.305 -1.527 1.00 24.52 C ATOM 1237 O LEU A 75 -4.864 -3.289 -1.003 1.00 41.55 O ATOM 1238 CB LEU A 75 -3.188 -6.052 -0.189 1.00 10.04 C ATOM 1239 CG LEU A 75 -3.264 -6.806 1.153 1.00 13.31 C ATOM 1240 CD1 LEU A 75 -3.866 -5.928 2.248 1.00 32.35 C ATOM 1241 CD2 LEU A 75 -4.037 -8.123 1.089 1.00 54.21 C ATOM 0 H LEU A 75 -4.396 -7.438 -1.851 1.00 65.10 H new ATOM 0 HA LEU A 75 -5.251 -5.528 0.022 1.00 4.53 H new ATOM 0 HB2 LEU A 75 -2.663 -6.680 -0.909 1.00 10.04 H new ATOM 0 HB3 LEU A 75 -2.585 -5.155 -0.048 1.00 10.04 H new ATOM 0 HG LEU A 75 -2.229 -7.052 1.391 1.00 13.31 H new ATOM 0 HD11 LEU A 75 -3.906 -6.488 3.182 1.00 32.35 H new ATOM 0 HD12 LEU A 75 -3.248 -5.040 2.383 1.00 32.35 H new ATOM 0 HD13 LEU A 75 -4.874 -5.628 1.961 1.00 32.35 H new ATOM 0 HD21 LEU A 75 -4.043 -8.590 2.074 1.00 54.21 H new ATOM 0 HD22 LEU A 75 -5.062 -7.928 0.774 1.00 54.21 H new ATOM 0 HD23 LEU A 75 -3.558 -8.792 0.374 1.00 54.21 H new ATOM 1253 N TRP A 76 -3.890 -4.288 -2.749 1.00 13.51 N ATOM 1254 CA TRP A 76 -3.793 -3.061 -3.522 1.00 2.42 C ATOM 1255 C TRP A 76 -5.158 -2.436 -3.832 1.00 30.11 C ATOM 1256 O TRP A 76 -5.248 -1.212 -3.866 1.00 22.05 O ATOM 1257 CB TRP A 76 -2.947 -3.306 -4.778 1.00 34.53 C ATOM 1258 CG TRP A 76 -1.478 -3.112 -4.548 1.00 52.32 C ATOM 1259 CD1 TRP A 76 -0.505 -3.972 -4.919 1.00 3.24 C ATOM 1260 CD2 TRP A 76 -0.793 -1.990 -3.898 1.00 74.43 C ATOM 1261 NE1 TRP A 76 0.706 -3.518 -4.444 1.00 61.30 N ATOM 1262 CE2 TRP A 76 0.598 -2.287 -3.836 1.00 73.42 C ATOM 1263 CE3 TRP A 76 -1.198 -0.747 -3.366 1.00 24.41 C ATOM 1264 CZ2 TRP A 76 1.534 -1.408 -3.265 1.00 54.25 C ATOM 1265 CZ3 TRP A 76 -0.268 0.162 -2.814 1.00 54.41 C ATOM 1266 CH2 TRP A 76 1.101 -0.178 -2.752 1.00 33.11 C ATOM 0 H TRP A 76 -3.517 -5.113 -3.219 1.00 13.51 H new ATOM 0 HA TRP A 76 -3.286 -2.315 -2.910 1.00 2.42 H new ATOM 0 HB2 TRP A 76 -3.122 -4.322 -5.133 1.00 34.53 H new ATOM 0 HB3 TRP A 76 -3.277 -2.631 -5.568 1.00 34.53 H new ATOM 0 HD1 TRP A 76 -0.653 -4.873 -5.496 1.00 3.24 H new ATOM 0 HE1 TRP A 76 1.581 -4.034 -4.532 1.00 61.30 H new ATOM 0 HE3 TRP A 76 -2.245 -0.484 -3.381 1.00 24.41 H new ATOM 0 HZ2 TRP A 76 2.579 -1.678 -3.222 1.00 54.25 H new ATOM 0 HZ3 TRP A 76 -0.604 1.117 -2.439 1.00 54.41 H new ATOM 0 HH2 TRP A 76 1.811 0.506 -2.311 1.00 33.11 H new ATOM 1277 N ILE A 77 -6.209 -3.238 -4.027 1.00 1.43 N ATOM 1278 CA ILE A 77 -7.574 -2.736 -4.194 1.00 32.02 C ATOM 1279 C ILE A 77 -8.019 -2.078 -2.883 1.00 35.11 C ATOM 1280 O ILE A 77 -8.575 -0.980 -2.900 1.00 41.01 O ATOM 1281 CB ILE A 77 -8.522 -3.874 -4.650 1.00 24.14 C ATOM 1282 CG1 ILE A 77 -8.082 -4.423 -6.023 1.00 65.31 C ATOM 1283 CG2 ILE A 77 -9.982 -3.405 -4.750 1.00 5.42 C ATOM 1284 CD1 ILE A 77 -8.636 -5.811 -6.364 1.00 32.44 C ATOM 0 H ILE A 77 -6.136 -4.254 -4.073 1.00 1.43 H new ATOM 0 HA ILE A 77 -7.609 -1.982 -4.980 1.00 32.02 H new ATOM 0 HB ILE A 77 -8.461 -4.657 -3.894 1.00 24.14 H new ATOM 0 HG12 ILE A 77 -8.394 -3.722 -6.797 1.00 65.31 H new ATOM 0 HG13 ILE A 77 -6.993 -4.464 -6.051 1.00 65.31 H new ATOM 0 HG21 ILE A 77 -10.610 -4.236 -5.073 1.00 5.42 H new ATOM 0 HG22 ILE A 77 -10.319 -3.053 -3.775 1.00 5.42 H new ATOM 0 HG23 ILE A 77 -10.055 -2.593 -5.473 1.00 5.42 H new ATOM 0 HD11 ILE A 77 -8.275 -6.116 -7.346 1.00 32.44 H new ATOM 0 HD12 ILE A 77 -8.302 -6.530 -5.616 1.00 32.44 H new ATOM 0 HD13 ILE A 77 -9.725 -5.776 -6.373 1.00 32.44 H new ATOM 1296 N PHE A 78 -7.767 -2.741 -1.751 1.00 63.05 N ATOM 1297 CA PHE A 78 -8.142 -2.239 -0.432 1.00 71.52 C ATOM 1298 C PHE A 78 -7.505 -0.884 -0.117 1.00 63.24 C ATOM 1299 O PHE A 78 -8.161 -0.024 0.471 1.00 12.03 O ATOM 1300 CB PHE A 78 -7.764 -3.246 0.664 1.00 45.03 C ATOM 1301 CG PHE A 78 -8.180 -2.779 2.043 1.00 51.35 C ATOM 1302 CD1 PHE A 78 -9.547 -2.617 2.336 1.00 64.41 C ATOM 1303 CD2 PHE A 78 -7.212 -2.472 3.020 1.00 11.10 C ATOM 1304 CE1 PHE A 78 -9.954 -2.135 3.589 1.00 14.45 C ATOM 1305 CE2 PHE A 78 -7.629 -1.998 4.276 1.00 12.10 C ATOM 1306 CZ PHE A 78 -8.990 -1.814 4.555 1.00 25.55 C ATOM 0 H PHE A 78 -7.295 -3.645 -1.727 1.00 63.05 H new ATOM 0 HA PHE A 78 -9.224 -2.105 -0.451 1.00 71.52 H new ATOM 0 HB2 PHE A 78 -8.235 -4.206 0.451 1.00 45.03 H new ATOM 0 HB3 PHE A 78 -6.686 -3.409 0.648 1.00 45.03 H new ATOM 0 HD1 PHE A 78 -10.288 -2.866 1.591 1.00 64.41 H new ATOM 0 HD2 PHE A 78 -6.161 -2.600 2.806 1.00 11.10 H new ATOM 0 HE1 PHE A 78 -11.004 -2.012 3.808 1.00 14.45 H new ATOM 0 HE2 PHE A 78 -6.893 -1.773 5.034 1.00 12.10 H new ATOM 0 HZ PHE A 78 -9.296 -1.425 5.515 1.00 25.55 H new ATOM 1316 N VAL A 79 -6.225 -0.703 -0.451 1.00 42.13 N ATOM 1317 CA VAL A 79 -5.530 0.550 -0.182 1.00 72.11 C ATOM 1318 C VAL A 79 -6.244 1.687 -0.915 1.00 63.14 C ATOM 1319 O VAL A 79 -6.551 2.684 -0.266 1.00 61.34 O ATOM 1320 CB VAL A 79 -4.038 0.482 -0.556 1.00 54.40 C ATOM 1321 CG1 VAL A 79 -3.314 1.820 -0.316 1.00 35.12 C ATOM 1322 CG2 VAL A 79 -3.292 -0.559 0.282 1.00 22.13 C ATOM 0 H VAL A 79 -5.652 -1.412 -0.909 1.00 42.13 H new ATOM 0 HA VAL A 79 -5.560 0.740 0.891 1.00 72.11 H new ATOM 0 HB VAL A 79 -4.025 0.222 -1.614 1.00 54.40 H new ATOM 0 HG11 VAL A 79 -2.265 1.721 -0.595 1.00 35.12 H new ATOM 0 HG12 VAL A 79 -3.778 2.599 -0.921 1.00 35.12 H new ATOM 0 HG13 VAL A 79 -3.386 2.089 0.738 1.00 35.12 H new ATOM 0 HG21 VAL A 79 -2.242 -0.578 -0.011 1.00 22.13 H new ATOM 0 HG22 VAL A 79 -3.370 -0.300 1.338 1.00 22.13 H new ATOM 0 HG23 VAL A 79 -3.732 -1.542 0.117 1.00 22.13 H new ATOM 1332 N SER A 80 -6.539 1.525 -2.214 1.00 34.12 N ATOM 1333 CA SER A 80 -7.155 2.556 -3.052 1.00 61.41 C ATOM 1334 C SER A 80 -8.478 3.108 -2.519 1.00 21.53 C ATOM 1335 O SER A 80 -8.842 4.225 -2.876 1.00 43.34 O ATOM 1336 CB SER A 80 -7.369 2.029 -4.468 1.00 54.34 C ATOM 1337 OG SER A 80 -6.123 1.844 -5.107 1.00 43.03 O ATOM 0 H SER A 80 -6.351 0.658 -2.717 1.00 34.12 H new ATOM 0 HA SER A 80 -6.449 3.387 -3.043 1.00 61.41 H new ATOM 0 HB2 SER A 80 -7.914 1.086 -4.435 1.00 54.34 H new ATOM 0 HB3 SER A 80 -7.979 2.730 -5.038 1.00 54.34 H new ATOM 0 HG SER A 80 -5.707 2.716 -5.271 1.00 43.03 H new ATOM 1343 N LYS A 81 -9.198 2.375 -1.667 1.00 14.35 N ATOM 1344 CA LYS A 81 -10.444 2.892 -1.089 1.00 53.15 C ATOM 1345 C LYS A 81 -10.155 4.061 -0.147 1.00 44.31 C ATOM 1346 O LYS A 81 -10.990 4.948 0.015 1.00 0.54 O ATOM 1347 CB LYS A 81 -11.170 1.770 -0.346 1.00 41.41 C ATOM 1348 CG LYS A 81 -11.555 0.625 -1.289 1.00 35.41 C ATOM 1349 CD LYS A 81 -11.983 -0.583 -0.458 1.00 70.23 C ATOM 1350 CE LYS A 81 -12.303 -1.799 -1.337 1.00 21.01 C ATOM 1351 NZ LYS A 81 -13.356 -1.513 -2.330 1.00 70.41 N1+ ATOM 0 H LYS A 81 -8.946 1.434 -1.364 1.00 14.35 H new ATOM 0 HA LYS A 81 -11.083 3.257 -1.893 1.00 53.15 H new ATOM 0 HB2 LYS A 81 -10.531 1.387 0.450 1.00 41.41 H new ATOM 0 HB3 LYS A 81 -12.067 2.168 0.129 1.00 41.41 H new ATOM 0 HG2 LYS A 81 -12.367 0.936 -1.947 1.00 35.41 H new ATOM 0 HG3 LYS A 81 -10.711 0.363 -1.927 1.00 35.41 H new ATOM 0 HD2 LYS A 81 -11.189 -0.841 0.243 1.00 70.23 H new ATOM 0 HD3 LYS A 81 -12.860 -0.323 0.135 1.00 70.23 H new ATOM 0 HE2 LYS A 81 -11.398 -2.119 -1.853 1.00 21.01 H new ATOM 0 HE3 LYS A 81 -12.619 -2.628 -0.704 1.00 21.01 H new ATOM 0 HZ1 LYS A 81 -13.633 -2.395 -2.807 1.00 70.41 H new ATOM 0 HZ2 LYS A 81 -14.183 -1.104 -1.851 1.00 70.41 H new ATOM 0 HZ3 LYS A 81 -12.995 -0.838 -3.034 1.00 70.41 H new ATOM 1365 N PHE A 82 -8.987 4.023 0.490 1.00 71.53 N ATOM 1366 CA PHE A 82 -8.418 5.023 1.381 1.00 3.11 C ATOM 1367 C PHE A 82 -7.353 5.885 0.686 1.00 61.04 C ATOM 1368 O PHE A 82 -6.397 6.281 1.350 1.00 45.15 O ATOM 1369 CB PHE A 82 -7.823 4.306 2.612 1.00 72.45 C ATOM 1370 CG PHE A 82 -8.866 3.744 3.550 1.00 40.53 C ATOM 1371 CD1 PHE A 82 -9.637 2.637 3.168 1.00 43.53 C ATOM 1372 CD2 PHE A 82 -9.104 4.363 4.789 1.00 61.03 C ATOM 1373 CE1 PHE A 82 -10.688 2.189 3.975 1.00 11.10 C ATOM 1374 CE2 PHE A 82 -10.143 3.904 5.618 1.00 43.31 C ATOM 1375 CZ PHE A 82 -10.952 2.826 5.204 1.00 61.24 C ATOM 0 H PHE A 82 -8.364 3.222 0.385 1.00 71.53 H new ATOM 0 HA PHE A 82 -9.211 5.704 1.689 1.00 3.11 H new ATOM 0 HB2 PHE A 82 -7.178 3.496 2.273 1.00 72.45 H new ATOM 0 HB3 PHE A 82 -7.193 5.007 3.161 1.00 72.45 H new ATOM 0 HD1 PHE A 82 -9.417 2.126 2.242 1.00 43.53 H new ATOM 0 HD2 PHE A 82 -8.488 5.192 5.105 1.00 61.03 H new ATOM 0 HE1 PHE A 82 -11.297 1.356 3.656 1.00 11.10 H new ATOM 0 HE2 PHE A 82 -10.321 4.377 6.572 1.00 43.31 H new ATOM 0 HZ PHE A 82 -11.769 2.490 5.825 1.00 61.24 H new ATOM 1385 N THR A 83 -7.443 6.180 -0.611 1.00 61.12 N ATOM 1386 CA THR A 83 -6.583 7.205 -1.201 1.00 12.22 C ATOM 1387 C THR A 83 -7.215 7.758 -2.479 1.00 51.24 C ATOM 1388 O THR A 83 -8.241 7.269 -2.942 1.00 21.11 O ATOM 1389 CB THR A 83 -5.149 6.653 -1.377 1.00 21.14 C ATOM 1390 OG1 THR A 83 -4.264 7.606 -1.926 1.00 14.11 O ATOM 1391 CG2 THR A 83 -5.079 5.377 -2.201 1.00 21.44 C ATOM 0 H THR A 83 -8.089 5.734 -1.262 1.00 61.12 H new ATOM 0 HA THR A 83 -6.492 8.060 -0.531 1.00 12.22 H new ATOM 0 HB THR A 83 -4.833 6.413 -0.362 1.00 21.14 H new ATOM 0 HG1 THR A 83 -4.324 8.441 -1.416 1.00 14.11 H new ATOM 0 HG21 THR A 83 -4.042 5.051 -2.280 1.00 21.44 H new ATOM 0 HG22 THR A 83 -5.668 4.598 -1.716 1.00 21.44 H new ATOM 0 HG23 THR A 83 -5.477 5.565 -3.198 1.00 21.44 H new ATOM 1399 N GLU A 84 -6.602 8.793 -3.052 1.00 33.14 N ATOM 1400 CA GLU A 84 -6.890 9.306 -4.388 1.00 74.01 C ATOM 1401 C GLU A 84 -6.253 8.424 -5.476 1.00 43.32 C ATOM 1402 O GLU A 84 -6.503 8.655 -6.660 1.00 63.43 O ATOM 1403 CB GLU A 84 -6.324 10.730 -4.522 1.00 14.25 C ATOM 1404 CG GLU A 84 -6.922 11.749 -3.532 1.00 22.52 C ATOM 1405 CD GLU A 84 -6.247 13.125 -3.606 1.00 53.53 C ATOM 1406 OE1 GLU A 84 -5.141 13.233 -4.192 1.00 3.33 O ATOM 1407 OE2 GLU A 84 -6.780 14.087 -3.014 1.00 15.35 O1- ATOM 0 H GLU A 84 -5.864 9.316 -2.580 1.00 33.14 H new ATOM 0 HA GLU A 84 -7.972 9.305 -4.522 1.00 74.01 H new ATOM 0 HB2 GLU A 84 -5.244 10.694 -4.379 1.00 14.25 H new ATOM 0 HB3 GLU A 84 -6.499 11.083 -5.538 1.00 14.25 H new ATOM 0 HG2 GLU A 84 -7.987 11.862 -3.734 1.00 22.52 H new ATOM 0 HG3 GLU A 84 -6.830 11.359 -2.518 1.00 22.52 H new ATOM 1414 N PHE A 85 -5.396 7.463 -5.116 1.00 73.53 N ATOM 1415 CA PHE A 85 -4.559 6.724 -6.051 1.00 60.43 C ATOM 1416 C PHE A 85 -5.132 5.338 -6.331 1.00 31.05 C ATOM 1417 O PHE A 85 -5.114 4.448 -5.472 1.00 71.34 O ATOM 1418 CB PHE A 85 -3.116 6.680 -5.534 1.00 20.01 C ATOM 1419 CG PHE A 85 -2.411 8.012 -5.698 1.00 53.30 C ATOM 1420 CD1 PHE A 85 -1.885 8.354 -6.956 1.00 1.42 C ATOM 1421 CD2 PHE A 85 -2.330 8.932 -4.636 1.00 44.43 C ATOM 1422 CE1 PHE A 85 -1.224 9.582 -7.136 1.00 70.20 C ATOM 1423 CE2 PHE A 85 -1.720 10.184 -4.831 1.00 63.20 C ATOM 1424 CZ PHE A 85 -1.147 10.500 -6.074 1.00 71.12 C ATOM 0 H PHE A 85 -5.266 7.176 -4.146 1.00 73.53 H new ATOM 0 HA PHE A 85 -4.548 7.242 -7.010 1.00 60.43 H new ATOM 0 HB2 PHE A 85 -3.117 6.398 -4.481 1.00 20.01 H new ATOM 0 HB3 PHE A 85 -2.563 5.909 -6.070 1.00 20.01 H new ATOM 0 HD1 PHE A 85 -1.989 7.672 -7.787 1.00 1.42 H new ATOM 0 HD2 PHE A 85 -2.737 8.676 -3.669 1.00 44.43 H new ATOM 0 HE1 PHE A 85 -0.776 9.820 -8.089 1.00 70.20 H new ATOM 0 HE2 PHE A 85 -1.692 10.903 -4.025 1.00 63.20 H new ATOM 0 HZ PHE A 85 -0.648 11.447 -6.214 1.00 71.12 H new ATOM 1434 N ASP A 86 -5.592 5.140 -7.569 1.00 63.21 N ATOM 1435 CA ASP A 86 -5.977 3.817 -8.050 1.00 42.44 C ATOM 1436 C ASP A 86 -4.766 2.895 -7.979 1.00 50.23 C ATOM 1437 O ASP A 86 -3.617 3.311 -8.162 1.00 3.02 O ATOM 1438 CB ASP A 86 -6.470 3.827 -9.505 1.00 35.42 C ATOM 1439 CG ASP A 86 -7.954 4.128 -9.718 1.00 61.50 C ATOM 1440 OD1 ASP A 86 -8.446 5.176 -9.244 1.00 54.44 O ATOM 1441 OD2 ASP A 86 -8.604 3.327 -10.424 1.00 23.14 O1- ATOM 0 H ASP A 86 -5.706 5.885 -8.257 1.00 63.21 H new ATOM 0 HA ASP A 86 -6.796 3.475 -7.416 1.00 42.44 H new ATOM 0 HB2 ASP A 86 -5.889 4.565 -10.058 1.00 35.42 H new ATOM 0 HB3 ASP A 86 -6.252 2.855 -9.946 1.00 35.42 H new ATOM 1446 N ALA A 87 -5.047 1.603 -7.842 1.00 34.50 N ATOM 1447 CA ALA A 87 -4.067 0.545 -7.623 1.00 54.34 C ATOM 1448 C ALA A 87 -3.016 0.520 -8.737 1.00 42.15 C ATOM 1449 O ALA A 87 -1.839 0.223 -8.508 1.00 54.10 O ATOM 1450 CB ALA A 87 -4.794 -0.796 -7.538 1.00 13.05 C ATOM 0 H ALA A 87 -6.003 1.250 -7.882 1.00 34.50 H new ATOM 0 HA ALA A 87 -3.542 0.737 -6.688 1.00 54.34 H new ATOM 0 HB1 ALA A 87 -4.069 -1.593 -7.374 1.00 13.05 H new ATOM 0 HB2 ALA A 87 -5.502 -0.774 -6.710 1.00 13.05 H new ATOM 0 HB3 ALA A 87 -5.330 -0.979 -8.469 1.00 13.05 H new ATOM 1456 N ARG A 88 -3.448 0.846 -9.959 1.00 54.42 N ATOM 1457 CA ARG A 88 -2.607 0.939 -11.143 1.00 71.23 C ATOM 1458 C ARG A 88 -1.492 1.961 -10.943 1.00 35.22 C ATOM 1459 O ARG A 88 -0.354 1.684 -11.326 1.00 74.21 O ATOM 1460 CB ARG A 88 -3.469 1.269 -12.371 1.00 33.21 C ATOM 1461 CG ARG A 88 -4.476 0.152 -12.671 1.00 42.33 C ATOM 1462 CD ARG A 88 -5.299 0.440 -13.926 1.00 12.42 C ATOM 1463 NE ARG A 88 -6.265 -0.648 -14.154 1.00 52.53 N ATOM 1464 CZ ARG A 88 -6.025 -1.818 -14.747 1.00 51.53 C ATOM 1465 NH1 ARG A 88 -4.861 -2.056 -15.356 1.00 3.04 N1+ ATOM 1466 NH2 ARG A 88 -6.940 -2.781 -14.689 1.00 13.42 N ATOM 0 H ARG A 88 -4.427 1.058 -10.151 1.00 54.42 H new ATOM 0 HA ARG A 88 -2.128 -0.025 -11.314 1.00 71.23 H new ATOM 0 HB2 ARG A 88 -4.002 2.204 -12.201 1.00 33.21 H new ATOM 0 HB3 ARG A 88 -2.826 1.422 -13.237 1.00 33.21 H new ATOM 0 HG2 ARG A 88 -3.944 -0.791 -12.796 1.00 42.33 H new ATOM 0 HG3 ARG A 88 -5.145 0.030 -11.819 1.00 42.33 H new ATOM 0 HD2 ARG A 88 -5.825 1.388 -13.816 1.00 12.42 H new ATOM 0 HD3 ARG A 88 -4.640 0.539 -14.789 1.00 12.42 H new ATOM 0 HE ARG A 88 -7.217 -0.490 -13.824 1.00 52.53 H new ATOM 0 HH11 ARG A 88 -4.138 -1.337 -15.373 1.00 3.04 H new ATOM 0 HH12 ARG A 88 -4.695 -2.957 -15.804 1.00 3.04 H new ATOM 0 HH21 ARG A 88 -7.817 -2.622 -14.194 1.00 13.42 H new ATOM 0 HH22 ARG A 88 -6.765 -3.679 -15.140 1.00 13.42 H new ATOM 1480 N LYS A 89 -1.780 3.108 -10.324 1.00 15.10 N ATOM 1481 CA LYS A 89 -0.759 4.082 -9.966 1.00 14.14 C ATOM 1482 C LYS A 89 0.014 3.562 -8.764 1.00 2.34 C ATOM 1483 O LYS A 89 1.246 3.527 -8.817 1.00 51.34 O ATOM 1484 CB LYS A 89 -1.356 5.470 -9.644 1.00 41.42 C ATOM 1485 CG LYS A 89 -2.114 6.186 -10.776 1.00 43.13 C ATOM 1486 CD LYS A 89 -3.575 5.741 -10.940 1.00 64.32 C ATOM 1487 CE LYS A 89 -4.367 6.619 -11.921 1.00 13.54 C ATOM 1488 NZ LYS A 89 -4.864 7.878 -11.319 1.00 75.22 N1+ ATOM 0 H LYS A 89 -2.726 3.383 -10.060 1.00 15.10 H new ATOM 0 HA LYS A 89 -0.099 4.210 -10.824 1.00 14.14 H new ATOM 0 HB2 LYS A 89 -2.036 5.358 -8.799 1.00 41.42 H new ATOM 0 HB3 LYS A 89 -0.544 6.120 -9.316 1.00 41.42 H new ATOM 0 HG2 LYS A 89 -2.092 7.260 -10.589 1.00 43.13 H new ATOM 0 HG3 LYS A 89 -1.587 6.015 -11.715 1.00 43.13 H new ATOM 0 HD2 LYS A 89 -3.597 4.708 -11.287 1.00 64.32 H new ATOM 0 HD3 LYS A 89 -4.066 5.761 -9.967 1.00 64.32 H new ATOM 0 HE2 LYS A 89 -3.733 6.859 -12.774 1.00 13.54 H new ATOM 0 HE3 LYS A 89 -5.214 6.049 -12.304 1.00 13.54 H new ATOM 0 HZ1 LYS A 89 -5.388 8.421 -12.034 1.00 75.22 H new ATOM 0 HZ2 LYS A 89 -5.494 7.657 -10.522 1.00 75.22 H new ATOM 0 HZ3 LYS A 89 -4.059 8.441 -10.978 1.00 75.22 H new ATOM 1502 N LEU A 90 -0.699 3.170 -7.697 1.00 2.34 N ATOM 1503 CA LEU A 90 -0.132 2.880 -6.381 1.00 62.33 C ATOM 1504 C LEU A 90 1.079 1.961 -6.485 1.00 70.22 C ATOM 1505 O LEU A 90 2.156 2.323 -6.025 1.00 13.11 O ATOM 1506 CB LEU A 90 -1.143 2.207 -5.433 1.00 42.24 C ATOM 1507 CG LEU A 90 -2.015 3.109 -4.545 1.00 14.23 C ATOM 1508 CD1 LEU A 90 -3.090 2.295 -3.824 1.00 34.32 C ATOM 1509 CD2 LEU A 90 -1.254 3.979 -3.542 1.00 43.35 C ATOM 0 H LEU A 90 -1.711 3.044 -7.732 1.00 2.34 H new ATOM 0 HA LEU A 90 0.155 3.850 -5.974 1.00 62.33 H new ATOM 0 HB2 LEU A 90 -1.809 1.591 -6.038 1.00 42.24 H new ATOM 0 HB3 LEU A 90 -0.590 1.532 -4.781 1.00 42.24 H new ATOM 0 HG LEU A 90 -2.474 3.809 -5.243 1.00 14.23 H new ATOM 0 HD11 LEU A 90 -3.693 2.958 -3.203 1.00 34.32 H new ATOM 0 HD12 LEU A 90 -3.729 1.805 -4.559 1.00 34.32 H new ATOM 0 HD13 LEU A 90 -2.615 1.541 -3.196 1.00 34.32 H new ATOM 0 HD21 LEU A 90 -1.962 4.575 -2.967 1.00 43.35 H new ATOM 0 HD22 LEU A 90 -0.684 3.341 -2.866 1.00 43.35 H new ATOM 0 HD23 LEU A 90 -0.573 4.641 -4.077 1.00 43.35 H new ATOM 1521 N HIS A 91 0.925 0.741 -7.002 1.00 11.24 N ATOM 1522 CA HIS A 91 1.992 -0.249 -6.838 1.00 44.30 C ATOM 1523 C HIS A 91 3.286 0.193 -7.540 1.00 65.40 C ATOM 1524 O HIS A 91 4.382 -0.153 -7.094 1.00 62.10 O ATOM 1525 CB HIS A 91 1.505 -1.606 -7.354 1.00 74.21 C ATOM 1526 CG HIS A 91 2.306 -2.818 -6.949 1.00 23.33 C ATOM 1527 ND1 HIS A 91 2.045 -4.098 -7.385 1.00 12.20 N ATOM 1528 CD2 HIS A 91 3.270 -2.899 -5.978 1.00 63.15 C ATOM 1529 CE1 HIS A 91 2.816 -4.935 -6.679 1.00 30.45 C ATOM 1530 NE2 HIS A 91 3.559 -4.257 -5.789 1.00 10.32 N ATOM 0 H HIS A 91 0.106 0.422 -7.519 1.00 11.24 H new ATOM 0 HA HIS A 91 2.231 -0.339 -5.778 1.00 44.30 H new ATOM 0 HB2 HIS A 91 0.479 -1.749 -7.016 1.00 74.21 H new ATOM 0 HB3 HIS A 91 1.479 -1.565 -8.443 1.00 74.21 H new ATOM 0 HD2 HIS A 91 3.723 -2.070 -5.455 1.00 63.15 H new ATOM 0 HE1 HIS A 91 2.837 -6.007 -6.808 1.00 30.45 H new ATOM 0 HE2 HIS A 91 4.207 -4.653 -5.108 1.00 10.32 H new ATOM 1538 N LYS A 92 3.179 0.954 -8.636 1.00 0.33 N ATOM 1539 CA LYS A 92 4.344 1.483 -9.338 1.00 62.41 C ATOM 1540 C LYS A 92 4.968 2.608 -8.516 1.00 4.02 C ATOM 1541 O LYS A 92 6.180 2.597 -8.295 1.00 61.24 O ATOM 1542 CB LYS A 92 3.900 1.950 -10.726 1.00 22.30 C ATOM 1543 CG LYS A 92 5.074 2.399 -11.603 1.00 2.40 C ATOM 1544 CD LYS A 92 4.520 2.889 -12.942 1.00 24.33 C ATOM 1545 CE LYS A 92 5.590 2.883 -14.027 1.00 65.23 C ATOM 1546 NZ LYS A 92 5.011 3.077 -15.367 1.00 43.32 N1+ ATOM 0 H LYS A 92 2.287 1.216 -9.055 1.00 0.33 H new ATOM 0 HA LYS A 92 5.110 0.718 -9.465 1.00 62.41 H new ATOM 0 HB2 LYS A 92 3.369 1.139 -11.225 1.00 22.30 H new ATOM 0 HB3 LYS A 92 3.195 2.775 -10.619 1.00 22.30 H new ATOM 0 HG2 LYS A 92 5.632 3.195 -11.110 1.00 2.40 H new ATOM 0 HG3 LYS A 92 5.768 1.573 -11.760 1.00 2.40 H new ATOM 0 HD2 LYS A 92 3.688 2.254 -13.247 1.00 24.33 H new ATOM 0 HD3 LYS A 92 4.125 3.898 -12.826 1.00 24.33 H new ATOM 0 HE2 LYS A 92 6.315 3.672 -13.827 1.00 65.23 H new ATOM 0 HE3 LYS A 92 6.131 1.937 -13.998 1.00 65.23 H new ATOM 0 HZ1 LYS A 92 5.770 3.067 -16.078 1.00 43.32 H new ATOM 0 HZ2 LYS A 92 4.338 2.310 -15.569 1.00 43.32 H new ATOM 0 HZ3 LYS A 92 4.516 3.991 -15.402 1.00 43.32 H new ATOM 1560 N LEU A 93 4.129 3.528 -8.023 1.00 63.33 N ATOM 1561 CA LEU A 93 4.499 4.590 -7.099 1.00 20.11 C ATOM 1562 C LEU A 93 5.296 3.997 -5.946 1.00 43.43 C ATOM 1563 O LEU A 93 6.386 4.500 -5.700 1.00 62.13 O ATOM 1564 CB LEU A 93 3.282 5.394 -6.586 1.00 1.11 C ATOM 1565 CG LEU A 93 2.753 6.436 -7.589 1.00 52.21 C ATOM 1566 CD1 LEU A 93 1.302 6.818 -7.289 1.00 23.33 C ATOM 1567 CD2 LEU A 93 3.601 7.713 -7.580 1.00 24.41 C ATOM 0 H LEU A 93 3.140 3.548 -8.270 1.00 63.33 H new ATOM 0 HA LEU A 93 5.117 5.305 -7.642 1.00 20.11 H new ATOM 0 HB2 LEU A 93 2.478 4.700 -6.341 1.00 1.11 H new ATOM 0 HB3 LEU A 93 3.558 5.902 -5.662 1.00 1.11 H new ATOM 0 HG LEU A 93 2.812 5.968 -8.572 1.00 52.21 H new ATOM 0 HD11 LEU A 93 0.962 7.555 -8.017 1.00 23.33 H new ATOM 0 HD12 LEU A 93 0.672 5.931 -7.350 1.00 23.33 H new ATOM 0 HD13 LEU A 93 1.237 7.241 -6.287 1.00 23.33 H new ATOM 0 HD21 LEU A 93 3.196 8.424 -8.301 1.00 24.41 H new ATOM 0 HD22 LEU A 93 3.582 8.155 -6.584 1.00 24.41 H new ATOM 0 HD23 LEU A 93 4.629 7.469 -7.849 1.00 24.41 H new ATOM 1579 N TYR A 94 4.817 2.931 -5.293 1.00 62.42 N ATOM 1580 CA TYR A 94 5.511 2.252 -4.203 1.00 42.52 C ATOM 1581 C TYR A 94 6.866 1.718 -4.645 1.00 73.20 C ATOM 1582 O TYR A 94 7.870 2.115 -4.055 1.00 63.02 O ATOM 1583 CB TYR A 94 4.653 1.145 -3.574 1.00 5.32 C ATOM 1584 CG TYR A 94 5.406 0.321 -2.547 1.00 33.45 C ATOM 1585 CD1 TYR A 94 6.038 0.960 -1.465 1.00 12.54 C ATOM 1586 CD2 TYR A 94 5.514 -1.070 -2.697 1.00 3.30 C ATOM 1587 CE1 TYR A 94 6.827 0.221 -0.566 1.00 73.21 C ATOM 1588 CE2 TYR A 94 6.305 -1.816 -1.807 1.00 21.21 C ATOM 1589 CZ TYR A 94 7.000 -1.170 -0.761 1.00 54.02 C ATOM 1590 OH TYR A 94 7.815 -1.886 0.055 1.00 52.45 O ATOM 0 H TYR A 94 3.915 2.511 -5.517 1.00 62.42 H new ATOM 0 HA TYR A 94 5.688 3.000 -3.430 1.00 42.52 H new ATOM 0 HB2 TYR A 94 3.780 1.595 -3.101 1.00 5.32 H new ATOM 0 HB3 TYR A 94 4.286 0.487 -4.361 1.00 5.32 H new ATOM 0 HD1 TYR A 94 5.917 2.024 -1.324 1.00 12.54 H new ATOM 0 HD2 TYR A 94 4.988 -1.568 -3.498 1.00 3.30 H new ATOM 0 HE1 TYR A 94 7.300 0.713 0.271 1.00 73.21 H new ATOM 0 HE2 TYR A 94 6.382 -2.887 -1.923 1.00 21.21 H new ATOM 0 HH TYR A 94 7.814 -2.825 -0.224 1.00 52.45 H new ATOM 1600 N LYS A 95 6.907 0.868 -5.684 1.00 41.45 N ATOM 1601 CA LYS A 95 8.172 0.308 -6.199 1.00 54.30 C ATOM 1602 C LYS A 95 9.242 1.405 -6.318 1.00 22.23 C ATOM 1603 O LYS A 95 10.329 1.303 -5.747 1.00 35.23 O ATOM 1604 CB LYS A 95 7.937 -0.414 -7.547 1.00 32.21 C ATOM 1605 CG LYS A 95 9.041 -1.420 -7.930 1.00 61.25 C ATOM 1606 CD LYS A 95 8.738 -2.877 -7.552 1.00 54.15 C ATOM 1607 CE LYS A 95 9.827 -3.856 -8.021 1.00 22.41 C ATOM 1608 NZ LYS A 95 11.054 -3.777 -7.197 1.00 12.11 N1+ ATOM 0 H LYS A 95 6.078 0.552 -6.186 1.00 41.45 H new ATOM 0 HA LYS A 95 8.542 -0.433 -5.490 1.00 54.30 H new ATOM 0 HB2 LYS A 95 6.983 -0.939 -7.503 1.00 32.21 H new ATOM 0 HB3 LYS A 95 7.853 0.333 -8.336 1.00 32.21 H new ATOM 0 HG2 LYS A 95 9.207 -1.365 -9.006 1.00 61.25 H new ATOM 0 HG3 LYS A 95 9.971 -1.119 -7.448 1.00 61.25 H new ATOM 0 HD2 LYS A 95 8.631 -2.952 -6.470 1.00 54.15 H new ATOM 0 HD3 LYS A 95 7.782 -3.169 -7.987 1.00 54.15 H new ATOM 0 HE2 LYS A 95 9.436 -4.873 -7.987 1.00 22.41 H new ATOM 0 HE3 LYS A 95 10.077 -3.645 -9.061 1.00 22.41 H new ATOM 0 HZ1 LYS A 95 11.756 -4.456 -7.554 1.00 12.11 H new ATOM 0 HZ2 LYS A 95 11.445 -2.815 -7.248 1.00 12.11 H new ATOM 0 HZ3 LYS A 95 10.824 -4.005 -6.209 1.00 12.11 H new ATOM 1622 N HIS A 96 8.915 2.503 -7.000 1.00 2.14 N ATOM 1623 CA HIS A 96 9.829 3.626 -7.160 1.00 2.00 C ATOM 1624 C HIS A 96 10.051 4.408 -5.853 1.00 64.43 C ATOM 1625 O HIS A 96 11.171 4.833 -5.578 1.00 42.32 O ATOM 1626 CB HIS A 96 9.327 4.504 -8.314 1.00 24.51 C ATOM 1627 CG HIS A 96 9.887 4.060 -9.648 1.00 14.41 C ATOM 1628 ND1 HIS A 96 10.090 2.759 -10.061 1.00 42.35 N ATOM 1629 CD2 HIS A 96 10.368 4.883 -10.633 1.00 62.44 C ATOM 1630 CE1 HIS A 96 10.649 2.799 -11.277 1.00 43.34 C ATOM 1631 NE2 HIS A 96 10.854 4.069 -11.663 1.00 62.31 N ATOM 0 H HIS A 96 8.011 2.635 -7.454 1.00 2.14 H new ATOM 0 HA HIS A 96 10.820 3.248 -7.413 1.00 2.00 H new ATOM 0 HB2 HIS A 96 8.238 4.470 -8.348 1.00 24.51 H new ATOM 0 HB3 HIS A 96 9.608 5.541 -8.130 1.00 24.51 H new ATOM 0 HD2 HIS A 96 10.371 5.963 -10.617 1.00 62.44 H new ATOM 0 HE1 HIS A 96 10.900 1.930 -11.866 1.00 43.34 H new ATOM 0 HE2 HIS A 96 11.280 4.380 -12.536 1.00 62.31 H new ATOM 1639 N ALA A 97 9.033 4.571 -5.008 1.00 74.32 N ATOM 1640 CA ALA A 97 9.105 5.296 -3.741 1.00 62.11 C ATOM 1641 C ALA A 97 9.961 4.581 -2.700 1.00 21.45 C ATOM 1642 O ALA A 97 10.378 5.236 -1.744 1.00 62.01 O ATOM 1643 CB ALA A 97 7.710 5.544 -3.155 1.00 12.11 C ATOM 0 H ALA A 97 8.105 4.189 -5.193 1.00 74.32 H new ATOM 0 HA ALA A 97 9.578 6.250 -3.976 1.00 62.11 H new ATOM 0 HB1 ALA A 97 7.802 6.085 -2.213 1.00 12.11 H new ATOM 0 HB2 ALA A 97 7.120 6.134 -3.857 1.00 12.11 H new ATOM 0 HB3 ALA A 97 7.215 4.589 -2.978 1.00 12.11 H new ATOM 1649 N ILE A 98 10.259 3.289 -2.871 1.00 4.01 N ATOM 1650 CA ILE A 98 11.309 2.630 -2.103 1.00 65.43 C ATOM 1651 C ILE A 98 12.647 2.698 -2.847 1.00 70.52 C ATOM 1652 O ILE A 98 13.668 2.973 -2.220 1.00 31.14 O ATOM 1653 CB ILE A 98 10.875 1.215 -1.665 1.00 34.23 C ATOM 1654 CG1 ILE A 98 11.879 0.677 -0.626 1.00 72.03 C ATOM 1655 CG2 ILE A 98 10.640 0.210 -2.803 1.00 12.03 C ATOM 1656 CD1 ILE A 98 11.340 -0.500 0.193 1.00 25.45 C ATOM 0 H ILE A 98 9.784 2.681 -3.538 1.00 4.01 H new ATOM 0 HA ILE A 98 11.473 3.169 -1.170 1.00 65.43 H new ATOM 0 HB ILE A 98 9.886 1.325 -1.220 1.00 34.23 H new ATOM 0 HG12 ILE A 98 12.789 0.366 -1.139 1.00 72.03 H new ATOM 0 HG13 ILE A 98 12.156 1.484 0.052 1.00 72.03 H new ATOM 0 HG21 ILE A 98 10.339 -0.750 -2.384 1.00 12.03 H new ATOM 0 HG22 ILE A 98 9.854 0.582 -3.460 1.00 12.03 H new ATOM 0 HG23 ILE A 98 11.560 0.085 -3.374 1.00 12.03 H new ATOM 0 HD11 ILE A 98 12.099 -0.827 0.904 1.00 25.45 H new ATOM 0 HD12 ILE A 98 10.447 -0.188 0.734 1.00 25.45 H new ATOM 0 HD13 ILE A 98 11.090 -1.324 -0.475 1.00 25.45 H new ATOM 1668 N LYS A 99 12.665 2.503 -4.174 1.00 65.44 N ATOM 1669 CA LYS A 99 13.924 2.409 -4.943 1.00 2.32 C ATOM 1670 C LYS A 99 14.765 3.666 -4.773 1.00 44.52 C ATOM 1671 O LYS A 99 15.985 3.618 -4.683 1.00 12.43 O ATOM 1672 CB LYS A 99 13.682 2.177 -6.447 1.00 70.12 C ATOM 1673 CG LYS A 99 13.696 3.348 -7.457 1.00 70.31 C ATOM 1674 CD LYS A 99 13.573 2.848 -8.905 1.00 52.12 C ATOM 1675 CE LYS A 99 14.808 2.039 -9.339 1.00 11.33 C ATOM 1676 NZ LYS A 99 14.649 1.378 -10.652 1.00 60.11 N1+ ATOM 0 H LYS A 99 11.823 2.407 -4.741 1.00 65.44 H new ATOM 0 HA LYS A 99 14.456 1.547 -4.541 1.00 2.32 H new ATOM 0 HB2 LYS A 99 14.432 1.461 -6.782 1.00 70.12 H new ATOM 0 HB3 LYS A 99 12.712 1.689 -6.540 1.00 70.12 H new ATOM 0 HG2 LYS A 99 12.875 4.030 -7.236 1.00 70.31 H new ATOM 0 HG3 LYS A 99 14.620 3.915 -7.345 1.00 70.31 H new ATOM 0 HD2 LYS A 99 12.681 2.229 -9.001 1.00 52.12 H new ATOM 0 HD3 LYS A 99 13.443 3.699 -9.573 1.00 52.12 H new ATOM 0 HE2 LYS A 99 15.672 2.703 -9.378 1.00 11.33 H new ATOM 0 HE3 LYS A 99 15.021 1.282 -8.584 1.00 11.33 H new ATOM 0 HZ1 LYS A 99 15.516 0.851 -10.883 1.00 60.11 H new ATOM 0 HZ2 LYS A 99 13.844 0.721 -10.614 1.00 60.11 H new ATOM 0 HZ3 LYS A 99 14.475 2.096 -11.384 1.00 60.11 H new ATOM 1690 N LYS A 100 14.073 4.803 -4.750 1.00 42.13 N ATOM 1691 CA LYS A 100 14.653 6.125 -4.483 1.00 4.50 C ATOM 1692 C LYS A 100 15.619 6.107 -3.304 1.00 64.53 C ATOM 1693 O LYS A 100 16.722 6.635 -3.391 1.00 65.31 O ATOM 1694 CB LYS A 100 13.576 7.199 -4.266 1.00 23.44 C ATOM 1695 CG LYS A 100 12.417 6.904 -3.306 1.00 42.32 C ATOM 1696 CD LYS A 100 12.649 7.322 -1.837 1.00 74.15 C ATOM 1697 CE LYS A 100 11.598 8.306 -1.311 1.00 14.21 C ATOM 1698 NZ LYS A 100 11.769 9.656 -1.893 1.00 55.41 N1+ ATOM 0 H LYS A 100 13.068 4.835 -4.920 1.00 42.13 H new ATOM 0 HA LYS A 100 15.218 6.385 -5.378 1.00 4.50 H new ATOM 0 HB2 LYS A 100 14.076 8.100 -3.911 1.00 23.44 H new ATOM 0 HB3 LYS A 100 13.146 7.435 -5.239 1.00 23.44 H new ATOM 0 HG2 LYS A 100 11.525 7.412 -3.674 1.00 42.32 H new ATOM 0 HG3 LYS A 100 12.209 5.834 -3.333 1.00 42.32 H new ATOM 0 HD2 LYS A 100 12.648 6.431 -1.209 1.00 74.15 H new ATOM 0 HD3 LYS A 100 13.637 7.774 -1.747 1.00 74.15 H new ATOM 0 HE2 LYS A 100 10.601 7.933 -1.545 1.00 14.21 H new ATOM 0 HE3 LYS A 100 11.668 8.367 -0.225 1.00 14.21 H new ATOM 0 HZ1 LYS A 100 11.040 10.293 -1.513 1.00 55.41 H new ATOM 0 HZ2 LYS A 100 12.711 10.023 -1.648 1.00 55.41 H new ATOM 0 HZ3 LYS A 100 11.677 9.602 -2.927 1.00 55.41 H new ATOM 1712 N ARG A 101 15.140 5.582 -2.179 1.00 13.00 N ATOM 1713 CA ARG A 101 15.924 5.318 -0.975 1.00 21.24 C ATOM 1714 C ARG A 101 17.002 4.298 -1.306 1.00 32.44 C ATOM 1715 O ARG A 101 18.191 4.578 -1.160 1.00 41.23 O ATOM 1716 CB ARG A 101 15.029 4.813 0.188 1.00 43.10 C ATOM 1717 CG ARG A 101 15.189 5.639 1.470 1.00 13.42 C ATOM 1718 CD ARG A 101 14.404 6.949 1.370 1.00 31.55 C ATOM 1719 NE ARG A 101 14.586 7.776 2.568 1.00 14.22 N ATOM 1720 CZ ARG A 101 15.370 8.850 2.706 1.00 32.10 C ATOM 1721 NH1 ARG A 101 16.026 9.361 1.669 1.00 32.33 N1+ ATOM 1722 NH2 ARG A 101 15.471 9.434 3.889 1.00 74.22 N ATOM 0 H ARG A 101 14.160 5.319 -2.077 1.00 13.00 H new ATOM 0 HA ARG A 101 16.385 6.248 -0.642 1.00 21.24 H new ATOM 0 HB2 ARG A 101 13.986 4.839 -0.126 1.00 43.10 H new ATOM 0 HB3 ARG A 101 15.272 3.772 0.400 1.00 43.10 H new ATOM 0 HG2 ARG A 101 14.838 5.063 2.326 1.00 13.42 H new ATOM 0 HG3 ARG A 101 16.244 5.853 1.641 1.00 13.42 H new ATOM 0 HD2 ARG A 101 14.730 7.504 0.490 1.00 31.55 H new ATOM 0 HD3 ARG A 101 13.345 6.731 1.235 1.00 31.55 H new ATOM 0 HE ARG A 101 14.052 7.499 3.392 1.00 14.22 H new ATOM 0 HH11 ARG A 101 15.936 8.933 0.747 1.00 32.33 H new ATOM 0 HH12 ARG A 101 16.619 10.181 1.795 1.00 32.33 H new ATOM 0 HH21 ARG A 101 14.953 9.064 4.686 1.00 74.22 H new ATOM 0 HH22 ARG A 101 16.067 10.254 4.004 1.00 74.22 H new