USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 781 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 4 GLN : amide:sc= -2.69 X(o=-0.77,f=-1.1!) USER MOD Set 1.2: A 26 TYR OH : rot 180:sc= 0.98 USER MOD Set 1.3: A 54 LYS NZ :NH3+ 152:sc= 0.94 (180deg=-0.115) USER MOD Set 2.1: A 46 GLN : amide:sc= 0.369 K(o=1.7,f=-7.7) USER MOD Set 2.2: A 96 LYS NZ :NH3+ -176:sc= 1.29 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 79:sc= 0.203 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -86:sc= -0.105 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 1.42 K(o=1.4,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -138:sc= -0.853 (180deg=-3.05!) USER MOD Single : A 28 THR OG1 : rot -109:sc= 0.981 USER MOD Single : A 30 CYS SG : rot 153:sc= -2.87! USER MOD Single : A 33 CYS SG : rot -166:sc= 0.656 USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= -0.0294 (180deg=-0.215) USER MOD Single : A 35 MET CE :methyl -163:sc= -0.516 (180deg=-0.963) USER MOD Single : A 39 MET CE :methyl 170:sc= -6.16! (180deg=-6.5!) USER MOD Single : A 42 LYS NZ :NH3+ -158:sc= 1.14 (180deg=0.827) USER MOD Single : A 44 SER OG : rot -150:sc= 0 USER MOD Single : A 47 TYR OH : rot -92:sc= -1.57! USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 159:sc= 0.357 USER MOD Single : A 65 GLN : amide:sc= -0.248 K(o=-0.25,f=-1) USER MOD Single : A 66 LYS NZ :NH3+ 137:sc= 1.2 (180deg=0.142) USER MOD Single : A 67 ASN : amide:sc= -9.09! C(o=-9.1!,f=-28!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 156:sc= -3.6! (180deg=-5.17!) USER MOD Single : A 74 THR OG1 : rot 123:sc= -0.186 USER MOD Single : A 79 LYS NZ :NH3+ 152:sc= 1.25 (180deg=1) USER MOD Single : A 80 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.62) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -143:sc= -0.947 (180deg=-2.39!) USER MOD Single : A 91 ASN : amide:sc= -0.945 K(o=-0.95,f=-0.18) USER MOD Single : A 97 GLN : amide:sc= -0.945 K(o=-0.94,f=-5.7!) USER MOD Single : A 102 ASN : amide:sc= -1.64 K(o=-1.6,f=-2.8) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -3.470 -3.750 9.524 1.00 0.00 N ATOM 21 CA VAL A 2 -2.474 -3.595 8.483 1.00 0.00 C ATOM 22 C VAL A 2 -1.109 -3.295 9.109 1.00 0.00 C ATOM 23 O VAL A 2 -0.984 -2.417 9.965 1.00 0.00 O ATOM 24 CB VAL A 2 -2.898 -2.488 7.498 1.00 0.00 C ATOM 25 CG1 VAL A 2 -1.777 -2.160 6.536 1.00 0.00 C ATOM 26 CG2 VAL A 2 -4.144 -2.911 6.735 1.00 0.00 C ATOM 0 HA VAL A 2 -2.392 -4.525 7.921 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.125 -1.590 8.072 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.102 -1.376 5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.907 -1.816 7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.513 -3.052 5.967 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.433 -2.120 6.043 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.936 -3.824 6.177 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.957 -3.093 7.438 1.00 0.00 H new ATOM 36 N THR A 3 -0.100 -4.044 8.678 1.00 0.00 N ATOM 37 CA THR A 3 1.216 -4.035 9.310 1.00 0.00 C ATOM 38 C THR A 3 2.018 -2.784 8.958 1.00 0.00 C ATOM 39 O THR A 3 1.932 -2.260 7.851 1.00 0.00 O ATOM 40 CB THR A 3 2.007 -5.294 8.903 1.00 0.00 C ATOM 41 OG1 THR A 3 1.161 -6.449 9.001 1.00 0.00 O ATOM 42 CG2 THR A 3 3.231 -5.489 9.788 1.00 0.00 C ATOM 0 H THR A 3 -0.171 -4.675 7.880 1.00 0.00 H new ATOM 0 HA THR A 3 1.057 -4.031 10.388 1.00 0.00 H new ATOM 0 HB THR A 3 2.344 -5.163 7.875 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.570 -6.489 8.220 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.767 -6.385 9.475 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.887 -4.623 9.697 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.916 -5.598 10.826 1.00 0.00 H new ATOM 50 N GLN A 4 2.797 -2.319 9.919 1.00 0.00 N ATOM 51 CA GLN A 4 3.552 -1.086 9.788 1.00 0.00 C ATOM 52 C GLN A 4 4.977 -1.348 9.303 1.00 0.00 C ATOM 53 O GLN A 4 5.622 -2.307 9.731 1.00 0.00 O ATOM 54 CB GLN A 4 3.583 -0.394 11.149 1.00 0.00 C ATOM 55 CG GLN A 4 4.249 0.975 11.139 1.00 0.00 C ATOM 56 CD GLN A 4 3.651 1.924 10.120 1.00 0.00 C ATOM 57 OE1 GLN A 4 4.341 2.792 9.586 1.00 0.00 O ATOM 58 NE2 GLN A 4 2.365 1.780 9.850 1.00 0.00 N ATOM 0 H GLN A 4 2.924 -2.788 10.816 1.00 0.00 H new ATOM 0 HA GLN A 4 3.068 -0.451 9.046 1.00 0.00 H new ATOM 0 HB2 GLN A 4 2.561 -0.286 11.512 1.00 0.00 H new ATOM 0 HB3 GLN A 4 4.107 -1.035 11.858 1.00 0.00 H new ATOM 0 HG2 GLN A 4 4.167 1.419 12.131 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.312 0.853 10.932 1.00 0.00 H new ATOM 0 HE21 GLN A 4 1.826 1.048 10.313 1.00 0.00 H new ATOM 0 HE22 GLN A 4 1.912 2.400 9.179 1.00 0.00 H new ATOM 67 N PHE A 5 5.455 -0.498 8.401 1.00 0.00 N ATOM 68 CA PHE A 5 6.852 -0.524 7.980 1.00 0.00 C ATOM 69 C PHE A 5 7.691 0.361 8.889 1.00 0.00 C ATOM 70 O PHE A 5 7.156 1.197 9.618 1.00 0.00 O ATOM 71 CB PHE A 5 7.008 -0.017 6.547 1.00 0.00 C ATOM 72 CG PHE A 5 6.562 -0.965 5.471 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.715 -2.334 5.613 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.015 -0.474 4.298 1.00 0.00 C ATOM 75 CE1 PHE A 5 6.331 -3.194 4.604 1.00 0.00 C ATOM 76 CE2 PHE A 5 5.626 -1.328 3.288 1.00 0.00 C ATOM 77 CZ PHE A 5 5.784 -2.691 3.440 1.00 0.00 C ATOM 0 H PHE A 5 4.893 0.221 7.945 1.00 0.00 H new ATOM 0 HA PHE A 5 7.189 -1.559 8.037 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.445 0.911 6.445 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.057 0.227 6.379 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.139 -2.733 6.523 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.891 0.592 4.172 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.458 -4.260 4.725 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.198 -0.931 2.379 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.481 -3.362 2.650 1.00 0.00 H new ATOM 87 N LYS A 6 9.005 0.187 8.841 1.00 0.00 N ATOM 88 CA LYS A 6 9.893 1.056 9.596 1.00 0.00 C ATOM 89 C LYS A 6 11.076 1.531 8.750 1.00 0.00 C ATOM 90 O LYS A 6 11.761 2.479 9.127 1.00 0.00 O ATOM 91 CB LYS A 6 10.359 0.372 10.888 1.00 0.00 C ATOM 92 CG LYS A 6 11.145 -0.912 10.681 1.00 0.00 C ATOM 93 CD LYS A 6 11.219 -1.737 11.960 1.00 0.00 C ATOM 94 CE LYS A 6 11.806 -0.943 13.117 1.00 0.00 C ATOM 95 NZ LYS A 6 11.764 -1.705 14.392 1.00 0.00 N ATOM 0 H LYS A 6 9.473 -0.537 8.296 1.00 0.00 H new ATOM 0 HA LYS A 6 9.328 1.945 9.875 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.976 1.072 11.451 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.485 0.152 11.502 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.677 -1.502 9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.153 -0.672 10.344 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.220 -2.082 12.227 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.827 -2.625 11.784 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.838 -0.677 12.888 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.254 -0.010 13.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.173 -1.128 15.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.778 -1.938 14.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.312 -2.583 14.290 1.00 0.00 H new ATOM 109 N THR A 7 11.312 0.889 7.606 1.00 0.00 N ATOM 110 CA THR A 7 12.310 1.371 6.648 1.00 0.00 C ATOM 111 C THR A 7 11.870 1.048 5.223 1.00 0.00 C ATOM 112 O THR A 7 10.865 0.356 5.015 1.00 0.00 O ATOM 113 CB THR A 7 13.716 0.751 6.859 1.00 0.00 C ATOM 114 OG1 THR A 7 13.674 -0.653 6.593 1.00 0.00 O ATOM 115 CG2 THR A 7 14.249 0.990 8.265 1.00 0.00 C ATOM 0 H THR A 7 10.829 0.038 7.320 1.00 0.00 H new ATOM 0 HA THR A 7 12.382 2.446 6.812 1.00 0.00 H new ATOM 0 HB THR A 7 14.394 1.244 6.163 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.403 -1.132 7.404 1.00 0.00 H new ATOM 0 HG21 THR A 7 15.236 0.537 8.362 1.00 0.00 H new ATOM 0 HG22 THR A 7 14.322 2.062 8.449 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.571 0.543 8.992 1.00 0.00 H new ATOM 123 N ALA A 8 12.624 1.529 4.243 1.00 0.00 N ATOM 124 CA ALA A 8 12.377 1.163 2.859 1.00 0.00 C ATOM 125 C ALA A 8 12.771 -0.290 2.631 1.00 0.00 C ATOM 126 O ALA A 8 12.269 -0.945 1.719 1.00 0.00 O ATOM 127 CB ALA A 8 13.123 2.084 1.906 1.00 0.00 C ATOM 0 H ALA A 8 13.406 2.169 4.381 1.00 0.00 H new ATOM 0 HA ALA A 8 11.312 1.275 2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.919 1.786 0.878 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.792 3.111 2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.194 2.016 2.098 1.00 0.00 H new ATOM 133 N SER A 9 13.665 -0.787 3.481 1.00 0.00 N ATOM 134 CA SER A 9 14.043 -2.191 3.466 1.00 0.00 C ATOM 135 C SER A 9 12.812 -3.054 3.725 1.00 0.00 C ATOM 136 O SER A 9 12.567 -4.025 3.011 1.00 0.00 O ATOM 137 CB SER A 9 15.128 -2.461 4.514 1.00 0.00 C ATOM 138 OG SER A 9 15.545 -3.817 4.493 1.00 0.00 O ATOM 0 H SER A 9 14.142 -0.232 4.192 1.00 0.00 H new ATOM 0 HA SER A 9 14.450 -2.444 2.487 1.00 0.00 H new ATOM 0 HB2 SER A 9 15.984 -1.813 4.328 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.749 -2.211 5.505 1.00 0.00 H new ATOM 0 HG SER A 9 16.238 -3.957 5.171 1.00 0.00 H new ATOM 144 N GLU A 10 12.044 -2.695 4.755 1.00 0.00 N ATOM 145 CA GLU A 10 10.757 -3.308 5.008 1.00 0.00 C ATOM 146 C GLU A 10 9.853 -3.262 3.781 1.00 0.00 C ATOM 147 O GLU A 10 9.181 -4.246 3.472 1.00 0.00 O ATOM 148 CB GLU A 10 10.092 -2.603 6.174 1.00 0.00 C ATOM 149 CG GLU A 10 10.494 -3.164 7.517 1.00 0.00 C ATOM 150 CD GLU A 10 11.986 -3.183 7.753 1.00 0.00 C ATOM 151 OE1 GLU A 10 12.525 -2.168 8.230 1.00 0.00 O ATOM 152 OE2 GLU A 10 12.622 -4.218 7.476 1.00 0.00 O ATOM 0 H GLU A 10 12.303 -1.974 5.429 1.00 0.00 H new ATOM 0 HA GLU A 10 10.920 -4.359 5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.344 -1.543 6.140 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.010 -2.677 6.066 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.020 -2.575 8.302 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.110 -4.180 7.605 1.00 0.00 H new ATOM 159 N PHE A 11 9.833 -2.120 3.087 1.00 0.00 N ATOM 160 CA PHE A 11 9.032 -2.000 1.870 1.00 0.00 C ATOM 161 C PHE A 11 9.456 -3.075 0.873 1.00 0.00 C ATOM 162 O PHE A 11 8.653 -3.922 0.491 1.00 0.00 O ATOM 163 CB PHE A 11 9.150 -0.589 1.254 1.00 0.00 C ATOM 164 CG PHE A 11 8.147 -0.301 0.155 1.00 0.00 C ATOM 165 CD1 PHE A 11 8.356 -0.775 -1.129 1.00 0.00 C ATOM 166 CD2 PHE A 11 6.998 0.448 0.406 1.00 0.00 C ATOM 167 CE1 PHE A 11 7.447 -0.517 -2.136 1.00 0.00 C ATOM 168 CE2 PHE A 11 6.082 0.710 -0.609 1.00 0.00 C ATOM 169 CZ PHE A 11 6.313 0.222 -1.875 1.00 0.00 C ATOM 0 H PHE A 11 10.353 -1.281 3.343 1.00 0.00 H new ATOM 0 HA PHE A 11 7.983 -2.148 2.125 1.00 0.00 H new ATOM 0 HB2 PHE A 11 9.027 0.151 2.045 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.156 -0.463 0.853 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.241 -1.354 -1.346 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.816 0.830 1.400 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.625 -0.896 -3.132 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.196 1.292 -0.404 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.604 0.419 -2.666 1.00 0.00 H new ATOM 179 N ASP A 12 10.735 -3.066 0.506 1.00 0.00 N ATOM 180 CA ASP A 12 11.293 -4.046 -0.438 1.00 0.00 C ATOM 181 C ASP A 12 11.073 -5.478 0.036 1.00 0.00 C ATOM 182 O ASP A 12 10.781 -6.365 -0.765 1.00 0.00 O ATOM 183 CB ASP A 12 12.796 -3.829 -0.636 1.00 0.00 C ATOM 184 CG ASP A 12 13.117 -2.711 -1.603 1.00 0.00 C ATOM 185 OD1 ASP A 12 12.899 -2.892 -2.823 1.00 0.00 O ATOM 186 OD2 ASP A 12 13.604 -1.651 -1.155 1.00 0.00 O ATOM 0 H ASP A 12 11.414 -2.387 0.849 1.00 0.00 H new ATOM 0 HA ASP A 12 10.769 -3.895 -1.382 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.254 -3.609 0.328 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.245 -4.754 -0.999 1.00 0.00 H new ATOM 191 N SER A 13 11.230 -5.699 1.334 1.00 0.00 N ATOM 192 CA SER A 13 11.070 -7.024 1.915 1.00 0.00 C ATOM 193 C SER A 13 9.659 -7.549 1.672 1.00 0.00 C ATOM 194 O SER A 13 9.474 -8.709 1.297 1.00 0.00 O ATOM 195 CB SER A 13 11.374 -6.983 3.415 1.00 0.00 C ATOM 196 OG SER A 13 11.352 -8.282 3.983 1.00 0.00 O ATOM 0 H SER A 13 11.470 -4.972 2.008 1.00 0.00 H new ATOM 0 HA SER A 13 11.775 -7.702 1.433 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.352 -6.530 3.577 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.642 -6.351 3.919 1.00 0.00 H new ATOM 0 HG SER A 13 11.551 -8.224 4.941 1.00 0.00 H new ATOM 202 N ALA A 14 8.668 -6.692 1.877 1.00 0.00 N ATOM 203 CA ALA A 14 7.290 -7.056 1.621 1.00 0.00 C ATOM 204 C ALA A 14 7.059 -7.250 0.128 1.00 0.00 C ATOM 205 O ALA A 14 6.282 -8.109 -0.283 1.00 0.00 O ATOM 206 CB ALA A 14 6.345 -6.002 2.174 1.00 0.00 C ATOM 0 H ALA A 14 8.798 -5.740 2.220 1.00 0.00 H new ATOM 0 HA ALA A 14 7.085 -7.999 2.128 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.315 -6.295 1.971 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.491 -5.911 3.250 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.550 -5.043 1.698 1.00 0.00 H new ATOM 212 N ILE A 15 7.759 -6.453 -0.670 1.00 0.00 N ATOM 213 CA ILE A 15 7.632 -6.499 -2.124 1.00 0.00 C ATOM 214 C ILE A 15 8.159 -7.812 -2.691 1.00 0.00 C ATOM 215 O ILE A 15 7.571 -8.387 -3.606 1.00 0.00 O ATOM 216 CB ILE A 15 8.407 -5.351 -2.799 1.00 0.00 C ATOM 217 CG1 ILE A 15 7.954 -3.985 -2.304 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.256 -5.407 -4.301 1.00 0.00 C ATOM 219 CD1 ILE A 15 6.459 -3.857 -2.104 1.00 0.00 C ATOM 0 H ILE A 15 8.427 -5.760 -0.332 1.00 0.00 H new ATOM 0 HA ILE A 15 6.567 -6.402 -2.335 1.00 0.00 H new ATOM 0 HB ILE A 15 9.455 -5.485 -2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.454 -3.770 -1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.279 -3.227 -3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.812 -4.586 -4.753 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.645 -6.356 -4.671 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.202 -5.319 -4.564 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.224 -2.853 -1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.949 -4.037 -3.050 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.127 -4.588 -1.367 1.00 0.00 H new ATOM 231 N ALA A 16 9.267 -8.282 -2.134 1.00 0.00 N ATOM 232 CA ALA A 16 9.986 -9.427 -2.681 1.00 0.00 C ATOM 233 C ALA A 16 9.290 -10.754 -2.393 1.00 0.00 C ATOM 234 O ALA A 16 9.837 -11.822 -2.669 1.00 0.00 O ATOM 235 CB ALA A 16 11.409 -9.450 -2.147 1.00 0.00 C ATOM 0 H ALA A 16 9.691 -7.884 -1.296 1.00 0.00 H new ATOM 0 HA ALA A 16 10.001 -9.309 -3.764 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.939 -10.308 -2.560 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.921 -8.533 -2.437 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.388 -9.526 -1.060 1.00 0.00 H new ATOM 241 N GLN A 17 8.092 -10.691 -1.845 1.00 0.00 N ATOM 242 CA GLN A 17 7.318 -11.876 -1.585 1.00 0.00 C ATOM 243 C GLN A 17 6.627 -12.335 -2.859 1.00 0.00 C ATOM 244 O GLN A 17 6.225 -11.514 -3.682 1.00 0.00 O ATOM 245 CB GLN A 17 6.281 -11.583 -0.516 1.00 0.00 C ATOM 246 CG GLN A 17 6.863 -11.018 0.764 1.00 0.00 C ATOM 247 CD GLN A 17 5.844 -10.949 1.881 1.00 0.00 C ATOM 248 OE1 GLN A 17 5.719 -11.876 2.680 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.091 -9.862 1.932 1.00 0.00 N ATOM 0 H GLN A 17 7.636 -9.821 -1.571 1.00 0.00 H new ATOM 0 HA GLN A 17 7.982 -12.667 -1.237 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.552 -10.878 -0.914 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.742 -12.502 -0.284 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.704 -11.635 1.081 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.255 -10.019 0.572 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.226 -9.115 1.250 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.375 -9.771 2.653 1.00 0.00 H new ATOM 258 N ASP A 18 6.476 -13.643 -3.014 1.00 0.00 N ATOM 259 CA ASP A 18 5.828 -14.205 -4.196 1.00 0.00 C ATOM 260 C ASP A 18 4.309 -14.117 -4.071 1.00 0.00 C ATOM 261 O ASP A 18 3.586 -15.038 -4.457 1.00 0.00 O ATOM 262 CB ASP A 18 6.244 -15.665 -4.400 1.00 0.00 C ATOM 263 CG ASP A 18 7.699 -15.819 -4.799 1.00 0.00 C ATOM 264 OD1 ASP A 18 8.577 -15.763 -3.911 1.00 0.00 O ATOM 265 OD2 ASP A 18 7.973 -16.013 -6.003 1.00 0.00 O ATOM 0 H ASP A 18 6.793 -14.337 -2.337 1.00 0.00 H new ATOM 0 HA ASP A 18 6.147 -13.623 -5.060 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.066 -16.219 -3.479 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.613 -16.112 -5.168 1.00 0.00 H new ATOM 270 N LYS A 19 3.831 -12.996 -3.556 1.00 0.00 N ATOM 271 CA LYS A 19 2.412 -12.792 -3.314 1.00 0.00 C ATOM 272 C LYS A 19 2.034 -11.351 -3.631 1.00 0.00 C ATOM 273 O LYS A 19 2.898 -10.541 -3.963 1.00 0.00 O ATOM 274 CB LYS A 19 2.080 -13.110 -1.853 1.00 0.00 C ATOM 275 CG LYS A 19 2.849 -12.250 -0.861 1.00 0.00 C ATOM 276 CD LYS A 19 2.494 -12.566 0.585 1.00 0.00 C ATOM 277 CE LYS A 19 3.132 -13.859 1.089 1.00 0.00 C ATOM 278 NZ LYS A 19 2.453 -15.079 0.574 1.00 0.00 N ATOM 0 H LYS A 19 4.415 -12.202 -3.294 1.00 0.00 H new ATOM 0 HA LYS A 19 1.842 -13.459 -3.960 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.011 -12.971 -1.692 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.298 -14.160 -1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.919 -12.399 -1.010 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.642 -11.199 -1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.812 -11.739 1.220 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.411 -12.642 0.679 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.181 -13.880 0.792 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.109 -13.869 2.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.364 -15.776 1.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.507 -14.828 0.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.013 -15.487 -0.202 1.00 0.00 H new ATOM 292 N LEU A 20 0.749 -11.036 -3.528 1.00 0.00 N ATOM 293 CA LEU A 20 0.285 -9.679 -3.768 1.00 0.00 C ATOM 294 C LEU A 20 0.512 -8.829 -2.527 1.00 0.00 C ATOM 295 O LEU A 20 0.021 -9.147 -1.439 1.00 0.00 O ATOM 296 CB LEU A 20 -1.201 -9.677 -4.164 1.00 0.00 C ATOM 297 CG LEU A 20 -1.734 -8.381 -4.797 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.944 -7.295 -3.756 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.788 -7.889 -5.877 1.00 0.00 C ATOM 0 H LEU A 20 0.014 -11.699 -3.281 1.00 0.00 H new ATOM 0 HA LEU A 20 0.854 -9.253 -4.594 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.370 -10.495 -4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.793 -9.892 -3.274 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.701 -8.609 -5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.321 -6.394 -4.241 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.665 -7.637 -3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.996 -7.073 -3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.181 -6.971 -6.314 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.192 -7.693 -5.441 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.694 -8.649 -6.653 1.00 0.00 H new ATOM 311 N VAL A 21 1.266 -7.760 -2.696 1.00 0.00 N ATOM 312 CA VAL A 21 1.560 -6.856 -1.603 1.00 0.00 C ATOM 313 C VAL A 21 0.673 -5.624 -1.687 1.00 0.00 C ATOM 314 O VAL A 21 0.668 -4.929 -2.703 1.00 0.00 O ATOM 315 CB VAL A 21 3.031 -6.401 -1.628 1.00 0.00 C ATOM 316 CG1 VAL A 21 3.496 -6.002 -0.238 1.00 0.00 C ATOM 317 CG2 VAL A 21 3.922 -7.481 -2.226 1.00 0.00 C ATOM 0 H VAL A 21 1.688 -7.496 -3.586 1.00 0.00 H new ATOM 0 HA VAL A 21 1.370 -7.397 -0.676 1.00 0.00 H new ATOM 0 HB VAL A 21 3.107 -5.521 -2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.538 -5.684 -0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.881 -5.181 0.130 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.404 -6.854 0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.956 -7.137 -2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.846 -8.388 -1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.603 -7.692 -3.247 1.00 0.00 H new ATOM 327 N VAL A 22 -0.086 -5.368 -0.636 1.00 0.00 N ATOM 328 CA VAL A 22 -0.895 -4.165 -0.559 1.00 0.00 C ATOM 329 C VAL A 22 -0.206 -3.163 0.344 1.00 0.00 C ATOM 330 O VAL A 22 -0.234 -3.298 1.570 1.00 0.00 O ATOM 331 CB VAL A 22 -2.304 -4.450 -0.001 1.00 0.00 C ATOM 332 CG1 VAL A 22 -3.173 -3.201 -0.060 1.00 0.00 C ATOM 333 CG2 VAL A 22 -2.956 -5.594 -0.753 1.00 0.00 C ATOM 0 H VAL A 22 -0.159 -5.979 0.178 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.005 -3.772 -1.570 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.203 -4.742 1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.162 -3.427 0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.714 -2.410 0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.266 -2.871 -1.095 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.949 -5.779 -0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.041 -5.334 -1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.347 -6.492 -0.648 1.00 0.00 H new ATOM 343 N VAL A 23 0.429 -2.173 -0.252 1.00 0.00 N ATOM 344 CA VAL A 23 1.133 -1.181 0.524 1.00 0.00 C ATOM 345 C VAL A 23 0.354 0.119 0.583 1.00 0.00 C ATOM 346 O VAL A 23 0.073 0.755 -0.435 1.00 0.00 O ATOM 347 CB VAL A 23 2.551 -0.920 -0.004 1.00 0.00 C ATOM 348 CG1 VAL A 23 3.246 0.095 0.877 1.00 0.00 C ATOM 349 CG2 VAL A 23 3.344 -2.210 -0.050 1.00 0.00 C ATOM 0 H VAL A 23 0.470 -2.038 -1.262 1.00 0.00 H new ATOM 0 HA VAL A 23 1.226 -1.587 1.531 1.00 0.00 H new ATOM 0 HB VAL A 23 2.484 -0.523 -1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.252 0.277 0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.682 1.028 0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.305 -0.288 1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.347 -2.007 -0.426 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.411 -2.632 0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.845 -2.920 -0.710 1.00 0.00 H new ATOM 359 N ALA A 24 0.015 0.488 1.796 1.00 0.00 N ATOM 360 CA ALA A 24 -0.775 1.671 2.073 1.00 0.00 C ATOM 361 C ALA A 24 0.124 2.841 2.455 1.00 0.00 C ATOM 362 O ALA A 24 0.535 2.960 3.612 1.00 0.00 O ATOM 363 CB ALA A 24 -1.707 1.376 3.230 1.00 0.00 C ATOM 0 H ALA A 24 0.283 -0.031 2.632 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.339 1.935 1.179 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.307 2.259 3.448 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.364 0.547 2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.122 1.109 4.110 1.00 0.00 H new ATOM 369 N PHE A 25 0.445 3.698 1.508 1.00 0.00 N ATOM 370 CA PHE A 25 1.237 4.873 1.825 1.00 0.00 C ATOM 371 C PHE A 25 0.378 6.117 1.959 1.00 0.00 C ATOM 372 O PHE A 25 -0.372 6.477 1.056 1.00 0.00 O ATOM 373 CB PHE A 25 2.326 5.089 0.791 1.00 0.00 C ATOM 374 CG PHE A 25 3.658 4.613 1.271 1.00 0.00 C ATOM 375 CD1 PHE A 25 3.818 3.308 1.691 1.00 0.00 C ATOM 376 CD2 PHE A 25 4.739 5.472 1.328 1.00 0.00 C ATOM 377 CE1 PHE A 25 5.034 2.860 2.153 1.00 0.00 C ATOM 378 CE2 PHE A 25 5.958 5.032 1.791 1.00 0.00 C ATOM 379 CZ PHE A 25 6.105 3.723 2.203 1.00 0.00 C ATOM 0 H PHE A 25 0.176 3.608 0.528 1.00 0.00 H new ATOM 0 HA PHE A 25 1.706 4.691 2.792 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.063 4.564 -0.127 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.387 6.149 0.545 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.978 2.630 1.657 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.626 6.497 1.007 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.148 1.835 2.475 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.798 5.710 1.832 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.061 3.376 2.565 1.00 0.00 H new ATOM 389 N TYR A 26 0.497 6.770 3.098 1.00 0.00 N ATOM 390 CA TYR A 26 -0.238 7.991 3.355 1.00 0.00 C ATOM 391 C TYR A 26 0.537 8.870 4.321 1.00 0.00 C ATOM 392 O TYR A 26 1.635 8.519 4.736 1.00 0.00 O ATOM 393 CB TYR A 26 -1.636 7.680 3.896 1.00 0.00 C ATOM 394 CG TYR A 26 -1.663 6.832 5.153 1.00 0.00 C ATOM 395 CD1 TYR A 26 -1.687 5.445 5.074 1.00 0.00 C ATOM 396 CD2 TYR A 26 -1.696 7.418 6.412 1.00 0.00 C ATOM 397 CE1 TYR A 26 -1.743 4.666 6.212 1.00 0.00 C ATOM 398 CE2 TYR A 26 -1.744 6.647 7.556 1.00 0.00 C ATOM 399 CZ TYR A 26 -1.769 5.273 7.451 1.00 0.00 C ATOM 400 OH TYR A 26 -1.829 4.504 8.592 1.00 0.00 O ATOM 0 H TYR A 26 1.100 6.472 3.865 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.359 8.532 2.416 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.148 8.621 4.099 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.205 7.169 3.119 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.661 4.968 4.105 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.684 8.495 6.497 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.766 3.589 6.133 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.762 7.118 8.528 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.839 5.087 9.379 1.00 0.00 H new ATOM 410 N ALA A 27 -0.031 10.010 4.673 1.00 0.00 N ATOM 411 CA ALA A 27 0.665 10.974 5.504 1.00 0.00 C ATOM 412 C ALA A 27 -0.190 11.391 6.689 1.00 0.00 C ATOM 413 O ALA A 27 -1.390 11.628 6.546 1.00 0.00 O ATOM 414 CB ALA A 27 1.034 12.185 4.674 1.00 0.00 C ATOM 0 H ALA A 27 -0.972 10.290 4.396 1.00 0.00 H new ATOM 0 HA ALA A 27 1.571 10.509 5.891 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.557 12.909 5.299 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.682 11.879 3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.129 12.640 4.272 1.00 0.00 H new ATOM 420 N THR A 28 0.436 11.483 7.853 1.00 0.00 N ATOM 421 CA THR A 28 -0.259 11.877 9.071 1.00 0.00 C ATOM 422 C THR A 28 -0.686 13.342 9.034 1.00 0.00 C ATOM 423 O THR A 28 -1.600 13.747 9.755 1.00 0.00 O ATOM 424 CB THR A 28 0.614 11.625 10.311 1.00 0.00 C ATOM 425 OG1 THR A 28 1.969 12.018 10.043 1.00 0.00 O ATOM 426 CG2 THR A 28 0.563 10.161 10.715 1.00 0.00 C ATOM 0 H THR A 28 1.429 11.289 7.980 1.00 0.00 H new ATOM 0 HA THR A 28 -1.156 11.261 9.134 1.00 0.00 H new ATOM 0 HB THR A 28 0.226 12.222 11.136 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.533 11.220 9.970 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.188 10.004 11.594 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.465 9.883 10.946 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.930 9.544 9.895 1.00 0.00 H new ATOM 434 N TRP A 29 -0.026 14.132 8.193 1.00 0.00 N ATOM 435 CA TRP A 29 -0.399 15.532 8.020 1.00 0.00 C ATOM 436 C TRP A 29 -1.527 15.666 7.001 1.00 0.00 C ATOM 437 O TRP A 29 -2.073 16.747 6.798 1.00 0.00 O ATOM 438 CB TRP A 29 0.813 16.377 7.590 1.00 0.00 C ATOM 439 CG TRP A 29 1.513 15.888 6.350 1.00 0.00 C ATOM 440 CD1 TRP A 29 2.708 15.228 6.295 1.00 0.00 C ATOM 441 CD2 TRP A 29 1.076 16.033 4.990 1.00 0.00 C ATOM 442 NE1 TRP A 29 3.032 14.948 4.991 1.00 0.00 N ATOM 443 CE2 TRP A 29 2.047 15.431 4.171 1.00 0.00 C ATOM 444 CE3 TRP A 29 -0.046 16.611 4.385 1.00 0.00 C ATOM 445 CZ2 TRP A 29 1.931 15.388 2.784 1.00 0.00 C ATOM 446 CZ3 TRP A 29 -0.161 16.567 3.012 1.00 0.00 C ATOM 447 CH2 TRP A 29 0.821 15.960 2.223 1.00 0.00 C ATOM 0 H TRP A 29 0.765 13.830 7.624 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.752 15.906 8.981 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.483 17.403 7.424 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.531 16.402 8.410 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.310 14.965 7.152 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.872 14.459 4.682 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.810 17.084 4.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.689 14.920 2.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.025 17.009 2.537 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.701 15.942 1.150 1.00 0.00 H new ATOM 458 N CYS A 30 -1.870 14.555 6.365 1.00 0.00 N ATOM 459 CA CYS A 30 -2.889 14.544 5.325 1.00 0.00 C ATOM 460 C CYS A 30 -4.269 14.327 5.945 1.00 0.00 C ATOM 461 O CYS A 30 -4.383 13.858 7.078 1.00 0.00 O ATOM 462 CB CYS A 30 -2.573 13.444 4.304 1.00 0.00 C ATOM 463 SG CYS A 30 -3.695 13.367 2.888 1.00 0.00 S ATOM 0 H CYS A 30 -1.454 13.643 6.553 1.00 0.00 H new ATOM 0 HA CYS A 30 -2.892 15.506 4.812 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.558 13.592 3.936 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.590 12.481 4.814 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.072 12.855 1.868 1.00 0.00 H new ATOM 469 N GLY A 31 -5.306 14.697 5.208 1.00 0.00 N ATOM 470 CA GLY A 31 -6.665 14.530 5.685 1.00 0.00 C ATOM 471 C GLY A 31 -7.315 13.240 5.198 1.00 0.00 C ATOM 472 O GLY A 31 -7.684 12.393 6.011 1.00 0.00 O ATOM 0 H GLY A 31 -5.230 15.114 4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.665 14.541 6.775 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.266 15.379 5.358 1.00 0.00 H new ATOM 476 N PRO A 32 -7.477 13.062 3.870 1.00 0.00 N ATOM 477 CA PRO A 32 -8.123 11.869 3.285 1.00 0.00 C ATOM 478 C PRO A 32 -7.347 10.564 3.511 1.00 0.00 C ATOM 479 O PRO A 32 -7.797 9.492 3.106 1.00 0.00 O ATOM 480 CB PRO A 32 -8.182 12.188 1.784 1.00 0.00 C ATOM 481 CG PRO A 32 -8.005 13.663 1.696 1.00 0.00 C ATOM 482 CD PRO A 32 -7.089 14.023 2.825 1.00 0.00 C ATOM 0 HA PRO A 32 -9.093 11.692 3.751 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.398 11.663 1.238 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.134 11.878 1.352 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.577 13.950 0.736 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.961 14.179 1.786 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.041 13.918 2.546 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.231 15.054 3.149 1.00 0.00 H new ATOM 490 N CYS A 33 -6.194 10.650 4.166 1.00 0.00 N ATOM 491 CA CYS A 33 -5.370 9.472 4.434 1.00 0.00 C ATOM 492 C CYS A 33 -6.114 8.469 5.312 1.00 0.00 C ATOM 493 O CYS A 33 -5.896 7.250 5.231 1.00 0.00 O ATOM 494 CB CYS A 33 -4.068 9.887 5.111 1.00 0.00 C ATOM 495 SG CYS A 33 -4.301 10.883 6.599 1.00 0.00 S ATOM 0 H CYS A 33 -5.807 11.524 4.522 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.145 8.993 3.481 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.503 8.991 5.370 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.464 10.450 4.400 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.170 11.427 6.939 1.00 0.00 H new ATOM 501 N LYS A 34 -7.017 8.988 6.131 1.00 0.00 N ATOM 502 CA LYS A 34 -7.791 8.161 7.038 1.00 0.00 C ATOM 503 C LYS A 34 -8.732 7.232 6.283 1.00 0.00 C ATOM 504 O LYS A 34 -9.350 6.367 6.892 1.00 0.00 O ATOM 505 CB LYS A 34 -8.564 9.026 8.047 1.00 0.00 C ATOM 506 CG LYS A 34 -9.432 10.121 7.431 1.00 0.00 C ATOM 507 CD LYS A 34 -10.721 9.578 6.830 1.00 0.00 C ATOM 508 CE LYS A 34 -11.600 10.694 6.284 1.00 0.00 C ATOM 509 NZ LYS A 34 -12.052 11.627 7.353 1.00 0.00 N ATOM 0 H LYS A 34 -7.231 9.984 6.184 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.090 7.537 7.593 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.199 8.375 8.648 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.849 9.490 8.727 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.675 10.860 8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.864 10.637 6.657 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.483 8.878 6.030 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.270 9.020 7.589 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.048 11.251 5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.470 10.261 5.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.825 12.221 6.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.389 11.080 8.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.258 12.232 7.644 1.00 0.00 H new ATOM 523 N MET A 35 -8.854 7.406 4.964 1.00 0.00 N ATOM 524 CA MET A 35 -9.685 6.503 4.184 1.00 0.00 C ATOM 525 C MET A 35 -8.882 5.269 3.823 1.00 0.00 C ATOM 526 O MET A 35 -9.424 4.178 3.675 1.00 0.00 O ATOM 527 CB MET A 35 -10.212 7.159 2.909 1.00 0.00 C ATOM 528 CG MET A 35 -11.316 6.340 2.255 1.00 0.00 C ATOM 529 SD MET A 35 -12.015 7.110 0.781 1.00 0.00 S ATOM 530 CE MET A 35 -13.036 5.765 0.177 1.00 0.00 C ATOM 0 H MET A 35 -8.398 8.146 4.430 1.00 0.00 H new ATOM 0 HA MET A 35 -10.547 6.234 4.795 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.591 8.154 3.144 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.391 7.289 2.203 1.00 0.00 H new ATOM 0 HG2 MET A 35 -10.920 5.360 1.989 1.00 0.00 H new ATOM 0 HG3 MET A 35 -12.113 6.176 2.981 1.00 0.00 H new ATOM 0 HE1 MET A 35 -13.299 5.947 -0.865 1.00 0.00 H new ATOM 0 HE2 MET A 35 -12.485 4.827 0.253 1.00 0.00 H new ATOM 0 HE3 MET A 35 -13.945 5.701 0.775 1.00 0.00 H new ATOM 540 N ILE A 36 -7.575 5.447 3.708 1.00 0.00 N ATOM 541 CA ILE A 36 -6.694 4.349 3.365 1.00 0.00 C ATOM 542 C ILE A 36 -6.470 3.462 4.569 1.00 0.00 C ATOM 543 O ILE A 36 -6.206 2.271 4.433 1.00 0.00 O ATOM 544 CB ILE A 36 -5.357 4.867 2.782 1.00 0.00 C ATOM 545 CG1 ILE A 36 -5.441 4.854 1.261 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.160 4.061 3.261 1.00 0.00 C ATOM 547 CD1 ILE A 36 -6.590 5.678 0.737 1.00 0.00 C ATOM 0 H ILE A 36 -7.104 6.341 3.848 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.172 3.751 2.589 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.203 5.885 3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.507 5.234 0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.549 3.826 0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.249 4.467 2.822 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.095 4.117 4.348 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.277 3.021 2.957 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.603 5.634 -0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.528 5.284 1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.471 6.713 1.057 1.00 0.00 H new ATOM 559 N ALA A 37 -6.638 4.038 5.746 1.00 0.00 N ATOM 560 CA ALA A 37 -6.569 3.261 6.970 1.00 0.00 C ATOM 561 C ALA A 37 -7.585 2.095 6.950 1.00 0.00 C ATOM 562 O ALA A 37 -7.173 0.931 6.923 1.00 0.00 O ATOM 563 CB ALA A 37 -6.747 4.165 8.187 1.00 0.00 C ATOM 0 H ALA A 37 -6.822 5.032 5.880 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.579 2.810 7.041 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.693 3.566 9.096 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.958 4.917 8.200 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.718 4.658 8.135 1.00 0.00 H new ATOM 569 N PRO A 38 -8.918 2.356 6.919 1.00 0.00 N ATOM 570 CA PRO A 38 -9.910 1.285 6.995 1.00 0.00 C ATOM 571 C PRO A 38 -10.197 0.594 5.663 1.00 0.00 C ATOM 572 O PRO A 38 -10.509 -0.590 5.650 1.00 0.00 O ATOM 573 CB PRO A 38 -11.152 2.007 7.495 1.00 0.00 C ATOM 574 CG PRO A 38 -11.042 3.360 6.892 1.00 0.00 C ATOM 575 CD PRO A 38 -9.569 3.668 6.819 1.00 0.00 C ATOM 0 HA PRO A 38 -9.560 0.474 7.634 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.064 1.501 7.178 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.176 2.055 8.584 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.494 3.382 5.900 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.565 4.100 7.498 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.313 4.169 5.885 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.260 4.328 7.630 1.00 0.00 H new ATOM 583 N MET A 39 -10.095 1.309 4.539 1.00 0.00 N ATOM 584 CA MET A 39 -10.441 0.716 3.253 1.00 0.00 C ATOM 585 C MET A 39 -9.430 -0.358 2.897 1.00 0.00 C ATOM 586 O MET A 39 -9.786 -1.439 2.426 1.00 0.00 O ATOM 587 CB MET A 39 -10.469 1.793 2.161 1.00 0.00 C ATOM 588 CG MET A 39 -10.454 1.228 0.755 1.00 0.00 C ATOM 589 SD MET A 39 -9.489 2.239 -0.373 1.00 0.00 S ATOM 590 CE MET A 39 -7.906 2.277 0.474 1.00 0.00 C ATOM 0 H MET A 39 -9.782 2.279 4.496 1.00 0.00 H new ATOM 0 HA MET A 39 -11.432 0.267 3.325 1.00 0.00 H new ATOM 0 HB2 MET A 39 -11.362 2.405 2.289 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.610 2.451 2.289 1.00 0.00 H new ATOM 0 HG2 MET A 39 -10.045 0.218 0.776 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.477 1.150 0.386 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.153 2.714 -0.182 1.00 0.00 H new ATOM 0 HE2 MET A 39 -7.992 2.878 1.379 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.611 1.262 0.739 1.00 0.00 H new ATOM 600 N ILE A 40 -8.175 -0.052 3.156 1.00 0.00 N ATOM 601 CA ILE A 40 -7.081 -0.958 2.876 1.00 0.00 C ATOM 602 C ILE A 40 -7.076 -2.111 3.862 1.00 0.00 C ATOM 603 O ILE A 40 -6.829 -3.258 3.489 1.00 0.00 O ATOM 604 CB ILE A 40 -5.754 -0.179 2.908 1.00 0.00 C ATOM 605 CG1 ILE A 40 -5.158 -0.089 1.514 1.00 0.00 C ATOM 606 CG2 ILE A 40 -4.746 -0.784 3.880 1.00 0.00 C ATOM 607 CD1 ILE A 40 -4.254 1.103 1.342 1.00 0.00 C ATOM 0 H ILE A 40 -7.885 0.835 3.568 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.207 -1.386 1.882 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.981 0.825 3.267 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.596 -0.999 1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.964 -0.037 0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.828 -0.197 3.864 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.163 -0.778 4.887 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.526 -1.810 3.584 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.857 1.115 0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.819 2.017 1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.430 1.040 2.053 1.00 0.00 H new ATOM 619 N GLU A 41 -7.369 -1.806 5.120 1.00 0.00 N ATOM 620 CA GLU A 41 -7.503 -2.848 6.122 1.00 0.00 C ATOM 621 C GLU A 41 -8.657 -3.774 5.750 1.00 0.00 C ATOM 622 O GLU A 41 -8.586 -4.987 5.948 1.00 0.00 O ATOM 623 CB GLU A 41 -7.736 -2.236 7.505 1.00 0.00 C ATOM 624 CG GLU A 41 -7.878 -3.265 8.613 1.00 0.00 C ATOM 625 CD GLU A 41 -8.089 -2.633 9.969 1.00 0.00 C ATOM 626 OE1 GLU A 41 -9.237 -2.257 10.282 1.00 0.00 O ATOM 627 OE2 GLU A 41 -7.108 -2.510 10.728 1.00 0.00 O ATOM 0 H GLU A 41 -7.516 -0.857 5.465 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.579 -3.426 6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.905 -1.571 7.743 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.636 -1.622 7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.718 -3.922 8.388 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.984 -3.888 8.642 1.00 0.00 H new ATOM 634 N LYS A 42 -9.704 -3.187 5.181 1.00 0.00 N ATOM 635 CA LYS A 42 -10.896 -3.926 4.800 1.00 0.00 C ATOM 636 C LYS A 42 -10.624 -4.875 3.631 1.00 0.00 C ATOM 637 O LYS A 42 -11.265 -5.920 3.523 1.00 0.00 O ATOM 638 CB LYS A 42 -12.043 -2.961 4.471 1.00 0.00 C ATOM 639 CG LYS A 42 -13.307 -3.659 3.989 1.00 0.00 C ATOM 640 CD LYS A 42 -14.499 -2.714 3.963 1.00 0.00 C ATOM 641 CE LYS A 42 -14.954 -2.341 5.366 1.00 0.00 C ATOM 642 NZ LYS A 42 -15.362 -3.534 6.159 1.00 0.00 N ATOM 0 H LYS A 42 -9.748 -2.189 4.973 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.193 -4.540 5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.278 -2.373 5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.710 -2.261 3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.141 -4.062 2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.527 -4.504 4.642 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.235 -1.810 3.414 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -15.323 -3.183 3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.147 -1.822 5.882 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.791 -1.645 5.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.994 -3.239 6.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.860 -4.207 5.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.517 -3.990 6.559 1.00 0.00 H new ATOM 656 N PHE A 43 -9.676 -4.525 2.766 1.00 0.00 N ATOM 657 CA PHE A 43 -9.296 -5.416 1.667 1.00 0.00 C ATOM 658 C PHE A 43 -8.860 -6.772 2.211 1.00 0.00 C ATOM 659 O PHE A 43 -9.473 -7.794 1.903 1.00 0.00 O ATOM 660 CB PHE A 43 -8.180 -4.817 0.798 1.00 0.00 C ATOM 661 CG PHE A 43 -8.564 -3.531 0.137 1.00 0.00 C ATOM 662 CD1 PHE A 43 -9.843 -3.348 -0.362 1.00 0.00 C ATOM 663 CD2 PHE A 43 -7.648 -2.506 0.015 1.00 0.00 C ATOM 664 CE1 PHE A 43 -10.198 -2.163 -0.966 1.00 0.00 C ATOM 665 CE2 PHE A 43 -7.998 -1.320 -0.590 1.00 0.00 C ATOM 666 CZ PHE A 43 -9.275 -1.148 -1.079 1.00 0.00 C ATOM 0 H PHE A 43 -9.162 -3.645 2.800 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.175 -5.543 1.035 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -7.299 -4.649 1.417 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.899 -5.540 0.032 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.569 -4.143 -0.276 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.647 -2.636 0.398 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.198 -2.030 -1.350 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.273 -0.525 -0.681 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.552 -0.217 -1.551 1.00 0.00 H new ATOM 676 N SER A 44 -7.832 -6.793 3.054 1.00 0.00 N ATOM 677 CA SER A 44 -7.350 -8.054 3.587 1.00 0.00 C ATOM 678 C SER A 44 -8.272 -8.557 4.696 1.00 0.00 C ATOM 679 O SER A 44 -8.187 -9.711 5.119 1.00 0.00 O ATOM 680 CB SER A 44 -5.921 -7.917 4.085 1.00 0.00 C ATOM 681 OG SER A 44 -5.121 -7.216 3.144 1.00 0.00 O ATOM 0 H SER A 44 -7.328 -5.967 3.375 1.00 0.00 H new ATOM 0 HA SER A 44 -7.356 -8.791 2.784 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.913 -7.390 5.039 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.498 -8.905 4.263 1.00 0.00 H new ATOM 0 HG SER A 44 -4.194 -7.527 3.207 1.00 0.00 H new ATOM 687 N GLU A 45 -9.140 -7.676 5.177 1.00 0.00 N ATOM 688 CA GLU A 45 -10.202 -8.058 6.100 1.00 0.00 C ATOM 689 C GLU A 45 -11.133 -9.052 5.411 1.00 0.00 C ATOM 690 O GLU A 45 -11.742 -9.908 6.055 1.00 0.00 O ATOM 691 CB GLU A 45 -10.976 -6.812 6.531 1.00 0.00 C ATOM 692 CG GLU A 45 -12.028 -7.048 7.598 1.00 0.00 C ATOM 693 CD GLU A 45 -12.797 -5.782 7.919 1.00 0.00 C ATOM 694 OE1 GLU A 45 -13.774 -5.477 7.200 1.00 0.00 O ATOM 695 OE2 GLU A 45 -12.431 -5.082 8.886 1.00 0.00 O ATOM 0 H GLU A 45 -9.129 -6.684 4.941 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.774 -8.528 6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.266 -6.071 6.899 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.460 -6.382 5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.721 -7.819 7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.550 -7.423 8.503 1.00 0.00 H new ATOM 702 N GLN A 46 -11.232 -8.926 4.091 1.00 0.00 N ATOM 703 CA GLN A 46 -11.979 -9.866 3.282 1.00 0.00 C ATOM 704 C GLN A 46 -11.054 -10.989 2.839 1.00 0.00 C ATOM 705 O GLN A 46 -11.351 -12.170 3.019 1.00 0.00 O ATOM 706 CB GLN A 46 -12.561 -9.172 2.047 1.00 0.00 C ATOM 707 CG GLN A 46 -13.419 -7.956 2.361 1.00 0.00 C ATOM 708 CD GLN A 46 -13.848 -7.206 1.112 1.00 0.00 C ATOM 709 OE1 GLN A 46 -14.030 -5.988 1.136 1.00 0.00 O ATOM 710 NE2 GLN A 46 -14.020 -7.926 0.014 1.00 0.00 N ATOM 0 H GLN A 46 -10.797 -8.171 3.560 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.800 -10.267 3.876 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.742 -8.866 1.396 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.160 -9.891 1.489 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.304 -8.273 2.912 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.863 -7.282 3.012 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -13.859 -8.933 0.034 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -14.313 -7.474 -0.852 1.00 0.00 H new ATOM 719 N TYR A 47 -9.911 -10.605 2.283 1.00 0.00 N ATOM 720 CA TYR A 47 -8.948 -11.558 1.762 1.00 0.00 C ATOM 721 C TYR A 47 -7.552 -11.355 2.356 1.00 0.00 C ATOM 722 O TYR A 47 -6.738 -10.602 1.825 1.00 0.00 O ATOM 723 CB TYR A 47 -8.908 -11.484 0.233 1.00 0.00 C ATOM 724 CG TYR A 47 -9.013 -10.087 -0.342 1.00 0.00 C ATOM 725 CD1 TYR A 47 -7.913 -9.237 -0.401 1.00 0.00 C ATOM 726 CD2 TYR A 47 -10.221 -9.630 -0.849 1.00 0.00 C ATOM 727 CE1 TYR A 47 -8.021 -7.971 -0.946 1.00 0.00 C ATOM 728 CE2 TYR A 47 -10.338 -8.368 -1.391 1.00 0.00 C ATOM 729 CZ TYR A 47 -9.238 -7.543 -1.437 1.00 0.00 C ATOM 730 OH TYR A 47 -9.356 -6.284 -1.976 1.00 0.00 O ATOM 0 H TYR A 47 -9.630 -9.630 2.183 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.275 -12.554 2.061 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.978 -11.935 -0.114 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.723 -12.088 -0.167 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.961 -9.571 -0.015 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.086 -10.276 -0.818 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.159 -7.321 -0.987 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.288 -8.029 -1.777 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.633 -5.654 -1.278 1.00 0.00 H new ATOM 740 N PRO A 48 -7.249 -12.040 3.469 1.00 0.00 N ATOM 741 CA PRO A 48 -5.937 -11.954 4.125 1.00 0.00 C ATOM 742 C PRO A 48 -4.832 -12.620 3.305 1.00 0.00 C ATOM 743 O PRO A 48 -3.672 -12.664 3.719 1.00 0.00 O ATOM 744 CB PRO A 48 -6.148 -12.681 5.446 1.00 0.00 C ATOM 745 CG PRO A 48 -7.251 -13.643 5.174 1.00 0.00 C ATOM 746 CD PRO A 48 -8.157 -12.959 4.186 1.00 0.00 C ATOM 0 HA PRO A 48 -5.609 -10.922 4.247 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -5.242 -13.197 5.764 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -6.415 -11.986 6.242 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.864 -14.577 4.768 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.788 -13.892 6.090 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -8.624 -13.673 3.508 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.962 -12.420 4.685 1.00 0.00 H new ATOM 754 N GLN A 49 -5.213 -13.145 2.145 1.00 0.00 N ATOM 755 CA GLN A 49 -4.286 -13.802 1.229 1.00 0.00 C ATOM 756 C GLN A 49 -3.240 -12.818 0.713 1.00 0.00 C ATOM 757 O GLN A 49 -2.134 -13.205 0.328 1.00 0.00 O ATOM 758 CB GLN A 49 -5.077 -14.367 0.051 1.00 0.00 C ATOM 759 CG GLN A 49 -4.223 -14.761 -1.137 1.00 0.00 C ATOM 760 CD GLN A 49 -4.985 -14.674 -2.438 1.00 0.00 C ATOM 761 OE1 GLN A 49 -5.596 -15.646 -2.882 1.00 0.00 O ATOM 762 NE2 GLN A 49 -4.973 -13.495 -3.049 1.00 0.00 N ATOM 0 H GLN A 49 -6.177 -13.127 1.812 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.770 -14.602 1.760 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.636 -15.240 0.388 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.808 -13.625 -0.271 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.349 -14.112 -1.185 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.858 -15.779 -0.999 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.453 -12.716 -2.645 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.484 -13.368 -3.923 1.00 0.00 H new ATOM 771 N ALA A 50 -3.581 -11.548 0.741 1.00 0.00 N ATOM 772 CA ALA A 50 -2.672 -10.510 0.303 1.00 0.00 C ATOM 773 C ALA A 50 -2.036 -9.863 1.516 1.00 0.00 C ATOM 774 O ALA A 50 -2.612 -9.880 2.605 1.00 0.00 O ATOM 775 CB ALA A 50 -3.414 -9.482 -0.528 1.00 0.00 C ATOM 0 H ALA A 50 -4.486 -11.208 1.064 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.890 -10.945 -0.319 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.720 -8.706 -0.852 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.850 -9.966 -1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.206 -9.033 0.071 1.00 0.00 H new ATOM 781 N ASP A 51 -0.857 -9.293 1.343 1.00 0.00 N ATOM 782 CA ASP A 51 -0.127 -8.777 2.483 1.00 0.00 C ATOM 783 C ASP A 51 -0.445 -7.321 2.736 1.00 0.00 C ATOM 784 O ASP A 51 -0.323 -6.478 1.852 1.00 0.00 O ATOM 785 CB ASP A 51 1.383 -8.971 2.336 1.00 0.00 C ATOM 786 CG ASP A 51 1.888 -10.165 3.119 1.00 0.00 C ATOM 787 OD1 ASP A 51 1.208 -11.216 3.126 1.00 0.00 O ATOM 788 OD2 ASP A 51 2.965 -10.057 3.738 1.00 0.00 O ATOM 0 H ASP A 51 -0.393 -9.178 0.442 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.456 -9.356 3.346 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.630 -9.100 1.282 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.897 -8.072 2.676 1.00 0.00 H new ATOM 793 N PHE A 52 -0.847 -7.052 3.963 1.00 0.00 N ATOM 794 CA PHE A 52 -1.267 -5.728 4.375 1.00 0.00 C ATOM 795 C PHE A 52 -0.128 -4.972 5.050 1.00 0.00 C ATOM 796 O PHE A 52 0.352 -5.372 6.111 1.00 0.00 O ATOM 797 CB PHE A 52 -2.464 -5.843 5.328 1.00 0.00 C ATOM 798 CG PHE A 52 -2.419 -7.048 6.240 1.00 0.00 C ATOM 799 CD1 PHE A 52 -1.699 -7.022 7.426 1.00 0.00 C ATOM 800 CD2 PHE A 52 -3.103 -8.207 5.908 1.00 0.00 C ATOM 801 CE1 PHE A 52 -1.664 -8.124 8.258 1.00 0.00 C ATOM 802 CE2 PHE A 52 -3.071 -9.312 6.738 1.00 0.00 C ATOM 803 CZ PHE A 52 -2.351 -9.271 7.914 1.00 0.00 C ATOM 0 H PHE A 52 -0.891 -7.750 4.706 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.559 -5.167 3.488 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.515 -4.941 5.939 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.380 -5.882 4.739 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.159 -6.128 7.702 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.668 -8.247 4.989 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.099 -8.088 9.178 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.610 -10.208 6.466 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.325 -10.133 8.564 1.00 0.00 H new ATOM 813 N TYR A 53 0.305 -3.883 4.433 1.00 0.00 N ATOM 814 CA TYR A 53 1.339 -3.041 5.018 1.00 0.00 C ATOM 815 C TYR A 53 1.045 -1.576 4.764 1.00 0.00 C ATOM 816 O TYR A 53 0.444 -1.226 3.756 1.00 0.00 O ATOM 817 CB TYR A 53 2.718 -3.384 4.456 1.00 0.00 C ATOM 818 CG TYR A 53 3.221 -4.770 4.798 1.00 0.00 C ATOM 819 CD1 TYR A 53 3.823 -5.023 6.021 1.00 0.00 C ATOM 820 CD2 TYR A 53 3.111 -5.816 3.891 1.00 0.00 C ATOM 821 CE1 TYR A 53 4.298 -6.282 6.336 1.00 0.00 C ATOM 822 CE2 TYR A 53 3.584 -7.077 4.195 1.00 0.00 C ATOM 823 CZ TYR A 53 4.178 -7.305 5.420 1.00 0.00 C ATOM 824 OH TYR A 53 4.653 -8.558 5.732 1.00 0.00 O ATOM 0 H TYR A 53 -0.042 -3.562 3.529 1.00 0.00 H new ATOM 0 HA TYR A 53 1.341 -3.229 6.092 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.687 -3.282 3.371 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.436 -2.652 4.825 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.922 -4.223 6.740 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.648 -5.640 2.931 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.761 -6.463 7.295 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.490 -7.880 3.479 1.00 0.00 H new ATOM 0 HH TYR A 53 4.209 -9.226 5.169 1.00 0.00 H new ATOM 834 N LYS A 54 1.471 -0.726 5.687 1.00 0.00 N ATOM 835 CA LYS A 54 1.204 0.696 5.590 1.00 0.00 C ATOM 836 C LYS A 54 2.334 1.500 6.226 1.00 0.00 C ATOM 837 O LYS A 54 3.096 0.968 7.038 1.00 0.00 O ATOM 838 CB LYS A 54 -0.140 1.002 6.251 1.00 0.00 C ATOM 839 CG LYS A 54 -0.139 0.967 7.771 1.00 0.00 C ATOM 840 CD LYS A 54 -1.546 1.169 8.312 1.00 0.00 C ATOM 841 CE LYS A 54 -1.572 1.265 9.828 1.00 0.00 C ATOM 842 NZ LYS A 54 -0.905 2.502 10.319 1.00 0.00 N ATOM 0 H LYS A 54 2.004 -1.000 6.512 1.00 0.00 H new ATOM 0 HA LYS A 54 1.152 0.986 4.541 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.469 1.989 5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.876 0.285 5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.256 0.012 8.118 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.520 1.744 8.158 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.970 2.078 7.885 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.179 0.341 7.992 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.605 1.248 10.175 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.078 0.392 10.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.323 2.784 11.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.111 2.321 10.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.037 3.266 9.626 1.00 0.00 H new ATOM 856 N LEU A 55 2.452 2.769 5.843 1.00 0.00 N ATOM 857 CA LEU A 55 3.513 3.624 6.341 1.00 0.00 C ATOM 858 C LEU A 55 3.132 5.098 6.170 1.00 0.00 C ATOM 859 O LEU A 55 2.388 5.457 5.253 1.00 0.00 O ATOM 860 CB LEU A 55 4.817 3.285 5.596 1.00 0.00 C ATOM 861 CG LEU A 55 6.040 4.156 5.903 1.00 0.00 C ATOM 862 CD1 LEU A 55 7.317 3.377 5.632 1.00 0.00 C ATOM 863 CD2 LEU A 55 6.019 5.410 5.050 1.00 0.00 C ATOM 0 H LEU A 55 1.819 3.225 5.185 1.00 0.00 H new ATOM 0 HA LEU A 55 3.664 3.451 7.407 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.074 2.249 5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.620 3.342 4.525 1.00 0.00 H new ATOM 0 HG LEU A 55 6.009 4.440 6.955 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.180 4.005 5.853 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.343 2.489 6.264 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.345 3.078 4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.893 6.020 5.278 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.035 5.133 3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.114 5.979 5.262 1.00 0.00 H new ATOM 875 N ASP A 56 3.639 5.935 7.068 1.00 0.00 N ATOM 876 CA ASP A 56 3.406 7.376 7.014 1.00 0.00 C ATOM 877 C ASP A 56 4.594 8.093 6.375 1.00 0.00 C ATOM 878 O ASP A 56 5.721 8.021 6.874 1.00 0.00 O ATOM 879 CB ASP A 56 3.154 7.915 8.423 1.00 0.00 C ATOM 880 CG ASP A 56 3.197 9.428 8.508 1.00 0.00 C ATOM 881 OD1 ASP A 56 2.771 10.107 7.550 1.00 0.00 O ATOM 882 OD2 ASP A 56 3.658 9.946 9.545 1.00 0.00 O ATOM 0 H ASP A 56 4.221 5.637 7.851 1.00 0.00 H new ATOM 0 HA ASP A 56 2.526 7.564 6.399 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.180 7.567 8.768 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.899 7.500 9.101 1.00 0.00 H new ATOM 887 N VAL A 57 4.329 8.786 5.271 1.00 0.00 N ATOM 888 CA VAL A 57 5.367 9.453 4.495 1.00 0.00 C ATOM 889 C VAL A 57 5.997 10.602 5.277 1.00 0.00 C ATOM 890 O VAL A 57 7.101 11.042 4.963 1.00 0.00 O ATOM 891 CB VAL A 57 4.795 9.998 3.170 1.00 0.00 C ATOM 892 CG1 VAL A 57 3.904 8.957 2.511 1.00 0.00 C ATOM 893 CG2 VAL A 57 4.033 11.295 3.408 1.00 0.00 C ATOM 0 H VAL A 57 3.390 8.900 4.891 1.00 0.00 H new ATOM 0 HA VAL A 57 6.135 8.710 4.282 1.00 0.00 H new ATOM 0 HB VAL A 57 5.624 10.214 2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.508 9.356 1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.486 8.059 2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.079 8.709 3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.637 11.663 2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.210 11.112 4.099 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.706 12.039 3.834 1.00 0.00 H new ATOM 903 N ASP A 58 5.284 11.093 6.286 1.00 0.00 N ATOM 904 CA ASP A 58 5.803 12.162 7.125 1.00 0.00 C ATOM 905 C ASP A 58 6.974 11.644 7.940 1.00 0.00 C ATOM 906 O ASP A 58 7.968 12.341 8.150 1.00 0.00 O ATOM 907 CB ASP A 58 4.713 12.704 8.050 1.00 0.00 C ATOM 908 CG ASP A 58 5.237 13.752 9.009 1.00 0.00 C ATOM 909 OD1 ASP A 58 5.456 14.905 8.584 1.00 0.00 O ATOM 910 OD2 ASP A 58 5.442 13.427 10.197 1.00 0.00 O ATOM 0 H ASP A 58 4.351 10.768 6.540 1.00 0.00 H new ATOM 0 HA ASP A 58 6.140 12.978 6.486 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.911 13.134 7.449 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.280 11.881 8.618 1.00 0.00 H new ATOM 915 N GLU A 59 6.857 10.402 8.384 1.00 0.00 N ATOM 916 CA GLU A 59 7.924 9.771 9.139 1.00 0.00 C ATOM 917 C GLU A 59 9.029 9.277 8.203 1.00 0.00 C ATOM 918 O GLU A 59 10.215 9.467 8.478 1.00 0.00 O ATOM 919 CB GLU A 59 7.380 8.608 9.971 1.00 0.00 C ATOM 920 CG GLU A 59 7.877 8.595 11.413 1.00 0.00 C ATOM 921 CD GLU A 59 9.389 8.536 11.522 1.00 0.00 C ATOM 922 OE1 GLU A 59 10.029 9.612 11.557 1.00 0.00 O ATOM 923 OE2 GLU A 59 9.945 7.420 11.585 1.00 0.00 O ATOM 0 H GLU A 59 6.037 9.814 8.235 1.00 0.00 H new ATOM 0 HA GLU A 59 8.347 10.515 9.814 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.291 8.653 9.973 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.659 7.669 9.492 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.517 9.488 11.923 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.448 7.737 11.931 1.00 0.00 H new ATOM 930 N LEU A 60 8.641 8.669 7.086 1.00 0.00 N ATOM 931 CA LEU A 60 9.615 8.072 6.176 1.00 0.00 C ATOM 932 C LEU A 60 9.382 8.494 4.722 1.00 0.00 C ATOM 933 O LEU A 60 8.895 7.714 3.889 1.00 0.00 O ATOM 934 CB LEU A 60 9.573 6.552 6.312 1.00 0.00 C ATOM 935 CG LEU A 60 9.950 6.017 7.695 1.00 0.00 C ATOM 936 CD1 LEU A 60 9.716 4.521 7.771 1.00 0.00 C ATOM 937 CD2 LEU A 60 11.399 6.343 8.015 1.00 0.00 C ATOM 0 H LEU A 60 7.669 8.577 6.790 1.00 0.00 H new ATOM 0 HA LEU A 60 10.604 8.436 6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.568 6.208 6.067 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.247 6.117 5.574 1.00 0.00 H new ATOM 0 HG LEU A 60 9.314 6.503 8.435 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.990 4.160 8.762 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.663 4.307 7.585 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.326 4.019 7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.650 5.955 9.002 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.048 5.884 7.269 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.540 7.424 8.003 1.00 0.00 H new ATOM 949 N GLY A 61 9.757 9.730 4.420 1.00 0.00 N ATOM 950 CA GLY A 61 9.603 10.255 3.077 1.00 0.00 C ATOM 951 C GLY A 61 10.553 9.618 2.086 1.00 0.00 C ATOM 952 O GLY A 61 10.241 9.513 0.902 1.00 0.00 O ATOM 0 H GLY A 61 10.168 10.383 5.087 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.577 10.095 2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.769 11.332 3.092 1.00 0.00 H new ATOM 956 N ASP A 62 11.712 9.184 2.571 1.00 0.00 N ATOM 957 CA ASP A 62 12.706 8.531 1.719 1.00 0.00 C ATOM 958 C ASP A 62 12.174 7.214 1.196 1.00 0.00 C ATOM 959 O ASP A 62 12.528 6.777 0.102 1.00 0.00 O ATOM 960 CB ASP A 62 14.023 8.308 2.475 1.00 0.00 C ATOM 961 CG ASP A 62 13.898 7.306 3.606 1.00 0.00 C ATOM 962 OD1 ASP A 62 13.273 7.642 4.634 1.00 0.00 O ATOM 963 OD2 ASP A 62 14.427 6.183 3.472 1.00 0.00 O ATOM 0 H ASP A 62 11.988 9.272 3.549 1.00 0.00 H new ATOM 0 HA ASP A 62 12.906 9.190 0.874 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.783 7.963 1.774 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.369 9.260 2.878 1.00 0.00 H new ATOM 968 N VAL A 63 11.304 6.596 1.970 1.00 0.00 N ATOM 969 CA VAL A 63 10.637 5.392 1.526 1.00 0.00 C ATOM 970 C VAL A 63 9.666 5.750 0.418 1.00 0.00 C ATOM 971 O VAL A 63 9.723 5.160 -0.649 1.00 0.00 O ATOM 972 CB VAL A 63 9.905 4.672 2.669 1.00 0.00 C ATOM 973 CG1 VAL A 63 9.381 3.326 2.193 1.00 0.00 C ATOM 974 CG2 VAL A 63 10.831 4.487 3.861 1.00 0.00 C ATOM 0 H VAL A 63 11.044 6.908 2.906 1.00 0.00 H new ATOM 0 HA VAL A 63 11.394 4.700 1.157 1.00 0.00 H new ATOM 0 HB VAL A 63 9.060 5.286 2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.864 2.826 3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.688 3.477 1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.215 2.708 1.859 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.296 3.975 4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.694 3.891 3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.168 5.461 4.215 1.00 0.00 H new ATOM 984 N ALA A 64 8.814 6.751 0.665 1.00 0.00 N ATOM 985 CA ALA A 64 7.893 7.270 -0.351 1.00 0.00 C ATOM 986 C ALA A 64 8.622 7.708 -1.629 1.00 0.00 C ATOM 987 O ALA A 64 8.009 7.833 -2.689 1.00 0.00 O ATOM 988 CB ALA A 64 7.078 8.423 0.216 1.00 0.00 C ATOM 0 H ALA A 64 8.744 7.221 1.568 1.00 0.00 H new ATOM 0 HA ALA A 64 7.223 6.456 -0.626 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.398 8.799 -0.549 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.502 8.075 1.073 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.749 9.223 0.530 1.00 0.00 H new ATOM 994 N GLN A 65 9.916 7.961 -1.537 1.00 0.00 N ATOM 995 CA GLN A 65 10.700 8.261 -2.729 1.00 0.00 C ATOM 996 C GLN A 65 11.178 6.980 -3.399 1.00 0.00 C ATOM 997 O GLN A 65 11.264 6.905 -4.625 1.00 0.00 O ATOM 998 CB GLN A 65 11.898 9.150 -2.388 1.00 0.00 C ATOM 999 CG GLN A 65 11.517 10.501 -1.808 1.00 0.00 C ATOM 1000 CD GLN A 65 10.583 11.284 -2.711 1.00 0.00 C ATOM 1001 OE1 GLN A 65 10.596 11.128 -3.933 1.00 0.00 O ATOM 1002 NE2 GLN A 65 9.771 12.140 -2.115 1.00 0.00 N ATOM 0 H GLN A 65 10.443 7.966 -0.664 1.00 0.00 H new ATOM 0 HA GLN A 65 10.054 8.800 -3.423 1.00 0.00 H new ATOM 0 HB2 GLN A 65 12.535 8.626 -1.675 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.490 9.307 -3.290 1.00 0.00 H new ATOM 0 HG2 GLN A 65 11.040 10.354 -0.839 1.00 0.00 H new ATOM 0 HG3 GLN A 65 12.421 11.085 -1.633 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.791 12.240 -1.100 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.124 12.701 -2.670 1.00 0.00 H new ATOM 1011 N LYS A 66 11.461 5.968 -2.591 1.00 0.00 N ATOM 1012 CA LYS A 66 11.927 4.692 -3.089 1.00 0.00 C ATOM 1013 C LYS A 66 10.815 3.975 -3.862 1.00 0.00 C ATOM 1014 O LYS A 66 11.062 3.322 -4.875 1.00 0.00 O ATOM 1015 CB LYS A 66 12.426 3.845 -1.903 1.00 0.00 C ATOM 1016 CG LYS A 66 12.047 2.380 -1.978 1.00 0.00 C ATOM 1017 CD LYS A 66 12.864 1.631 -3.024 1.00 0.00 C ATOM 1018 CE LYS A 66 12.341 0.221 -3.225 1.00 0.00 C ATOM 1019 NZ LYS A 66 13.137 -0.539 -4.226 1.00 0.00 N ATOM 0 H LYS A 66 11.373 6.013 -1.576 1.00 0.00 H new ATOM 0 HA LYS A 66 12.752 4.847 -3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.512 3.925 -1.847 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.027 4.264 -0.979 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.195 1.917 -1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.987 2.292 -2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.831 2.172 -3.970 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.908 1.593 -2.714 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.357 -0.309 -2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.301 0.264 -3.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.301 -1.505 -3.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.617 -0.579 -5.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.051 -0.065 -4.375 1.00 0.00 H new ATOM 1033 N ASN A 67 9.588 4.129 -3.391 1.00 0.00 N ATOM 1034 CA ASN A 67 8.442 3.432 -3.963 1.00 0.00 C ATOM 1035 C ASN A 67 7.723 4.317 -4.952 1.00 0.00 C ATOM 1036 O ASN A 67 6.869 3.850 -5.706 1.00 0.00 O ATOM 1037 CB ASN A 67 7.478 3.032 -2.857 1.00 0.00 C ATOM 1038 CG ASN A 67 7.398 4.082 -1.811 1.00 0.00 C ATOM 1039 OD1 ASN A 67 7.411 5.251 -2.129 1.00 0.00 O ATOM 1040 ND2 ASN A 67 7.386 3.685 -0.560 1.00 0.00 N ATOM 0 H ASN A 67 9.357 4.737 -2.605 1.00 0.00 H new ATOM 0 HA ASN A 67 8.802 2.542 -4.479 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.488 2.858 -3.279 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.803 2.093 -2.409 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.387 4.373 0.193 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.375 2.689 -0.341 1.00 0.00 H new ATOM 1047 N GLU A 68 8.066 5.601 -4.919 1.00 0.00 N ATOM 1048 CA GLU A 68 7.566 6.571 -5.873 1.00 0.00 C ATOM 1049 C GLU A 68 6.150 7.034 -5.561 1.00 0.00 C ATOM 1050 O GLU A 68 5.471 7.595 -6.424 1.00 0.00 O ATOM 1051 CB GLU A 68 7.625 6.015 -7.283 1.00 0.00 C ATOM 1052 CG GLU A 68 9.045 5.770 -7.770 1.00 0.00 C ATOM 1053 CD GLU A 68 9.104 5.403 -9.232 1.00 0.00 C ATOM 1054 OE1 GLU A 68 9.157 6.321 -10.076 1.00 0.00 O ATOM 1055 OE2 GLU A 68 9.101 4.193 -9.545 1.00 0.00 O ATOM 0 H GLU A 68 8.702 5.994 -4.225 1.00 0.00 H new ATOM 0 HA GLU A 68 8.217 7.442 -5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.068 5.079 -7.321 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.129 6.709 -7.962 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.643 6.666 -7.600 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.494 4.971 -7.181 1.00 0.00 H new ATOM 1062 N VAL A 69 5.703 6.815 -4.340 1.00 0.00 N ATOM 1063 CA VAL A 69 4.431 7.374 -3.920 1.00 0.00 C ATOM 1064 C VAL A 69 4.626 8.834 -3.513 1.00 0.00 C ATOM 1065 O VAL A 69 5.263 9.142 -2.502 1.00 0.00 O ATOM 1066 CB VAL A 69 3.728 6.550 -2.802 1.00 0.00 C ATOM 1067 CG1 VAL A 69 4.711 5.772 -1.943 1.00 0.00 C ATOM 1068 CG2 VAL A 69 2.870 7.445 -1.920 1.00 0.00 C ATOM 0 H VAL A 69 6.190 6.265 -3.632 1.00 0.00 H new ATOM 0 HA VAL A 69 3.754 7.324 -4.773 1.00 0.00 H new ATOM 0 HB VAL A 69 3.090 5.827 -3.311 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.166 5.216 -1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.270 5.077 -2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.402 6.465 -1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.391 6.843 -1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.497 8.204 -1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.106 7.930 -2.528 1.00 0.00 H new ATOM 1078 N SER A 70 4.116 9.729 -4.347 1.00 0.00 N ATOM 1079 CA SER A 70 4.302 11.160 -4.154 1.00 0.00 C ATOM 1080 C SER A 70 2.998 11.829 -3.741 1.00 0.00 C ATOM 1081 O SER A 70 2.997 12.932 -3.193 1.00 0.00 O ATOM 1082 CB SER A 70 4.836 11.782 -5.443 1.00 0.00 C ATOM 1083 OG SER A 70 5.989 11.088 -5.891 1.00 0.00 O ATOM 0 H SER A 70 3.566 9.486 -5.171 1.00 0.00 H new ATOM 0 HA SER A 70 5.024 11.315 -3.352 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.065 11.754 -6.213 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.079 12.831 -5.274 1.00 0.00 H new ATOM 0 HG SER A 70 6.317 11.498 -6.718 1.00 0.00 H new ATOM 1089 N ALA A 71 1.893 11.159 -4.010 1.00 0.00 N ATOM 1090 CA ALA A 71 0.591 11.653 -3.606 1.00 0.00 C ATOM 1091 C ALA A 71 0.120 10.884 -2.385 1.00 0.00 C ATOM 1092 O ALA A 71 0.482 9.725 -2.201 1.00 0.00 O ATOM 1093 CB ALA A 71 -0.408 11.515 -4.745 1.00 0.00 C ATOM 0 H ALA A 71 1.872 10.269 -4.508 1.00 0.00 H new ATOM 0 HA ALA A 71 0.669 12.711 -3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.380 11.891 -4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.062 12.090 -5.604 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.499 10.465 -5.024 1.00 0.00 H new ATOM 1099 N MET A 72 -0.657 11.523 -1.533 1.00 0.00 N ATOM 1100 CA MET A 72 -1.165 10.859 -0.346 1.00 0.00 C ATOM 1101 C MET A 72 -2.651 11.137 -0.187 1.00 0.00 C ATOM 1102 O MET A 72 -3.085 12.282 -0.319 1.00 0.00 O ATOM 1103 CB MET A 72 -0.404 11.303 0.914 1.00 0.00 C ATOM 1104 CG MET A 72 1.078 10.947 0.903 1.00 0.00 C ATOM 1105 SD MET A 72 2.079 12.116 -0.042 1.00 0.00 S ATOM 1106 CE MET A 72 3.640 11.238 -0.133 1.00 0.00 C ATOM 0 H MET A 72 -0.950 12.494 -1.638 1.00 0.00 H new ATOM 0 HA MET A 72 -1.012 9.787 -0.469 1.00 0.00 H new ATOM 0 HB2 MET A 72 -0.507 12.382 1.026 1.00 0.00 H new ATOM 0 HB3 MET A 72 -0.870 10.846 1.787 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.445 10.910 1.929 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.203 9.949 0.484 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.204 11.587 -0.998 1.00 0.00 H new ATOM 0 HE2 MET A 72 4.215 11.424 0.774 1.00 0.00 H new ATOM 0 HE3 MET A 72 3.451 10.169 -0.230 1.00 0.00 H new ATOM 1116 N PRO A 73 -3.457 10.101 0.098 1.00 0.00 N ATOM 1117 CA PRO A 73 -2.974 8.723 0.255 1.00 0.00 C ATOM 1118 C PRO A 73 -2.789 7.974 -1.077 1.00 0.00 C ATOM 1119 O PRO A 73 -3.444 8.281 -2.073 1.00 0.00 O ATOM 1120 CB PRO A 73 -4.078 8.080 1.092 1.00 0.00 C ATOM 1121 CG PRO A 73 -5.331 8.820 0.746 1.00 0.00 C ATOM 1122 CD PRO A 73 -4.914 10.206 0.316 1.00 0.00 C ATOM 0 HA PRO A 73 -1.982 8.690 0.707 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.174 7.019 0.864 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.858 8.158 2.157 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.871 8.313 -0.054 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.002 8.867 1.604 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.431 10.512 -0.594 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.149 10.947 1.080 1.00 0.00 H new ATOM 1130 N THR A 74 -1.891 6.988 -1.068 1.00 0.00 N ATOM 1131 CA THR A 74 -1.570 6.185 -2.247 1.00 0.00 C ATOM 1132 C THR A 74 -1.446 4.706 -1.890 1.00 0.00 C ATOM 1133 O THR A 74 -0.950 4.345 -0.823 1.00 0.00 O ATOM 1134 CB THR A 74 -0.250 6.668 -2.902 1.00 0.00 C ATOM 1135 OG1 THR A 74 -0.486 7.853 -3.665 1.00 0.00 O ATOM 1136 CG2 THR A 74 0.388 5.604 -3.793 1.00 0.00 C ATOM 0 H THR A 74 -1.363 6.723 -0.237 1.00 0.00 H new ATOM 0 HA THR A 74 -2.388 6.309 -2.956 1.00 0.00 H new ATOM 0 HB THR A 74 0.448 6.877 -2.091 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.100 8.570 -3.345 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.309 5.996 -4.225 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.614 4.719 -3.198 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.303 5.337 -4.592 1.00 0.00 H new ATOM 1144 N LEU A 75 -1.915 3.866 -2.789 1.00 0.00 N ATOM 1145 CA LEU A 75 -1.806 2.431 -2.642 1.00 0.00 C ATOM 1146 C LEU A 75 -0.810 1.886 -3.655 1.00 0.00 C ATOM 1147 O LEU A 75 -0.946 2.138 -4.854 1.00 0.00 O ATOM 1148 CB LEU A 75 -3.152 1.771 -2.899 1.00 0.00 C ATOM 1149 CG LEU A 75 -4.319 2.243 -2.038 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -5.115 3.347 -2.733 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -5.206 1.064 -1.718 1.00 0.00 C ATOM 0 H LEU A 75 -2.384 4.161 -3.645 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.474 2.214 -1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.415 1.929 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.037 0.696 -2.758 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.926 2.665 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.939 3.660 -2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.463 4.198 -2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.512 2.971 -3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.043 1.395 -1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.585 0.632 -2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.631 0.313 -1.176 1.00 0.00 H new ATOM 1163 N LEU A 76 0.183 1.147 -3.193 1.00 0.00 N ATOM 1164 CA LEU A 76 1.119 0.515 -4.101 1.00 0.00 C ATOM 1165 C LEU A 76 1.048 -1.008 -3.990 1.00 0.00 C ATOM 1166 O LEU A 76 1.369 -1.584 -2.952 1.00 0.00 O ATOM 1167 CB LEU A 76 2.542 1.020 -3.841 1.00 0.00 C ATOM 1168 CG LEU A 76 3.155 1.820 -4.995 1.00 0.00 C ATOM 1169 CD1 LEU A 76 4.526 2.367 -4.616 1.00 0.00 C ATOM 1170 CD2 LEU A 76 3.249 0.950 -6.241 1.00 0.00 C ATOM 0 H LEU A 76 0.360 0.972 -2.204 1.00 0.00 H new ATOM 0 HA LEU A 76 0.842 0.785 -5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.535 1.644 -2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.184 0.165 -3.628 1.00 0.00 H new ATOM 0 HG LEU A 76 2.506 2.670 -5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.937 2.930 -5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.430 3.022 -3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.193 1.540 -4.373 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.686 1.527 -7.056 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.877 0.083 -6.033 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.252 0.616 -6.527 1.00 0.00 H new ATOM 1182 N LEU A 77 0.593 -1.642 -5.064 1.00 0.00 N ATOM 1183 CA LEU A 77 0.501 -3.096 -5.141 1.00 0.00 C ATOM 1184 C LEU A 77 1.732 -3.641 -5.855 1.00 0.00 C ATOM 1185 O LEU A 77 2.133 -3.112 -6.896 1.00 0.00 O ATOM 1186 CB LEU A 77 -0.752 -3.530 -5.922 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.112 -3.484 -5.198 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -2.265 -2.233 -4.344 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.218 -3.538 -6.232 1.00 0.00 C ATOM 0 H LEU A 77 0.277 -1.163 -5.907 1.00 0.00 H new ATOM 0 HA LEU A 77 0.439 -3.488 -4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.826 -2.902 -6.810 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.592 -4.552 -6.267 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.171 -4.341 -4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.238 -2.244 -3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.479 -2.209 -3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.188 -1.349 -4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.186 -3.506 -5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.129 -2.685 -6.905 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.136 -4.462 -6.805 1.00 0.00 H new ATOM 1201 N PHE A 78 2.320 -4.693 -5.315 1.00 0.00 N ATOM 1202 CA PHE A 78 3.506 -5.291 -5.916 1.00 0.00 C ATOM 1203 C PHE A 78 3.368 -6.808 -6.025 1.00 0.00 C ATOM 1204 O PHE A 78 2.658 -7.424 -5.227 1.00 0.00 O ATOM 1205 CB PHE A 78 4.748 -4.958 -5.091 1.00 0.00 C ATOM 1206 CG PHE A 78 5.287 -3.571 -5.307 1.00 0.00 C ATOM 1207 CD1 PHE A 78 4.761 -2.491 -4.625 1.00 0.00 C ATOM 1208 CD2 PHE A 78 6.335 -3.353 -6.186 1.00 0.00 C ATOM 1209 CE1 PHE A 78 5.269 -1.224 -4.817 1.00 0.00 C ATOM 1210 CE2 PHE A 78 6.847 -2.089 -6.381 1.00 0.00 C ATOM 1211 CZ PHE A 78 6.314 -1.020 -5.695 1.00 0.00 C ATOM 0 H PHE A 78 1.999 -5.153 -4.463 1.00 0.00 H new ATOM 0 HA PHE A 78 3.609 -4.875 -6.918 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.511 -5.081 -4.034 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.530 -5.679 -5.328 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.944 -2.641 -3.935 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.757 -4.187 -6.727 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.848 -0.388 -4.278 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.664 -1.937 -7.070 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.712 -0.027 -5.844 1.00 0.00 H new ATOM 1221 N LYS A 79 4.025 -7.403 -7.022 1.00 0.00 N ATOM 1222 CA LYS A 79 4.140 -8.850 -7.102 1.00 0.00 C ATOM 1223 C LYS A 79 5.592 -9.266 -7.276 1.00 0.00 C ATOM 1224 O LYS A 79 6.166 -9.064 -8.342 1.00 0.00 O ATOM 1225 CB LYS A 79 3.341 -9.392 -8.282 1.00 0.00 C ATOM 1226 CG LYS A 79 1.931 -9.843 -7.939 1.00 0.00 C ATOM 1227 CD LYS A 79 1.220 -10.405 -9.163 1.00 0.00 C ATOM 1228 CE LYS A 79 1.624 -11.839 -9.464 1.00 0.00 C ATOM 1229 NZ LYS A 79 1.066 -12.795 -8.473 1.00 0.00 N ATOM 0 H LYS A 79 4.483 -6.901 -7.782 1.00 0.00 H new ATOM 0 HA LYS A 79 3.747 -9.259 -6.171 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.285 -8.621 -9.050 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.882 -10.234 -8.714 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.969 -10.601 -7.157 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.364 -9.002 -7.540 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.142 -10.360 -9.006 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.442 -9.779 -10.027 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.281 -12.110 -10.462 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.711 -11.916 -9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.940 -13.725 -8.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.720 -12.884 -7.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.147 -12.446 -8.134 1.00 0.00 H new ATOM 1243 N ASN A 80 6.182 -9.833 -6.234 1.00 0.00 N ATOM 1244 CA ASN A 80 7.501 -10.457 -6.344 1.00 0.00 C ATOM 1245 C ASN A 80 8.566 -9.462 -6.838 1.00 0.00 C ATOM 1246 O ASN A 80 9.257 -9.694 -7.831 1.00 0.00 O ATOM 1247 CB ASN A 80 7.394 -11.670 -7.278 1.00 0.00 C ATOM 1248 CG ASN A 80 8.683 -12.452 -7.429 1.00 0.00 C ATOM 1249 OD1 ASN A 80 9.512 -12.508 -6.522 1.00 0.00 O ATOM 1250 ND2 ASN A 80 8.848 -13.066 -8.590 1.00 0.00 N ATOM 0 H ASN A 80 5.772 -9.876 -5.301 1.00 0.00 H new ATOM 0 HA ASN A 80 7.824 -10.784 -5.356 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.619 -12.337 -6.901 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.071 -11.330 -8.262 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.691 -13.614 -8.762 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.132 -12.991 -9.313 1.00 0.00 H new ATOM 1257 N GLY A 81 8.671 -8.334 -6.147 1.00 0.00 N ATOM 1258 CA GLY A 81 9.721 -7.369 -6.439 1.00 0.00 C ATOM 1259 C GLY A 81 9.374 -6.405 -7.560 1.00 0.00 C ATOM 1260 O GLY A 81 10.131 -5.470 -7.825 1.00 0.00 O ATOM 0 H GLY A 81 8.047 -8.067 -5.386 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.938 -6.798 -5.536 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.632 -7.906 -6.703 1.00 0.00 H new ATOM 1264 N LYS A 82 8.244 -6.612 -8.219 1.00 0.00 N ATOM 1265 CA LYS A 82 7.803 -5.700 -9.260 1.00 0.00 C ATOM 1266 C LYS A 82 6.442 -5.162 -8.880 1.00 0.00 C ATOM 1267 O LYS A 82 5.769 -5.748 -8.040 1.00 0.00 O ATOM 1268 CB LYS A 82 7.728 -6.401 -10.622 1.00 0.00 C ATOM 1269 CG LYS A 82 6.614 -7.428 -10.715 1.00 0.00 C ATOM 1270 CD LYS A 82 6.492 -8.028 -12.103 1.00 0.00 C ATOM 1271 CE LYS A 82 5.362 -9.044 -12.158 1.00 0.00 C ATOM 1272 NZ LYS A 82 5.161 -9.587 -13.526 1.00 0.00 N ATOM 0 H LYS A 82 7.619 -7.400 -8.052 1.00 0.00 H new ATOM 0 HA LYS A 82 8.523 -4.887 -9.349 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.586 -5.651 -11.400 1.00 0.00 H new ATOM 0 HB3 LYS A 82 8.681 -6.891 -10.822 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.797 -8.224 -9.993 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.669 -6.960 -10.441 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.311 -7.237 -12.831 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.431 -8.507 -12.380 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.579 -9.863 -11.472 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.439 -8.577 -11.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.381 -10.275 -13.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.928 -8.810 -14.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.033 -10.056 -13.845 1.00 0.00 H new ATOM 1286 N GLU A 83 6.044 -4.055 -9.468 1.00 0.00 N ATOM 1287 CA GLU A 83 4.730 -3.491 -9.211 1.00 0.00 C ATOM 1288 C GLU A 83 3.655 -4.416 -9.788 1.00 0.00 C ATOM 1289 O GLU A 83 3.958 -5.499 -10.290 1.00 0.00 O ATOM 1290 CB GLU A 83 4.647 -2.091 -9.843 1.00 0.00 C ATOM 1291 CG GLU A 83 3.442 -1.265 -9.404 1.00 0.00 C ATOM 1292 CD GLU A 83 3.483 0.156 -9.932 1.00 0.00 C ATOM 1293 OE1 GLU A 83 4.176 1.008 -9.333 1.00 0.00 O ATOM 1294 OE2 GLU A 83 2.827 0.432 -10.958 1.00 0.00 O ATOM 0 H GLU A 83 6.610 -3.524 -10.129 1.00 0.00 H new ATOM 0 HA GLU A 83 4.565 -3.399 -8.137 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.556 -1.542 -9.598 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.622 -2.197 -10.927 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.529 -1.750 -9.749 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.399 -1.243 -8.315 1.00 0.00 H new ATOM 1301 N VAL A 84 2.406 -4.025 -9.613 1.00 0.00 N ATOM 1302 CA VAL A 84 1.291 -4.578 -10.367 1.00 0.00 C ATOM 1303 C VAL A 84 0.186 -3.545 -10.474 1.00 0.00 C ATOM 1304 O VAL A 84 -0.568 -3.522 -11.445 1.00 0.00 O ATOM 1305 CB VAL A 84 0.722 -5.881 -9.778 1.00 0.00 C ATOM 1306 CG1 VAL A 84 1.426 -7.089 -10.365 1.00 0.00 C ATOM 1307 CG2 VAL A 84 0.848 -5.888 -8.274 1.00 0.00 C ATOM 0 H VAL A 84 2.133 -3.310 -8.939 1.00 0.00 H new ATOM 0 HA VAL A 84 1.685 -4.832 -11.351 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.335 -5.933 -10.039 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.008 -7.999 -9.934 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.287 -7.102 -11.446 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.491 -7.036 -10.137 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.440 -6.818 -7.879 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.899 -5.806 -7.997 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.297 -5.044 -7.859 1.00 0.00 H new ATOM 1317 N ALA A 85 0.104 -2.675 -9.474 1.00 0.00 N ATOM 1318 CA ALA A 85 -0.849 -1.581 -9.496 1.00 0.00 C ATOM 1319 C ALA A 85 -0.442 -0.482 -8.529 1.00 0.00 C ATOM 1320 O ALA A 85 0.278 -0.725 -7.564 1.00 0.00 O ATOM 1321 CB ALA A 85 -2.251 -2.082 -9.193 1.00 0.00 C ATOM 0 H ALA A 85 0.688 -2.709 -8.639 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.851 -1.156 -10.500 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.949 -1.245 -9.215 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.544 -2.818 -9.941 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.267 -2.542 -8.205 1.00 0.00 H new ATOM 1327 N LYS A 86 -0.899 0.727 -8.808 1.00 0.00 N ATOM 1328 CA LYS A 86 -0.564 1.892 -8.005 1.00 0.00 C ATOM 1329 C LYS A 86 -1.649 2.947 -8.156 1.00 0.00 C ATOM 1330 O LYS A 86 -1.833 3.507 -9.235 1.00 0.00 O ATOM 1331 CB LYS A 86 0.795 2.448 -8.437 1.00 0.00 C ATOM 1332 CG LYS A 86 1.196 3.736 -7.734 1.00 0.00 C ATOM 1333 CD LYS A 86 2.642 4.136 -8.028 1.00 0.00 C ATOM 1334 CE LYS A 86 2.882 4.486 -9.496 1.00 0.00 C ATOM 1335 NZ LYS A 86 2.965 3.287 -10.375 1.00 0.00 N ATOM 0 H LYS A 86 -1.513 0.929 -9.597 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.501 1.605 -6.955 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.559 1.693 -8.251 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.777 2.625 -9.512 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.529 4.540 -8.046 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.067 3.615 -6.658 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.909 4.992 -7.409 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.304 3.318 -7.743 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.076 5.131 -9.846 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.807 5.057 -9.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.682 3.445 -11.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.230 2.457 -9.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.041 3.120 -10.822 1.00 0.00 H new ATOM 1349 N VAL A 87 -2.366 3.216 -7.074 1.00 0.00 N ATOM 1350 CA VAL A 87 -3.523 4.100 -7.127 1.00 0.00 C ATOM 1351 C VAL A 87 -3.412 5.193 -6.072 1.00 0.00 C ATOM 1352 O VAL A 87 -3.078 4.923 -4.925 1.00 0.00 O ATOM 1353 CB VAL A 87 -4.839 3.323 -6.906 1.00 0.00 C ATOM 1354 CG1 VAL A 87 -6.040 4.222 -7.148 1.00 0.00 C ATOM 1355 CG2 VAL A 87 -4.901 2.091 -7.797 1.00 0.00 C ATOM 0 H VAL A 87 -2.167 2.835 -6.149 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.540 4.547 -8.121 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.864 2.990 -5.868 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.957 3.655 -6.987 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.008 5.065 -6.458 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.017 4.592 -8.173 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.838 1.562 -7.622 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.846 2.395 -8.842 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.064 1.433 -7.566 1.00 0.00 H new ATOM 1365 N VAL A 88 -3.708 6.421 -6.463 1.00 0.00 N ATOM 1366 CA VAL A 88 -3.580 7.561 -5.564 1.00 0.00 C ATOM 1367 C VAL A 88 -4.939 8.002 -5.013 1.00 0.00 C ATOM 1368 O VAL A 88 -5.230 9.197 -4.922 1.00 0.00 O ATOM 1369 CB VAL A 88 -2.904 8.748 -6.283 1.00 0.00 C ATOM 1370 CG1 VAL A 88 -1.475 8.394 -6.662 1.00 0.00 C ATOM 1371 CG2 VAL A 88 -3.691 9.150 -7.522 1.00 0.00 C ATOM 0 H VAL A 88 -4.039 6.657 -7.398 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.958 7.243 -4.727 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.887 9.595 -5.597 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.012 9.241 -7.168 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.908 8.155 -5.762 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.478 7.531 -7.328 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.195 9.988 -8.012 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.742 8.306 -8.210 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.700 9.444 -7.233 1.00 0.00 H new ATOM 1381 N GLY A 89 -5.765 7.041 -4.623 1.00 0.00 N ATOM 1382 CA GLY A 89 -7.094 7.367 -4.165 1.00 0.00 C ATOM 1383 C GLY A 89 -7.873 6.144 -3.750 1.00 0.00 C ATOM 1384 O GLY A 89 -8.012 5.197 -4.525 1.00 0.00 O ATOM 0 H GLY A 89 -5.537 6.047 -4.617 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.027 8.055 -3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.632 7.886 -4.958 1.00 0.00 H new ATOM 1388 N ALA A 90 -8.348 6.160 -2.515 1.00 0.00 N ATOM 1389 CA ALA A 90 -9.179 5.099 -1.981 1.00 0.00 C ATOM 1390 C ALA A 90 -10.432 4.894 -2.812 1.00 0.00 C ATOM 1391 O ALA A 90 -11.369 5.689 -2.749 1.00 0.00 O ATOM 1392 CB ALA A 90 -9.560 5.430 -0.558 1.00 0.00 C ATOM 0 H ALA A 90 -8.166 6.914 -1.853 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.606 4.172 -2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.185 4.634 -0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.658 5.526 0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.112 6.370 -0.538 1.00 0.00 H new ATOM 1398 N ASN A 91 -10.441 3.840 -3.596 1.00 0.00 N ATOM 1399 CA ASN A 91 -11.604 3.509 -4.393 1.00 0.00 C ATOM 1400 C ASN A 91 -12.163 2.168 -3.940 1.00 0.00 C ATOM 1401 O ASN A 91 -11.783 1.132 -4.475 1.00 0.00 O ATOM 1402 CB ASN A 91 -11.218 3.458 -5.869 1.00 0.00 C ATOM 1403 CG ASN A 91 -12.136 4.294 -6.742 1.00 0.00 C ATOM 1404 OD1 ASN A 91 -11.722 4.806 -7.780 1.00 0.00 O ATOM 1405 ND2 ASN A 91 -13.385 4.439 -6.330 1.00 0.00 N ATOM 0 H ASN A 91 -9.657 3.196 -3.700 1.00 0.00 H new ATOM 0 HA ASN A 91 -12.370 4.273 -4.261 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.193 3.810 -5.985 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.241 2.423 -6.211 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -14.043 4.992 -6.880 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -13.690 3.998 -5.462 1.00 0.00 H new ATOM 1412 N PRO A 92 -13.080 2.189 -2.952 1.00 0.00 N ATOM 1413 CA PRO A 92 -13.615 0.994 -2.290 1.00 0.00 C ATOM 1414 C PRO A 92 -13.697 -0.256 -3.173 1.00 0.00 C ATOM 1415 O PRO A 92 -12.851 -1.141 -3.070 1.00 0.00 O ATOM 1416 CB PRO A 92 -15.001 1.461 -1.866 1.00 0.00 C ATOM 1417 CG PRO A 92 -14.814 2.902 -1.520 1.00 0.00 C ATOM 1418 CD PRO A 92 -13.665 3.412 -2.364 1.00 0.00 C ATOM 0 HA PRO A 92 -12.966 0.663 -1.479 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.726 1.336 -2.670 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.369 0.891 -1.013 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -15.723 3.469 -1.722 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -14.595 3.019 -0.459 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -14.012 4.099 -3.136 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -12.936 3.952 -1.760 1.00 0.00 H new ATOM 1426 N ALA A 93 -14.682 -0.312 -4.057 1.00 0.00 N ATOM 1427 CA ALA A 93 -14.934 -1.521 -4.835 1.00 0.00 C ATOM 1428 C ALA A 93 -13.867 -1.750 -5.892 1.00 0.00 C ATOM 1429 O ALA A 93 -13.417 -2.878 -6.098 1.00 0.00 O ATOM 1430 CB ALA A 93 -16.304 -1.456 -5.487 1.00 0.00 C ATOM 0 H ALA A 93 -15.318 0.460 -4.255 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.902 -2.363 -4.143 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.476 -2.365 -6.063 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -17.070 -1.364 -4.717 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.351 -0.592 -6.150 1.00 0.00 H new ATOM 1436 N ALA A 94 -13.452 -0.679 -6.548 1.00 0.00 N ATOM 1437 CA ALA A 94 -12.494 -0.777 -7.639 1.00 0.00 C ATOM 1438 C ALA A 94 -11.142 -1.267 -7.149 1.00 0.00 C ATOM 1439 O ALA A 94 -10.404 -1.915 -7.890 1.00 0.00 O ATOM 1440 CB ALA A 94 -12.345 0.565 -8.334 1.00 0.00 C ATOM 0 H ALA A 94 -13.764 0.271 -6.344 1.00 0.00 H new ATOM 0 HA ALA A 94 -12.877 -1.507 -8.353 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.625 0.475 -9.148 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.310 0.876 -8.735 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -11.993 1.308 -7.618 1.00 0.00 H new ATOM 1446 N ILE A 95 -10.808 -0.960 -5.906 1.00 0.00 N ATOM 1447 CA ILE A 95 -9.535 -1.392 -5.365 1.00 0.00 C ATOM 1448 C ILE A 95 -9.650 -2.785 -4.756 1.00 0.00 C ATOM 1449 O ILE A 95 -8.694 -3.556 -4.801 1.00 0.00 O ATOM 1450 CB ILE A 95 -8.950 -0.398 -4.342 1.00 0.00 C ATOM 1451 CG1 ILE A 95 -8.836 1.000 -4.952 1.00 0.00 C ATOM 1452 CG2 ILE A 95 -7.583 -0.870 -3.875 1.00 0.00 C ATOM 1453 CD1 ILE A 95 -8.013 1.051 -6.221 1.00 0.00 C ATOM 0 H ILE A 95 -11.391 -0.423 -5.264 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.838 -1.427 -6.202 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.624 -0.351 -3.486 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.837 1.375 -5.165 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.393 1.672 -4.216 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.180 -0.160 -3.153 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.677 -1.850 -3.407 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.910 -0.939 -4.730 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.979 2.075 -6.592 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.000 0.707 -6.012 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.466 0.407 -6.975 1.00 0.00 H new ATOM 1465 N LYS A 96 -10.820 -3.126 -4.205 1.00 0.00 N ATOM 1466 CA LYS A 96 -11.079 -4.519 -3.823 1.00 0.00 C ATOM 1467 C LYS A 96 -10.843 -5.390 -5.043 1.00 0.00 C ATOM 1468 O LYS A 96 -10.205 -6.444 -4.976 1.00 0.00 O ATOM 1469 CB LYS A 96 -12.521 -4.748 -3.348 1.00 0.00 C ATOM 1470 CG LYS A 96 -12.971 -3.903 -2.174 1.00 0.00 C ATOM 1471 CD LYS A 96 -14.442 -4.148 -1.881 1.00 0.00 C ATOM 1472 CE LYS A 96 -14.991 -3.169 -0.857 1.00 0.00 C ATOM 1473 NZ LYS A 96 -14.384 -3.364 0.484 1.00 0.00 N ATOM 0 H LYS A 96 -11.584 -2.477 -4.017 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.414 -4.767 -2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.193 -4.560 -4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.632 -5.798 -3.079 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.373 -4.142 -1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.808 -2.848 -2.393 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -15.014 -4.064 -2.805 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.574 -5.166 -1.515 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.804 -2.150 -1.194 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -16.072 -3.288 -0.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.835 -2.722 1.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.525 -4.348 0.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.366 -3.159 0.437 1.00 0.00 H new ATOM 1487 N GLN A 97 -11.365 -4.912 -6.165 1.00 0.00 N ATOM 1488 CA GLN A 97 -11.198 -5.568 -7.447 1.00 0.00 C ATOM 1489 C GLN A 97 -9.740 -5.554 -7.877 1.00 0.00 C ATOM 1490 O GLN A 97 -9.268 -6.497 -8.505 1.00 0.00 O ATOM 1491 CB GLN A 97 -12.076 -4.874 -8.497 1.00 0.00 C ATOM 1492 CG GLN A 97 -11.923 -5.425 -9.908 1.00 0.00 C ATOM 1493 CD GLN A 97 -12.470 -6.832 -10.061 1.00 0.00 C ATOM 1494 OE1 GLN A 97 -12.467 -7.627 -9.119 1.00 0.00 O ATOM 1495 NE2 GLN A 97 -12.944 -7.152 -11.253 1.00 0.00 N ATOM 0 H GLN A 97 -11.917 -4.055 -6.207 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.508 -6.609 -7.353 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -13.120 -4.963 -8.196 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.837 -3.811 -8.507 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.436 -4.764 -10.607 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -10.868 -5.420 -10.181 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -12.929 -6.467 -12.008 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.324 -8.084 -11.417 1.00 0.00 H new ATOM 1504 N ALA A 98 -9.021 -4.501 -7.510 1.00 0.00 N ATOM 1505 CA ALA A 98 -7.625 -4.382 -7.878 1.00 0.00 C ATOM 1506 C ALA A 98 -6.816 -5.461 -7.186 1.00 0.00 C ATOM 1507 O ALA A 98 -6.186 -6.285 -7.834 1.00 0.00 O ATOM 1508 CB ALA A 98 -7.087 -3.003 -7.535 1.00 0.00 C ATOM 0 H ALA A 98 -9.384 -3.722 -6.960 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.538 -4.513 -8.957 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.037 -2.940 -7.821 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.656 -2.246 -8.074 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.181 -2.832 -6.463 1.00 0.00 H new ATOM 1514 N ILE A 99 -6.876 -5.481 -5.867 1.00 0.00 N ATOM 1515 CA ILE A 99 -6.097 -6.424 -5.076 1.00 0.00 C ATOM 1516 C ILE A 99 -6.354 -7.857 -5.538 1.00 0.00 C ATOM 1517 O ILE A 99 -5.449 -8.688 -5.552 1.00 0.00 O ATOM 1518 CB ILE A 99 -6.409 -6.336 -3.565 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -6.640 -4.893 -3.113 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -5.263 -6.955 -2.791 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -5.618 -3.921 -3.628 1.00 0.00 C ATOM 0 H ILE A 99 -7.459 -4.852 -5.315 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.052 -6.154 -5.229 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.332 -6.882 -3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.629 -4.574 -3.443 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -6.641 -4.860 -2.023 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.473 -6.898 -1.723 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.148 -7.999 -3.083 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.342 -6.414 -3.009 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.851 -2.921 -3.264 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.628 -4.213 -3.277 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.631 -3.922 -4.718 1.00 0.00 H new ATOM 1533 N ALA A 100 -7.591 -8.127 -5.945 1.00 0.00 N ATOM 1534 CA ALA A 100 -7.972 -9.459 -6.402 1.00 0.00 C ATOM 1535 C ALA A 100 -7.505 -9.708 -7.837 1.00 0.00 C ATOM 1536 O ALA A 100 -7.223 -10.845 -8.223 1.00 0.00 O ATOM 1537 CB ALA A 100 -9.478 -9.638 -6.294 1.00 0.00 C ATOM 0 H ALA A 100 -8.346 -7.441 -5.968 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.481 -10.191 -5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.751 -10.636 -6.638 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.785 -9.515 -5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.978 -8.892 -6.911 1.00 0.00 H new ATOM 1543 N ALA A 101 -7.424 -8.641 -8.620 1.00 0.00 N ATOM 1544 CA ALA A 101 -6.982 -8.727 -10.007 1.00 0.00 C ATOM 1545 C ALA A 101 -5.478 -8.935 -10.088 1.00 0.00 C ATOM 1546 O ALA A 101 -4.987 -9.716 -10.902 1.00 0.00 O ATOM 1547 CB ALA A 101 -7.362 -7.464 -10.766 1.00 0.00 C ATOM 0 H ALA A 101 -7.661 -7.697 -8.315 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.479 -9.584 -10.462 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.025 -7.545 -11.799 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.445 -7.340 -10.746 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.889 -6.601 -10.297 1.00 0.00 H new ATOM 1553 N ASN A 102 -4.755 -8.232 -9.234 1.00 0.00 N ATOM 1554 CA ASN A 102 -3.301 -8.271 -9.256 1.00 0.00 C ATOM 1555 C ASN A 102 -2.775 -9.480 -8.493 1.00 0.00 C ATOM 1556 O ASN A 102 -1.617 -9.853 -8.646 1.00 0.00 O ATOM 1557 CB ASN A 102 -2.718 -6.982 -8.673 1.00 0.00 C ATOM 1558 CG ASN A 102 -3.204 -5.745 -9.400 1.00 0.00 C ATOM 1559 OD1 ASN A 102 -2.677 -5.374 -10.447 1.00 0.00 O ATOM 1560 ND2 ASN A 102 -4.195 -5.085 -8.825 1.00 0.00 N ATOM 0 H ASN A 102 -5.151 -7.626 -8.515 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.984 -8.359 -10.295 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -2.987 -6.909 -7.619 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.630 -7.024 -8.722 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -4.553 -4.230 -9.251 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -4.602 -5.431 -7.956 1.00 0.00 H new ATOM 1567 N ALA A 103 -3.628 -10.087 -7.678 1.00 0.00 N ATOM 1568 CA ALA A 103 -3.255 -11.272 -6.912 1.00 0.00 C ATOM 1569 C ALA A 103 -2.813 -12.414 -7.825 1.00 0.00 C ATOM 1570 O ALA A 103 -1.595 -12.705 -7.881 1.00 0.00 O ATOM 1571 CB ALA A 103 -4.413 -11.718 -6.033 1.00 0.00 C ATOM 1572 OXT ALA A 103 -3.680 -13.017 -8.488 1.00 0.00 O ATOM 0 H ALA A 103 -4.588 -9.777 -7.529 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.409 -11.006 -6.279 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.121 -12.603 -5.467 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.676 -10.916 -5.343 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.274 -11.955 -6.658 1.00 0.00 H new