USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 816 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 30 GLN : amide:sc= -2.49 K(o=-7.1,f=-12!) USER MOD Set 1.2: A 32 ASN : amide:sc= -0.719 K(o=-7.1,f=-9.9!) USER MOD Set 1.3: A 41 GLN : amide:sc= -3.94 K(o=-7.1,f=-15!) USER MOD Single : A 2 SER OG : rot 180:sc= 0.102 USER MOD Single : A 5 THR OG1 : rot -60:sc= 1.24 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.409 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.405) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.25! X(o=-1.2!,f=-0.81) USER MOD Single : A 58 SER OG : rot -68:sc= 0.671 USER MOD Single : A 62 THR OG1 : rot 52:sc= -0.203 USER MOD Single : A 64 THR OG1 : rot -170:sc= -0.745 USER MOD Single : A 70 MET CE :methyl -171:sc= -0.823 (180deg=-1.08) USER MOD Single : A 74 SER OG : rot 120:sc= -0.145 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 53:sc= 0.0628 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.00495) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 78:sc= 1.21 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 3.430 -2.275 0.364 1.00 23.13 N ATOM 19 CA SER A 2 4.412 -3.349 0.285 1.00 70.22 C ATOM 20 C SER A 2 4.042 -4.344 -0.811 1.00 60.42 C ATOM 21 O SER A 2 3.140 -4.097 -1.612 1.00 33.03 O ATOM 22 CB SER A 2 4.520 -4.070 1.629 1.00 14.01 C ATOM 23 OG SER A 2 5.786 -4.689 1.776 1.00 44.23 O ATOM 0 HA SER A 2 5.378 -2.907 0.040 1.00 70.22 H new ATOM 0 HB2 SER A 2 4.363 -3.359 2.440 1.00 14.01 H new ATOM 0 HB3 SER A 2 3.734 -4.821 1.707 1.00 14.01 H new ATOM 0 HG SER A 2 5.830 -5.142 2.644 1.00 44.23 H new ATOM 29 N VAL A 3 4.746 -5.471 -0.841 1.00 5.10 N ATOM 30 CA VAL A 3 4.492 -6.505 -1.836 1.00 74.43 C ATOM 31 C VAL A 3 3.003 -6.815 -1.940 1.00 53.33 C ATOM 32 O VAL A 3 2.478 -7.033 -3.031 1.00 14.34 O ATOM 33 CB VAL A 3 5.253 -7.802 -1.506 1.00 11.31 C ATOM 34 CG1 VAL A 3 4.844 -8.919 -2.455 1.00 62.02 C ATOM 35 CG2 VAL A 3 6.755 -7.568 -1.562 1.00 71.40 C ATOM 0 H VAL A 3 5.497 -5.691 -0.187 1.00 5.10 H new ATOM 0 HA VAL A 3 4.847 -6.118 -2.791 1.00 74.43 H new ATOM 0 HB VAL A 3 4.993 -8.106 -0.492 1.00 11.31 H new ATOM 0 HG11 VAL A 3 5.393 -9.827 -2.206 1.00 62.02 H new ATOM 0 HG12 VAL A 3 3.774 -9.104 -2.360 1.00 62.02 H new ATOM 0 HG13 VAL A 3 5.072 -8.627 -3.480 1.00 62.02 H new ATOM 0 HG21 VAL A 3 7.277 -8.495 -1.326 1.00 71.40 H new ATOM 0 HG22 VAL A 3 7.035 -7.239 -2.563 1.00 71.40 H new ATOM 0 HG23 VAL A 3 7.031 -6.802 -0.837 1.00 71.40 H new ATOM 45 N GLU A 4 2.327 -6.833 -0.795 1.00 43.03 N ATOM 46 CA GLU A 4 0.897 -7.116 -0.757 1.00 11.43 C ATOM 47 C GLU A 4 0.137 -6.211 -1.723 1.00 22.33 C ATOM 48 O GLU A 4 -0.819 -6.638 -2.371 1.00 35.51 O ATOM 49 CB GLU A 4 0.356 -6.935 0.662 1.00 73.40 C ATOM 50 CG GLU A 4 -1.152 -7.086 0.763 1.00 34.13 C ATOM 51 CD GLU A 4 -1.572 -8.031 1.873 1.00 73.21 C ATOM 52 OE1 GLU A 4 -0.876 -9.049 2.079 1.00 60.22 O ATOM 53 OE2 GLU A 4 -2.592 -7.753 2.536 1.00 42.52 O1- ATOM 0 H GLU A 4 2.746 -6.655 0.118 1.00 43.03 H new ATOM 0 HA GLU A 4 0.749 -8.151 -1.064 1.00 11.43 H new ATOM 0 HB2 GLU A 4 0.830 -7.665 1.318 1.00 73.40 H new ATOM 0 HB3 GLU A 4 0.639 -5.947 1.026 1.00 73.40 H new ATOM 0 HG2 GLU A 4 -1.600 -6.108 0.935 1.00 34.13 H new ATOM 0 HG3 GLU A 4 -1.541 -7.452 -0.187 1.00 34.13 H new ATOM 60 N THR A 5 0.569 -4.958 -1.814 1.00 74.04 N ATOM 61 CA THR A 5 -0.070 -3.991 -2.698 1.00 61.14 C ATOM 62 C THR A 5 0.416 -4.154 -4.133 1.00 11.11 C ATOM 63 O THR A 5 -0.261 -3.744 -5.078 1.00 53.10 O ATOM 64 CB THR A 5 0.199 -2.545 -2.239 1.00 23.45 C ATOM 65 OG1 THR A 5 1.575 -2.212 -2.452 1.00 72.15 O ATOM 66 CG2 THR A 5 -0.148 -2.372 -0.767 1.00 71.31 C ATOM 0 H THR A 5 1.360 -4.588 -1.286 1.00 74.04 H new ATOM 0 HA THR A 5 -1.142 -4.184 -2.655 1.00 61.14 H new ATOM 0 HB THR A 5 -0.431 -1.877 -2.826 1.00 23.45 H new ATOM 0 HG1 THR A 5 2.143 -2.820 -1.934 1.00 72.15 H new ATOM 0 HG21 THR A 5 0.050 -1.344 -0.465 1.00 71.31 H new ATOM 0 HG22 THR A 5 -1.203 -2.599 -0.613 1.00 71.31 H new ATOM 0 HG23 THR A 5 0.460 -3.050 -0.168 1.00 71.31 H new ATOM 74 N ILE A 6 1.590 -4.756 -4.291 1.00 14.44 N ATOM 75 CA ILE A 6 2.163 -4.975 -5.613 1.00 13.03 C ATOM 76 C ILE A 6 1.533 -6.186 -6.292 1.00 73.35 C ATOM 77 O ILE A 6 1.210 -6.147 -7.480 1.00 33.51 O ATOM 78 CB ILE A 6 3.688 -5.177 -5.539 1.00 41.41 C ATOM 79 CG1 ILE A 6 4.321 -4.118 -4.634 1.00 24.24 C ATOM 80 CG2 ILE A 6 4.298 -5.127 -6.931 1.00 42.51 C ATOM 81 CD1 ILE A 6 3.830 -2.715 -4.912 1.00 64.21 C ATOM 0 H ILE A 6 2.163 -5.101 -3.520 1.00 14.44 H new ATOM 0 HA ILE A 6 1.951 -4.082 -6.201 1.00 13.03 H new ATOM 0 HB ILE A 6 3.889 -6.160 -5.112 1.00 41.41 H new ATOM 0 HG12 ILE A 6 4.112 -4.368 -3.594 1.00 24.24 H new ATOM 0 HG13 ILE A 6 5.404 -4.147 -4.757 1.00 24.24 H new ATOM 0 HG21 ILE A 6 5.376 -5.271 -6.861 1.00 42.51 H new ATOM 0 HG22 ILE A 6 3.865 -5.916 -7.546 1.00 42.51 H new ATOM 0 HG23 ILE A 6 4.090 -4.158 -7.385 1.00 42.51 H new ATOM 0 HD11 ILE A 6 4.321 -2.017 -4.234 1.00 64.21 H new ATOM 0 HD12 ILE A 6 4.063 -2.445 -5.942 1.00 64.21 H new ATOM 0 HD13 ILE A 6 2.751 -2.670 -4.761 1.00 64.21 H new ATOM 93 N ILE A 7 1.360 -7.262 -5.531 1.00 51.41 N ATOM 94 CA ILE A 7 0.765 -8.482 -6.058 1.00 0.02 C ATOM 95 C ILE A 7 -0.743 -8.334 -6.221 1.00 53.31 C ATOM 96 O ILE A 7 -1.357 -9.006 -7.050 1.00 54.10 O ATOM 97 CB ILE A 7 1.055 -9.689 -5.146 1.00 13.24 C ATOM 98 CG1 ILE A 7 2.558 -9.972 -5.101 1.00 70.25 C ATOM 99 CG2 ILE A 7 0.294 -10.914 -5.630 1.00 54.25 C ATOM 100 CD1 ILE A 7 3.111 -10.508 -6.402 1.00 52.51 C ATOM 0 H ILE A 7 1.624 -7.312 -4.547 1.00 51.41 H new ATOM 0 HA ILE A 7 1.217 -8.656 -7.034 1.00 0.02 H new ATOM 0 HB ILE A 7 0.718 -9.452 -4.137 1.00 13.24 H new ATOM 0 HG12 ILE A 7 3.085 -9.053 -4.843 1.00 70.25 H new ATOM 0 HG13 ILE A 7 2.761 -10.690 -4.306 1.00 70.25 H new ATOM 0 HG21 ILE A 7 0.509 -11.758 -4.975 1.00 54.25 H new ATOM 0 HG22 ILE A 7 -0.776 -10.707 -5.615 1.00 54.25 H new ATOM 0 HG23 ILE A 7 0.603 -11.156 -6.647 1.00 54.25 H new ATOM 0 HD11 ILE A 7 4.181 -10.685 -6.297 1.00 52.51 H new ATOM 0 HD12 ILE A 7 2.611 -11.444 -6.652 1.00 52.51 H new ATOM 0 HD13 ILE A 7 2.940 -9.782 -7.197 1.00 52.51 H new ATOM 112 N GLU A 8 -1.335 -7.448 -5.426 1.00 35.43 N ATOM 113 CA GLU A 8 -2.772 -7.210 -5.484 1.00 71.25 C ATOM 114 C GLU A 8 -3.222 -6.937 -6.917 1.00 71.52 C ATOM 115 O GLU A 8 -4.298 -7.366 -7.334 1.00 32.54 O ATOM 116 CB GLU A 8 -3.154 -6.033 -4.585 1.00 71.25 C ATOM 117 CG GLU A 8 -3.014 -4.680 -5.261 1.00 15.12 C ATOM 118 CD GLU A 8 -2.950 -3.535 -4.269 1.00 1.01 C ATOM 119 OE1 GLU A 8 -3.369 -3.732 -3.109 1.00 75.25 O ATOM 120 OE2 GLU A 8 -2.482 -2.442 -4.652 1.00 14.41 O1- ATOM 0 H GLU A 8 -0.841 -6.884 -4.734 1.00 35.43 H new ATOM 0 HA GLU A 8 -3.277 -8.108 -5.128 1.00 71.25 H new ATOM 0 HB2 GLU A 8 -4.185 -6.159 -4.254 1.00 71.25 H new ATOM 0 HB3 GLU A 8 -2.528 -6.050 -3.693 1.00 71.25 H new ATOM 0 HG2 GLU A 8 -2.112 -4.676 -5.873 1.00 15.12 H new ATOM 0 HG3 GLU A 8 -3.857 -4.526 -5.934 1.00 15.12 H new ATOM 127 N ARG A 9 -2.389 -6.221 -7.665 1.00 14.15 N ATOM 128 CA ARG A 9 -2.701 -5.888 -9.050 1.00 33.34 C ATOM 129 C ARG A 9 -2.449 -7.082 -9.965 1.00 22.34 C ATOM 130 O ARG A 9 -3.178 -7.298 -10.934 1.00 52.23 O ATOM 131 CB ARG A 9 -1.863 -4.694 -9.510 1.00 41.22 C ATOM 132 CG ARG A 9 -2.653 -3.400 -9.616 1.00 63.41 C ATOM 133 CD ARG A 9 -1.919 -2.243 -8.956 1.00 44.44 C ATOM 134 NE ARG A 9 -1.941 -1.038 -9.781 1.00 1.20 N ATOM 135 CZ ARG A 9 -1.651 0.173 -9.321 1.00 43.43 C ATOM 136 NH1 ARG A 9 -1.318 0.340 -8.048 1.00 23.04 N1+ ATOM 137 NH2 ARG A 9 -1.693 1.221 -10.134 1.00 51.24 N ATOM 0 H ARG A 9 -1.493 -5.860 -7.336 1.00 14.15 H new ATOM 0 HA ARG A 9 -3.757 -5.625 -9.106 1.00 33.34 H new ATOM 0 HB2 ARG A 9 -1.038 -4.550 -8.813 1.00 41.22 H new ATOM 0 HB3 ARG A 9 -1.423 -4.922 -10.481 1.00 41.22 H new ATOM 0 HG2 ARG A 9 -2.832 -3.167 -10.666 1.00 63.41 H new ATOM 0 HG3 ARG A 9 -3.628 -3.529 -9.147 1.00 63.41 H new ATOM 0 HD2 ARG A 9 -2.375 -2.029 -7.989 1.00 44.44 H new ATOM 0 HD3 ARG A 9 -0.886 -2.532 -8.764 1.00 44.44 H new ATOM 0 HE ARG A 9 -2.193 -1.132 -10.765 1.00 1.20 H new ATOM 0 HH11 ARG A 9 -1.284 -0.463 -7.420 1.00 23.04 H new ATOM 0 HH12 ARG A 9 -1.096 1.272 -7.697 1.00 23.04 H new ATOM 0 HH21 ARG A 9 -1.948 1.097 -11.114 1.00 51.24 H new ATOM 0 HH22 ARG A 9 -1.470 2.151 -9.779 1.00 51.24 H new ATOM 151 N ILE A 10 -1.414 -7.854 -9.653 1.00 40.41 N ATOM 152 CA ILE A 10 -1.069 -9.026 -10.447 1.00 14.34 C ATOM 153 C ILE A 10 -2.175 -10.073 -10.393 1.00 62.03 C ATOM 154 O ILE A 10 -2.721 -10.471 -11.422 1.00 74.00 O ATOM 155 CB ILE A 10 0.250 -9.662 -9.966 1.00 5.51 C ATOM 156 CG1 ILE A 10 1.419 -8.704 -10.199 1.00 24.51 C ATOM 157 CG2 ILE A 10 0.491 -10.984 -10.681 1.00 55.12 C ATOM 158 CD1 ILE A 10 2.640 -9.025 -9.366 1.00 13.02 C ATOM 0 H ILE A 10 -0.800 -7.689 -8.856 1.00 40.41 H new ATOM 0 HA ILE A 10 -0.946 -8.686 -11.475 1.00 14.34 H new ATOM 0 HB ILE A 10 0.173 -9.857 -8.896 1.00 5.51 H new ATOM 0 HG12 ILE A 10 1.693 -8.728 -11.254 1.00 24.51 H new ATOM 0 HG13 ILE A 10 1.095 -7.687 -9.977 1.00 24.51 H new ATOM 0 HG21 ILE A 10 1.426 -11.422 -10.331 1.00 55.12 H new ATOM 0 HG22 ILE A 10 -0.331 -11.667 -10.469 1.00 55.12 H new ATOM 0 HG23 ILE A 10 0.551 -10.811 -11.755 1.00 55.12 H new ATOM 0 HD11 ILE A 10 3.429 -8.305 -9.584 1.00 13.02 H new ATOM 0 HD12 ILE A 10 2.383 -8.973 -8.308 1.00 13.02 H new ATOM 0 HD13 ILE A 10 2.990 -10.029 -9.605 1.00 13.02 H new ATOM 170 N LYS A 11 -2.503 -10.516 -9.183 1.00 61.13 N ATOM 171 CA LYS A 11 -3.548 -11.516 -8.992 1.00 50.23 C ATOM 172 C LYS A 11 -4.846 -11.083 -9.666 1.00 62.52 C ATOM 173 O LYS A 11 -5.558 -11.902 -10.245 1.00 43.22 O ATOM 174 CB LYS A 11 -3.789 -11.751 -7.499 1.00 4.34 C ATOM 175 CG LYS A 11 -3.837 -10.472 -6.681 1.00 75.22 C ATOM 176 CD LYS A 11 -5.009 -10.471 -5.715 1.00 21.30 C ATOM 177 CE LYS A 11 -6.113 -9.533 -6.178 1.00 45.52 C ATOM 178 NZ LYS A 11 -7.463 -10.134 -5.997 1.00 13.21 N1+ ATOM 0 H LYS A 11 -2.060 -10.198 -8.321 1.00 61.13 H new ATOM 0 HA LYS A 11 -3.215 -12.447 -9.451 1.00 50.23 H new ATOM 0 HB2 LYS A 11 -4.728 -12.289 -7.372 1.00 4.34 H new ATOM 0 HB3 LYS A 11 -2.999 -12.392 -7.109 1.00 4.34 H new ATOM 0 HG2 LYS A 11 -2.906 -10.360 -6.125 1.00 75.22 H new ATOM 0 HG3 LYS A 11 -3.915 -9.614 -7.349 1.00 75.22 H new ATOM 0 HD2 LYS A 11 -5.405 -11.482 -5.621 1.00 21.30 H new ATOM 0 HD3 LYS A 11 -4.666 -10.170 -4.725 1.00 21.30 H new ATOM 0 HE2 LYS A 11 -6.054 -8.599 -5.620 1.00 45.52 H new ATOM 0 HE3 LYS A 11 -5.963 -9.286 -7.229 1.00 45.52 H new ATOM 0 HZ1 LYS A 11 -8.188 -9.464 -6.324 1.00 13.21 H new ATOM 0 HZ2 LYS A 11 -7.529 -11.013 -6.550 1.00 13.21 H new ATOM 0 HZ3 LYS A 11 -7.617 -10.346 -4.990 1.00 13.21 H new ATOM 192 N ALA A 12 -5.145 -9.791 -9.586 1.00 55.14 N ATOM 193 CA ALA A 12 -6.355 -9.249 -10.192 1.00 34.34 C ATOM 194 C ALA A 12 -6.299 -9.344 -11.713 1.00 55.24 C ATOM 195 O ALA A 12 -7.321 -9.540 -12.370 1.00 10.40 O ATOM 196 CB ALA A 12 -6.561 -7.805 -9.760 1.00 45.33 C ATOM 0 H ALA A 12 -4.566 -9.100 -9.108 1.00 55.14 H new ATOM 0 HA ALA A 12 -7.201 -9.845 -9.848 1.00 34.34 H new ATOM 0 HB1 ALA A 12 -7.468 -7.413 -10.220 1.00 45.33 H new ATOM 0 HB2 ALA A 12 -6.656 -7.760 -8.675 1.00 45.33 H new ATOM 0 HB3 ALA A 12 -5.707 -7.206 -10.075 1.00 45.33 H new ATOM 202 N ARG A 13 -5.098 -9.206 -12.266 1.00 1.42 N ATOM 203 CA ARG A 13 -4.909 -9.275 -13.710 1.00 42.34 C ATOM 204 C ARG A 13 -4.900 -10.724 -14.188 1.00 75.41 C ATOM 205 O ARG A 13 -5.492 -11.053 -15.216 1.00 71.34 O ATOM 206 CB ARG A 13 -3.602 -8.588 -14.108 1.00 55.21 C ATOM 207 CG ARG A 13 -3.371 -8.540 -15.609 1.00 12.20 C ATOM 208 CD ARG A 13 -4.116 -7.381 -16.251 1.00 25.52 C ATOM 209 NE ARG A 13 -3.288 -6.181 -16.342 1.00 14.11 N ATOM 210 CZ ARG A 13 -3.780 -4.961 -16.523 1.00 35.11 C ATOM 211 NH1 ARG A 13 -5.090 -4.779 -16.631 1.00 42.00 N1+ ATOM 212 NH2 ARG A 13 -2.963 -3.919 -16.596 1.00 54.31 N ATOM 0 H ARG A 13 -4.242 -9.046 -11.736 1.00 1.42 H new ATOM 0 HA ARG A 13 -5.743 -8.758 -14.185 1.00 42.34 H new ATOM 0 HB2 ARG A 13 -3.602 -7.571 -13.716 1.00 55.21 H new ATOM 0 HB3 ARG A 13 -2.769 -9.110 -13.637 1.00 55.21 H new ATOM 0 HG2 ARG A 13 -2.304 -8.445 -15.811 1.00 12.20 H new ATOM 0 HG3 ARG A 13 -3.698 -9.478 -16.059 1.00 12.20 H new ATOM 0 HD2 ARG A 13 -4.446 -7.670 -17.249 1.00 25.52 H new ATOM 0 HD3 ARG A 13 -5.012 -7.160 -15.671 1.00 25.52 H new ATOM 0 HE ARG A 13 -2.277 -6.286 -16.262 1.00 14.11 H new ATOM 0 HH11 ARG A 13 -5.722 -5.578 -16.575 1.00 42.00 H new ATOM 0 HH12 ARG A 13 -5.465 -3.841 -16.770 1.00 42.00 H new ATOM 0 HH21 ARG A 13 -1.955 -4.054 -16.513 1.00 54.31 H new ATOM 0 HH22 ARG A 13 -3.342 -2.982 -16.735 1.00 54.31 H new ATOM 226 N VAL A 14 -4.224 -11.586 -13.435 1.00 22.42 N ATOM 227 CA VAL A 14 -4.139 -13.000 -13.781 1.00 65.13 C ATOM 228 C VAL A 14 -5.522 -13.587 -14.042 1.00 11.41 C ATOM 229 O VAL A 14 -5.737 -14.277 -15.037 1.00 11.41 O ATOM 230 CB VAL A 14 -3.451 -13.810 -12.668 1.00 21.10 C ATOM 231 CG1 VAL A 14 -3.200 -15.239 -13.123 1.00 11.02 C ATOM 232 CG2 VAL A 14 -2.151 -13.140 -12.247 1.00 61.14 C ATOM 0 H VAL A 14 -3.727 -11.330 -12.582 1.00 22.42 H new ATOM 0 HA VAL A 14 -3.542 -13.067 -14.690 1.00 65.13 H new ATOM 0 HB VAL A 14 -4.114 -13.841 -11.804 1.00 21.10 H new ATOM 0 HG11 VAL A 14 -2.713 -15.796 -12.322 1.00 11.02 H new ATOM 0 HG12 VAL A 14 -4.149 -15.714 -13.370 1.00 11.02 H new ATOM 0 HG13 VAL A 14 -2.558 -15.233 -14.003 1.00 11.02 H new ATOM 0 HG21 VAL A 14 -1.678 -13.726 -11.459 1.00 61.14 H new ATOM 0 HG22 VAL A 14 -1.481 -13.076 -13.104 1.00 61.14 H new ATOM 0 HG23 VAL A 14 -2.362 -12.137 -11.876 1.00 61.14 H new ATOM 242 N GLY A 15 -6.457 -13.306 -13.139 1.00 21.44 N ATOM 243 CA GLY A 15 -7.808 -13.813 -13.289 1.00 52.30 C ATOM 244 C GLY A 15 -8.684 -12.895 -14.118 1.00 73.25 C ATOM 245 O GLY A 15 -9.901 -13.067 -14.169 1.00 42.21 O ATOM 0 H GLY A 15 -6.303 -12.737 -12.307 1.00 21.44 H new ATOM 0 HA2 GLY A 15 -7.773 -14.797 -13.757 1.00 52.30 H new ATOM 0 HA3 GLY A 15 -8.255 -13.944 -12.304 1.00 52.30 H new ATOM 249 N ALA A 16 -8.064 -11.914 -14.767 1.00 11.20 N ATOM 250 CA ALA A 16 -8.795 -10.965 -15.596 1.00 51.25 C ATOM 251 C ALA A 16 -8.422 -11.121 -17.067 1.00 3.23 C ATOM 252 O ALA A 16 -9.013 -10.483 -17.938 1.00 4.14 O ATOM 253 CB ALA A 16 -8.528 -9.541 -15.131 1.00 14.21 C ATOM 0 H ALA A 16 -7.057 -11.757 -14.734 1.00 11.20 H new ATOM 0 HA ALA A 16 -9.859 -11.175 -15.493 1.00 51.25 H new ATOM 0 HB1 ALA A 16 -9.081 -8.843 -15.760 1.00 14.21 H new ATOM 0 HB2 ALA A 16 -8.850 -9.430 -14.096 1.00 14.21 H new ATOM 0 HB3 ALA A 16 -7.461 -9.328 -15.204 1.00 14.21 H new ATOM 259 N VAL A 17 -7.436 -11.972 -17.336 1.00 61.40 N ATOM 260 CA VAL A 17 -6.984 -12.211 -18.701 1.00 25.41 C ATOM 261 C VAL A 17 -8.157 -12.545 -19.617 1.00 62.03 C ATOM 262 O VAL A 17 -9.062 -13.288 -19.239 1.00 65.32 O ATOM 263 CB VAL A 17 -5.958 -13.358 -18.760 1.00 5.11 C ATOM 264 CG1 VAL A 17 -5.721 -13.789 -20.199 1.00 42.13 C ATOM 265 CG2 VAL A 17 -4.654 -12.940 -18.099 1.00 53.34 C ATOM 0 H VAL A 17 -6.936 -12.507 -16.626 1.00 61.40 H new ATOM 0 HA VAL A 17 -6.509 -11.291 -19.043 1.00 25.41 H new ATOM 0 HB VAL A 17 -6.360 -14.210 -18.212 1.00 5.11 H new ATOM 0 HG11 VAL A 17 -4.993 -14.600 -20.221 1.00 42.13 H new ATOM 0 HG12 VAL A 17 -6.659 -14.131 -20.635 1.00 42.13 H new ATOM 0 HG13 VAL A 17 -5.340 -12.945 -20.774 1.00 42.13 H new ATOM 0 HG21 VAL A 17 -3.940 -13.762 -18.150 1.00 53.34 H new ATOM 0 HG22 VAL A 17 -4.245 -12.072 -18.617 1.00 53.34 H new ATOM 0 HG23 VAL A 17 -4.840 -12.685 -17.056 1.00 53.34 H new ATOM 275 N ASP A 18 -8.133 -11.991 -20.825 1.00 53.03 N ATOM 276 CA ASP A 18 -9.192 -12.231 -21.797 1.00 53.12 C ATOM 277 C ASP A 18 -8.733 -13.212 -22.871 1.00 33.02 C ATOM 278 O ASP A 18 -7.581 -13.198 -23.307 1.00 11.13 O ATOM 279 CB ASP A 18 -9.629 -10.915 -22.443 1.00 41.05 C ATOM 280 CG ASP A 18 -10.564 -10.117 -21.556 1.00 3.44 C ATOM 281 OD1 ASP A 18 -11.448 -10.730 -20.921 1.00 41.35 O ATOM 282 OD2 ASP A 18 -10.412 -8.880 -21.495 1.00 43.50 O1- ATOM 0 H ASP A 18 -7.391 -11.373 -21.154 1.00 53.03 H new ATOM 0 HA ASP A 18 -10.041 -12.668 -21.271 1.00 53.12 H new ATOM 0 HB2 ASP A 18 -8.748 -10.315 -22.670 1.00 41.05 H new ATOM 0 HB3 ASP A 18 -10.124 -11.126 -23.391 1.00 41.05 H new ATOM 287 N PRO A 19 -9.653 -14.084 -23.310 1.00 61.33 N ATOM 288 CA PRO A 19 -9.365 -15.088 -24.337 1.00 24.45 C ATOM 289 C PRO A 19 -9.158 -14.466 -25.714 1.00 52.45 C ATOM 290 O PRO A 19 -8.716 -15.135 -26.648 1.00 60.01 O ATOM 291 CB PRO A 19 -10.615 -15.971 -24.332 1.00 44.51 C ATOM 292 CG PRO A 19 -11.699 -15.088 -23.817 1.00 61.04 C ATOM 293 CD PRO A 19 -11.044 -14.158 -22.834 1.00 65.12 C ATOM 0 HA PRO A 19 -8.443 -15.630 -24.128 1.00 24.45 H new ATOM 0 HB2 PRO A 19 -10.845 -16.338 -25.332 1.00 44.51 H new ATOM 0 HB3 PRO A 19 -10.480 -16.845 -23.695 1.00 44.51 H new ATOM 0 HG2 PRO A 19 -12.167 -14.531 -24.629 1.00 61.04 H new ATOM 0 HG3 PRO A 19 -12.484 -15.673 -23.337 1.00 61.04 H new ATOM 0 HD2 PRO A 19 -11.520 -13.177 -22.830 1.00 65.12 H new ATOM 0 HD3 PRO A 19 -11.101 -14.544 -21.816 1.00 65.12 H new ATOM 301 N ASN A 20 -9.480 -13.183 -25.832 1.00 14.21 N ATOM 302 CA ASN A 20 -9.330 -12.470 -27.096 1.00 51.20 C ATOM 303 C ASN A 20 -7.864 -12.148 -27.367 1.00 32.21 C ATOM 304 O ASN A 20 -7.416 -12.164 -28.513 1.00 25.02 O ATOM 305 CB ASN A 20 -10.151 -11.179 -27.078 1.00 64.43 C ATOM 306 CG ASN A 20 -11.399 -11.276 -27.936 1.00 2.35 C ATOM 307 OD1 ASN A 20 -11.547 -10.550 -28.919 1.00 4.13 O ATOM 308 ND2 ASN A 20 -12.303 -12.176 -27.565 1.00 52.44 N ATOM 0 H ASN A 20 -9.847 -12.615 -25.068 1.00 14.21 H new ATOM 0 HA ASN A 20 -9.697 -13.115 -27.894 1.00 51.20 H new ATOM 0 HB2 ASN A 20 -10.436 -10.947 -26.052 1.00 64.43 H new ATOM 0 HB3 ASN A 20 -9.533 -10.354 -27.432 1.00 64.43 H new ATOM 0 HD21 ASN A 20 -13.163 -12.287 -28.103 1.00 52.44 H new ATOM 0 HD22 ASN A 20 -12.137 -12.756 -26.743 1.00 52.44 H new ATOM 315 N GLY A 21 -7.120 -11.856 -26.305 1.00 50.52 N ATOM 316 CA GLY A 21 -5.712 -11.536 -26.449 1.00 62.51 C ATOM 317 C GLY A 21 -4.834 -12.770 -26.448 1.00 11.23 C ATOM 318 O GLY A 21 -4.574 -13.375 -27.488 1.00 25.24 O ATOM 0 H GLY A 21 -7.468 -11.835 -25.346 1.00 50.52 H new ATOM 0 HA2 GLY A 21 -5.561 -10.987 -27.378 1.00 62.51 H new ATOM 0 HA3 GLY A 21 -5.408 -10.877 -25.636 1.00 62.51 H new ATOM 322 N PRO A 22 -4.356 -13.161 -25.257 1.00 62.45 N ATOM 323 CA PRO A 22 -3.493 -14.335 -25.095 1.00 23.24 C ATOM 324 C PRO A 22 -4.241 -15.641 -25.333 1.00 51.52 C ATOM 325 O PRO A 22 -5.349 -15.644 -25.871 1.00 44.23 O ATOM 326 CB PRO A 22 -3.035 -14.240 -23.637 1.00 44.15 C ATOM 327 CG PRO A 22 -4.105 -13.460 -22.954 1.00 54.42 C ATOM 328 CD PRO A 22 -4.625 -12.486 -23.974 1.00 52.42 C ATOM 0 HA PRO A 22 -2.674 -14.341 -25.814 1.00 23.24 H new ATOM 0 HB2 PRO A 22 -2.921 -15.229 -23.193 1.00 44.15 H new ATOM 0 HB3 PRO A 22 -2.069 -13.741 -23.557 1.00 44.15 H new ATOM 0 HG2 PRO A 22 -4.900 -14.116 -22.600 1.00 54.42 H new ATOM 0 HG3 PRO A 22 -3.711 -12.938 -22.082 1.00 54.42 H new ATOM 0 HD2 PRO A 22 -5.689 -12.291 -23.838 1.00 52.42 H new ATOM 0 HD3 PRO A 22 -4.114 -11.525 -23.910 1.00 52.42 H new ATOM 336 N ARG A 23 -3.629 -16.751 -24.932 1.00 3.14 N ATOM 337 CA ARG A 23 -4.237 -18.064 -25.103 1.00 53.14 C ATOM 338 C ARG A 23 -3.892 -18.980 -23.933 1.00 53.31 C ATOM 339 O ARG A 23 -2.991 -18.687 -23.145 1.00 11.32 O ATOM 340 CB ARG A 23 -3.771 -18.698 -26.415 1.00 65.52 C ATOM 341 CG ARG A 23 -4.324 -18.010 -27.653 1.00 43.32 C ATOM 342 CD ARG A 23 -5.845 -18.029 -27.669 1.00 4.23 C ATOM 343 NE ARG A 23 -6.372 -18.513 -28.941 1.00 13.13 N ATOM 344 CZ ARG A 23 -6.460 -19.800 -29.259 1.00 63.53 C ATOM 345 NH1 ARG A 23 -6.058 -20.727 -28.401 1.00 60.23 N1+ ATOM 346 NH2 ARG A 23 -6.953 -20.162 -30.437 1.00 32.33 N ATOM 0 H ARG A 23 -2.712 -16.766 -24.486 1.00 3.14 H new ATOM 0 HA ARG A 23 -5.319 -17.934 -25.134 1.00 53.14 H new ATOM 0 HB2 ARG A 23 -2.682 -18.676 -26.453 1.00 65.52 H new ATOM 0 HB3 ARG A 23 -4.069 -19.746 -26.428 1.00 65.52 H new ATOM 0 HG2 ARG A 23 -3.972 -16.979 -27.686 1.00 43.32 H new ATOM 0 HG3 ARG A 23 -3.943 -18.505 -28.546 1.00 43.32 H new ATOM 0 HD2 ARG A 23 -6.208 -18.664 -26.861 1.00 4.23 H new ATOM 0 HD3 ARG A 23 -6.222 -17.024 -27.479 1.00 4.23 H new ATOM 0 HE ARG A 23 -6.690 -17.825 -29.624 1.00 13.13 H new ATOM 0 HH11 ARG A 23 -5.680 -20.453 -27.494 1.00 60.23 H new ATOM 0 HH12 ARG A 23 -6.127 -21.714 -28.648 1.00 60.23 H new ATOM 0 HH21 ARG A 23 -7.265 -19.452 -31.099 1.00 32.33 H new ATOM 0 HH22 ARG A 23 -7.020 -21.150 -30.680 1.00 32.33 H new ATOM 360 N LYS A 24 -4.614 -20.089 -23.824 1.00 71.13 N ATOM 361 CA LYS A 24 -4.385 -21.050 -22.751 1.00 41.04 C ATOM 362 C LYS A 24 -3.027 -21.726 -22.907 1.00 22.22 C ATOM 363 O LYS A 24 -2.870 -22.648 -23.708 1.00 21.24 O ATOM 364 CB LYS A 24 -5.494 -22.104 -22.736 1.00 44.53 C ATOM 365 CG LYS A 24 -6.656 -21.753 -21.825 1.00 62.53 C ATOM 366 CD LYS A 24 -7.954 -22.377 -22.311 1.00 63.55 C ATOM 367 CE LYS A 24 -9.069 -22.210 -21.289 1.00 34.31 C ATOM 368 NZ LYS A 24 -10.412 -22.192 -21.932 1.00 63.14 N1+ ATOM 0 H LYS A 24 -5.364 -20.345 -24.466 1.00 71.13 H new ATOM 0 HA LYS A 24 -4.395 -20.509 -21.805 1.00 41.04 H new ATOM 0 HB2 LYS A 24 -5.868 -22.240 -23.751 1.00 44.53 H new ATOM 0 HB3 LYS A 24 -5.072 -23.058 -22.421 1.00 44.53 H new ATOM 0 HG2 LYS A 24 -6.443 -22.097 -20.813 1.00 62.53 H new ATOM 0 HG3 LYS A 24 -6.768 -20.670 -21.777 1.00 62.53 H new ATOM 0 HD2 LYS A 24 -8.250 -21.916 -23.253 1.00 63.55 H new ATOM 0 HD3 LYS A 24 -7.797 -23.437 -22.510 1.00 63.55 H new ATOM 0 HE2 LYS A 24 -9.024 -23.024 -20.566 1.00 34.31 H new ATOM 0 HE3 LYS A 24 -8.919 -21.283 -20.736 1.00 34.31 H new ATOM 0 HZ1 LYS A 24 -11.144 -22.077 -21.203 1.00 63.14 H new ATOM 0 HZ2 LYS A 24 -10.465 -21.400 -22.604 1.00 63.14 H new ATOM 0 HZ3 LYS A 24 -10.566 -23.087 -22.439 1.00 63.14 H new ATOM 382 N VAL A 25 -2.048 -21.265 -22.134 1.00 32.25 N ATOM 383 CA VAL A 25 -0.704 -21.827 -22.185 1.00 72.11 C ATOM 384 C VAL A 25 -0.443 -22.738 -20.991 1.00 51.12 C ATOM 385 O VAL A 25 -1.273 -22.847 -20.086 1.00 43.45 O ATOM 386 CB VAL A 25 0.367 -20.721 -22.217 1.00 34.14 C ATOM 387 CG1 VAL A 25 0.221 -19.871 -23.470 1.00 11.11 C ATOM 388 CG2 VAL A 25 0.280 -19.860 -20.965 1.00 3.14 C ATOM 0 H VAL A 25 -2.161 -20.503 -21.465 1.00 32.25 H new ATOM 0 HA VAL A 25 -0.640 -22.410 -23.104 1.00 72.11 H new ATOM 0 HB VAL A 25 1.350 -21.192 -22.240 1.00 34.14 H new ATOM 0 HG11 VAL A 25 0.986 -19.095 -23.475 1.00 11.11 H new ATOM 0 HG12 VAL A 25 0.337 -20.500 -24.352 1.00 11.11 H new ATOM 0 HG13 VAL A 25 -0.765 -19.408 -23.482 1.00 11.11 H new ATOM 0 HG21 VAL A 25 1.044 -19.083 -21.004 1.00 3.14 H new ATOM 0 HG22 VAL A 25 -0.705 -19.397 -20.909 1.00 3.14 H new ATOM 0 HG23 VAL A 25 0.439 -20.482 -20.084 1.00 3.14 H new ATOM 398 N LEU A 26 0.714 -23.390 -20.992 1.00 52.13 N ATOM 399 CA LEU A 26 1.085 -24.292 -19.907 1.00 53.31 C ATOM 400 C LEU A 26 2.439 -23.906 -19.318 1.00 41.52 C ATOM 401 O LEU A 26 3.383 -23.608 -20.048 1.00 23.31 O ATOM 402 CB LEU A 26 1.128 -25.735 -20.409 1.00 34.22 C ATOM 403 CG LEU A 26 2.060 -26.008 -21.590 1.00 5.53 C ATOM 404 CD1 LEU A 26 2.544 -27.450 -21.566 1.00 50.53 C ATOM 405 CD2 LEU A 26 1.360 -25.701 -22.906 1.00 1.25 C ATOM 0 H LEU A 26 1.412 -23.311 -21.732 1.00 52.13 H new ATOM 0 HA LEU A 26 0.331 -24.209 -19.124 1.00 53.31 H new ATOM 0 HB2 LEU A 26 1.426 -26.378 -19.581 1.00 34.22 H new ATOM 0 HB3 LEU A 26 0.118 -26.030 -20.694 1.00 34.22 H new ATOM 0 HG LEU A 26 2.927 -25.353 -21.502 1.00 5.53 H new ATOM 0 HD11 LEU A 26 3.206 -27.626 -22.414 1.00 50.53 H new ATOM 0 HD12 LEU A 26 3.085 -27.637 -20.638 1.00 50.53 H new ATOM 0 HD13 LEU A 26 1.688 -28.122 -21.629 1.00 50.53 H new ATOM 0 HD21 LEU A 26 2.039 -25.901 -23.735 1.00 1.25 H new ATOM 0 HD22 LEU A 26 0.475 -26.329 -23.002 1.00 1.25 H new ATOM 0 HD23 LEU A 26 1.064 -24.652 -22.925 1.00 1.25 H new ATOM 417 N GLY A 27 2.525 -23.917 -17.990 1.00 11.13 N ATOM 418 CA GLY A 27 3.768 -23.569 -17.326 1.00 74.50 C ATOM 419 C GLY A 27 3.540 -22.909 -15.981 1.00 72.22 C ATOM 420 O GLY A 27 2.400 -22.754 -15.542 1.00 33.15 O ATOM 0 H GLY A 27 1.757 -24.160 -17.364 1.00 11.13 H new ATOM 0 HA2 GLY A 27 4.368 -24.469 -17.189 1.00 74.50 H new ATOM 0 HA3 GLY A 27 4.342 -22.897 -17.964 1.00 74.50 H new ATOM 424 N VAL A 28 4.627 -22.519 -15.322 1.00 0.31 N ATOM 425 CA VAL A 28 4.542 -21.873 -14.019 1.00 11.43 C ATOM 426 C VAL A 28 5.642 -20.831 -13.848 1.00 12.21 C ATOM 427 O VAL A 28 6.707 -20.932 -14.458 1.00 72.43 O ATOM 428 CB VAL A 28 4.641 -22.899 -12.875 1.00 51.42 C ATOM 429 CG1 VAL A 28 3.948 -22.376 -11.626 1.00 54.12 C ATOM 430 CG2 VAL A 28 4.047 -24.232 -13.305 1.00 65.50 C ATOM 0 H VAL A 28 5.578 -22.640 -15.671 1.00 0.31 H new ATOM 0 HA VAL A 28 3.570 -21.382 -13.974 1.00 11.43 H new ATOM 0 HB VAL A 28 5.694 -23.054 -12.639 1.00 51.42 H new ATOM 0 HG11 VAL A 28 4.029 -23.115 -10.829 1.00 54.12 H new ATOM 0 HG12 VAL A 28 4.422 -21.447 -11.309 1.00 54.12 H new ATOM 0 HG13 VAL A 28 2.896 -22.191 -11.844 1.00 54.12 H new ATOM 0 HG21 VAL A 28 4.125 -24.946 -12.485 1.00 65.50 H new ATOM 0 HG22 VAL A 28 2.998 -24.095 -13.569 1.00 65.50 H new ATOM 0 HG23 VAL A 28 4.592 -24.611 -14.170 1.00 65.50 H new ATOM 440 N PHE A 29 5.378 -19.831 -13.014 1.00 21.24 N ATOM 441 CA PHE A 29 6.346 -18.769 -12.764 1.00 24.31 C ATOM 442 C PHE A 29 6.632 -18.637 -11.270 1.00 74.32 C ATOM 443 O PHE A 29 5.729 -18.754 -10.442 1.00 14.41 O ATOM 444 CB PHE A 29 5.831 -17.439 -13.316 1.00 62.43 C ATOM 445 CG PHE A 29 5.565 -17.467 -14.794 1.00 74.23 C ATOM 446 CD1 PHE A 29 6.490 -18.017 -15.668 1.00 73.12 C ATOM 447 CD2 PHE A 29 4.391 -16.942 -15.310 1.00 0.33 C ATOM 448 CE1 PHE A 29 6.248 -18.044 -17.029 1.00 43.11 C ATOM 449 CE2 PHE A 29 4.144 -16.967 -16.670 1.00 64.12 C ATOM 450 CZ PHE A 29 5.074 -17.518 -17.530 1.00 52.54 C ATOM 0 H PHE A 29 4.502 -19.733 -12.500 1.00 21.24 H new ATOM 0 HA PHE A 29 7.274 -19.029 -13.273 1.00 24.31 H new ATOM 0 HB2 PHE A 29 4.913 -17.169 -12.795 1.00 62.43 H new ATOM 0 HB3 PHE A 29 6.561 -16.658 -13.101 1.00 62.43 H new ATOM 0 HD1 PHE A 29 7.410 -18.429 -15.281 1.00 73.12 H new ATOM 0 HD2 PHE A 29 3.661 -16.509 -14.642 1.00 0.33 H new ATOM 0 HE1 PHE A 29 6.976 -18.476 -17.699 1.00 43.11 H new ATOM 0 HE2 PHE A 29 3.224 -16.556 -17.060 1.00 64.12 H new ATOM 0 HZ PHE A 29 4.883 -17.537 -18.593 1.00 52.54 H new ATOM 460 N GLN A 30 7.895 -18.390 -10.935 1.00 73.10 N ATOM 461 CA GLN A 30 8.299 -18.243 -9.542 1.00 2.03 C ATOM 462 C GLN A 30 8.828 -16.837 -9.275 1.00 32.14 C ATOM 463 O GLN A 30 10.012 -16.560 -9.473 1.00 10.04 O ATOM 464 CB GLN A 30 9.368 -19.278 -9.187 1.00 11.10 C ATOM 465 CG GLN A 30 9.202 -19.872 -7.798 1.00 21.52 C ATOM 466 CD GLN A 30 9.728 -18.960 -6.707 1.00 3.11 C ATOM 467 OE1 GLN A 30 10.934 -18.730 -6.603 1.00 64.02 O ATOM 468 NE2 GLN A 30 8.826 -18.436 -5.887 1.00 1.20 N ATOM 0 H GLN A 30 8.654 -18.288 -11.608 1.00 73.10 H new ATOM 0 HA GLN A 30 7.422 -18.407 -8.916 1.00 2.03 H new ATOM 0 HB2 GLN A 30 9.342 -20.082 -9.922 1.00 11.10 H new ATOM 0 HB3 GLN A 30 10.351 -18.812 -9.259 1.00 11.10 H new ATOM 0 HG2 GLN A 30 8.147 -20.076 -7.618 1.00 21.52 H new ATOM 0 HG3 GLN A 30 9.724 -20.828 -7.751 1.00 21.52 H new ATOM 0 HE21 GLN A 30 7.837 -18.654 -6.010 1.00 1.20 H new ATOM 0 HE22 GLN A 30 9.121 -17.815 -5.134 1.00 1.20 H new ATOM 477 N LEU A 31 7.943 -15.953 -8.825 1.00 65.02 N ATOM 478 CA LEU A 31 8.321 -14.576 -8.532 1.00 54.50 C ATOM 479 C LEU A 31 8.952 -14.467 -7.147 1.00 53.24 C ATOM 480 O LEU A 31 8.405 -14.967 -6.165 1.00 13.04 O ATOM 481 CB LEU A 31 7.098 -13.661 -8.620 1.00 52.25 C ATOM 482 CG LEU A 31 7.066 -12.486 -7.643 1.00 62.25 C ATOM 483 CD1 LEU A 31 8.232 -11.544 -7.904 1.00 62.41 C ATOM 484 CD2 LEU A 31 5.744 -11.740 -7.747 1.00 64.43 C ATOM 0 H LEU A 31 6.960 -16.166 -8.656 1.00 65.02 H new ATOM 0 HA LEU A 31 9.057 -14.262 -9.272 1.00 54.50 H new ATOM 0 HB2 LEU A 31 7.037 -13.266 -9.634 1.00 52.25 H new ATOM 0 HB3 LEU A 31 6.205 -14.265 -8.459 1.00 52.25 H new ATOM 0 HG LEU A 31 7.160 -12.878 -6.630 1.00 62.25 H new ATOM 0 HD11 LEU A 31 8.193 -10.713 -7.199 1.00 62.41 H new ATOM 0 HD12 LEU A 31 9.171 -12.083 -7.778 1.00 62.41 H new ATOM 0 HD13 LEU A 31 8.168 -11.159 -8.922 1.00 62.41 H new ATOM 0 HD21 LEU A 31 5.740 -10.907 -7.044 1.00 64.43 H new ATOM 0 HD22 LEU A 31 5.620 -11.360 -8.761 1.00 64.43 H new ATOM 0 HD23 LEU A 31 4.924 -12.418 -7.511 1.00 64.43 H new ATOM 496 N ASN A 32 10.104 -13.809 -7.077 1.00 55.44 N ATOM 497 CA ASN A 32 10.808 -13.633 -5.812 1.00 63.23 C ATOM 498 C ASN A 32 11.118 -12.161 -5.561 1.00 53.21 C ATOM 499 O ASN A 32 11.959 -11.569 -6.239 1.00 30.12 O ATOM 500 CB ASN A 32 12.105 -14.446 -5.809 1.00 15.22 C ATOM 501 CG ASN A 32 11.867 -15.915 -6.103 1.00 74.20 C ATOM 502 OD1 ASN A 32 11.816 -16.742 -5.193 1.00 54.54 O ATOM 503 ND2 ASN A 32 11.720 -16.246 -7.381 1.00 41.33 N ATOM 0 H ASN A 32 10.570 -13.389 -7.881 1.00 55.44 H new ATOM 0 HA ASN A 32 10.160 -13.991 -5.012 1.00 63.23 H new ATOM 0 HB2 ASN A 32 12.789 -14.036 -6.552 1.00 15.22 H new ATOM 0 HB3 ASN A 32 12.591 -14.347 -4.838 1.00 15.22 H new ATOM 0 HD21 ASN A 32 11.557 -17.219 -7.640 1.00 41.33 H new ATOM 0 HD22 ASN A 32 11.770 -15.527 -8.103 1.00 41.33 H new ATOM 510 N ILE A 33 10.434 -11.576 -4.584 1.00 31.21 N ATOM 511 CA ILE A 33 10.638 -10.174 -4.243 1.00 31.14 C ATOM 512 C ILE A 33 11.592 -10.027 -3.063 1.00 52.44 C ATOM 513 O ILE A 33 11.442 -10.699 -2.043 1.00 11.10 O ATOM 514 CB ILE A 33 9.306 -9.478 -3.903 1.00 13.11 C ATOM 515 CG1 ILE A 33 8.303 -9.660 -5.044 1.00 12.13 C ATOM 516 CG2 ILE A 33 9.536 -8.000 -3.623 1.00 60.34 C ATOM 517 CD1 ILE A 33 7.427 -10.883 -4.888 1.00 72.22 C ATOM 0 H ILE A 33 9.734 -12.051 -4.015 1.00 31.21 H new ATOM 0 HA ILE A 33 11.075 -9.697 -5.120 1.00 31.14 H new ATOM 0 HB ILE A 33 8.893 -9.938 -3.005 1.00 13.11 H new ATOM 0 HG12 ILE A 33 7.670 -8.775 -5.105 1.00 12.13 H new ATOM 0 HG13 ILE A 33 8.846 -9.730 -5.987 1.00 12.13 H new ATOM 0 HG21 ILE A 33 8.586 -7.523 -3.385 1.00 60.34 H new ATOM 0 HG22 ILE A 33 10.218 -7.891 -2.780 1.00 60.34 H new ATOM 0 HG23 ILE A 33 9.969 -7.526 -4.504 1.00 60.34 H new ATOM 0 HD11 ILE A 33 6.741 -10.949 -5.732 1.00 72.22 H new ATOM 0 HD12 ILE A 33 8.051 -11.776 -4.857 1.00 72.22 H new ATOM 0 HD13 ILE A 33 6.857 -10.807 -3.962 1.00 72.22 H new ATOM 529 N LYS A 34 12.572 -9.142 -3.208 1.00 22.24 N ATOM 530 CA LYS A 34 13.551 -8.903 -2.153 1.00 23.21 C ATOM 531 C LYS A 34 12.927 -8.127 -0.998 1.00 44.34 C ATOM 532 O LYS A 34 11.987 -7.355 -1.190 1.00 15.11 O ATOM 533 CB LYS A 34 14.752 -8.135 -2.709 1.00 53.34 C ATOM 534 CG LYS A 34 15.800 -9.027 -3.352 1.00 41.43 C ATOM 535 CD LYS A 34 16.099 -8.595 -4.777 1.00 33.21 C ATOM 536 CE LYS A 34 17.513 -8.977 -5.190 1.00 40.23 C ATOM 537 NZ LYS A 34 17.520 -10.095 -6.174 1.00 30.42 N1+ ATOM 0 H LYS A 34 12.710 -8.578 -4.046 1.00 22.24 H new ATOM 0 HA LYS A 34 13.888 -9.869 -1.778 1.00 23.21 H new ATOM 0 HB2 LYS A 34 14.401 -7.412 -3.445 1.00 53.34 H new ATOM 0 HB3 LYS A 34 15.215 -7.568 -1.902 1.00 53.34 H new ATOM 0 HG2 LYS A 34 16.716 -8.998 -2.762 1.00 41.43 H new ATOM 0 HG3 LYS A 34 15.452 -10.060 -3.349 1.00 41.43 H new ATOM 0 HD2 LYS A 34 15.383 -9.057 -5.456 1.00 33.21 H new ATOM 0 HD3 LYS A 34 15.972 -7.516 -4.866 1.00 33.21 H new ATOM 0 HE2 LYS A 34 18.012 -8.110 -5.622 1.00 40.23 H new ATOM 0 HE3 LYS A 34 18.084 -9.266 -4.307 1.00 40.23 H new ATOM 0 HZ1 LYS A 34 18.501 -10.326 -6.430 1.00 30.42 H new ATOM 0 HZ2 LYS A 34 17.066 -10.931 -5.753 1.00 30.42 H new ATOM 0 HZ3 LYS A 34 16.997 -9.810 -7.027 1.00 30.42 H new ATOM 551 N THR A 35 13.456 -8.335 0.204 1.00 41.14 N ATOM 552 CA THR A 35 12.952 -7.655 1.389 1.00 62.04 C ATOM 553 C THR A 35 14.080 -7.341 2.365 1.00 21.21 C ATOM 554 O THR A 35 15.217 -7.769 2.172 1.00 42.41 O ATOM 555 CB THR A 35 11.885 -8.500 2.110 1.00 73.14 C ATOM 556 OG1 THR A 35 12.516 -9.469 2.955 1.00 74.33 O ATOM 557 CG2 THR A 35 10.983 -9.203 1.108 1.00 21.11 C ATOM 0 H THR A 35 14.234 -8.970 0.382 1.00 41.14 H new ATOM 0 HA THR A 35 12.499 -6.723 1.050 1.00 62.04 H new ATOM 0 HB THR A 35 11.274 -7.832 2.718 1.00 73.14 H new ATOM 0 HG1 THR A 35 11.831 -10.001 3.411 1.00 74.33 H new ATOM 0 HG21 THR A 35 10.238 -9.793 1.641 1.00 21.11 H new ATOM 0 HG22 THR A 35 10.482 -8.461 0.487 1.00 21.11 H new ATOM 0 HG23 THR A 35 11.582 -9.859 0.477 1.00 21.11 H new ATOM 565 N ALA A 36 13.758 -6.592 3.414 1.00 32.44 N ATOM 566 CA ALA A 36 14.744 -6.223 4.423 1.00 70.24 C ATOM 567 C ALA A 36 15.010 -7.381 5.380 1.00 54.21 C ATOM 568 O ALA A 36 15.976 -7.360 6.141 1.00 10.51 O ATOM 569 CB ALA A 36 14.280 -4.995 5.191 1.00 11.33 C ATOM 0 H ALA A 36 12.821 -6.228 3.588 1.00 32.44 H new ATOM 0 HA ALA A 36 15.678 -5.986 3.913 1.00 70.24 H new ATOM 0 HB1 ALA A 36 15.026 -4.731 5.941 1.00 11.33 H new ATOM 0 HB2 ALA A 36 14.149 -4.162 4.500 1.00 11.33 H new ATOM 0 HB3 ALA A 36 13.332 -5.210 5.683 1.00 11.33 H new ATOM 575 N SER A 37 14.144 -8.388 5.337 1.00 12.43 N ATOM 576 CA SER A 37 14.283 -9.552 6.204 1.00 24.12 C ATOM 577 C SER A 37 14.544 -10.813 5.384 1.00 71.45 C ATOM 578 O SER A 37 14.590 -11.917 5.922 1.00 35.33 O ATOM 579 CB SER A 37 13.023 -9.735 7.053 1.00 74.34 C ATOM 580 OG SER A 37 13.251 -9.340 8.395 1.00 31.32 O ATOM 0 H SER A 37 13.339 -8.421 4.711 1.00 12.43 H new ATOM 0 HA SER A 37 15.136 -9.384 6.862 1.00 24.12 H new ATOM 0 HB2 SER A 37 12.208 -9.147 6.631 1.00 74.34 H new ATOM 0 HB3 SER A 37 12.711 -10.779 7.026 1.00 74.34 H new ATOM 0 HG SER A 37 12.431 -9.465 8.917 1.00 31.32 H new ATOM 586 N GLY A 38 14.714 -10.636 4.077 1.00 20.32 N ATOM 587 CA GLY A 38 14.969 -11.766 3.204 1.00 11.02 C ATOM 588 C GLY A 38 14.317 -11.606 1.845 1.00 44.13 C ATOM 589 O GLY A 38 14.456 -10.567 1.199 1.00 2.10 O ATOM 0 H GLY A 38 14.680 -9.731 3.608 1.00 20.32 H new ATOM 0 HA2 GLY A 38 16.045 -11.887 3.076 1.00 11.02 H new ATOM 0 HA3 GLY A 38 14.600 -12.677 3.676 1.00 11.02 H new ATOM 593 N VAL A 39 13.604 -12.640 1.407 1.00 25.01 N ATOM 594 CA VAL A 39 12.928 -12.611 0.116 1.00 53.13 C ATOM 595 C VAL A 39 11.588 -13.334 0.180 1.00 4.40 C ATOM 596 O VAL A 39 11.460 -14.367 0.834 1.00 12.03 O ATOM 597 CB VAL A 39 13.793 -13.253 -0.985 1.00 31.52 C ATOM 598 CG1 VAL A 39 13.778 -14.769 -0.859 1.00 45.01 C ATOM 599 CG2 VAL A 39 13.311 -12.819 -2.361 1.00 44.20 C ATOM 0 H VAL A 39 13.480 -13.508 1.928 1.00 25.01 H new ATOM 0 HA VAL A 39 12.760 -11.562 -0.129 1.00 53.13 H new ATOM 0 HB VAL A 39 14.821 -12.912 -0.861 1.00 31.52 H new ATOM 0 HG11 VAL A 39 14.394 -15.206 -1.645 1.00 45.01 H new ATOM 0 HG12 VAL A 39 14.174 -15.057 0.115 1.00 45.01 H new ATOM 0 HG13 VAL A 39 12.755 -15.132 -0.956 1.00 45.01 H new ATOM 0 HG21 VAL A 39 13.933 -13.282 -3.127 1.00 44.20 H new ATOM 0 HG22 VAL A 39 12.275 -13.129 -2.498 1.00 44.20 H new ATOM 0 HG23 VAL A 39 13.379 -11.734 -2.445 1.00 44.20 H new ATOM 609 N GLU A 40 10.590 -12.782 -0.505 1.00 32.42 N ATOM 610 CA GLU A 40 9.259 -13.374 -0.524 1.00 60.10 C ATOM 611 C GLU A 40 9.048 -14.198 -1.792 1.00 42.53 C ATOM 612 O GLU A 40 9.180 -13.687 -2.904 1.00 20.13 O ATOM 613 CB GLU A 40 8.189 -12.284 -0.428 1.00 24.13 C ATOM 614 CG GLU A 40 8.416 -11.310 0.716 1.00 11.04 C ATOM 615 CD GLU A 40 7.154 -11.043 1.514 1.00 24.31 C ATOM 616 OE1 GLU A 40 7.260 -10.848 2.742 1.00 60.43 O ATOM 617 OE2 GLU A 40 6.062 -11.027 0.909 1.00 55.13 O1- ATOM 0 H GLU A 40 10.679 -11.926 -1.053 1.00 32.42 H new ATOM 0 HA GLU A 40 9.172 -14.035 0.338 1.00 60.10 H new ATOM 0 HB2 GLU A 40 8.161 -11.730 -1.366 1.00 24.13 H new ATOM 0 HB3 GLU A 40 7.213 -12.754 -0.306 1.00 24.13 H new ATOM 0 HG2 GLU A 40 9.184 -11.708 1.380 1.00 11.04 H new ATOM 0 HG3 GLU A 40 8.795 -10.369 0.317 1.00 11.04 H new ATOM 624 N GLN A 41 8.720 -15.473 -1.615 1.00 42.11 N ATOM 625 CA GLN A 41 8.493 -16.368 -2.744 1.00 75.52 C ATOM 626 C GLN A 41 7.035 -16.321 -3.190 1.00 53.35 C ATOM 627 O GLN A 41 6.141 -16.034 -2.393 1.00 61.42 O ATOM 628 CB GLN A 41 8.880 -17.800 -2.374 1.00 53.24 C ATOM 629 CG GLN A 41 10.332 -17.947 -1.949 1.00 24.20 C ATOM 630 CD GLN A 41 11.219 -18.452 -3.070 1.00 1.24 C ATOM 631 OE1 GLN A 41 10.737 -19.019 -4.051 1.00 52.30 O ATOM 632 NE2 GLN A 41 12.524 -18.247 -2.931 1.00 4.21 N ATOM 0 H GLN A 41 8.605 -15.910 -0.701 1.00 42.11 H new ATOM 0 HA GLN A 41 9.119 -16.034 -3.572 1.00 75.52 H new ATOM 0 HB2 GLN A 41 8.236 -18.144 -1.564 1.00 53.24 H new ATOM 0 HB3 GLN A 41 8.692 -18.451 -3.228 1.00 53.24 H new ATOM 0 HG2 GLN A 41 10.705 -16.983 -1.602 1.00 24.20 H new ATOM 0 HG3 GLN A 41 10.392 -18.635 -1.105 1.00 24.20 H new ATOM 0 HE21 GLN A 41 12.880 -17.773 -2.101 1.00 4.21 H new ATOM 0 HE22 GLN A 41 13.170 -18.564 -3.654 1.00 4.21 H new ATOM 641 N TRP A 42 6.803 -16.604 -4.466 1.00 43.02 N ATOM 642 CA TRP A 42 5.453 -16.594 -5.019 1.00 5.44 C ATOM 643 C TRP A 42 5.343 -17.546 -6.204 1.00 60.44 C ATOM 644 O TRP A 42 6.318 -17.775 -6.920 1.00 11.52 O ATOM 645 CB TRP A 42 5.067 -15.178 -5.449 1.00 34.30 C ATOM 646 CG TRP A 42 4.997 -14.208 -4.307 1.00 73.05 C ATOM 647 CD1 TRP A 42 6.027 -13.469 -3.798 1.00 55.51 C ATOM 648 CD2 TRP A 42 3.839 -13.876 -3.535 1.00 63.13 C ATOM 649 NE1 TRP A 42 5.577 -12.696 -2.753 1.00 41.21 N ATOM 650 CE2 TRP A 42 4.239 -12.927 -2.573 1.00 71.54 C ATOM 651 CE3 TRP A 42 2.503 -14.284 -3.563 1.00 23.42 C ATOM 652 CZ2 TRP A 42 3.350 -12.384 -1.649 1.00 54.54 C ATOM 653 CZ3 TRP A 42 1.623 -13.745 -2.644 1.00 35.41 C ATOM 654 CH2 TRP A 42 2.048 -12.803 -1.699 1.00 22.13 C ATOM 0 H TRP A 42 7.532 -16.843 -5.138 1.00 43.02 H new ATOM 0 HA TRP A 42 4.766 -16.930 -4.242 1.00 5.44 H new ATOM 0 HB2 TRP A 42 5.792 -14.817 -6.179 1.00 34.30 H new ATOM 0 HB3 TRP A 42 4.099 -15.209 -5.950 1.00 34.30 H new ATOM 0 HD1 TRP A 42 7.044 -13.489 -4.162 1.00 55.51 H new ATOM 0 HE1 TRP A 42 6.147 -12.055 -2.202 1.00 41.21 H new ATOM 0 HE3 TRP A 42 2.164 -15.008 -4.290 1.00 23.42 H new ATOM 0 HZ2 TRP A 42 3.676 -11.658 -0.919 1.00 54.54 H new ATOM 0 HZ3 TRP A 42 0.589 -14.056 -2.655 1.00 35.41 H new ATOM 0 HH2 TRP A 42 1.334 -12.399 -0.996 1.00 22.13 H new ATOM 665 N ILE A 43 4.151 -18.098 -6.405 1.00 22.22 N ATOM 666 CA ILE A 43 3.914 -19.024 -7.504 1.00 14.53 C ATOM 667 C ILE A 43 2.801 -18.522 -8.418 1.00 73.12 C ATOM 668 O ILE A 43 1.644 -18.426 -8.009 1.00 34.33 O ATOM 669 CB ILE A 43 3.545 -20.428 -6.989 1.00 20.41 C ATOM 670 CG1 ILE A 43 4.602 -20.927 -6.002 1.00 31.22 C ATOM 671 CG2 ILE A 43 3.397 -21.398 -8.152 1.00 31.11 C ATOM 672 CD1 ILE A 43 4.093 -21.055 -4.584 1.00 2.14 C ATOM 0 H ILE A 43 3.334 -17.919 -5.820 1.00 22.22 H new ATOM 0 HA ILE A 43 4.844 -19.086 -8.069 1.00 14.53 H new ATOM 0 HB ILE A 43 2.589 -20.368 -6.469 1.00 20.41 H new ATOM 0 HG12 ILE A 43 4.970 -21.897 -6.336 1.00 31.22 H new ATOM 0 HG13 ILE A 43 5.450 -20.243 -6.014 1.00 31.22 H new ATOM 0 HG21 ILE A 43 3.136 -22.385 -7.771 1.00 31.11 H new ATOM 0 HG22 ILE A 43 2.611 -21.047 -8.820 1.00 31.11 H new ATOM 0 HG23 ILE A 43 4.338 -21.457 -8.699 1.00 31.11 H new ATOM 0 HD11 ILE A 43 4.896 -21.414 -3.940 1.00 2.14 H new ATOM 0 HD12 ILE A 43 3.752 -20.082 -4.231 1.00 2.14 H new ATOM 0 HD13 ILE A 43 3.264 -21.762 -4.558 1.00 2.14 H new ATOM 684 N VAL A 44 3.159 -18.202 -9.658 1.00 32.54 N ATOM 685 CA VAL A 44 2.190 -17.713 -10.630 1.00 1.41 C ATOM 686 C VAL A 44 2.029 -18.691 -11.788 1.00 62.00 C ATOM 687 O VAL A 44 2.902 -18.797 -12.650 1.00 64.24 O ATOM 688 CB VAL A 44 2.602 -16.337 -11.189 1.00 75.11 C ATOM 689 CG1 VAL A 44 1.378 -15.557 -11.644 1.00 0.24 C ATOM 690 CG2 VAL A 44 3.387 -15.554 -10.148 1.00 14.24 C ATOM 0 H VAL A 44 4.113 -18.273 -10.012 1.00 32.54 H new ATOM 0 HA VAL A 44 1.239 -17.616 -10.106 1.00 1.41 H new ATOM 0 HB VAL A 44 3.245 -16.493 -12.055 1.00 75.11 H new ATOM 0 HG11 VAL A 44 1.689 -14.588 -12.036 1.00 0.24 H new ATOM 0 HG12 VAL A 44 0.861 -16.115 -12.424 1.00 0.24 H new ATOM 0 HG13 VAL A 44 0.706 -15.408 -10.798 1.00 0.24 H new ATOM 0 HG21 VAL A 44 3.670 -14.585 -10.559 1.00 14.24 H new ATOM 0 HG22 VAL A 44 2.769 -15.406 -9.262 1.00 14.24 H new ATOM 0 HG23 VAL A 44 4.285 -16.109 -9.876 1.00 14.24 H new ATOM 700 N ASP A 45 0.909 -19.405 -11.801 1.00 45.32 N ATOM 701 CA ASP A 45 0.633 -20.374 -12.855 1.00 21.31 C ATOM 702 C ASP A 45 -0.028 -19.701 -14.054 1.00 43.53 C ATOM 703 O ASP A 45 -0.712 -18.687 -13.910 1.00 12.42 O ATOM 704 CB ASP A 45 -0.263 -21.495 -12.324 1.00 64.12 C ATOM 705 CG ASP A 45 -1.297 -21.939 -13.340 1.00 63.33 C ATOM 706 OD1 ASP A 45 -1.054 -22.951 -14.031 1.00 21.05 O ATOM 707 OD2 ASP A 45 -2.350 -21.276 -13.442 1.00 51.12 O1- ATOM 0 H ASP A 45 0.178 -19.331 -11.094 1.00 45.32 H new ATOM 0 HA ASP A 45 1.582 -20.801 -13.180 1.00 21.31 H new ATOM 0 HB2 ASP A 45 0.355 -22.348 -12.042 1.00 64.12 H new ATOM 0 HB3 ASP A 45 -0.768 -21.155 -11.420 1.00 64.12 H new ATOM 712 N LEU A 46 0.178 -20.273 -15.235 1.00 52.01 N ATOM 713 CA LEU A 46 -0.397 -19.728 -16.460 1.00 33.22 C ATOM 714 C LEU A 46 -1.422 -20.688 -17.053 1.00 13.22 C ATOM 715 O LEU A 46 -2.170 -20.330 -17.964 1.00 72.41 O ATOM 716 CB LEU A 46 0.705 -19.444 -17.482 1.00 61.21 C ATOM 717 CG LEU A 46 1.911 -20.383 -17.446 1.00 13.54 C ATOM 718 CD1 LEU A 46 2.539 -20.500 -18.827 1.00 24.32 C ATOM 719 CD2 LEU A 46 2.936 -19.894 -16.433 1.00 32.43 C ATOM 0 H LEU A 46 0.739 -21.114 -15.370 1.00 52.01 H new ATOM 0 HA LEU A 46 -0.902 -18.794 -16.212 1.00 33.22 H new ATOM 0 HB2 LEU A 46 0.267 -19.485 -18.479 1.00 61.21 H new ATOM 0 HB3 LEU A 46 1.059 -18.424 -17.331 1.00 61.21 H new ATOM 0 HG LEU A 46 1.569 -21.372 -17.140 1.00 13.54 H new ATOM 0 HD11 LEU A 46 3.396 -21.172 -18.781 1.00 24.32 H new ATOM 0 HD12 LEU A 46 1.804 -20.895 -19.528 1.00 24.32 H new ATOM 0 HD13 LEU A 46 2.867 -19.516 -19.162 1.00 24.32 H new ATOM 0 HD21 LEU A 46 3.788 -20.574 -16.420 1.00 32.43 H new ATOM 0 HD22 LEU A 46 3.273 -18.895 -16.710 1.00 32.43 H new ATOM 0 HD23 LEU A 46 2.482 -19.862 -15.442 1.00 32.43 H new ATOM 731 N LYS A 47 -1.455 -21.909 -16.530 1.00 32.14 N ATOM 732 CA LYS A 47 -2.391 -22.921 -17.005 1.00 73.41 C ATOM 733 C LYS A 47 -3.824 -22.551 -16.638 1.00 25.15 C ATOM 734 O LYS A 47 -4.715 -22.564 -17.487 1.00 30.54 O ATOM 735 CB LYS A 47 -2.039 -24.288 -16.414 1.00 12.14 C ATOM 736 CG LYS A 47 -0.576 -24.663 -16.579 1.00 71.22 C ATOM 737 CD LYS A 47 -0.142 -25.684 -15.540 1.00 44.04 C ATOM 738 CE LYS A 47 1.270 -25.410 -15.047 1.00 52.41 C ATOM 739 NZ LYS A 47 1.770 -26.500 -14.163 1.00 64.34 N1+ ATOM 0 H LYS A 47 -0.843 -22.222 -15.776 1.00 32.14 H new ATOM 0 HA LYS A 47 -2.314 -22.971 -18.091 1.00 73.41 H new ATOM 0 HB2 LYS A 47 -2.289 -24.291 -15.353 1.00 12.14 H new ATOM 0 HB3 LYS A 47 -2.657 -25.050 -16.889 1.00 12.14 H new ATOM 0 HG2 LYS A 47 -0.413 -25.067 -17.578 1.00 71.22 H new ATOM 0 HG3 LYS A 47 0.042 -23.769 -16.493 1.00 71.22 H new ATOM 0 HD2 LYS A 47 -0.833 -25.664 -14.697 1.00 44.04 H new ATOM 0 HD3 LYS A 47 -0.191 -26.685 -15.969 1.00 44.04 H new ATOM 0 HE2 LYS A 47 1.938 -25.300 -15.901 1.00 52.41 H new ATOM 0 HE3 LYS A 47 1.288 -24.465 -14.504 1.00 52.41 H new ATOM 0 HZ1 LYS A 47 2.810 -26.486 -14.149 1.00 64.34 H new ATOM 0 HZ2 LYS A 47 1.408 -26.358 -13.198 1.00 64.34 H new ATOM 0 HZ3 LYS A 47 1.441 -27.418 -14.524 1.00 64.34 H new ATOM 753 N GLN A 48 -4.039 -22.220 -15.369 1.00 45.21 N ATOM 754 CA GLN A 48 -5.365 -21.845 -14.890 1.00 10.22 C ATOM 755 C GLN A 48 -5.411 -20.367 -14.518 1.00 4.23 C ATOM 756 O GLN A 48 -6.440 -19.862 -14.065 1.00 2.01 O ATOM 757 CB GLN A 48 -5.755 -22.700 -13.683 1.00 63.24 C ATOM 758 CG GLN A 48 -5.772 -24.192 -13.974 1.00 72.31 C ATOM 759 CD GLN A 48 -6.281 -25.008 -12.803 1.00 33.43 C ATOM 760 OE1 GLN A 48 -7.477 -25.284 -12.697 1.00 25.31 O ATOM 761 NE2 GLN A 48 -5.375 -25.403 -11.917 1.00 43.10 N ATOM 0 H GLN A 48 -3.312 -22.204 -14.654 1.00 45.21 H new ATOM 0 HA GLN A 48 -6.078 -22.020 -15.696 1.00 10.22 H new ATOM 0 HB2 GLN A 48 -5.056 -22.505 -12.869 1.00 63.24 H new ATOM 0 HB3 GLN A 48 -6.742 -22.395 -13.336 1.00 63.24 H new ATOM 0 HG2 GLN A 48 -6.400 -24.382 -14.845 1.00 72.31 H new ATOM 0 HG3 GLN A 48 -4.765 -24.520 -14.230 1.00 72.31 H new ATOM 0 HE21 GLN A 48 -4.395 -25.152 -12.044 1.00 43.10 H new ATOM 0 HE22 GLN A 48 -5.659 -25.958 -11.110 1.00 43.10 H new ATOM 770 N LEU A 49 -4.293 -19.677 -14.712 1.00 40.44 N ATOM 771 CA LEU A 49 -4.206 -18.256 -14.397 1.00 12.54 C ATOM 772 C LEU A 49 -4.504 -18.006 -12.922 1.00 71.02 C ATOM 773 O LEU A 49 -5.573 -17.509 -12.569 1.00 2.15 O ATOM 774 CB LEU A 49 -5.179 -17.459 -15.268 1.00 75.10 C ATOM 775 CG LEU A 49 -4.693 -17.117 -16.676 1.00 14.43 C ATOM 776 CD1 LEU A 49 -3.401 -16.317 -16.615 1.00 31.41 C ATOM 777 CD2 LEU A 49 -4.501 -18.383 -17.497 1.00 22.10 C ATOM 0 H LEU A 49 -3.433 -20.079 -15.086 1.00 40.44 H new ATOM 0 HA LEU A 49 -3.188 -17.925 -14.604 1.00 12.54 H new ATOM 0 HB2 LEU A 49 -6.107 -18.025 -15.353 1.00 75.10 H new ATOM 0 HB3 LEU A 49 -5.419 -16.529 -14.752 1.00 75.10 H new ATOM 0 HG LEU A 49 -5.452 -16.505 -17.163 1.00 14.43 H new ATOM 0 HD11 LEU A 49 -3.070 -16.083 -17.627 1.00 31.41 H new ATOM 0 HD12 LEU A 49 -3.572 -15.391 -16.065 1.00 31.41 H new ATOM 0 HD13 LEU A 49 -2.634 -16.903 -16.109 1.00 31.41 H new ATOM 0 HD21 LEU A 49 -4.155 -18.120 -18.496 1.00 22.10 H new ATOM 0 HD22 LEU A 49 -3.762 -19.022 -17.013 1.00 22.10 H new ATOM 0 HD23 LEU A 49 -5.449 -18.916 -17.570 1.00 22.10 H new ATOM 789 N LYS A 50 -3.550 -18.353 -12.064 1.00 54.03 N ATOM 790 CA LYS A 50 -3.709 -18.163 -10.627 1.00 73.12 C ATOM 791 C LYS A 50 -2.395 -17.722 -9.988 1.00 13.13 C ATOM 792 O LYS A 50 -1.367 -17.632 -10.659 1.00 33.05 O ATOM 793 CB LYS A 50 -4.196 -19.458 -9.972 1.00 23.41 C ATOM 794 CG LYS A 50 -3.383 -20.680 -10.361 1.00 12.24 C ATOM 795 CD LYS A 50 -3.990 -21.956 -9.801 1.00 71.24 C ATOM 796 CE LYS A 50 -3.182 -22.487 -8.626 1.00 14.43 C ATOM 797 NZ LYS A 50 -3.670 -23.820 -8.177 1.00 41.23 N1+ ATOM 0 H LYS A 50 -2.659 -18.767 -12.339 1.00 54.03 H new ATOM 0 HA LYS A 50 -4.451 -17.380 -10.469 1.00 73.12 H new ATOM 0 HB2 LYS A 50 -4.165 -19.341 -8.889 1.00 23.41 H new ATOM 0 HB3 LYS A 50 -5.238 -19.624 -10.245 1.00 23.41 H new ATOM 0 HG2 LYS A 50 -3.326 -20.749 -11.447 1.00 12.24 H new ATOM 0 HG3 LYS A 50 -2.362 -20.571 -9.995 1.00 12.24 H new ATOM 0 HD2 LYS A 50 -5.015 -21.764 -9.483 1.00 71.24 H new ATOM 0 HD3 LYS A 50 -4.036 -22.713 -10.584 1.00 71.24 H new ATOM 0 HE2 LYS A 50 -2.132 -22.561 -8.911 1.00 14.43 H new ATOM 0 HE3 LYS A 50 -3.239 -21.781 -7.797 1.00 14.43 H new ATOM 0 HZ1 LYS A 50 -3.095 -24.148 -7.375 1.00 41.23 H new ATOM 0 HZ2 LYS A 50 -4.664 -23.744 -7.882 1.00 41.23 H new ATOM 0 HZ3 LYS A 50 -3.592 -24.500 -8.960 1.00 41.23 H new ATOM 811 N VAL A 51 -2.437 -17.447 -8.688 1.00 11.01 N ATOM 812 CA VAL A 51 -1.250 -17.017 -7.960 1.00 51.13 C ATOM 813 C VAL A 51 -1.283 -17.508 -6.517 1.00 24.24 C ATOM 814 O VAL A 51 -2.336 -17.522 -5.879 1.00 11.33 O ATOM 815 CB VAL A 51 -1.114 -15.482 -7.965 1.00 74.54 C ATOM 816 CG1 VAL A 51 -2.428 -14.828 -7.568 1.00 60.22 C ATOM 817 CG2 VAL A 51 0.011 -15.045 -7.039 1.00 51.31 C ATOM 0 H VAL A 51 -3.280 -17.514 -8.118 1.00 11.01 H new ATOM 0 HA VAL A 51 -0.391 -17.452 -8.470 1.00 51.13 H new ATOM 0 HB VAL A 51 -0.867 -15.159 -8.976 1.00 74.54 H new ATOM 0 HG11 VAL A 51 -2.312 -13.744 -7.577 1.00 60.22 H new ATOM 0 HG12 VAL A 51 -3.206 -15.116 -8.275 1.00 60.22 H new ATOM 0 HG13 VAL A 51 -2.709 -15.154 -6.567 1.00 60.22 H new ATOM 0 HG21 VAL A 51 0.093 -13.958 -7.054 1.00 51.31 H new ATOM 0 HG22 VAL A 51 -0.203 -15.378 -6.024 1.00 51.31 H new ATOM 0 HG23 VAL A 51 0.950 -15.485 -7.375 1.00 51.31 H new ATOM 827 N ASP A 52 -0.124 -17.912 -6.008 1.00 34.02 N ATOM 828 CA ASP A 52 -0.019 -18.403 -4.640 1.00 10.05 C ATOM 829 C ASP A 52 1.280 -17.934 -3.992 1.00 41.12 C ATOM 830 O ASP A 52 2.169 -17.414 -4.668 1.00 32.23 O ATOM 831 CB ASP A 52 -0.092 -19.930 -4.616 1.00 62.44 C ATOM 832 CG ASP A 52 -1.202 -20.470 -5.496 1.00 53.22 C ATOM 833 OD1 ASP A 52 -0.931 -20.773 -6.677 1.00 40.15 O ATOM 834 OD2 ASP A 52 -2.344 -20.590 -5.004 1.00 41.01 O1- ATOM 0 H ASP A 52 0.756 -17.909 -6.523 1.00 34.02 H new ATOM 0 HA ASP A 52 -0.855 -17.998 -4.070 1.00 10.05 H new ATOM 0 HB2 ASP A 52 0.862 -20.342 -4.946 1.00 62.44 H new ATOM 0 HB3 ASP A 52 -0.248 -20.267 -3.591 1.00 62.44 H new ATOM 839 N GLN A 53 1.383 -18.120 -2.681 1.00 45.12 N ATOM 840 CA GLN A 53 2.573 -17.714 -1.942 1.00 63.05 C ATOM 841 C GLN A 53 3.566 -18.866 -1.834 1.00 31.52 C ATOM 842 O GLN A 53 3.209 -20.027 -2.029 1.00 43.42 O ATOM 843 CB GLN A 53 2.189 -17.223 -0.545 1.00 21.35 C ATOM 844 CG GLN A 53 1.950 -18.346 0.450 1.00 51.34 C ATOM 845 CD GLN A 53 0.690 -19.134 0.149 1.00 13.11 C ATOM 846 OE1 GLN A 53 -0.375 -18.857 0.701 1.00 31.44 O ATOM 847 NE2 GLN A 53 0.805 -20.121 -0.731 1.00 1.42 N ATOM 0 H GLN A 53 0.657 -18.549 -2.108 1.00 45.12 H new ATOM 0 HA GLN A 53 3.048 -16.899 -2.488 1.00 63.05 H new ATOM 0 HB2 GLN A 53 2.980 -16.576 -0.166 1.00 21.35 H new ATOM 0 HB3 GLN A 53 1.287 -16.615 -0.618 1.00 21.35 H new ATOM 0 HG2 GLN A 53 2.806 -19.021 0.443 1.00 51.34 H new ATOM 0 HG3 GLN A 53 1.881 -17.928 1.454 1.00 51.34 H new ATOM 0 HE21 GLN A 53 1.708 -20.315 -1.164 1.00 1.42 H new ATOM 0 HE22 GLN A 53 -0.009 -20.685 -0.974 1.00 1.42 H new ATOM 856 N GLY A 54 4.817 -18.537 -1.522 1.00 60.23 N ATOM 857 CA GLY A 54 5.842 -19.555 -1.394 1.00 32.11 C ATOM 858 C GLY A 54 6.457 -19.929 -2.728 1.00 61.12 C ATOM 859 O GLY A 54 6.369 -19.172 -3.695 1.00 34.53 O ATOM 0 H GLY A 54 5.138 -17.583 -1.356 1.00 60.23 H new ATOM 0 HA2 GLY A 54 6.624 -19.197 -0.725 1.00 32.11 H new ATOM 0 HA3 GLY A 54 5.411 -20.444 -0.934 1.00 32.11 H new ATOM 863 N VAL A 55 7.084 -21.100 -2.781 1.00 63.32 N ATOM 864 CA VAL A 55 7.718 -21.573 -4.007 1.00 0.23 C ATOM 865 C VAL A 55 7.057 -22.852 -4.509 1.00 31.05 C ATOM 866 O VAL A 55 6.596 -23.676 -3.719 1.00 13.53 O ATOM 867 CB VAL A 55 9.221 -21.834 -3.797 1.00 42.13 C ATOM 868 CG1 VAL A 55 9.437 -22.868 -2.701 1.00 35.12 C ATOM 869 CG2 VAL A 55 9.871 -22.280 -5.097 1.00 61.54 C ATOM 0 H VAL A 55 7.167 -21.739 -1.990 1.00 63.32 H new ATOM 0 HA VAL A 55 7.594 -20.786 -4.751 1.00 0.23 H new ATOM 0 HB VAL A 55 9.692 -20.903 -3.482 1.00 42.13 H new ATOM 0 HG11 VAL A 55 10.505 -23.039 -2.567 1.00 35.12 H new ATOM 0 HG12 VAL A 55 9.008 -22.504 -1.767 1.00 35.12 H new ATOM 0 HG13 VAL A 55 8.952 -23.803 -2.982 1.00 35.12 H new ATOM 0 HG21 VAL A 55 10.933 -22.460 -4.930 1.00 61.54 H new ATOM 0 HG22 VAL A 55 9.398 -23.198 -5.444 1.00 61.54 H new ATOM 0 HG23 VAL A 55 9.749 -21.502 -5.850 1.00 61.54 H new ATOM 879 N PHE A 56 7.015 -23.011 -5.827 1.00 21.01 N ATOM 880 CA PHE A 56 6.410 -24.190 -6.436 1.00 21.13 C ATOM 881 C PHE A 56 7.370 -25.376 -6.397 1.00 72.32 C ATOM 882 O PHE A 56 8.585 -25.201 -6.310 1.00 54.15 O ATOM 883 CB PHE A 56 6.007 -23.893 -7.882 1.00 15.22 C ATOM 884 CG PHE A 56 5.144 -24.959 -8.494 1.00 13.30 C ATOM 885 CD1 PHE A 56 5.501 -25.556 -9.692 1.00 53.50 C ATOM 886 CD2 PHE A 56 3.974 -25.364 -7.871 1.00 11.02 C ATOM 887 CE1 PHE A 56 4.709 -26.536 -10.258 1.00 22.55 C ATOM 888 CE2 PHE A 56 3.178 -26.346 -8.432 1.00 40.34 C ATOM 889 CZ PHE A 56 3.545 -26.931 -9.628 1.00 32.22 C ATOM 0 H PHE A 56 7.393 -22.338 -6.494 1.00 21.01 H new ATOM 0 HA PHE A 56 5.519 -24.447 -5.863 1.00 21.13 H new ATOM 0 HB2 PHE A 56 5.475 -22.942 -7.915 1.00 15.22 H new ATOM 0 HB3 PHE A 56 6.907 -23.775 -8.485 1.00 15.22 H new ATOM 0 HD1 PHE A 56 6.410 -25.251 -10.190 1.00 53.50 H new ATOM 0 HD2 PHE A 56 3.681 -24.908 -6.937 1.00 11.02 H new ATOM 0 HE1 PHE A 56 5.000 -26.993 -11.192 1.00 22.55 H new ATOM 0 HE2 PHE A 56 2.270 -26.655 -7.935 1.00 40.34 H new ATOM 0 HZ PHE A 56 2.923 -27.696 -10.070 1.00 32.22 H new ATOM 899 N ALA A 57 6.815 -26.581 -6.462 1.00 32.10 N ATOM 900 CA ALA A 57 7.621 -27.796 -6.436 1.00 4.40 C ATOM 901 C ALA A 57 8.733 -27.739 -7.477 1.00 45.14 C ATOM 902 O ALA A 57 9.827 -28.260 -7.259 1.00 5.11 O ATOM 903 CB ALA A 57 6.742 -29.017 -6.665 1.00 15.14 C ATOM 0 H ALA A 57 5.810 -26.743 -6.533 1.00 32.10 H new ATOM 0 HA ALA A 57 8.084 -27.875 -5.452 1.00 4.40 H new ATOM 0 HB1 ALA A 57 7.357 -29.917 -6.643 1.00 15.14 H new ATOM 0 HB2 ALA A 57 5.987 -29.074 -5.881 1.00 15.14 H new ATOM 0 HB3 ALA A 57 6.252 -28.936 -7.635 1.00 15.14 H new ATOM 909 N SER A 58 8.447 -27.104 -8.609 1.00 54.32 N ATOM 910 CA SER A 58 9.423 -26.983 -9.685 1.00 12.25 C ATOM 911 C SER A 58 8.849 -26.182 -10.850 1.00 23.03 C ATOM 912 O SER A 58 8.363 -26.734 -11.837 1.00 74.33 O ATOM 913 CB SER A 58 9.854 -28.369 -10.169 1.00 24.15 C ATOM 914 OG SER A 58 10.428 -28.302 -11.463 1.00 63.33 O ATOM 0 H SER A 58 7.547 -26.665 -8.805 1.00 54.32 H new ATOM 0 HA SER A 58 10.293 -26.455 -9.296 1.00 12.25 H new ATOM 0 HB2 SER A 58 10.574 -28.794 -9.470 1.00 24.15 H new ATOM 0 HB3 SER A 58 8.992 -29.036 -10.184 1.00 24.15 H new ATOM 0 HG SER A 58 9.736 -28.065 -12.116 1.00 63.33 H new ATOM 920 N PRO A 59 8.909 -24.847 -10.734 1.00 64.12 N ATOM 921 CA PRO A 59 8.401 -23.939 -11.769 1.00 73.32 C ATOM 922 C PRO A 59 9.254 -23.966 -13.032 1.00 23.22 C ATOM 923 O PRO A 59 10.479 -24.054 -12.964 1.00 4.44 O ATOM 924 CB PRO A 59 8.477 -22.564 -11.101 1.00 61.42 C ATOM 925 CG PRO A 59 9.547 -22.699 -10.074 1.00 4.13 C ATOM 926 CD PRO A 59 9.476 -24.121 -9.586 1.00 10.03 C ATOM 0 HA PRO A 59 7.399 -24.214 -12.097 1.00 73.32 H new ATOM 0 HB2 PRO A 59 8.719 -21.786 -11.825 1.00 61.42 H new ATOM 0 HB3 PRO A 59 7.524 -22.292 -10.646 1.00 61.42 H new ATOM 0 HG2 PRO A 59 10.526 -22.481 -10.500 1.00 4.13 H new ATOM 0 HG3 PRO A 59 9.392 -21.997 -9.255 1.00 4.13 H new ATOM 0 HD2 PRO A 59 10.460 -24.503 -9.316 1.00 10.03 H new ATOM 0 HD3 PRO A 59 8.845 -24.211 -8.702 1.00 10.03 H new ATOM 934 N ASP A 60 8.598 -23.889 -14.184 1.00 20.31 N ATOM 935 CA ASP A 60 9.296 -23.902 -15.465 1.00 71.05 C ATOM 936 C ASP A 60 10.223 -22.697 -15.591 1.00 72.31 C ATOM 937 O ASP A 60 11.149 -22.694 -16.401 1.00 5.43 O ATOM 938 CB ASP A 60 8.292 -23.911 -16.618 1.00 60.31 C ATOM 939 CG ASP A 60 8.383 -25.172 -17.454 1.00 74.41 C ATOM 940 OD1 ASP A 60 7.795 -26.197 -17.049 1.00 62.40 O ATOM 941 OD2 ASP A 60 9.040 -25.134 -18.515 1.00 72.43 O1- ATOM 0 H ASP A 60 7.583 -23.817 -14.258 1.00 20.31 H new ATOM 0 HA ASP A 60 9.899 -24.809 -15.512 1.00 71.05 H new ATOM 0 HB2 ASP A 60 7.283 -23.816 -16.218 1.00 60.31 H new ATOM 0 HB3 ASP A 60 8.466 -23.043 -17.254 1.00 60.31 H new ATOM 946 N VAL A 61 9.966 -21.672 -14.784 1.00 23.13 N ATOM 947 CA VAL A 61 10.777 -20.460 -14.804 1.00 4.42 C ATOM 948 C VAL A 61 10.826 -19.808 -13.427 1.00 2.01 C ATOM 949 O VAL A 61 9.858 -19.861 -12.667 1.00 3.25 O ATOM 950 CB VAL A 61 10.236 -19.440 -15.824 1.00 33.32 C ATOM 951 CG1 VAL A 61 11.002 -18.131 -15.727 1.00 0.55 C ATOM 952 CG2 VAL A 61 10.310 -20.008 -17.234 1.00 33.43 C ATOM 0 H VAL A 61 9.202 -21.657 -14.108 1.00 23.13 H new ATOM 0 HA VAL A 61 11.784 -20.758 -15.097 1.00 4.42 H new ATOM 0 HB VAL A 61 9.190 -19.239 -15.592 1.00 33.32 H new ATOM 0 HG11 VAL A 61 10.606 -17.423 -16.455 1.00 0.55 H new ATOM 0 HG12 VAL A 61 10.893 -17.719 -14.724 1.00 0.55 H new ATOM 0 HG13 VAL A 61 12.057 -18.311 -15.933 1.00 0.55 H new ATOM 0 HG21 VAL A 61 9.924 -19.275 -17.942 1.00 33.43 H new ATOM 0 HG22 VAL A 61 11.347 -20.239 -17.479 1.00 33.43 H new ATOM 0 HG23 VAL A 61 9.712 -20.918 -17.292 1.00 33.43 H new ATOM 962 N THR A 62 11.959 -19.190 -13.111 1.00 50.24 N ATOM 963 CA THR A 62 12.135 -18.527 -11.825 1.00 14.23 C ATOM 964 C THR A 62 12.453 -17.047 -12.009 1.00 31.34 C ATOM 965 O THR A 62 13.560 -16.685 -12.408 1.00 52.43 O ATOM 966 CB THR A 62 13.260 -19.184 -11.003 1.00 64.24 C ATOM 967 OG1 THR A 62 13.793 -20.308 -11.713 1.00 4.13 O ATOM 968 CG2 THR A 62 12.746 -19.634 -9.644 1.00 53.40 C ATOM 0 H THR A 62 12.769 -19.135 -13.728 1.00 50.24 H new ATOM 0 HA THR A 62 11.194 -18.630 -11.285 1.00 14.23 H new ATOM 0 HB THR A 62 14.046 -18.445 -10.850 1.00 64.24 H new ATOM 0 HG1 THR A 62 14.032 -20.036 -12.624 1.00 4.13 H new ATOM 0 HG21 THR A 62 13.558 -20.095 -9.082 1.00 53.40 H new ATOM 0 HG22 THR A 62 12.368 -18.772 -9.094 1.00 53.40 H new ATOM 0 HG23 THR A 62 11.943 -20.358 -9.780 1.00 53.40 H new ATOM 976 N VAL A 63 11.477 -16.197 -11.712 1.00 71.42 N ATOM 977 CA VAL A 63 11.654 -14.754 -11.843 1.00 52.44 C ATOM 978 C VAL A 63 12.251 -14.157 -10.574 1.00 12.25 C ATOM 979 O VAL A 63 11.783 -14.425 -9.466 1.00 15.12 O ATOM 980 CB VAL A 63 10.317 -14.051 -12.148 1.00 74.33 C ATOM 981 CG1 VAL A 63 10.543 -12.571 -12.415 1.00 23.22 C ATOM 982 CG2 VAL A 63 9.625 -14.714 -13.329 1.00 54.53 C ATOM 0 H VAL A 63 10.556 -16.481 -11.379 1.00 71.42 H new ATOM 0 HA VAL A 63 12.340 -14.592 -12.675 1.00 52.44 H new ATOM 0 HB VAL A 63 9.669 -14.145 -11.277 1.00 74.33 H new ATOM 0 HG11 VAL A 63 9.589 -12.090 -12.629 1.00 23.22 H new ATOM 0 HG12 VAL A 63 10.995 -12.108 -11.538 1.00 23.22 H new ATOM 0 HG13 VAL A 63 11.208 -12.453 -13.270 1.00 23.22 H new ATOM 0 HG21 VAL A 63 8.682 -14.205 -13.531 1.00 54.53 H new ATOM 0 HG22 VAL A 63 10.266 -14.652 -14.208 1.00 54.53 H new ATOM 0 HG23 VAL A 63 9.430 -15.761 -13.096 1.00 54.53 H new ATOM 992 N THR A 64 13.290 -13.344 -10.742 1.00 21.22 N ATOM 993 CA THR A 64 13.954 -12.709 -9.610 1.00 44.01 C ATOM 994 C THR A 64 13.939 -11.191 -9.747 1.00 25.10 C ATOM 995 O THR A 64 14.655 -10.625 -10.572 1.00 72.04 O ATOM 996 CB THR A 64 15.411 -13.187 -9.473 1.00 34.33 C ATOM 997 OG1 THR A 64 15.711 -14.143 -10.495 1.00 1.35 O ATOM 998 CG2 THR A 64 15.651 -13.808 -8.105 1.00 73.53 C ATOM 0 H THR A 64 13.689 -13.110 -11.651 1.00 21.22 H new ATOM 0 HA THR A 64 13.401 -12.996 -8.716 1.00 44.01 H new ATOM 0 HB THR A 64 16.065 -12.322 -9.582 1.00 34.33 H new ATOM 0 HG1 THR A 64 16.579 -14.558 -10.310 1.00 1.35 H new ATOM 0 HG21 THR A 64 16.687 -14.138 -8.032 1.00 73.53 H new ATOM 0 HG22 THR A 64 15.450 -13.069 -7.330 1.00 73.53 H new ATOM 0 HG23 THR A 64 14.988 -14.663 -7.972 1.00 73.53 H new ATOM 1006 N VAL A 65 13.119 -10.536 -8.930 1.00 24.10 N ATOM 1007 CA VAL A 65 13.012 -9.082 -8.959 1.00 44.40 C ATOM 1008 C VAL A 65 13.033 -8.502 -7.549 1.00 72.43 C ATOM 1009 O VAL A 65 12.509 -9.102 -6.612 1.00 51.43 O ATOM 1010 CB VAL A 65 11.724 -8.628 -9.670 1.00 33.51 C ATOM 1011 CG1 VAL A 65 10.497 -9.071 -8.890 1.00 53.11 C ATOM 1012 CG2 VAL A 65 11.727 -7.118 -9.863 1.00 61.51 C ATOM 0 H VAL A 65 12.520 -10.989 -8.240 1.00 24.10 H new ATOM 0 HA VAL A 65 13.874 -8.712 -9.514 1.00 44.40 H new ATOM 0 HB VAL A 65 11.688 -9.098 -10.653 1.00 33.51 H new ATOM 0 HG11 VAL A 65 9.597 -8.741 -9.409 1.00 53.11 H new ATOM 0 HG12 VAL A 65 10.490 -10.158 -8.809 1.00 53.11 H new ATOM 0 HG13 VAL A 65 10.522 -8.633 -7.892 1.00 53.11 H new ATOM 0 HG21 VAL A 65 10.810 -6.814 -10.367 1.00 61.51 H new ATOM 0 HG22 VAL A 65 11.787 -6.627 -8.892 1.00 61.51 H new ATOM 0 HG23 VAL A 65 12.586 -6.830 -10.469 1.00 61.51 H new ATOM 1022 N GLY A 66 13.642 -7.329 -7.407 1.00 71.14 N ATOM 1023 CA GLY A 66 13.719 -6.686 -6.108 1.00 41.23 C ATOM 1024 C GLY A 66 12.470 -5.892 -5.779 1.00 23.54 C ATOM 1025 O GLY A 66 11.634 -5.646 -6.650 1.00 73.14 O ATOM 0 H GLY A 66 14.083 -6.813 -8.168 1.00 71.14 H new ATOM 0 HA2 GLY A 66 13.877 -7.443 -5.340 1.00 41.23 H new ATOM 0 HA3 GLY A 66 14.584 -6.023 -6.085 1.00 41.23 H new ATOM 1029 N LEU A 67 12.340 -5.491 -4.518 1.00 13.24 N ATOM 1030 CA LEU A 67 11.183 -4.722 -4.075 1.00 45.22 C ATOM 1031 C LEU A 67 11.063 -3.419 -4.860 1.00 21.23 C ATOM 1032 O LEU A 67 10.076 -3.195 -5.559 1.00 45.23 O ATOM 1033 CB LEU A 67 11.288 -4.422 -2.578 1.00 52.23 C ATOM 1034 CG LEU A 67 9.964 -4.221 -1.840 1.00 43.21 C ATOM 1035 CD1 LEU A 67 9.273 -5.555 -1.612 1.00 15.22 C ATOM 1036 CD2 LEU A 67 10.196 -3.505 -0.517 1.00 21.12 C ATOM 0 H LEU A 67 13.022 -5.686 -3.785 1.00 13.24 H new ATOM 0 HA LEU A 67 10.289 -5.318 -4.258 1.00 45.22 H new ATOM 0 HB2 LEU A 67 11.827 -5.241 -2.101 1.00 52.23 H new ATOM 0 HB3 LEU A 67 11.893 -3.524 -2.449 1.00 52.23 H new ATOM 0 HG LEU A 67 9.315 -3.600 -2.458 1.00 43.21 H new ATOM 0 HD11 LEU A 67 8.333 -5.392 -1.086 1.00 15.22 H new ATOM 0 HD12 LEU A 67 9.074 -6.030 -2.572 1.00 15.22 H new ATOM 0 HD13 LEU A 67 9.916 -6.201 -1.014 1.00 15.22 H new ATOM 0 HD21 LEU A 67 9.244 -3.370 -0.004 1.00 21.12 H new ATOM 0 HD22 LEU A 67 10.863 -4.100 0.107 1.00 21.12 H new ATOM 0 HD23 LEU A 67 10.648 -2.531 -0.705 1.00 21.12 H new ATOM 1048 N GLU A 68 12.075 -2.566 -4.739 1.00 23.10 N ATOM 1049 CA GLU A 68 12.082 -1.287 -5.438 1.00 24.34 C ATOM 1050 C GLU A 68 11.752 -1.473 -6.917 1.00 61.31 C ATOM 1051 O GLU A 68 11.136 -0.608 -7.540 1.00 21.23 O ATOM 1052 CB GLU A 68 13.445 -0.606 -5.290 1.00 2.03 C ATOM 1053 CG GLU A 68 13.852 -0.366 -3.846 1.00 62.33 C ATOM 1054 CD GLU A 68 14.455 1.009 -3.632 1.00 54.24 C ATOM 1055 OE1 GLU A 68 14.388 1.514 -2.491 1.00 72.13 O ATOM 1056 OE2 GLU A 68 14.995 1.579 -4.603 1.00 60.41 O1- ATOM 0 H GLU A 68 12.900 -2.737 -4.164 1.00 23.10 H new ATOM 0 HA GLU A 68 11.317 -0.653 -4.989 1.00 24.34 H new ATOM 0 HB2 GLU A 68 14.203 -1.221 -5.775 1.00 2.03 H new ATOM 0 HB3 GLU A 68 13.424 0.348 -5.816 1.00 2.03 H new ATOM 0 HG2 GLU A 68 12.980 -0.481 -3.202 1.00 62.33 H new ATOM 0 HG3 GLU A 68 14.573 -1.126 -3.544 1.00 62.33 H new ATOM 1063 N ASP A 69 12.167 -2.606 -7.471 1.00 20.45 N ATOM 1064 CA ASP A 69 11.916 -2.908 -8.875 1.00 42.22 C ATOM 1065 C ASP A 69 10.431 -3.150 -9.122 1.00 43.43 C ATOM 1066 O ASP A 69 9.857 -2.625 -10.075 1.00 14.14 O ATOM 1067 CB ASP A 69 12.725 -4.131 -9.310 1.00 71.20 C ATOM 1068 CG ASP A 69 14.220 -3.887 -9.254 1.00 61.35 C ATOM 1069 OD1 ASP A 69 14.988 -4.854 -9.446 1.00 51.33 O ATOM 1070 OD2 ASP A 69 14.623 -2.728 -9.019 1.00 23.21 O1- ATOM 0 H ASP A 69 12.679 -3.331 -6.969 1.00 20.45 H new ATOM 0 HA ASP A 69 12.229 -2.048 -9.467 1.00 42.22 H new ATOM 0 HB2 ASP A 69 12.474 -4.976 -8.669 1.00 71.20 H new ATOM 0 HB3 ASP A 69 12.443 -4.407 -10.326 1.00 71.20 H new ATOM 1075 N MET A 70 9.816 -3.950 -8.258 1.00 54.02 N ATOM 1076 CA MET A 70 8.397 -4.263 -8.382 1.00 40.11 C ATOM 1077 C MET A 70 7.542 -3.038 -8.074 1.00 33.44 C ATOM 1078 O MET A 70 6.634 -2.695 -8.833 1.00 2.01 O ATOM 1079 CB MET A 70 8.022 -5.410 -7.443 1.00 64.44 C ATOM 1080 CG MET A 70 8.182 -6.786 -8.070 1.00 53.12 C ATOM 1081 SD MET A 70 6.799 -7.882 -7.705 1.00 44.35 S ATOM 1082 CE MET A 70 6.557 -8.664 -9.298 1.00 74.02 C ATOM 0 H MET A 70 10.278 -4.394 -7.464 1.00 54.02 H new ATOM 0 HA MET A 70 8.206 -4.569 -9.411 1.00 40.11 H new ATOM 0 HB2 MET A 70 8.642 -5.353 -6.548 1.00 64.44 H new ATOM 0 HB3 MET A 70 6.988 -5.284 -7.123 1.00 64.44 H new ATOM 0 HG2 MET A 70 8.280 -6.679 -9.150 1.00 53.12 H new ATOM 0 HG3 MET A 70 9.105 -7.240 -7.709 1.00 53.12 H new ATOM 0 HE1 MET A 70 5.638 -9.250 -9.280 1.00 74.02 H new ATOM 0 HE2 MET A 70 6.485 -7.899 -10.071 1.00 74.02 H new ATOM 0 HE3 MET A 70 7.401 -9.319 -9.514 1.00 74.02 H new ATOM 1092 N LEU A 71 7.836 -2.382 -6.956 1.00 4.41 N ATOM 1093 CA LEU A 71 7.093 -1.195 -6.548 1.00 52.32 C ATOM 1094 C LEU A 71 7.061 -0.161 -7.669 1.00 50.24 C ATOM 1095 O LEU A 71 6.042 0.494 -7.893 1.00 51.41 O ATOM 1096 CB LEU A 71 7.721 -0.584 -5.293 1.00 73.33 C ATOM 1097 CG LEU A 71 7.945 -1.539 -4.122 1.00 72.22 C ATOM 1098 CD1 LEU A 71 9.141 -1.097 -3.294 1.00 1.03 C ATOM 1099 CD2 LEU A 71 6.697 -1.625 -3.256 1.00 30.51 C ATOM 0 H LEU A 71 8.583 -2.652 -6.317 1.00 4.41 H new ATOM 0 HA LEU A 71 6.069 -1.495 -6.326 1.00 52.32 H new ATOM 0 HB2 LEU A 71 8.681 -0.146 -5.568 1.00 73.33 H new ATOM 0 HB3 LEU A 71 7.084 0.233 -4.953 1.00 73.33 H new ATOM 0 HG LEU A 71 8.153 -2.531 -4.523 1.00 72.22 H new ATOM 0 HD11 LEU A 71 9.285 -1.789 -2.464 1.00 1.03 H new ATOM 0 HD12 LEU A 71 10.034 -1.089 -3.919 1.00 1.03 H new ATOM 0 HD13 LEU A 71 8.963 -0.095 -2.904 1.00 1.03 H new ATOM 0 HD21 LEU A 71 6.876 -2.310 -2.427 1.00 30.51 H new ATOM 0 HD22 LEU A 71 6.457 -0.636 -2.865 1.00 30.51 H new ATOM 0 HD23 LEU A 71 5.863 -1.990 -3.855 1.00 30.51 H new ATOM 1111 N ALA A 72 8.179 -0.021 -8.372 1.00 72.12 N ATOM 1112 CA ALA A 72 8.277 0.930 -9.472 1.00 10.33 C ATOM 1113 C ALA A 72 7.209 0.661 -10.526 1.00 3.31 C ATOM 1114 O ALA A 72 6.611 1.591 -11.068 1.00 20.22 O ATOM 1115 CB ALA A 72 9.663 0.873 -10.097 1.00 1.25 C ATOM 0 H ALA A 72 9.031 -0.555 -8.199 1.00 72.12 H new ATOM 0 HA ALA A 72 8.112 1.930 -9.071 1.00 10.33 H new ATOM 0 HB1 ALA A 72 9.722 1.588 -10.917 1.00 1.25 H new ATOM 0 HB2 ALA A 72 10.412 1.121 -9.345 1.00 1.25 H new ATOM 0 HB3 ALA A 72 9.850 -0.131 -10.477 1.00 1.25 H new ATOM 1121 N ILE A 73 6.973 -0.615 -10.812 1.00 10.35 N ATOM 1122 CA ILE A 73 5.976 -1.005 -11.800 1.00 70.44 C ATOM 1123 C ILE A 73 4.562 -0.816 -11.259 1.00 3.41 C ATOM 1124 O ILE A 73 3.770 -0.058 -11.817 1.00 51.33 O ATOM 1125 CB ILE A 73 6.156 -2.472 -12.234 1.00 2.34 C ATOM 1126 CG1 ILE A 73 7.633 -2.769 -12.499 1.00 5.34 C ATOM 1127 CG2 ILE A 73 5.320 -2.765 -13.470 1.00 52.42 C ATOM 1128 CD1 ILE A 73 7.881 -4.163 -13.031 1.00 20.44 C ATOM 0 H ILE A 73 7.459 -1.397 -10.373 1.00 10.35 H new ATOM 0 HA ILE A 73 6.121 -0.359 -12.666 1.00 70.44 H new ATOM 0 HB ILE A 73 5.814 -3.120 -11.427 1.00 2.34 H new ATOM 0 HG12 ILE A 73 8.019 -2.042 -13.213 1.00 5.34 H new ATOM 0 HG13 ILE A 73 8.194 -2.636 -11.574 1.00 5.34 H new ATOM 0 HG21 ILE A 73 5.458 -3.805 -13.764 1.00 52.42 H new ATOM 0 HG22 ILE A 73 4.268 -2.587 -13.248 1.00 52.42 H new ATOM 0 HG23 ILE A 73 5.634 -2.113 -14.285 1.00 52.42 H new ATOM 0 HD11 ILE A 73 8.949 -4.305 -13.196 1.00 20.44 H new ATOM 0 HD12 ILE A 73 7.525 -4.897 -12.308 1.00 20.44 H new ATOM 0 HD13 ILE A 73 7.348 -4.293 -13.973 1.00 20.44 H new ATOM 1140 N SER A 74 4.255 -1.511 -10.169 1.00 34.22 N ATOM 1141 CA SER A 74 2.936 -1.421 -9.553 1.00 34.44 C ATOM 1142 C SER A 74 2.575 0.029 -9.247 1.00 12.00 C ATOM 1143 O SER A 74 1.402 0.391 -9.192 1.00 4.54 O ATOM 1144 CB SER A 74 2.893 -2.251 -8.268 1.00 32.15 C ATOM 1145 OG SER A 74 2.198 -1.565 -7.241 1.00 43.53 O ATOM 0 H SER A 74 4.901 -2.142 -9.694 1.00 34.22 H new ATOM 0 HA SER A 74 2.206 -1.817 -10.259 1.00 34.44 H new ATOM 0 HB2 SER A 74 2.407 -3.207 -8.465 1.00 32.15 H new ATOM 0 HB3 SER A 74 3.909 -2.472 -7.940 1.00 32.15 H new ATOM 0 HG SER A 74 1.425 -2.096 -6.958 1.00 43.53 H new ATOM 1151 N GLY A 75 3.597 0.857 -9.049 1.00 30.23 N ATOM 1152 CA GLY A 75 3.370 2.259 -8.750 1.00 71.54 C ATOM 1153 C GLY A 75 3.298 3.113 -10.001 1.00 52.41 C ATOM 1154 O GLY A 75 3.483 4.329 -9.943 1.00 72.55 O ATOM 0 H GLY A 75 4.578 0.581 -9.090 1.00 30.23 H new ATOM 0 HA2 GLY A 75 2.441 2.362 -8.189 1.00 71.54 H new ATOM 0 HA3 GLY A 75 4.172 2.625 -8.109 1.00 71.54 H new ATOM 1158 N LYS A 76 3.032 2.477 -11.136 1.00 72.22 N ATOM 1159 CA LYS A 76 2.937 3.185 -12.407 1.00 63.32 C ATOM 1160 C LYS A 76 4.102 4.153 -12.579 1.00 4.25 C ATOM 1161 O LYS A 76 3.959 5.212 -13.190 1.00 51.51 O ATOM 1162 CB LYS A 76 1.612 3.946 -12.493 1.00 43.21 C ATOM 1163 CG LYS A 76 1.528 5.130 -11.544 1.00 10.13 C ATOM 1164 CD LYS A 76 0.435 6.100 -11.959 1.00 41.34 C ATOM 1165 CE LYS A 76 0.939 7.535 -11.967 1.00 40.22 C ATOM 1166 NZ LYS A 76 1.053 8.075 -13.351 1.00 53.25 N1+ ATOM 0 H LYS A 76 2.878 1.471 -11.202 1.00 72.22 H new ATOM 0 HA LYS A 76 2.979 2.447 -13.209 1.00 63.32 H new ATOM 0 HB2 LYS A 76 1.471 4.299 -13.515 1.00 43.21 H new ATOM 0 HB3 LYS A 76 0.793 3.259 -12.277 1.00 43.21 H new ATOM 0 HG2 LYS A 76 1.335 4.774 -10.532 1.00 10.13 H new ATOM 0 HG3 LYS A 76 2.487 5.648 -11.522 1.00 10.13 H new ATOM 0 HD2 LYS A 76 0.070 5.836 -12.951 1.00 41.34 H new ATOM 0 HD3 LYS A 76 -0.409 6.013 -11.275 1.00 41.34 H new ATOM 0 HE2 LYS A 76 0.261 8.161 -11.387 1.00 40.22 H new ATOM 0 HE3 LYS A 76 1.912 7.581 -11.478 1.00 40.22 H new ATOM 0 HZ1 LYS A 76 1.399 9.055 -13.314 1.00 53.25 H new ATOM 0 HZ2 LYS A 76 1.719 7.493 -13.897 1.00 53.25 H new ATOM 0 HZ3 LYS A 76 0.120 8.055 -13.809 1.00 53.25 H new ATOM 1180 N THR A 77 5.260 3.781 -12.038 1.00 13.43 N ATOM 1181 CA THR A 77 6.450 4.616 -12.131 1.00 43.43 C ATOM 1182 C THR A 77 7.410 4.087 -13.191 1.00 63.21 C ATOM 1183 O THR A 77 8.175 4.848 -13.786 1.00 21.54 O ATOM 1184 CB THR A 77 7.187 4.698 -10.781 1.00 71.41 C ATOM 1185 OG1 THR A 77 6.477 5.561 -9.886 1.00 24.34 O ATOM 1186 CG2 THR A 77 8.607 5.211 -10.969 1.00 61.23 C ATOM 0 H THR A 77 5.397 2.907 -11.531 1.00 13.43 H new ATOM 0 HA THR A 77 6.115 5.614 -12.413 1.00 43.43 H new ATOM 0 HB THR A 77 7.233 3.695 -10.357 1.00 71.41 H new ATOM 0 HG1 THR A 77 5.542 5.275 -9.829 1.00 24.34 H new ATOM 0 HG21 THR A 77 9.107 5.260 -10.002 1.00 61.23 H new ATOM 0 HG22 THR A 77 9.154 4.535 -11.626 1.00 61.23 H new ATOM 0 HG23 THR A 77 8.579 6.206 -11.414 1.00 61.23 H new ATOM 1194 N LEU A 78 7.366 2.780 -13.422 1.00 61.23 N ATOM 1195 CA LEU A 78 8.232 2.148 -14.411 1.00 64.41 C ATOM 1196 C LEU A 78 7.514 0.999 -15.110 1.00 4.21 C ATOM 1197 O LEU A 78 6.429 0.588 -14.698 1.00 64.35 O ATOM 1198 CB LEU A 78 9.511 1.635 -13.745 1.00 40.00 C ATOM 1199 CG LEU A 78 10.812 2.311 -14.182 1.00 14.14 C ATOM 1200 CD1 LEU A 78 10.968 2.243 -15.693 1.00 21.42 C ATOM 1201 CD2 LEU A 78 10.850 3.756 -13.703 1.00 52.03 C ATOM 0 H LEU A 78 6.740 2.137 -12.938 1.00 61.23 H new ATOM 0 HA LEU A 78 8.494 2.897 -15.159 1.00 64.41 H new ATOM 0 HB2 LEU A 78 9.408 1.753 -12.666 1.00 40.00 H new ATOM 0 HB3 LEU A 78 9.596 0.566 -13.942 1.00 40.00 H new ATOM 0 HG LEU A 78 11.647 1.777 -13.728 1.00 14.14 H new ATOM 0 HD11 LEU A 78 11.899 2.729 -15.985 1.00 21.42 H new ATOM 0 HD12 LEU A 78 10.988 1.200 -16.010 1.00 21.42 H new ATOM 0 HD13 LEU A 78 10.129 2.751 -16.169 1.00 21.42 H new ATOM 0 HD21 LEU A 78 11.782 4.221 -14.023 1.00 52.03 H new ATOM 0 HD22 LEU A 78 10.008 4.302 -14.128 1.00 52.03 H new ATOM 0 HD23 LEU A 78 10.787 3.780 -12.615 1.00 52.03 H new ATOM 1213 N THR A 79 8.127 0.480 -16.169 1.00 53.44 N ATOM 1214 CA THR A 79 7.547 -0.622 -16.925 1.00 2.24 C ATOM 1215 C THR A 79 8.533 -1.778 -17.055 1.00 31.21 C ATOM 1216 O THR A 79 9.747 -1.576 -17.054 1.00 53.42 O ATOM 1217 CB THR A 79 7.113 -0.173 -18.333 1.00 73.11 C ATOM 1218 OG1 THR A 79 8.240 0.339 -19.053 1.00 25.35 O ATOM 1219 CG2 THR A 79 6.031 0.894 -18.250 1.00 71.32 C ATOM 0 H THR A 79 9.026 0.806 -16.523 1.00 53.44 H new ATOM 0 HA THR A 79 6.669 -0.956 -16.372 1.00 2.24 H new ATOM 0 HB THR A 79 6.709 -1.038 -18.859 1.00 73.11 H new ATOM 0 HG1 THR A 79 7.956 0.621 -19.948 1.00 25.35 H new ATOM 0 HG21 THR A 79 5.740 1.196 -19.256 1.00 71.32 H new ATOM 0 HG22 THR A 79 5.163 0.492 -17.726 1.00 71.32 H new ATOM 0 HG23 THR A 79 6.414 1.759 -17.708 1.00 71.32 H new ATOM 1227 N VAL A 80 8.002 -2.992 -17.167 1.00 5.33 N ATOM 1228 CA VAL A 80 8.836 -4.182 -17.299 1.00 10.20 C ATOM 1229 C VAL A 80 9.870 -4.007 -18.405 1.00 63.11 C ATOM 1230 O VAL A 80 11.029 -4.392 -18.253 1.00 72.02 O ATOM 1231 CB VAL A 80 7.987 -5.431 -17.599 1.00 1.42 C ATOM 1232 CG1 VAL A 80 8.879 -6.647 -17.799 1.00 32.31 C ATOM 1233 CG2 VAL A 80 6.982 -5.673 -16.482 1.00 54.23 C ATOM 0 H VAL A 80 6.999 -3.177 -17.169 1.00 5.33 H new ATOM 0 HA VAL A 80 9.347 -4.319 -16.346 1.00 10.20 H new ATOM 0 HB VAL A 80 7.434 -5.261 -18.523 1.00 1.42 H new ATOM 0 HG11 VAL A 80 8.262 -7.520 -18.010 1.00 32.31 H new ATOM 0 HG12 VAL A 80 9.554 -6.469 -18.636 1.00 32.31 H new ATOM 0 HG13 VAL A 80 9.461 -6.824 -16.895 1.00 32.31 H new ATOM 0 HG21 VAL A 80 6.390 -6.560 -16.711 1.00 54.23 H new ATOM 0 HG22 VAL A 80 7.512 -5.823 -15.542 1.00 54.23 H new ATOM 0 HG23 VAL A 80 6.322 -4.810 -16.393 1.00 54.23 H new ATOM 1243 N GLY A 81 9.444 -3.421 -19.521 1.00 1.42 N ATOM 1244 CA GLY A 81 10.346 -3.205 -20.636 1.00 4.53 C ATOM 1245 C GLY A 81 11.548 -2.363 -20.256 1.00 72.43 C ATOM 1246 O GLY A 81 12.670 -2.642 -20.681 1.00 54.32 O ATOM 0 H GLY A 81 8.490 -3.092 -19.672 1.00 1.42 H new ATOM 0 HA2 GLY A 81 10.687 -4.168 -21.015 1.00 4.53 H new ATOM 0 HA3 GLY A 81 9.806 -2.716 -21.447 1.00 4.53 H new ATOM 1250 N ASP A 82 11.315 -1.331 -19.453 1.00 14.13 N ATOM 1251 CA ASP A 82 12.388 -0.445 -19.015 1.00 21.43 C ATOM 1252 C ASP A 82 13.286 -1.142 -17.999 1.00 23.42 C ATOM 1253 O ASP A 82 14.512 -1.047 -18.070 1.00 72.21 O ATOM 1254 CB ASP A 82 11.807 0.834 -18.409 1.00 22.14 C ATOM 1255 CG ASP A 82 11.838 1.998 -19.378 1.00 13.02 C ATOM 1256 OD1 ASP A 82 10.885 2.807 -19.365 1.00 14.15 O ATOM 1257 OD2 ASP A 82 12.815 2.104 -20.148 1.00 41.32 O1- ATOM 0 H ASP A 82 10.393 -1.087 -19.092 1.00 14.13 H new ATOM 0 HA ASP A 82 12.989 -0.184 -19.886 1.00 21.43 H new ATOM 0 HB2 ASP A 82 10.778 0.651 -18.098 1.00 22.14 H new ATOM 0 HB3 ASP A 82 12.369 1.096 -17.513 1.00 22.14 H new ATOM 1262 N ALA A 83 12.670 -1.842 -17.052 1.00 45.42 N ATOM 1263 CA ALA A 83 13.413 -2.556 -16.022 1.00 21.54 C ATOM 1264 C ALA A 83 14.253 -3.676 -16.627 1.00 74.42 C ATOM 1265 O ALA A 83 15.352 -3.967 -16.153 1.00 71.11 O ATOM 1266 CB ALA A 83 12.462 -3.114 -14.974 1.00 12.34 C ATOM 0 H ALA A 83 11.657 -1.930 -16.977 1.00 45.42 H new ATOM 0 HA ALA A 83 14.089 -1.849 -15.542 1.00 21.54 H new ATOM 0 HB1 ALA A 83 13.032 -3.645 -14.211 1.00 12.34 H new ATOM 0 HB2 ALA A 83 11.910 -2.296 -14.511 1.00 12.34 H new ATOM 0 HB3 ALA A 83 11.762 -3.802 -15.448 1.00 12.34 H new ATOM 1272 N LEU A 84 13.729 -4.301 -17.676 1.00 41.30 N ATOM 1273 CA LEU A 84 14.430 -5.390 -18.346 1.00 72.41 C ATOM 1274 C LEU A 84 15.793 -4.930 -18.854 1.00 23.24 C ATOM 1275 O LEU A 84 16.815 -5.558 -18.579 1.00 61.34 O ATOM 1276 CB LEU A 84 13.592 -5.924 -19.509 1.00 54.12 C ATOM 1277 CG LEU A 84 13.282 -7.421 -19.481 1.00 10.02 C ATOM 1278 CD1 LEU A 84 14.547 -8.232 -19.715 1.00 35.23 C ATOM 1279 CD2 LEU A 84 12.634 -7.808 -18.160 1.00 24.15 C ATOM 0 H LEU A 84 12.821 -4.072 -18.081 1.00 41.30 H new ATOM 0 HA LEU A 84 14.585 -6.189 -17.621 1.00 72.41 H new ATOM 0 HB2 LEU A 84 12.649 -5.378 -19.531 1.00 54.12 H new ATOM 0 HB3 LEU A 84 14.113 -5.699 -20.440 1.00 54.12 H new ATOM 0 HG LEU A 84 12.579 -7.642 -20.285 1.00 10.02 H new ATOM 0 HD11 LEU A 84 14.307 -9.295 -19.692 1.00 35.23 H new ATOM 0 HD12 LEU A 84 14.968 -7.976 -20.687 1.00 35.23 H new ATOM 0 HD13 LEU A 84 15.273 -8.007 -18.934 1.00 35.23 H new ATOM 0 HD21 LEU A 84 12.421 -8.877 -18.159 1.00 24.15 H new ATOM 0 HD22 LEU A 84 13.312 -7.572 -17.339 1.00 24.15 H new ATOM 0 HD23 LEU A 84 11.705 -7.252 -18.034 1.00 24.15 H new ATOM 1291 N LYS A 85 15.799 -3.828 -19.596 1.00 13.23 N ATOM 1292 CA LYS A 85 17.036 -3.280 -20.141 1.00 53.44 C ATOM 1293 C LYS A 85 18.074 -3.080 -19.041 1.00 73.11 C ATOM 1294 O LYS A 85 19.232 -3.466 -19.193 1.00 1.12 O ATOM 1295 CB LYS A 85 16.761 -1.950 -20.846 1.00 25.42 C ATOM 1296 CG LYS A 85 17.286 -1.895 -22.270 1.00 52.24 C ATOM 1297 CD LYS A 85 17.139 -0.505 -22.866 1.00 12.13 C ATOM 1298 CE LYS A 85 15.703 -0.225 -23.277 1.00 30.01 C ATOM 1299 NZ LYS A 85 15.008 0.658 -22.299 1.00 0.02 N1+ ATOM 0 H LYS A 85 14.961 -3.297 -19.834 1.00 13.23 H new ATOM 0 HA LYS A 85 17.432 -3.993 -20.864 1.00 53.44 H new ATOM 0 HB2 LYS A 85 15.686 -1.770 -20.857 1.00 25.42 H new ATOM 0 HB3 LYS A 85 17.213 -1.143 -20.270 1.00 25.42 H new ATOM 0 HG2 LYS A 85 18.336 -2.188 -22.283 1.00 52.24 H new ATOM 0 HG3 LYS A 85 16.746 -2.615 -22.886 1.00 52.24 H new ATOM 0 HD2 LYS A 85 17.462 0.240 -22.139 1.00 12.13 H new ATOM 0 HD3 LYS A 85 17.792 -0.409 -23.733 1.00 12.13 H new ATOM 0 HE2 LYS A 85 15.692 0.243 -24.261 1.00 30.01 H new ATOM 0 HE3 LYS A 85 15.161 -1.166 -23.366 1.00 30.01 H new ATOM 0 HZ1 LYS A 85 13.998 0.716 -22.540 1.00 0.02 H new ATOM 0 HZ2 LYS A 85 15.114 0.266 -21.341 1.00 0.02 H new ATOM 0 HZ3 LYS A 85 15.427 1.609 -22.332 1.00 0.02 H new ATOM 1313 N GLN A 86 17.649 -2.476 -17.937 1.00 11.43 N ATOM 1314 CA GLN A 86 18.543 -2.226 -16.812 1.00 53.23 C ATOM 1315 C GLN A 86 18.947 -3.533 -16.137 1.00 21.22 C ATOM 1316 O GLN A 86 19.993 -3.613 -15.493 1.00 41.42 O ATOM 1317 CB GLN A 86 17.871 -1.301 -15.795 1.00 12.42 C ATOM 1318 CG GLN A 86 17.258 -0.056 -16.417 1.00 73.05 C ATOM 1319 CD GLN A 86 17.038 1.052 -15.407 1.00 42.21 C ATOM 1320 OE1 GLN A 86 17.946 1.831 -15.114 1.00 72.11 O ATOM 1321 NE2 GLN A 86 15.826 1.130 -14.870 1.00 61.43 N ATOM 0 H GLN A 86 16.692 -2.151 -17.797 1.00 11.43 H new ATOM 0 HA GLN A 86 19.442 -1.742 -17.195 1.00 53.23 H new ATOM 0 HB2 GLN A 86 17.093 -1.856 -15.270 1.00 12.42 H new ATOM 0 HB3 GLN A 86 18.606 -1.000 -15.049 1.00 12.42 H new ATOM 0 HG2 GLN A 86 17.909 0.307 -17.212 1.00 73.05 H new ATOM 0 HG3 GLN A 86 16.305 -0.316 -16.879 1.00 73.05 H new ATOM 0 HE21 GLN A 86 15.104 0.463 -15.142 1.00 61.43 H new ATOM 0 HE22 GLN A 86 15.617 1.857 -14.185 1.00 61.43 H new ATOM 1330 N GLY A 87 18.112 -4.556 -16.290 1.00 0.43 N ATOM 1331 CA GLY A 87 18.400 -5.845 -15.689 1.00 2.32 C ATOM 1332 C GLY A 87 17.865 -5.959 -14.275 1.00 44.42 C ATOM 1333 O GLY A 87 18.539 -6.482 -13.388 1.00 32.22 O ATOM 0 H GLY A 87 17.241 -4.515 -16.819 1.00 0.43 H new ATOM 0 HA2 GLY A 87 17.965 -6.634 -16.303 1.00 2.32 H new ATOM 0 HA3 GLY A 87 19.478 -6.005 -15.680 1.00 2.32 H new ATOM 1337 N LYS A 88 16.650 -5.466 -14.063 1.00 21.33 N ATOM 1338 CA LYS A 88 16.023 -5.514 -12.747 1.00 11.34 C ATOM 1339 C LYS A 88 15.499 -6.914 -12.444 1.00 1.12 C ATOM 1340 O LYS A 88 15.467 -7.338 -11.289 1.00 61.44 O ATOM 1341 CB LYS A 88 14.878 -4.502 -12.668 1.00 75.34 C ATOM 1342 CG LYS A 88 15.296 -3.083 -13.014 1.00 24.51 C ATOM 1343 CD LYS A 88 15.858 -2.357 -11.804 1.00 73.13 C ATOM 1344 CE LYS A 88 17.293 -1.908 -12.041 1.00 11.13 C ATOM 1345 NZ LYS A 88 17.815 -1.098 -10.905 1.00 30.44 N1+ ATOM 0 H LYS A 88 16.079 -5.028 -14.786 1.00 21.33 H new ATOM 0 HA LYS A 88 16.778 -5.259 -12.003 1.00 11.34 H new ATOM 0 HB2 LYS A 88 14.082 -4.813 -13.345 1.00 75.34 H new ATOM 0 HB3 LYS A 88 14.462 -4.514 -11.660 1.00 75.34 H new ATOM 0 HG2 LYS A 88 16.045 -3.106 -13.806 1.00 24.51 H new ATOM 0 HG3 LYS A 88 14.438 -2.534 -13.403 1.00 24.51 H new ATOM 0 HD2 LYS A 88 15.237 -1.490 -11.577 1.00 73.13 H new ATOM 0 HD3 LYS A 88 15.820 -3.013 -10.934 1.00 73.13 H new ATOM 0 HE2 LYS A 88 17.928 -2.782 -12.186 1.00 11.13 H new ATOM 0 HE3 LYS A 88 17.343 -1.322 -12.959 1.00 11.13 H new ATOM 0 HZ1 LYS A 88 18.795 -0.811 -11.104 1.00 30.44 H new ATOM 0 HZ2 LYS A 88 17.224 -0.251 -10.783 1.00 30.44 H new ATOM 0 HZ3 LYS A 88 17.791 -1.666 -10.034 1.00 30.44 H new ATOM 1359 N ILE A 89 15.092 -7.627 -13.489 1.00 4.34 N ATOM 1360 CA ILE A 89 14.573 -8.981 -13.333 1.00 61.10 C ATOM 1361 C ILE A 89 15.574 -10.014 -13.839 1.00 40.34 C ATOM 1362 O ILE A 89 16.106 -9.890 -14.941 1.00 73.31 O ATOM 1363 CB ILE A 89 13.241 -9.162 -14.085 1.00 34.53 C ATOM 1364 CG1 ILE A 89 12.256 -8.058 -13.695 1.00 63.53 C ATOM 1365 CG2 ILE A 89 12.651 -10.534 -13.793 1.00 22.12 C ATOM 1366 CD1 ILE A 89 11.696 -7.301 -14.880 1.00 63.11 C ATOM 0 H ILE A 89 15.111 -7.290 -14.452 1.00 4.34 H new ATOM 0 HA ILE A 89 14.403 -9.134 -12.267 1.00 61.10 H new ATOM 0 HB ILE A 89 13.432 -9.090 -15.156 1.00 34.53 H new ATOM 0 HG12 ILE A 89 11.432 -8.499 -13.134 1.00 63.53 H new ATOM 0 HG13 ILE A 89 12.756 -7.355 -13.028 1.00 63.53 H new ATOM 0 HG21 ILE A 89 11.710 -10.647 -14.331 1.00 22.12 H new ATOM 0 HG22 ILE A 89 13.349 -11.306 -14.116 1.00 22.12 H new ATOM 0 HG23 ILE A 89 12.471 -10.632 -12.722 1.00 22.12 H new ATOM 0 HD11 ILE A 89 11.005 -6.534 -14.529 1.00 63.11 H new ATOM 0 HD12 ILE A 89 12.511 -6.831 -15.430 1.00 63.11 H new ATOM 0 HD13 ILE A 89 11.167 -7.992 -15.536 1.00 63.11 H new ATOM 1378 N GLU A 90 15.823 -11.036 -13.026 1.00 44.31 N ATOM 1379 CA GLU A 90 16.759 -12.092 -13.390 1.00 3.44 C ATOM 1380 C GLU A 90 16.034 -13.250 -14.071 1.00 63.21 C ATOM 1381 O GLU A 90 14.866 -13.519 -13.787 1.00 12.42 O ATOM 1382 CB GLU A 90 17.501 -12.597 -12.152 1.00 21.54 C ATOM 1383 CG GLU A 90 18.973 -12.223 -12.129 1.00 21.32 C ATOM 1384 CD GLU A 90 19.884 -13.435 -12.098 1.00 53.14 C ATOM 1385 OE1 GLU A 90 19.876 -14.207 -13.079 1.00 2.24 O ATOM 1386 OE2 GLU A 90 20.602 -13.612 -11.092 1.00 73.11 O1- ATOM 0 H GLU A 90 15.389 -11.155 -12.111 1.00 44.31 H new ATOM 0 HA GLU A 90 17.482 -11.675 -14.091 1.00 3.44 H new ATOM 0 HB2 GLU A 90 17.019 -12.195 -11.261 1.00 21.54 H new ATOM 0 HB3 GLU A 90 17.410 -13.682 -12.102 1.00 21.54 H new ATOM 0 HG2 GLU A 90 19.205 -11.622 -13.008 1.00 21.32 H new ATOM 0 HG3 GLU A 90 19.172 -11.601 -11.256 1.00 21.32 H new ATOM 1393 N LEU A 91 16.734 -13.933 -14.970 1.00 41.35 N ATOM 1394 CA LEU A 91 16.159 -15.061 -15.692 1.00 12.31 C ATOM 1395 C LEU A 91 16.777 -16.377 -15.229 1.00 71.23 C ATOM 1396 O LEU A 91 17.993 -16.559 -15.291 1.00 24.34 O ATOM 1397 CB LEU A 91 16.367 -14.890 -17.197 1.00 34.35 C ATOM 1398 CG LEU A 91 15.953 -13.540 -17.783 1.00 43.14 C ATOM 1399 CD1 LEU A 91 16.262 -13.485 -19.271 1.00 21.14 C ATOM 1400 CD2 LEU A 91 14.474 -13.281 -17.534 1.00 15.23 C ATOM 0 H LEU A 91 17.702 -13.725 -15.216 1.00 41.35 H new ATOM 0 HA LEU A 91 15.090 -15.088 -15.480 1.00 12.31 H new ATOM 0 HB2 LEU A 91 17.422 -15.051 -17.418 1.00 34.35 H new ATOM 0 HB3 LEU A 91 15.810 -15.673 -17.712 1.00 34.35 H new ATOM 0 HG LEU A 91 16.527 -12.759 -17.285 1.00 43.14 H new ATOM 0 HD11 LEU A 91 15.960 -12.517 -19.670 1.00 21.14 H new ATOM 0 HD12 LEU A 91 17.332 -13.624 -19.426 1.00 21.14 H new ATOM 0 HD13 LEU A 91 15.716 -14.275 -19.786 1.00 21.14 H new ATOM 0 HD21 LEU A 91 14.197 -12.316 -17.958 1.00 15.23 H new ATOM 0 HD22 LEU A 91 13.883 -14.067 -18.004 1.00 15.23 H new ATOM 0 HD23 LEU A 91 14.281 -13.275 -16.461 1.00 15.23 H new ATOM 1412 N SER A 92 15.932 -17.291 -14.764 1.00 62.30 N ATOM 1413 CA SER A 92 16.395 -18.590 -14.288 1.00 12.01 C ATOM 1414 C SER A 92 15.489 -19.707 -14.792 1.00 53.43 C ATOM 1415 O SER A 92 14.338 -19.825 -14.374 1.00 42.11 O ATOM 1416 CB SER A 92 16.445 -18.608 -12.759 1.00 32.04 C ATOM 1417 OG SER A 92 16.062 -17.354 -12.222 1.00 24.24 O ATOM 0 H SER A 92 14.923 -17.156 -14.706 1.00 62.30 H new ATOM 0 HA SER A 92 17.399 -18.756 -14.679 1.00 12.01 H new ATOM 0 HB2 SER A 92 15.784 -19.387 -12.379 1.00 32.04 H new ATOM 0 HB3 SER A 92 17.453 -18.856 -12.428 1.00 32.04 H new ATOM 0 HG SER A 92 15.086 -17.268 -12.255 1.00 24.24 H new ATOM 1423 N GLY A 93 16.017 -20.529 -15.695 1.00 72.14 N ATOM 1424 CA GLY A 93 15.243 -21.627 -16.242 1.00 41.14 C ATOM 1425 C GLY A 93 14.920 -21.434 -17.711 1.00 52.41 C ATOM 1426 O GLY A 93 15.573 -22.016 -18.578 1.00 72.03 O ATOM 0 H GLY A 93 16.968 -20.453 -16.057 1.00 72.14 H new ATOM 0 HA2 GLY A 93 15.797 -22.557 -16.114 1.00 41.14 H new ATOM 0 HA3 GLY A 93 14.315 -21.729 -15.679 1.00 41.14 H new ATOM 1430 N ASP A 94 13.911 -20.617 -17.990 1.00 50.01 N ATOM 1431 CA ASP A 94 13.503 -20.350 -19.364 1.00 42.00 C ATOM 1432 C ASP A 94 13.174 -18.873 -19.556 1.00 61.22 C ATOM 1433 O ASP A 94 12.082 -18.420 -19.213 1.00 24.31 O ATOM 1434 CB ASP A 94 12.291 -21.207 -19.735 1.00 44.20 C ATOM 1435 CG ASP A 94 12.481 -21.943 -21.046 1.00 62.13 C ATOM 1436 OD1 ASP A 94 11.858 -21.539 -22.051 1.00 22.23 O ATOM 1437 OD2 ASP A 94 13.255 -22.923 -21.069 1.00 42.01 O1- ATOM 0 H ASP A 94 13.361 -20.128 -17.284 1.00 50.01 H new ATOM 0 HA ASP A 94 14.335 -20.607 -20.020 1.00 42.00 H new ATOM 0 HB2 ASP A 94 12.104 -21.929 -18.940 1.00 44.20 H new ATOM 0 HB3 ASP A 94 11.408 -20.572 -19.803 1.00 44.20 H new ATOM 1442 N ALA A 95 14.127 -18.126 -20.104 1.00 52.22 N ATOM 1443 CA ALA A 95 13.938 -16.700 -20.342 1.00 61.03 C ATOM 1444 C ALA A 95 12.762 -16.451 -21.281 1.00 63.24 C ATOM 1445 O ALA A 95 12.098 -15.418 -21.198 1.00 24.01 O ATOM 1446 CB ALA A 95 15.209 -16.087 -20.911 1.00 22.22 C ATOM 0 H ALA A 95 15.038 -18.485 -20.391 1.00 52.22 H new ATOM 0 HA ALA A 95 13.714 -16.224 -19.387 1.00 61.03 H new ATOM 0 HB1 ALA A 95 15.054 -15.022 -21.084 1.00 22.22 H new ATOM 0 HB2 ALA A 95 16.027 -16.224 -20.204 1.00 22.22 H new ATOM 0 HB3 ALA A 95 15.458 -16.575 -21.853 1.00 22.22 H new ATOM 1452 N ASP A 96 12.511 -17.403 -22.173 1.00 31.21 N ATOM 1453 CA ASP A 96 11.415 -17.286 -23.127 1.00 63.04 C ATOM 1454 C ASP A 96 10.073 -17.195 -22.406 1.00 71.11 C ATOM 1455 O ASP A 96 9.298 -16.266 -22.630 1.00 42.54 O ATOM 1456 CB ASP A 96 11.414 -18.480 -24.084 1.00 13.52 C ATOM 1457 CG ASP A 96 10.760 -18.156 -25.413 1.00 14.13 C ATOM 1458 OD1 ASP A 96 10.348 -16.994 -25.604 1.00 42.02 O ATOM 1459 OD2 ASP A 96 10.662 -19.066 -26.263 1.00 51.14 O1- ATOM 0 H ASP A 96 13.052 -18.264 -22.255 1.00 31.21 H new ATOM 0 HA ASP A 96 11.561 -16.371 -23.700 1.00 63.04 H new ATOM 0 HB2 ASP A 96 12.440 -18.804 -24.257 1.00 13.52 H new ATOM 0 HB3 ASP A 96 10.890 -19.315 -23.618 1.00 13.52 H new ATOM 1464 N LEU A 97 9.807 -18.167 -21.540 1.00 21.24 N ATOM 1465 CA LEU A 97 8.559 -18.197 -20.785 1.00 53.03 C ATOM 1466 C LEU A 97 8.353 -16.894 -20.020 1.00 34.03 C ATOM 1467 O LEU A 97 7.236 -16.387 -19.926 1.00 22.40 O ATOM 1468 CB LEU A 97 8.556 -19.379 -19.814 1.00 23.04 C ATOM 1469 CG LEU A 97 7.409 -20.377 -19.974 1.00 32.22 C ATOM 1470 CD1 LEU A 97 6.067 -19.681 -19.805 1.00 33.50 C ATOM 1471 CD2 LEU A 97 7.487 -21.065 -21.329 1.00 13.34 C ATOM 0 H LEU A 97 10.438 -18.944 -21.343 1.00 21.24 H new ATOM 0 HA LEU A 97 7.738 -18.314 -21.492 1.00 53.03 H new ATOM 0 HB2 LEU A 97 9.497 -19.917 -19.926 1.00 23.04 H new ATOM 0 HB3 LEU A 97 8.531 -18.988 -18.797 1.00 23.04 H new ATOM 0 HG LEU A 97 7.502 -21.135 -19.197 1.00 32.22 H new ATOM 0 HD11 LEU A 97 5.263 -20.408 -19.922 1.00 33.50 H new ATOM 0 HD12 LEU A 97 6.011 -19.235 -18.812 1.00 33.50 H new ATOM 0 HD13 LEU A 97 5.964 -18.901 -20.559 1.00 33.50 H new ATOM 0 HD21 LEU A 97 6.663 -21.772 -21.426 1.00 13.34 H new ATOM 0 HD22 LEU A 97 7.420 -20.319 -22.120 1.00 13.34 H new ATOM 0 HD23 LEU A 97 8.434 -21.598 -21.412 1.00 13.34 H new ATOM 1483 N ALA A 98 9.439 -16.355 -19.476 1.00 51.02 N ATOM 1484 CA ALA A 98 9.379 -15.109 -18.722 1.00 72.21 C ATOM 1485 C ALA A 98 9.131 -13.921 -19.646 1.00 74.34 C ATOM 1486 O ALA A 98 8.230 -13.117 -19.410 1.00 70.15 O ATOM 1487 CB ALA A 98 10.664 -14.907 -17.932 1.00 43.44 C ATOM 0 H ALA A 98 10.372 -16.762 -19.544 1.00 51.02 H new ATOM 0 HA ALA A 98 8.544 -15.175 -18.024 1.00 72.21 H new ATOM 0 HB1 ALA A 98 10.605 -13.973 -17.374 1.00 43.44 H new ATOM 0 HB2 ALA A 98 10.799 -15.736 -17.238 1.00 43.44 H new ATOM 0 HB3 ALA A 98 11.510 -14.867 -18.618 1.00 43.44 H new ATOM 1493 N ALA A 99 9.939 -13.816 -20.696 1.00 41.25 N ATOM 1494 CA ALA A 99 9.806 -12.726 -21.656 1.00 41.24 C ATOM 1495 C ALA A 99 8.391 -12.663 -22.221 1.00 64.45 C ATOM 1496 O ALA A 99 7.865 -11.581 -22.487 1.00 63.22 O ATOM 1497 CB ALA A 99 10.819 -12.886 -22.780 1.00 14.33 C ATOM 0 H ALA A 99 10.692 -14.472 -20.904 1.00 41.25 H new ATOM 0 HA ALA A 99 10.003 -11.789 -21.135 1.00 41.24 H new ATOM 0 HB1 ALA A 99 10.708 -12.066 -23.489 1.00 14.33 H new ATOM 0 HB2 ALA A 99 11.827 -12.874 -22.366 1.00 14.33 H new ATOM 0 HB3 ALA A 99 10.648 -13.833 -23.292 1.00 14.33 H new ATOM 1503 N LYS A 100 7.778 -13.827 -22.403 1.00 1.23 N ATOM 1504 CA LYS A 100 6.423 -13.904 -22.938 1.00 72.44 C ATOM 1505 C LYS A 100 5.433 -13.204 -22.012 1.00 13.34 C ATOM 1506 O LYS A 100 4.398 -12.706 -22.456 1.00 61.21 O ATOM 1507 CB LYS A 100 6.012 -15.366 -23.129 1.00 31.43 C ATOM 1508 CG LYS A 100 4.687 -15.533 -23.853 1.00 4.53 C ATOM 1509 CD LYS A 100 4.459 -16.977 -24.271 1.00 22.41 C ATOM 1510 CE LYS A 100 2.978 -17.326 -24.286 1.00 35.11 C ATOM 1511 NZ LYS A 100 2.519 -17.739 -25.641 1.00 40.13 N1+ ATOM 0 H LYS A 100 8.198 -14.731 -22.188 1.00 1.23 H new ATOM 0 HA LYS A 100 6.410 -13.399 -23.904 1.00 72.44 H new ATOM 0 HB2 LYS A 100 6.791 -15.884 -23.689 1.00 31.43 H new ATOM 0 HB3 LYS A 100 5.947 -15.847 -22.153 1.00 31.43 H new ATOM 0 HG2 LYS A 100 3.873 -15.208 -23.205 1.00 4.53 H new ATOM 0 HG3 LYS A 100 4.669 -14.891 -24.734 1.00 4.53 H new ATOM 0 HD2 LYS A 100 4.883 -17.141 -25.262 1.00 22.41 H new ATOM 0 HD3 LYS A 100 4.984 -17.642 -23.586 1.00 22.41 H new ATOM 0 HE2 LYS A 100 2.788 -18.132 -23.577 1.00 35.11 H new ATOM 0 HE3 LYS A 100 2.399 -16.465 -23.953 1.00 35.11 H new ATOM 0 HZ1 LYS A 100 1.505 -17.968 -25.609 1.00 40.13 H new ATOM 0 HZ2 LYS A 100 2.677 -16.961 -26.313 1.00 40.13 H new ATOM 0 HZ3 LYS A 100 3.054 -18.576 -25.948 1.00 40.13 H new ATOM 1525 N LEU A 101 5.759 -13.167 -20.724 1.00 12.30 N ATOM 1526 CA LEU A 101 4.898 -12.525 -19.736 1.00 3.23 C ATOM 1527 C LEU A 101 4.940 -11.007 -19.882 1.00 62.45 C ATOM 1528 O LEU A 101 3.904 -10.360 -20.033 1.00 14.21 O ATOM 1529 CB LEU A 101 5.325 -12.925 -18.323 1.00 62.20 C ATOM 1530 CG LEU A 101 4.306 -13.731 -17.517 1.00 45.40 C ATOM 1531 CD1 LEU A 101 4.779 -13.907 -16.082 1.00 50.44 C ATOM 1532 CD2 LEU A 101 2.944 -13.054 -17.552 1.00 34.24 C ATOM 0 H LEU A 101 6.612 -13.573 -20.340 1.00 12.30 H new ATOM 0 HA LEU A 101 3.875 -12.860 -19.908 1.00 3.23 H new ATOM 0 HB2 LEU A 101 6.244 -13.506 -18.394 1.00 62.20 H new ATOM 0 HB3 LEU A 101 5.563 -12.018 -17.767 1.00 62.20 H new ATOM 0 HG LEU A 101 4.211 -14.718 -17.970 1.00 45.40 H new ATOM 0 HD11 LEU A 101 4.041 -14.483 -15.524 1.00 50.44 H new ATOM 0 HD12 LEU A 101 5.732 -14.435 -16.075 1.00 50.44 H new ATOM 0 HD13 LEU A 101 4.903 -12.929 -15.617 1.00 50.44 H new ATOM 0 HD21 LEU A 101 2.231 -13.641 -16.973 1.00 34.24 H new ATOM 0 HD22 LEU A 101 3.023 -12.055 -17.124 1.00 34.24 H new ATOM 0 HD23 LEU A 101 2.601 -12.980 -18.584 1.00 34.24 H new ATOM 1544 N ALA A 102 6.144 -10.446 -19.836 1.00 31.42 N ATOM 1545 CA ALA A 102 6.321 -9.005 -19.967 1.00 1.32 C ATOM 1546 C ALA A 102 5.581 -8.470 -21.188 1.00 62.44 C ATOM 1547 O ALA A 102 5.121 -7.329 -21.196 1.00 20.35 O ATOM 1548 CB ALA A 102 7.801 -8.661 -20.051 1.00 64.24 C ATOM 0 H ALA A 102 7.011 -10.968 -19.709 1.00 31.42 H new ATOM 0 HA ALA A 102 5.898 -8.530 -19.082 1.00 1.32 H new ATOM 0 HB1 ALA A 102 7.919 -7.582 -20.149 1.00 64.24 H new ATOM 0 HB2 ALA A 102 8.305 -9.001 -19.146 1.00 64.24 H new ATOM 0 HB3 ALA A 102 8.240 -9.154 -20.918 1.00 64.24 H new ATOM 1554 N GLU A 103 5.471 -9.302 -22.220 1.00 45.13 N ATOM 1555 CA GLU A 103 4.787 -8.910 -23.447 1.00 0.13 C ATOM 1556 C GLU A 103 3.348 -8.493 -23.159 1.00 54.13 C ATOM 1557 O GLU A 103 2.796 -7.623 -23.831 1.00 43.44 O ATOM 1558 CB GLU A 103 4.805 -10.060 -24.456 1.00 65.34 C ATOM 1559 CG GLU A 103 3.541 -10.903 -24.440 1.00 71.40 C ATOM 1560 CD GLU A 103 2.421 -10.292 -25.258 1.00 43.23 C ATOM 1561 OE1 GLU A 103 1.243 -10.531 -24.921 1.00 35.33 O ATOM 1562 OE2 GLU A 103 2.723 -9.576 -26.236 1.00 44.42 O1- ATOM 0 H GLU A 103 5.846 -10.250 -22.230 1.00 45.13 H new ATOM 0 HA GLU A 103 5.316 -8.056 -23.871 1.00 0.13 H new ATOM 0 HB2 GLU A 103 4.947 -9.652 -25.457 1.00 65.34 H new ATOM 0 HB3 GLU A 103 5.662 -10.701 -24.249 1.00 65.34 H new ATOM 0 HG2 GLU A 103 3.767 -11.897 -24.826 1.00 71.40 H new ATOM 0 HG3 GLU A 103 3.206 -11.029 -23.410 1.00 71.40 H new ATOM 1569 N VAL A 104 2.746 -9.123 -22.155 1.00 33.41 N ATOM 1570 CA VAL A 104 1.371 -8.818 -21.776 1.00 23.33 C ATOM 1571 C VAL A 104 1.303 -7.557 -20.922 1.00 20.50 C ATOM 1572 O VAL A 104 0.251 -6.926 -20.811 1.00 4.15 O ATOM 1573 CB VAL A 104 0.731 -9.985 -21.002 1.00 33.51 C ATOM 1574 CG1 VAL A 104 1.070 -9.896 -19.523 1.00 74.10 C ATOM 1575 CG2 VAL A 104 -0.776 -9.998 -21.212 1.00 43.11 C ATOM 0 H VAL A 104 3.189 -9.847 -21.590 1.00 33.41 H new ATOM 0 HA VAL A 104 0.816 -8.657 -22.700 1.00 23.33 H new ATOM 0 HB VAL A 104 1.138 -10.920 -21.387 1.00 33.51 H new ATOM 0 HG11 VAL A 104 0.609 -10.729 -18.993 1.00 74.10 H new ATOM 0 HG12 VAL A 104 2.152 -9.938 -19.394 1.00 74.10 H new ATOM 0 HG13 VAL A 104 0.693 -8.956 -19.119 1.00 74.10 H new ATOM 0 HG21 VAL A 104 -1.213 -10.829 -20.658 1.00 43.11 H new ATOM 0 HG22 VAL A 104 -1.201 -9.060 -20.855 1.00 43.11 H new ATOM 0 HG23 VAL A 104 -0.994 -10.114 -22.274 1.00 43.11 H new ATOM 1585 N ILE A 105 2.431 -7.197 -20.319 1.00 64.50 N ATOM 1586 CA ILE A 105 2.500 -6.010 -19.475 1.00 64.45 C ATOM 1587 C ILE A 105 2.815 -4.766 -20.299 1.00 25.40 C ATOM 1588 O ILE A 105 2.396 -3.659 -19.958 1.00 74.01 O ATOM 1589 CB ILE A 105 3.564 -6.164 -18.372 1.00 25.25 C ATOM 1590 CG1 ILE A 105 3.193 -7.315 -17.433 1.00 71.41 C ATOM 1591 CG2 ILE A 105 3.711 -4.866 -17.593 1.00 10.31 C ATOM 1592 CD1 ILE A 105 4.359 -7.828 -16.618 1.00 20.20 C ATOM 0 H ILE A 105 3.309 -7.710 -20.399 1.00 64.50 H new ATOM 0 HA ILE A 105 1.520 -5.897 -19.011 1.00 64.45 H new ATOM 0 HB ILE A 105 4.521 -6.395 -18.840 1.00 25.25 H new ATOM 0 HG12 ILE A 105 2.406 -6.982 -16.757 1.00 71.41 H new ATOM 0 HG13 ILE A 105 2.782 -8.135 -18.021 1.00 71.41 H new ATOM 0 HG21 ILE A 105 4.466 -4.991 -16.817 1.00 10.31 H new ATOM 0 HG22 ILE A 105 4.015 -4.068 -18.270 1.00 10.31 H new ATOM 0 HG23 ILE A 105 2.757 -4.608 -17.133 1.00 10.31 H new ATOM 0 HD11 ILE A 105 4.024 -8.642 -15.976 1.00 20.20 H new ATOM 0 HD12 ILE A 105 5.139 -8.192 -17.287 1.00 20.20 H new ATOM 0 HD13 ILE A 105 4.756 -7.021 -16.003 1.00 20.20 H new