USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 801 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 20 MET CE :methyl 143:sc= -2.34! (180deg=-5.17!) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc=-0.00562 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00191 USER MOD Single : A 11 GLN : amide:sc= -0.0663 X(o=-0.066,f=-0.067) USER MOD Single : A 16 TYR OH : rot 110:sc= -2.06 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0249 X(o=-0.025,f=-0.035) USER MOD Single : A 29 ASN : amide:sc= -0.0711 X(o=-0.071,f=-0.075) USER MOD Single : A 33 SER OG : rot 86:sc= 1.27 USER MOD Single : A 37 LYS NZ :NH3+ -170:sc= 1.25 (180deg=0.999) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0376 USER MOD Single : A 47 LYS NZ :NH3+ -137:sc= 1.25 (180deg=-0.0434) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 167:sc= 0 (180deg=-0.123) USER MOD Single : A 65 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0375) USER MOD Single : A 70 SER OG : rot 180:sc= 0.00796 USER MOD Single : A 73 ASN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 75 THR OG1 : rot 73:sc= 0.553 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 167:sc= -0.0782 (180deg=-0.376) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 88 LYS NZ :NH3+ -164:sc= -0.0158 (180deg=-0.209) USER MOD Single : A 90 HIS : no HD1:sc=-0.000491 X(o=-0.00049,f=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0.485 K(o=0.48,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 91 N TYR A 7 3.182 -12.307 9.347 1.00 75.43 N ATOM 92 CA TYR A 7 1.913 -12.210 8.643 1.00 20.23 C ATOM 93 C TYR A 7 2.088 -11.579 7.266 1.00 25.14 C ATOM 94 O TYR A 7 3.104 -10.939 6.985 1.00 34.31 O ATOM 95 CB TYR A 7 0.882 -11.437 9.476 1.00 63.14 C ATOM 96 CG TYR A 7 1.394 -10.144 10.076 1.00 63.03 C ATOM 97 CD1 TYR A 7 1.348 -8.951 9.365 1.00 31.31 C ATOM 98 CD2 TYR A 7 1.911 -10.116 11.366 1.00 0.20 C ATOM 99 CE1 TYR A 7 1.804 -7.771 9.919 1.00 32.35 C ATOM 100 CE2 TYR A 7 2.367 -8.939 11.929 1.00 33.12 C ATOM 101 CZ TYR A 7 2.312 -7.770 11.203 1.00 34.25 C ATOM 102 OH TYR A 7 2.761 -6.594 11.761 1.00 25.42 O ATOM 0 HA TYR A 7 1.538 -13.223 8.496 1.00 20.23 H new ATOM 0 HB2 TYR A 7 0.021 -11.214 8.847 1.00 63.14 H new ATOM 0 HB3 TYR A 7 0.530 -12.081 10.282 1.00 63.14 H new ATOM 0 HD1 TYR A 7 0.949 -8.946 8.362 1.00 31.31 H new ATOM 0 HD2 TYR A 7 1.957 -11.030 11.939 1.00 0.20 H new ATOM 0 HE1 TYR A 7 1.763 -6.853 9.351 1.00 32.35 H new ATOM 0 HE2 TYR A 7 2.764 -8.936 12.933 1.00 33.12 H new ATOM 0 HH TYR A 7 3.086 -6.766 12.670 1.00 25.42 H new ATOM 112 N THR A 8 1.092 -11.771 6.415 1.00 4.01 N ATOM 113 CA THR A 8 1.157 -11.323 5.034 1.00 52.14 C ATOM 114 C THR A 8 0.760 -9.857 4.890 1.00 53.22 C ATOM 115 O THR A 8 0.383 -9.198 5.865 1.00 23.24 O ATOM 116 CB THR A 8 0.236 -12.180 4.147 1.00 54.12 C ATOM 117 OG1 THR A 8 -1.097 -12.156 4.677 1.00 11.44 O ATOM 118 CG2 THR A 8 0.737 -13.615 4.075 1.00 42.15 C ATOM 0 H THR A 8 0.220 -12.240 6.661 1.00 4.01 H new ATOM 0 HA THR A 8 2.193 -11.433 4.713 1.00 52.14 H new ATOM 0 HB THR A 8 0.238 -11.765 3.139 1.00 54.12 H new ATOM 0 HG1 THR A 8 -1.684 -12.700 4.111 1.00 11.44 H new ATOM 0 HG21 THR A 8 0.071 -14.202 3.443 1.00 42.15 H new ATOM 0 HG22 THR A 8 1.742 -13.629 3.654 1.00 42.15 H new ATOM 0 HG23 THR A 8 0.758 -14.044 5.077 1.00 42.15 H new ATOM 126 N VAL A 9 0.837 -9.363 3.658 1.00 15.21 N ATOM 127 CA VAL A 9 0.466 -7.990 3.334 1.00 41.32 C ATOM 128 C VAL A 9 -0.990 -7.701 3.712 1.00 42.44 C ATOM 129 O VAL A 9 -1.318 -6.603 4.168 1.00 21.10 O ATOM 130 CB VAL A 9 0.690 -7.709 1.826 1.00 33.52 C ATOM 131 CG1 VAL A 9 0.014 -8.768 0.968 1.00 24.40 C ATOM 132 CG2 VAL A 9 0.196 -6.322 1.436 1.00 14.31 C ATOM 0 H VAL A 9 1.159 -9.904 2.856 1.00 15.21 H new ATOM 0 HA VAL A 9 1.105 -7.328 3.918 1.00 41.32 H new ATOM 0 HB VAL A 9 1.764 -7.748 1.646 1.00 33.52 H new ATOM 0 HG11 VAL A 9 0.186 -8.547 -0.085 1.00 24.40 H new ATOM 0 HG12 VAL A 9 0.428 -9.748 1.206 1.00 24.40 H new ATOM 0 HG13 VAL A 9 -1.058 -8.769 1.168 1.00 24.40 H new ATOM 0 HG21 VAL A 9 0.369 -6.160 0.372 1.00 14.31 H new ATOM 0 HG22 VAL A 9 -0.871 -6.243 1.646 1.00 14.31 H new ATOM 0 HG23 VAL A 9 0.735 -5.569 2.010 1.00 14.31 H new ATOM 142 N ALA A 10 -1.847 -8.705 3.560 1.00 62.51 N ATOM 143 CA ALA A 10 -3.271 -8.547 3.822 1.00 63.14 C ATOM 144 C ALA A 10 -3.536 -8.239 5.292 1.00 21.14 C ATOM 145 O ALA A 10 -4.447 -7.480 5.620 1.00 35.44 O ATOM 146 CB ALA A 10 -4.020 -9.800 3.401 1.00 3.45 C ATOM 0 H ALA A 10 -1.578 -9.640 3.255 1.00 62.51 H new ATOM 0 HA ALA A 10 -3.631 -7.701 3.236 1.00 63.14 H new ATOM 0 HB1 ALA A 10 -5.084 -9.672 3.601 1.00 3.45 H new ATOM 0 HB2 ALA A 10 -3.869 -9.973 2.336 1.00 3.45 H new ATOM 0 HB3 ALA A 10 -3.645 -10.655 3.964 1.00 3.45 H new ATOM 152 N GLN A 11 -2.730 -8.821 6.171 1.00 43.33 N ATOM 153 CA GLN A 11 -2.902 -8.621 7.602 1.00 64.52 C ATOM 154 C GLN A 11 -2.297 -7.290 8.030 1.00 32.13 C ATOM 155 O GLN A 11 -2.824 -6.612 8.912 1.00 41.13 O ATOM 156 CB GLN A 11 -2.255 -9.764 8.385 1.00 34.12 C ATOM 157 CG GLN A 11 -2.756 -11.145 7.985 1.00 50.10 C ATOM 158 CD GLN A 11 -4.263 -11.286 8.110 1.00 64.03 C ATOM 159 OE1 GLN A 11 -5.001 -11.025 7.163 1.00 42.43 O ATOM 160 NE2 GLN A 11 -4.728 -11.703 9.276 1.00 72.14 N ATOM 0 H GLN A 11 -1.954 -9.433 5.918 1.00 43.33 H new ATOM 0 HA GLN A 11 -3.970 -8.608 7.819 1.00 64.52 H new ATOM 0 HB2 GLN A 11 -1.175 -9.724 8.242 1.00 34.12 H new ATOM 0 HB3 GLN A 11 -2.441 -9.614 9.448 1.00 34.12 H new ATOM 0 HG2 GLN A 11 -2.461 -11.349 6.956 1.00 50.10 H new ATOM 0 HG3 GLN A 11 -2.273 -11.896 8.610 1.00 50.10 H new ATOM 0 HE21 GLN A 11 -4.082 -11.909 10.038 1.00 72.14 H new ATOM 0 HE22 GLN A 11 -5.732 -11.818 9.413 1.00 72.14 H new ATOM 169 N LEU A 12 -1.193 -6.918 7.389 1.00 64.11 N ATOM 170 CA LEU A 12 -0.507 -5.668 7.702 1.00 52.04 C ATOM 171 C LEU A 12 -1.398 -4.468 7.399 1.00 24.53 C ATOM 172 O LEU A 12 -1.431 -3.501 8.160 1.00 12.41 O ATOM 173 CB LEU A 12 0.799 -5.561 6.907 1.00 14.24 C ATOM 174 CG LEU A 12 1.621 -4.293 7.163 1.00 74.52 C ATOM 175 CD1 LEU A 12 2.097 -4.241 8.608 1.00 44.55 C ATOM 176 CD2 LEU A 12 2.805 -4.230 6.213 1.00 1.45 C ATOM 0 H LEU A 12 -0.754 -7.465 6.649 1.00 64.11 H new ATOM 0 HA LEU A 12 -0.276 -5.668 8.767 1.00 52.04 H new ATOM 0 HB2 LEU A 12 1.418 -6.428 7.139 1.00 14.24 H new ATOM 0 HB3 LEU A 12 0.563 -5.613 5.844 1.00 14.24 H new ATOM 0 HG LEU A 12 0.982 -3.429 6.983 1.00 74.52 H new ATOM 0 HD11 LEU A 12 2.678 -3.333 8.767 1.00 44.55 H new ATOM 0 HD12 LEU A 12 1.235 -4.242 9.275 1.00 44.55 H new ATOM 0 HD13 LEU A 12 2.719 -5.111 8.818 1.00 44.55 H new ATOM 0 HD21 LEU A 12 3.379 -3.324 6.407 1.00 1.45 H new ATOM 0 HD22 LEU A 12 3.441 -5.102 6.366 1.00 1.45 H new ATOM 0 HD23 LEU A 12 2.446 -4.219 5.184 1.00 1.45 H new ATOM 188 N ALA A 13 -2.125 -4.549 6.291 1.00 21.33 N ATOM 189 CA ALA A 13 -3.011 -3.474 5.863 1.00 65.14 C ATOM 190 C ALA A 13 -4.073 -3.172 6.919 1.00 52.11 C ATOM 191 O ALA A 13 -4.318 -2.012 7.255 1.00 65.21 O ATOM 192 CB ALA A 13 -3.667 -3.841 4.540 1.00 13.45 C ATOM 0 H ALA A 13 -2.117 -5.356 5.668 1.00 21.33 H new ATOM 0 HA ALA A 13 -2.413 -2.573 5.730 1.00 65.14 H new ATOM 0 HB1 ALA A 13 -4.328 -3.034 4.225 1.00 13.45 H new ATOM 0 HB2 ALA A 13 -2.898 -3.996 3.783 1.00 13.45 H new ATOM 0 HB3 ALA A 13 -4.246 -4.757 4.662 1.00 13.45 H new ATOM 198 N ASP A 14 -4.690 -4.220 7.453 1.00 20.23 N ATOM 199 CA ASP A 14 -5.756 -4.052 8.436 1.00 62.35 C ATOM 200 C ASP A 14 -5.189 -3.585 9.771 1.00 52.14 C ATOM 201 O ASP A 14 -5.815 -2.801 10.487 1.00 51.23 O ATOM 202 CB ASP A 14 -6.528 -5.356 8.623 1.00 22.04 C ATOM 203 CG ASP A 14 -7.782 -5.164 9.451 1.00 63.24 C ATOM 204 OD1 ASP A 14 -8.810 -4.734 8.884 1.00 0.12 O ATOM 205 OD2 ASP A 14 -7.753 -5.444 10.667 1.00 54.32 O ATOM 0 H ASP A 14 -4.473 -5.190 7.224 1.00 20.23 H new ATOM 0 HA ASP A 14 -6.441 -3.291 8.063 1.00 62.35 H new ATOM 0 HB2 ASP A 14 -6.797 -5.760 7.647 1.00 22.04 H new ATOM 0 HB3 ASP A 14 -5.885 -6.091 9.106 1.00 22.04 H new ATOM 210 N GLU A 15 -3.997 -4.067 10.093 1.00 12.12 N ATOM 211 CA GLU A 15 -3.298 -3.663 11.307 1.00 74.21 C ATOM 212 C GLU A 15 -2.961 -2.174 11.247 1.00 11.31 C ATOM 213 O GLU A 15 -3.159 -1.438 12.213 1.00 73.22 O ATOM 214 CB GLU A 15 -2.020 -4.497 11.456 1.00 2.43 C ATOM 215 CG GLU A 15 -1.189 -4.175 12.689 1.00 61.54 C ATOM 216 CD GLU A 15 -1.899 -4.521 13.982 1.00 15.04 C ATOM 217 OE1 GLU A 15 -2.545 -5.587 14.049 1.00 42.21 O ATOM 218 OE2 GLU A 15 -1.787 -3.742 14.952 1.00 13.01 O ATOM 0 H GLU A 15 -3.489 -4.745 9.525 1.00 12.12 H new ATOM 0 HA GLU A 15 -3.939 -3.834 12.172 1.00 74.21 H new ATOM 0 HB2 GLU A 15 -2.292 -5.552 11.484 1.00 2.43 H new ATOM 0 HB3 GLU A 15 -1.402 -4.351 10.570 1.00 2.43 H new ATOM 0 HG2 GLU A 15 -0.247 -4.721 12.640 1.00 61.54 H new ATOM 0 HG3 GLU A 15 -0.942 -3.113 12.688 1.00 61.54 H new ATOM 225 N TYR A 16 -2.464 -1.744 10.093 1.00 55.40 N ATOM 226 CA TYR A 16 -2.109 -0.349 9.870 1.00 33.43 C ATOM 227 C TYR A 16 -3.335 0.556 9.990 1.00 21.22 C ATOM 228 O TYR A 16 -3.244 1.685 10.487 1.00 50.42 O ATOM 229 CB TYR A 16 -1.466 -0.196 8.488 1.00 65.13 C ATOM 230 CG TYR A 16 -1.152 1.231 8.096 1.00 14.30 C ATOM 231 CD1 TYR A 16 -0.119 1.931 8.709 1.00 12.24 C ATOM 232 CD2 TYR A 16 -1.883 1.875 7.105 1.00 51.35 C ATOM 233 CE1 TYR A 16 0.172 3.231 8.346 1.00 5.02 C ATOM 234 CE2 TYR A 16 -1.598 3.175 6.738 1.00 52.22 C ATOM 235 CZ TYR A 16 -0.570 3.847 7.361 1.00 43.12 C ATOM 236 OH TYR A 16 -0.282 5.142 6.998 1.00 75.10 O ATOM 0 H TYR A 16 -2.297 -2.350 9.290 1.00 55.40 H new ATOM 0 HA TYR A 16 -1.395 -0.046 10.635 1.00 33.43 H new ATOM 0 HB2 TYR A 16 -0.544 -0.777 8.464 1.00 65.13 H new ATOM 0 HB3 TYR A 16 -2.133 -0.626 7.741 1.00 65.13 H new ATOM 0 HD1 TYR A 16 0.465 1.451 9.481 1.00 12.24 H new ATOM 0 HD2 TYR A 16 -2.688 1.349 6.613 1.00 51.35 H new ATOM 0 HE1 TYR A 16 0.977 3.763 8.831 1.00 5.02 H new ATOM 0 HE2 TYR A 16 -2.177 3.662 5.967 1.00 52.22 H new ATOM 0 HH TYR A 16 0.108 5.151 6.099 1.00 75.10 H new ATOM 246 N PHE A 17 -4.479 0.045 9.546 1.00 51.22 N ATOM 247 CA PHE A 17 -5.724 0.803 9.559 1.00 54.50 C ATOM 248 C PHE A 17 -6.096 1.210 10.985 1.00 3.34 C ATOM 249 O PHE A 17 -6.311 2.387 11.263 1.00 44.14 O ATOM 250 CB PHE A 17 -6.851 -0.032 8.935 1.00 12.41 C ATOM 251 CG PHE A 17 -8.136 0.721 8.723 1.00 13.40 C ATOM 252 CD1 PHE A 17 -8.344 1.442 7.560 1.00 34.11 C ATOM 253 CD2 PHE A 17 -9.140 0.700 9.679 1.00 64.15 C ATOM 254 CE1 PHE A 17 -9.524 2.128 7.353 1.00 43.32 C ATOM 255 CE2 PHE A 17 -10.324 1.383 9.476 1.00 55.22 C ATOM 256 CZ PHE A 17 -10.516 2.099 8.311 1.00 33.42 C ATOM 0 H PHE A 17 -4.569 -0.899 9.170 1.00 51.22 H new ATOM 0 HA PHE A 17 -5.584 1.710 8.971 1.00 54.50 H new ATOM 0 HB2 PHE A 17 -6.510 -0.422 7.976 1.00 12.41 H new ATOM 0 HB3 PHE A 17 -7.049 -0.891 9.576 1.00 12.41 H new ATOM 0 HD1 PHE A 17 -7.573 1.468 6.804 1.00 34.11 H new ATOM 0 HD2 PHE A 17 -8.995 0.143 10.593 1.00 64.15 H new ATOM 0 HE1 PHE A 17 -9.670 2.687 6.441 1.00 43.32 H new ATOM 0 HE2 PHE A 17 -11.099 1.357 10.228 1.00 55.22 H new ATOM 0 HZ PHE A 17 -11.440 2.635 8.150 1.00 33.42 H new ATOM 266 N GLU A 18 -6.123 0.241 11.893 1.00 13.41 N ATOM 267 CA GLU A 18 -6.542 0.492 13.273 1.00 73.05 C ATOM 268 C GLU A 18 -5.621 1.475 13.987 1.00 4.21 C ATOM 269 O GLU A 18 -6.019 2.113 14.957 1.00 1.41 O ATOM 270 CB GLU A 18 -6.609 -0.813 14.067 1.00 41.55 C ATOM 271 CG GLU A 18 -7.737 -1.727 13.631 1.00 53.54 C ATOM 272 CD GLU A 18 -8.084 -2.771 14.674 1.00 24.13 C ATOM 273 OE1 GLU A 18 -7.707 -2.596 15.855 1.00 65.03 O ATOM 274 OE2 GLU A 18 -8.754 -3.765 14.321 1.00 22.30 O ATOM 0 H GLU A 18 -5.861 -0.726 11.702 1.00 13.41 H new ATOM 0 HA GLU A 18 -7.535 0.938 13.220 1.00 73.05 H new ATOM 0 HB2 GLU A 18 -5.662 -1.342 13.962 1.00 41.55 H new ATOM 0 HB3 GLU A 18 -6.729 -0.580 15.125 1.00 41.55 H new ATOM 0 HG2 GLU A 18 -8.621 -1.128 13.415 1.00 53.54 H new ATOM 0 HG3 GLU A 18 -7.456 -2.226 12.703 1.00 53.54 H new ATOM 281 N ARG A 19 -4.397 1.603 13.505 1.00 54.13 N ATOM 282 CA ARG A 19 -3.410 2.438 14.170 1.00 0.15 C ATOM 283 C ARG A 19 -3.594 3.905 13.821 1.00 63.20 C ATOM 284 O ARG A 19 -3.764 4.749 14.703 1.00 54.23 O ATOM 285 CB ARG A 19 -1.998 1.979 13.799 1.00 51.25 C ATOM 286 CG ARG A 19 -1.747 0.527 14.159 1.00 25.54 C ATOM 287 CD ARG A 19 -2.110 0.270 15.607 1.00 21.13 C ATOM 288 NE ARG A 19 -2.325 -1.147 15.879 1.00 63.32 N ATOM 289 CZ ARG A 19 -3.073 -1.600 16.881 1.00 0.21 C ATOM 290 NH1 ARG A 19 -3.573 -0.762 17.780 1.00 73.44 N ATOM 291 NH2 ARG A 19 -3.297 -2.898 16.990 1.00 63.33 N ATOM 0 H ARG A 19 -4.063 1.142 12.659 1.00 54.13 H new ATOM 0 HA ARG A 19 -3.552 2.332 15.246 1.00 0.15 H new ATOM 0 HB2 ARG A 19 -1.844 2.117 12.729 1.00 51.25 H new ATOM 0 HB3 ARG A 19 -1.269 2.608 14.310 1.00 51.25 H new ATOM 0 HG2 ARG A 19 -2.335 -0.122 13.510 1.00 25.54 H new ATOM 0 HG3 ARG A 19 -0.699 0.280 13.991 1.00 25.54 H new ATOM 0 HD2 ARG A 19 -1.315 0.645 16.251 1.00 21.13 H new ATOM 0 HD3 ARG A 19 -3.013 0.827 15.858 1.00 21.13 H new ATOM 0 HE ARG A 19 -1.877 -1.828 15.267 1.00 63.32 H new ATOM 0 HH11 ARG A 19 -3.385 0.238 17.706 1.00 73.44 H new ATOM 0 HH12 ARG A 19 -4.146 -1.117 18.545 1.00 73.44 H new ATOM 0 HH21 ARG A 19 -2.897 -3.543 16.309 1.00 63.33 H new ATOM 0 HH22 ARG A 19 -3.869 -3.254 17.755 1.00 63.33 H new ATOM 305 N MET A 20 -3.570 4.201 12.535 1.00 30.35 N ATOM 306 CA MET A 20 -3.585 5.589 12.076 1.00 42.04 C ATOM 307 C MET A 20 -5.004 6.139 11.964 1.00 44.10 C ATOM 308 O MET A 20 -5.228 7.335 12.155 1.00 22.35 O ATOM 309 CB MET A 20 -2.879 5.699 10.724 1.00 61.15 C ATOM 310 CG MET A 20 -1.441 5.189 10.721 1.00 52.12 C ATOM 311 SD MET A 20 -0.261 6.296 11.535 1.00 53.05 S ATOM 312 CE MET A 20 -0.677 6.099 13.267 1.00 22.54 C ATOM 0 H MET A 20 -3.540 3.507 11.788 1.00 30.35 H new ATOM 0 HA MET A 20 -3.056 6.186 12.819 1.00 42.04 H new ATOM 0 HB2 MET A 20 -3.451 5.141 9.983 1.00 61.15 H new ATOM 0 HB3 MET A 20 -2.882 6.743 10.410 1.00 61.15 H new ATOM 0 HG2 MET A 20 -1.411 4.217 11.214 1.00 52.12 H new ATOM 0 HG3 MET A 20 -1.124 5.033 9.690 1.00 52.12 H new ATOM 0 HE1 MET A 20 0.234 6.128 13.865 1.00 22.54 H new ATOM 0 HE2 MET A 20 -1.340 6.907 13.576 1.00 22.54 H new ATOM 0 HE3 MET A 20 -1.178 5.142 13.414 1.00 22.54 H new ATOM 322 N ILE A 21 -5.964 5.263 11.700 1.00 63.23 N ATOM 323 CA ILE A 21 -7.350 5.682 11.506 1.00 53.21 C ATOM 324 C ILE A 21 -8.028 5.913 12.860 1.00 72.22 C ATOM 325 O ILE A 21 -9.139 6.437 12.943 1.00 70.35 O ATOM 326 CB ILE A 21 -8.121 4.634 10.657 1.00 52.21 C ATOM 327 CG1 ILE A 21 -7.420 4.451 9.306 1.00 14.10 C ATOM 328 CG2 ILE A 21 -9.580 5.025 10.438 1.00 72.41 C ATOM 329 CD1 ILE A 21 -7.286 5.728 8.502 1.00 12.50 C ATOM 0 H ILE A 21 -5.811 4.258 11.615 1.00 63.23 H new ATOM 0 HA ILE A 21 -7.361 6.625 10.959 1.00 53.21 H new ATOM 0 HB ILE A 21 -8.118 3.695 11.211 1.00 52.21 H new ATOM 0 HG12 ILE A 21 -6.427 4.036 9.477 1.00 14.10 H new ATOM 0 HG13 ILE A 21 -7.974 3.720 8.717 1.00 14.10 H new ATOM 0 HG21 ILE A 21 -10.076 4.261 9.839 1.00 72.41 H new ATOM 0 HG22 ILE A 21 -10.082 5.113 11.402 1.00 72.41 H new ATOM 0 HG23 ILE A 21 -9.626 5.981 9.916 1.00 72.41 H new ATOM 0 HD11 ILE A 21 -6.780 5.514 7.561 1.00 12.50 H new ATOM 0 HD12 ILE A 21 -8.276 6.135 8.297 1.00 12.50 H new ATOM 0 HD13 ILE A 21 -6.705 6.456 9.069 1.00 12.50 H new ATOM 341 N ALA A 22 -7.333 5.545 13.930 1.00 15.34 N ATOM 342 CA ALA A 22 -7.822 5.803 15.278 1.00 54.51 C ATOM 343 C ALA A 22 -7.422 7.202 15.738 1.00 22.31 C ATOM 344 O ALA A 22 -7.872 7.677 16.781 1.00 33.21 O ATOM 345 CB ALA A 22 -7.291 4.755 16.243 1.00 31.32 C ATOM 0 H ALA A 22 -6.432 5.069 13.890 1.00 15.34 H new ATOM 0 HA ALA A 22 -8.910 5.745 15.265 1.00 54.51 H new ATOM 0 HB1 ALA A 22 -7.665 4.961 17.246 1.00 31.32 H new ATOM 0 HB2 ALA A 22 -7.625 3.767 15.927 1.00 31.32 H new ATOM 0 HB3 ALA A 22 -6.201 4.785 16.249 1.00 31.32 H new ATOM 351 N GLY A 23 -6.580 7.859 14.949 1.00 63.43 N ATOM 352 CA GLY A 23 -6.104 9.181 15.305 1.00 64.10 C ATOM 353 C GLY A 23 -6.567 10.248 14.333 1.00 24.42 C ATOM 354 O GLY A 23 -7.382 11.105 14.680 1.00 34.22 O ATOM 0 H GLY A 23 -6.218 7.498 14.067 1.00 63.43 H new ATOM 0 HA2 GLY A 23 -6.453 9.431 16.307 1.00 64.10 H new ATOM 0 HA3 GLY A 23 -5.015 9.174 15.339 1.00 64.10 H new ATOM 358 N ARG A 24 -6.046 10.193 13.113 1.00 65.40 N ATOM 359 CA ARG A 24 -6.409 11.144 12.069 1.00 35.20 C ATOM 360 C ARG A 24 -6.861 10.392 10.832 1.00 0.52 C ATOM 361 O ARG A 24 -6.054 10.016 9.982 1.00 60.03 O ATOM 362 CB ARG A 24 -5.232 12.066 11.731 1.00 41.13 C ATOM 363 CG ARG A 24 -5.497 13.529 12.049 1.00 53.50 C ATOM 364 CD ARG A 24 -5.796 13.730 13.524 1.00 24.31 C ATOM 365 NE ARG A 24 -6.144 15.116 13.832 1.00 24.03 N ATOM 366 CZ ARG A 24 -6.716 15.503 14.968 1.00 24.35 C ATOM 367 NH1 ARG A 24 -7.008 14.607 15.907 1.00 61.41 N ATOM 368 NH2 ARG A 24 -7.001 16.782 15.163 1.00 40.23 N ATOM 0 H ARG A 24 -5.364 9.493 12.821 1.00 65.40 H new ATOM 0 HA ARG A 24 -7.227 11.766 12.433 1.00 35.20 H new ATOM 0 HB2 ARG A 24 -4.352 11.736 12.283 1.00 41.13 H new ATOM 0 HB3 ARG A 24 -4.998 11.969 10.671 1.00 41.13 H new ATOM 0 HG2 ARG A 24 -4.630 14.127 11.767 1.00 53.50 H new ATOM 0 HG3 ARG A 24 -6.338 13.886 11.454 1.00 53.50 H new ATOM 0 HD2 ARG A 24 -6.617 13.077 13.819 1.00 24.31 H new ATOM 0 HD3 ARG A 24 -4.927 13.436 14.113 1.00 24.31 H new ATOM 0 HE ARG A 24 -5.935 15.829 13.133 1.00 24.03 H new ATOM 0 HH11 ARG A 24 -6.793 13.621 15.756 1.00 61.41 H new ATOM 0 HH12 ARG A 24 -7.447 14.906 16.778 1.00 61.41 H new ATOM 0 HH21 ARG A 24 -6.782 17.469 14.442 1.00 40.23 H new ATOM 0 HH22 ARG A 24 -7.440 17.080 16.034 1.00 40.23 H new ATOM 382 N TRP A 25 -8.156 10.157 10.752 1.00 12.22 N ATOM 383 CA TRP A 25 -8.713 9.308 9.716 1.00 44.43 C ATOM 384 C TRP A 25 -9.400 10.129 8.621 1.00 61.42 C ATOM 385 O TRP A 25 -9.201 9.871 7.434 1.00 12.22 O ATOM 386 CB TRP A 25 -9.696 8.315 10.346 1.00 54.25 C ATOM 387 CG TRP A 25 -10.963 8.942 10.849 1.00 51.31 C ATOM 388 CD1 TRP A 25 -12.170 8.897 10.234 1.00 55.20 C ATOM 389 CD2 TRP A 25 -11.150 9.720 12.041 1.00 31.32 C ATOM 390 NE1 TRP A 25 -13.105 9.586 10.959 1.00 64.14 N ATOM 391 CE2 TRP A 25 -12.505 10.103 12.076 1.00 45.30 C ATOM 392 CE3 TRP A 25 -10.312 10.127 13.081 1.00 54.13 C ATOM 393 CZ2 TRP A 25 -13.037 10.873 13.105 1.00 11.05 C ATOM 394 CZ3 TRP A 25 -10.842 10.892 14.103 1.00 72.42 C ATOM 395 CH2 TRP A 25 -12.194 11.258 14.109 1.00 10.44 C ATOM 0 H TRP A 25 -8.846 10.544 11.396 1.00 12.22 H new ATOM 0 HA TRP A 25 -7.898 8.761 9.242 1.00 44.43 H new ATOM 0 HB2 TRP A 25 -9.948 7.553 9.609 1.00 54.25 H new ATOM 0 HB3 TRP A 25 -9.202 7.806 11.174 1.00 54.25 H new ATOM 0 HD1 TRP A 25 -12.367 8.388 9.302 1.00 55.20 H new ATOM 0 HE1 TRP A 25 -14.088 9.696 10.708 1.00 64.14 H new ATOM 0 HE3 TRP A 25 -9.268 9.849 13.087 1.00 54.13 H new ATOM 0 HZ2 TRP A 25 -14.079 11.156 13.110 1.00 11.05 H new ATOM 0 HZ3 TRP A 25 -10.202 11.213 14.911 1.00 72.42 H new ATOM 0 HH2 TRP A 25 -12.577 11.856 14.923 1.00 10.44 H new ATOM 406 N LYS A 26 -10.213 11.106 9.039 1.00 64.20 N ATOM 407 CA LYS A 26 -10.925 12.016 8.131 1.00 22.35 C ATOM 408 C LYS A 26 -12.034 11.321 7.319 1.00 30.53 C ATOM 409 O LYS A 26 -13.154 11.822 7.258 1.00 13.51 O ATOM 410 CB LYS A 26 -9.936 12.736 7.206 1.00 70.11 C ATOM 411 CG LYS A 26 -8.925 13.584 7.967 1.00 5.11 C ATOM 412 CD LYS A 26 -7.967 14.310 7.036 1.00 25.10 C ATOM 413 CE LYS A 26 -7.132 13.344 6.213 1.00 63.23 C ATOM 414 NZ LYS A 26 -6.101 14.056 5.416 1.00 50.52 N ATOM 0 H LYS A 26 -10.398 11.290 10.025 1.00 64.20 H new ATOM 0 HA LYS A 26 -11.427 12.752 8.759 1.00 22.35 H new ATOM 0 HB2 LYS A 26 -9.405 11.998 6.605 1.00 70.11 H new ATOM 0 HB3 LYS A 26 -10.489 13.372 6.515 1.00 70.11 H new ATOM 0 HG2 LYS A 26 -9.454 14.313 8.581 1.00 5.11 H new ATOM 0 HG3 LYS A 26 -8.357 12.947 8.645 1.00 5.11 H new ATOM 0 HD2 LYS A 26 -8.533 14.960 6.368 1.00 25.10 H new ATOM 0 HD3 LYS A 26 -7.308 14.951 7.622 1.00 25.10 H new ATOM 0 HE2 LYS A 26 -6.649 12.625 6.874 1.00 63.23 H new ATOM 0 HE3 LYS A 26 -7.782 12.777 5.546 1.00 63.23 H new ATOM 0 HZ1 LYS A 26 -5.550 13.366 4.867 1.00 50.52 H new ATOM 0 HZ2 LYS A 26 -6.564 14.725 4.768 1.00 50.52 H new ATOM 0 HZ3 LYS A 26 -5.466 14.576 6.055 1.00 50.52 H new ATOM 428 N HIS A 27 -11.739 10.171 6.716 1.00 61.50 N ATOM 429 CA HIS A 27 -12.682 9.484 5.827 1.00 10.31 C ATOM 430 C HIS A 27 -12.454 7.976 5.892 1.00 32.55 C ATOM 431 O HIS A 27 -11.707 7.423 5.088 1.00 44.02 O ATOM 432 CB HIS A 27 -12.534 9.955 4.370 1.00 32.35 C ATOM 433 CG HIS A 27 -13.004 11.356 4.108 1.00 11.22 C ATOM 434 ND1 HIS A 27 -12.216 12.311 3.502 1.00 42.31 N ATOM 435 CD2 HIS A 27 -14.195 11.957 4.351 1.00 11.34 C ATOM 436 CE1 HIS A 27 -12.898 13.435 3.388 1.00 71.44 C ATOM 437 NE2 HIS A 27 -14.102 13.247 3.893 1.00 74.51 N ATOM 0 H HIS A 27 -10.847 9.689 6.827 1.00 61.50 H new ATOM 0 HA HIS A 27 -13.689 9.726 6.165 1.00 10.31 H new ATOM 0 HB2 HIS A 27 -11.485 9.880 4.084 1.00 32.35 H new ATOM 0 HB3 HIS A 27 -13.090 9.274 3.725 1.00 32.35 H new ATOM 0 HD2 HIS A 27 -15.057 11.504 4.818 1.00 11.34 H new ATOM 0 HE1 HIS A 27 -12.532 14.354 2.954 1.00 71.44 H new ATOM 0 HE2 HIS A 27 -14.843 13.947 3.936 1.00 74.51 H new ATOM 446 N PRO A 28 -13.096 7.294 6.851 1.00 24.15 N ATOM 447 CA PRO A 28 -12.812 5.884 7.162 1.00 73.50 C ATOM 448 C PRO A 28 -13.158 4.935 6.022 1.00 35.25 C ATOM 449 O PRO A 28 -12.302 4.189 5.544 1.00 53.24 O ATOM 450 CB PRO A 28 -13.700 5.588 8.376 1.00 1.24 C ATOM 451 CG PRO A 28 -14.133 6.921 8.882 1.00 22.32 C ATOM 452 CD PRO A 28 -14.170 7.830 7.693 1.00 20.40 C ATOM 0 HA PRO A 28 -11.747 5.733 7.341 1.00 73.50 H new ATOM 0 HB2 PRO A 28 -14.558 4.976 8.096 1.00 1.24 H new ATOM 0 HB3 PRO A 28 -13.151 5.037 9.140 1.00 1.24 H new ATOM 0 HG2 PRO A 28 -15.114 6.858 9.354 1.00 22.32 H new ATOM 0 HG3 PRO A 28 -13.440 7.295 9.636 1.00 22.32 H new ATOM 0 HD2 PRO A 28 -15.136 7.799 7.188 1.00 20.40 H new ATOM 0 HD3 PRO A 28 -13.989 8.868 7.970 1.00 20.40 H new ATOM 460 N ASN A 29 -14.408 4.974 5.574 1.00 33.22 N ATOM 461 CA ASN A 29 -14.858 4.091 4.503 1.00 43.33 C ATOM 462 C ASN A 29 -14.109 4.395 3.213 1.00 4.35 C ATOM 463 O ASN A 29 -13.852 3.501 2.407 1.00 73.12 O ATOM 464 CB ASN A 29 -16.372 4.215 4.282 1.00 24.22 C ATOM 465 CG ASN A 29 -16.789 5.578 3.759 1.00 14.30 C ATOM 466 OD1 ASN A 29 -16.868 5.795 2.550 1.00 1.10 O ATOM 467 ND2 ASN A 29 -17.072 6.503 4.664 1.00 11.43 N ATOM 0 H ASN A 29 -15.125 5.604 5.933 1.00 33.22 H new ATOM 0 HA ASN A 29 -14.643 3.065 4.801 1.00 43.33 H new ATOM 0 HB2 ASN A 29 -16.694 3.448 3.577 1.00 24.22 H new ATOM 0 HB3 ASN A 29 -16.887 4.020 5.223 1.00 24.22 H new ATOM 0 HD21 ASN A 29 -17.367 7.433 4.367 1.00 11.43 H new ATOM 0 HD22 ASN A 29 -16.995 6.285 5.657 1.00 11.43 H new ATOM 474 N ILE A 30 -13.736 5.656 3.039 1.00 12.23 N ATOM 475 CA ILE A 30 -13.015 6.088 1.853 1.00 15.45 C ATOM 476 C ILE A 30 -11.602 5.510 1.841 1.00 60.13 C ATOM 477 O ILE A 30 -11.204 4.845 0.884 1.00 64.52 O ATOM 478 CB ILE A 30 -12.943 7.630 1.766 1.00 55.24 C ATOM 479 CG1 ILE A 30 -14.355 8.231 1.715 1.00 11.44 C ATOM 480 CG2 ILE A 30 -12.128 8.072 0.555 1.00 1.42 C ATOM 481 CD1 ILE A 30 -15.172 7.776 0.524 1.00 1.54 C ATOM 0 H ILE A 30 -13.923 6.401 3.710 1.00 12.23 H new ATOM 0 HA ILE A 30 -13.563 5.718 0.987 1.00 15.45 H new ATOM 0 HB ILE A 30 -12.441 7.997 2.661 1.00 55.24 H new ATOM 0 HG12 ILE A 30 -14.885 7.966 2.630 1.00 11.44 H new ATOM 0 HG13 ILE A 30 -14.276 9.318 1.695 1.00 11.44 H new ATOM 0 HG21 ILE A 30 -12.093 9.161 0.518 1.00 1.42 H new ATOM 0 HG22 ILE A 30 -11.114 7.679 0.635 1.00 1.42 H new ATOM 0 HG23 ILE A 30 -12.593 7.692 -0.355 1.00 1.42 H new ATOM 0 HD11 ILE A 30 -16.156 8.243 0.558 1.00 1.54 H new ATOM 0 HD12 ILE A 30 -14.665 8.065 -0.397 1.00 1.54 H new ATOM 0 HD13 ILE A 30 -15.284 6.692 0.552 1.00 1.54 H new ATOM 493 N VAL A 31 -10.857 5.740 2.918 1.00 50.43 N ATOM 494 CA VAL A 31 -9.481 5.266 2.998 1.00 54.02 C ATOM 495 C VAL A 31 -9.433 3.735 3.004 1.00 64.32 C ATOM 496 O VAL A 31 -8.552 3.134 2.391 1.00 11.13 O ATOM 497 CB VAL A 31 -8.729 5.846 4.226 1.00 32.23 C ATOM 498 CG1 VAL A 31 -9.372 5.421 5.537 1.00 63.44 C ATOM 499 CG2 VAL A 31 -7.258 5.454 4.195 1.00 44.33 C ATOM 0 H VAL A 31 -11.181 6.248 3.741 1.00 50.43 H new ATOM 0 HA VAL A 31 -8.966 5.628 2.108 1.00 54.02 H new ATOM 0 HB VAL A 31 -8.799 6.932 4.166 1.00 32.23 H new ATOM 0 HG11 VAL A 31 -8.815 5.848 6.371 1.00 63.44 H new ATOM 0 HG12 VAL A 31 -10.402 5.776 5.569 1.00 63.44 H new ATOM 0 HG13 VAL A 31 -9.360 4.334 5.612 1.00 63.44 H new ATOM 0 HG21 VAL A 31 -6.752 5.872 5.065 1.00 44.33 H new ATOM 0 HG22 VAL A 31 -7.171 4.368 4.211 1.00 44.33 H new ATOM 0 HG23 VAL A 31 -6.797 5.842 3.286 1.00 44.33 H new ATOM 509 N ARG A 32 -10.409 3.105 3.661 1.00 63.13 N ATOM 510 CA ARG A 32 -10.513 1.659 3.677 1.00 54.12 C ATOM 511 C ARG A 32 -10.684 1.114 2.260 1.00 12.22 C ATOM 512 O ARG A 32 -10.040 0.133 1.893 1.00 4.43 O ATOM 513 CB ARG A 32 -11.681 1.227 4.573 1.00 52.20 C ATOM 514 CG ARG A 32 -11.983 -0.259 4.509 1.00 40.00 C ATOM 515 CD ARG A 32 -10.756 -1.095 4.826 1.00 11.02 C ATOM 516 NE ARG A 32 -10.501 -1.216 6.261 1.00 53.10 N ATOM 517 CZ ARG A 32 -10.025 -2.325 6.832 1.00 12.42 C ATOM 518 NH1 ARG A 32 -9.834 -3.419 6.105 1.00 72.43 N ATOM 519 NH2 ARG A 32 -9.775 -2.352 8.136 1.00 71.34 N ATOM 0 H ARG A 32 -11.138 3.584 4.189 1.00 63.13 H new ATOM 0 HA ARG A 32 -9.591 1.246 4.085 1.00 54.12 H new ATOM 0 HB2 ARG A 32 -11.456 1.499 5.604 1.00 52.20 H new ATOM 0 HB3 ARG A 32 -12.573 1.783 4.285 1.00 52.20 H new ATOM 0 HG2 ARG A 32 -12.779 -0.499 5.214 1.00 40.00 H new ATOM 0 HG3 ARG A 32 -12.350 -0.513 3.515 1.00 40.00 H new ATOM 0 HD2 ARG A 32 -10.882 -2.090 4.400 1.00 11.02 H new ATOM 0 HD3 ARG A 32 -9.886 -0.650 4.344 1.00 11.02 H new ATOM 0 HE ARG A 32 -10.697 -0.411 6.856 1.00 53.10 H new ATOM 0 HH11 ARG A 32 -10.051 -3.413 5.108 1.00 72.43 H new ATOM 0 HH12 ARG A 32 -9.470 -4.265 6.543 1.00 72.43 H new ATOM 0 HH21 ARG A 32 -9.947 -1.523 8.705 1.00 71.34 H new ATOM 0 HH22 ARG A 32 -9.411 -3.201 8.568 1.00 71.34 H new ATOM 533 N SER A 33 -11.524 1.774 1.466 1.00 5.31 N ATOM 534 CA SER A 33 -11.777 1.351 0.090 1.00 24.25 C ATOM 535 C SER A 33 -10.485 1.337 -0.727 1.00 23.13 C ATOM 536 O SER A 33 -10.333 0.541 -1.646 1.00 31.34 O ATOM 537 CB SER A 33 -12.797 2.279 -0.572 1.00 12.02 C ATOM 538 OG SER A 33 -14.035 2.264 0.122 1.00 24.40 O ATOM 0 H SER A 33 -12.042 2.605 1.752 1.00 5.31 H new ATOM 0 HA SER A 33 -12.178 0.338 0.119 1.00 24.25 H new ATOM 0 HB2 SER A 33 -12.404 3.295 -0.597 1.00 12.02 H new ATOM 0 HB3 SER A 33 -12.954 1.972 -1.606 1.00 12.02 H new ATOM 0 HG SER A 33 -14.006 2.911 0.857 1.00 24.40 H new ATOM 544 N ARG A 34 -9.562 2.230 -0.392 1.00 24.32 N ATOM 545 CA ARG A 34 -8.271 2.280 -1.069 1.00 40.42 C ATOM 546 C ARG A 34 -7.343 1.203 -0.517 1.00 34.23 C ATOM 547 O ARG A 34 -6.661 0.516 -1.266 1.00 42.22 O ATOM 548 CB ARG A 34 -7.623 3.666 -0.922 1.00 3.23 C ATOM 549 CG ARG A 34 -8.142 4.721 -1.899 1.00 70.23 C ATOM 550 CD ARG A 34 -9.655 4.867 -1.836 1.00 33.24 C ATOM 551 NE ARG A 34 -10.133 6.087 -2.492 1.00 61.24 N ATOM 552 CZ ARG A 34 -11.137 6.118 -3.372 1.00 34.22 C ATOM 553 NH1 ARG A 34 -11.669 4.989 -3.826 1.00 4.22 N ATOM 554 NH2 ARG A 34 -11.591 7.279 -3.828 1.00 40.22 N ATOM 0 H ARG A 34 -9.682 2.928 0.342 1.00 24.32 H new ATOM 0 HA ARG A 34 -8.438 2.094 -2.130 1.00 40.42 H new ATOM 0 HB2 ARG A 34 -7.785 4.022 0.095 1.00 3.23 H new ATOM 0 HB3 ARG A 34 -6.546 3.565 -1.056 1.00 3.23 H new ATOM 0 HG2 ARG A 34 -7.676 5.681 -1.676 1.00 70.23 H new ATOM 0 HG3 ARG A 34 -7.846 4.452 -2.913 1.00 70.23 H new ATOM 0 HD2 ARG A 34 -10.119 4.000 -2.307 1.00 33.24 H new ATOM 0 HD3 ARG A 34 -9.972 4.872 -0.793 1.00 33.24 H new ATOM 0 HE ARG A 34 -9.670 6.967 -2.262 1.00 61.24 H new ATOM 0 HH11 ARG A 34 -11.311 4.090 -3.503 1.00 4.22 H new ATOM 0 HH12 ARG A 34 -12.436 5.021 -4.498 1.00 4.22 H new ATOM 0 HH21 ARG A 34 -11.173 8.152 -3.506 1.00 40.22 H new ATOM 0 HH22 ARG A 34 -12.358 7.298 -4.500 1.00 40.22 H new ATOM 568 N ILE A 35 -7.344 1.043 0.799 1.00 23.21 N ATOM 569 CA ILE A 35 -6.467 0.079 1.454 1.00 51.54 C ATOM 570 C ILE A 35 -6.777 -1.357 1.021 1.00 24.34 C ATOM 571 O ILE A 35 -5.877 -2.107 0.653 1.00 1.41 O ATOM 572 CB ILE A 35 -6.559 0.193 2.994 1.00 43.24 C ATOM 573 CG1 ILE A 35 -6.002 1.545 3.453 1.00 43.41 C ATOM 574 CG2 ILE A 35 -5.812 -0.952 3.669 1.00 33.13 C ATOM 575 CD1 ILE A 35 -6.064 1.759 4.950 1.00 11.24 C ATOM 0 H ILE A 35 -7.943 1.568 1.436 1.00 23.21 H new ATOM 0 HA ILE A 35 -5.450 0.318 1.143 1.00 51.54 H new ATOM 0 HB ILE A 35 -7.607 0.127 3.285 1.00 43.24 H new ATOM 0 HG12 ILE A 35 -4.965 1.629 3.127 1.00 43.41 H new ATOM 0 HG13 ILE A 35 -6.557 2.342 2.959 1.00 43.41 H new ATOM 0 HG21 ILE A 35 -5.891 -0.850 4.751 1.00 33.13 H new ATOM 0 HG22 ILE A 35 -6.248 -1.902 3.361 1.00 33.13 H new ATOM 0 HG23 ILE A 35 -4.762 -0.923 3.378 1.00 33.13 H new ATOM 0 HD11 ILE A 35 -5.652 2.738 5.195 1.00 11.24 H new ATOM 0 HD12 ILE A 35 -7.101 1.709 5.282 1.00 11.24 H new ATOM 0 HD13 ILE A 35 -5.484 0.985 5.453 1.00 11.24 H new ATOM 587 N GLU A 36 -8.048 -1.732 1.037 1.00 5.44 N ATOM 588 CA GLU A 36 -8.416 -3.117 0.770 1.00 24.14 C ATOM 589 C GLU A 36 -8.477 -3.416 -0.731 1.00 73.11 C ATOM 590 O GLU A 36 -8.605 -4.571 -1.134 1.00 61.52 O ATOM 591 CB GLU A 36 -9.739 -3.467 1.475 1.00 2.32 C ATOM 592 CG GLU A 36 -10.945 -2.635 1.053 1.00 52.11 C ATOM 593 CD GLU A 36 -11.605 -3.136 -0.215 1.00 54.02 C ATOM 594 OE1 GLU A 36 -11.679 -4.368 -0.404 1.00 52.33 O ATOM 595 OE2 GLU A 36 -12.057 -2.300 -1.022 1.00 65.34 O ATOM 0 H GLU A 36 -8.832 -1.108 1.229 1.00 5.44 H new ATOM 0 HA GLU A 36 -7.633 -3.755 1.180 1.00 24.14 H new ATOM 0 HB2 GLU A 36 -9.962 -4.518 1.291 1.00 2.32 H new ATOM 0 HB3 GLU A 36 -9.599 -3.354 2.550 1.00 2.32 H new ATOM 0 HG2 GLU A 36 -11.678 -2.635 1.860 1.00 52.11 H new ATOM 0 HG3 GLU A 36 -10.631 -1.601 0.907 1.00 52.11 H new ATOM 602 N LYS A 37 -8.372 -2.381 -1.552 1.00 13.14 N ATOM 603 CA LYS A 37 -8.424 -2.555 -3.000 1.00 24.31 C ATOM 604 C LYS A 37 -7.063 -2.302 -3.658 1.00 2.41 C ATOM 605 O LYS A 37 -6.607 -3.103 -4.475 1.00 5.44 O ATOM 606 CB LYS A 37 -9.515 -1.655 -3.596 1.00 63.23 C ATOM 607 CG LYS A 37 -9.438 -1.476 -5.105 1.00 63.14 C ATOM 608 CD LYS A 37 -8.751 -0.167 -5.455 1.00 51.14 C ATOM 609 CE LYS A 37 -8.483 -0.042 -6.942 1.00 22.43 C ATOM 610 NZ LYS A 37 -7.915 1.290 -7.282 1.00 22.30 N ATOM 0 H LYS A 37 -8.251 -1.416 -1.244 1.00 13.14 H new ATOM 0 HA LYS A 37 -8.678 -3.594 -3.208 1.00 24.31 H new ATOM 0 HB2 LYS A 37 -10.490 -2.072 -3.343 1.00 63.23 H new ATOM 0 HB3 LYS A 37 -9.456 -0.674 -3.124 1.00 63.23 H new ATOM 0 HG2 LYS A 37 -8.892 -2.309 -5.548 1.00 63.14 H new ATOM 0 HG3 LYS A 37 -10.442 -1.491 -5.530 1.00 63.14 H new ATOM 0 HD2 LYS A 37 -9.373 0.667 -5.128 1.00 51.14 H new ATOM 0 HD3 LYS A 37 -7.810 -0.095 -4.910 1.00 51.14 H new ATOM 0 HE2 LYS A 37 -7.792 -0.824 -7.256 1.00 22.43 H new ATOM 0 HE3 LYS A 37 -9.410 -0.195 -7.494 1.00 22.43 H new ATOM 0 HZ1 LYS A 37 -7.901 1.408 -8.315 1.00 22.30 H new ATOM 0 HZ2 LYS A 37 -8.501 2.036 -6.856 1.00 22.30 H new ATOM 0 HZ3 LYS A 37 -6.945 1.358 -6.913 1.00 22.30 H new ATOM 624 N ASP A 38 -6.419 -1.193 -3.307 1.00 15.54 N ATOM 625 CA ASP A 38 -5.143 -0.819 -3.921 1.00 12.13 C ATOM 626 C ASP A 38 -3.980 -1.554 -3.265 1.00 14.54 C ATOM 627 O ASP A 38 -3.090 -2.058 -3.948 1.00 63.14 O ATOM 628 CB ASP A 38 -4.908 0.696 -3.832 1.00 65.41 C ATOM 629 CG ASP A 38 -5.894 1.495 -4.663 1.00 21.11 C ATOM 630 OD1 ASP A 38 -5.713 1.571 -5.898 1.00 72.33 O ATOM 631 OD2 ASP A 38 -6.863 2.036 -4.090 1.00 70.20 O ATOM 0 H ASP A 38 -6.756 -0.537 -2.603 1.00 15.54 H new ATOM 0 HA ASP A 38 -5.195 -1.107 -4.971 1.00 12.13 H new ATOM 0 HB2 ASP A 38 -4.980 1.009 -2.791 1.00 65.41 H new ATOM 0 HB3 ASP A 38 -3.894 0.922 -4.163 1.00 65.41 H new ATOM 636 N ILE A 39 -3.991 -1.616 -1.937 1.00 2.33 N ATOM 637 CA ILE A 39 -2.931 -2.294 -1.201 1.00 14.11 C ATOM 638 C ILE A 39 -3.068 -3.808 -1.349 1.00 25.22 C ATOM 639 O ILE A 39 -2.076 -4.538 -1.346 1.00 31.41 O ATOM 640 CB ILE A 39 -2.928 -1.895 0.295 1.00 34.05 C ATOM 641 CG1 ILE A 39 -2.733 -0.380 0.432 1.00 32.02 C ATOM 642 CG2 ILE A 39 -1.835 -2.638 1.051 1.00 41.35 C ATOM 643 CD1 ILE A 39 -2.736 0.115 1.863 1.00 31.04 C ATOM 0 H ILE A 39 -4.719 -1.207 -1.351 1.00 2.33 H new ATOM 0 HA ILE A 39 -1.978 -1.980 -1.627 1.00 14.11 H new ATOM 0 HB ILE A 39 -3.889 -2.171 0.729 1.00 34.05 H new ATOM 0 HG12 ILE A 39 -1.789 -0.102 -0.036 1.00 32.02 H new ATOM 0 HG13 ILE A 39 -3.524 0.129 -0.119 1.00 32.02 H new ATOM 0 HG21 ILE A 39 -1.852 -2.342 2.100 1.00 41.35 H new ATOM 0 HG22 ILE A 39 -2.005 -3.712 0.975 1.00 41.35 H new ATOM 0 HG23 ILE A 39 -0.864 -2.393 0.621 1.00 41.35 H new ATOM 0 HD11 ILE A 39 -2.593 1.195 1.875 1.00 31.04 H new ATOM 0 HD12 ILE A 39 -3.690 -0.130 2.331 1.00 31.04 H new ATOM 0 HD13 ILE A 39 -1.928 -0.364 2.415 1.00 31.04 H new ATOM 655 N LYS A 40 -4.301 -4.273 -1.502 1.00 41.23 N ATOM 656 CA LYS A 40 -4.550 -5.673 -1.815 1.00 73.33 C ATOM 657 C LYS A 40 -5.109 -5.793 -3.230 1.00 71.22 C ATOM 658 O LYS A 40 -6.322 -5.866 -3.411 1.00 2.54 O ATOM 659 CB LYS A 40 -5.549 -6.302 -0.839 1.00 62.45 C ATOM 660 CG LYS A 40 -5.159 -6.242 0.629 1.00 62.43 C ATOM 661 CD LYS A 40 -6.141 -7.042 1.476 1.00 60.34 C ATOM 662 CE LYS A 40 -7.568 -6.554 1.274 1.00 15.43 C ATOM 663 NZ LYS A 40 -8.577 -7.531 1.765 1.00 63.44 N ATOM 0 H LYS A 40 -5.142 -3.702 -1.415 1.00 41.23 H new ATOM 0 HA LYS A 40 -3.601 -6.202 -1.731 1.00 73.33 H new ATOM 0 HB2 LYS A 40 -6.511 -5.805 -0.961 1.00 62.45 H new ATOM 0 HB3 LYS A 40 -5.692 -7.346 -1.116 1.00 62.45 H new ATOM 0 HG2 LYS A 40 -4.151 -6.637 0.760 1.00 62.43 H new ATOM 0 HG3 LYS A 40 -5.141 -5.205 0.964 1.00 62.43 H new ATOM 0 HD2 LYS A 40 -6.075 -8.098 1.214 1.00 60.34 H new ATOM 0 HD3 LYS A 40 -5.871 -6.957 2.528 1.00 60.34 H new ATOM 0 HE2 LYS A 40 -7.702 -5.606 1.794 1.00 15.43 H new ATOM 0 HE3 LYS A 40 -7.737 -6.363 0.214 1.00 15.43 H new ATOM 0 HZ1 LYS A 40 -9.533 -7.153 1.605 1.00 63.44 H new ATOM 0 HZ2 LYS A 40 -8.469 -8.429 1.251 1.00 63.44 H new ATOM 0 HZ3 LYS A 40 -8.435 -7.695 2.782 1.00 63.44 H new ATOM 677 N PRO A 41 -4.245 -5.791 -4.255 1.00 52.31 N ATOM 678 CA PRO A 41 -4.684 -5.868 -5.648 1.00 75.30 C ATOM 679 C PRO A 41 -5.198 -7.258 -5.999 1.00 34.04 C ATOM 680 O PRO A 41 -6.340 -7.424 -6.437 1.00 61.44 O ATOM 681 CB PRO A 41 -3.413 -5.548 -6.454 1.00 13.43 C ATOM 682 CG PRO A 41 -2.407 -5.070 -5.456 1.00 54.12 C ATOM 683 CD PRO A 41 -2.786 -5.696 -4.150 1.00 61.14 C ATOM 0 HA PRO A 41 -5.509 -5.186 -5.855 1.00 75.30 H new ATOM 0 HB2 PRO A 41 -3.052 -6.431 -6.981 1.00 13.43 H new ATOM 0 HB3 PRO A 41 -3.609 -4.785 -7.207 1.00 13.43 H new ATOM 0 HG2 PRO A 41 -1.398 -5.361 -5.749 1.00 54.12 H new ATOM 0 HG3 PRO A 41 -2.416 -3.982 -5.384 1.00 54.12 H new ATOM 0 HD2 PRO A 41 -2.324 -6.675 -4.020 1.00 61.14 H new ATOM 0 HD3 PRO A 41 -2.479 -5.083 -3.302 1.00 61.14 H new ATOM 691 N ALA A 42 -4.351 -8.251 -5.783 1.00 54.33 N ATOM 692 CA ALA A 42 -4.691 -9.641 -6.056 1.00 52.34 C ATOM 693 C ALA A 42 -3.628 -10.560 -5.480 1.00 14.34 C ATOM 694 O ALA A 42 -3.528 -11.726 -5.857 1.00 32.24 O ATOM 695 CB ALA A 42 -4.825 -9.873 -7.557 1.00 63.34 C ATOM 0 H ALA A 42 -3.409 -8.118 -5.414 1.00 54.33 H new ATOM 0 HA ALA A 42 -5.648 -9.864 -5.583 1.00 52.34 H new ATOM 0 HB1 ALA A 42 -5.079 -10.917 -7.743 1.00 63.34 H new ATOM 0 HB2 ALA A 42 -5.611 -9.232 -7.956 1.00 63.34 H new ATOM 0 HB3 ALA A 42 -3.881 -9.637 -8.047 1.00 63.34 H new ATOM 701 N ILE A 43 -2.841 -10.034 -4.554 1.00 50.44 N ATOM 702 CA ILE A 43 -1.710 -10.767 -4.012 1.00 2.02 C ATOM 703 C ILE A 43 -1.708 -10.753 -2.488 1.00 55.24 C ATOM 704 O ILE A 43 -1.262 -9.796 -1.860 1.00 0.02 O ATOM 705 CB ILE A 43 -0.369 -10.208 -4.538 1.00 63.25 C ATOM 706 CG1 ILE A 43 -0.395 -8.674 -4.551 1.00 51.13 C ATOM 707 CG2 ILE A 43 -0.074 -10.754 -5.930 1.00 24.22 C ATOM 708 CD1 ILE A 43 0.941 -8.043 -4.878 1.00 1.32 C ATOM 0 H ILE A 43 -2.966 -9.101 -4.162 1.00 50.44 H new ATOM 0 HA ILE A 43 -1.817 -11.798 -4.349 1.00 2.02 H new ATOM 0 HB ILE A 43 0.428 -10.531 -3.868 1.00 63.25 H new ATOM 0 HG12 ILE A 43 -1.133 -8.339 -5.280 1.00 51.13 H new ATOM 0 HG13 ILE A 43 -0.726 -8.317 -3.576 1.00 51.13 H new ATOM 0 HG21 ILE A 43 0.874 -10.350 -6.286 1.00 24.22 H new ATOM 0 HG22 ILE A 43 -0.013 -11.842 -5.889 1.00 24.22 H new ATOM 0 HG23 ILE A 43 -0.872 -10.461 -6.612 1.00 24.22 H new ATOM 0 HD11 ILE A 43 0.843 -6.957 -4.868 1.00 1.32 H new ATOM 0 HD12 ILE A 43 1.679 -8.347 -4.135 1.00 1.32 H new ATOM 0 HD13 ILE A 43 1.265 -8.369 -5.866 1.00 1.32 H new ATOM 720 N GLY A 44 -2.246 -11.810 -1.905 1.00 12.45 N ATOM 721 CA GLY A 44 -2.186 -11.989 -0.469 1.00 74.33 C ATOM 722 C GLY A 44 -1.439 -13.257 -0.117 1.00 4.14 C ATOM 723 O GLY A 44 -1.336 -13.635 1.049 1.00 53.51 O ATOM 0 H GLY A 44 -2.729 -12.556 -2.406 1.00 12.45 H new ATOM 0 HA2 GLY A 44 -1.692 -11.132 -0.011 1.00 74.33 H new ATOM 0 HA3 GLY A 44 -3.196 -12.031 -0.061 1.00 74.33 H new ATOM 727 N SER A 45 -0.912 -13.905 -1.145 1.00 14.23 N ATOM 728 CA SER A 45 -0.188 -15.155 -1.002 1.00 52.14 C ATOM 729 C SER A 45 1.298 -14.901 -0.757 1.00 32.31 C ATOM 730 O SER A 45 2.125 -15.811 -0.858 1.00 41.44 O ATOM 731 CB SER A 45 -0.385 -15.986 -2.274 1.00 51.12 C ATOM 732 OG SER A 45 -0.183 -15.186 -3.431 1.00 65.44 O ATOM 0 H SER A 45 -0.976 -13.574 -2.108 1.00 14.23 H new ATOM 0 HA SER A 45 -0.576 -15.699 -0.141 1.00 52.14 H new ATOM 0 HB2 SER A 45 0.312 -16.824 -2.279 1.00 51.12 H new ATOM 0 HB3 SER A 45 -1.390 -16.407 -2.288 1.00 51.12 H new ATOM 0 HG SER A 45 -0.311 -15.733 -4.234 1.00 65.44 H new ATOM 738 N LEU A 46 1.631 -13.663 -0.427 1.00 45.05 N ATOM 739 CA LEU A 46 3.013 -13.273 -0.216 1.00 25.54 C ATOM 740 C LEU A 46 3.141 -12.354 0.993 1.00 21.12 C ATOM 741 O LEU A 46 2.156 -11.762 1.445 1.00 5.03 O ATOM 742 CB LEU A 46 3.575 -12.611 -1.486 1.00 2.41 C ATOM 743 CG LEU A 46 2.667 -11.589 -2.187 1.00 2.02 C ATOM 744 CD1 LEU A 46 2.579 -10.290 -1.404 1.00 34.54 C ATOM 745 CD2 LEU A 46 3.164 -11.323 -3.600 1.00 13.03 C ATOM 0 H LEU A 46 0.957 -12.908 -0.299 1.00 45.05 H new ATOM 0 HA LEU A 46 3.601 -14.167 -0.008 1.00 25.54 H new ATOM 0 HB2 LEU A 46 4.510 -12.115 -1.226 1.00 2.41 H new ATOM 0 HB3 LEU A 46 3.819 -13.397 -2.201 1.00 2.41 H new ATOM 0 HG LEU A 46 1.665 -12.014 -2.237 1.00 2.02 H new ATOM 0 HD11 LEU A 46 1.928 -9.591 -1.930 1.00 34.54 H new ATOM 0 HD12 LEU A 46 2.171 -10.489 -0.413 1.00 34.54 H new ATOM 0 HD13 LEU A 46 3.574 -9.856 -1.306 1.00 34.54 H new ATOM 0 HD21 LEU A 46 2.511 -10.597 -4.085 1.00 13.03 H new ATOM 0 HD22 LEU A 46 4.179 -10.928 -3.560 1.00 13.03 H new ATOM 0 HD23 LEU A 46 3.158 -12.253 -4.169 1.00 13.03 H new ATOM 757 N LYS A 47 4.350 -12.249 1.523 1.00 60.12 N ATOM 758 CA LYS A 47 4.598 -11.403 2.677 1.00 31.02 C ATOM 759 C LYS A 47 5.052 -10.021 2.240 1.00 55.50 C ATOM 760 O LYS A 47 5.078 -9.705 1.050 1.00 62.24 O ATOM 761 CB LYS A 47 5.662 -12.014 3.584 1.00 23.14 C ATOM 762 CG LYS A 47 5.305 -13.384 4.122 1.00 14.32 C ATOM 763 CD LYS A 47 6.430 -13.936 4.979 1.00 52.13 C ATOM 764 CE LYS A 47 7.746 -13.928 4.220 1.00 30.04 C ATOM 765 NZ LYS A 47 8.858 -14.514 5.008 1.00 3.13 N ATOM 0 H LYS A 47 5.173 -12.739 1.172 1.00 60.12 H new ATOM 0 HA LYS A 47 3.662 -11.320 3.230 1.00 31.02 H new ATOM 0 HB2 LYS A 47 6.598 -12.086 3.030 1.00 23.14 H new ATOM 0 HB3 LYS A 47 5.839 -11.341 4.423 1.00 23.14 H new ATOM 0 HG2 LYS A 47 4.390 -13.321 4.711 1.00 14.32 H new ATOM 0 HG3 LYS A 47 5.105 -14.064 3.294 1.00 14.32 H new ATOM 0 HD2 LYS A 47 6.526 -13.341 5.887 1.00 52.13 H new ATOM 0 HD3 LYS A 47 6.191 -14.953 5.289 1.00 52.13 H new ATOM 0 HE2 LYS A 47 7.630 -14.486 3.291 1.00 30.04 H new ATOM 0 HE3 LYS A 47 7.998 -12.903 3.947 1.00 30.04 H new ATOM 0 HZ1 LYS A 47 9.709 -13.926 4.898 1.00 3.13 H new ATOM 0 HZ2 LYS A 47 8.590 -14.551 6.012 1.00 3.13 H new ATOM 0 HZ3 LYS A 47 9.056 -15.476 4.667 1.00 3.13 H new ATOM 779 N VAL A 48 5.442 -9.218 3.217 1.00 32.45 N ATOM 780 CA VAL A 48 5.860 -7.844 2.968 1.00 54.10 C ATOM 781 C VAL A 48 7.162 -7.804 2.165 1.00 62.34 C ATOM 782 O VAL A 48 7.429 -6.848 1.441 1.00 32.22 O ATOM 783 CB VAL A 48 6.051 -7.075 4.294 1.00 41.21 C ATOM 784 CG1 VAL A 48 6.253 -5.590 4.042 1.00 61.45 C ATOM 785 CG2 VAL A 48 4.868 -7.302 5.224 1.00 3.34 C ATOM 0 H VAL A 48 5.478 -9.495 4.198 1.00 32.45 H new ATOM 0 HA VAL A 48 5.071 -7.364 2.389 1.00 54.10 H new ATOM 0 HB VAL A 48 6.949 -7.461 4.777 1.00 41.21 H new ATOM 0 HG11 VAL A 48 6.385 -5.074 4.993 1.00 61.45 H new ATOM 0 HG12 VAL A 48 7.139 -5.443 3.424 1.00 61.45 H new ATOM 0 HG13 VAL A 48 5.381 -5.186 3.528 1.00 61.45 H new ATOM 0 HG21 VAL A 48 5.024 -6.751 6.152 1.00 3.34 H new ATOM 0 HG22 VAL A 48 3.955 -6.952 4.743 1.00 3.34 H new ATOM 0 HG23 VAL A 48 4.777 -8.366 5.444 1.00 3.34 H new ATOM 795 N GLU A 49 7.965 -8.852 2.288 1.00 12.22 N ATOM 796 CA GLU A 49 9.235 -8.914 1.578 1.00 64.11 C ATOM 797 C GLU A 49 9.053 -9.508 0.184 1.00 52.25 C ATOM 798 O GLU A 49 9.891 -9.318 -0.695 1.00 21.22 O ATOM 799 CB GLU A 49 10.257 -9.733 2.369 1.00 62.24 C ATOM 800 CG GLU A 49 9.905 -11.207 2.495 1.00 11.32 C ATOM 801 CD GLU A 49 10.984 -12.003 3.197 1.00 61.12 C ATOM 802 OE1 GLU A 49 12.133 -12.014 2.706 1.00 54.40 O ATOM 803 OE2 GLU A 49 10.688 -12.622 4.240 1.00 75.52 O ATOM 0 H GLU A 49 7.762 -9.666 2.869 1.00 12.22 H new ATOM 0 HA GLU A 49 9.608 -7.895 1.473 1.00 64.11 H new ATOM 0 HB2 GLU A 49 11.231 -9.643 1.887 1.00 62.24 H new ATOM 0 HB3 GLU A 49 10.354 -9.307 3.367 1.00 62.24 H new ATOM 0 HG2 GLU A 49 8.969 -11.308 3.044 1.00 11.32 H new ATOM 0 HG3 GLU A 49 9.739 -11.624 1.502 1.00 11.32 H new ATOM 810 N ASP A 50 7.947 -10.214 -0.016 1.00 11.30 N ATOM 811 CA ASP A 50 7.696 -10.890 -1.283 1.00 23.30 C ATOM 812 C ASP A 50 7.030 -9.956 -2.276 1.00 42.42 C ATOM 813 O ASP A 50 7.135 -10.142 -3.490 1.00 31.32 O ATOM 814 CB ASP A 50 6.823 -12.123 -1.078 1.00 65.24 C ATOM 815 CG ASP A 50 7.510 -13.190 -0.261 1.00 71.43 C ATOM 816 OD1 ASP A 50 8.393 -13.882 -0.808 1.00 33.43 O ATOM 817 OD2 ASP A 50 7.172 -13.336 0.932 1.00 53.31 O ATOM 0 H ASP A 50 7.211 -10.333 0.681 1.00 11.30 H new ATOM 0 HA ASP A 50 8.661 -11.201 -1.684 1.00 23.30 H new ATOM 0 HB2 ASP A 50 5.898 -11.830 -0.582 1.00 65.24 H new ATOM 0 HB3 ASP A 50 6.548 -12.535 -2.049 1.00 65.24 H new ATOM 822 N VAL A 51 6.339 -8.950 -1.765 1.00 32.02 N ATOM 823 CA VAL A 51 5.736 -7.945 -2.620 1.00 43.54 C ATOM 824 C VAL A 51 6.815 -6.961 -3.098 1.00 20.24 C ATOM 825 O VAL A 51 6.830 -5.787 -2.742 1.00 21.23 O ATOM 826 CB VAL A 51 4.554 -7.223 -1.912 1.00 64.14 C ATOM 827 CG1 VAL A 51 4.995 -6.549 -0.621 1.00 54.33 C ATOM 828 CG2 VAL A 51 3.875 -6.224 -2.840 1.00 71.02 C ATOM 0 H VAL A 51 6.183 -8.809 -0.767 1.00 32.02 H new ATOM 0 HA VAL A 51 5.309 -8.436 -3.495 1.00 43.54 H new ATOM 0 HB VAL A 51 3.824 -7.990 -1.651 1.00 64.14 H new ATOM 0 HG11 VAL A 51 4.140 -6.056 -0.157 1.00 54.33 H new ATOM 0 HG12 VAL A 51 5.396 -7.298 0.062 1.00 54.33 H new ATOM 0 HG13 VAL A 51 5.765 -5.809 -0.841 1.00 54.33 H new ATOM 0 HG21 VAL A 51 3.054 -5.738 -2.313 1.00 71.02 H new ATOM 0 HG22 VAL A 51 4.598 -5.473 -3.157 1.00 71.02 H new ATOM 0 HG23 VAL A 51 3.486 -6.746 -3.715 1.00 71.02 H new ATOM 838 N LYS A 52 7.745 -7.492 -3.890 1.00 61.32 N ATOM 839 CA LYS A 52 8.871 -6.722 -4.418 1.00 12.20 C ATOM 840 C LYS A 52 8.404 -5.457 -5.141 1.00 73.32 C ATOM 841 O LYS A 52 7.286 -5.412 -5.652 1.00 32.33 O ATOM 842 CB LYS A 52 9.701 -7.590 -5.366 1.00 53.32 C ATOM 843 CG LYS A 52 10.369 -8.773 -4.684 1.00 72.12 C ATOM 844 CD LYS A 52 11.266 -9.532 -5.649 1.00 50.23 C ATOM 845 CE LYS A 52 11.961 -10.702 -4.968 1.00 42.22 C ATOM 846 NZ LYS A 52 12.895 -11.403 -5.889 1.00 11.23 N ATOM 0 H LYS A 52 7.739 -8.469 -4.184 1.00 61.32 H new ATOM 0 HA LYS A 52 9.486 -6.413 -3.573 1.00 12.20 H new ATOM 0 HB2 LYS A 52 9.057 -7.958 -6.165 1.00 53.32 H new ATOM 0 HB3 LYS A 52 10.467 -6.972 -5.834 1.00 53.32 H new ATOM 0 HG2 LYS A 52 10.958 -8.422 -3.836 1.00 72.12 H new ATOM 0 HG3 LYS A 52 9.608 -9.444 -4.287 1.00 72.12 H new ATOM 0 HD2 LYS A 52 10.672 -9.899 -6.486 1.00 50.23 H new ATOM 0 HD3 LYS A 52 12.014 -8.854 -6.061 1.00 50.23 H new ATOM 0 HE2 LYS A 52 12.511 -10.342 -4.098 1.00 42.22 H new ATOM 0 HE3 LYS A 52 11.213 -11.406 -4.603 1.00 42.22 H new ATOM 0 HZ1 LYS A 52 13.349 -12.193 -5.388 1.00 11.23 H new ATOM 0 HZ2 LYS A 52 12.367 -11.769 -6.707 1.00 11.23 H new ATOM 0 HZ3 LYS A 52 13.624 -10.737 -6.217 1.00 11.23 H new ATOM 860 N PRO A 53 9.279 -4.429 -5.191 1.00 21.41 N ATOM 861 CA PRO A 53 8.977 -3.104 -5.757 1.00 4.12 C ATOM 862 C PRO A 53 8.121 -3.122 -7.024 1.00 32.21 C ATOM 863 O PRO A 53 7.170 -2.352 -7.133 1.00 44.11 O ATOM 864 CB PRO A 53 10.365 -2.558 -6.070 1.00 72.21 C ATOM 865 CG PRO A 53 11.230 -3.123 -5.001 1.00 55.42 C ATOM 866 CD PRO A 53 10.662 -4.481 -4.672 1.00 44.23 C ATOM 0 HA PRO A 53 8.382 -2.512 -5.062 1.00 4.12 H new ATOM 0 HB2 PRO A 53 10.701 -2.868 -7.059 1.00 72.21 H new ATOM 0 HB3 PRO A 53 10.376 -1.468 -6.057 1.00 72.21 H new ATOM 0 HG2 PRO A 53 12.263 -3.205 -5.339 1.00 55.42 H new ATOM 0 HG3 PRO A 53 11.233 -2.479 -4.122 1.00 55.42 H new ATOM 0 HD2 PRO A 53 11.236 -5.278 -5.145 1.00 44.23 H new ATOM 0 HD3 PRO A 53 10.678 -4.670 -3.599 1.00 44.23 H new ATOM 874 N ARG A 54 8.437 -4.003 -7.969 1.00 11.32 N ATOM 875 CA ARG A 54 7.750 -3.998 -9.259 1.00 73.42 C ATOM 876 C ARG A 54 6.274 -4.375 -9.101 1.00 70.24 C ATOM 877 O ARG A 54 5.450 -4.046 -9.948 1.00 61.03 O ATOM 878 CB ARG A 54 8.448 -4.924 -10.260 1.00 62.15 C ATOM 879 CG ARG A 54 8.461 -4.379 -11.685 1.00 5.52 C ATOM 880 CD ARG A 54 7.085 -4.427 -12.332 1.00 40.13 C ATOM 881 NE ARG A 54 6.966 -3.492 -13.449 1.00 1.43 N ATOM 882 CZ ARG A 54 6.914 -3.858 -14.729 1.00 62.42 C ATOM 883 NH1 ARG A 54 7.002 -5.141 -15.063 1.00 52.24 N ATOM 884 NH2 ARG A 54 6.781 -2.940 -15.678 1.00 12.22 N ATOM 0 H ARG A 54 9.155 -4.721 -7.870 1.00 11.32 H new ATOM 0 HA ARG A 54 7.795 -2.983 -9.654 1.00 73.42 H new ATOM 0 HB2 ARG A 54 9.475 -5.091 -9.934 1.00 62.15 H new ATOM 0 HB3 ARG A 54 7.950 -5.894 -10.255 1.00 62.15 H new ATOM 0 HG2 ARG A 54 8.820 -3.350 -11.675 1.00 5.52 H new ATOM 0 HG3 ARG A 54 9.164 -4.956 -12.286 1.00 5.52 H new ATOM 0 HD2 ARG A 54 6.887 -5.439 -12.685 1.00 40.13 H new ATOM 0 HD3 ARG A 54 6.326 -4.196 -11.585 1.00 40.13 H new ATOM 0 HE ARG A 54 6.920 -2.496 -13.235 1.00 1.43 H new ATOM 0 HH11 ARG A 54 7.110 -5.850 -14.338 1.00 52.24 H new ATOM 0 HH12 ARG A 54 6.962 -5.416 -16.044 1.00 52.24 H new ATOM 0 HH21 ARG A 54 6.719 -1.953 -15.428 1.00 12.22 H new ATOM 0 HH22 ARG A 54 6.741 -3.221 -16.658 1.00 12.22 H new ATOM 898 N HIS A 55 5.935 -5.042 -8.008 1.00 1.33 N ATOM 899 CA HIS A 55 4.538 -5.330 -7.703 1.00 1.52 C ATOM 900 C HIS A 55 3.784 -4.029 -7.495 1.00 52.32 C ATOM 901 O HIS A 55 2.722 -3.804 -8.074 1.00 2.31 O ATOM 902 CB HIS A 55 4.420 -6.202 -6.454 1.00 53.22 C ATOM 903 CG HIS A 55 4.687 -7.647 -6.709 1.00 42.14 C ATOM 904 ND1 HIS A 55 5.821 -8.303 -6.285 1.00 1.21 N ATOM 905 CD2 HIS A 55 3.939 -8.565 -7.346 1.00 61.33 C ATOM 906 CE1 HIS A 55 5.752 -9.571 -6.653 1.00 1.34 C ATOM 907 NE2 HIS A 55 4.617 -9.756 -7.300 1.00 24.35 N ATOM 0 H HIS A 55 6.602 -5.393 -7.320 1.00 1.33 H new ATOM 0 HA HIS A 55 4.106 -5.875 -8.542 1.00 1.52 H new ATOM 0 HB2 HIS A 55 5.119 -5.839 -5.700 1.00 53.22 H new ATOM 0 HB3 HIS A 55 3.418 -6.094 -6.038 1.00 53.22 H new ATOM 0 HD2 HIS A 55 2.979 -8.395 -7.810 1.00 61.33 H new ATOM 0 HE1 HIS A 55 6.498 -10.327 -6.457 1.00 1.34 H new ATOM 0 HE2 HIS A 55 4.297 -10.638 -7.700 1.00 24.35 H new ATOM 916 N ILE A 56 4.364 -3.171 -6.674 1.00 60.23 N ATOM 917 CA ILE A 56 3.814 -1.847 -6.421 1.00 44.23 C ATOM 918 C ILE A 56 3.920 -0.993 -7.685 1.00 11.01 C ATOM 919 O ILE A 56 3.032 -0.205 -7.996 1.00 30.25 O ATOM 920 CB ILE A 56 4.552 -1.142 -5.256 1.00 43.41 C ATOM 921 CG1 ILE A 56 4.556 -2.027 -4.002 1.00 73.34 C ATOM 922 CG2 ILE A 56 3.911 0.206 -4.952 1.00 65.40 C ATOM 923 CD1 ILE A 56 3.172 -2.356 -3.479 1.00 53.12 C ATOM 0 H ILE A 56 5.226 -3.369 -6.165 1.00 60.23 H new ATOM 0 HA ILE A 56 2.768 -1.965 -6.140 1.00 44.23 H new ATOM 0 HB ILE A 56 5.585 -0.973 -5.561 1.00 43.41 H new ATOM 0 HG12 ILE A 56 5.079 -2.956 -4.227 1.00 73.34 H new ATOM 0 HG13 ILE A 56 5.121 -1.525 -3.217 1.00 73.34 H new ATOM 0 HG21 ILE A 56 4.444 0.685 -4.131 1.00 65.40 H new ATOM 0 HG22 ILE A 56 3.961 0.841 -5.837 1.00 65.40 H new ATOM 0 HG23 ILE A 56 2.868 0.058 -4.671 1.00 65.40 H new ATOM 0 HD11 ILE A 56 3.258 -2.984 -2.592 1.00 53.12 H new ATOM 0 HD12 ILE A 56 2.652 -1.434 -3.221 1.00 53.12 H new ATOM 0 HD13 ILE A 56 2.610 -2.887 -4.247 1.00 53.12 H new ATOM 935 N ASP A 57 5.004 -1.195 -8.423 1.00 41.53 N ATOM 936 CA ASP A 57 5.269 -0.464 -9.660 1.00 62.43 C ATOM 937 C ASP A 57 4.162 -0.707 -10.677 1.00 60.24 C ATOM 938 O ASP A 57 3.696 0.218 -11.345 1.00 2.11 O ATOM 939 CB ASP A 57 6.625 -0.907 -10.227 1.00 21.42 C ATOM 940 CG ASP A 57 6.953 -0.297 -11.576 1.00 40.45 C ATOM 941 OD1 ASP A 57 7.563 0.792 -11.609 1.00 22.01 O ATOM 942 OD2 ASP A 57 6.634 -0.922 -12.609 1.00 70.24 O ATOM 0 H ASP A 57 5.728 -1.872 -8.182 1.00 41.53 H new ATOM 0 HA ASP A 57 5.297 0.604 -9.445 1.00 62.43 H new ATOM 0 HB2 ASP A 57 7.409 -0.641 -9.518 1.00 21.42 H new ATOM 0 HB3 ASP A 57 6.633 -1.993 -10.318 1.00 21.42 H new ATOM 947 N ASP A 58 3.721 -1.953 -10.761 1.00 24.41 N ATOM 948 CA ASP A 58 2.690 -2.334 -11.718 1.00 35.23 C ATOM 949 C ASP A 58 1.320 -1.834 -11.272 1.00 3.21 C ATOM 950 O ASP A 58 0.551 -1.312 -12.080 1.00 11.03 O ATOM 951 CB ASP A 58 2.655 -3.853 -11.900 1.00 41.20 C ATOM 952 CG ASP A 58 1.748 -4.281 -13.042 1.00 71.14 C ATOM 953 OD1 ASP A 58 2.229 -4.334 -14.191 1.00 73.10 O ATOM 954 OD2 ASP A 58 0.561 -4.580 -12.792 1.00 72.54 O ATOM 0 H ASP A 58 4.060 -2.719 -10.179 1.00 24.41 H new ATOM 0 HA ASP A 58 2.936 -1.870 -12.673 1.00 35.23 H new ATOM 0 HB2 ASP A 58 3.665 -4.217 -12.087 1.00 41.20 H new ATOM 0 HB3 ASP A 58 2.314 -4.319 -10.975 1.00 41.20 H new ATOM 959 N VAL A 59 1.015 -1.971 -9.982 1.00 74.41 N ATOM 960 CA VAL A 59 -0.292 -1.561 -9.478 1.00 41.24 C ATOM 961 C VAL A 59 -0.434 -0.040 -9.484 1.00 40.13 C ATOM 962 O VAL A 59 -1.529 0.481 -9.694 1.00 74.15 O ATOM 963 CB VAL A 59 -0.592 -2.122 -8.067 1.00 25.41 C ATOM 964 CG1 VAL A 59 -0.523 -3.639 -8.082 1.00 74.51 C ATOM 965 CG2 VAL A 59 0.356 -1.555 -7.023 1.00 23.41 C ATOM 0 H VAL A 59 1.645 -2.356 -9.278 1.00 74.41 H new ATOM 0 HA VAL A 59 -1.029 -1.987 -10.159 1.00 41.24 H new ATOM 0 HB VAL A 59 -1.601 -1.814 -7.793 1.00 25.41 H new ATOM 0 HG11 VAL A 59 -0.736 -4.023 -7.084 1.00 74.51 H new ATOM 0 HG12 VAL A 59 -1.258 -4.030 -8.785 1.00 74.51 H new ATOM 0 HG13 VAL A 59 0.475 -3.955 -8.387 1.00 74.51 H new ATOM 0 HG21 VAL A 59 0.113 -1.973 -6.046 1.00 23.41 H new ATOM 0 HG22 VAL A 59 1.382 -1.815 -7.284 1.00 23.41 H new ATOM 0 HG23 VAL A 59 0.254 -0.470 -6.989 1.00 23.41 H new ATOM 975 N LEU A 60 0.674 0.671 -9.274 1.00 24.53 N ATOM 976 CA LEU A 60 0.668 2.124 -9.382 1.00 42.41 C ATOM 977 C LEU A 60 0.373 2.538 -10.814 1.00 10.04 C ATOM 978 O LEU A 60 -0.430 3.433 -11.055 1.00 3.41 O ATOM 979 CB LEU A 60 2.002 2.722 -8.923 1.00 33.53 C ATOM 980 CG LEU A 60 2.263 2.654 -7.416 1.00 74.20 C ATOM 981 CD1 LEU A 60 3.582 3.326 -7.081 1.00 12.41 C ATOM 982 CD2 LEU A 60 1.124 3.300 -6.640 1.00 12.11 C ATOM 0 H LEU A 60 1.578 0.266 -9.030 1.00 24.53 H new ATOM 0 HA LEU A 60 -0.115 2.509 -8.728 1.00 42.41 H new ATOM 0 HB2 LEU A 60 2.811 2.204 -9.439 1.00 33.53 H new ATOM 0 HB3 LEU A 60 2.041 3.766 -9.235 1.00 33.53 H new ATOM 0 HG LEU A 60 2.320 1.605 -7.124 1.00 74.20 H new ATOM 0 HD11 LEU A 60 3.756 3.271 -6.006 1.00 12.41 H new ATOM 0 HD12 LEU A 60 4.392 2.820 -7.606 1.00 12.41 H new ATOM 0 HD13 LEU A 60 3.547 4.371 -7.390 1.00 12.41 H new ATOM 0 HD21 LEU A 60 1.331 3.240 -5.572 1.00 12.11 H new ATOM 0 HD22 LEU A 60 1.031 4.346 -6.933 1.00 12.11 H new ATOM 0 HD23 LEU A 60 0.193 2.778 -6.859 1.00 12.11 H new ATOM 994 N LYS A 61 1.003 1.854 -11.759 1.00 73.32 N ATOM 995 CA LYS A 61 0.760 2.076 -13.167 1.00 11.24 C ATOM 996 C LYS A 61 -0.722 1.890 -13.486 1.00 4.31 C ATOM 997 O LYS A 61 -1.345 2.737 -14.127 1.00 61.15 O ATOM 998 CB LYS A 61 1.599 1.078 -13.947 1.00 21.51 C ATOM 999 CG LYS A 61 1.322 1.042 -15.430 1.00 64.21 C ATOM 1000 CD LYS A 61 1.698 -0.308 -15.998 1.00 24.44 C ATOM 1001 CE LYS A 61 3.136 -0.673 -15.678 1.00 11.31 C ATOM 1002 NZ LYS A 61 4.109 0.178 -16.413 1.00 35.41 N ATOM 0 H LYS A 61 1.696 1.131 -11.565 1.00 73.32 H new ATOM 0 HA LYS A 61 1.033 3.095 -13.442 1.00 11.24 H new ATOM 0 HB2 LYS A 61 2.653 1.312 -13.794 1.00 21.51 H new ATOM 0 HB3 LYS A 61 1.430 0.083 -13.536 1.00 21.51 H new ATOM 0 HG2 LYS A 61 0.267 1.242 -15.615 1.00 64.21 H new ATOM 0 HG3 LYS A 61 1.888 1.827 -15.932 1.00 64.21 H new ATOM 0 HD2 LYS A 61 1.031 -1.070 -15.595 1.00 24.44 H new ATOM 0 HD3 LYS A 61 1.557 -0.300 -17.079 1.00 24.44 H new ATOM 0 HE2 LYS A 61 3.305 -0.572 -14.606 1.00 11.31 H new ATOM 0 HE3 LYS A 61 3.308 -1.719 -15.930 1.00 11.31 H new ATOM 0 HZ1 LYS A 61 5.077 -0.107 -16.163 1.00 35.41 H new ATOM 0 HZ2 LYS A 61 3.967 0.063 -17.437 1.00 35.41 H new ATOM 0 HZ3 LYS A 61 3.964 1.175 -16.154 1.00 35.41 H new ATOM 1016 N ALA A 62 -1.270 0.774 -13.021 1.00 21.30 N ATOM 1017 CA ALA A 62 -2.679 0.455 -13.224 1.00 74.44 C ATOM 1018 C ALA A 62 -3.600 1.537 -12.659 1.00 2.13 C ATOM 1019 O ALA A 62 -4.487 2.027 -13.359 1.00 70.21 O ATOM 1020 CB ALA A 62 -3.007 -0.891 -12.599 1.00 3.35 C ATOM 0 H ALA A 62 -0.754 0.068 -12.496 1.00 21.30 H new ATOM 0 HA ALA A 62 -2.852 0.407 -14.299 1.00 74.44 H new ATOM 0 HB1 ALA A 62 -4.061 -1.118 -12.757 1.00 3.35 H new ATOM 0 HB2 ALA A 62 -2.396 -1.666 -13.062 1.00 3.35 H new ATOM 0 HB3 ALA A 62 -2.800 -0.856 -11.529 1.00 3.35 H new ATOM 1026 N VAL A 63 -3.388 1.917 -11.399 1.00 11.22 N ATOM 1027 CA VAL A 63 -4.258 2.892 -10.747 1.00 31.44 C ATOM 1028 C VAL A 63 -4.086 4.291 -11.354 1.00 65.24 C ATOM 1029 O VAL A 63 -5.030 5.081 -11.378 1.00 2.02 O ATOM 1030 CB VAL A 63 -4.042 2.935 -9.210 1.00 42.11 C ATOM 1031 CG1 VAL A 63 -2.651 3.424 -8.854 1.00 15.12 C ATOM 1032 CG2 VAL A 63 -5.103 3.795 -8.541 1.00 61.00 C ATOM 0 H VAL A 63 -2.628 1.568 -10.815 1.00 11.22 H new ATOM 0 HA VAL A 63 -5.282 2.564 -10.926 1.00 31.44 H new ATOM 0 HB VAL A 63 -4.137 1.915 -8.836 1.00 42.11 H new ATOM 0 HG11 VAL A 63 -2.537 3.440 -7.770 1.00 15.12 H new ATOM 0 HG12 VAL A 63 -1.908 2.754 -9.287 1.00 15.12 H new ATOM 0 HG13 VAL A 63 -2.507 4.429 -9.249 1.00 15.12 H new ATOM 0 HG21 VAL A 63 -4.933 3.811 -7.465 1.00 61.00 H new ATOM 0 HG22 VAL A 63 -5.048 4.811 -8.932 1.00 61.00 H new ATOM 0 HG23 VAL A 63 -6.090 3.380 -8.746 1.00 61.00 H new ATOM 1042 N MET A 64 -2.893 4.588 -11.864 1.00 21.34 N ATOM 1043 CA MET A 64 -2.660 5.853 -12.560 1.00 31.11 C ATOM 1044 C MET A 64 -3.404 5.865 -13.887 1.00 73.23 C ATOM 1045 O MET A 64 -3.911 6.900 -14.324 1.00 63.33 O ATOM 1046 CB MET A 64 -1.167 6.089 -12.811 1.00 21.13 C ATOM 1047 CG MET A 64 -0.357 6.354 -11.552 1.00 0.12 C ATOM 1048 SD MET A 64 1.391 6.621 -11.901 1.00 71.42 S ATOM 1049 CE MET A 64 2.039 6.832 -10.247 1.00 21.51 C ATOM 0 H MET A 64 -2.078 3.977 -11.810 1.00 21.34 H new ATOM 0 HA MET A 64 -3.032 6.654 -11.921 1.00 31.11 H new ATOM 0 HB2 MET A 64 -0.753 5.218 -13.319 1.00 21.13 H new ATOM 0 HB3 MET A 64 -1.053 6.936 -13.488 1.00 21.13 H new ATOM 0 HG2 MET A 64 -0.760 7.229 -11.042 1.00 0.12 H new ATOM 0 HG3 MET A 64 -0.464 5.510 -10.871 1.00 0.12 H new ATOM 0 HE1 MET A 64 3.127 6.776 -10.273 1.00 21.51 H new ATOM 0 HE2 MET A 64 1.735 7.804 -9.858 1.00 21.51 H new ATOM 0 HE3 MET A 64 1.650 6.045 -9.601 1.00 21.51 H new ATOM 1059 N LYS A 65 -3.470 4.704 -14.523 1.00 15.32 N ATOM 1060 CA LYS A 65 -4.113 4.566 -15.808 1.00 34.11 C ATOM 1061 C LYS A 65 -5.631 4.633 -15.668 1.00 54.01 C ATOM 1062 O LYS A 65 -6.282 5.457 -16.308 1.00 54.34 O ATOM 1063 CB LYS A 65 -3.665 3.248 -16.454 1.00 62.14 C ATOM 1064 CG LYS A 65 -4.302 2.958 -17.801 1.00 45.01 C ATOM 1065 CD LYS A 65 -5.643 2.270 -17.640 1.00 32.34 C ATOM 1066 CE LYS A 65 -5.490 0.838 -17.151 1.00 54.34 C ATOM 1067 NZ LYS A 65 -4.988 -0.059 -18.223 1.00 51.23 N ATOM 0 H LYS A 65 -3.078 3.836 -14.158 1.00 15.32 H new ATOM 0 HA LYS A 65 -3.817 5.393 -16.453 1.00 34.11 H new ATOM 0 HB2 LYS A 65 -2.582 3.267 -16.575 1.00 62.14 H new ATOM 0 HB3 LYS A 65 -3.895 2.428 -15.774 1.00 62.14 H new ATOM 0 HG2 LYS A 65 -4.433 3.889 -18.352 1.00 45.01 H new ATOM 0 HG3 LYS A 65 -3.637 2.329 -18.392 1.00 45.01 H new ATOM 0 HD2 LYS A 65 -6.257 2.831 -16.935 1.00 32.34 H new ATOM 0 HD3 LYS A 65 -6.170 2.274 -18.594 1.00 32.34 H new ATOM 0 HE2 LYS A 65 -4.803 0.814 -16.305 1.00 54.34 H new ATOM 0 HE3 LYS A 65 -6.452 0.472 -16.791 1.00 54.34 H new ATOM 0 HZ1 LYS A 65 -5.009 -1.044 -17.890 1.00 51.23 H new ATOM 0 HZ2 LYS A 65 -5.591 0.035 -19.065 1.00 51.23 H new ATOM 0 HZ3 LYS A 65 -4.011 0.203 -18.466 1.00 51.23 H new ATOM 1081 N ARG A 66 -6.189 3.778 -14.823 1.00 53.04 N ATOM 1082 CA ARG A 66 -7.638 3.665 -14.716 1.00 71.12 C ATOM 1083 C ARG A 66 -8.222 4.740 -13.804 1.00 54.25 C ATOM 1084 O ARG A 66 -9.420 5.013 -13.852 1.00 54.35 O ATOM 1085 CB ARG A 66 -8.036 2.270 -14.227 1.00 5.01 C ATOM 1086 CG ARG A 66 -7.587 1.944 -12.814 1.00 11.42 C ATOM 1087 CD ARG A 66 -7.879 0.493 -12.469 1.00 41.33 C ATOM 1088 NE ARG A 66 -9.295 0.158 -12.632 1.00 1.24 N ATOM 1089 CZ ARG A 66 -9.821 -1.029 -12.332 1.00 41.31 C ATOM 1090 NH1 ARG A 66 -9.049 -2.020 -11.907 1.00 53.35 N ATOM 1091 NH2 ARG A 66 -11.119 -1.238 -12.483 1.00 15.24 N ATOM 0 H ARG A 66 -5.666 3.157 -14.206 1.00 53.04 H new ATOM 0 HA ARG A 66 -8.053 3.818 -15.712 1.00 71.12 H new ATOM 0 HB2 ARG A 66 -9.121 2.176 -14.280 1.00 5.01 H new ATOM 0 HB3 ARG A 66 -7.618 1.528 -14.907 1.00 5.01 H new ATOM 0 HG2 ARG A 66 -6.519 2.137 -12.715 1.00 11.42 H new ATOM 0 HG3 ARG A 66 -8.096 2.599 -12.107 1.00 11.42 H new ATOM 0 HD2 ARG A 66 -7.278 -0.157 -13.105 1.00 41.33 H new ATOM 0 HD3 ARG A 66 -7.578 0.299 -11.440 1.00 41.33 H new ATOM 0 HE ARG A 66 -9.918 0.878 -12.998 1.00 1.24 H new ATOM 0 HH11 ARG A 66 -8.044 -1.877 -11.807 1.00 53.35 H new ATOM 0 HH12 ARG A 66 -9.460 -2.925 -11.680 1.00 53.35 H new ATOM 0 HH21 ARG A 66 -11.719 -0.490 -12.830 1.00 15.24 H new ATOM 0 HH22 ARG A 66 -11.519 -2.147 -12.253 1.00 15.24 H new ATOM 1105 N GLY A 67 -7.376 5.352 -12.985 1.00 75.24 N ATOM 1106 CA GLY A 67 -7.840 6.389 -12.086 1.00 22.54 C ATOM 1107 C GLY A 67 -7.088 7.692 -12.277 1.00 55.13 C ATOM 1108 O GLY A 67 -7.385 8.458 -13.196 1.00 31.12 O ATOM 0 H GLY A 67 -6.378 5.149 -12.928 1.00 75.24 H new ATOM 0 HA2 GLY A 67 -8.904 6.559 -12.248 1.00 22.54 H new ATOM 0 HA3 GLY A 67 -7.724 6.053 -11.056 1.00 22.54 H new ATOM 1112 N ALA A 68 -6.103 7.935 -11.422 1.00 14.35 N ATOM 1113 CA ALA A 68 -5.315 9.156 -11.486 1.00 63.54 C ATOM 1114 C ALA A 68 -3.993 8.976 -10.759 1.00 1.15 C ATOM 1115 O ALA A 68 -3.920 8.285 -9.741 1.00 21.24 O ATOM 1116 CB ALA A 68 -6.094 10.327 -10.895 1.00 52.04 C ATOM 0 H ALA A 68 -5.831 7.298 -10.673 1.00 14.35 H new ATOM 0 HA ALA A 68 -5.105 9.375 -12.533 1.00 63.54 H new ATOM 0 HB1 ALA A 68 -5.489 11.232 -10.951 1.00 52.04 H new ATOM 0 HB2 ALA A 68 -7.016 10.471 -11.458 1.00 52.04 H new ATOM 0 HB3 ALA A 68 -6.334 10.115 -9.853 1.00 52.04 H new ATOM 1122 N PRO A 69 -2.930 9.598 -11.281 1.00 24.12 N ATOM 1123 CA PRO A 69 -1.592 9.511 -10.697 1.00 44.52 C ATOM 1124 C PRO A 69 -1.510 10.223 -9.350 1.00 41.24 C ATOM 1125 O PRO A 69 -0.764 9.813 -8.463 1.00 50.31 O ATOM 1126 CB PRO A 69 -0.691 10.202 -11.729 1.00 53.55 C ATOM 1127 CG PRO A 69 -1.524 10.361 -12.957 1.00 23.31 C ATOM 1128 CD PRO A 69 -2.945 10.427 -12.493 1.00 34.00 C ATOM 0 HA PRO A 69 -1.303 8.479 -10.497 1.00 44.52 H new ATOM 0 HB2 PRO A 69 -0.347 11.169 -11.362 1.00 53.55 H new ATOM 0 HB3 PRO A 69 0.197 9.605 -11.934 1.00 53.55 H new ATOM 0 HG2 PRO A 69 -1.249 11.266 -13.499 1.00 23.31 H new ATOM 0 HG3 PRO A 69 -1.376 9.524 -13.639 1.00 23.31 H new ATOM 0 HD2 PRO A 69 -3.254 11.450 -12.279 1.00 34.00 H new ATOM 0 HD3 PRO A 69 -3.634 10.036 -13.242 1.00 34.00 H new ATOM 1136 N SER A 70 -2.300 11.279 -9.205 1.00 14.43 N ATOM 1137 CA SER A 70 -2.357 12.037 -7.965 1.00 74.04 C ATOM 1138 C SER A 70 -2.829 11.152 -6.811 1.00 51.25 C ATOM 1139 O SER A 70 -2.369 11.291 -5.677 1.00 64.31 O ATOM 1140 CB SER A 70 -3.299 13.224 -8.144 1.00 44.14 C ATOM 1141 OG SER A 70 -3.033 13.888 -9.370 1.00 42.22 O ATOM 0 H SER A 70 -2.915 11.631 -9.939 1.00 14.43 H new ATOM 0 HA SER A 70 -1.358 12.400 -7.723 1.00 74.04 H new ATOM 0 HB2 SER A 70 -4.333 12.881 -8.126 1.00 44.14 H new ATOM 0 HB3 SER A 70 -3.179 13.919 -7.313 1.00 44.14 H new ATOM 0 HG SER A 70 -3.646 14.646 -9.471 1.00 42.22 H new ATOM 1147 N ILE A 71 -3.738 10.230 -7.116 1.00 42.30 N ATOM 1148 CA ILE A 71 -4.232 9.282 -6.128 1.00 24.13 C ATOM 1149 C ILE A 71 -3.123 8.314 -5.737 1.00 64.30 C ATOM 1150 O ILE A 71 -2.856 8.106 -4.557 1.00 73.10 O ATOM 1151 CB ILE A 71 -5.444 8.488 -6.667 1.00 14.41 C ATOM 1152 CG1 ILE A 71 -6.566 9.448 -7.076 1.00 71.12 C ATOM 1153 CG2 ILE A 71 -5.944 7.500 -5.621 1.00 64.22 C ATOM 1154 CD1 ILE A 71 -7.769 8.762 -7.694 1.00 65.25 C ATOM 0 H ILE A 71 -4.147 10.121 -8.044 1.00 42.30 H new ATOM 0 HA ILE A 71 -4.554 9.847 -5.253 1.00 24.13 H new ATOM 0 HB ILE A 71 -5.128 7.926 -7.546 1.00 14.41 H new ATOM 0 HG12 ILE A 71 -6.890 10.007 -6.198 1.00 71.12 H new ATOM 0 HG13 ILE A 71 -6.169 10.173 -7.787 1.00 71.12 H new ATOM 0 HG21 ILE A 71 -6.797 6.950 -6.018 1.00 64.22 H new ATOM 0 HG22 ILE A 71 -5.146 6.801 -5.371 1.00 64.22 H new ATOM 0 HG23 ILE A 71 -6.247 8.041 -4.725 1.00 64.22 H new ATOM 0 HD11 ILE A 71 -8.519 9.509 -7.956 1.00 65.25 H new ATOM 0 HD12 ILE A 71 -7.461 8.226 -8.592 1.00 65.25 H new ATOM 0 HD13 ILE A 71 -8.193 8.057 -6.979 1.00 65.25 H new ATOM 1166 N ALA A 72 -2.458 7.759 -6.743 1.00 24.23 N ATOM 1167 CA ALA A 72 -1.382 6.799 -6.520 1.00 52.35 C ATOM 1168 C ALA A 72 -0.248 7.411 -5.706 1.00 21.03 C ATOM 1169 O ALA A 72 0.373 6.737 -4.885 1.00 71.31 O ATOM 1170 CB ALA A 72 -0.852 6.290 -7.849 1.00 10.51 C ATOM 0 H ALA A 72 -2.646 7.958 -7.726 1.00 24.23 H new ATOM 0 HA ALA A 72 -1.792 5.964 -5.951 1.00 52.35 H new ATOM 0 HB1 ALA A 72 -0.049 5.574 -7.671 1.00 10.51 H new ATOM 0 HB2 ALA A 72 -1.657 5.803 -8.399 1.00 10.51 H new ATOM 0 HB3 ALA A 72 -0.469 7.127 -8.432 1.00 10.51 H new ATOM 1176 N ASN A 73 0.013 8.692 -5.936 1.00 2.34 N ATOM 1177 CA ASN A 73 1.063 9.408 -5.232 1.00 13.14 C ATOM 1178 C ASN A 73 0.708 9.572 -3.757 1.00 13.21 C ATOM 1179 O ASN A 73 1.588 9.605 -2.896 1.00 32.11 O ATOM 1180 CB ASN A 73 1.279 10.767 -5.903 1.00 54.24 C ATOM 1181 CG ASN A 73 2.321 11.626 -5.218 1.00 23.45 C ATOM 1182 OD1 ASN A 73 3.516 11.534 -5.509 1.00 45.01 O ATOM 1183 ND2 ASN A 73 1.873 12.488 -4.324 1.00 3.25 N ATOM 0 H ASN A 73 -0.496 9.259 -6.613 1.00 2.34 H new ATOM 0 HA ASN A 73 1.990 8.836 -5.282 1.00 13.14 H new ATOM 0 HB2 ASN A 73 1.577 10.607 -6.939 1.00 54.24 H new ATOM 0 HB3 ASN A 73 0.332 11.307 -5.923 1.00 54.24 H new ATOM 0 HD21 ASN A 73 2.524 13.110 -3.845 1.00 3.25 H new ATOM 0 HD22 ASN A 73 0.876 12.532 -4.113 1.00 3.25 H new ATOM 1190 N ASP A 74 -0.579 9.673 -3.463 1.00 42.01 N ATOM 1191 CA ASP A 74 -1.025 9.716 -2.078 1.00 41.13 C ATOM 1192 C ASP A 74 -0.963 8.318 -1.476 1.00 4.33 C ATOM 1193 O ASP A 74 -0.535 8.143 -0.337 1.00 71.15 O ATOM 1194 CB ASP A 74 -2.439 10.285 -1.961 1.00 62.23 C ATOM 1195 CG ASP A 74 -2.813 10.599 -0.523 1.00 11.51 C ATOM 1196 OD1 ASP A 74 -2.211 11.528 0.061 1.00 5.00 O ATOM 1197 OD2 ASP A 74 -3.721 9.939 0.028 1.00 25.14 O ATOM 0 H ASP A 74 -1.326 9.726 -4.155 1.00 42.01 H new ATOM 0 HA ASP A 74 -0.359 10.379 -1.525 1.00 41.13 H new ATOM 0 HB2 ASP A 74 -2.515 11.192 -2.561 1.00 62.23 H new ATOM 0 HB3 ASP A 74 -3.152 9.570 -2.372 1.00 62.23 H new ATOM 1202 N THR A 75 -1.371 7.324 -2.261 1.00 71.41 N ATOM 1203 CA THR A 75 -1.322 5.926 -1.840 1.00 53.11 C ATOM 1204 C THR A 75 0.098 5.518 -1.435 1.00 31.40 C ATOM 1205 O THR A 75 0.301 4.908 -0.383 1.00 32.14 O ATOM 1206 CB THR A 75 -1.824 4.992 -2.961 1.00 52.45 C ATOM 1207 OG1 THR A 75 -3.116 5.420 -3.411 1.00 2.44 O ATOM 1208 CG2 THR A 75 -1.911 3.551 -2.479 1.00 55.34 C ATOM 0 H THR A 75 -1.743 7.463 -3.201 1.00 71.41 H new ATOM 0 HA THR A 75 -1.977 5.828 -0.975 1.00 53.11 H new ATOM 0 HB THR A 75 -1.110 5.040 -3.783 1.00 52.45 H new ATOM 0 HG1 THR A 75 -3.024 6.242 -3.936 1.00 2.44 H new ATOM 0 HG21 THR A 75 -2.268 2.917 -3.291 1.00 55.34 H new ATOM 0 HG22 THR A 75 -0.924 3.213 -2.161 1.00 55.34 H new ATOM 0 HG23 THR A 75 -2.603 3.489 -1.639 1.00 55.34 H new ATOM 1216 N LEU A 76 1.081 5.872 -2.258 1.00 65.53 N ATOM 1217 CA LEU A 76 2.476 5.556 -1.957 1.00 73.34 C ATOM 1218 C LEU A 76 2.937 6.317 -0.716 1.00 4.04 C ATOM 1219 O LEU A 76 3.816 5.866 0.021 1.00 73.41 O ATOM 1220 CB LEU A 76 3.389 5.819 -3.173 1.00 73.50 C ATOM 1221 CG LEU A 76 3.394 7.239 -3.752 1.00 21.41 C ATOM 1222 CD1 LEU A 76 4.339 8.150 -2.982 1.00 14.21 C ATOM 1223 CD2 LEU A 76 3.783 7.203 -5.219 1.00 23.50 C ATOM 0 H LEU A 76 0.940 6.375 -3.134 1.00 65.53 H new ATOM 0 HA LEU A 76 2.549 4.491 -1.739 1.00 73.34 H new ATOM 0 HB2 LEU A 76 4.411 5.566 -2.889 1.00 73.50 H new ATOM 0 HB3 LEU A 76 3.100 5.131 -3.968 1.00 73.50 H new ATOM 0 HG LEU A 76 2.386 7.644 -3.657 1.00 21.41 H new ATOM 0 HD11 LEU A 76 4.318 9.148 -3.419 1.00 14.21 H new ATOM 0 HD12 LEU A 76 4.024 8.203 -1.940 1.00 14.21 H new ATOM 0 HD13 LEU A 76 5.352 7.752 -3.035 1.00 14.21 H new ATOM 0 HD21 LEU A 76 3.783 8.216 -5.620 1.00 23.50 H new ATOM 0 HD22 LEU A 76 4.779 6.772 -5.321 1.00 23.50 H new ATOM 0 HD23 LEU A 76 3.066 6.595 -5.771 1.00 23.50 H new ATOM 1235 N ARG A 77 2.328 7.474 -0.487 1.00 13.34 N ATOM 1236 CA ARG A 77 2.625 8.287 0.684 1.00 73.21 C ATOM 1237 C ARG A 77 2.176 7.570 1.960 1.00 41.14 C ATOM 1238 O ARG A 77 2.794 7.711 3.015 1.00 22.32 O ATOM 1239 CB ARG A 77 1.936 9.646 0.564 1.00 34.24 C ATOM 1240 CG ARG A 77 2.533 10.723 1.448 1.00 22.32 C ATOM 1241 CD ARG A 77 1.829 12.048 1.231 1.00 64.32 C ATOM 1242 NE ARG A 77 2.623 13.172 1.718 1.00 64.32 N ATOM 1243 CZ ARG A 77 2.687 14.352 1.104 1.00 73.01 C ATOM 1244 NH1 ARG A 77 1.961 14.582 0.016 1.00 75.42 N ATOM 1245 NH2 ARG A 77 3.475 15.304 1.574 1.00 12.34 N ATOM 0 H ARG A 77 1.619 7.872 -1.103 1.00 13.34 H new ATOM 0 HA ARG A 77 3.702 8.443 0.740 1.00 73.21 H new ATOM 0 HB2 ARG A 77 1.984 9.975 -0.474 1.00 34.24 H new ATOM 0 HB3 ARG A 77 0.881 9.530 0.813 1.00 34.24 H new ATOM 0 HG2 ARG A 77 2.450 10.429 2.494 1.00 22.32 H new ATOM 0 HG3 ARG A 77 3.596 10.831 1.231 1.00 22.32 H new ATOM 0 HD2 ARG A 77 1.625 12.181 0.169 1.00 64.32 H new ATOM 0 HD3 ARG A 77 0.866 12.035 1.742 1.00 64.32 H new ATOM 0 HE ARG A 77 3.159 13.047 2.577 1.00 64.32 H new ATOM 0 HH11 ARG A 77 1.351 13.853 -0.353 1.00 75.42 H new ATOM 0 HH12 ARG A 77 2.014 15.488 -0.450 1.00 75.42 H new ATOM 0 HH21 ARG A 77 4.036 15.136 2.409 1.00 12.34 H new ATOM 0 HH22 ARG A 77 3.522 16.207 1.102 1.00 12.34 H new ATOM 1259 N TRP A 78 1.081 6.817 1.868 1.00 14.32 N ATOM 1260 CA TRP A 78 0.625 5.995 2.988 1.00 32.54 C ATOM 1261 C TRP A 78 1.550 4.793 3.181 1.00 32.13 C ATOM 1262 O TRP A 78 1.816 4.373 4.310 1.00 31.55 O ATOM 1263 CB TRP A 78 -0.811 5.504 2.772 1.00 41.45 C ATOM 1264 CG TRP A 78 -1.842 6.594 2.786 1.00 62.44 C ATOM 1265 CD1 TRP A 78 -2.413 7.189 1.703 1.00 2.12 C ATOM 1266 CD2 TRP A 78 -2.435 7.204 3.939 1.00 65.12 C ATOM 1267 NE1 TRP A 78 -3.312 8.142 2.106 1.00 62.34 N ATOM 1268 CE2 TRP A 78 -3.349 8.170 3.474 1.00 53.20 C ATOM 1269 CE3 TRP A 78 -2.283 7.032 5.318 1.00 32.54 C ATOM 1270 CZ2 TRP A 78 -4.105 8.959 4.336 1.00 4.21 C ATOM 1271 CZ3 TRP A 78 -3.034 7.816 6.174 1.00 71.21 C ATOM 1272 CH2 TRP A 78 -3.935 8.769 5.680 1.00 45.05 C ATOM 0 H TRP A 78 0.496 6.759 1.035 1.00 14.32 H new ATOM 0 HA TRP A 78 0.648 6.618 3.882 1.00 32.54 H new ATOM 0 HB2 TRP A 78 -0.864 4.981 1.817 1.00 41.45 H new ATOM 0 HB3 TRP A 78 -1.055 4.778 3.547 1.00 41.45 H new ATOM 0 HD1 TRP A 78 -2.190 6.945 0.675 1.00 2.12 H new ATOM 0 HE1 TRP A 78 -3.864 8.735 1.486 1.00 62.34 H new ATOM 0 HE3 TRP A 78 -1.591 6.300 5.708 1.00 32.54 H new ATOM 0 HZ2 TRP A 78 -4.800 9.694 3.958 1.00 4.21 H new ATOM 0 HZ3 TRP A 78 -2.924 7.692 7.241 1.00 71.21 H new ATOM 0 HH2 TRP A 78 -4.507 9.366 6.375 1.00 45.05 H new ATOM 1283 N LEU A 79 2.041 4.249 2.066 1.00 13.04 N ATOM 1284 CA LEU A 79 2.950 3.102 2.092 1.00 5.13 C ATOM 1285 C LEU A 79 4.197 3.418 2.913 1.00 21.44 C ATOM 1286 O LEU A 79 4.742 2.544 3.593 1.00 4.13 O ATOM 1287 CB LEU A 79 3.357 2.703 0.670 1.00 3.34 C ATOM 1288 CG LEU A 79 2.205 2.335 -0.268 1.00 40.32 C ATOM 1289 CD1 LEU A 79 2.741 1.946 -1.635 1.00 60.52 C ATOM 1290 CD2 LEU A 79 1.373 1.205 0.320 1.00 72.11 C ATOM 0 H LEU A 79 1.823 4.587 1.129 1.00 13.04 H new ATOM 0 HA LEU A 79 2.423 2.269 2.557 1.00 5.13 H new ATOM 0 HB2 LEU A 79 3.914 3.528 0.226 1.00 3.34 H new ATOM 0 HB3 LEU A 79 4.038 1.854 0.731 1.00 3.34 H new ATOM 0 HG LEU A 79 1.562 3.208 -0.382 1.00 40.32 H new ATOM 0 HD11 LEU A 79 1.910 1.687 -2.291 1.00 60.52 H new ATOM 0 HD12 LEU A 79 3.293 2.784 -2.061 1.00 60.52 H new ATOM 0 HD13 LEU A 79 3.405 1.088 -1.535 1.00 60.52 H new ATOM 0 HD21 LEU A 79 0.560 0.959 -0.362 1.00 72.11 H new ATOM 0 HD22 LEU A 79 2.003 0.327 0.466 1.00 72.11 H new ATOM 0 HD23 LEU A 79 0.960 1.518 1.279 1.00 72.11 H new ATOM 1302 N LYS A 80 4.630 4.674 2.841 1.00 33.14 N ATOM 1303 CA LYS A 80 5.729 5.184 3.635 1.00 53.35 C ATOM 1304 C LYS A 80 5.598 4.767 5.102 1.00 24.41 C ATOM 1305 O LYS A 80 6.515 4.176 5.676 1.00 34.23 O ATOM 1306 CB LYS A 80 5.718 6.708 3.519 1.00 64.01 C ATOM 1307 CG LYS A 80 6.620 7.427 4.497 1.00 13.14 C ATOM 1308 CD LYS A 80 8.043 7.528 3.996 1.00 45.31 C ATOM 1309 CE LYS A 80 8.794 6.206 4.061 1.00 25.44 C ATOM 1310 NZ LYS A 80 10.238 6.389 3.760 1.00 15.02 N ATOM 0 H LYS A 80 4.218 5.370 2.220 1.00 33.14 H new ATOM 0 HA LYS A 80 6.669 4.773 3.266 1.00 53.35 H new ATOM 0 HB2 LYS A 80 6.012 6.983 2.506 1.00 64.01 H new ATOM 0 HB3 LYS A 80 4.697 7.061 3.661 1.00 64.01 H new ATOM 0 HG2 LYS A 80 6.229 8.428 4.680 1.00 13.14 H new ATOM 0 HG3 LYS A 80 6.610 6.901 5.452 1.00 13.14 H new ATOM 0 HD2 LYS A 80 8.035 7.884 2.966 1.00 45.31 H new ATOM 0 HD3 LYS A 80 8.578 8.272 4.586 1.00 45.31 H new ATOM 0 HE2 LYS A 80 8.680 5.769 5.053 1.00 25.44 H new ATOM 0 HE3 LYS A 80 8.359 5.503 3.351 1.00 25.44 H new ATOM 0 HZ1 LYS A 80 10.723 5.470 3.812 1.00 15.02 H new ATOM 0 HZ2 LYS A 80 10.346 6.784 2.804 1.00 15.02 H new ATOM 0 HZ3 LYS A 80 10.657 7.041 4.453 1.00 15.02 H new ATOM 1324 N ARG A 81 4.448 5.067 5.688 1.00 3.42 N ATOM 1325 CA ARG A 81 4.210 4.789 7.098 1.00 51.53 C ATOM 1326 C ARG A 81 4.021 3.293 7.331 1.00 23.02 C ATOM 1327 O ARG A 81 4.633 2.714 8.226 1.00 44.20 O ATOM 1328 CB ARG A 81 2.966 5.539 7.580 1.00 71.00 C ATOM 1329 CG ARG A 81 2.862 6.961 7.055 1.00 63.02 C ATOM 1330 CD ARG A 81 1.619 7.656 7.583 1.00 61.34 C ATOM 1331 NE ARG A 81 1.335 8.901 6.863 1.00 74.22 N ATOM 1332 CZ ARG A 81 1.071 10.071 7.447 1.00 71.03 C ATOM 1333 NH1 ARG A 81 1.107 10.194 8.768 1.00 42.31 N ATOM 1334 NH2 ARG A 81 0.775 11.125 6.696 1.00 70.11 N ATOM 0 H ARG A 81 3.662 5.505 5.207 1.00 3.42 H new ATOM 0 HA ARG A 81 5.080 5.126 7.661 1.00 51.53 H new ATOM 0 HB2 ARG A 81 2.079 4.984 7.276 1.00 71.00 H new ATOM 0 HB3 ARG A 81 2.968 5.564 8.670 1.00 71.00 H new ATOM 0 HG2 ARG A 81 3.748 7.524 7.348 1.00 63.02 H new ATOM 0 HG3 ARG A 81 2.838 6.948 5.965 1.00 63.02 H new ATOM 0 HD2 ARG A 81 0.765 6.985 7.496 1.00 61.34 H new ATOM 0 HD3 ARG A 81 1.748 7.872 8.643 1.00 61.34 H new ATOM 0 HE ARG A 81 1.340 8.871 5.843 1.00 74.22 H new ATOM 0 HH11 ARG A 81 1.339 9.388 9.349 1.00 42.31 H new ATOM 0 HH12 ARG A 81 0.903 11.094 9.202 1.00 42.31 H new ATOM 0 HH21 ARG A 81 0.751 11.037 5.680 1.00 70.11 H new ATOM 0 HH22 ARG A 81 0.572 12.023 7.135 1.00 70.11 H new ATOM 1348 N MET A 82 3.173 2.677 6.510 1.00 32.05 N ATOM 1349 CA MET A 82 2.802 1.269 6.685 1.00 43.30 C ATOM 1350 C MET A 82 4.020 0.342 6.677 1.00 10.15 C ATOM 1351 O MET A 82 4.162 -0.507 7.558 1.00 2.14 O ATOM 1352 CB MET A 82 1.818 0.832 5.596 1.00 41.11 C ATOM 1353 CG MET A 82 1.262 -0.567 5.815 1.00 10.21 C ATOM 1354 SD MET A 82 0.109 -1.071 4.526 1.00 73.53 S ATOM 1355 CE MET A 82 1.201 -1.190 3.112 1.00 35.50 C ATOM 0 H MET A 82 2.727 3.131 5.713 1.00 32.05 H new ATOM 0 HA MET A 82 2.327 1.188 7.663 1.00 43.30 H new ATOM 0 HB2 MET A 82 0.992 1.542 5.556 1.00 41.11 H new ATOM 0 HB3 MET A 82 2.318 0.870 4.628 1.00 41.11 H new ATOM 0 HG2 MET A 82 2.087 -1.278 5.856 1.00 10.21 H new ATOM 0 HG3 MET A 82 0.759 -0.606 6.781 1.00 10.21 H new ATOM 0 HE1 MET A 82 0.690 -1.708 2.301 1.00 35.50 H new ATOM 0 HE2 MET A 82 1.481 -0.189 2.784 1.00 35.50 H new ATOM 0 HE3 MET A 82 2.097 -1.745 3.390 1.00 35.50 H new ATOM 1365 N PHE A 83 4.896 0.508 5.694 1.00 64.11 N ATOM 1366 CA PHE A 83 6.052 -0.376 5.554 1.00 63.01 C ATOM 1367 C PHE A 83 7.065 -0.166 6.677 1.00 43.55 C ATOM 1368 O PHE A 83 7.843 -1.069 6.991 1.00 61.13 O ATOM 1369 CB PHE A 83 6.717 -0.205 4.185 1.00 35.40 C ATOM 1370 CG PHE A 83 5.929 -0.816 3.062 1.00 32.42 C ATOM 1371 CD1 PHE A 83 5.648 -2.172 3.060 1.00 31.00 C ATOM 1372 CD2 PHE A 83 5.466 -0.041 2.012 1.00 21.12 C ATOM 1373 CE1 PHE A 83 4.923 -2.745 2.035 1.00 43.35 C ATOM 1374 CE2 PHE A 83 4.739 -0.608 0.982 1.00 73.31 C ATOM 1375 CZ PHE A 83 4.468 -1.960 0.993 1.00 21.04 C ATOM 0 H PHE A 83 4.832 1.239 4.986 1.00 64.11 H new ATOM 0 HA PHE A 83 5.684 -1.399 5.629 1.00 63.01 H new ATOM 0 HB2 PHE A 83 6.856 0.858 3.986 1.00 35.40 H new ATOM 0 HB3 PHE A 83 7.709 -0.656 4.211 1.00 35.40 H new ATOM 0 HD1 PHE A 83 6.001 -2.790 3.872 1.00 31.00 H new ATOM 0 HD2 PHE A 83 5.675 1.018 1.998 1.00 21.12 H new ATOM 0 HE1 PHE A 83 4.712 -3.804 2.047 1.00 43.35 H new ATOM 0 HE2 PHE A 83 4.383 0.008 0.169 1.00 73.31 H new ATOM 0 HZ PHE A 83 3.901 -2.405 0.188 1.00 21.04 H new ATOM 1385 N ASN A 84 7.049 1.018 7.280 1.00 72.35 N ATOM 1386 CA ASN A 84 7.924 1.316 8.410 1.00 71.54 C ATOM 1387 C ASN A 84 7.611 0.393 9.584 1.00 73.55 C ATOM 1388 O ASN A 84 8.510 -0.172 10.211 1.00 40.11 O ATOM 1389 CB ASN A 84 7.762 2.774 8.843 1.00 24.10 C ATOM 1390 CG ASN A 84 8.583 3.094 10.071 1.00 3.44 C ATOM 1391 OD1 ASN A 84 8.119 2.961 11.205 1.00 4.14 O ATOM 1392 ND2 ASN A 84 9.809 3.525 9.860 1.00 11.42 N ATOM 0 H ASN A 84 6.439 1.788 7.005 1.00 72.35 H new ATOM 0 HA ASN A 84 8.955 1.153 8.095 1.00 71.54 H new ATOM 0 HB2 ASN A 84 8.061 3.430 8.026 1.00 24.10 H new ATOM 0 HB3 ASN A 84 6.711 2.977 9.047 1.00 24.10 H new ATOM 0 HD21 ASN A 84 10.409 3.762 10.650 1.00 11.42 H new ATOM 0 HD22 ASN A 84 10.158 3.622 8.907 1.00 11.42 H new ATOM 1399 N TYR A 85 6.322 0.246 9.864 1.00 54.35 N ATOM 1400 CA TYR A 85 5.845 -0.659 10.911 1.00 61.41 C ATOM 1401 C TYR A 85 6.372 -2.077 10.704 1.00 34.42 C ATOM 1402 O TYR A 85 6.727 -2.755 11.664 1.00 44.05 O ATOM 1403 CB TYR A 85 4.312 -0.691 10.948 1.00 54.44 C ATOM 1404 CG TYR A 85 3.675 0.518 11.594 1.00 64.21 C ATOM 1405 CD1 TYR A 85 3.544 1.715 10.905 1.00 14.42 C ATOM 1406 CD2 TYR A 85 3.190 0.453 12.893 1.00 30.15 C ATOM 1407 CE1 TYR A 85 2.947 2.815 11.492 1.00 23.04 C ATOM 1408 CE2 TYR A 85 2.594 1.547 13.489 1.00 42.20 C ATOM 1409 CZ TYR A 85 2.475 2.726 12.785 1.00 50.20 C ATOM 1410 OH TYR A 85 1.876 3.816 13.373 1.00 3.35 O ATOM 0 H TYR A 85 5.579 0.746 9.377 1.00 54.35 H new ATOM 0 HA TYR A 85 6.222 -0.279 11.860 1.00 61.41 H new ATOM 0 HB2 TYR A 85 3.938 -0.781 9.928 1.00 54.44 H new ATOM 0 HB3 TYR A 85 3.993 -1.584 11.485 1.00 54.44 H new ATOM 0 HD1 TYR A 85 3.915 1.789 9.893 1.00 14.42 H new ATOM 0 HD2 TYR A 85 3.280 -0.469 13.447 1.00 30.15 H new ATOM 0 HE1 TYR A 85 2.851 3.739 10.941 1.00 23.04 H new ATOM 0 HE2 TYR A 85 2.223 1.479 14.501 1.00 42.20 H new ATOM 0 HH TYR A 85 1.599 3.585 14.284 1.00 3.35 H new ATOM 1420 N ALA A 86 6.429 -2.517 9.450 1.00 75.45 N ATOM 1421 CA ALA A 86 6.897 -3.861 9.128 1.00 55.22 C ATOM 1422 C ALA A 86 8.364 -4.043 9.511 1.00 22.35 C ATOM 1423 O ALA A 86 8.778 -5.128 9.933 1.00 43.14 O ATOM 1424 CB ALA A 86 6.686 -4.154 7.650 1.00 0.10 C ATOM 0 H ALA A 86 6.156 -1.961 8.639 1.00 75.45 H new ATOM 0 HA ALA A 86 6.312 -4.572 9.711 1.00 55.22 H new ATOM 0 HB1 ALA A 86 7.040 -5.160 7.424 1.00 0.10 H new ATOM 0 HB2 ALA A 86 5.625 -4.081 7.412 1.00 0.10 H new ATOM 0 HB3 ALA A 86 7.242 -3.431 7.053 1.00 0.10 H new ATOM 1430 N ILE A 87 9.142 -2.977 9.371 1.00 43.24 N ATOM 1431 CA ILE A 87 10.546 -2.997 9.763 1.00 62.32 C ATOM 1432 C ILE A 87 10.661 -3.015 11.285 1.00 41.21 C ATOM 1433 O ILE A 87 11.492 -3.727 11.851 1.00 21.25 O ATOM 1434 CB ILE A 87 11.312 -1.779 9.197 1.00 54.21 C ATOM 1435 CG1 ILE A 87 11.167 -1.718 7.674 1.00 21.22 C ATOM 1436 CG2 ILE A 87 12.783 -1.849 9.586 1.00 61.14 C ATOM 1437 CD1 ILE A 87 11.809 -0.499 7.047 1.00 43.13 C ATOM 0 H ILE A 87 8.824 -2.087 8.988 1.00 43.24 H new ATOM 0 HA ILE A 87 10.995 -3.900 9.349 1.00 62.32 H new ATOM 0 HB ILE A 87 10.883 -0.872 9.623 1.00 54.21 H new ATOM 0 HG12 ILE A 87 11.610 -2.614 7.240 1.00 21.22 H new ATOM 0 HG13 ILE A 87 10.107 -1.731 7.419 1.00 21.22 H new ATOM 0 HG21 ILE A 87 13.308 -0.985 9.180 1.00 61.14 H new ATOM 0 HG22 ILE A 87 12.872 -1.851 10.672 1.00 61.14 H new ATOM 0 HG23 ILE A 87 13.222 -2.762 9.184 1.00 61.14 H new ATOM 0 HD11 ILE A 87 11.665 -0.527 5.967 1.00 43.13 H new ATOM 0 HD12 ILE A 87 11.350 0.403 7.452 1.00 43.13 H new ATOM 0 HD13 ILE A 87 12.876 -0.494 7.270 1.00 43.13 H new ATOM 1449 N LYS A 88 9.799 -2.248 11.946 1.00 71.44 N ATOM 1450 CA LYS A 88 9.771 -2.195 13.401 1.00 70.11 C ATOM 1451 C LYS A 88 9.310 -3.533 13.983 1.00 65.32 C ATOM 1452 O LYS A 88 9.697 -3.915 15.089 1.00 4.34 O ATOM 1453 CB LYS A 88 8.867 -1.038 13.852 1.00 72.40 C ATOM 1454 CG LYS A 88 8.589 -1.004 15.347 1.00 63.23 C ATOM 1455 CD LYS A 88 7.196 -1.529 15.659 1.00 73.52 C ATOM 1456 CE LYS A 88 6.128 -0.469 15.426 1.00 63.52 C ATOM 1457 NZ LYS A 88 6.194 0.628 16.432 1.00 53.04 N ATOM 0 H LYS A 88 9.107 -1.652 11.492 1.00 71.44 H new ATOM 0 HA LYS A 88 10.778 -2.013 13.777 1.00 70.11 H new ATOM 0 HB2 LYS A 88 9.330 -0.096 13.559 1.00 72.40 H new ATOM 0 HB3 LYS A 88 7.918 -1.106 13.320 1.00 72.40 H new ATOM 0 HG2 LYS A 88 9.333 -1.604 15.872 1.00 63.23 H new ATOM 0 HG3 LYS A 88 8.686 0.017 15.715 1.00 63.23 H new ATOM 0 HD2 LYS A 88 6.987 -2.399 15.036 1.00 73.52 H new ATOM 0 HD3 LYS A 88 7.157 -1.863 16.696 1.00 73.52 H new ATOM 0 HE2 LYS A 88 6.246 -0.050 14.427 1.00 63.52 H new ATOM 0 HE3 LYS A 88 5.143 -0.934 15.462 1.00 63.52 H new ATOM 0 HZ1 LYS A 88 5.308 1.172 16.411 1.00 53.04 H new ATOM 0 HZ2 LYS A 88 6.328 0.222 17.380 1.00 53.04 H new ATOM 0 HZ3 LYS A 88 6.992 1.256 16.209 1.00 53.04 H new ATOM 1471 N ARG A 89 8.492 -4.248 13.223 1.00 13.35 N ATOM 1472 CA ARG A 89 8.053 -5.584 13.607 1.00 42.03 C ATOM 1473 C ARG A 89 9.149 -6.610 13.330 1.00 22.24 C ATOM 1474 O ARG A 89 9.016 -7.778 13.688 1.00 14.13 O ATOM 1475 CB ARG A 89 6.775 -5.965 12.854 1.00 22.50 C ATOM 1476 CG ARG A 89 5.535 -5.197 13.295 1.00 53.45 C ATOM 1477 CD ARG A 89 4.938 -5.757 14.582 1.00 71.21 C ATOM 1478 NE ARG A 89 5.878 -5.707 15.707 1.00 70.13 N ATOM 1479 CZ ARG A 89 5.680 -6.325 16.873 1.00 4.42 C ATOM 1480 NH1 ARG A 89 4.541 -6.967 17.112 1.00 44.33 N ATOM 1481 NH2 ARG A 89 6.613 -6.282 17.815 1.00 2.24 N ATOM 0 H ARG A 89 8.117 -3.923 12.332 1.00 13.35 H new ATOM 0 HA ARG A 89 7.842 -5.579 14.676 1.00 42.03 H new ATOM 0 HB2 ARG A 89 6.932 -5.798 11.788 1.00 22.50 H new ATOM 0 HB3 ARG A 89 6.594 -7.032 12.986 1.00 22.50 H new ATOM 0 HG2 ARG A 89 5.793 -4.148 13.442 1.00 53.45 H new ATOM 0 HG3 ARG A 89 4.787 -5.233 12.503 1.00 53.45 H new ATOM 0 HD2 ARG A 89 4.041 -5.193 14.837 1.00 71.21 H new ATOM 0 HD3 ARG A 89 4.630 -6.789 14.416 1.00 71.21 H new ATOM 0 HE ARG A 89 6.735 -5.167 15.591 1.00 70.13 H new ATOM 0 HH11 ARG A 89 3.810 -6.990 16.401 1.00 44.33 H new ATOM 0 HH12 ARG A 89 4.398 -7.437 18.006 1.00 44.33 H new ATOM 0 HH21 ARG A 89 7.483 -5.776 17.648 1.00 2.24 H new ATOM 0 HH22 ARG A 89 6.460 -6.755 18.706 1.00 2.24 H new ATOM 1495 N HIS A 90 10.230 -6.152 12.691 1.00 12.02 N ATOM 1496 CA HIS A 90 11.381 -7.000 12.365 1.00 12.32 C ATOM 1497 C HIS A 90 11.009 -8.074 11.348 1.00 21.15 C ATOM 1498 O HIS A 90 11.634 -9.133 11.289 1.00 23.23 O ATOM 1499 CB HIS A 90 11.973 -7.640 13.628 1.00 62.30 C ATOM 1500 CG HIS A 90 12.664 -6.661 14.531 1.00 64.12 C ATOM 1501 ND1 HIS A 90 12.369 -6.527 15.870 1.00 43.34 N ATOM 1502 CD2 HIS A 90 13.660 -5.777 14.279 1.00 32.23 C ATOM 1503 CE1 HIS A 90 13.149 -5.604 16.401 1.00 72.05 C ATOM 1504 NE2 HIS A 90 13.942 -5.133 15.459 1.00 40.23 N ATOM 0 H HIS A 90 10.332 -5.184 12.385 1.00 12.02 H new ATOM 0 HA HIS A 90 12.141 -6.359 11.918 1.00 12.32 H new ATOM 0 HB2 HIS A 90 11.175 -8.133 14.183 1.00 62.30 H new ATOM 0 HB3 HIS A 90 12.682 -8.414 13.335 1.00 62.30 H new ATOM 0 HD2 HIS A 90 14.142 -5.610 13.327 1.00 32.23 H new ATOM 0 HE1 HIS A 90 13.139 -5.288 17.434 1.00 72.05 H new ATOM 0 HE2 HIS A 90 14.649 -4.409 15.586 1.00 40.23 H new ATOM 1513 N ILE A 91 10.003 -7.782 10.533 1.00 31.53 N ATOM 1514 CA ILE A 91 9.585 -8.695 9.481 1.00 10.21 C ATOM 1515 C ILE A 91 10.459 -8.504 8.248 1.00 34.54 C ATOM 1516 O ILE A 91 10.873 -9.470 7.605 1.00 10.12 O ATOM 1517 CB ILE A 91 8.103 -8.481 9.100 1.00 53.32 C ATOM 1518 CG1 ILE A 91 7.207 -8.683 10.325 1.00 12.40 C ATOM 1519 CG2 ILE A 91 7.693 -9.424 7.975 1.00 71.41 C ATOM 1520 CD1 ILE A 91 5.738 -8.430 10.053 1.00 41.41 C ATOM 0 H ILE A 91 9.462 -6.919 10.582 1.00 31.53 H new ATOM 0 HA ILE A 91 9.697 -9.711 9.860 1.00 10.21 H new ATOM 0 HB ILE A 91 7.982 -7.458 8.745 1.00 53.32 H new ATOM 0 HG12 ILE A 91 7.330 -9.703 10.690 1.00 12.40 H new ATOM 0 HG13 ILE A 91 7.540 -8.017 11.121 1.00 12.40 H new ATOM 0 HG21 ILE A 91 6.646 -9.256 7.723 1.00 71.41 H new ATOM 0 HG22 ILE A 91 8.312 -9.235 7.098 1.00 71.41 H new ATOM 0 HG23 ILE A 91 7.827 -10.456 8.298 1.00 71.41 H new ATOM 0 HD11 ILE A 91 5.166 -8.593 10.966 1.00 41.41 H new ATOM 0 HD12 ILE A 91 5.602 -7.402 9.718 1.00 41.41 H new ATOM 0 HD13 ILE A 91 5.388 -9.113 9.279 1.00 41.41 H new ATOM 1532 N ILE A 92 10.747 -7.247 7.934 1.00 71.40 N ATOM 1533 CA ILE A 92 11.580 -6.914 6.790 1.00 14.13 C ATOM 1534 C ILE A 92 12.690 -5.958 7.204 1.00 62.12 C ATOM 1535 O ILE A 92 12.664 -5.404 8.304 1.00 3.21 O ATOM 1536 CB ILE A 92 10.764 -6.267 5.644 1.00 75.31 C ATOM 1537 CG1 ILE A 92 10.108 -4.965 6.119 1.00 34.54 C ATOM 1538 CG2 ILE A 92 9.713 -7.237 5.121 1.00 44.30 C ATOM 1539 CD1 ILE A 92 9.438 -4.181 5.011 1.00 74.52 C ATOM 0 H ILE A 92 10.413 -6.439 8.460 1.00 71.40 H new ATOM 0 HA ILE A 92 12.005 -7.849 6.425 1.00 14.13 H new ATOM 0 HB ILE A 92 11.447 -6.029 4.828 1.00 75.31 H new ATOM 0 HG12 ILE A 92 9.368 -5.200 6.884 1.00 34.54 H new ATOM 0 HG13 ILE A 92 10.865 -4.338 6.589 1.00 34.54 H new ATOM 0 HG21 ILE A 92 9.150 -6.764 4.316 1.00 44.30 H new ATOM 0 HG22 ILE A 92 10.202 -8.135 4.743 1.00 44.30 H new ATOM 0 HG23 ILE A 92 9.033 -7.508 5.929 1.00 44.30 H new ATOM 0 HD11 ILE A 92 8.997 -3.273 5.423 1.00 74.52 H new ATOM 0 HD12 ILE A 92 10.177 -3.914 4.256 1.00 74.52 H new ATOM 0 HD13 ILE A 92 8.657 -4.790 4.555 1.00 74.52 H new ATOM 1551 N GLU A 93 13.659 -5.771 6.323 1.00 74.43 N ATOM 1552 CA GLU A 93 14.756 -4.851 6.574 1.00 55.51 C ATOM 1553 C GLU A 93 14.679 -3.677 5.603 1.00 23.10 C ATOM 1554 O GLU A 93 14.921 -2.529 5.973 1.00 72.24 O ATOM 1555 CB GLU A 93 16.090 -5.586 6.436 1.00 71.43 C ATOM 1556 CG GLU A 93 17.311 -4.724 6.688 1.00 23.35 C ATOM 1557 CD GLU A 93 18.593 -5.521 6.608 1.00 72.11 C ATOM 1558 OE1 GLU A 93 18.932 -5.997 5.507 1.00 12.13 O ATOM 1559 OE2 GLU A 93 19.253 -5.702 7.652 1.00 74.31 O ATOM 0 H GLU A 93 13.708 -6.247 5.422 1.00 74.43 H new ATOM 0 HA GLU A 93 14.680 -4.463 7.590 1.00 55.51 H new ATOM 0 HB2 GLU A 93 16.102 -6.424 7.133 1.00 71.43 H new ATOM 0 HB3 GLU A 93 16.157 -6.005 5.432 1.00 71.43 H new ATOM 0 HG2 GLU A 93 17.341 -3.915 5.958 1.00 23.35 H new ATOM 0 HG3 GLU A 93 17.232 -4.262 7.672 1.00 23.35 H new ATOM 1566 N TYR A 94 14.334 -3.977 4.360 1.00 3.40 N ATOM 1567 CA TYR A 94 14.121 -2.950 3.354 1.00 1.33 C ATOM 1568 C TYR A 94 12.677 -2.991 2.880 1.00 61.35 C ATOM 1569 O TYR A 94 12.072 -4.061 2.813 1.00 12.44 O ATOM 1570 CB TYR A 94 15.064 -3.149 2.164 1.00 51.43 C ATOM 1571 CG TYR A 94 16.531 -3.102 2.527 1.00 33.05 C ATOM 1572 CD1 TYR A 94 17.161 -1.895 2.805 1.00 43.45 C ATOM 1573 CD2 TYR A 94 17.287 -4.266 2.585 1.00 55.34 C ATOM 1574 CE1 TYR A 94 18.502 -1.852 3.133 1.00 24.31 C ATOM 1575 CE2 TYR A 94 18.628 -4.230 2.912 1.00 43.22 C ATOM 1576 CZ TYR A 94 19.230 -3.023 3.184 1.00 52.11 C ATOM 1577 OH TYR A 94 20.566 -2.984 3.516 1.00 3.14 O ATOM 0 H TYR A 94 14.195 -4.930 4.023 1.00 3.40 H new ATOM 0 HA TYR A 94 14.332 -1.978 3.800 1.00 1.33 H new ATOM 0 HB2 TYR A 94 14.846 -4.110 1.698 1.00 51.43 H new ATOM 0 HB3 TYR A 94 14.860 -2.380 1.419 1.00 51.43 H new ATOM 0 HD1 TYR A 94 16.594 -0.977 2.764 1.00 43.45 H new ATOM 0 HD2 TYR A 94 16.818 -5.215 2.371 1.00 55.34 H new ATOM 0 HE1 TYR A 94 18.978 -0.907 3.348 1.00 24.31 H new ATOM 0 HE2 TYR A 94 19.201 -5.144 2.954 1.00 43.22 H new ATOM 0 HH TYR A 94 20.932 -3.893 3.508 1.00 3.14 H new ATOM 1587 N ASN A 95 12.122 -1.833 2.559 1.00 11.02 N ATOM 1588 CA ASN A 95 10.749 -1.760 2.087 1.00 22.31 C ATOM 1589 C ASN A 95 10.706 -1.737 0.562 1.00 14.25 C ATOM 1590 O ASN A 95 11.558 -1.127 -0.082 1.00 1.04 O ATOM 1591 CB ASN A 95 10.033 -0.523 2.662 1.00 23.55 C ATOM 1592 CG ASN A 95 10.709 0.801 2.313 1.00 42.22 C ATOM 1593 OD1 ASN A 95 11.927 0.878 2.167 1.00 21.32 O ATOM 1594 ND2 ASN A 95 9.917 1.858 2.187 1.00 50.42 N ATOM 0 H ASN A 95 12.600 -0.934 2.616 1.00 11.02 H new ATOM 0 HA ASN A 95 10.226 -2.650 2.437 1.00 22.31 H new ATOM 0 HB2 ASN A 95 9.008 -0.505 2.293 1.00 23.55 H new ATOM 0 HB3 ASN A 95 9.980 -0.618 3.747 1.00 23.55 H new ATOM 0 HD21 ASN A 95 10.315 2.770 1.962 1.00 50.42 H new ATOM 0 HD22 ASN A 95 8.910 1.759 2.315 1.00 50.42 H new ATOM 1601 N PRO A 96 9.704 -2.399 -0.037 1.00 33.15 N ATOM 1602 CA PRO A 96 9.543 -2.435 -1.495 1.00 63.43 C ATOM 1603 C PRO A 96 9.180 -1.070 -2.068 1.00 3.32 C ATOM 1604 O PRO A 96 9.351 -0.812 -3.259 1.00 3.12 O ATOM 1605 CB PRO A 96 8.396 -3.423 -1.708 1.00 62.24 C ATOM 1606 CG PRO A 96 7.655 -3.452 -0.416 1.00 34.24 C ATOM 1607 CD PRO A 96 8.672 -3.192 0.659 1.00 42.32 C ATOM 0 HA PRO A 96 10.466 -2.723 -1.998 1.00 63.43 H new ATOM 0 HB2 PRO A 96 7.749 -3.104 -2.525 1.00 62.24 H new ATOM 0 HB3 PRO A 96 8.773 -4.412 -1.967 1.00 62.24 H new ATOM 0 HG2 PRO A 96 6.871 -2.695 -0.401 1.00 34.24 H new ATOM 0 HG3 PRO A 96 7.170 -4.417 -0.267 1.00 34.24 H new ATOM 0 HD2 PRO A 96 8.241 -2.645 1.497 1.00 42.32 H new ATOM 0 HD3 PRO A 96 9.080 -4.120 1.060 1.00 42.32 H new ATOM 1615 N ALA A 97 8.693 -0.193 -1.203 1.00 33.55 N ATOM 1616 CA ALA A 97 8.300 1.145 -1.609 1.00 33.13 C ATOM 1617 C ALA A 97 9.480 2.103 -1.522 1.00 15.04 C ATOM 1618 O ALA A 97 9.301 3.316 -1.545 1.00 31.54 O ATOM 1619 CB ALA A 97 7.148 1.643 -0.751 1.00 55.32 C ATOM 0 H ALA A 97 8.561 -0.387 -0.210 1.00 33.55 H new ATOM 0 HA ALA A 97 7.968 1.104 -2.647 1.00 33.13 H new ATOM 0 HB1 ALA A 97 6.866 2.647 -1.068 1.00 55.32 H new ATOM 0 HB2 ALA A 97 6.295 0.974 -0.863 1.00 55.32 H new ATOM 0 HB3 ALA A 97 7.456 1.666 0.294 1.00 55.32 H new ATOM 1625 N ALA A 98 10.687 1.553 -1.431 1.00 74.51 N ATOM 1626 CA ALA A 98 11.898 2.366 -1.354 1.00 15.02 C ATOM 1627 C ALA A 98 12.070 3.213 -2.610 1.00 14.42 C ATOM 1628 O ALA A 98 12.591 4.329 -2.556 1.00 32.22 O ATOM 1629 CB ALA A 98 13.119 1.483 -1.148 1.00 30.43 C ATOM 0 H ALA A 98 10.853 0.547 -1.409 1.00 74.51 H new ATOM 0 HA ALA A 98 11.798 3.036 -0.500 1.00 15.02 H new ATOM 0 HB1 ALA A 98 14.013 2.105 -1.093 1.00 30.43 H new ATOM 0 HB2 ALA A 98 13.010 0.922 -0.220 1.00 30.43 H new ATOM 0 HB3 ALA A 98 13.211 0.789 -1.983 1.00 30.43 H new ATOM 1635 N ALA A 99 11.615 2.679 -3.738 1.00 72.34 N ATOM 1636 CA ALA A 99 11.715 3.374 -5.017 1.00 45.02 C ATOM 1637 C ALA A 99 10.518 4.292 -5.241 1.00 32.32 C ATOM 1638 O ALA A 99 10.468 5.039 -6.215 1.00 15.00 O ATOM 1639 CB ALA A 99 11.822 2.368 -6.151 1.00 24.33 C ATOM 0 H ALA A 99 11.171 1.762 -3.793 1.00 72.34 H new ATOM 0 HA ALA A 99 12.614 3.990 -4.998 1.00 45.02 H new ATOM 0 HB1 ALA A 99 11.896 2.897 -7.101 1.00 24.33 H new ATOM 0 HB2 ALA A 99 12.710 1.752 -6.008 1.00 24.33 H new ATOM 0 HB3 ALA A 99 10.937 1.732 -6.158 1.00 24.33 H new ATOM 1645 N PHE A 100 9.557 4.228 -4.332 1.00 73.13 N ATOM 1646 CA PHE A 100 8.341 5.028 -4.431 1.00 44.04 C ATOM 1647 C PHE A 100 8.222 5.898 -3.193 1.00 4.24 C ATOM 1648 O PHE A 100 7.149 6.387 -2.846 1.00 43.43 O ATOM 1649 CB PHE A 100 7.118 4.114 -4.559 1.00 12.22 C ATOM 1650 CG PHE A 100 7.282 3.047 -5.602 1.00 35.32 C ATOM 1651 CD1 PHE A 100 7.175 3.352 -6.949 1.00 11.51 C ATOM 1652 CD2 PHE A 100 7.561 1.741 -5.233 1.00 51.20 C ATOM 1653 CE1 PHE A 100 7.339 2.373 -7.907 1.00 62.20 C ATOM 1654 CE2 PHE A 100 7.729 0.759 -6.186 1.00 61.42 C ATOM 1655 CZ PHE A 100 7.619 1.075 -7.525 1.00 52.41 C ATOM 0 H PHE A 100 9.595 3.625 -3.510 1.00 73.13 H new ATOM 0 HA PHE A 100 8.389 5.661 -5.317 1.00 44.04 H new ATOM 0 HB2 PHE A 100 6.922 3.644 -3.595 1.00 12.22 H new ATOM 0 HB3 PHE A 100 6.245 4.719 -4.802 1.00 12.22 H new ATOM 0 HD1 PHE A 100 6.961 4.366 -7.252 1.00 11.51 H new ATOM 0 HD2 PHE A 100 7.648 1.489 -4.186 1.00 51.20 H new ATOM 0 HE1 PHE A 100 7.249 2.621 -8.954 1.00 62.20 H new ATOM 0 HE2 PHE A 100 7.946 -0.255 -5.885 1.00 61.42 H new ATOM 0 HZ PHE A 100 7.752 0.308 -8.274 1.00 52.41 H new