USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 773 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 31 THR OG1 : rot -132:sc= 0.047 USER MOD Set 1.2: A 33 SER OG : rot 180:sc= 0.00556 USER MOD Set 2.1: A 12 ASN :FLIP amide:sc= -0.352 F(o=-2.6,f=-0.63) USER MOD Set 2.2: A 84 TYR OH : rot 180:sc= -0.281 USER MOD Single : A 6 SER OG : rot 100:sc= 0.0181 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 157:sc= -0.078 (180deg=-0.487) USER MOD Single : A 20 THR OG1 : rot 67:sc= 0.0867 USER MOD Single : A 23 THR OG1 : rot 170:sc= -0.411 USER MOD Single : A 27 SER OG : rot 21:sc= 0.612 USER MOD Single : A 29 HIS :FLIP no HE2:sc= -0.0442 F(o=-1.8,f=-0.044) USER MOD Single : A 35 SER OG : rot 70:sc= -8.2! USER MOD Single : A 39 LYS NZ :NH3+ -169:sc= 0.113 (180deg=-0.17) USER MOD Single : A 44 ASN : amide:sc= -0.696 K(o=-0.7,f=-3.5!) USER MOD Single : A 45 LYS NZ :NH3+ 147:sc= -0.553 (180deg=-1.28) USER MOD Single : A 47 GLN : amide:sc= -1.46 K(o=-1.5,f=-5.3!) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.151 USER MOD Single : A 52 LYS NZ :NH3+ 154:sc= -0.124 (180deg=-0.455) USER MOD Single : A 53 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.02) USER MOD Single : A 59 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0341) USER MOD Single : A 60 ASN : amide:sc= -0.193 K(o=-0.19,f=-2.4!) USER MOD Single : A 61 HIS : no HD1:sc= -0.402 X(o=-0.4,f=-0.033) USER MOD Single : A 63 LYS NZ :NH3+ -166:sc= -2.61 (180deg=-3.16!) USER MOD Single : A 69 ASN : amide:sc= -2.25! C(o=-2.3!,f=-14!) USER MOD Single : A 73 HIS : no HD1:sc= -6.01 X(o=-6,f=-5.7!) USER MOD Single : A 76 SER OG : rot 170:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot -22:sc= 0.173 USER MOD Single : A 90 THR OG1 : rot -61:sc= 0.576 USER MOD Single : A 96 TYR OH : rot 180:sc=-0.00433 USER MOD Single : A 99 SER OG : rot -150:sc= -1.28 USER MOD ----------------------------------------------------------------- ATOM 62 N GLU A 5 -2.154 -7.047 -8.823 1.00 0.00 N ATOM 63 CA GLU A 5 -2.989 -7.118 -10.012 1.00 0.00 C ATOM 64 C GLU A 5 -4.137 -6.124 -9.925 1.00 0.00 C ATOM 65 O GLU A 5 -4.243 -5.199 -10.730 1.00 0.00 O ATOM 66 CB GLU A 5 -3.536 -8.540 -10.201 1.00 0.00 C ATOM 67 CG GLU A 5 -3.453 -9.418 -8.959 1.00 0.00 C ATOM 68 CD GLU A 5 -4.437 -10.571 -8.994 1.00 0.00 C ATOM 69 OE1 GLU A 5 -4.116 -11.606 -9.615 1.00 0.00 O ATOM 70 OE2 GLU A 5 -5.528 -10.438 -8.402 1.00 0.00 O ATOM 0 HA GLU A 5 -2.373 -6.861 -10.874 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.577 -8.476 -10.517 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.987 -9.023 -11.009 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.441 -9.811 -8.864 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.643 -8.809 -8.075 1.00 0.00 H new ATOM 77 N SER A 6 -4.989 -6.329 -8.938 1.00 0.00 N ATOM 78 CA SER A 6 -6.141 -5.463 -8.717 1.00 0.00 C ATOM 79 C SER A 6 -6.805 -5.784 -7.382 1.00 0.00 C ATOM 80 O SER A 6 -6.775 -6.926 -6.925 1.00 0.00 O ATOM 81 CB SER A 6 -7.152 -5.622 -9.854 1.00 0.00 C ATOM 82 OG SER A 6 -8.101 -4.570 -9.844 1.00 0.00 O ATOM 0 H SER A 6 -4.907 -7.094 -8.269 1.00 0.00 H new ATOM 0 HA SER A 6 -5.793 -4.430 -8.695 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.629 -5.635 -10.810 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.665 -6.579 -9.758 1.00 0.00 H new ATOM 0 HG SER A 6 -7.853 -3.900 -10.515 1.00 0.00 H new ATOM 88 N ILE A 7 -7.404 -4.773 -6.760 1.00 0.00 N ATOM 89 CA ILE A 7 -8.071 -4.962 -5.479 1.00 0.00 C ATOM 90 C ILE A 7 -9.292 -4.057 -5.356 1.00 0.00 C ATOM 91 O ILE A 7 -9.209 -2.851 -5.585 1.00 0.00 O ATOM 92 CB ILE A 7 -7.119 -4.689 -4.298 1.00 0.00 C ATOM 93 CG1 ILE A 7 -6.625 -3.240 -4.327 1.00 0.00 C ATOM 94 CG2 ILE A 7 -5.946 -5.658 -4.331 1.00 0.00 C ATOM 95 CD1 ILE A 7 -7.064 -2.430 -3.127 1.00 0.00 C ATOM 0 H ILE A 7 -7.441 -3.820 -7.121 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.389 -6.004 -5.441 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.667 -4.842 -3.368 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.536 -3.236 -4.380 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -6.990 -2.758 -5.234 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.282 -5.454 -3.491 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.317 -6.681 -4.260 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.398 -5.535 -5.265 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.679 -1.414 -3.213 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -8.153 -2.403 -3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.677 -2.889 -2.217 1.00 0.00 H new ATOM 107 N ARG A 8 -10.425 -4.649 -4.993 1.00 0.00 N ATOM 108 CA ARG A 8 -11.663 -3.897 -4.840 1.00 0.00 C ATOM 109 C ARG A 8 -12.298 -4.167 -3.480 1.00 0.00 C ATOM 110 O ARG A 8 -12.545 -5.317 -3.115 1.00 0.00 O ATOM 111 CB ARG A 8 -12.646 -4.259 -5.955 1.00 0.00 C ATOM 112 CG ARG A 8 -12.835 -5.755 -6.138 1.00 0.00 C ATOM 113 CD ARG A 8 -14.038 -6.061 -7.015 1.00 0.00 C ATOM 114 NE ARG A 8 -15.287 -6.043 -6.257 1.00 0.00 N ATOM 115 CZ ARG A 8 -16.490 -5.924 -6.813 1.00 0.00 C ATOM 116 NH1 ARG A 8 -16.612 -5.811 -8.130 1.00 0.00 N ATOM 117 NH2 ARG A 8 -17.575 -5.917 -6.050 1.00 0.00 N ATOM 0 H ARG A 8 -10.511 -5.647 -4.800 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.424 -2.835 -4.906 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.612 -3.803 -5.738 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.294 -3.829 -6.892 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.939 -6.184 -6.586 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.963 -6.228 -5.165 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -14.093 -5.331 -7.822 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -13.909 -7.039 -7.478 1.00 0.00 H new ATOM 0 HE ARG A 8 -15.234 -6.127 -5.242 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -15.781 -5.815 -8.721 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -17.537 -5.720 -8.551 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -17.487 -6.003 -5.037 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -18.497 -5.826 -6.476 1.00 0.00 H new ATOM 131 N PHE A 9 -12.563 -3.099 -2.736 1.00 0.00 N ATOM 132 CA PHE A 9 -13.174 -3.218 -1.416 1.00 0.00 C ATOM 133 C PHE A 9 -14.626 -2.755 -1.455 1.00 0.00 C ATOM 134 O PHE A 9 -14.972 -1.709 -0.904 1.00 0.00 O ATOM 135 CB PHE A 9 -12.390 -2.406 -0.377 1.00 0.00 C ATOM 136 CG PHE A 9 -11.674 -1.211 -0.944 1.00 0.00 C ATOM 137 CD1 PHE A 9 -12.375 -0.213 -1.602 1.00 0.00 C ATOM 138 CD2 PHE A 9 -10.300 -1.088 -0.818 1.00 0.00 C ATOM 139 CE1 PHE A 9 -11.718 0.885 -2.125 1.00 0.00 C ATOM 140 CE2 PHE A 9 -9.637 0.007 -1.339 1.00 0.00 C ATOM 141 CZ PHE A 9 -10.347 0.995 -1.993 1.00 0.00 C ATOM 0 H PHE A 9 -12.365 -2.141 -3.024 1.00 0.00 H new ATOM 0 HA PHE A 9 -13.148 -4.268 -1.126 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -13.077 -2.070 0.399 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -11.661 -3.059 0.104 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -13.447 -0.294 -1.707 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.740 -1.857 -0.307 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -12.276 1.656 -2.636 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -8.565 0.090 -1.235 1.00 0.00 H new ATOM 0 HZ PHE A 9 -9.831 1.852 -2.400 1.00 0.00 H new ATOM 151 N GLY A 10 -15.471 -3.539 -2.114 1.00 0.00 N ATOM 152 CA GLY A 10 -16.875 -3.194 -2.221 1.00 0.00 C ATOM 153 C GLY A 10 -17.193 -2.480 -3.523 1.00 0.00 C ATOM 154 O GLY A 10 -16.765 -2.921 -4.590 1.00 0.00 O ATOM 0 H GLY A 10 -15.208 -4.409 -2.577 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -17.476 -4.100 -2.149 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.156 -2.558 -1.382 1.00 0.00 H new ATOM 158 N PRO A 11 -17.946 -1.366 -3.473 1.00 0.00 N ATOM 159 CA PRO A 11 -18.307 -0.606 -4.670 1.00 0.00 C ATOM 160 C PRO A 11 -17.185 0.317 -5.145 1.00 0.00 C ATOM 161 O PRO A 11 -17.361 1.078 -6.096 1.00 0.00 O ATOM 162 CB PRO A 11 -19.505 0.213 -4.200 1.00 0.00 C ATOM 163 CG PRO A 11 -19.250 0.450 -2.751 1.00 0.00 C ATOM 164 CD PRO A 11 -18.506 -0.761 -2.247 1.00 0.00 C ATOM 0 HA PRO A 11 -18.511 -1.255 -5.522 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -19.583 1.152 -4.748 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -20.440 -0.326 -4.356 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -18.663 1.356 -2.603 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -20.186 0.585 -2.209 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -17.721 -0.484 -1.543 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -19.171 -1.451 -1.728 1.00 0.00 H new ATOM 172 N ASN A 12 -16.033 0.249 -4.480 1.00 0.00 N ATOM 173 CA ASN A 12 -14.893 1.084 -4.842 1.00 0.00 C ATOM 174 C ASN A 12 -13.668 0.235 -5.165 1.00 0.00 C ATOM 175 O ASN A 12 -13.006 -0.284 -4.266 1.00 0.00 O ATOM 176 CB ASN A 12 -14.566 2.053 -3.704 1.00 0.00 C ATOM 177 CG ASN A 12 -15.643 3.102 -3.510 1.00 0.00 C ATOM 178 OD1 ASN A 12 -16.001 3.789 -4.588 1.00 0.00 O flip ATOM 179 ND2 ASN A 12 -16.147 3.293 -2.403 1.00 0.00 N flip ATOM 0 H ASN A 12 -15.866 -0.374 -3.690 1.00 0.00 H new ATOM 0 HA ASN A 12 -15.162 1.651 -5.733 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -14.438 1.492 -2.778 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -13.616 2.546 -3.912 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -15.841 2.741 -1.601 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -16.870 4.003 -2.288 1.00 0.00 H new ATOM 186 N VAL A 13 -13.366 0.105 -6.453 1.00 0.00 N ATOM 187 CA VAL A 13 -12.214 -0.674 -6.892 1.00 0.00 C ATOM 188 C VAL A 13 -10.938 0.155 -6.802 1.00 0.00 C ATOM 189 O VAL A 13 -10.988 1.384 -6.798 1.00 0.00 O ATOM 190 CB VAL A 13 -12.389 -1.170 -8.340 1.00 0.00 C ATOM 191 CG1 VAL A 13 -11.277 -2.139 -8.712 1.00 0.00 C ATOM 192 CG2 VAL A 13 -13.754 -1.818 -8.521 1.00 0.00 C ATOM 0 H VAL A 13 -13.902 0.529 -7.210 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.138 -1.537 -6.230 1.00 0.00 H new ATOM 0 HB VAL A 13 -12.328 -0.311 -9.008 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.418 -2.478 -9.738 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.313 -1.638 -8.625 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.302 -2.997 -8.040 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.860 -2.162 -9.550 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -13.847 -2.666 -7.843 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -14.535 -1.090 -8.300 1.00 0.00 H new ATOM 202 N PHE A 14 -9.794 -0.520 -6.729 1.00 0.00 N ATOM 203 CA PHE A 14 -8.513 0.170 -6.639 1.00 0.00 C ATOM 204 C PHE A 14 -7.479 -0.471 -7.558 1.00 0.00 C ATOM 205 O PHE A 14 -6.886 -1.497 -7.223 1.00 0.00 O ATOM 206 CB PHE A 14 -8.003 0.163 -5.197 1.00 0.00 C ATOM 207 CG PHE A 14 -6.781 1.011 -4.988 1.00 0.00 C ATOM 208 CD1 PHE A 14 -6.894 2.382 -4.817 1.00 0.00 C ATOM 209 CD2 PHE A 14 -5.520 0.438 -4.962 1.00 0.00 C ATOM 210 CE1 PHE A 14 -5.771 3.165 -4.625 1.00 0.00 C ATOM 211 CE2 PHE A 14 -4.394 1.215 -4.770 1.00 0.00 C ATOM 212 CZ PHE A 14 -4.520 2.580 -4.601 1.00 0.00 C ATOM 0 H PHE A 14 -9.729 -1.538 -6.730 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.666 1.201 -6.958 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.797 0.515 -4.538 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.778 -0.863 -4.905 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.870 2.844 -4.834 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.416 -0.629 -5.093 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -5.872 4.232 -4.494 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.417 0.756 -4.752 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.641 3.189 -4.450 1.00 0.00 H new ATOM 222 N TYR A 15 -7.266 0.142 -8.718 1.00 0.00 N ATOM 223 CA TYR A 15 -6.300 -0.366 -9.684 1.00 0.00 C ATOM 224 C TYR A 15 -4.881 0.012 -9.276 1.00 0.00 C ATOM 225 O TYR A 15 -4.497 1.180 -9.336 1.00 0.00 O ATOM 226 CB TYR A 15 -6.605 0.180 -11.080 1.00 0.00 C ATOM 227 CG TYR A 15 -7.879 -0.369 -11.682 1.00 0.00 C ATOM 228 CD1 TYR A 15 -7.975 -1.703 -12.056 1.00 0.00 C ATOM 229 CD2 TYR A 15 -8.985 0.449 -11.876 1.00 0.00 C ATOM 230 CE1 TYR A 15 -9.138 -2.207 -12.608 1.00 0.00 C ATOM 231 CE2 TYR A 15 -10.151 -0.048 -12.427 1.00 0.00 C ATOM 232 CZ TYR A 15 -10.222 -1.376 -12.791 1.00 0.00 C ATOM 233 OH TYR A 15 -11.382 -1.875 -13.340 1.00 0.00 O ATOM 0 H TYR A 15 -7.749 0.991 -9.011 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.379 -1.453 -9.704 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.677 1.266 -11.028 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -5.771 -0.053 -11.742 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -7.128 -2.357 -11.913 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -8.933 1.490 -11.592 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -9.197 -3.247 -12.894 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.002 0.601 -12.572 1.00 0.00 H new ATOM 0 HH TYR A 15 -12.050 -1.160 -13.400 1.00 0.00 H new ATOM 243 N VAL A 16 -4.107 -0.982 -8.856 1.00 0.00 N ATOM 244 CA VAL A 16 -2.730 -0.755 -8.432 1.00 0.00 C ATOM 245 C VAL A 16 -1.897 -0.117 -9.542 1.00 0.00 C ATOM 246 O VAL A 16 -0.846 0.467 -9.280 1.00 0.00 O ATOM 247 CB VAL A 16 -2.053 -2.067 -7.987 1.00 0.00 C ATOM 248 CG1 VAL A 16 -2.480 -2.436 -6.575 1.00 0.00 C ATOM 249 CG2 VAL A 16 -2.372 -3.195 -8.958 1.00 0.00 C ATOM 0 H VAL A 16 -4.410 -1.954 -8.800 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.777 -0.071 -7.585 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.974 -1.913 -7.989 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.992 -3.364 -6.278 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.193 -1.640 -5.888 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.561 -2.569 -6.545 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.884 -4.111 -8.625 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.450 -3.350 -8.994 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.010 -2.933 -9.952 1.00 0.00 H new ATOM 259 N LEU A 17 -2.365 -0.234 -10.782 1.00 0.00 N ATOM 260 CA LEU A 17 -1.651 0.332 -11.922 1.00 0.00 C ATOM 261 C LEU A 17 -2.300 1.631 -12.395 1.00 0.00 C ATOM 262 O LEU A 17 -1.627 2.507 -12.939 1.00 0.00 O ATOM 263 CB LEU A 17 -1.609 -0.676 -13.073 1.00 0.00 C ATOM 264 CG LEU A 17 -0.732 -1.904 -12.826 1.00 0.00 C ATOM 265 CD1 LEU A 17 -1.202 -3.074 -13.676 1.00 0.00 C ATOM 266 CD2 LEU A 17 0.726 -1.584 -13.116 1.00 0.00 C ATOM 0 H LEU A 17 -3.232 -0.714 -11.022 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.634 0.557 -11.600 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.626 -1.010 -13.280 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.252 -0.167 -13.968 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.820 -2.185 -11.777 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.566 -3.939 -13.487 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.233 -3.318 -13.420 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.144 -2.804 -14.730 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.336 -2.469 -12.935 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.831 -1.278 -14.157 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.058 -0.776 -12.464 1.00 0.00 H new ATOM 278 N LYS A 18 -3.608 1.749 -12.191 1.00 0.00 N ATOM 279 CA LYS A 18 -4.340 2.942 -12.604 1.00 0.00 C ATOM 280 C LYS A 18 -4.302 4.016 -11.520 1.00 0.00 C ATOM 281 O LYS A 18 -4.350 5.210 -11.816 1.00 0.00 O ATOM 282 CB LYS A 18 -5.790 2.584 -12.937 1.00 0.00 C ATOM 283 CG LYS A 18 -6.298 3.234 -14.215 1.00 0.00 C ATOM 284 CD LYS A 18 -6.906 2.209 -15.159 1.00 0.00 C ATOM 285 CE LYS A 18 -6.945 2.722 -16.590 1.00 0.00 C ATOM 286 NZ LYS A 18 -5.579 2.898 -17.156 1.00 0.00 N ATOM 0 H LYS A 18 -4.182 1.035 -11.743 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.856 3.342 -13.495 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.876 1.501 -13.030 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.430 2.884 -12.107 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.044 3.990 -13.968 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.476 3.748 -14.714 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.327 1.287 -15.118 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.917 1.966 -14.831 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.507 2.024 -17.210 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.475 3.674 -16.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.626 2.864 -18.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.195 3.817 -16.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.960 2.136 -16.812 1.00 0.00 H new ATOM 300 N LEU A 19 -4.217 3.586 -10.266 1.00 0.00 N ATOM 301 CA LEU A 19 -4.175 4.514 -9.141 1.00 0.00 C ATOM 302 C LEU A 19 -5.435 5.373 -9.095 1.00 0.00 C ATOM 303 O LEU A 19 -5.395 6.528 -8.671 1.00 0.00 O ATOM 304 CB LEU A 19 -2.938 5.410 -9.236 1.00 0.00 C ATOM 305 CG LEU A 19 -1.625 4.750 -8.809 1.00 0.00 C ATOM 306 CD1 LEU A 19 -0.439 5.483 -9.415 1.00 0.00 C ATOM 307 CD2 LEU A 19 -1.516 4.715 -7.292 1.00 0.00 C ATOM 0 H LEU A 19 -4.176 2.601 -10.003 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.122 3.928 -8.223 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.836 5.754 -10.265 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.100 6.294 -8.619 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.618 3.724 -9.177 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.486 5.000 -9.101 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.511 5.456 -10.502 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.440 6.519 -9.077 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.576 4.242 -7.006 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.544 5.732 -6.902 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.349 4.145 -6.880 1.00 0.00 H new ATOM 319 N THR A 20 -6.551 4.801 -9.533 1.00 0.00 N ATOM 320 CA THR A 20 -7.824 5.513 -9.541 1.00 0.00 C ATOM 321 C THR A 20 -8.922 4.669 -8.902 1.00 0.00 C ATOM 322 O THR A 20 -9.152 3.527 -9.301 1.00 0.00 O ATOM 323 CB THR A 20 -8.216 5.884 -10.972 1.00 0.00 C ATOM 324 OG1 THR A 20 -7.201 6.658 -11.585 1.00 0.00 O ATOM 325 CG2 THR A 20 -9.506 6.670 -11.055 1.00 0.00 C ATOM 0 H THR A 20 -6.600 3.846 -9.887 1.00 0.00 H new ATOM 0 HA THR A 20 -7.706 6.426 -8.957 1.00 0.00 H new ATOM 0 HB THR A 20 -8.355 4.934 -11.489 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.402 6.106 -11.714 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.725 6.900 -12.098 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.320 6.079 -10.635 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.404 7.598 -10.492 1.00 0.00 H new ATOM 333 N VAL A 21 -9.596 5.237 -7.907 1.00 0.00 N ATOM 334 CA VAL A 21 -10.670 4.534 -7.213 1.00 0.00 C ATOM 335 C VAL A 21 -11.972 4.611 -8.002 1.00 0.00 C ATOM 336 O VAL A 21 -12.558 5.683 -8.150 1.00 0.00 O ATOM 337 CB VAL A 21 -10.907 5.104 -5.798 1.00 0.00 C ATOM 338 CG1 VAL A 21 -11.515 4.046 -4.890 1.00 0.00 C ATOM 339 CG2 VAL A 21 -9.612 5.638 -5.202 1.00 0.00 C ATOM 0 H VAL A 21 -9.418 6.181 -7.563 1.00 0.00 H new ATOM 0 HA VAL A 21 -10.357 3.494 -7.125 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.609 5.933 -5.882 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.675 4.467 -3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.469 3.717 -5.302 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.838 3.195 -4.819 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.806 6.034 -4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.882 4.831 -5.136 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.219 6.432 -5.837 1.00 0.00 H new ATOM 349 N GLU A 22 -12.418 3.466 -8.511 1.00 0.00 N ATOM 350 CA GLU A 22 -13.650 3.404 -9.288 1.00 0.00 C ATOM 351 C GLU A 22 -14.869 3.632 -8.400 1.00 0.00 C ATOM 352 O GLU A 22 -15.287 2.741 -7.663 1.00 0.00 O ATOM 353 CB GLU A 22 -13.766 2.051 -9.993 1.00 0.00 C ATOM 354 CG GLU A 22 -12.882 1.929 -11.224 1.00 0.00 C ATOM 355 CD GLU A 22 -13.650 1.492 -12.456 1.00 0.00 C ATOM 356 OE1 GLU A 22 -13.929 0.281 -12.583 1.00 0.00 O ATOM 357 OE2 GLU A 22 -13.973 2.360 -13.294 1.00 0.00 O ATOM 0 H GLU A 22 -11.944 2.570 -8.399 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.616 4.196 -10.036 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.506 1.260 -9.289 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.804 1.890 -10.284 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.405 2.889 -11.420 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.085 1.212 -11.024 1.00 0.00 H new ATOM 364 N THR A 23 -15.435 4.832 -8.478 1.00 0.00 N ATOM 365 CA THR A 23 -16.606 5.178 -7.682 1.00 0.00 C ATOM 366 C THR A 23 -17.884 5.028 -8.505 1.00 0.00 C ATOM 367 O THR A 23 -17.832 4.844 -9.721 1.00 0.00 O ATOM 368 CB THR A 23 -16.488 6.609 -7.152 1.00 0.00 C ATOM 369 OG1 THR A 23 -15.488 7.325 -7.857 1.00 0.00 O ATOM 370 CG2 THR A 23 -16.146 6.675 -5.679 1.00 0.00 C ATOM 0 H THR A 23 -15.101 5.581 -9.085 1.00 0.00 H new ATOM 0 HA THR A 23 -16.656 4.492 -6.837 1.00 0.00 H new ATOM 0 HB THR A 23 -17.472 7.054 -7.301 1.00 0.00 H new ATOM 0 HG1 THR A 23 -15.536 8.274 -7.619 1.00 0.00 H new ATOM 0 HG21 THR A 23 -16.077 7.717 -5.368 1.00 0.00 H new ATOM 0 HG22 THR A 23 -16.924 6.174 -5.102 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.190 6.181 -5.505 1.00 0.00 H new ATOM 378 N PRO A 24 -19.053 5.105 -7.848 1.00 0.00 N ATOM 379 CA PRO A 24 -20.345 4.976 -8.517 1.00 0.00 C ATOM 380 C PRO A 24 -20.765 6.261 -9.223 1.00 0.00 C ATOM 381 O PRO A 24 -21.513 6.228 -10.200 1.00 0.00 O ATOM 382 CB PRO A 24 -21.294 4.660 -7.364 1.00 0.00 C ATOM 383 CG PRO A 24 -20.694 5.337 -6.183 1.00 0.00 C ATOM 384 CD PRO A 24 -19.204 5.321 -6.397 1.00 0.00 C ATOM 0 HA PRO A 24 -20.332 4.219 -9.301 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -22.299 5.032 -7.565 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -21.378 3.585 -7.204 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -21.063 6.359 -6.092 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -20.960 4.819 -5.262 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -18.746 6.259 -6.084 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -18.727 4.526 -5.824 1.00 0.00 H new ATOM 392 N GLU A 25 -20.279 7.392 -8.723 1.00 0.00 N ATOM 393 CA GLU A 25 -20.604 8.688 -9.308 1.00 0.00 C ATOM 394 C GLU A 25 -19.663 9.014 -10.464 1.00 0.00 C ATOM 395 O GLU A 25 -20.045 9.697 -11.414 1.00 0.00 O ATOM 396 CB GLU A 25 -20.528 9.786 -8.243 1.00 0.00 C ATOM 397 CG GLU A 25 -21.831 10.547 -8.061 1.00 0.00 C ATOM 398 CD GLU A 25 -21.693 11.722 -7.114 1.00 0.00 C ATOM 399 OE1 GLU A 25 -20.631 12.379 -7.133 1.00 0.00 O ATOM 400 OE2 GLU A 25 -22.648 11.987 -6.353 1.00 0.00 O ATOM 0 H GLU A 25 -19.659 7.438 -7.914 1.00 0.00 H new ATOM 0 HA GLU A 25 -21.622 8.640 -9.696 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -20.242 9.338 -7.291 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -19.741 10.489 -8.514 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -22.176 10.905 -9.031 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -22.594 9.867 -7.682 1.00 0.00 H new ATOM 407 N GLY A 26 -18.432 8.519 -10.377 1.00 0.00 N ATOM 408 CA GLY A 26 -17.458 8.768 -11.422 1.00 0.00 C ATOM 409 C GLY A 26 -16.120 8.114 -11.137 1.00 0.00 C ATOM 410 O GLY A 26 -15.939 6.922 -11.386 1.00 0.00 O ATOM 0 H GLY A 26 -18.093 7.950 -9.601 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -17.845 8.397 -12.371 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -17.317 9.843 -11.534 1.00 0.00 H new ATOM 414 N SER A 27 -15.180 8.895 -10.614 1.00 0.00 N ATOM 415 CA SER A 27 -13.851 8.385 -10.295 1.00 0.00 C ATOM 416 C SER A 27 -13.188 9.231 -9.213 1.00 0.00 C ATOM 417 O SER A 27 -13.684 10.298 -8.854 1.00 0.00 O ATOM 418 CB SER A 27 -12.975 8.364 -11.549 1.00 0.00 C ATOM 419 OG SER A 27 -13.271 7.240 -12.360 1.00 0.00 O ATOM 0 H SER A 27 -15.314 9.884 -10.402 1.00 0.00 H new ATOM 0 HA SER A 27 -13.961 7.368 -9.919 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.130 9.279 -12.120 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.924 8.342 -11.262 1.00 0.00 H new ATOM 0 HG SER A 27 -14.164 6.902 -12.138 1.00 0.00 H new ATOM 425 N VAL A 28 -12.063 8.746 -8.695 1.00 0.00 N ATOM 426 CA VAL A 28 -11.332 9.457 -7.653 1.00 0.00 C ATOM 427 C VAL A 28 -9.829 9.423 -7.912 1.00 0.00 C ATOM 428 O VAL A 28 -9.264 8.372 -8.213 1.00 0.00 O ATOM 429 CB VAL A 28 -11.614 8.859 -6.262 1.00 0.00 C ATOM 430 CG1 VAL A 28 -11.010 9.731 -5.172 1.00 0.00 C ATOM 431 CG2 VAL A 28 -13.111 8.685 -6.048 1.00 0.00 C ATOM 0 H VAL A 28 -11.639 7.864 -8.980 1.00 0.00 H new ATOM 0 HA VAL A 28 -11.678 10.490 -7.675 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.146 7.876 -6.209 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -11.220 9.292 -4.197 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.932 9.798 -5.315 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.445 10.729 -5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -13.290 8.261 -5.060 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -13.604 9.654 -6.122 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -13.512 8.015 -6.808 1.00 0.00 H new ATOM 441 N HIS A 29 -9.188 10.582 -7.793 1.00 0.00 N ATOM 442 CA HIS A 29 -7.749 10.686 -8.013 1.00 0.00 C ATOM 443 C HIS A 29 -7.005 10.810 -6.687 1.00 0.00 C ATOM 444 O HIS A 29 -7.618 10.991 -5.635 1.00 0.00 O ATOM 445 CB HIS A 29 -7.431 11.887 -8.906 1.00 0.00 C ATOM 446 CG HIS A 29 -7.914 13.193 -8.355 1.00 0.00 C ATOM 447 ND1 HIS A 29 -8.468 13.502 -7.158 1.00 0.00 N flip ATOM 448 CD2 HIS A 29 -7.857 14.375 -9.063 1.00 0.00 C flip ATOM 449 CE1 HIS A 29 -8.730 14.849 -7.166 1.00 0.00 C flip ATOM 450 NE2 HIS A 29 -8.352 15.353 -8.325 1.00 0.00 N flip ATOM 0 H HIS A 29 -9.642 11.461 -7.546 1.00 0.00 H new ATOM 0 HA HIS A 29 -7.417 9.776 -8.512 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.353 11.942 -9.055 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.880 11.728 -9.886 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -8.656 12.854 -6.393 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.468 14.484 -10.065 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -9.174 15.406 -6.354 1.00 0.00 H new ATOM 459 N LEU A 30 -5.680 10.707 -6.742 1.00 0.00 N ATOM 460 CA LEU A 30 -4.859 10.805 -5.540 1.00 0.00 C ATOM 461 C LEU A 30 -3.380 10.914 -5.891 1.00 0.00 C ATOM 462 O LEU A 30 -2.986 10.708 -7.039 1.00 0.00 O ATOM 463 CB LEU A 30 -5.083 9.582 -4.644 1.00 0.00 C ATOM 464 CG LEU A 30 -4.886 8.223 -5.324 1.00 0.00 C ATOM 465 CD1 LEU A 30 -3.441 8.045 -5.765 1.00 0.00 C ATOM 466 CD2 LEU A 30 -5.293 7.097 -4.386 1.00 0.00 C ATOM 0 H LEU A 30 -5.154 10.556 -7.603 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.156 11.708 -5.006 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.403 9.646 -3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.096 9.626 -4.245 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.522 8.189 -6.209 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.324 7.073 -6.245 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.176 8.833 -6.470 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.786 8.101 -4.896 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.147 6.138 -4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.681 7.135 -3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.343 7.210 -4.116 1.00 0.00 H new ATOM 478 N THR A 31 -2.561 11.214 -4.887 1.00 0.00 N ATOM 479 CA THR A 31 -1.123 11.319 -5.086 1.00 0.00 C ATOM 480 C THR A 31 -0.497 9.928 -5.023 1.00 0.00 C ATOM 481 O THR A 31 -0.595 9.245 -4.004 1.00 0.00 O ATOM 482 CB THR A 31 -0.497 12.230 -4.028 1.00 0.00 C ATOM 483 OG1 THR A 31 0.917 12.163 -4.081 1.00 0.00 O ATOM 484 CG2 THR A 31 -0.918 11.888 -2.616 1.00 0.00 C ATOM 0 H THR A 31 -2.870 11.388 -3.930 1.00 0.00 H new ATOM 0 HA THR A 31 -0.933 11.756 -6.066 1.00 0.00 H new ATOM 0 HB THR A 31 -0.855 13.232 -4.264 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.273 12.036 -3.177 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.438 12.573 -1.917 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.001 11.979 -2.527 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.620 10.865 -2.385 1.00 0.00 H new ATOM 492 N PRO A 32 0.138 9.475 -6.117 1.00 0.00 N ATOM 493 CA PRO A 32 0.753 8.144 -6.174 1.00 0.00 C ATOM 494 C PRO A 32 1.908 7.967 -5.195 1.00 0.00 C ATOM 495 O PRO A 32 2.392 6.853 -5.003 1.00 0.00 O ATOM 496 CB PRO A 32 1.253 8.034 -7.619 1.00 0.00 C ATOM 497 CG PRO A 32 1.372 9.441 -8.093 1.00 0.00 C ATOM 498 CD PRO A 32 0.290 10.206 -7.388 1.00 0.00 C ATOM 0 HA PRO A 32 0.038 7.371 -5.893 1.00 0.00 H new ATOM 0 HB2 PRO A 32 2.212 7.519 -7.667 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.556 7.467 -8.236 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.355 9.850 -7.859 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.251 9.500 -9.175 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.573 11.246 -7.224 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.637 10.215 -7.961 1.00 0.00 H new ATOM 506 N SER A 33 2.348 9.053 -4.573 1.00 0.00 N ATOM 507 CA SER A 33 3.444 8.972 -3.617 1.00 0.00 C ATOM 508 C SER A 33 2.935 8.543 -2.255 1.00 0.00 C ATOM 509 O SER A 33 3.579 7.759 -1.558 1.00 0.00 O ATOM 510 CB SER A 33 4.180 10.310 -3.517 1.00 0.00 C ATOM 511 OG SER A 33 4.008 11.076 -4.697 1.00 0.00 O ATOM 0 H SER A 33 1.968 9.990 -4.711 1.00 0.00 H new ATOM 0 HA SER A 33 4.149 8.221 -3.974 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.808 10.870 -2.659 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.242 10.133 -3.346 1.00 0.00 H new ATOM 0 HG SER A 33 4.486 11.927 -4.607 1.00 0.00 H new ATOM 517 N GLU A 34 1.762 9.029 -1.896 1.00 0.00 N ATOM 518 CA GLU A 34 1.151 8.658 -0.633 1.00 0.00 C ATOM 519 C GLU A 34 0.290 7.439 -0.856 1.00 0.00 C ATOM 520 O GLU A 34 0.243 6.525 -0.037 1.00 0.00 O ATOM 521 CB GLU A 34 0.327 9.809 -0.058 1.00 0.00 C ATOM 522 CG GLU A 34 1.134 10.756 0.814 1.00 0.00 C ATOM 523 CD GLU A 34 1.771 11.879 0.021 1.00 0.00 C ATOM 524 OE1 GLU A 34 2.189 11.632 -1.129 1.00 0.00 O ATOM 525 OE2 GLU A 34 1.854 13.007 0.551 1.00 0.00 O ATOM 0 H GLU A 34 1.214 9.680 -2.459 1.00 0.00 H new ATOM 0 HA GLU A 34 1.931 8.430 0.094 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.117 10.373 -0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.495 9.399 0.529 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.485 11.180 1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.912 10.194 1.330 1.00 0.00 H new ATOM 532 N SER A 35 -0.352 7.409 -2.005 1.00 0.00 N ATOM 533 CA SER A 35 -1.166 6.278 -2.370 1.00 0.00 C ATOM 534 C SER A 35 -0.258 5.163 -2.883 1.00 0.00 C ATOM 535 O SER A 35 -0.690 4.024 -3.058 1.00 0.00 O ATOM 536 CB SER A 35 -2.203 6.685 -3.415 1.00 0.00 C ATOM 537 OG SER A 35 -3.176 7.543 -2.847 1.00 0.00 O ATOM 0 H SER A 35 -0.324 8.156 -2.699 1.00 0.00 H new ATOM 0 HA SER A 35 -1.712 5.913 -1.500 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.710 7.187 -4.248 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.687 5.796 -3.820 1.00 0.00 H new ATOM 0 HG SER A 35 -2.769 8.412 -2.647 1.00 0.00 H new ATOM 543 N GLY A 36 1.025 5.501 -3.092 1.00 0.00 N ATOM 544 CA GLY A 36 1.986 4.520 -3.545 1.00 0.00 C ATOM 545 C GLY A 36 2.421 3.614 -2.419 1.00 0.00 C ATOM 546 O GLY A 36 2.615 2.414 -2.614 1.00 0.00 O ATOM 0 H GLY A 36 1.404 6.438 -2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.549 3.923 -4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.856 5.027 -3.963 1.00 0.00 H new ATOM 550 N ILE A 37 2.553 4.187 -1.228 1.00 0.00 N ATOM 551 CA ILE A 37 2.946 3.412 -0.058 1.00 0.00 C ATOM 552 C ILE A 37 1.865 2.394 0.268 1.00 0.00 C ATOM 553 O ILE A 37 2.146 1.303 0.765 1.00 0.00 O ATOM 554 CB ILE A 37 3.213 4.309 1.172 1.00 0.00 C ATOM 555 CG1 ILE A 37 3.562 3.456 2.405 1.00 0.00 C ATOM 556 CG2 ILE A 37 2.021 5.214 1.445 1.00 0.00 C ATOM 557 CD1 ILE A 37 2.368 3.052 3.250 1.00 0.00 C ATOM 0 H ILE A 37 2.395 5.178 -1.048 1.00 0.00 H new ATOM 0 HA ILE A 37 3.879 2.901 -0.297 1.00 0.00 H new ATOM 0 HB ILE A 37 4.072 4.944 0.955 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.078 2.555 2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.261 4.012 3.029 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.229 5.837 2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.840 5.849 0.578 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.138 4.605 1.638 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.707 2.454 4.096 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.862 3.946 3.616 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.676 2.466 2.645 1.00 0.00 H new ATOM 569 N LEU A 38 0.629 2.754 -0.047 1.00 0.00 N ATOM 570 CA LEU A 38 -0.506 1.872 0.176 1.00 0.00 C ATOM 571 C LEU A 38 -0.508 0.759 -0.869 1.00 0.00 C ATOM 572 O LEU A 38 -1.108 -0.296 -0.669 1.00 0.00 O ATOM 573 CB LEU A 38 -1.817 2.665 0.112 1.00 0.00 C ATOM 574 CG LEU A 38 -3.090 1.821 0.010 1.00 0.00 C ATOM 575 CD1 LEU A 38 -4.267 2.550 0.642 1.00 0.00 C ATOM 576 CD2 LEU A 38 -3.390 1.484 -1.443 1.00 0.00 C ATOM 0 H LEU A 38 0.387 3.655 -0.460 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.420 1.427 1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.887 3.291 1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.775 3.335 -0.747 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.930 0.890 0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.163 1.934 0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.054 2.742 1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.428 3.496 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.298 0.884 -1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.530 2.405 -2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.557 0.921 -1.865 1.00 0.00 H new ATOM 588 N LYS A 39 0.178 1.009 -1.983 1.00 0.00 N ATOM 589 CA LYS A 39 0.270 0.038 -3.063 1.00 0.00 C ATOM 590 C LYS A 39 1.169 -1.122 -2.667 1.00 0.00 C ATOM 591 O LYS A 39 0.900 -2.276 -3.002 1.00 0.00 O ATOM 592 CB LYS A 39 0.795 0.707 -4.336 1.00 0.00 C ATOM 593 CG LYS A 39 -0.191 0.673 -5.494 1.00 0.00 C ATOM 594 CD LYS A 39 -0.344 2.043 -6.138 1.00 0.00 C ATOM 595 CE LYS A 39 0.937 2.481 -6.830 1.00 0.00 C ATOM 596 NZ LYS A 39 0.833 2.374 -8.312 1.00 0.00 N ATOM 0 H LYS A 39 0.679 1.880 -2.158 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.728 -0.353 -3.259 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.046 1.744 -4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.718 0.214 -4.641 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.148 -0.045 -6.241 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.161 0.328 -5.137 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.159 2.017 -6.862 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.616 2.775 -5.378 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.164 3.511 -6.556 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.767 1.868 -6.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.774 2.500 -8.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.461 1.437 -8.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.191 3.110 -8.669 1.00 0.00 H new ATOM 610 N ARG A 40 2.235 -0.809 -1.946 1.00 0.00 N ATOM 611 CA ARG A 40 3.171 -1.833 -1.496 1.00 0.00 C ATOM 612 C ARG A 40 2.574 -2.633 -0.349 1.00 0.00 C ATOM 613 O ARG A 40 2.862 -3.819 -0.185 1.00 0.00 O ATOM 614 CB ARG A 40 4.502 -1.204 -1.077 1.00 0.00 C ATOM 615 CG ARG A 40 5.697 -1.757 -1.836 1.00 0.00 C ATOM 616 CD ARG A 40 6.996 -1.111 -1.383 1.00 0.00 C ATOM 617 NE ARG A 40 8.156 -1.672 -2.071 1.00 0.00 N ATOM 618 CZ ARG A 40 8.466 -1.407 -3.338 1.00 0.00 C ATOM 619 NH1 ARG A 40 7.708 -0.587 -4.057 1.00 0.00 N ATOM 620 NH2 ARG A 40 9.537 -1.961 -3.888 1.00 0.00 N ATOM 0 H ARG A 40 2.474 0.140 -1.660 1.00 0.00 H new ATOM 0 HA ARG A 40 3.361 -2.511 -2.328 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.450 -0.126 -1.231 1.00 0.00 H new ATOM 0 HB3 ARG A 40 4.652 -1.367 -0.010 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.755 -2.835 -1.688 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.560 -1.589 -2.904 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.950 -0.038 -1.566 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.112 -1.246 -0.308 1.00 0.00 H new ATOM 0 HE ARG A 40 8.764 -2.304 -1.550 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.883 -0.157 -3.639 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.951 -0.388 -5.027 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.124 -2.590 -3.340 1.00 0.00 H new ATOM 0 HH22 ARG A 40 9.775 -1.758 -4.859 1.00 0.00 H new ATOM 634 N LEU A 41 1.720 -1.982 0.425 1.00 0.00 N ATOM 635 CA LEU A 41 1.053 -2.637 1.541 1.00 0.00 C ATOM 636 C LEU A 41 -0.126 -3.453 1.029 1.00 0.00 C ATOM 637 O LEU A 41 -0.564 -4.406 1.673 1.00 0.00 O ATOM 638 CB LEU A 41 0.580 -1.604 2.566 1.00 0.00 C ATOM 639 CG LEU A 41 1.601 -1.254 3.651 1.00 0.00 C ATOM 640 CD1 LEU A 41 2.813 -0.565 3.043 1.00 0.00 C ATOM 641 CD2 LEU A 41 0.965 -0.373 4.717 1.00 0.00 C ATOM 0 H LEU A 41 1.472 -1.000 0.302 1.00 0.00 H new ATOM 0 HA LEU A 41 1.762 -3.304 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.305 -0.690 2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.324 -1.979 3.046 1.00 0.00 H new ATOM 0 HG LEU A 41 1.933 -2.179 4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.527 -0.324 3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.283 -1.229 2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.498 0.352 2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.705 -0.134 5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.604 0.548 4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.129 -0.902 5.175 1.00 0.00 H new ATOM 653 N LEU A 42 -0.621 -3.081 -0.148 1.00 0.00 N ATOM 654 CA LEU A 42 -1.734 -3.784 -0.765 1.00 0.00 C ATOM 655 C LEU A 42 -1.272 -5.133 -1.295 1.00 0.00 C ATOM 656 O LEU A 42 -2.054 -6.081 -1.378 1.00 0.00 O ATOM 657 CB LEU A 42 -2.340 -2.950 -1.897 1.00 0.00 C ATOM 658 CG LEU A 42 -3.860 -2.787 -1.836 1.00 0.00 C ATOM 659 CD1 LEU A 42 -4.539 -4.144 -1.734 1.00 0.00 C ATOM 660 CD2 LEU A 42 -4.254 -1.903 -0.662 1.00 0.00 C ATOM 0 H LEU A 42 -0.266 -2.295 -0.692 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.502 -3.945 -0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.883 -1.961 -1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.077 -3.411 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.192 -2.306 -2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.620 -4.008 -1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.283 -4.745 -2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.202 -4.653 -0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.339 -1.798 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.909 -2.357 0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.797 -0.920 -0.777 1.00 0.00 H new ATOM 672 N ILE A 43 0.009 -5.219 -1.639 1.00 0.00 N ATOM 673 CA ILE A 43 0.571 -6.466 -2.143 1.00 0.00 C ATOM 674 C ILE A 43 0.511 -7.534 -1.061 1.00 0.00 C ATOM 675 O ILE A 43 0.330 -8.718 -1.346 1.00 0.00 O ATOM 676 CB ILE A 43 2.037 -6.324 -2.614 1.00 0.00 C ATOM 677 CG1 ILE A 43 2.328 -4.906 -3.126 1.00 0.00 C ATOM 678 CG2 ILE A 43 2.330 -7.357 -3.694 1.00 0.00 C ATOM 679 CD1 ILE A 43 3.682 -4.765 -3.792 1.00 0.00 C ATOM 0 H ILE A 43 0.672 -4.447 -1.579 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.030 -6.748 -3.007 1.00 0.00 H new ATOM 0 HB ILE A 43 2.692 -6.501 -1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.552 -4.619 -3.836 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.269 -4.208 -2.291 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.364 -7.255 -4.024 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.175 -8.358 -3.292 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.661 -7.198 -4.540 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.817 -3.737 -4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.466 -5.020 -3.079 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.738 -5.437 -4.649 1.00 0.00 H new ATOM 691 N ASN A 44 0.659 -7.099 0.187 1.00 0.00 N ATOM 692 CA ASN A 44 0.617 -8.006 1.325 1.00 0.00 C ATOM 693 C ASN A 44 -0.802 -8.117 1.864 1.00 0.00 C ATOM 694 O ASN A 44 -1.288 -9.209 2.158 1.00 0.00 O ATOM 695 CB ASN A 44 1.563 -7.516 2.422 1.00 0.00 C ATOM 696 CG ASN A 44 3.017 -7.560 1.993 1.00 0.00 C ATOM 697 OD1 ASN A 44 3.323 -7.653 0.805 1.00 0.00 O ATOM 698 ND2 ASN A 44 3.922 -7.492 2.963 1.00 0.00 N ATOM 0 H ASN A 44 0.809 -6.121 0.434 1.00 0.00 H new ATOM 0 HA ASN A 44 0.940 -8.994 0.996 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.299 -6.495 2.697 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.431 -8.130 3.313 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.916 -7.516 2.736 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.623 -7.416 3.935 1.00 0.00 H new ATOM 705 N LYS A 45 -1.456 -6.973 1.981 1.00 0.00 N ATOM 706 CA LYS A 45 -2.828 -6.909 2.473 1.00 0.00 C ATOM 707 C LYS A 45 -2.970 -7.620 3.815 1.00 0.00 C ATOM 708 O LYS A 45 -3.266 -8.814 3.871 1.00 0.00 O ATOM 709 CB LYS A 45 -3.786 -7.521 1.450 1.00 0.00 C ATOM 710 CG LYS A 45 -4.429 -6.496 0.530 1.00 0.00 C ATOM 711 CD LYS A 45 -5.760 -6.010 1.082 1.00 0.00 C ATOM 712 CE LYS A 45 -5.597 -4.734 1.892 1.00 0.00 C ATOM 713 NZ LYS A 45 -6.371 -4.781 3.163 1.00 0.00 N ATOM 0 H LYS A 45 -1.056 -6.066 1.740 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.083 -5.859 2.619 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.244 -8.249 0.847 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.569 -8.065 1.978 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.756 -5.648 0.401 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.581 -6.935 -0.456 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.453 -5.834 0.259 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.200 -6.786 1.709 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.542 -4.578 2.115 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.927 -3.882 1.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.863 -4.250 3.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.309 -4.356 3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.483 -5.770 3.465 1.00 0.00 H new ATOM 727 N GLY A 46 -2.761 -6.873 4.892 1.00 0.00 N ATOM 728 CA GLY A 46 -2.872 -7.439 6.223 1.00 0.00 C ATOM 729 C GLY A 46 -1.661 -8.265 6.606 1.00 0.00 C ATOM 730 O GLY A 46 -1.754 -9.483 6.754 1.00 0.00 O ATOM 0 H GLY A 46 -2.516 -5.883 4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.002 -6.634 6.947 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.764 -8.063 6.276 1.00 0.00 H new ATOM 734 N GLN A 47 -0.522 -7.601 6.767 1.00 0.00 N ATOM 735 CA GLN A 47 0.714 -8.281 7.136 1.00 0.00 C ATOM 736 C GLN A 47 1.474 -7.490 8.194 1.00 0.00 C ATOM 737 O GLN A 47 1.411 -6.261 8.230 1.00 0.00 O ATOM 738 CB GLN A 47 1.596 -8.485 5.904 1.00 0.00 C ATOM 739 CG GLN A 47 1.316 -9.782 5.163 1.00 0.00 C ATOM 740 CD GLN A 47 2.517 -10.278 4.383 1.00 0.00 C ATOM 741 OE1 GLN A 47 2.572 -10.153 3.159 1.00 0.00 O ATOM 742 NE2 GLN A 47 3.489 -10.845 5.089 1.00 0.00 N ATOM 0 H GLN A 47 -0.429 -6.592 6.648 1.00 0.00 H new ATOM 0 HA GLN A 47 0.454 -9.254 7.553 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.451 -7.648 5.221 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.642 -8.470 6.210 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.011 -10.546 5.878 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.480 -9.633 4.480 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.402 -10.928 6.102 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.322 -11.197 4.618 1.00 0.00 H new ATOM 751 N LEU A 48 2.193 -8.202 9.055 1.00 0.00 N ATOM 752 CA LEU A 48 2.966 -7.567 10.115 1.00 0.00 C ATOM 753 C LEU A 48 4.215 -6.897 9.550 1.00 0.00 C ATOM 754 O LEU A 48 5.221 -7.556 9.289 1.00 0.00 O ATOM 755 CB LEU A 48 3.357 -8.598 11.176 1.00 0.00 C ATOM 756 CG LEU A 48 3.155 -8.145 12.623 1.00 0.00 C ATOM 757 CD1 LEU A 48 4.095 -6.998 12.961 1.00 0.00 C ATOM 758 CD2 LEU A 48 1.707 -7.738 12.854 1.00 0.00 C ATOM 0 H LEU A 48 2.256 -9.220 9.039 1.00 0.00 H new ATOM 0 HA LEU A 48 2.344 -6.800 10.577 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.776 -9.505 11.011 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.406 -8.861 11.036 1.00 0.00 H new ATOM 0 HG LEU A 48 3.387 -8.981 13.282 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.936 -6.690 13.994 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.127 -7.324 12.834 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.896 -6.157 12.297 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.579 -7.418 13.888 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.449 -6.916 12.186 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.054 -8.587 12.654 1.00 0.00 H new ATOM 770 N CYS A 49 4.143 -5.583 9.365 1.00 0.00 N ATOM 771 CA CYS A 49 5.267 -4.823 8.832 1.00 0.00 C ATOM 772 C CYS A 49 5.974 -4.049 9.941 1.00 0.00 C ATOM 773 O CYS A 49 5.479 -3.965 11.065 1.00 0.00 O ATOM 774 CB CYS A 49 4.790 -3.860 7.743 1.00 0.00 C ATOM 775 SG CYS A 49 5.399 -4.260 6.087 1.00 0.00 S ATOM 0 H CYS A 49 3.318 -5.022 9.577 1.00 0.00 H new ATOM 0 HA CYS A 49 5.976 -5.527 8.396 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.700 -3.857 7.727 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.108 -2.850 8.001 1.00 0.00 H new ATOM 0 HG CYS A 49 4.941 -3.392 5.235 1.00 0.00 H new ATOM 781 N LEU A 50 7.132 -3.486 9.616 1.00 0.00 N ATOM 782 CA LEU A 50 7.908 -2.718 10.582 1.00 0.00 C ATOM 783 C LEU A 50 8.006 -1.256 10.158 1.00 0.00 C ATOM 784 O LEU A 50 7.851 -0.930 8.981 1.00 0.00 O ATOM 785 CB LEU A 50 9.312 -3.312 10.732 1.00 0.00 C ATOM 786 CG LEU A 50 9.366 -4.833 10.902 1.00 0.00 C ATOM 787 CD1 LEU A 50 8.390 -5.291 11.975 1.00 0.00 C ATOM 788 CD2 LEU A 50 9.075 -5.529 9.581 1.00 0.00 C ATOM 0 H LEU A 50 7.555 -3.547 8.690 1.00 0.00 H new ATOM 0 HA LEU A 50 7.396 -2.768 11.543 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.899 -3.040 9.855 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.794 -2.850 11.593 1.00 0.00 H new ATOM 0 HG LEU A 50 10.373 -5.105 11.220 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.445 -6.375 12.079 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.647 -4.822 12.925 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.377 -5.005 11.692 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.118 -6.609 9.722 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.081 -5.248 9.233 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.817 -5.230 8.841 1.00 0.00 H new ATOM 800 N ARG A 51 8.265 -0.379 11.122 1.00 0.00 N ATOM 801 CA ARG A 51 8.385 1.048 10.845 1.00 0.00 C ATOM 802 C ARG A 51 9.497 1.313 9.845 1.00 0.00 C ATOM 803 O ARG A 51 9.264 1.852 8.764 1.00 0.00 O ATOM 804 CB ARG A 51 8.646 1.822 12.139 1.00 0.00 C ATOM 805 CG ARG A 51 7.423 1.941 13.034 1.00 0.00 C ATOM 806 CD ARG A 51 7.805 1.942 14.506 1.00 0.00 C ATOM 807 NE ARG A 51 7.140 3.013 15.243 1.00 0.00 N ATOM 808 CZ ARG A 51 7.015 3.034 16.568 1.00 0.00 C ATOM 809 NH1 ARG A 51 7.506 2.045 17.305 1.00 0.00 N ATOM 810 NH2 ARG A 51 6.395 4.047 17.159 1.00 0.00 N ATOM 0 H ARG A 51 8.396 -0.631 12.102 1.00 0.00 H new ATOM 0 HA ARG A 51 7.445 1.390 10.413 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.445 1.329 12.693 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.002 2.822 11.889 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.885 2.859 12.796 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.743 1.113 12.834 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.544 0.981 14.949 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.885 2.054 14.600 1.00 0.00 H new ATOM 0 HE ARG A 51 6.748 3.790 14.711 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.983 1.263 16.856 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.407 2.067 18.320 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.014 4.809 16.598 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.299 4.064 18.174 1.00 0.00 H new ATOM 824 N LYS A 52 10.703 0.918 10.217 1.00 0.00 N ATOM 825 CA LYS A 52 11.875 1.096 9.362 1.00 0.00 C ATOM 826 C LYS A 52 11.672 0.446 7.998 1.00 0.00 C ATOM 827 O LYS A 52 12.409 0.725 7.053 1.00 0.00 O ATOM 828 CB LYS A 52 13.121 0.521 10.038 1.00 0.00 C ATOM 829 CG LYS A 52 13.345 1.046 11.447 1.00 0.00 C ATOM 830 CD LYS A 52 14.824 1.240 11.741 1.00 0.00 C ATOM 831 CE LYS A 52 15.135 1.002 13.210 1.00 0.00 C ATOM 832 NZ LYS A 52 14.909 -0.416 13.603 1.00 0.00 N ATOM 0 H LYS A 52 10.901 0.468 11.111 1.00 0.00 H new ATOM 0 HA LYS A 52 12.015 2.166 9.209 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.037 -0.565 10.073 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.995 0.754 9.429 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.821 1.994 11.571 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.918 0.349 12.168 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.411 0.556 11.128 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.122 2.251 11.464 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.172 1.273 13.410 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.511 1.652 13.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.512 -0.651 14.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.910 -0.550 13.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.147 -1.039 12.805 1.00 0.00 H new ATOM 846 N HIS A 53 10.665 -0.411 7.890 1.00 0.00 N ATOM 847 CA HIS A 53 10.368 -1.070 6.631 1.00 0.00 C ATOM 848 C HIS A 53 9.381 -0.237 5.817 1.00 0.00 C ATOM 849 O HIS A 53 9.171 -0.491 4.631 1.00 0.00 O ATOM 850 CB HIS A 53 9.797 -2.467 6.884 1.00 0.00 C ATOM 851 CG HIS A 53 10.738 -3.574 6.524 1.00 0.00 C ATOM 852 ND1 HIS A 53 10.315 -4.802 6.062 1.00 0.00 N ATOM 853 CD2 HIS A 53 12.091 -3.635 6.563 1.00 0.00 C ATOM 854 CE1 HIS A 53 11.365 -5.571 5.832 1.00 0.00 C ATOM 855 NE2 HIS A 53 12.454 -4.886 6.128 1.00 0.00 N ATOM 0 H HIS A 53 10.043 -0.664 8.658 1.00 0.00 H new ATOM 0 HA HIS A 53 11.294 -1.168 6.064 1.00 0.00 H new ATOM 0 HB2 HIS A 53 9.531 -2.556 7.937 1.00 0.00 H new ATOM 0 HB3 HIS A 53 8.877 -2.583 6.312 1.00 0.00 H new ATOM 0 HD2 HIS A 53 12.759 -2.847 6.877 1.00 0.00 H new ATOM 0 HE1 HIS A 53 11.337 -6.586 5.465 1.00 0.00 H new ATOM 0 HE2 HIS A 53 13.411 -5.230 6.047 1.00 0.00 H new ATOM 864 N LEU A 54 8.778 0.763 6.461 1.00 0.00 N ATOM 865 CA LEU A 54 7.818 1.627 5.791 1.00 0.00 C ATOM 866 C LEU A 54 8.510 2.818 5.153 1.00 0.00 C ATOM 867 O LEU A 54 8.154 3.232 4.051 1.00 0.00 O ATOM 868 CB LEU A 54 6.739 2.096 6.771 1.00 0.00 C ATOM 869 CG LEU A 54 5.304 1.764 6.358 1.00 0.00 C ATOM 870 CD1 LEU A 54 4.896 0.401 6.894 1.00 0.00 C ATOM 871 CD2 LEU A 54 4.346 2.840 6.848 1.00 0.00 C ATOM 0 H LEU A 54 8.940 0.991 7.442 1.00 0.00 H new ATOM 0 HA LEU A 54 7.340 1.049 5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.934 1.647 7.745 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.825 3.176 6.894 1.00 0.00 H new ATOM 0 HG LEU A 54 5.258 1.732 5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.872 0.182 6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.564 -0.362 6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.959 0.404 7.982 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.330 2.588 6.545 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.396 2.904 7.935 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.626 3.801 6.415 1.00 0.00 H new ATOM 883 N LEU A 55 9.515 3.350 5.828 1.00 0.00 N ATOM 884 CA LEU A 55 10.258 4.477 5.278 1.00 0.00 C ATOM 885 C LEU A 55 11.343 3.973 4.335 1.00 0.00 C ATOM 886 O LEU A 55 11.956 4.751 3.606 1.00 0.00 O ATOM 887 CB LEU A 55 10.867 5.371 6.374 1.00 0.00 C ATOM 888 CG LEU A 55 11.496 4.661 7.573 1.00 0.00 C ATOM 889 CD1 LEU A 55 10.434 4.304 8.602 1.00 0.00 C ATOM 890 CD2 LEU A 55 12.270 3.433 7.122 1.00 0.00 C ATOM 0 H LEU A 55 9.833 3.029 6.742 1.00 0.00 H new ATOM 0 HA LEU A 55 9.552 5.095 4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.629 6.001 5.914 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.086 6.035 6.744 1.00 0.00 H new ATOM 0 HG LEU A 55 12.202 5.341 8.049 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.902 3.799 9.448 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.943 5.213 8.948 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.695 3.643 8.148 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.710 2.941 7.990 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.595 2.742 6.617 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.061 3.734 6.435 1.00 0.00 H new ATOM 902 N GLU A 56 11.561 2.658 4.338 1.00 0.00 N ATOM 903 CA GLU A 56 12.552 2.052 3.467 1.00 0.00 C ATOM 904 C GLU A 56 11.922 1.670 2.131 1.00 0.00 C ATOM 905 O GLU A 56 12.624 1.483 1.138 1.00 0.00 O ATOM 906 CB GLU A 56 13.167 0.819 4.132 1.00 0.00 C ATOM 907 CG GLU A 56 14.469 1.108 4.863 1.00 0.00 C ATOM 908 CD GLU A 56 15.597 0.191 4.434 1.00 0.00 C ATOM 909 OE1 GLU A 56 16.312 0.539 3.470 1.00 0.00 O ATOM 910 OE2 GLU A 56 15.766 -0.876 5.061 1.00 0.00 O ATOM 0 H GLU A 56 11.063 1.998 4.935 1.00 0.00 H new ATOM 0 HA GLU A 56 13.343 2.780 3.286 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.449 0.401 4.837 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.348 0.059 3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.760 2.143 4.683 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.309 1.003 5.936 1.00 0.00 H new ATOM 917 N GLU A 57 10.594 1.554 2.110 1.00 0.00 N ATOM 918 CA GLU A 57 9.888 1.194 0.885 1.00 0.00 C ATOM 919 C GLU A 57 9.634 2.414 0.018 1.00 0.00 C ATOM 920 O GLU A 57 9.745 2.349 -1.206 1.00 0.00 O ATOM 921 CB GLU A 57 8.570 0.488 1.206 1.00 0.00 C ATOM 922 CG GLU A 57 7.736 1.205 2.253 1.00 0.00 C ATOM 923 CD GLU A 57 6.281 0.778 2.236 1.00 0.00 C ATOM 924 OE1 GLU A 57 5.613 0.991 1.202 1.00 0.00 O ATOM 925 OE2 GLU A 57 5.810 0.232 3.255 1.00 0.00 O ATOM 0 H GLU A 57 9.992 1.703 2.920 1.00 0.00 H new ATOM 0 HA GLU A 57 10.524 0.507 0.327 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.986 0.393 0.291 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.784 -0.523 1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.155 1.012 3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.797 2.280 2.086 1.00 0.00 H new ATOM 932 N ILE A 58 9.323 3.533 0.651 1.00 0.00 N ATOM 933 CA ILE A 58 9.093 4.766 -0.094 1.00 0.00 C ATOM 934 C ILE A 58 10.425 5.450 -0.378 1.00 0.00 C ATOM 935 O ILE A 58 10.529 6.277 -1.281 1.00 0.00 O ATOM 936 CB ILE A 58 8.139 5.773 0.608 1.00 0.00 C ATOM 937 CG1 ILE A 58 7.660 5.268 1.978 1.00 0.00 C ATOM 938 CG2 ILE A 58 6.946 6.073 -0.294 1.00 0.00 C ATOM 939 CD1 ILE A 58 6.416 4.407 1.918 1.00 0.00 C ATOM 0 H ILE A 58 9.224 3.617 1.663 1.00 0.00 H new ATOM 0 HA ILE A 58 8.596 4.467 -1.017 1.00 0.00 H new ATOM 0 HB ILE A 58 8.703 6.689 0.786 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.463 4.696 2.444 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.465 6.126 2.622 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.282 6.779 0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.298 6.505 -1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.405 5.150 -0.501 1.00 0.00 H new ATOM 0 HD11 ILE A 58 6.143 4.091 2.925 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.597 4.980 1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.611 3.529 1.303 1.00 0.00 H new ATOM 951 N LYS A 59 11.449 5.082 0.390 1.00 0.00 N ATOM 952 CA LYS A 59 12.778 5.641 0.205 1.00 0.00 C ATOM 953 C LYS A 59 13.473 4.950 -0.961 1.00 0.00 C ATOM 954 O LYS A 59 14.245 5.570 -1.693 1.00 0.00 O ATOM 955 CB LYS A 59 13.609 5.489 1.482 1.00 0.00 C ATOM 956 CG LYS A 59 15.039 5.990 1.347 1.00 0.00 C ATOM 957 CD LYS A 59 15.956 5.348 2.376 1.00 0.00 C ATOM 958 CE LYS A 59 16.264 6.300 3.520 1.00 0.00 C ATOM 959 NZ LYS A 59 15.031 6.724 4.239 1.00 0.00 N ATOM 0 H LYS A 59 11.379 4.399 1.145 1.00 0.00 H new ATOM 0 HA LYS A 59 12.682 6.704 -0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.119 6.032 2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.628 4.438 1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.408 5.773 0.344 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.059 7.073 1.467 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.488 4.445 2.769 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.885 5.042 1.896 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.944 5.817 4.221 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.778 7.179 3.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.293 7.261 5.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.454 7.324 3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.483 5.884 4.514 1.00 0.00 H new ATOM 973 N ASN A 60 13.182 3.662 -1.140 1.00 0.00 N ATOM 974 CA ASN A 60 13.770 2.898 -2.228 1.00 0.00 C ATOM 975 C ASN A 60 13.121 3.268 -3.561 1.00 0.00 C ATOM 976 O ASN A 60 13.582 2.852 -4.624 1.00 0.00 O ATOM 977 CB ASN A 60 13.618 1.397 -1.971 1.00 0.00 C ATOM 978 CG ASN A 60 14.853 0.614 -2.374 1.00 0.00 C ATOM 979 OD1 ASN A 60 15.951 1.164 -2.456 1.00 0.00 O ATOM 980 ND2 ASN A 60 14.678 -0.677 -2.628 1.00 0.00 N ATOM 0 H ASN A 60 12.545 3.132 -0.546 1.00 0.00 H new ATOM 0 HA ASN A 60 14.831 3.142 -2.278 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.415 1.231 -0.913 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.757 1.022 -2.524 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.472 -1.255 -2.904 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.749 -1.091 -2.547 1.00 0.00 H new ATOM 987 N HIS A 61 12.045 4.052 -3.496 1.00 0.00 N ATOM 988 CA HIS A 61 11.333 4.477 -4.686 1.00 0.00 C ATOM 989 C HIS A 61 11.333 5.999 -4.811 1.00 0.00 C ATOM 990 O HIS A 61 11.796 6.548 -5.811 1.00 0.00 O ATOM 991 CB HIS A 61 9.896 3.952 -4.656 1.00 0.00 C ATOM 992 CG HIS A 61 9.216 3.993 -5.989 1.00 0.00 C ATOM 993 ND1 HIS A 61 8.196 3.134 -6.340 1.00 0.00 N ATOM 994 CD2 HIS A 61 9.414 4.797 -7.060 1.00 0.00 C ATOM 995 CE1 HIS A 61 7.797 3.407 -7.570 1.00 0.00 C ATOM 996 NE2 HIS A 61 8.519 4.412 -8.028 1.00 0.00 N ATOM 0 H HIS A 61 11.651 4.404 -2.623 1.00 0.00 H new ATOM 0 HA HIS A 61 11.846 4.064 -5.554 1.00 0.00 H new ATOM 0 HB2 HIS A 61 9.901 2.925 -4.291 1.00 0.00 H new ATOM 0 HB3 HIS A 61 9.318 4.541 -3.944 1.00 0.00 H new ATOM 0 HD2 HIS A 61 10.140 5.593 -7.139 1.00 0.00 H new ATOM 0 HE1 HIS A 61 7.013 2.895 -8.109 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.427 4.835 -8.952 1.00 0.00 H new ATOM 1005 N ALA A 62 10.809 6.676 -3.792 1.00 0.00 N ATOM 1006 CA ALA A 62 10.749 8.134 -3.792 1.00 0.00 C ATOM 1007 C ALA A 62 10.161 8.668 -2.487 1.00 0.00 C ATOM 1008 O ALA A 62 9.023 8.360 -2.136 1.00 0.00 O ATOM 1009 CB ALA A 62 9.931 8.627 -4.976 1.00 0.00 C ATOM 0 H ALA A 62 10.420 6.238 -2.957 1.00 0.00 H new ATOM 0 HA ALA A 62 11.768 8.510 -3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.894 9.716 -4.964 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.394 8.290 -5.904 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.918 8.229 -4.910 1.00 0.00 H new ATOM 1015 N LYS A 63 10.944 9.477 -1.778 1.00 0.00 N ATOM 1016 CA LYS A 63 10.503 10.067 -0.516 1.00 0.00 C ATOM 1017 C LYS A 63 9.892 11.445 -0.759 1.00 0.00 C ATOM 1018 O LYS A 63 10.144 12.391 -0.013 1.00 0.00 O ATOM 1019 CB LYS A 63 11.681 10.183 0.455 1.00 0.00 C ATOM 1020 CG LYS A 63 11.889 8.942 1.309 1.00 0.00 C ATOM 1021 CD LYS A 63 11.510 9.194 2.760 1.00 0.00 C ATOM 1022 CE LYS A 63 11.103 7.908 3.461 1.00 0.00 C ATOM 1023 NZ LYS A 63 10.087 7.147 2.683 1.00 0.00 N ATOM 0 H LYS A 63 11.889 9.740 -2.056 1.00 0.00 H new ATOM 0 HA LYS A 63 9.745 9.418 -0.077 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.591 10.381 -0.112 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.520 11.041 1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.290 8.122 0.913 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.932 8.631 1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.353 9.644 3.284 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.689 9.909 2.804 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.984 7.284 3.615 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.703 8.143 4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.664 6.414 3.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.344 7.796 2.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.542 6.698 1.863 1.00 0.00 H new ATOM 1092 N ARG A 68 9.049 15.364 2.834 1.00 0.00 N ATOM 1093 CA ARG A 68 7.733 14.768 3.030 1.00 0.00 C ATOM 1094 C ARG A 68 7.867 13.305 3.444 1.00 0.00 C ATOM 1095 O ARG A 68 7.320 12.411 2.798 1.00 0.00 O ATOM 1096 CB ARG A 68 6.901 14.886 1.750 1.00 0.00 C ATOM 1097 CG ARG A 68 5.913 16.042 1.773 1.00 0.00 C ATOM 1098 CD ARG A 68 4.494 15.558 2.027 1.00 0.00 C ATOM 1099 NE ARG A 68 3.557 16.668 2.181 1.00 0.00 N ATOM 1100 CZ ARG A 68 3.074 17.377 1.163 1.00 0.00 C ATOM 1101 NH1 ARG A 68 3.435 17.094 -0.082 1.00 0.00 N ATOM 1102 NH2 ARG A 68 2.227 18.371 1.391 1.00 0.00 N ATOM 0 HA ARG A 68 7.223 15.307 3.828 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.572 15.009 0.900 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.356 13.955 1.594 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.200 16.752 2.548 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.952 16.574 0.823 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.173 14.925 1.200 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.477 14.941 2.926 1.00 0.00 H new ATOM 0 HE ARG A 68 3.255 16.914 3.124 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.086 16.330 -0.263 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.062 17.641 -0.858 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.946 18.592 2.346 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.857 18.914 0.611 1.00 0.00 H new ATOM 1116 N ASN A 69 8.611 13.072 4.525 1.00 0.00 N ATOM 1117 CA ASN A 69 8.841 11.722 5.038 1.00 0.00 C ATOM 1118 C ASN A 69 7.579 10.864 4.958 1.00 0.00 C ATOM 1119 O ASN A 69 6.463 11.382 4.916 1.00 0.00 O ATOM 1120 CB ASN A 69 9.335 11.783 6.484 1.00 0.00 C ATOM 1121 CG ASN A 69 8.421 12.605 7.373 1.00 0.00 C ATOM 1122 OD1 ASN A 69 7.250 12.273 7.554 1.00 0.00 O ATOM 1123 ND2 ASN A 69 8.955 13.684 7.933 1.00 0.00 N ATOM 0 H ASN A 69 9.068 13.807 5.066 1.00 0.00 H new ATOM 0 HA ASN A 69 9.603 11.258 4.412 1.00 0.00 H new ATOM 0 HB2 ASN A 69 9.411 10.771 6.882 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.338 12.210 6.505 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.389 14.276 8.541 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.931 13.921 7.755 1.00 0.00 H new ATOM 1130 N VAL A 70 7.773 9.550 4.929 1.00 0.00 N ATOM 1131 CA VAL A 70 6.664 8.605 4.846 1.00 0.00 C ATOM 1132 C VAL A 70 5.609 8.879 5.911 1.00 0.00 C ATOM 1133 O VAL A 70 4.426 8.603 5.714 1.00 0.00 O ATOM 1134 CB VAL A 70 7.165 7.156 4.988 1.00 0.00 C ATOM 1135 CG1 VAL A 70 7.903 6.979 6.302 1.00 0.00 C ATOM 1136 CG2 VAL A 70 6.014 6.165 4.873 1.00 0.00 C ATOM 0 H VAL A 70 8.694 9.113 4.962 1.00 0.00 H new ATOM 0 HA VAL A 70 6.209 8.737 3.864 1.00 0.00 H new ATOM 0 HB VAL A 70 7.859 6.953 4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.251 5.950 6.388 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.758 7.655 6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.231 7.205 7.130 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.396 5.150 4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.285 6.361 5.660 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.535 6.275 3.900 1.00 0.00 H new ATOM 1146 N ASP A 71 6.045 9.424 7.037 1.00 0.00 N ATOM 1147 CA ASP A 71 5.135 9.736 8.134 1.00 0.00 C ATOM 1148 C ASP A 71 4.060 10.705 7.680 1.00 0.00 C ATOM 1149 O ASP A 71 2.878 10.363 7.622 1.00 0.00 O ATOM 1150 CB ASP A 71 5.907 10.316 9.322 1.00 0.00 C ATOM 1151 CG ASP A 71 6.036 9.328 10.465 1.00 0.00 C ATOM 1152 OD1 ASP A 71 4.993 8.860 10.966 1.00 0.00 O ATOM 1153 OD2 ASP A 71 7.182 9.021 10.857 1.00 0.00 O ATOM 0 H ASP A 71 7.021 9.660 7.217 1.00 0.00 H new ATOM 0 HA ASP A 71 4.653 8.811 8.451 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.901 10.619 8.993 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.401 11.214 9.677 1.00 0.00 H new ATOM 1158 N VAL A 72 4.481 11.909 7.345 1.00 0.00 N ATOM 1159 CA VAL A 72 3.561 12.935 6.876 1.00 0.00 C ATOM 1160 C VAL A 72 2.807 12.454 5.642 1.00 0.00 C ATOM 1161 O VAL A 72 1.723 12.946 5.331 1.00 0.00 O ATOM 1162 CB VAL A 72 4.295 14.247 6.543 1.00 0.00 C ATOM 1163 CG1 VAL A 72 3.299 15.354 6.234 1.00 0.00 C ATOM 1164 CG2 VAL A 72 5.213 14.650 7.688 1.00 0.00 C ATOM 0 H VAL A 72 5.456 12.204 7.388 1.00 0.00 H new ATOM 0 HA VAL A 72 2.856 13.128 7.684 1.00 0.00 H new ATOM 0 HB VAL A 72 4.907 14.084 5.656 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.837 16.273 6.001 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.687 15.065 5.379 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.658 15.519 7.100 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.724 15.579 7.435 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.624 14.794 8.593 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.950 13.865 7.857 1.00 0.00 H new ATOM 1174 N HIS A 73 3.387 11.477 4.952 1.00 0.00 N ATOM 1175 CA HIS A 73 2.769 10.914 3.762 1.00 0.00 C ATOM 1176 C HIS A 73 1.582 10.045 4.144 1.00 0.00 C ATOM 1177 O HIS A 73 0.595 9.966 3.414 1.00 0.00 O ATOM 1178 CB HIS A 73 3.786 10.092 2.966 1.00 0.00 C ATOM 1179 CG HIS A 73 4.289 10.786 1.737 1.00 0.00 C ATOM 1180 ND1 HIS A 73 4.261 12.156 1.580 1.00 0.00 N ATOM 1181 CD2 HIS A 73 4.833 10.290 0.601 1.00 0.00 C ATOM 1182 CE1 HIS A 73 4.764 12.472 0.400 1.00 0.00 C ATOM 1183 NE2 HIS A 73 5.119 11.358 -0.213 1.00 0.00 N ATOM 0 H HIS A 73 4.285 11.060 5.199 1.00 0.00 H new ATOM 0 HA HIS A 73 2.418 11.735 3.137 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.632 9.854 3.611 1.00 0.00 H new ATOM 0 HB3 HIS A 73 3.329 9.145 2.677 1.00 0.00 H new ATOM 0 HD2 HIS A 73 5.009 9.248 0.377 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.867 13.472 0.004 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.538 11.300 -1.141 1.00 0.00 H new ATOM 1192 N ILE A 74 1.687 9.397 5.297 1.00 0.00 N ATOM 1193 CA ILE A 74 0.620 8.531 5.782 1.00 0.00 C ATOM 1194 C ILE A 74 -0.635 9.335 6.084 1.00 0.00 C ATOM 1195 O ILE A 74 -1.751 8.891 5.813 1.00 0.00 O ATOM 1196 CB ILE A 74 1.050 7.745 7.039 1.00 0.00 C ATOM 1197 CG1 ILE A 74 2.248 6.849 6.719 1.00 0.00 C ATOM 1198 CG2 ILE A 74 -0.107 6.913 7.576 1.00 0.00 C ATOM 1199 CD1 ILE A 74 3.302 6.836 7.804 1.00 0.00 C ATOM 0 H ILE A 74 2.498 9.454 5.913 1.00 0.00 H new ATOM 0 HA ILE A 74 0.404 7.815 4.989 1.00 0.00 H new ATOM 0 HB ILE A 74 1.343 8.459 7.808 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.896 5.831 6.554 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.703 7.184 5.787 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.218 6.367 8.462 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.936 7.570 7.838 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.432 6.206 6.813 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.121 6.180 7.508 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.683 7.846 7.954 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.863 6.472 8.733 1.00 0.00 H new ATOM 1211 N ALA A 75 -0.444 10.520 6.636 1.00 0.00 N ATOM 1212 CA ALA A 75 -1.560 11.392 6.963 1.00 0.00 C ATOM 1213 C ALA A 75 -2.137 12.013 5.703 1.00 0.00 C ATOM 1214 O ALA A 75 -3.328 12.314 5.632 1.00 0.00 O ATOM 1215 CB ALA A 75 -1.130 12.469 7.948 1.00 0.00 C ATOM 0 H ALA A 75 0.473 10.901 6.868 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.338 10.792 7.436 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.980 13.111 8.179 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.769 12.001 8.864 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.333 13.068 7.507 1.00 0.00 H new ATOM 1221 N SER A 76 -1.286 12.182 4.702 1.00 0.00 N ATOM 1222 CA SER A 76 -1.715 12.744 3.432 1.00 0.00 C ATOM 1223 C SER A 76 -2.569 11.735 2.677 1.00 0.00 C ATOM 1224 O SER A 76 -3.391 12.105 1.838 1.00 0.00 O ATOM 1225 CB SER A 76 -0.507 13.158 2.590 1.00 0.00 C ATOM 1226 OG SER A 76 -0.274 14.553 2.684 1.00 0.00 O ATOM 0 H SER A 76 -0.296 11.938 4.745 1.00 0.00 H new ATOM 0 HA SER A 76 -2.313 13.633 3.629 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.377 12.615 2.925 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.674 12.883 1.549 1.00 0.00 H new ATOM 0 HG SER A 76 0.589 14.769 2.273 1.00 0.00 H new ATOM 1232 N LEU A 77 -2.381 10.455 2.992 1.00 0.00 N ATOM 1233 CA LEU A 77 -3.147 9.397 2.353 1.00 0.00 C ATOM 1234 C LEU A 77 -4.617 9.529 2.705 1.00 0.00 C ATOM 1235 O LEU A 77 -5.494 9.289 1.878 1.00 0.00 O ATOM 1236 CB LEU A 77 -2.636 8.022 2.785 1.00 0.00 C ATOM 1237 CG LEU A 77 -1.656 7.361 1.815 1.00 0.00 C ATOM 1238 CD1 LEU A 77 -0.236 7.454 2.350 1.00 0.00 C ATOM 1239 CD2 LEU A 77 -2.044 5.910 1.569 1.00 0.00 C ATOM 0 H LEU A 77 -1.706 10.130 3.684 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.025 9.493 1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.151 8.120 3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.491 7.360 2.921 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.700 7.891 0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.449 6.979 1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.039 8.502 2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.176 6.948 3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.335 5.456 0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.029 5.364 2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.046 5.869 1.142 1.00 0.00 H new ATOM 1251 N ARG A 78 -4.874 9.914 3.943 1.00 0.00 N ATOM 1252 CA ARG A 78 -6.240 10.080 4.415 1.00 0.00 C ATOM 1253 C ARG A 78 -6.973 11.143 3.604 1.00 0.00 C ATOM 1254 O ARG A 78 -8.203 11.164 3.558 1.00 0.00 O ATOM 1255 CB ARG A 78 -6.248 10.448 5.901 1.00 0.00 C ATOM 1256 CG ARG A 78 -7.077 9.504 6.757 1.00 0.00 C ATOM 1257 CD ARG A 78 -6.520 9.397 8.167 1.00 0.00 C ATOM 1258 NE ARG A 78 -7.483 8.805 9.093 1.00 0.00 N ATOM 1259 CZ ARG A 78 -8.493 9.476 9.642 1.00 0.00 C ATOM 1260 NH1 ARG A 78 -8.678 10.760 9.359 1.00 0.00 N ATOM 1261 NH2 ARG A 78 -9.323 8.862 10.473 1.00 0.00 N ATOM 0 H ARG A 78 -4.157 10.118 4.639 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.762 9.132 4.283 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.223 10.455 6.271 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.634 11.461 6.014 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.107 9.858 6.797 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.097 8.516 6.297 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.612 8.794 8.153 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.238 10.388 8.522 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.375 7.820 9.333 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.044 11.237 8.718 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.454 11.269 9.783 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.188 7.875 10.692 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.097 9.376 10.894 1.00 0.00 H new ATOM 1275 N LYS A 79 -6.211 12.028 2.971 1.00 0.00 N ATOM 1276 CA LYS A 79 -6.794 13.095 2.168 1.00 0.00 C ATOM 1277 C LYS A 79 -6.980 12.676 0.720 1.00 0.00 C ATOM 1278 O LYS A 79 -8.070 12.793 0.160 1.00 0.00 O ATOM 1279 CB LYS A 79 -5.927 14.355 2.244 1.00 0.00 C ATOM 1280 CG LYS A 79 -6.432 15.380 3.246 1.00 0.00 C ATOM 1281 CD LYS A 79 -5.375 16.430 3.547 1.00 0.00 C ATOM 1282 CE LYS A 79 -5.961 17.607 4.310 1.00 0.00 C ATOM 1283 NZ LYS A 79 -5.157 18.846 4.121 1.00 0.00 N ATOM 0 H LYS A 79 -5.191 12.027 2.998 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.780 13.311 2.580 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.909 14.070 2.510 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.882 14.815 1.257 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.326 15.864 2.854 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.720 14.877 4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.570 15.981 4.130 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.935 16.782 2.614 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.984 17.783 3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.009 17.364 5.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.589 19.625 4.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.188 18.686 4.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.132 19.093 3.111 1.00 0.00 H new ATOM 1297 N LYS A 80 -5.907 12.202 0.118 1.00 0.00 N ATOM 1298 CA LYS A 80 -5.937 11.777 -1.272 1.00 0.00 C ATOM 1299 C LYS A 80 -6.537 10.387 -1.412 1.00 0.00 C ATOM 1300 O LYS A 80 -7.452 10.166 -2.205 1.00 0.00 O ATOM 1301 CB LYS A 80 -4.531 11.818 -1.870 1.00 0.00 C ATOM 1302 CG LYS A 80 -4.139 13.192 -2.393 1.00 0.00 C ATOM 1303 CD LYS A 80 -3.563 14.067 -1.290 1.00 0.00 C ATOM 1304 CE LYS A 80 -4.134 15.475 -1.341 1.00 0.00 C ATOM 1305 NZ LYS A 80 -3.699 16.294 -0.177 1.00 0.00 N ATOM 0 H LYS A 80 -4.998 12.100 0.570 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.573 12.470 -1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.812 11.507 -1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.469 11.096 -2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.405 13.082 -3.192 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.012 13.680 -2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.779 13.620 -0.319 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.478 14.109 -1.387 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.819 15.961 -2.264 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.223 15.424 -1.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.110 17.247 -0.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.021 15.844 0.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.661 16.364 -0.170 1.00 0.00 H new ATOM 1319 N LEU A 81 -6.019 9.459 -0.630 1.00 0.00 N ATOM 1320 CA LEU A 81 -6.501 8.081 -0.651 1.00 0.00 C ATOM 1321 C LEU A 81 -7.919 7.997 -0.094 1.00 0.00 C ATOM 1322 O LEU A 81 -8.855 7.630 -0.803 1.00 0.00 O ATOM 1323 CB LEU A 81 -5.570 7.172 0.161 1.00 0.00 C ATOM 1324 CG LEU A 81 -5.525 5.697 -0.271 1.00 0.00 C ATOM 1325 CD1 LEU A 81 -6.771 5.307 -1.056 1.00 0.00 C ATOM 1326 CD2 LEU A 81 -4.274 5.421 -1.090 1.00 0.00 C ATOM 0 H LEU A 81 -5.262 9.630 0.032 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.510 7.743 -1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.560 7.577 0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.874 7.215 1.207 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.496 5.087 0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.705 4.258 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.654 5.458 -0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.846 5.926 -1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.258 4.373 -1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.275 6.051 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.391 5.642 -0.491 1.00 0.00 H new ATOM 1338 N GLY A 82 -8.068 8.339 1.183 1.00 0.00 N ATOM 1339 CA GLY A 82 -9.373 8.295 1.818 1.00 0.00 C ATOM 1340 C GLY A 82 -9.424 7.306 2.966 1.00 0.00 C ATOM 1341 O GLY A 82 -8.451 7.150 3.703 1.00 0.00 O ATOM 0 H GLY A 82 -7.307 8.646 1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.629 9.289 2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.126 8.026 1.077 1.00 0.00 H new ATOM 1345 N ALA A 83 -10.561 6.634 3.117 1.00 0.00 N ATOM 1346 CA ALA A 83 -10.733 5.652 4.182 1.00 0.00 C ATOM 1347 C ALA A 83 -9.838 4.433 3.966 1.00 0.00 C ATOM 1348 O ALA A 83 -9.656 3.619 4.871 1.00 0.00 O ATOM 1349 CB ALA A 83 -12.190 5.227 4.275 1.00 0.00 C ATOM 0 H ALA A 83 -11.377 6.751 2.516 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.438 6.121 5.121 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -12.305 4.494 5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.810 6.097 4.490 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.501 4.784 3.329 1.00 0.00 H new ATOM 1355 N TYR A 84 -9.280 4.312 2.764 1.00 0.00 N ATOM 1356 CA TYR A 84 -8.405 3.195 2.434 1.00 0.00 C ATOM 1357 C TYR A 84 -6.980 3.484 2.890 1.00 0.00 C ATOM 1358 O TYR A 84 -6.306 2.614 3.439 1.00 0.00 O ATOM 1359 CB TYR A 84 -8.433 2.922 0.928 1.00 0.00 C ATOM 1360 CG TYR A 84 -9.792 3.136 0.297 1.00 0.00 C ATOM 1361 CD1 TYR A 84 -10.934 2.573 0.856 1.00 0.00 C ATOM 1362 CD2 TYR A 84 -9.935 3.902 -0.853 1.00 0.00 C ATOM 1363 CE1 TYR A 84 -12.178 2.768 0.286 1.00 0.00 C ATOM 1364 CE2 TYR A 84 -11.175 4.103 -1.428 1.00 0.00 C ATOM 1365 CZ TYR A 84 -12.293 3.534 -0.855 1.00 0.00 C ATOM 1366 OH TYR A 84 -13.529 3.731 -1.426 1.00 0.00 O ATOM 0 H TYR A 84 -9.420 4.976 2.003 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.765 2.308 2.956 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -7.708 3.570 0.436 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.116 1.895 0.748 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -10.848 1.974 1.750 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -9.062 4.348 -1.305 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -13.055 2.323 0.732 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -11.268 4.703 -2.321 1.00 0.00 H new ATOM 0 HH TYR A 84 -13.435 4.294 -2.223 1.00 0.00 H new ATOM 1376 N GLY A 85 -6.532 4.719 2.673 1.00 0.00 N ATOM 1377 CA GLY A 85 -5.195 5.102 3.084 1.00 0.00 C ATOM 1378 C GLY A 85 -4.980 4.877 4.564 1.00 0.00 C ATOM 1379 O GLY A 85 -3.874 4.557 5.000 1.00 0.00 O ATOM 0 H GLY A 85 -7.071 5.458 2.221 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.462 4.528 2.518 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.028 6.153 2.847 1.00 0.00 H new ATOM 1383 N SER A 86 -6.051 5.029 5.336 1.00 0.00 N ATOM 1384 CA SER A 86 -5.990 4.826 6.775 1.00 0.00 C ATOM 1385 C SER A 86 -5.733 3.356 7.099 1.00 0.00 C ATOM 1386 O SER A 86 -5.402 3.011 8.233 1.00 0.00 O ATOM 1387 CB SER A 86 -7.291 5.287 7.435 1.00 0.00 C ATOM 1388 OG SER A 86 -7.286 5.009 8.825 1.00 0.00 O ATOM 0 H SER A 86 -6.972 5.293 4.986 1.00 0.00 H new ATOM 0 HA SER A 86 -5.165 5.420 7.169 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.424 6.357 7.276 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.138 4.787 6.964 1.00 0.00 H new ATOM 0 HG SER A 86 -6.641 4.295 9.014 1.00 0.00 H new ATOM 1394 N ARG A 87 -5.881 2.492 6.091 1.00 0.00 N ATOM 1395 CA ARG A 87 -5.657 1.059 6.265 1.00 0.00 C ATOM 1396 C ARG A 87 -4.366 0.805 7.039 1.00 0.00 C ATOM 1397 O ARG A 87 -4.256 -0.169 7.783 1.00 0.00 O ATOM 1398 CB ARG A 87 -5.595 0.368 4.896 1.00 0.00 C ATOM 1399 CG ARG A 87 -4.975 -1.022 4.927 1.00 0.00 C ATOM 1400 CD ARG A 87 -4.929 -1.648 3.541 1.00 0.00 C ATOM 1401 NE ARG A 87 -6.246 -1.679 2.905 1.00 0.00 N ATOM 1402 CZ ARG A 87 -6.741 -0.688 2.165 1.00 0.00 C ATOM 1403 NH1 ARG A 87 -6.033 0.415 1.956 1.00 0.00 N ATOM 1404 NH2 ARG A 87 -7.948 -0.803 1.628 1.00 0.00 N ATOM 0 H ARG A 87 -6.155 2.763 5.147 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.488 0.646 6.837 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.605 0.294 4.492 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.023 0.994 4.211 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.965 -0.961 5.333 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.550 -1.662 5.597 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.237 -1.086 2.913 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.539 -2.663 3.615 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.821 -2.511 3.036 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.103 0.509 2.363 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.419 1.169 1.388 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.496 -1.649 1.782 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.328 -0.045 1.061 1.00 0.00 H new ATOM 1418 N ILE A 88 -3.395 1.692 6.855 1.00 0.00 N ATOM 1419 CA ILE A 88 -2.110 1.570 7.534 1.00 0.00 C ATOM 1420 C ILE A 88 -2.254 1.813 9.033 1.00 0.00 C ATOM 1421 O ILE A 88 -2.434 2.949 9.472 1.00 0.00 O ATOM 1422 CB ILE A 88 -1.077 2.561 6.963 1.00 0.00 C ATOM 1423 CG1 ILE A 88 -1.031 2.465 5.436 1.00 0.00 C ATOM 1424 CG2 ILE A 88 0.299 2.293 7.556 1.00 0.00 C ATOM 1425 CD1 ILE A 88 -0.758 3.789 4.756 1.00 0.00 C ATOM 0 H ILE A 88 -3.473 2.503 6.242 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.759 0.552 7.365 1.00 0.00 H new ATOM 0 HB ILE A 88 -1.379 3.572 7.235 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.259 1.752 5.148 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.981 2.070 5.076 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.017 3.001 7.143 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.257 2.409 8.639 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.609 1.277 7.311 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.739 3.646 3.676 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.543 4.500 5.015 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.205 4.176 5.087 1.00 0.00 H new ATOM 1437 N VAL A 89 -2.172 0.740 9.815 1.00 0.00 N ATOM 1438 CA VAL A 89 -2.291 0.844 11.264 1.00 0.00 C ATOM 1439 C VAL A 89 -0.935 0.664 11.937 1.00 0.00 C ATOM 1440 O VAL A 89 -0.098 -0.110 11.471 1.00 0.00 O ATOM 1441 CB VAL A 89 -3.273 -0.202 11.827 1.00 0.00 C ATOM 1442 CG1 VAL A 89 -3.590 0.092 13.285 1.00 0.00 C ATOM 1443 CG2 VAL A 89 -4.547 -0.242 10.996 1.00 0.00 C ATOM 0 H VAL A 89 -2.024 -0.208 9.470 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.675 1.841 11.479 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.799 -1.182 11.772 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.285 -0.657 13.665 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.671 0.064 13.870 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.042 1.080 13.367 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.228 -0.986 11.409 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.025 0.737 11.016 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.302 -0.506 9.967 1.00 0.00 H new ATOM 1453 N THR A 90 -0.722 1.383 13.033 1.00 0.00 N ATOM 1454 CA THR A 90 0.534 1.302 13.768 1.00 0.00 C ATOM 1455 C THR A 90 0.285 0.980 15.237 1.00 0.00 C ATOM 1456 O THR A 90 -0.490 1.660 15.909 1.00 0.00 O ATOM 1457 CB THR A 90 1.308 2.615 13.646 1.00 0.00 C ATOM 1458 OG1 THR A 90 1.488 2.966 12.285 1.00 0.00 O ATOM 1459 CG2 THR A 90 2.675 2.567 14.293 1.00 0.00 C ATOM 0 H THR A 90 -1.403 2.029 13.432 1.00 0.00 H new ATOM 0 HA THR A 90 1.128 0.498 13.334 1.00 0.00 H new ATOM 0 HB THR A 90 0.703 3.356 14.169 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.000 2.264 11.831 1.00 0.00 H new ATOM 0 HG21 THR A 90 3.170 3.530 14.170 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.567 2.348 15.355 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.274 1.788 13.821 1.00 0.00 H new ATOM 1467 N LEU A 91 0.948 -0.061 15.729 1.00 0.00 N ATOM 1468 CA LEU A 91 0.798 -0.473 17.119 1.00 0.00 C ATOM 1469 C LEU A 91 2.098 -0.264 17.891 1.00 0.00 C ATOM 1470 O LEU A 91 3.180 -0.228 17.306 1.00 0.00 O ATOM 1471 CB LEU A 91 0.374 -1.941 17.193 1.00 0.00 C ATOM 1472 CG LEU A 91 -1.130 -2.171 17.369 1.00 0.00 C ATOM 1473 CD1 LEU A 91 -1.756 -2.643 16.066 1.00 0.00 C ATOM 1474 CD2 LEU A 91 -1.391 -3.175 18.483 1.00 0.00 C ATOM 0 H LEU A 91 1.594 -0.634 15.186 1.00 0.00 H new ATOM 0 HA LEU A 91 0.024 0.144 17.575 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.699 -2.444 16.282 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.898 -2.414 18.023 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.591 -1.223 17.646 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.825 -2.801 16.212 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.603 -1.889 15.294 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.290 -3.579 15.756 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.465 -3.325 18.593 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.915 -4.124 18.236 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.980 -2.795 19.419 1.00 0.00 H new ATOM 1486 N ARG A 92 1.981 -0.125 19.207 1.00 0.00 N ATOM 1487 CA ARG A 92 3.145 0.082 20.060 1.00 0.00 C ATOM 1488 C ARG A 92 3.557 -1.220 20.743 1.00 0.00 C ATOM 1489 O ARG A 92 3.370 -1.388 21.948 1.00 0.00 O ATOM 1490 CB ARG A 92 2.847 1.158 21.107 1.00 0.00 C ATOM 1491 CG ARG A 92 3.998 2.125 21.330 1.00 0.00 C ATOM 1492 CD ARG A 92 3.495 3.520 21.665 1.00 0.00 C ATOM 1493 NE ARG A 92 4.297 4.561 21.026 1.00 0.00 N ATOM 1494 CZ ARG A 92 5.473 4.978 21.487 1.00 0.00 C ATOM 1495 NH1 ARG A 92 5.989 4.447 22.588 1.00 0.00 N ATOM 1496 NH2 ARG A 92 6.137 5.929 20.844 1.00 0.00 N ATOM 0 H ARG A 92 1.092 -0.152 19.706 1.00 0.00 H new ATOM 0 HA ARG A 92 3.973 0.416 19.435 1.00 0.00 H new ATOM 0 HB2 ARG A 92 1.966 1.720 20.798 1.00 0.00 H new ATOM 0 HB3 ARG A 92 2.601 0.675 22.053 1.00 0.00 H new ATOM 0 HG2 ARG A 92 4.630 1.760 22.140 1.00 0.00 H new ATOM 0 HG3 ARG A 92 4.619 2.166 20.435 1.00 0.00 H new ATOM 0 HD2 ARG A 92 2.457 3.617 21.348 1.00 0.00 H new ATOM 0 HD3 ARG A 92 3.512 3.662 22.746 1.00 0.00 H new ATOM 0 HE ARG A 92 3.934 4.993 20.177 1.00 0.00 H new ATOM 0 HH11 ARG A 92 5.483 3.714 23.086 1.00 0.00 H new ATOM 0 HH12 ARG A 92 6.891 4.771 22.936 1.00 0.00 H new ATOM 0 HH21 ARG A 92 5.746 6.340 19.996 1.00 0.00 H new ATOM 0 HH22 ARG A 92 7.039 6.249 21.197 1.00 0.00 H new ATOM 1510 N GLY A 93 4.119 -2.138 19.964 1.00 0.00 N ATOM 1511 CA GLY A 93 4.548 -3.412 20.511 1.00 0.00 C ATOM 1512 C GLY A 93 4.702 -4.481 19.447 1.00 0.00 C ATOM 1513 O GLY A 93 5.489 -5.414 19.605 1.00 0.00 O ATOM 0 H GLY A 93 4.285 -2.023 18.964 1.00 0.00 H new ATOM 0 HA2 GLY A 93 5.498 -3.280 21.028 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.824 -3.746 21.255 1.00 0.00 H new ATOM 1517 N VAL A 94 3.950 -4.346 18.360 1.00 0.00 N ATOM 1518 CA VAL A 94 4.007 -5.309 17.268 1.00 0.00 C ATOM 1519 C VAL A 94 4.546 -4.665 15.993 1.00 0.00 C ATOM 1520 O VAL A 94 5.268 -5.299 15.224 1.00 0.00 O ATOM 1521 CB VAL A 94 2.620 -5.920 16.986 1.00 0.00 C ATOM 1522 CG1 VAL A 94 1.631 -4.841 16.574 1.00 0.00 C ATOM 1523 CG2 VAL A 94 2.715 -7.003 15.921 1.00 0.00 C ATOM 0 H VAL A 94 3.294 -3.579 18.212 1.00 0.00 H new ATOM 0 HA VAL A 94 4.685 -6.104 17.579 1.00 0.00 H new ATOM 0 HB VAL A 94 2.256 -6.380 17.905 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.659 -5.294 16.380 1.00 0.00 H new ATOM 0 HG12 VAL A 94 1.537 -4.109 17.376 1.00 0.00 H new ATOM 0 HG13 VAL A 94 1.988 -4.346 15.671 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.725 -7.421 15.738 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.104 -6.573 14.998 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.384 -7.792 16.263 1.00 0.00 H new ATOM 1533 N GLY A 95 4.193 -3.401 15.777 1.00 0.00 N ATOM 1534 CA GLY A 95 4.655 -2.694 14.596 1.00 0.00 C ATOM 1535 C GLY A 95 3.524 -2.308 13.663 1.00 0.00 C ATOM 1536 O GLY A 95 2.363 -2.262 14.069 1.00 0.00 O ATOM 0 H GLY A 95 3.596 -2.855 16.398 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.190 -1.795 14.902 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.366 -3.321 14.058 1.00 0.00 H new ATOM 1540 N TYR A 96 3.866 -2.028 12.410 1.00 0.00 N ATOM 1541 CA TYR A 96 2.873 -1.641 11.415 1.00 0.00 C ATOM 1542 C TYR A 96 1.983 -2.824 11.049 1.00 0.00 C ATOM 1543 O TYR A 96 2.472 -3.914 10.752 1.00 0.00 O ATOM 1544 CB TYR A 96 3.562 -1.097 10.160 1.00 0.00 C ATOM 1545 CG TYR A 96 3.659 0.412 10.128 1.00 0.00 C ATOM 1546 CD1 TYR A 96 2.582 1.188 9.718 1.00 0.00 C ATOM 1547 CD2 TYR A 96 4.828 1.060 10.509 1.00 0.00 C ATOM 1548 CE1 TYR A 96 2.668 2.567 9.686 1.00 0.00 C ATOM 1549 CE2 TYR A 96 4.921 2.438 10.481 1.00 0.00 C ATOM 1550 CZ TYR A 96 3.839 3.187 10.069 1.00 0.00 C ATOM 1551 OH TYR A 96 3.927 4.560 10.039 1.00 0.00 O ATOM 0 H TYR A 96 4.823 -2.062 12.059 1.00 0.00 H new ATOM 0 HA TYR A 96 2.248 -0.858 11.845 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.565 -1.519 10.095 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.016 -1.436 9.280 1.00 0.00 H new ATOM 0 HD1 TYR A 96 1.663 0.706 9.420 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.678 0.477 10.832 1.00 0.00 H new ATOM 0 HE1 TYR A 96 1.823 3.156 9.363 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.837 2.926 10.780 1.00 0.00 H new ATOM 0 HH TYR A 96 4.817 4.837 10.340 1.00 0.00 H new ATOM 1561 N LEU A 97 0.674 -2.600 11.072 1.00 0.00 N ATOM 1562 CA LEU A 97 -0.285 -3.647 10.742 1.00 0.00 C ATOM 1563 C LEU A 97 -1.408 -3.094 9.872 1.00 0.00 C ATOM 1564 O LEU A 97 -2.506 -2.818 10.354 1.00 0.00 O ATOM 1565 CB LEU A 97 -0.862 -4.264 12.022 1.00 0.00 C ATOM 1566 CG LEU A 97 -1.714 -5.524 11.826 1.00 0.00 C ATOM 1567 CD1 LEU A 97 -3.163 -5.153 11.557 1.00 0.00 C ATOM 1568 CD2 LEU A 97 -1.166 -6.385 10.696 1.00 0.00 C ATOM 0 H LEU A 97 0.253 -1.703 11.316 1.00 0.00 H new ATOM 0 HA LEU A 97 0.235 -4.423 10.181 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.036 -4.506 12.691 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.469 -3.511 12.525 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.670 -6.106 12.747 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.752 -6.060 11.421 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.557 -4.588 12.402 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.221 -4.544 10.655 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.789 -7.272 10.579 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.170 -5.813 9.768 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.145 -6.687 10.931 1.00 0.00 H new ATOM 1580 N PHE A 98 -1.122 -2.933 8.585 1.00 0.00 N ATOM 1581 CA PHE A 98 -2.106 -2.411 7.644 1.00 0.00 C ATOM 1582 C PHE A 98 -3.220 -3.427 7.410 1.00 0.00 C ATOM 1583 O PHE A 98 -3.166 -4.222 6.473 1.00 0.00 O ATOM 1584 CB PHE A 98 -1.439 -2.039 6.314 1.00 0.00 C ATOM 1585 CG PHE A 98 -0.498 -3.087 5.785 1.00 0.00 C ATOM 1586 CD1 PHE A 98 0.834 -3.103 6.170 1.00 0.00 C ATOM 1587 CD2 PHE A 98 -0.945 -4.054 4.900 1.00 0.00 C ATOM 1588 CE1 PHE A 98 1.699 -4.065 5.683 1.00 0.00 C ATOM 1589 CE2 PHE A 98 -0.085 -5.017 4.409 1.00 0.00 C ATOM 1590 CZ PHE A 98 1.240 -5.023 4.802 1.00 0.00 C ATOM 0 H PHE A 98 -0.218 -3.156 8.170 1.00 0.00 H new ATOM 0 HA PHE A 98 -2.543 -1.511 8.076 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -2.214 -1.853 5.570 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.891 -1.106 6.443 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.200 -2.355 6.858 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.979 -4.055 4.590 1.00 0.00 H new ATOM 0 HE1 PHE A 98 2.734 -4.067 5.992 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.448 -5.764 3.719 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.914 -5.775 4.421 1.00 0.00 H new ATOM 1600 N SER A 99 -4.228 -3.396 8.277 1.00 0.00 N ATOM 1601 CA SER A 99 -5.356 -4.317 8.174 1.00 0.00 C ATOM 1602 C SER A 99 -6.637 -3.580 7.795 1.00 0.00 C ATOM 1603 O SER A 99 -7.027 -2.612 8.449 1.00 0.00 O ATOM 1604 CB SER A 99 -5.557 -5.058 9.498 1.00 0.00 C ATOM 1605 OG SER A 99 -4.847 -6.285 9.509 1.00 0.00 O ATOM 0 H SER A 99 -4.287 -2.743 9.059 1.00 0.00 H new ATOM 0 HA SER A 99 -5.129 -5.037 7.388 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.220 -4.432 10.324 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.619 -5.247 9.655 1.00 0.00 H new ATOM 0 HG SER A 99 -5.318 -6.931 10.076 1.00 0.00 H new