USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 981 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 ASN : amide:sc= 0.191 K(o=-6.2,f=0.42) USER MOD Set 1.2: A 24 ASN : amide:sc= -5.39! K(o=-6.2!,f=1.1) USER MOD Set 1.3: A 30 THR OG1 : rot 90:sc= -1.04 USER MOD Set 2.1: A 12 GLN : amide:sc= 0.0934 K(o=1,f=-1.7) USER MOD Set 2.2: A 104 LYS NZ :NH3+ 164:sc= 0.918! (180deg=0.341) USER MOD Single : A 5 LYS NZ :NH3+ 178:sc= -1.51! (180deg=-1.82!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -155:sc= 1.09 (180deg=-0.486) USER MOD Single : A 28 TYR OH : rot -80:sc= -0.8 USER MOD Single : A 29 GLN : amide:sc= -2.04 K(o=-2,f=-0.91) USER MOD Single : A 32 GLN : amide:sc= 1.04 K(o=1,f=-11!) USER MOD Single : A 35 ASN : amide:sc= -1.06 K(o=-1.1,f=-3.8!) USER MOD Single : A 38 GLN : amide:sc= -1.93! K(o=-1.9!,f=-0.95) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 156:sc= -0.258 (180deg=-1.1) USER MOD Single : A 56 LYS NZ :NH3+ -94:sc= -0.282 (180deg=-1.17!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 159:sc= -0.0426 (180deg=-0.269) USER MOD Single : A 69 MET CE :methyl -137:sc= -8.73! (180deg=-9.49!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -1.4 K(o=-1.4,f=-0.12) USER MOD Single : A 81 MET CE :methyl 163:sc= -0.463 (180deg=-1.17) USER MOD Single : A 82 THR OG1 : rot -140:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -123:sc= 0 (180deg=-1.7!) USER MOD Single : A 91 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.0012) USER MOD Single : A 93 SER OG : rot 7:sc= -1.39! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.393 USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N GLU A 4 5.905 -11.422 -1.893 1.00 0.63 N ATOM 52 CA GLU A 4 5.847 -10.085 -1.353 1.00 0.52 C ATOM 53 C GLU A 4 5.173 -9.155 -2.348 1.00 0.40 C ATOM 54 O GLU A 4 5.809 -8.585 -3.237 1.00 0.47 O ATOM 55 CB GLU A 4 7.231 -9.563 -0.945 1.00 0.62 C ATOM 56 CG GLU A 4 8.398 -10.145 -1.733 1.00 1.08 C ATOM 57 CD GLU A 4 8.751 -11.552 -1.301 1.00 1.31 C ATOM 58 OE1 GLU A 4 9.227 -11.725 -0.159 1.00 1.51 O ATOM 59 OE2 GLU A 4 8.550 -12.492 -2.102 1.00 1.90 O ATOM 0 HA GLU A 4 5.251 -10.116 -0.441 1.00 0.52 H new ATOM 0 HB2 GLU A 4 7.241 -8.479 -1.058 1.00 0.62 H new ATOM 0 HB3 GLU A 4 7.385 -9.775 0.113 1.00 0.62 H new ATOM 0 HG2 GLU A 4 8.149 -10.147 -2.794 1.00 1.08 H new ATOM 0 HG3 GLU A 4 9.270 -9.502 -1.611 1.00 1.08 H new ATOM 66 N LYS A 5 3.863 -9.054 -2.213 1.00 0.31 N ATOM 67 CA LYS A 5 3.053 -8.279 -3.129 1.00 0.26 C ATOM 68 C LYS A 5 2.594 -6.988 -2.486 1.00 0.21 C ATOM 69 O LYS A 5 2.462 -6.907 -1.271 1.00 0.21 O ATOM 70 CB LYS A 5 1.824 -9.057 -3.538 1.00 0.29 C ATOM 71 CG LYS A 5 1.255 -8.587 -4.863 1.00 0.34 C ATOM 72 CD LYS A 5 -0.253 -8.507 -4.844 1.00 0.39 C ATOM 73 CE LYS A 5 -0.859 -9.887 -4.962 1.00 0.39 C ATOM 74 NZ LYS A 5 -0.361 -10.592 -6.180 1.00 0.56 N ATOM 0 H LYS A 5 3.334 -9.506 -1.467 1.00 0.31 H new ATOM 0 HA LYS A 5 3.670 -8.060 -4.001 1.00 0.26 H new ATOM 0 HB2 LYS A 5 2.075 -10.115 -3.609 1.00 0.29 H new ATOM 0 HB3 LYS A 5 1.062 -8.961 -2.764 1.00 0.29 H new ATOM 0 HG2 LYS A 5 1.665 -7.607 -5.105 1.00 0.34 H new ATOM 0 HG3 LYS A 5 1.570 -9.268 -5.653 1.00 0.34 H new ATOM 0 HD2 LYS A 5 -0.586 -8.035 -3.920 1.00 0.39 H new ATOM 0 HD3 LYS A 5 -0.600 -7.880 -5.665 1.00 0.39 H new ATOM 0 HE2 LYS A 5 -0.615 -10.471 -4.075 1.00 0.39 H new ATOM 0 HE3 LYS A 5 -1.945 -9.808 -5.003 1.00 0.39 H new ATOM 0 HZ1 LYS A 5 -0.767 -11.549 -6.218 1.00 0.56 H new ATOM 0 HZ2 LYS A 5 -0.645 -10.062 -7.028 1.00 0.56 H new ATOM 0 HZ3 LYS A 5 0.676 -10.657 -6.144 1.00 0.56 H new ATOM 88 N ILE A 6 2.335 -6.002 -3.318 1.00 0.21 N ATOM 89 CA ILE A 6 1.779 -4.744 -2.882 1.00 0.20 C ATOM 90 C ILE A 6 0.524 -4.419 -3.684 1.00 0.23 C ATOM 91 O ILE A 6 0.569 -4.301 -4.905 1.00 0.40 O ATOM 92 CB ILE A 6 2.812 -3.609 -3.022 1.00 0.20 C ATOM 93 CG1 ILE A 6 3.910 -3.776 -1.969 1.00 0.22 C ATOM 94 CG2 ILE A 6 2.138 -2.251 -2.906 1.00 0.21 C ATOM 95 CD1 ILE A 6 4.994 -2.726 -2.042 1.00 0.27 C ATOM 0 H ILE A 6 2.506 -6.054 -4.322 1.00 0.21 H new ATOM 0 HA ILE A 6 1.513 -4.833 -1.829 1.00 0.20 H new ATOM 0 HB ILE A 6 3.270 -3.664 -4.010 1.00 0.20 H new ATOM 0 HG12 ILE A 6 3.457 -3.748 -0.978 1.00 0.22 H new ATOM 0 HG13 ILE A 6 4.363 -4.761 -2.084 1.00 0.22 H new ATOM 0 HG21 ILE A 6 2.885 -1.464 -3.008 1.00 0.21 H new ATOM 0 HG22 ILE A 6 1.392 -2.147 -3.694 1.00 0.21 H new ATOM 0 HG23 ILE A 6 1.653 -2.167 -1.933 1.00 0.21 H new ATOM 0 HD11 ILE A 6 5.734 -2.913 -1.264 1.00 0.27 H new ATOM 0 HD12 ILE A 6 5.476 -2.768 -3.019 1.00 0.27 H new ATOM 0 HD13 ILE A 6 4.555 -1.739 -1.896 1.00 0.27 H new ATOM 107 N LEU A 7 -0.595 -4.301 -2.992 1.00 0.11 N ATOM 108 CA LEU A 7 -1.866 -3.986 -3.630 1.00 0.11 C ATOM 109 C LEU A 7 -2.061 -2.483 -3.645 1.00 0.14 C ATOM 110 O LEU A 7 -1.729 -1.811 -2.685 1.00 0.29 O ATOM 111 CB LEU A 7 -3.007 -4.680 -2.883 1.00 0.11 C ATOM 112 CG LEU A 7 -3.496 -5.969 -3.533 1.00 0.14 C ATOM 113 CD1 LEU A 7 -4.501 -6.661 -2.641 1.00 0.15 C ATOM 114 CD2 LEU A 7 -4.119 -5.667 -4.885 1.00 0.17 C ATOM 0 H LEU A 7 -0.652 -4.419 -1.980 1.00 0.11 H new ATOM 0 HA LEU A 7 -1.864 -4.347 -4.658 1.00 0.11 H new ATOM 0 HB2 LEU A 7 -2.678 -4.902 -1.868 1.00 0.11 H new ATOM 0 HB3 LEU A 7 -3.845 -3.988 -2.802 1.00 0.11 H new ATOM 0 HG LEU A 7 -2.643 -6.632 -3.676 1.00 0.14 H new ATOM 0 HD11 LEU A 7 -4.840 -7.580 -3.120 1.00 0.15 H new ATOM 0 HD12 LEU A 7 -4.035 -6.900 -1.685 1.00 0.15 H new ATOM 0 HD13 LEU A 7 -5.353 -6.003 -2.474 1.00 0.15 H new ATOM 0 HD21 LEU A 7 -4.465 -6.594 -5.341 1.00 0.17 H new ATOM 0 HD22 LEU A 7 -4.963 -4.990 -4.754 1.00 0.17 H new ATOM 0 HD23 LEU A 7 -3.376 -5.200 -5.532 1.00 0.17 H new ATOM 126 N ILE A 8 -2.560 -1.953 -4.743 1.00 0.08 N ATOM 127 CA ILE A 8 -2.675 -0.510 -4.893 1.00 0.08 C ATOM 128 C ILE A 8 -4.072 -0.110 -5.355 1.00 0.08 C ATOM 129 O ILE A 8 -4.465 -0.364 -6.495 1.00 0.10 O ATOM 130 CB ILE A 8 -1.620 -0.006 -5.890 1.00 0.10 C ATOM 131 CG1 ILE A 8 -0.223 -0.371 -5.384 1.00 0.11 C ATOM 132 CG2 ILE A 8 -1.743 1.497 -6.078 1.00 0.12 C ATOM 133 CD1 ILE A 8 0.803 -0.493 -6.480 1.00 0.12 C ATOM 0 H ILE A 8 -2.892 -2.493 -5.542 1.00 0.08 H new ATOM 0 HA ILE A 8 -2.502 -0.050 -3.920 1.00 0.08 H new ATOM 0 HB ILE A 8 -1.784 -0.483 -6.856 1.00 0.10 H new ATOM 0 HG12 ILE A 8 0.106 0.387 -4.673 1.00 0.11 H new ATOM 0 HG13 ILE A 8 -0.277 -1.315 -4.842 1.00 0.11 H new ATOM 0 HG21 ILE A 8 -0.989 1.838 -6.787 1.00 0.12 H new ATOM 0 HG22 ILE A 8 -2.735 1.736 -6.461 1.00 0.12 H new ATOM 0 HG23 ILE A 8 -1.594 1.997 -5.121 1.00 0.12 H new ATOM 0 HD11 ILE A 8 1.769 -0.754 -6.047 1.00 0.12 H new ATOM 0 HD12 ILE A 8 0.497 -1.271 -7.180 1.00 0.12 H new ATOM 0 HD13 ILE A 8 0.886 0.457 -7.008 1.00 0.12 H new ATOM 145 N VAL A 9 -4.826 0.503 -4.458 1.00 0.09 N ATOM 146 CA VAL A 9 -6.181 0.924 -4.763 1.00 0.10 C ATOM 147 C VAL A 9 -6.207 2.323 -5.394 1.00 0.14 C ATOM 148 O VAL A 9 -5.873 3.312 -4.746 1.00 0.17 O ATOM 149 CB VAL A 9 -7.059 0.902 -3.498 1.00 0.11 C ATOM 150 CG1 VAL A 9 -8.436 1.483 -3.774 1.00 0.14 C ATOM 151 CG2 VAL A 9 -7.173 -0.521 -2.978 1.00 0.11 C ATOM 0 H VAL A 9 -4.520 0.720 -3.509 1.00 0.09 H new ATOM 0 HA VAL A 9 -6.585 0.216 -5.487 1.00 0.10 H new ATOM 0 HB VAL A 9 -6.586 1.523 -2.738 1.00 0.11 H new ATOM 0 HG11 VAL A 9 -9.033 1.454 -2.862 1.00 0.14 H new ATOM 0 HG12 VAL A 9 -8.335 2.515 -4.109 1.00 0.14 H new ATOM 0 HG13 VAL A 9 -8.929 0.897 -4.549 1.00 0.14 H new ATOM 0 HG21 VAL A 9 -7.795 -0.533 -2.083 1.00 0.11 H new ATOM 0 HG22 VAL A 9 -7.626 -1.153 -3.742 1.00 0.11 H new ATOM 0 HG23 VAL A 9 -6.180 -0.900 -2.735 1.00 0.11 H new ATOM 161 N ASP A 10 -6.598 2.377 -6.664 1.00 0.17 N ATOM 162 CA ASP A 10 -6.747 3.625 -7.404 1.00 0.21 C ATOM 163 C ASP A 10 -7.806 3.471 -8.502 1.00 0.24 C ATOM 164 O ASP A 10 -7.928 2.406 -9.110 1.00 0.38 O ATOM 165 CB ASP A 10 -5.416 4.024 -8.038 1.00 0.23 C ATOM 166 CG ASP A 10 -5.553 5.206 -8.976 1.00 0.76 C ATOM 167 OD1 ASP A 10 -6.267 6.171 -8.635 1.00 0.78 O ATOM 168 OD2 ASP A 10 -4.952 5.162 -10.069 1.00 1.27 O ATOM 0 H ASP A 10 -6.822 1.547 -7.213 1.00 0.17 H new ATOM 0 HA ASP A 10 -7.063 4.401 -6.707 1.00 0.21 H new ATOM 0 HB2 ASP A 10 -4.701 4.269 -7.252 1.00 0.23 H new ATOM 0 HB3 ASP A 10 -5.009 3.174 -8.586 1.00 0.23 H new ATOM 173 N ASP A 11 -8.559 4.531 -8.757 1.00 0.29 N ATOM 174 CA ASP A 11 -9.569 4.520 -9.814 1.00 0.30 C ATOM 175 C ASP A 11 -9.028 5.183 -11.064 1.00 0.28 C ATOM 176 O ASP A 11 -9.439 4.866 -12.180 1.00 0.32 O ATOM 177 CB ASP A 11 -10.839 5.247 -9.375 1.00 0.39 C ATOM 178 CG ASP A 11 -11.872 5.342 -10.483 1.00 0.79 C ATOM 179 OD1 ASP A 11 -12.653 4.384 -10.665 1.00 0.76 O ATOM 180 OD2 ASP A 11 -11.912 6.383 -11.175 1.00 1.40 O ATOM 0 H ASP A 11 -8.492 5.412 -8.248 1.00 0.29 H new ATOM 0 HA ASP A 11 -9.814 3.479 -10.023 1.00 0.30 H new ATOM 0 HB2 ASP A 11 -11.274 4.727 -8.522 1.00 0.39 H new ATOM 0 HB3 ASP A 11 -10.580 6.251 -9.038 1.00 0.39 H new ATOM 185 N GLN A 12 -8.076 6.089 -10.869 1.00 0.30 N ATOM 186 CA GLN A 12 -7.546 6.890 -11.962 1.00 0.35 C ATOM 187 C GLN A 12 -6.754 6.027 -12.930 1.00 0.31 C ATOM 188 O GLN A 12 -6.502 6.428 -14.069 1.00 0.38 O ATOM 189 CB GLN A 12 -6.667 8.010 -11.418 1.00 0.45 C ATOM 190 CG GLN A 12 -7.406 8.916 -10.453 1.00 0.59 C ATOM 191 CD GLN A 12 -6.536 9.998 -9.851 1.00 1.07 C ATOM 192 OE1 GLN A 12 -6.769 10.428 -8.722 1.00 1.90 O ATOM 193 NE2 GLN A 12 -5.537 10.451 -10.589 1.00 1.77 N ATOM 0 H GLN A 12 -7.656 6.286 -9.961 1.00 0.30 H new ATOM 0 HA GLN A 12 -8.386 7.329 -12.501 1.00 0.35 H new ATOM 0 HB2 GLN A 12 -5.803 7.576 -10.914 1.00 0.45 H new ATOM 0 HB3 GLN A 12 -6.286 8.604 -12.249 1.00 0.45 H new ATOM 0 HG2 GLN A 12 -8.243 9.382 -10.973 1.00 0.59 H new ATOM 0 HG3 GLN A 12 -7.827 8.311 -9.650 1.00 0.59 H new ATOM 0 HE21 GLN A 12 -5.377 10.068 -11.521 1.00 1.77 H new ATOM 0 HE22 GLN A 12 -4.926 11.183 -10.227 1.00 1.77 H new ATOM 202 N TYR A 13 -6.336 4.860 -12.431 1.00 0.24 N ATOM 203 CA TYR A 13 -5.649 3.834 -13.212 1.00 0.23 C ATOM 204 C TYR A 13 -4.164 4.159 -13.342 1.00 0.22 C ATOM 205 O TYR A 13 -3.330 3.260 -13.419 1.00 0.29 O ATOM 206 CB TYR A 13 -6.303 3.651 -14.586 1.00 0.30 C ATOM 207 CG TYR A 13 -5.819 2.445 -15.365 1.00 0.42 C ATOM 208 CD1 TYR A 13 -6.367 1.189 -15.138 1.00 0.56 C ATOM 209 CD2 TYR A 13 -4.833 2.564 -16.338 1.00 0.53 C ATOM 210 CE1 TYR A 13 -5.947 0.086 -15.853 1.00 0.72 C ATOM 211 CE2 TYR A 13 -4.410 1.464 -17.063 1.00 0.67 C ATOM 212 CZ TYR A 13 -4.969 0.228 -16.815 1.00 0.76 C ATOM 213 OH TYR A 13 -4.560 -0.871 -17.539 1.00 0.92 O ATOM 0 H TYR A 13 -6.470 4.600 -11.454 1.00 0.24 H new ATOM 0 HA TYR A 13 -5.740 2.887 -12.680 1.00 0.23 H new ATOM 0 HB2 TYR A 13 -7.382 3.570 -14.451 1.00 0.30 H new ATOM 0 HB3 TYR A 13 -6.122 4.546 -15.181 1.00 0.30 H new ATOM 0 HD1 TYR A 13 -7.136 1.074 -14.388 1.00 0.56 H new ATOM 0 HD2 TYR A 13 -4.390 3.530 -16.531 1.00 0.53 H new ATOM 0 HE1 TYR A 13 -6.382 -0.884 -15.660 1.00 0.72 H new ATOM 0 HE2 TYR A 13 -3.646 1.573 -17.819 1.00 0.67 H new ATOM 0 HH TYR A 13 -3.866 -0.603 -18.177 1.00 0.92 H new ATOM 223 N GLY A 14 -3.836 5.440 -13.320 1.00 0.22 N ATOM 224 CA GLY A 14 -2.453 5.848 -13.433 1.00 0.25 C ATOM 225 C GLY A 14 -1.719 5.788 -12.117 1.00 0.23 C ATOM 226 O GLY A 14 -0.576 5.348 -12.072 1.00 0.22 O ATOM 0 H GLY A 14 -4.503 6.206 -13.226 1.00 0.22 H new ATOM 0 HA2 GLY A 14 -1.947 5.208 -14.156 1.00 0.25 H new ATOM 0 HA3 GLY A 14 -2.409 6.865 -13.823 1.00 0.25 H new ATOM 230 N ILE A 15 -2.382 6.194 -11.040 1.00 0.24 N ATOM 231 CA ILE A 15 -1.757 6.208 -9.719 1.00 0.23 C ATOM 232 C ILE A 15 -1.351 4.801 -9.336 1.00 0.20 C ATOM 233 O ILE A 15 -0.249 4.560 -8.826 1.00 0.19 O ATOM 234 CB ILE A 15 -2.720 6.736 -8.638 1.00 0.24 C ATOM 235 CG1 ILE A 15 -3.447 7.988 -9.138 1.00 0.28 C ATOM 236 CG2 ILE A 15 -1.973 7.029 -7.340 1.00 0.25 C ATOM 237 CD1 ILE A 15 -2.529 9.162 -9.418 1.00 0.29 C ATOM 0 H ILE A 15 -3.349 6.517 -11.053 1.00 0.24 H new ATOM 0 HA ILE A 15 -0.891 6.867 -9.775 1.00 0.23 H new ATOM 0 HB ILE A 15 -3.461 5.964 -8.433 1.00 0.24 H new ATOM 0 HG12 ILE A 15 -3.992 7.740 -10.049 1.00 0.28 H new ATOM 0 HG13 ILE A 15 -4.187 8.287 -8.396 1.00 0.28 H new ATOM 0 HG21 ILE A 15 -2.674 7.400 -6.593 1.00 0.25 H new ATOM 0 HG22 ILE A 15 -1.505 6.115 -6.975 1.00 0.25 H new ATOM 0 HG23 ILE A 15 -1.206 7.781 -7.524 1.00 0.25 H new ATOM 0 HD11 ILE A 15 -3.118 10.009 -9.768 1.00 0.29 H new ATOM 0 HD12 ILE A 15 -2.003 9.439 -8.504 1.00 0.29 H new ATOM 0 HD13 ILE A 15 -1.805 8.883 -10.183 1.00 0.29 H new ATOM 249 N ARG A 16 -2.254 3.870 -9.602 1.00 0.19 N ATOM 250 CA ARG A 16 -1.991 2.479 -9.331 1.00 0.17 C ATOM 251 C ARG A 16 -0.773 2.021 -10.103 1.00 0.16 C ATOM 252 O ARG A 16 0.106 1.377 -9.546 1.00 0.16 O ATOM 253 CB ARG A 16 -3.203 1.602 -9.651 1.00 0.19 C ATOM 254 CG ARG A 16 -4.191 2.236 -10.593 1.00 0.24 C ATOM 255 CD ARG A 16 -5.508 1.492 -10.578 1.00 0.38 C ATOM 256 NE ARG A 16 -5.573 0.376 -11.516 1.00 0.76 N ATOM 257 CZ ARG A 16 -6.687 -0.321 -11.747 1.00 0.67 C ATOM 258 NH1 ARG A 16 -7.820 0.008 -11.136 1.00 0.95 N ATOM 259 NH2 ARG A 16 -6.674 -1.345 -12.588 1.00 1.51 N ATOM 0 H ARG A 16 -3.172 4.059 -10.005 1.00 0.19 H new ATOM 0 HA ARG A 16 -1.792 2.374 -8.265 1.00 0.17 H new ATOM 0 HB2 ARG A 16 -2.855 0.664 -10.084 1.00 0.19 H new ATOM 0 HB3 ARG A 16 -3.713 1.353 -8.721 1.00 0.19 H new ATOM 0 HG2 ARG A 16 -4.353 3.276 -10.310 1.00 0.24 H new ATOM 0 HG3 ARG A 16 -3.783 2.241 -11.604 1.00 0.24 H new ATOM 0 HD2 ARG A 16 -5.690 1.117 -9.571 1.00 0.38 H new ATOM 0 HD3 ARG A 16 -6.311 2.192 -10.807 1.00 0.38 H new ATOM 0 HE ARG A 16 -4.725 0.116 -12.020 1.00 0.76 H new ATOM 0 HH11 ARG A 16 -7.840 0.796 -10.488 1.00 0.95 H new ATOM 0 HH12 ARG A 16 -8.670 -0.527 -11.315 1.00 0.95 H new ATOM 0 HH21 ARG A 16 -5.809 -1.604 -13.063 1.00 1.51 H new ATOM 0 HH22 ARG A 16 -7.529 -1.874 -12.761 1.00 1.51 H new ATOM 273 N ILE A 17 -0.710 2.385 -11.377 1.00 0.17 N ATOM 274 CA ILE A 17 0.440 2.054 -12.205 1.00 0.18 C ATOM 275 C ILE A 17 1.705 2.705 -11.655 1.00 0.19 C ATOM 276 O ILE A 17 2.755 2.078 -11.638 1.00 0.19 O ATOM 277 CB ILE A 17 0.228 2.476 -13.680 1.00 0.21 C ATOM 278 CG1 ILE A 17 -0.909 1.665 -14.313 1.00 0.19 C ATOM 279 CG2 ILE A 17 1.511 2.306 -14.483 1.00 0.28 C ATOM 280 CD1 ILE A 17 -0.661 0.171 -14.330 1.00 0.23 C ATOM 0 H ILE A 17 -1.441 2.909 -11.858 1.00 0.17 H new ATOM 0 HA ILE A 17 0.554 0.970 -12.178 1.00 0.18 H new ATOM 0 HB ILE A 17 -0.047 3.531 -13.694 1.00 0.21 H new ATOM 0 HG12 ILE A 17 -1.832 1.864 -13.768 1.00 0.19 H new ATOM 0 HG13 ILE A 17 -1.062 2.010 -15.336 1.00 0.19 H new ATOM 0 HG21 ILE A 17 1.337 2.609 -15.516 1.00 0.28 H new ATOM 0 HG22 ILE A 17 2.296 2.926 -14.050 1.00 0.28 H new ATOM 0 HG23 ILE A 17 1.820 1.261 -14.459 1.00 0.28 H new ATOM 0 HD11 ILE A 17 -1.509 -0.333 -14.793 1.00 0.23 H new ATOM 0 HD12 ILE A 17 0.243 -0.041 -14.901 1.00 0.23 H new ATOM 0 HD13 ILE A 17 -0.538 -0.189 -13.309 1.00 0.23 H new ATOM 292 N LEU A 18 1.594 3.943 -11.170 1.00 0.20 N ATOM 293 CA LEU A 18 2.755 4.663 -10.641 1.00 0.21 C ATOM 294 C LEU A 18 3.426 3.869 -9.533 1.00 0.18 C ATOM 295 O LEU A 18 4.645 3.703 -9.524 1.00 0.18 O ATOM 296 CB LEU A 18 2.358 6.039 -10.095 1.00 0.23 C ATOM 297 CG LEU A 18 1.643 6.953 -11.084 1.00 0.26 C ATOM 298 CD1 LEU A 18 1.272 8.274 -10.425 1.00 0.31 C ATOM 299 CD2 LEU A 18 2.509 7.191 -12.311 1.00 0.29 C ATOM 0 H LEU A 18 0.719 4.465 -11.132 1.00 0.20 H new ATOM 0 HA LEU A 18 3.452 4.796 -11.469 1.00 0.21 H new ATOM 0 HB2 LEU A 18 1.713 5.895 -9.228 1.00 0.23 H new ATOM 0 HB3 LEU A 18 3.257 6.545 -9.743 1.00 0.23 H new ATOM 0 HG LEU A 18 0.724 6.461 -11.402 1.00 0.26 H new ATOM 0 HD11 LEU A 18 0.763 8.911 -11.148 1.00 0.31 H new ATOM 0 HD12 LEU A 18 0.611 8.086 -9.579 1.00 0.31 H new ATOM 0 HD13 LEU A 18 2.176 8.773 -10.075 1.00 0.31 H new ATOM 0 HD21 LEU A 18 1.983 7.845 -13.006 1.00 0.29 H new ATOM 0 HD22 LEU A 18 3.446 7.660 -12.010 1.00 0.29 H new ATOM 0 HD23 LEU A 18 2.720 6.239 -12.798 1.00 0.29 H new ATOM 311 N LEU A 19 2.627 3.358 -8.610 1.00 0.16 N ATOM 312 CA LEU A 19 3.171 2.549 -7.529 1.00 0.13 C ATOM 313 C LEU A 19 3.472 1.152 -8.030 1.00 0.12 C ATOM 314 O LEU A 19 4.433 0.531 -7.601 1.00 0.11 O ATOM 315 CB LEU A 19 2.208 2.471 -6.345 1.00 0.14 C ATOM 316 CG LEU A 19 1.605 3.796 -5.880 1.00 0.14 C ATOM 317 CD1 LEU A 19 0.792 3.599 -4.612 1.00 0.14 C ATOM 318 CD2 LEU A 19 2.688 4.835 -5.662 1.00 0.17 C ATOM 0 H LEU A 19 1.615 3.485 -8.586 1.00 0.16 H new ATOM 0 HA LEU A 19 4.090 3.026 -7.188 1.00 0.13 H new ATOM 0 HB2 LEU A 19 1.393 1.797 -6.610 1.00 0.14 H new ATOM 0 HB3 LEU A 19 2.734 2.020 -5.504 1.00 0.14 H new ATOM 0 HG LEU A 19 0.939 4.158 -6.663 1.00 0.14 H new ATOM 0 HD11 LEU A 19 0.371 4.554 -4.297 1.00 0.14 H new ATOM 0 HD12 LEU A 19 -0.015 2.892 -4.804 1.00 0.14 H new ATOM 0 HD13 LEU A 19 1.436 3.209 -3.824 1.00 0.14 H new ATOM 0 HD21 LEU A 19 2.234 5.769 -5.331 1.00 0.17 H new ATOM 0 HD22 LEU A 19 3.384 4.481 -4.902 1.00 0.17 H new ATOM 0 HD23 LEU A 19 3.225 5.003 -6.596 1.00 0.17 H new ATOM 330 N ASN A 20 2.657 0.666 -8.948 1.00 0.12 N ATOM 331 CA ASN A 20 2.861 -0.655 -9.516 1.00 0.12 C ATOM 332 C ASN A 20 4.244 -0.738 -10.144 1.00 0.13 C ATOM 333 O ASN A 20 5.031 -1.625 -9.815 1.00 0.14 O ATOM 334 CB ASN A 20 1.779 -0.968 -10.564 1.00 0.15 C ATOM 335 CG ASN A 20 0.657 -1.848 -10.032 1.00 0.17 C ATOM 336 OD1 ASN A 20 0.688 -3.069 -10.172 1.00 0.20 O ATOM 337 ND2 ASN A 20 -0.342 -1.236 -9.416 1.00 0.19 N ATOM 0 H ASN A 20 1.848 1.166 -9.317 1.00 0.12 H new ATOM 0 HA ASN A 20 2.787 -1.394 -8.718 1.00 0.12 H new ATOM 0 HB2 ASN A 20 1.355 -0.032 -10.928 1.00 0.15 H new ATOM 0 HB3 ASN A 20 2.243 -1.461 -11.418 1.00 0.15 H new ATOM 0 HD21 ASN A 20 -1.119 -1.780 -9.040 1.00 0.19 H new ATOM 0 HD22 ASN A 20 -0.335 -0.221 -9.318 1.00 0.19 H new ATOM 344 N GLU A 21 4.557 0.229 -10.997 1.00 0.15 N ATOM 345 CA GLU A 21 5.817 0.227 -11.721 1.00 0.17 C ATOM 346 C GLU A 21 6.995 0.581 -10.820 1.00 0.17 C ATOM 347 O GLU A 21 8.082 0.070 -11.024 1.00 0.23 O ATOM 348 CB GLU A 21 5.767 1.183 -12.916 1.00 0.19 C ATOM 349 CG GLU A 21 5.491 2.629 -12.536 1.00 0.21 C ATOM 350 CD GLU A 21 5.663 3.582 -13.696 1.00 0.27 C ATOM 351 OE1 GLU A 21 4.695 3.790 -14.451 1.00 0.33 O ATOM 352 OE2 GLU A 21 6.773 4.130 -13.857 1.00 0.40 O ATOM 0 H GLU A 21 3.953 1.025 -11.203 1.00 0.15 H new ATOM 0 HA GLU A 21 5.968 -0.789 -12.086 1.00 0.17 H new ATOM 0 HB2 GLU A 21 6.716 1.132 -13.449 1.00 0.19 H new ATOM 0 HB3 GLU A 21 4.995 0.845 -13.607 1.00 0.19 H new ATOM 0 HG2 GLU A 21 4.474 2.711 -12.152 1.00 0.21 H new ATOM 0 HG3 GLU A 21 6.162 2.922 -11.728 1.00 0.21 H new ATOM 359 N VAL A 22 6.783 1.439 -9.828 1.00 0.15 N ATOM 360 CA VAL A 22 7.874 1.875 -8.952 1.00 0.17 C ATOM 361 C VAL A 22 8.137 0.888 -7.830 1.00 0.16 C ATOM 362 O VAL A 22 9.270 0.698 -7.409 1.00 0.20 O ATOM 363 CB VAL A 22 7.611 3.275 -8.372 1.00 0.18 C ATOM 364 CG1 VAL A 22 8.471 3.531 -7.141 1.00 0.27 C ATOM 365 CG2 VAL A 22 7.900 4.319 -9.428 1.00 0.21 C ATOM 0 H VAL A 22 5.874 1.846 -9.608 1.00 0.15 H new ATOM 0 HA VAL A 22 8.767 1.920 -9.576 1.00 0.17 H new ATOM 0 HB VAL A 22 6.565 3.334 -8.071 1.00 0.18 H new ATOM 0 HG11 VAL A 22 8.263 4.528 -6.753 1.00 0.27 H new ATOM 0 HG12 VAL A 22 8.242 2.789 -6.376 1.00 0.27 H new ATOM 0 HG13 VAL A 22 9.524 3.459 -7.412 1.00 0.27 H new ATOM 0 HG21 VAL A 22 7.714 5.312 -9.019 1.00 0.21 H new ATOM 0 HG22 VAL A 22 8.942 4.244 -9.738 1.00 0.21 H new ATOM 0 HG23 VAL A 22 7.252 4.155 -10.289 1.00 0.21 H new ATOM 375 N PHE A 23 7.118 0.252 -7.330 1.00 0.12 N ATOM 376 CA PHE A 23 7.359 -0.813 -6.394 1.00 0.10 C ATOM 377 C PHE A 23 8.068 -1.929 -7.131 1.00 0.11 C ATOM 378 O PHE A 23 9.111 -2.410 -6.706 1.00 0.15 O ATOM 379 CB PHE A 23 6.059 -1.304 -5.765 1.00 0.10 C ATOM 380 CG PHE A 23 5.470 -0.343 -4.778 1.00 0.13 C ATOM 381 CD1 PHE A 23 6.283 0.374 -3.923 1.00 0.32 C ATOM 382 CD2 PHE A 23 4.102 -0.169 -4.699 1.00 0.18 C ATOM 383 CE1 PHE A 23 5.741 1.248 -3.008 1.00 0.38 C ATOM 384 CE2 PHE A 23 3.553 0.706 -3.785 1.00 0.18 C ATOM 385 CZ PHE A 23 4.375 1.414 -2.936 1.00 0.26 C ATOM 0 H PHE A 23 6.139 0.442 -7.544 1.00 0.12 H new ATOM 0 HA PHE A 23 7.982 -0.453 -5.575 1.00 0.10 H new ATOM 0 HB2 PHE A 23 5.332 -1.492 -6.555 1.00 0.10 H new ATOM 0 HB3 PHE A 23 6.243 -2.256 -5.267 1.00 0.10 H new ATOM 0 HD1 PHE A 23 7.354 0.248 -3.973 1.00 0.32 H new ATOM 0 HD2 PHE A 23 3.454 -0.725 -5.361 1.00 0.18 H new ATOM 0 HE1 PHE A 23 6.387 1.804 -2.346 1.00 0.38 H new ATOM 0 HE2 PHE A 23 2.482 0.836 -3.735 1.00 0.18 H new ATOM 0 HZ PHE A 23 3.950 2.097 -2.216 1.00 0.26 H new ATOM 395 N ASN A 24 7.540 -2.281 -8.290 1.00 0.12 N ATOM 396 CA ASN A 24 8.140 -3.327 -9.097 1.00 0.14 C ATOM 397 C ASN A 24 9.521 -2.907 -9.531 1.00 0.18 C ATOM 398 O ASN A 24 10.419 -3.736 -9.623 1.00 0.20 O ATOM 399 CB ASN A 24 7.279 -3.653 -10.319 1.00 0.16 C ATOM 400 CG ASN A 24 6.051 -4.483 -9.983 1.00 0.16 C ATOM 401 OD1 ASN A 24 5.490 -5.158 -10.843 1.00 0.21 O ATOM 402 ND2 ASN A 24 5.639 -4.467 -8.724 1.00 0.15 N ATOM 0 H ASN A 24 6.702 -1.860 -8.691 1.00 0.12 H new ATOM 0 HA ASN A 24 8.209 -4.229 -8.489 1.00 0.14 H new ATOM 0 HB2 ASN A 24 6.963 -2.723 -10.791 1.00 0.16 H new ATOM 0 HB3 ASN A 24 7.884 -4.191 -11.049 1.00 0.16 H new ATOM 0 HD21 ASN A 24 4.833 -5.026 -8.444 1.00 0.15 H new ATOM 0 HD22 ASN A 24 6.127 -3.895 -8.035 1.00 0.15 H new ATOM 409 N LYS A 25 9.684 -1.592 -9.737 1.00 0.19 N ATOM 410 CA LYS A 25 10.949 -1.016 -10.217 1.00 0.25 C ATOM 411 C LYS A 25 12.055 -1.366 -9.267 1.00 0.24 C ATOM 412 O LYS A 25 13.202 -1.593 -9.651 1.00 0.30 O ATOM 413 CB LYS A 25 10.872 0.522 -10.345 1.00 0.28 C ATOM 414 CG LYS A 25 11.339 1.311 -9.110 1.00 0.25 C ATOM 415 CD LYS A 25 11.743 2.734 -9.460 1.00 0.38 C ATOM 416 CE LYS A 25 12.998 2.773 -10.319 1.00 1.18 C ATOM 417 NZ LYS A 25 14.094 1.940 -9.749 1.00 1.65 N ATOM 0 H LYS A 25 8.949 -0.903 -9.577 1.00 0.19 H new ATOM 0 HA LYS A 25 11.143 -1.433 -11.205 1.00 0.25 H new ATOM 0 HB2 LYS A 25 11.474 0.829 -11.200 1.00 0.28 H new ATOM 0 HB3 LYS A 25 9.841 0.800 -10.564 1.00 0.28 H new ATOM 0 HG2 LYS A 25 10.538 1.333 -8.371 1.00 0.25 H new ATOM 0 HG3 LYS A 25 12.183 0.798 -8.650 1.00 0.25 H new ATOM 0 HD2 LYS A 25 10.926 3.224 -9.989 1.00 0.38 H new ATOM 0 HD3 LYS A 25 11.913 3.299 -8.543 1.00 0.38 H new ATOM 0 HE2 LYS A 25 12.761 2.421 -11.323 1.00 1.18 H new ATOM 0 HE3 LYS A 25 13.339 3.804 -10.415 1.00 1.18 H new ATOM 0 HZ1 LYS A 25 15.012 2.299 -10.081 1.00 1.65 H new ATOM 0 HZ2 LYS A 25 14.060 1.985 -8.711 1.00 1.65 H new ATOM 0 HZ3 LYS A 25 13.976 0.954 -10.057 1.00 1.65 H new ATOM 431 N GLU A 26 11.684 -1.400 -8.017 1.00 0.21 N ATOM 432 CA GLU A 26 12.623 -1.682 -6.971 1.00 0.26 C ATOM 433 C GLU A 26 12.882 -3.177 -6.899 1.00 0.36 C ATOM 434 O GLU A 26 13.928 -3.622 -6.437 1.00 0.78 O ATOM 435 CB GLU A 26 12.094 -1.132 -5.654 1.00 0.23 C ATOM 436 CG GLU A 26 11.989 0.382 -5.668 1.00 0.25 C ATOM 437 CD GLU A 26 13.331 1.033 -5.944 1.00 0.44 C ATOM 438 OE1 GLU A 26 14.178 1.065 -5.029 1.00 0.55 O ATOM 439 OE2 GLU A 26 13.544 1.511 -7.078 1.00 0.68 O ATOM 0 H GLU A 26 10.729 -1.234 -7.698 1.00 0.21 H new ATOM 0 HA GLU A 26 13.575 -1.194 -7.180 1.00 0.26 H new ATOM 0 HB2 GLU A 26 11.113 -1.561 -5.451 1.00 0.23 H new ATOM 0 HB3 GLU A 26 12.752 -1.442 -4.842 1.00 0.23 H new ATOM 0 HG2 GLU A 26 11.271 0.690 -6.428 1.00 0.25 H new ATOM 0 HG3 GLU A 26 11.606 0.729 -4.708 1.00 0.25 H new ATOM 446 N GLY A 27 11.932 -3.939 -7.410 1.00 0.19 N ATOM 447 CA GLY A 27 12.024 -5.378 -7.388 1.00 0.21 C ATOM 448 C GLY A 27 10.829 -5.998 -6.700 1.00 0.25 C ATOM 449 O GLY A 27 10.885 -7.141 -6.246 1.00 0.45 O ATOM 0 H GLY A 27 11.084 -3.577 -7.847 1.00 0.19 H new ATOM 0 HA2 GLY A 27 12.094 -5.755 -8.408 1.00 0.21 H new ATOM 0 HA3 GLY A 27 12.937 -5.678 -6.874 1.00 0.21 H new ATOM 453 N TYR A 28 9.738 -5.247 -6.621 1.00 0.15 N ATOM 454 CA TYR A 28 8.565 -5.714 -5.878 1.00 0.15 C ATOM 455 C TYR A 28 7.585 -6.420 -6.800 1.00 0.14 C ATOM 456 O TYR A 28 7.845 -6.599 -7.990 1.00 0.19 O ATOM 457 CB TYR A 28 7.816 -4.557 -5.203 1.00 0.20 C ATOM 458 CG TYR A 28 8.456 -3.982 -3.957 1.00 0.34 C ATOM 459 CD1 TYR A 28 9.606 -3.208 -4.023 1.00 0.84 C ATOM 460 CD2 TYR A 28 7.874 -4.178 -2.714 1.00 0.89 C ATOM 461 CE1 TYR A 28 10.157 -2.654 -2.886 1.00 0.93 C ATOM 462 CE2 TYR A 28 8.421 -3.632 -1.574 1.00 1.04 C ATOM 463 CZ TYR A 28 9.558 -2.869 -1.666 1.00 0.75 C ATOM 464 OH TYR A 28 10.097 -2.321 -0.533 1.00 0.98 O ATOM 0 H TYR A 28 9.636 -4.328 -7.052 1.00 0.15 H new ATOM 0 HA TYR A 28 8.940 -6.400 -5.118 1.00 0.15 H new ATOM 0 HB2 TYR A 28 7.700 -3.754 -5.930 1.00 0.20 H new ATOM 0 HB3 TYR A 28 6.814 -4.901 -4.946 1.00 0.20 H new ATOM 0 HD1 TYR A 28 10.077 -3.037 -4.980 1.00 0.84 H new ATOM 0 HD2 TYR A 28 6.974 -4.770 -2.638 1.00 0.89 H new ATOM 0 HE1 TYR A 28 11.053 -2.055 -2.953 1.00 0.93 H new ATOM 0 HE2 TYR A 28 7.958 -3.803 -0.613 1.00 1.04 H new ATOM 0 HH TYR A 28 10.851 -2.870 -0.231 1.00 0.98 H new ATOM 474 N GLN A 29 6.453 -6.801 -6.229 1.00 0.14 N ATOM 475 CA GLN A 29 5.314 -7.266 -6.989 1.00 0.16 C ATOM 476 C GLN A 29 4.116 -6.430 -6.577 1.00 0.14 C ATOM 477 O GLN A 29 3.931 -6.168 -5.395 1.00 0.17 O ATOM 478 CB GLN A 29 5.043 -8.746 -6.715 1.00 0.23 C ATOM 479 CG GLN A 29 3.681 -9.205 -7.206 1.00 1.14 C ATOM 480 CD GLN A 29 3.364 -10.646 -6.859 1.00 1.32 C ATOM 481 OE1 GLN A 29 2.568 -11.294 -7.536 1.00 1.95 O ATOM 482 NE2 GLN A 29 3.980 -11.163 -5.806 1.00 0.97 N ATOM 0 H GLN A 29 6.303 -6.795 -5.220 1.00 0.14 H new ATOM 0 HA GLN A 29 5.510 -7.162 -8.056 1.00 0.16 H new ATOM 0 HB2 GLN A 29 5.816 -9.345 -7.195 1.00 0.23 H new ATOM 0 HB3 GLN A 29 5.117 -8.930 -5.643 1.00 0.23 H new ATOM 0 HG2 GLN A 29 2.914 -8.560 -6.778 1.00 1.14 H new ATOM 0 HG3 GLN A 29 3.634 -9.082 -8.288 1.00 1.14 H new ATOM 0 HE21 GLN A 29 4.634 -10.595 -5.268 1.00 0.97 H new ATOM 0 HE22 GLN A 29 3.800 -12.129 -5.533 1.00 0.97 H new ATOM 491 N THR A 30 3.318 -6.000 -7.530 1.00 0.13 N ATOM 492 CA THR A 30 2.212 -5.108 -7.229 1.00 0.12 C ATOM 493 C THR A 30 0.935 -5.546 -7.907 1.00 0.14 C ATOM 494 O THR A 30 0.946 -6.403 -8.789 1.00 0.21 O ATOM 495 CB THR A 30 2.521 -3.661 -7.646 1.00 0.11 C ATOM 496 OG1 THR A 30 3.171 -3.655 -8.920 1.00 0.13 O ATOM 497 CG2 THR A 30 3.381 -2.969 -6.606 1.00 0.10 C ATOM 0 H THR A 30 3.410 -6.250 -8.515 1.00 0.13 H new ATOM 0 HA THR A 30 2.075 -5.151 -6.148 1.00 0.12 H new ATOM 0 HB THR A 30 1.583 -3.111 -7.722 1.00 0.11 H new ATOM 0 HG1 THR A 30 2.498 -3.608 -9.631 1.00 0.13 H new ATOM 0 HG21 THR A 30 3.585 -1.947 -6.925 1.00 0.10 H new ATOM 0 HG22 THR A 30 2.855 -2.953 -5.651 1.00 0.10 H new ATOM 0 HG23 THR A 30 4.321 -3.509 -6.494 1.00 0.10 H new ATOM 505 N PHE A 31 -0.156 -4.957 -7.463 1.00 0.11 N ATOM 506 CA PHE A 31 -1.448 -5.152 -8.070 1.00 0.13 C ATOM 507 C PHE A 31 -2.262 -3.883 -7.872 1.00 0.11 C ATOM 508 O PHE A 31 -1.801 -2.952 -7.215 1.00 0.10 O ATOM 509 CB PHE A 31 -2.166 -6.361 -7.462 1.00 0.15 C ATOM 510 CG PHE A 31 -2.282 -7.531 -8.395 1.00 0.19 C ATOM 511 CD1 PHE A 31 -1.266 -8.467 -8.482 1.00 0.30 C ATOM 512 CD2 PHE A 31 -3.405 -7.688 -9.192 1.00 0.28 C ATOM 513 CE1 PHE A 31 -1.366 -9.539 -9.348 1.00 0.43 C ATOM 514 CE2 PHE A 31 -3.512 -8.759 -10.056 1.00 0.42 C ATOM 515 CZ PHE A 31 -2.491 -9.684 -10.136 1.00 0.48 C ATOM 0 H PHE A 31 -0.167 -4.324 -6.663 1.00 0.11 H new ATOM 0 HA PHE A 31 -1.328 -5.355 -9.134 1.00 0.13 H new ATOM 0 HB2 PHE A 31 -1.632 -6.675 -6.565 1.00 0.15 H new ATOM 0 HB3 PHE A 31 -3.165 -6.058 -7.148 1.00 0.15 H new ATOM 0 HD1 PHE A 31 -0.385 -8.358 -7.866 1.00 0.30 H new ATOM 0 HD2 PHE A 31 -4.205 -6.965 -9.136 1.00 0.28 H new ATOM 0 HE1 PHE A 31 -0.566 -10.262 -9.409 1.00 0.43 H new ATOM 0 HE2 PHE A 31 -4.394 -8.873 -10.669 1.00 0.42 H new ATOM 0 HZ PHE A 31 -2.572 -10.521 -10.814 1.00 0.48 H new ATOM 525 N GLN A 32 -3.463 -3.839 -8.410 1.00 0.13 N ATOM 526 CA GLN A 32 -4.244 -2.616 -8.393 1.00 0.13 C ATOM 527 C GLN A 32 -5.733 -2.901 -8.246 1.00 0.14 C ATOM 528 O GLN A 32 -6.208 -3.991 -8.554 1.00 0.18 O ATOM 529 CB GLN A 32 -3.951 -1.819 -9.656 1.00 0.15 C ATOM 530 CG GLN A 32 -3.977 -2.663 -10.909 1.00 0.17 C ATOM 531 CD GLN A 32 -3.232 -2.014 -12.061 1.00 0.56 C ATOM 532 OE1 GLN A 32 -3.795 -1.221 -12.815 1.00 1.29 O ATOM 533 NE2 GLN A 32 -1.962 -2.353 -12.210 1.00 0.44 N ATOM 0 H GLN A 32 -3.919 -4.631 -8.863 1.00 0.13 H new ATOM 0 HA GLN A 32 -3.956 -2.025 -7.523 1.00 0.13 H new ATOM 0 HB2 GLN A 32 -4.683 -1.017 -9.750 1.00 0.15 H new ATOM 0 HB3 GLN A 32 -2.972 -1.348 -9.562 1.00 0.15 H new ATOM 0 HG2 GLN A 32 -3.535 -3.637 -10.697 1.00 0.17 H new ATOM 0 HG3 GLN A 32 -5.012 -2.840 -11.203 1.00 0.17 H new ATOM 0 HE21 GLN A 32 -1.531 -3.014 -11.564 1.00 0.44 H new ATOM 0 HE22 GLN A 32 -1.413 -1.953 -12.971 1.00 0.44 H new ATOM 542 N ALA A 33 -6.448 -1.900 -7.763 1.00 0.13 N ATOM 543 CA ALA A 33 -7.869 -2.021 -7.455 1.00 0.15 C ATOM 544 C ALA A 33 -8.568 -0.702 -7.695 1.00 0.20 C ATOM 545 O ALA A 33 -8.075 0.329 -7.276 1.00 0.32 O ATOM 546 CB ALA A 33 -8.050 -2.431 -6.008 1.00 0.16 C ATOM 0 H ALA A 33 -6.061 -0.976 -7.571 1.00 0.13 H new ATOM 0 HA ALA A 33 -8.304 -2.781 -8.104 1.00 0.15 H new ATOM 0 HB1 ALA A 33 -9.113 -2.519 -5.785 1.00 0.16 H new ATOM 0 HB2 ALA A 33 -7.563 -3.391 -5.838 1.00 0.16 H new ATOM 0 HB3 ALA A 33 -7.604 -1.678 -5.358 1.00 0.16 H new ATOM 552 N ALA A 34 -9.724 -0.730 -8.333 1.00 0.29 N ATOM 553 CA ALA A 34 -10.416 0.506 -8.684 1.00 0.32 C ATOM 554 C ALA A 34 -11.477 0.895 -7.652 1.00 0.33 C ATOM 555 O ALA A 34 -12.444 1.571 -7.989 1.00 0.47 O ATOM 556 CB ALA A 34 -11.043 0.378 -10.064 1.00 0.34 C ATOM 0 H ALA A 34 -10.203 -1.584 -8.618 1.00 0.29 H new ATOM 0 HA ALA A 34 -9.673 1.303 -8.693 1.00 0.32 H new ATOM 0 HB1 ALA A 34 -11.557 1.305 -10.317 1.00 0.34 H new ATOM 0 HB2 ALA A 34 -10.264 0.182 -10.801 1.00 0.34 H new ATOM 0 HB3 ALA A 34 -11.758 -0.445 -10.064 1.00 0.34 H new ATOM 562 N ASN A 35 -11.298 0.492 -6.394 1.00 0.40 N ATOM 563 CA ASN A 35 -12.267 0.857 -5.352 1.00 0.46 C ATOM 564 C ASN A 35 -11.722 0.565 -3.964 1.00 0.69 C ATOM 565 O ASN A 35 -11.846 1.363 -3.041 1.00 1.79 O ATOM 566 CB ASN A 35 -13.569 0.069 -5.535 1.00 0.36 C ATOM 567 CG ASN A 35 -14.710 0.619 -4.695 1.00 0.50 C ATOM 568 OD1 ASN A 35 -15.550 1.364 -5.192 1.00 0.96 O ATOM 569 ND2 ASN A 35 -14.737 0.276 -3.412 1.00 0.31 N ATOM 0 H ASN A 35 -10.512 -0.074 -6.073 1.00 0.40 H new ATOM 0 HA ASN A 35 -12.456 1.926 -5.447 1.00 0.46 H new ATOM 0 HB2 ASN A 35 -13.856 0.088 -6.587 1.00 0.36 H new ATOM 0 HB3 ASN A 35 -13.398 -0.974 -5.270 1.00 0.36 H new ATOM 0 HD21 ASN A 35 -15.473 0.634 -2.804 1.00 0.31 H new ATOM 0 HD22 ASN A 35 -14.021 -0.346 -3.035 1.00 0.31 H new ATOM 576 N GLY A 36 -11.120 -0.598 -3.833 1.00 0.36 N ATOM 577 CA GLY A 36 -10.732 -1.102 -2.539 1.00 0.19 C ATOM 578 C GLY A 36 -11.219 -2.519 -2.383 1.00 0.13 C ATOM 579 O GLY A 36 -10.443 -3.418 -2.089 1.00 0.12 O ATOM 0 H GLY A 36 -10.889 -1.213 -4.613 1.00 0.36 H new ATOM 0 HA2 GLY A 36 -9.648 -1.065 -2.433 1.00 0.19 H new ATOM 0 HA3 GLY A 36 -11.150 -0.474 -1.752 1.00 0.19 H new ATOM 583 N LEU A 37 -12.512 -2.706 -2.649 1.00 0.15 N ATOM 584 CA LEU A 37 -13.168 -4.021 -2.620 1.00 0.16 C ATOM 585 C LEU A 37 -12.467 -4.996 -3.549 1.00 0.17 C ATOM 586 O LEU A 37 -12.626 -6.211 -3.448 1.00 0.22 O ATOM 587 CB LEU A 37 -14.613 -3.869 -3.077 1.00 0.20 C ATOM 588 CG LEU A 37 -15.499 -3.030 -2.158 1.00 0.24 C ATOM 589 CD1 LEU A 37 -16.652 -2.415 -2.937 1.00 0.29 C ATOM 590 CD2 LEU A 37 -16.032 -3.882 -1.022 1.00 0.30 C ATOM 0 H LEU A 37 -13.143 -1.943 -2.894 1.00 0.15 H new ATOM 0 HA LEU A 37 -13.124 -4.406 -1.601 1.00 0.16 H new ATOM 0 HB2 LEU A 37 -14.618 -3.420 -4.070 1.00 0.20 H new ATOM 0 HB3 LEU A 37 -15.053 -4.861 -3.174 1.00 0.20 H new ATOM 0 HG LEU A 37 -14.895 -2.224 -1.742 1.00 0.24 H new ATOM 0 HD11 LEU A 37 -17.271 -1.822 -2.264 1.00 0.29 H new ATOM 0 HD12 LEU A 37 -16.257 -1.775 -3.726 1.00 0.29 H new ATOM 0 HD13 LEU A 37 -17.255 -3.207 -3.380 1.00 0.29 H new ATOM 0 HD21 LEU A 37 -16.662 -3.272 -0.374 1.00 0.30 H new ATOM 0 HD22 LEU A 37 -16.619 -4.705 -1.429 1.00 0.30 H new ATOM 0 HD23 LEU A 37 -15.198 -4.282 -0.445 1.00 0.30 H new ATOM 602 N GLN A 38 -11.678 -4.436 -4.437 1.00 0.14 N ATOM 603 CA GLN A 38 -10.998 -5.199 -5.456 1.00 0.15 C ATOM 604 C GLN A 38 -9.714 -5.754 -4.880 1.00 0.12 C ATOM 605 O GLN A 38 -9.453 -6.950 -4.945 1.00 0.14 O ATOM 606 CB GLN A 38 -10.690 -4.300 -6.652 1.00 0.21 C ATOM 607 CG GLN A 38 -11.638 -3.120 -6.780 1.00 0.22 C ATOM 608 CD GLN A 38 -12.859 -3.407 -7.618 1.00 0.59 C ATOM 609 OE1 GLN A 38 -13.919 -2.829 -7.398 1.00 1.57 O ATOM 610 NE2 GLN A 38 -12.716 -4.295 -8.576 1.00 1.03 N ATOM 0 H GLN A 38 -11.490 -3.434 -4.472 1.00 0.14 H new ATOM 0 HA GLN A 38 -11.632 -6.021 -5.789 1.00 0.15 H new ATOM 0 HB2 GLN A 38 -9.669 -3.928 -6.564 1.00 0.21 H new ATOM 0 HB3 GLN A 38 -10.736 -4.894 -7.565 1.00 0.21 H new ATOM 0 HG2 GLN A 38 -11.957 -2.812 -5.784 1.00 0.22 H new ATOM 0 HG3 GLN A 38 -11.099 -2.279 -7.216 1.00 0.22 H new ATOM 0 HE21 GLN A 38 -11.814 -4.749 -8.720 1.00 1.03 H new ATOM 0 HE22 GLN A 38 -13.507 -4.530 -9.176 1.00 1.03 H new ATOM 619 N ALA A 39 -8.920 -4.859 -4.302 1.00 0.11 N ATOM 620 CA ALA A 39 -7.747 -5.256 -3.554 1.00 0.10 C ATOM 621 C ALA A 39 -8.171 -6.188 -2.430 1.00 0.10 C ATOM 622 O ALA A 39 -7.460 -7.111 -2.067 1.00 0.11 O ATOM 623 CB ALA A 39 -7.026 -4.040 -2.993 1.00 0.11 C ATOM 0 H ALA A 39 -9.074 -3.851 -4.341 1.00 0.11 H new ATOM 0 HA ALA A 39 -7.055 -5.774 -4.218 1.00 0.10 H new ATOM 0 HB1 ALA A 39 -6.148 -4.363 -2.435 1.00 0.11 H new ATOM 0 HB2 ALA A 39 -6.717 -3.391 -3.812 1.00 0.11 H new ATOM 0 HB3 ALA A 39 -7.696 -3.493 -2.330 1.00 0.11 H new ATOM 629 N LEU A 40 -9.362 -5.928 -1.906 1.00 0.11 N ATOM 630 CA LEU A 40 -9.978 -6.762 -0.888 1.00 0.13 C ATOM 631 C LEU A 40 -10.037 -8.209 -1.355 1.00 0.13 C ATOM 632 O LEU A 40 -9.539 -9.122 -0.683 1.00 0.14 O ATOM 633 CB LEU A 40 -11.386 -6.252 -0.601 1.00 0.18 C ATOM 634 CG LEU A 40 -11.820 -6.320 0.862 1.00 0.26 C ATOM 635 CD1 LEU A 40 -13.224 -5.756 1.032 1.00 0.34 C ATOM 636 CD2 LEU A 40 -11.745 -7.745 1.385 1.00 0.40 C ATOM 0 H LEU A 40 -9.930 -5.126 -2.179 1.00 0.11 H new ATOM 0 HA LEU A 40 -9.380 -6.715 0.022 1.00 0.13 H new ATOM 0 HB2 LEU A 40 -11.455 -5.217 -0.935 1.00 0.18 H new ATOM 0 HB3 LEU A 40 -12.092 -6.828 -1.199 1.00 0.18 H new ATOM 0 HG LEU A 40 -11.133 -5.710 1.448 1.00 0.26 H new ATOM 0 HD11 LEU A 40 -13.515 -5.813 2.081 1.00 0.34 H new ATOM 0 HD12 LEU A 40 -13.240 -4.716 0.708 1.00 0.34 H new ATOM 0 HD13 LEU A 40 -13.924 -6.335 0.429 1.00 0.34 H new ATOM 0 HD21 LEU A 40 -12.059 -7.767 2.429 1.00 0.40 H new ATOM 0 HD22 LEU A 40 -12.402 -8.384 0.795 1.00 0.40 H new ATOM 0 HD23 LEU A 40 -10.720 -8.108 1.307 1.00 0.40 H new ATOM 648 N ASP A 41 -10.642 -8.398 -2.515 1.00 0.14 N ATOM 649 CA ASP A 41 -10.726 -9.709 -3.139 1.00 0.16 C ATOM 650 C ASP A 41 -9.332 -10.291 -3.332 1.00 0.16 C ATOM 651 O ASP A 41 -9.084 -11.460 -3.045 1.00 0.19 O ATOM 652 CB ASP A 41 -11.442 -9.605 -4.490 1.00 0.21 C ATOM 653 CG ASP A 41 -11.288 -10.851 -5.345 1.00 0.87 C ATOM 654 OD1 ASP A 41 -12.125 -11.770 -5.229 1.00 0.93 O ATOM 655 OD2 ASP A 41 -10.339 -10.907 -6.153 1.00 1.72 O ATOM 0 H ASP A 41 -11.087 -7.652 -3.049 1.00 0.14 H new ATOM 0 HA ASP A 41 -11.296 -10.370 -2.486 1.00 0.16 H new ATOM 0 HB2 ASP A 41 -12.502 -9.418 -4.319 1.00 0.21 H new ATOM 0 HB3 ASP A 41 -11.051 -8.747 -5.036 1.00 0.21 H new ATOM 660 N ILE A 42 -8.418 -9.447 -3.780 1.00 0.14 N ATOM 661 CA ILE A 42 -7.057 -9.870 -4.058 1.00 0.15 C ATOM 662 C ILE A 42 -6.284 -10.175 -2.768 1.00 0.14 C ATOM 663 O ILE A 42 -5.311 -10.915 -2.788 1.00 0.17 O ATOM 664 CB ILE A 42 -6.309 -8.813 -4.898 1.00 0.16 C ATOM 665 CG1 ILE A 42 -7.071 -8.531 -6.192 1.00 0.19 C ATOM 666 CG2 ILE A 42 -4.892 -9.277 -5.212 1.00 0.18 C ATOM 667 CD1 ILE A 42 -6.533 -7.341 -6.952 1.00 0.20 C ATOM 0 H ILE A 42 -8.596 -8.459 -3.960 1.00 0.14 H new ATOM 0 HA ILE A 42 -7.118 -10.792 -4.637 1.00 0.15 H new ATOM 0 HB ILE A 42 -6.248 -7.893 -4.316 1.00 0.16 H new ATOM 0 HG12 ILE A 42 -7.027 -9.413 -6.832 1.00 0.19 H new ATOM 0 HG13 ILE A 42 -8.122 -8.360 -5.957 1.00 0.19 H new ATOM 0 HG21 ILE A 42 -4.383 -8.517 -5.805 1.00 0.18 H new ATOM 0 HG22 ILE A 42 -4.347 -9.437 -4.282 1.00 0.18 H new ATOM 0 HG23 ILE A 42 -4.931 -10.210 -5.775 1.00 0.18 H new ATOM 0 HD11 ILE A 42 -7.118 -7.195 -7.860 1.00 0.20 H new ATOM 0 HD12 ILE A 42 -6.602 -6.450 -6.329 1.00 0.20 H new ATOM 0 HD13 ILE A 42 -5.491 -7.519 -7.216 1.00 0.20 H new ATOM 679 N VAL A 43 -6.707 -9.628 -1.639 1.00 0.11 N ATOM 680 CA VAL A 43 -6.065 -9.974 -0.378 1.00 0.11 C ATOM 681 C VAL A 43 -6.539 -11.336 0.105 1.00 0.13 C ATOM 682 O VAL A 43 -5.734 -12.180 0.479 1.00 0.15 O ATOM 683 CB VAL A 43 -6.292 -8.936 0.740 1.00 0.09 C ATOM 684 CG1 VAL A 43 -5.688 -9.441 2.042 1.00 0.17 C ATOM 685 CG2 VAL A 43 -5.688 -7.597 0.375 1.00 0.14 C ATOM 0 H VAL A 43 -7.473 -8.958 -1.567 1.00 0.11 H new ATOM 0 HA VAL A 43 -4.996 -9.992 -0.588 1.00 0.11 H new ATOM 0 HB VAL A 43 -7.366 -8.799 0.866 1.00 0.09 H new ATOM 0 HG11 VAL A 43 -5.851 -8.704 2.829 1.00 0.17 H new ATOM 0 HG12 VAL A 43 -6.162 -10.382 2.322 1.00 0.17 H new ATOM 0 HG13 VAL A 43 -4.618 -9.599 1.909 1.00 0.17 H new ATOM 0 HG21 VAL A 43 -5.864 -6.886 1.182 1.00 0.14 H new ATOM 0 HG22 VAL A 43 -4.615 -7.712 0.220 1.00 0.14 H new ATOM 0 HG23 VAL A 43 -6.149 -7.227 -0.541 1.00 0.14 H new ATOM 695 N THR A 44 -7.843 -11.562 0.083 1.00 0.14 N ATOM 696 CA THR A 44 -8.374 -12.843 0.522 1.00 0.19 C ATOM 697 C THR A 44 -7.986 -13.948 -0.468 1.00 0.22 C ATOM 698 O THR A 44 -7.912 -15.125 -0.105 1.00 0.28 O ATOM 699 CB THR A 44 -9.911 -12.797 0.720 1.00 0.30 C ATOM 700 OG1 THR A 44 -10.391 -14.053 1.219 1.00 0.97 O ATOM 701 CG2 THR A 44 -10.636 -12.454 -0.571 1.00 0.83 C ATOM 0 H THR A 44 -8.543 -10.888 -0.228 1.00 0.14 H new ATOM 0 HA THR A 44 -7.932 -13.068 1.493 1.00 0.19 H new ATOM 0 HB THR A 44 -10.119 -12.012 1.447 1.00 0.30 H new ATOM 0 HG1 THR A 44 -11.362 -14.007 1.340 1.00 0.97 H new ATOM 0 HG21 THR A 44 -11.711 -12.432 -0.390 1.00 0.83 H new ATOM 0 HG22 THR A 44 -10.307 -11.477 -0.924 1.00 0.83 H new ATOM 0 HG23 THR A 44 -10.411 -13.207 -1.326 1.00 0.83 H new ATOM 709 N LYS A 45 -7.700 -13.558 -1.707 1.00 0.22 N ATOM 710 CA LYS A 45 -7.342 -14.515 -2.745 1.00 0.27 C ATOM 711 C LYS A 45 -5.817 -14.671 -2.871 1.00 0.27 C ATOM 712 O LYS A 45 -5.310 -15.791 -2.905 1.00 0.30 O ATOM 713 CB LYS A 45 -7.987 -14.100 -4.077 1.00 0.28 C ATOM 714 CG LYS A 45 -7.050 -13.415 -5.046 1.00 0.32 C ATOM 715 CD LYS A 45 -7.778 -12.976 -6.301 1.00 0.33 C ATOM 716 CE LYS A 45 -6.860 -12.197 -7.223 1.00 1.22 C ATOM 717 NZ LYS A 45 -7.553 -11.776 -8.469 1.00 1.64 N ATOM 0 H LYS A 45 -7.710 -12.586 -2.015 1.00 0.22 H new ATOM 0 HA LYS A 45 -7.729 -15.495 -2.465 1.00 0.27 H new ATOM 0 HB2 LYS A 45 -8.400 -14.987 -4.557 1.00 0.28 H new ATOM 0 HB3 LYS A 45 -8.823 -13.433 -3.868 1.00 0.28 H new ATOM 0 HG2 LYS A 45 -6.596 -12.549 -4.565 1.00 0.32 H new ATOM 0 HG3 LYS A 45 -6.239 -14.093 -5.312 1.00 0.32 H new ATOM 0 HD2 LYS A 45 -8.167 -13.850 -6.824 1.00 0.33 H new ATOM 0 HD3 LYS A 45 -8.635 -12.359 -6.031 1.00 0.33 H new ATOM 0 HE2 LYS A 45 -6.484 -11.317 -6.702 1.00 1.22 H new ATOM 0 HE3 LYS A 45 -5.996 -12.810 -7.478 1.00 1.22 H new ATOM 0 HZ1 LYS A 45 -6.892 -11.247 -9.072 1.00 1.64 H new ATOM 0 HZ2 LYS A 45 -7.890 -12.617 -8.980 1.00 1.64 H new ATOM 0 HZ3 LYS A 45 -8.363 -11.170 -8.228 1.00 1.64 H new ATOM 731 N GLU A 46 -5.086 -13.559 -2.911 1.00 0.27 N ATOM 732 CA GLU A 46 -3.641 -13.613 -3.111 1.00 0.30 C ATOM 733 C GLU A 46 -2.881 -13.483 -1.805 1.00 0.29 C ATOM 734 O GLU A 46 -1.829 -14.095 -1.634 1.00 0.34 O ATOM 735 CB GLU A 46 -3.170 -12.539 -4.085 1.00 0.29 C ATOM 736 CG GLU A 46 -3.590 -12.860 -5.501 1.00 0.36 C ATOM 737 CD GLU A 46 -2.758 -12.174 -6.549 1.00 0.75 C ATOM 738 OE1 GLU A 46 -1.685 -12.710 -6.896 1.00 0.59 O ATOM 739 OE2 GLU A 46 -3.143 -11.090 -7.015 1.00 1.76 O ATOM 0 H GLU A 46 -5.467 -12.618 -2.809 1.00 0.27 H new ATOM 0 HA GLU A 46 -3.428 -14.594 -3.537 1.00 0.30 H new ATOM 0 HB2 GLU A 46 -3.581 -11.573 -3.791 1.00 0.29 H new ATOM 0 HB3 GLU A 46 -2.085 -12.451 -4.036 1.00 0.29 H new ATOM 0 HG2 GLU A 46 -3.532 -13.938 -5.652 1.00 0.36 H new ATOM 0 HG3 GLU A 46 -4.634 -12.575 -5.634 1.00 0.36 H new ATOM 746 N ARG A 47 -3.440 -12.697 -0.888 1.00 0.27 N ATOM 747 CA ARG A 47 -2.761 -12.309 0.345 1.00 0.27 C ATOM 748 C ARG A 47 -1.392 -11.737 0.007 1.00 0.27 C ATOM 749 O ARG A 47 -0.375 -12.430 0.086 1.00 0.35 O ATOM 750 CB ARG A 47 -2.632 -13.491 1.318 1.00 0.32 C ATOM 751 CG ARG A 47 -2.511 -13.086 2.789 1.00 0.58 C ATOM 752 CD ARG A 47 -1.177 -12.420 3.101 1.00 1.26 C ATOM 753 NE ARG A 47 -1.101 -11.931 4.479 1.00 2.00 N ATOM 754 CZ ARG A 47 -0.065 -11.247 4.970 1.00 2.89 C ATOM 755 NH1 ARG A 47 0.978 -10.965 4.196 1.00 3.35 N ATOM 756 NH2 ARG A 47 -0.087 -10.825 6.230 1.00 3.75 N ATOM 0 H ARG A 47 -4.379 -12.310 -0.980 1.00 0.27 H new ATOM 0 HA ARG A 47 -3.360 -11.548 0.845 1.00 0.27 H new ATOM 0 HB2 ARG A 47 -3.501 -14.138 1.202 1.00 0.32 H new ATOM 0 HB3 ARG A 47 -1.757 -14.080 1.042 1.00 0.32 H new ATOM 0 HG2 ARG A 47 -3.322 -12.404 3.043 1.00 0.58 H new ATOM 0 HG3 ARG A 47 -2.629 -13.969 3.417 1.00 0.58 H new ATOM 0 HD2 ARG A 47 -0.370 -13.132 2.927 1.00 1.26 H new ATOM 0 HD3 ARG A 47 -1.021 -11.588 2.415 1.00 1.26 H new ATOM 0 HE ARG A 47 -1.886 -12.124 5.101 1.00 2.00 H new ATOM 0 HH11 ARG A 47 0.989 -11.271 3.223 1.00 3.35 H new ATOM 0 HH12 ARG A 47 1.768 -10.442 4.575 1.00 3.35 H new ATOM 0 HH21 ARG A 47 -0.895 -11.024 6.820 1.00 3.75 H new ATOM 0 HH22 ARG A 47 0.704 -10.302 6.607 1.00 3.75 H new ATOM 770 N PRO A 48 -1.371 -10.482 -0.460 1.00 0.23 N ATOM 771 CA PRO A 48 -0.132 -9.753 -0.693 1.00 0.22 C ATOM 772 C PRO A 48 0.719 -9.669 0.577 1.00 0.26 C ATOM 773 O PRO A 48 0.364 -10.230 1.608 1.00 0.44 O ATOM 774 CB PRO A 48 -0.576 -8.346 -1.112 1.00 0.18 C ATOM 775 CG PRO A 48 -2.067 -8.333 -1.126 1.00 0.19 C ATOM 776 CD PRO A 48 -2.563 -9.718 -0.835 1.00 0.34 C ATOM 0 HA PRO A 48 0.482 -10.248 -1.445 1.00 0.22 H new ATOM 0 HB2 PRO A 48 -0.192 -7.600 -0.416 1.00 0.18 H new ATOM 0 HB3 PRO A 48 -0.181 -8.097 -2.097 1.00 0.18 H new ATOM 0 HG2 PRO A 48 -2.446 -7.632 -0.382 1.00 0.19 H new ATOM 0 HG3 PRO A 48 -2.433 -7.997 -2.096 1.00 0.19 H new ATOM 0 HD2 PRO A 48 -3.297 -9.712 -0.029 1.00 0.34 H new ATOM 0 HD3 PRO A 48 -3.051 -10.153 -1.707 1.00 0.34 H new ATOM 784 N ASP A 49 1.831 -8.962 0.520 1.00 0.25 N ATOM 785 CA ASP A 49 2.629 -8.762 1.721 1.00 0.30 C ATOM 786 C ASP A 49 2.414 -7.353 2.230 1.00 0.27 C ATOM 787 O ASP A 49 2.778 -7.027 3.350 1.00 0.47 O ATOM 788 CB ASP A 49 4.116 -9.005 1.471 1.00 0.41 C ATOM 789 CG ASP A 49 4.742 -9.899 2.527 1.00 0.80 C ATOM 790 OD1 ASP A 49 4.376 -9.780 3.717 1.00 1.10 O ATOM 791 OD2 ASP A 49 5.603 -10.735 2.166 1.00 1.43 O ATOM 0 H ASP A 49 2.199 -8.524 -0.324 1.00 0.25 H new ATOM 0 HA ASP A 49 2.305 -9.488 2.467 1.00 0.30 H new ATOM 0 HB2 ASP A 49 4.247 -9.460 0.489 1.00 0.41 H new ATOM 0 HB3 ASP A 49 4.639 -8.049 1.451 1.00 0.41 H new ATOM 796 N LEU A 50 1.831 -6.517 1.379 1.00 0.17 N ATOM 797 CA LEU A 50 1.492 -5.151 1.756 1.00 0.17 C ATOM 798 C LEU A 50 0.406 -4.606 0.821 1.00 0.14 C ATOM 799 O LEU A 50 0.310 -5.008 -0.340 1.00 0.15 O ATOM 800 CB LEU A 50 2.770 -4.284 1.778 1.00 0.24 C ATOM 801 CG LEU A 50 2.591 -2.774 1.986 1.00 0.19 C ATOM 802 CD1 LEU A 50 3.837 -2.191 2.635 1.00 0.38 C ATOM 803 CD2 LEU A 50 2.335 -2.076 0.663 1.00 0.45 C ATOM 0 H LEU A 50 1.583 -6.763 0.421 1.00 0.17 H new ATOM 0 HA LEU A 50 1.077 -5.127 2.764 1.00 0.17 H new ATOM 0 HB2 LEU A 50 3.419 -4.659 2.569 1.00 0.24 H new ATOM 0 HB3 LEU A 50 3.297 -4.435 0.836 1.00 0.24 H new ATOM 0 HG LEU A 50 1.731 -2.616 2.637 1.00 0.19 H new ATOM 0 HD11 LEU A 50 3.704 -1.119 2.780 1.00 0.38 H new ATOM 0 HD12 LEU A 50 4.003 -2.670 3.600 1.00 0.38 H new ATOM 0 HD13 LEU A 50 4.699 -2.366 1.991 1.00 0.38 H new ATOM 0 HD21 LEU A 50 2.211 -1.007 0.834 1.00 0.45 H new ATOM 0 HD22 LEU A 50 3.180 -2.241 -0.005 1.00 0.45 H new ATOM 0 HD23 LEU A 50 1.429 -2.478 0.209 1.00 0.45 H new ATOM 815 N VAL A 51 -0.434 -3.718 1.343 1.00 0.14 N ATOM 816 CA VAL A 51 -1.572 -3.181 0.596 1.00 0.14 C ATOM 817 C VAL A 51 -1.652 -1.666 0.766 1.00 0.17 C ATOM 818 O VAL A 51 -1.310 -1.148 1.819 1.00 0.39 O ATOM 819 CB VAL A 51 -2.897 -3.798 1.098 1.00 0.14 C ATOM 820 CG1 VAL A 51 -4.096 -3.179 0.393 1.00 0.97 C ATOM 821 CG2 VAL A 51 -2.892 -5.307 0.916 1.00 0.94 C ATOM 0 H VAL A 51 -0.348 -3.350 2.291 1.00 0.14 H new ATOM 0 HA VAL A 51 -1.425 -3.432 -0.455 1.00 0.14 H new ATOM 0 HB VAL A 51 -2.983 -3.579 2.162 1.00 0.14 H new ATOM 0 HG11 VAL A 51 -5.013 -3.634 0.768 1.00 0.97 H new ATOM 0 HG12 VAL A 51 -4.118 -2.106 0.586 1.00 0.97 H new ATOM 0 HG13 VAL A 51 -4.017 -3.353 -0.680 1.00 0.97 H new ATOM 0 HG21 VAL A 51 -3.834 -5.720 1.276 1.00 0.94 H new ATOM 0 HG22 VAL A 51 -2.771 -5.546 -0.141 1.00 0.94 H new ATOM 0 HG23 VAL A 51 -2.067 -5.739 1.482 1.00 0.94 H new ATOM 831 N LEU A 52 -2.095 -0.962 -0.266 1.00 0.14 N ATOM 832 CA LEU A 52 -2.360 0.464 -0.166 1.00 0.13 C ATOM 833 C LEU A 52 -3.784 0.788 -0.597 1.00 0.14 C ATOM 834 O LEU A 52 -4.284 0.251 -1.588 1.00 0.18 O ATOM 835 CB LEU A 52 -1.376 1.296 -0.990 1.00 0.15 C ATOM 836 CG LEU A 52 -0.203 1.877 -0.200 1.00 0.17 C ATOM 837 CD1 LEU A 52 0.913 0.858 -0.064 1.00 0.20 C ATOM 838 CD2 LEU A 52 0.301 3.146 -0.858 1.00 0.25 C ATOM 0 H LEU A 52 -2.279 -1.359 -1.187 1.00 0.14 H new ATOM 0 HA LEU A 52 -2.231 0.728 0.884 1.00 0.13 H new ATOM 0 HB2 LEU A 52 -0.981 0.674 -1.793 1.00 0.15 H new ATOM 0 HB3 LEU A 52 -1.920 2.116 -1.459 1.00 0.15 H new ATOM 0 HG LEU A 52 -0.553 2.126 0.802 1.00 0.17 H new ATOM 0 HD11 LEU A 52 1.737 1.294 0.502 1.00 0.20 H new ATOM 0 HD12 LEU A 52 0.540 -0.023 0.459 1.00 0.20 H new ATOM 0 HD13 LEU A 52 1.265 0.570 -1.054 1.00 0.20 H new ATOM 0 HD21 LEU A 52 1.136 3.547 -0.283 1.00 0.25 H new ATOM 0 HD22 LEU A 52 0.632 2.923 -1.872 1.00 0.25 H new ATOM 0 HD23 LEU A 52 -0.502 3.882 -0.892 1.00 0.25 H new ATOM 850 N LEU A 53 -4.422 1.672 0.154 1.00 0.16 N ATOM 851 CA LEU A 53 -5.796 2.078 -0.108 1.00 0.17 C ATOM 852 C LEU A 53 -5.874 3.590 -0.223 1.00 0.19 C ATOM 853 O LEU A 53 -5.860 4.280 0.791 1.00 0.36 O ATOM 854 CB LEU A 53 -6.711 1.653 1.043 1.00 0.21 C ATOM 855 CG LEU A 53 -6.633 0.190 1.457 1.00 0.25 C ATOM 856 CD1 LEU A 53 -7.408 -0.020 2.735 1.00 0.42 C ATOM 857 CD2 LEU A 53 -7.169 -0.716 0.364 1.00 0.53 C ATOM 0 H LEU A 53 -4.002 2.129 0.963 1.00 0.16 H new ATOM 0 HA LEU A 53 -6.115 1.602 -1.035 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -6.477 2.268 1.912 1.00 0.21 H new ATOM 0 HB3 LEU A 53 -7.741 1.876 0.763 1.00 0.21 H new ATOM 0 HG LEU A 53 -5.587 -0.066 1.623 1.00 0.25 H new ATOM 0 HD11 LEU A 53 -7.350 -1.068 3.028 1.00 0.42 H new ATOM 0 HD12 LEU A 53 -6.984 0.601 3.524 1.00 0.42 H new ATOM 0 HD13 LEU A 53 -8.451 0.255 2.578 1.00 0.42 H new ATOM 0 HD21 LEU A 53 -7.101 -1.755 0.687 1.00 0.53 H new ATOM 0 HD22 LEU A 53 -8.211 -0.466 0.162 1.00 0.53 H new ATOM 0 HD23 LEU A 53 -6.581 -0.579 -0.543 1.00 0.53 H new ATOM 869 N ASP A 54 -5.937 4.117 -1.429 1.00 0.23 N ATOM 870 CA ASP A 54 -6.106 5.554 -1.583 1.00 0.23 C ATOM 871 C ASP A 54 -7.536 5.930 -1.244 1.00 0.24 C ATOM 872 O ASP A 54 -8.425 5.725 -2.044 1.00 0.29 O ATOM 873 CB ASP A 54 -5.798 5.992 -3.021 1.00 0.29 C ATOM 874 CG ASP A 54 -5.775 7.498 -3.183 1.00 0.31 C ATOM 875 OD1 ASP A 54 -5.268 8.190 -2.281 1.00 0.33 O ATOM 876 OD2 ASP A 54 -6.276 7.998 -4.215 1.00 0.35 O ATOM 0 H ASP A 54 -5.876 3.590 -2.300 1.00 0.23 H new ATOM 0 HA ASP A 54 -5.412 6.057 -0.909 1.00 0.23 H new ATOM 0 HB2 ASP A 54 -4.833 5.584 -3.322 1.00 0.29 H new ATOM 0 HB3 ASP A 54 -6.546 5.570 -3.693 1.00 0.29 H new ATOM 881 N MET A 55 -7.775 6.494 -0.070 1.00 0.22 N ATOM 882 CA MET A 55 -9.131 6.926 0.274 1.00 0.25 C ATOM 883 C MET A 55 -9.408 8.248 -0.431 1.00 0.26 C ATOM 884 O MET A 55 -10.472 8.853 -0.293 1.00 0.29 O ATOM 885 CB MET A 55 -9.331 7.026 1.799 1.00 0.26 C ATOM 886 CG MET A 55 -8.445 8.051 2.516 1.00 0.25 C ATOM 887 SD MET A 55 -8.971 9.763 2.296 1.00 0.68 S ATOM 888 CE MET A 55 -10.630 9.703 2.974 1.00 0.38 C ATOM 0 H MET A 55 -7.071 6.663 0.648 1.00 0.22 H new ATOM 0 HA MET A 55 -9.850 6.181 -0.067 1.00 0.25 H new ATOM 0 HB2 MET A 55 -10.374 7.273 1.995 1.00 0.26 H new ATOM 0 HB3 MET A 55 -9.148 6.045 2.237 1.00 0.26 H new ATOM 0 HG2 MET A 55 -8.431 7.821 3.581 1.00 0.25 H new ATOM 0 HG3 MET A 55 -7.422 7.947 2.154 1.00 0.25 H new ATOM 0 HE1 MET A 55 -10.925 10.699 3.304 1.00 0.38 H new ATOM 0 HE2 MET A 55 -11.323 9.354 2.209 1.00 0.38 H new ATOM 0 HE3 MET A 55 -10.652 9.019 3.822 1.00 0.38 H new ATOM 898 N LYS A 56 -8.425 8.659 -1.217 1.00 0.26 N ATOM 899 CA LYS A 56 -8.515 9.834 -2.051 1.00 0.31 C ATOM 900 C LYS A 56 -8.960 9.410 -3.446 1.00 0.35 C ATOM 901 O LYS A 56 -9.150 10.232 -4.347 1.00 0.41 O ATOM 902 CB LYS A 56 -7.154 10.523 -2.084 1.00 0.35 C ATOM 903 CG LYS A 56 -7.115 11.798 -2.898 1.00 0.45 C ATOM 904 CD LYS A 56 -8.284 12.725 -2.593 1.00 0.49 C ATOM 905 CE LYS A 56 -8.574 12.804 -1.106 1.00 0.38 C ATOM 906 NZ LYS A 56 -9.661 13.771 -0.797 1.00 0.44 N ATOM 0 H LYS A 56 -7.531 8.174 -1.290 1.00 0.26 H new ATOM 0 HA LYS A 56 -9.245 10.540 -1.655 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -6.851 10.750 -1.062 1.00 0.35 H new ATOM 0 HB3 LYS A 56 -6.418 9.827 -2.487 1.00 0.35 H new ATOM 0 HG2 LYS A 56 -6.180 12.322 -2.701 1.00 0.45 H new ATOM 0 HG3 LYS A 56 -7.122 11.548 -3.959 1.00 0.45 H new ATOM 0 HD2 LYS A 56 -8.064 13.723 -2.973 1.00 0.49 H new ATOM 0 HD3 LYS A 56 -9.172 12.373 -3.117 1.00 0.49 H new ATOM 0 HE2 LYS A 56 -8.853 11.816 -0.739 1.00 0.38 H new ATOM 0 HE3 LYS A 56 -7.668 13.097 -0.576 1.00 0.38 H new ATOM 0 HZ1 LYS A 56 -9.247 14.697 -0.567 1.00 0.44 H new ATOM 0 HZ2 LYS A 56 -10.286 13.866 -1.623 1.00 0.44 H new ATOM 0 HZ3 LYS A 56 -10.211 13.427 0.016 1.00 0.44 H new ATOM 920 N ILE A 57 -9.123 8.103 -3.601 1.00 0.36 N ATOM 921 CA ILE A 57 -9.570 7.509 -4.845 1.00 0.43 C ATOM 922 C ILE A 57 -10.881 8.142 -5.308 1.00 0.38 C ATOM 923 O ILE A 57 -11.731 8.499 -4.486 1.00 0.45 O ATOM 924 CB ILE A 57 -9.752 5.979 -4.676 1.00 0.57 C ATOM 925 CG1 ILE A 57 -10.078 5.309 -6.007 1.00 0.93 C ATOM 926 CG2 ILE A 57 -10.848 5.677 -3.660 1.00 0.71 C ATOM 927 CD1 ILE A 57 -10.286 3.815 -5.899 1.00 1.79 C ATOM 0 H ILE A 57 -8.947 7.424 -2.860 1.00 0.36 H new ATOM 0 HA ILE A 57 -8.809 7.695 -5.603 1.00 0.43 H new ATOM 0 HB ILE A 57 -8.808 5.574 -4.311 1.00 0.57 H new ATOM 0 HG12 ILE A 57 -10.978 5.763 -6.422 1.00 0.93 H new ATOM 0 HG13 ILE A 57 -9.269 5.505 -6.710 1.00 0.93 H new ATOM 0 HG21 ILE A 57 -10.960 4.598 -3.556 1.00 0.71 H new ATOM 0 HG22 ILE A 57 -10.579 6.109 -2.696 1.00 0.71 H new ATOM 0 HG23 ILE A 57 -11.789 6.108 -4.001 1.00 0.71 H new ATOM 0 HD11 ILE A 57 -10.514 3.407 -6.884 1.00 1.79 H new ATOM 0 HD12 ILE A 57 -9.379 3.348 -5.514 1.00 1.79 H new ATOM 0 HD13 ILE A 57 -11.115 3.611 -5.221 1.00 1.79 H new ATOM 939 N PRO A 58 -11.018 8.368 -6.622 1.00 0.34 N ATOM 940 CA PRO A 58 -12.273 8.812 -7.229 1.00 0.31 C ATOM 941 C PRO A 58 -13.453 7.921 -6.849 1.00 0.41 C ATOM 942 O PRO A 58 -13.756 6.946 -7.536 1.00 1.18 O ATOM 943 CB PRO A 58 -11.995 8.703 -8.720 1.00 0.46 C ATOM 944 CG PRO A 58 -10.526 8.865 -8.843 1.00 0.70 C ATOM 945 CD PRO A 58 -9.941 8.246 -7.618 1.00 0.41 C ATOM 0 HA PRO A 58 -12.552 9.812 -6.898 1.00 0.31 H new ATOM 0 HB2 PRO A 58 -12.321 7.741 -9.114 1.00 0.46 H new ATOM 0 HB3 PRO A 58 -12.526 9.473 -9.279 1.00 0.46 H new ATOM 0 HG2 PRO A 58 -10.153 8.376 -9.743 1.00 0.70 H new ATOM 0 HG3 PRO A 58 -10.254 9.918 -8.916 1.00 0.70 H new ATOM 0 HD2 PRO A 58 -9.667 7.205 -7.787 1.00 0.41 H new ATOM 0 HD3 PRO A 58 -9.038 8.766 -7.298 1.00 0.41 H new ATOM 953 N GLY A 59 -14.105 8.252 -5.746 1.00 0.86 N ATOM 954 CA GLY A 59 -15.223 7.464 -5.289 1.00 0.93 C ATOM 955 C GLY A 59 -14.812 6.412 -4.279 1.00 0.80 C ATOM 956 O GLY A 59 -13.882 5.646 -4.524 1.00 1.71 O ATOM 0 H GLY A 59 -13.877 9.055 -5.160 1.00 0.86 H new ATOM 0 HA2 GLY A 59 -15.969 8.121 -4.842 1.00 0.93 H new ATOM 0 HA3 GLY A 59 -15.696 6.979 -6.143 1.00 0.93 H new ATOM 960 N MET A 60 -15.515 6.388 -3.150 1.00 0.77 N ATOM 961 CA MET A 60 -15.307 5.396 -2.099 1.00 0.49 C ATOM 962 C MET A 60 -13.964 5.528 -1.388 1.00 0.60 C ATOM 963 O MET A 60 -13.180 6.451 -1.616 1.00 1.30 O ATOM 964 CB MET A 60 -15.431 3.982 -2.663 1.00 0.65 C ATOM 965 CG MET A 60 -16.831 3.626 -3.112 1.00 0.83 C ATOM 966 SD MET A 60 -17.983 3.460 -1.736 1.00 1.92 S ATOM 967 CE MET A 60 -19.470 2.991 -2.618 1.00 2.52 C ATOM 0 H MET A 60 -16.251 7.062 -2.937 1.00 0.77 H new ATOM 0 HA MET A 60 -16.086 5.586 -1.360 1.00 0.49 H new ATOM 0 HB2 MET A 60 -14.750 3.877 -3.508 1.00 0.65 H new ATOM 0 HB3 MET A 60 -15.110 3.268 -1.904 1.00 0.65 H new ATOM 0 HG2 MET A 60 -17.195 4.394 -3.795 1.00 0.83 H new ATOM 0 HG3 MET A 60 -16.802 2.691 -3.671 1.00 0.83 H new ATOM 0 HE1 MET A 60 -20.285 2.848 -1.908 1.00 2.52 H new ATOM 0 HE2 MET A 60 -19.738 3.777 -3.324 1.00 2.52 H new ATOM 0 HE3 MET A 60 -19.294 2.062 -3.160 1.00 2.52 H new ATOM 977 N ASP A 61 -13.767 4.592 -0.480 1.00 0.36 N ATOM 978 CA ASP A 61 -12.517 4.363 0.226 1.00 0.35 C ATOM 979 C ASP A 61 -12.376 2.866 0.386 1.00 0.47 C ATOM 980 O ASP A 61 -13.368 2.140 0.311 1.00 1.11 O ATOM 981 CB ASP A 61 -12.513 5.015 1.619 1.00 0.42 C ATOM 982 CG ASP A 61 -13.800 4.769 2.375 1.00 0.68 C ATOM 983 OD1 ASP A 61 -13.933 3.689 2.980 1.00 1.07 O ATOM 984 OD2 ASP A 61 -14.681 5.653 2.359 1.00 0.99 O ATOM 0 H ASP A 61 -14.502 3.943 -0.201 1.00 0.36 H new ATOM 0 HA ASP A 61 -11.695 4.802 -0.340 1.00 0.35 H new ATOM 0 HB2 ASP A 61 -11.675 4.625 2.197 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -12.356 6.089 1.514 1.00 0.42 H new ATOM 989 N GLY A 62 -11.171 2.392 0.595 1.00 0.36 N ATOM 990 CA GLY A 62 -11.000 0.995 0.903 1.00 0.32 C ATOM 991 C GLY A 62 -10.977 0.779 2.401 1.00 0.29 C ATOM 992 O GLY A 62 -10.349 -0.151 2.890 1.00 0.31 O ATOM 0 H GLY A 62 -10.312 2.940 0.558 1.00 0.36 H new ATOM 0 HA2 GLY A 62 -11.811 0.417 0.459 1.00 0.32 H new ATOM 0 HA3 GLY A 62 -10.071 0.631 0.463 1.00 0.32 H new ATOM 996 N ILE A 63 -11.676 1.637 3.134 1.00 0.28 N ATOM 997 CA ILE A 63 -11.576 1.644 4.586 1.00 0.29 C ATOM 998 C ILE A 63 -12.253 0.410 5.189 1.00 0.29 C ATOM 999 O ILE A 63 -11.630 -0.348 5.933 1.00 0.31 O ATOM 1000 CB ILE A 63 -12.167 2.933 5.207 1.00 0.30 C ATOM 1001 CG1 ILE A 63 -11.268 4.166 4.948 1.00 0.34 C ATOM 1002 CG2 ILE A 63 -12.385 2.750 6.706 1.00 0.41 C ATOM 1003 CD1 ILE A 63 -10.114 3.951 3.988 1.00 0.52 C ATOM 0 H ILE A 63 -12.314 2.333 2.749 1.00 0.28 H new ATOM 0 HA ILE A 63 -10.513 1.618 4.827 1.00 0.29 H new ATOM 0 HB ILE A 63 -13.126 3.116 4.723 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -11.892 4.972 4.562 1.00 0.34 H new ATOM 0 HG13 ILE A 63 -10.864 4.504 5.902 1.00 0.34 H new ATOM 0 HG21 ILE A 63 -12.801 3.665 7.128 1.00 0.41 H new ATOM 0 HG22 ILE A 63 -13.077 1.925 6.875 1.00 0.41 H new ATOM 0 HG23 ILE A 63 -11.433 2.529 7.188 1.00 0.41 H new ATOM 0 HD11 ILE A 63 -9.552 4.879 3.881 1.00 0.52 H new ATOM 0 HD12 ILE A 63 -9.458 3.172 4.376 1.00 0.52 H new ATOM 0 HD13 ILE A 63 -10.501 3.647 3.016 1.00 0.52 H new ATOM 1015 N GLU A 64 -13.527 0.194 4.847 1.00 0.31 N ATOM 1016 CA GLU A 64 -14.235 -1.022 5.259 1.00 0.35 C ATOM 1017 C GLU A 64 -13.626 -2.220 4.551 1.00 0.29 C ATOM 1018 O GLU A 64 -13.850 -3.369 4.918 1.00 0.28 O ATOM 1019 CB GLU A 64 -15.724 -0.931 4.930 1.00 0.46 C ATOM 1020 CG GLU A 64 -16.428 0.248 5.580 1.00 0.73 C ATOM 1021 CD GLU A 64 -17.921 0.232 5.333 1.00 1.14 C ATOM 1022 OE1 GLU A 64 -18.351 0.639 4.233 1.00 1.63 O ATOM 1023 OE2 GLU A 64 -18.670 -0.201 6.234 1.00 1.69 O ATOM 0 H GLU A 64 -14.086 0.840 4.290 1.00 0.31 H new ATOM 0 HA GLU A 64 -14.133 -1.134 6.338 1.00 0.35 H new ATOM 0 HB2 GLU A 64 -15.843 -0.862 3.849 1.00 0.46 H new ATOM 0 HB3 GLU A 64 -16.213 -1.853 5.246 1.00 0.46 H new ATOM 0 HG2 GLU A 64 -16.239 0.234 6.653 1.00 0.73 H new ATOM 0 HG3 GLU A 64 -16.008 1.177 5.194 1.00 0.73 H new ATOM 1030 N ILE A 65 -12.837 -1.925 3.542 1.00 0.26 N ATOM 1031 CA ILE A 65 -12.132 -2.938 2.789 1.00 0.24 C ATOM 1032 C ILE A 65 -10.976 -3.480 3.628 1.00 0.24 C ATOM 1033 O ILE A 65 -10.877 -4.684 3.844 1.00 0.24 O ATOM 1034 CB ILE A 65 -11.610 -2.349 1.454 1.00 0.23 C ATOM 1035 CG1 ILE A 65 -12.723 -2.257 0.397 1.00 0.38 C ATOM 1036 CG2 ILE A 65 -10.443 -3.160 0.918 1.00 0.26 C ATOM 1037 CD1 ILE A 65 -14.075 -1.828 0.918 1.00 0.50 C ATOM 0 H ILE A 65 -12.666 -0.973 3.220 1.00 0.26 H new ATOM 0 HA ILE A 65 -12.814 -3.755 2.554 1.00 0.24 H new ATOM 0 HB ILE A 65 -11.264 -1.337 1.666 1.00 0.23 H new ATOM 0 HG12 ILE A 65 -12.410 -1.555 -0.376 1.00 0.38 H new ATOM 0 HG13 ILE A 65 -12.829 -3.231 -0.081 1.00 0.38 H new ATOM 0 HG21 ILE A 65 -10.097 -2.724 -0.019 1.00 0.26 H new ATOM 0 HG22 ILE A 65 -9.630 -3.152 1.644 1.00 0.26 H new ATOM 0 HG23 ILE A 65 -10.763 -4.187 0.744 1.00 0.26 H new ATOM 0 HD11 ILE A 65 -14.788 -1.795 0.095 1.00 0.50 H new ATOM 0 HD12 ILE A 65 -14.419 -2.541 1.668 1.00 0.50 H new ATOM 0 HD13 ILE A 65 -13.994 -0.839 1.368 1.00 0.50 H new ATOM 1049 N ALA A 66 -10.127 -2.579 4.126 1.00 0.25 N ATOM 1050 CA ALA A 66 -9.061 -2.955 5.051 1.00 0.26 C ATOM 1051 C ALA A 66 -9.664 -3.534 6.313 1.00 0.24 C ATOM 1052 O ALA A 66 -9.081 -4.387 6.966 1.00 0.26 O ATOM 1053 CB ALA A 66 -8.199 -1.758 5.397 1.00 0.28 C ATOM 0 H ALA A 66 -10.159 -1.584 3.903 1.00 0.25 H new ATOM 0 HA ALA A 66 -8.432 -3.703 4.569 1.00 0.26 H new ATOM 0 HB1 ALA A 66 -7.412 -2.063 6.087 1.00 0.28 H new ATOM 0 HB2 ALA A 66 -7.749 -1.359 4.488 1.00 0.28 H new ATOM 0 HB3 ALA A 66 -8.814 -0.990 5.865 1.00 0.28 H new ATOM 1059 N LYS A 67 -10.838 -3.039 6.643 1.00 0.23 N ATOM 1060 CA LYS A 67 -11.653 -3.580 7.712 1.00 0.23 C ATOM 1061 C LYS A 67 -11.884 -5.080 7.517 1.00 0.24 C ATOM 1062 O LYS A 67 -11.657 -5.883 8.419 1.00 0.29 O ATOM 1063 CB LYS A 67 -12.961 -2.792 7.726 1.00 0.26 C ATOM 1064 CG LYS A 67 -14.177 -3.529 8.233 1.00 0.38 C ATOM 1065 CD LYS A 67 -14.152 -3.645 9.749 1.00 0.41 C ATOM 1066 CE LYS A 67 -14.859 -2.470 10.408 1.00 0.72 C ATOM 1067 NZ LYS A 67 -16.327 -2.500 10.179 1.00 1.05 N ATOM 0 H LYS A 67 -11.259 -2.239 6.171 1.00 0.23 H new ATOM 0 HA LYS A 67 -11.152 -3.478 8.675 1.00 0.23 H new ATOM 0 HB2 LYS A 67 -12.819 -1.903 8.340 1.00 0.26 H new ATOM 0 HB3 LYS A 67 -13.166 -2.450 6.712 1.00 0.26 H new ATOM 0 HG2 LYS A 67 -15.080 -3.006 7.920 1.00 0.38 H new ATOM 0 HG3 LYS A 67 -14.215 -4.524 7.789 1.00 0.38 H new ATOM 0 HD2 LYS A 67 -14.631 -4.576 10.052 1.00 0.41 H new ATOM 0 HD3 LYS A 67 -13.119 -3.691 10.095 1.00 0.41 H new ATOM 0 HE2 LYS A 67 -14.660 -2.482 11.480 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -14.451 -1.537 10.018 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -16.803 -1.926 10.904 1.00 1.05 H new ATOM 0 HZ2 LYS A 67 -16.539 -2.114 9.237 1.00 1.05 H new ATOM 0 HZ3 LYS A 67 -16.667 -3.481 10.236 1.00 1.05 H new ATOM 1081 N ARG A 68 -12.299 -5.452 6.325 1.00 0.22 N ATOM 1082 CA ARG A 68 -12.542 -6.847 5.996 1.00 0.23 C ATOM 1083 C ARG A 68 -11.223 -7.572 5.752 1.00 0.24 C ATOM 1084 O ARG A 68 -11.118 -8.781 5.928 1.00 0.29 O ATOM 1085 CB ARG A 68 -13.440 -6.914 4.771 1.00 0.25 C ATOM 1086 CG ARG A 68 -14.774 -6.237 5.004 1.00 0.28 C ATOM 1087 CD ARG A 68 -15.410 -5.784 3.700 1.00 0.30 C ATOM 1088 NE ARG A 68 -16.705 -5.139 3.921 1.00 0.84 N ATOM 1089 CZ ARG A 68 -17.586 -4.868 2.954 1.00 0.93 C ATOM 1090 NH1 ARG A 68 -17.344 -5.235 1.700 1.00 0.68 N ATOM 1091 NH2 ARG A 68 -18.726 -4.256 3.244 1.00 1.58 N ATOM 0 H ARG A 68 -12.478 -4.803 5.558 1.00 0.22 H new ATOM 0 HA ARG A 68 -13.040 -7.343 6.829 1.00 0.23 H new ATOM 0 HB2 ARG A 68 -12.937 -6.442 3.927 1.00 0.25 H new ATOM 0 HB3 ARG A 68 -13.606 -7.957 4.500 1.00 0.25 H new ATOM 0 HG2 ARG A 68 -15.446 -6.925 5.517 1.00 0.28 H new ATOM 0 HG3 ARG A 68 -14.636 -5.377 5.660 1.00 0.28 H new ATOM 0 HD2 ARG A 68 -14.741 -5.090 3.191 1.00 0.30 H new ATOM 0 HD3 ARG A 68 -15.540 -6.643 3.041 1.00 0.30 H new ATOM 0 HE ARG A 68 -16.951 -4.879 4.876 1.00 0.84 H new ATOM 0 HH11 ARG A 68 -16.481 -5.727 1.470 1.00 0.68 H new ATOM 0 HH12 ARG A 68 -18.022 -5.024 0.967 1.00 0.68 H new ATOM 0 HH21 ARG A 68 -18.932 -3.991 4.207 1.00 1.58 H new ATOM 0 HH22 ARG A 68 -19.397 -4.050 2.504 1.00 1.58 H new ATOM 1105 N MET A 69 -10.215 -6.814 5.362 1.00 0.23 N ATOM 1106 CA MET A 69 -8.876 -7.345 5.179 1.00 0.26 C ATOM 1107 C MET A 69 -8.202 -7.586 6.528 1.00 0.18 C ATOM 1108 O MET A 69 -7.336 -8.446 6.646 1.00 0.19 O ATOM 1109 CB MET A 69 -8.045 -6.392 4.318 1.00 0.42 C ATOM 1110 CG MET A 69 -8.403 -6.428 2.835 1.00 0.60 C ATOM 1111 SD MET A 69 -7.891 -4.939 1.962 1.00 2.21 S ATOM 1112 CE MET A 69 -6.210 -4.767 2.536 1.00 3.06 C ATOM 0 H MET A 69 -10.300 -5.817 5.164 1.00 0.23 H new ATOM 0 HA MET A 69 -8.948 -8.303 4.664 1.00 0.26 H new ATOM 0 HB2 MET A 69 -8.176 -5.375 4.689 1.00 0.42 H new ATOM 0 HB3 MET A 69 -6.990 -6.640 4.433 1.00 0.42 H new ATOM 0 HG2 MET A 69 -7.932 -7.296 2.373 1.00 0.60 H new ATOM 0 HG3 MET A 69 -9.480 -6.555 2.728 1.00 0.60 H new ATOM 0 HE1 MET A 69 -6.011 -3.721 2.771 1.00 3.06 H new ATOM 0 HE2 MET A 69 -6.067 -5.374 3.430 1.00 3.06 H new ATOM 0 HE3 MET A 69 -5.524 -5.101 1.758 1.00 3.06 H new ATOM 1122 N LYS A 70 -8.594 -6.835 7.552 1.00 0.19 N ATOM 1123 CA LYS A 70 -8.120 -7.119 8.895 1.00 0.20 C ATOM 1124 C LYS A 70 -9.013 -8.174 9.528 1.00 0.19 C ATOM 1125 O LYS A 70 -8.660 -8.789 10.526 1.00 0.23 O ATOM 1126 CB LYS A 70 -8.049 -5.875 9.784 1.00 0.27 C ATOM 1127 CG LYS A 70 -9.391 -5.397 10.286 1.00 0.34 C ATOM 1128 CD LYS A 70 -9.315 -4.934 11.735 1.00 0.40 C ATOM 1129 CE LYS A 70 -9.004 -6.092 12.672 1.00 0.47 C ATOM 1130 NZ LYS A 70 -8.913 -5.658 14.090 1.00 0.75 N ATOM 0 H LYS A 70 -9.228 -6.039 7.478 1.00 0.19 H new ATOM 0 HA LYS A 70 -7.098 -7.489 8.810 1.00 0.20 H new ATOM 0 HB2 LYS A 70 -7.409 -6.089 10.640 1.00 0.27 H new ATOM 0 HB3 LYS A 70 -7.574 -5.069 9.225 1.00 0.27 H new ATOM 0 HG2 LYS A 70 -9.744 -4.578 9.660 1.00 0.34 H new ATOM 0 HG3 LYS A 70 -10.121 -6.202 10.198 1.00 0.34 H new ATOM 0 HD2 LYS A 70 -8.546 -4.167 11.834 1.00 0.40 H new ATOM 0 HD3 LYS A 70 -10.261 -4.476 12.022 1.00 0.40 H new ATOM 0 HE2 LYS A 70 -9.778 -6.853 12.576 1.00 0.47 H new ATOM 0 HE3 LYS A 70 -8.063 -6.555 12.375 1.00 0.47 H new ATOM 0 HZ1 LYS A 70 -8.700 -6.479 14.691 1.00 0.75 H new ATOM 0 HZ2 LYS A 70 -8.157 -4.951 14.189 1.00 0.75 H new ATOM 0 HZ3 LYS A 70 -9.819 -5.240 14.384 1.00 0.75 H new ATOM 1144 N VAL A 71 -10.183 -8.366 8.953 1.00 0.19 N ATOM 1145 CA VAL A 71 -10.980 -9.534 9.274 1.00 0.23 C ATOM 1146 C VAL A 71 -10.352 -10.767 8.620 1.00 0.27 C ATOM 1147 O VAL A 71 -10.429 -11.881 9.137 1.00 0.32 O ATOM 1148 CB VAL A 71 -12.447 -9.348 8.812 1.00 0.25 C ATOM 1149 CG1 VAL A 71 -13.208 -10.664 8.821 1.00 0.32 C ATOM 1150 CG2 VAL A 71 -13.150 -8.330 9.695 1.00 0.25 C ATOM 0 H VAL A 71 -10.600 -7.736 8.268 1.00 0.19 H new ATOM 0 HA VAL A 71 -10.995 -9.671 10.355 1.00 0.23 H new ATOM 0 HB VAL A 71 -12.428 -8.982 7.786 1.00 0.25 H new ATOM 0 HG11 VAL A 71 -14.233 -10.494 8.491 1.00 0.32 H new ATOM 0 HG12 VAL A 71 -12.722 -11.370 8.147 1.00 0.32 H new ATOM 0 HG13 VAL A 71 -13.215 -11.073 9.831 1.00 0.32 H new ATOM 0 HG21 VAL A 71 -14.180 -8.208 9.360 1.00 0.25 H new ATOM 0 HG22 VAL A 71 -13.143 -8.678 10.728 1.00 0.25 H new ATOM 0 HG23 VAL A 71 -12.632 -7.373 9.631 1.00 0.25 H new ATOM 1160 N ILE A 72 -9.685 -10.535 7.499 1.00 0.25 N ATOM 1161 CA ILE A 72 -9.080 -11.607 6.725 1.00 0.30 C ATOM 1162 C ILE A 72 -7.630 -11.899 7.157 1.00 0.29 C ATOM 1163 O ILE A 72 -7.145 -13.017 6.985 1.00 0.40 O ATOM 1164 CB ILE A 72 -9.149 -11.270 5.207 1.00 0.34 C ATOM 1165 CG1 ILE A 72 -9.830 -12.404 4.444 1.00 0.59 C ATOM 1166 CG2 ILE A 72 -7.776 -10.971 4.618 1.00 0.33 C ATOM 1167 CD1 ILE A 72 -11.274 -12.612 4.840 1.00 1.11 C ATOM 0 H ILE A 72 -9.549 -9.605 7.103 1.00 0.25 H new ATOM 0 HA ILE A 72 -9.651 -12.515 6.918 1.00 0.30 H new ATOM 0 HB ILE A 72 -9.743 -10.362 5.101 1.00 0.34 H new ATOM 0 HG12 ILE A 72 -9.781 -12.194 3.376 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -9.278 -13.329 4.613 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -7.877 -10.742 3.557 1.00 0.33 H new ATOM 0 HG22 ILE A 72 -7.337 -10.117 5.133 1.00 0.33 H new ATOM 0 HG23 ILE A 72 -7.130 -11.840 4.741 1.00 0.33 H new ATOM 0 HD11 ILE A 72 -11.696 -13.432 4.259 1.00 1.11 H new ATOM 0 HD12 ILE A 72 -11.329 -12.853 5.902 1.00 1.11 H new ATOM 0 HD13 ILE A 72 -11.840 -11.701 4.645 1.00 1.11 H new ATOM 1179 N ASP A 73 -6.941 -10.903 7.718 1.00 0.21 N ATOM 1180 CA ASP A 73 -5.528 -11.067 8.088 1.00 0.21 C ATOM 1181 C ASP A 73 -5.171 -10.276 9.355 1.00 0.22 C ATOM 1182 O ASP A 73 -4.140 -10.522 9.979 1.00 0.26 O ATOM 1183 CB ASP A 73 -4.633 -10.621 6.926 1.00 0.23 C ATOM 1184 CG ASP A 73 -3.166 -10.945 7.150 1.00 0.30 C ATOM 1185 OD1 ASP A 73 -2.448 -10.119 7.750 1.00 0.29 O ATOM 1186 OD2 ASP A 73 -2.717 -12.027 6.715 1.00 0.48 O ATOM 0 H ASP A 73 -7.330 -9.983 7.925 1.00 0.21 H new ATOM 0 HA ASP A 73 -5.361 -12.123 8.301 1.00 0.21 H new ATOM 0 HB2 ASP A 73 -4.970 -11.104 6.009 1.00 0.23 H new ATOM 0 HB3 ASP A 73 -4.744 -9.547 6.780 1.00 0.23 H new ATOM 1191 N GLU A 74 -6.038 -9.333 9.718 1.00 0.22 N ATOM 1192 CA GLU A 74 -5.879 -8.477 10.912 1.00 0.35 C ATOM 1193 C GLU A 74 -4.868 -7.340 10.713 1.00 0.43 C ATOM 1194 O GLU A 74 -4.963 -6.311 11.381 1.00 0.98 O ATOM 1195 CB GLU A 74 -5.530 -9.298 12.156 1.00 0.44 C ATOM 1196 CG GLU A 74 -5.523 -8.473 13.427 1.00 0.62 C ATOM 1197 CD GLU A 74 -5.271 -9.304 14.661 1.00 0.80 C ATOM 1198 OE1 GLU A 74 -6.251 -9.832 15.227 1.00 1.00 O ATOM 1199 OE2 GLU A 74 -4.099 -9.428 15.072 1.00 0.92 O ATOM 0 H GLU A 74 -6.887 -9.132 9.189 1.00 0.22 H new ATOM 0 HA GLU A 74 -6.851 -8.010 11.068 1.00 0.35 H new ATOM 0 HB2 GLU A 74 -6.248 -10.111 12.261 1.00 0.44 H new ATOM 0 HB3 GLU A 74 -4.549 -9.754 12.020 1.00 0.44 H new ATOM 0 HG2 GLU A 74 -4.756 -7.702 13.350 1.00 0.62 H new ATOM 0 HG3 GLU A 74 -6.480 -7.961 13.528 1.00 0.62 H new ATOM 1206 N ASN A 75 -3.918 -7.516 9.806 1.00 0.18 N ATOM 1207 CA ASN A 75 -2.927 -6.483 9.495 1.00 0.22 C ATOM 1208 C ASN A 75 -2.067 -6.943 8.343 1.00 0.19 C ATOM 1209 O ASN A 75 -0.906 -7.319 8.504 1.00 0.24 O ATOM 1210 CB ASN A 75 -2.057 -6.092 10.702 1.00 0.31 C ATOM 1211 CG ASN A 75 -1.522 -7.276 11.488 1.00 0.35 C ATOM 1212 OD1 ASN A 75 -0.432 -7.784 11.218 1.00 0.41 O ATOM 1213 ND2 ASN A 75 -2.285 -7.709 12.477 1.00 0.37 N ATOM 0 H ASN A 75 -3.808 -8.373 9.264 1.00 0.18 H new ATOM 0 HA ASN A 75 -3.474 -5.582 9.216 1.00 0.22 H new ATOM 0 HB2 ASN A 75 -1.217 -5.492 10.352 1.00 0.31 H new ATOM 0 HB3 ASN A 75 -2.643 -5.461 11.370 1.00 0.31 H new ATOM 0 HD21 ASN A 75 -1.978 -8.494 13.052 1.00 0.37 H new ATOM 0 HD22 ASN A 75 -3.181 -7.258 12.665 1.00 0.37 H new ATOM 1220 N ILE A 76 -2.667 -6.904 7.174 1.00 0.21 N ATOM 1221 CA ILE A 76 -2.021 -7.325 5.944 1.00 0.23 C ATOM 1222 C ILE A 76 -1.153 -6.170 5.413 1.00 0.21 C ATOM 1223 O ILE A 76 -0.962 -5.979 4.216 1.00 0.27 O ATOM 1224 CB ILE A 76 -3.109 -7.810 4.942 1.00 0.30 C ATOM 1225 CG1 ILE A 76 -2.550 -8.802 3.899 1.00 0.49 C ATOM 1226 CG2 ILE A 76 -3.826 -6.644 4.280 1.00 0.35 C ATOM 1227 CD1 ILE A 76 -1.854 -8.180 2.708 1.00 0.83 C ATOM 0 H ILE A 76 -3.625 -6.577 7.046 1.00 0.21 H new ATOM 0 HA ILE A 76 -1.350 -8.168 6.108 1.00 0.23 H new ATOM 0 HB ILE A 76 -3.848 -8.357 5.528 1.00 0.30 H new ATOM 0 HG12 ILE A 76 -1.848 -9.469 4.399 1.00 0.49 H new ATOM 0 HG13 ILE A 76 -3.372 -9.419 3.535 1.00 0.49 H new ATOM 0 HG21 ILE A 76 -4.577 -7.024 3.588 1.00 0.35 H new ATOM 0 HG22 ILE A 76 -4.311 -6.034 5.043 1.00 0.35 H new ATOM 0 HG23 ILE A 76 -3.105 -6.036 3.734 1.00 0.35 H new ATOM 0 HD11 ILE A 76 -1.501 -8.967 2.041 1.00 0.83 H new ATOM 0 HD12 ILE A 76 -2.553 -7.537 2.173 1.00 0.83 H new ATOM 0 HD13 ILE A 76 -1.006 -7.588 3.051 1.00 0.83 H new ATOM 1239 N ARG A 77 -0.609 -5.407 6.364 1.00 0.20 N ATOM 1240 CA ARG A 77 0.332 -4.327 6.082 1.00 0.19 C ATOM 1241 C ARG A 77 -0.309 -3.265 5.195 1.00 0.16 C ATOM 1242 O ARG A 77 0.226 -2.923 4.143 1.00 0.16 O ATOM 1243 CB ARG A 77 1.583 -4.870 5.385 1.00 0.26 C ATOM 1244 CG ARG A 77 2.165 -6.135 5.996 1.00 0.31 C ATOM 1245 CD ARG A 77 2.751 -5.915 7.375 1.00 0.39 C ATOM 1246 NE ARG A 77 3.610 -7.033 7.761 1.00 0.74 N ATOM 1247 CZ ARG A 77 3.658 -7.566 8.977 1.00 1.32 C ATOM 1248 NH1 ARG A 77 2.868 -7.116 9.945 1.00 1.92 N ATOM 1249 NH2 ARG A 77 4.492 -8.568 9.214 1.00 1.62 N ATOM 0 H ARG A 77 -0.812 -5.524 7.357 1.00 0.20 H new ATOM 0 HA ARG A 77 0.612 -3.878 7.035 1.00 0.19 H new ATOM 0 HB2 ARG A 77 1.341 -5.068 4.341 1.00 0.26 H new ATOM 0 HB3 ARG A 77 2.350 -4.095 5.393 1.00 0.26 H new ATOM 0 HG2 ARG A 77 1.385 -6.894 6.056 1.00 0.31 H new ATOM 0 HG3 ARG A 77 2.940 -6.526 5.337 1.00 0.31 H new ATOM 0 HD2 ARG A 77 3.325 -4.989 7.387 1.00 0.39 H new ATOM 0 HD3 ARG A 77 1.947 -5.801 8.102 1.00 0.39 H new ATOM 0 HE ARG A 77 4.216 -7.433 7.045 1.00 0.74 H new ATOM 0 HH11 ARG A 77 2.216 -6.354 9.758 1.00 1.92 H new ATOM 0 HH12 ARG A 77 2.913 -7.532 10.875 1.00 1.92 H new ATOM 0 HH21 ARG A 77 5.089 -8.922 8.467 1.00 1.62 H new ATOM 0 HH22 ARG A 77 4.537 -8.985 10.144 1.00 1.62 H new ATOM 1263 N VAL A 78 -1.455 -2.750 5.608 1.00 0.17 N ATOM 1264 CA VAL A 78 -2.160 -1.764 4.801 1.00 0.17 C ATOM 1265 C VAL A 78 -1.586 -0.345 4.979 1.00 0.16 C ATOM 1266 O VAL A 78 -1.087 0.017 6.045 1.00 0.23 O ATOM 1267 CB VAL A 78 -3.673 -1.767 5.113 1.00 0.18 C ATOM 1268 CG1 VAL A 78 -4.422 -0.798 4.215 1.00 0.40 C ATOM 1269 CG2 VAL A 78 -4.244 -3.168 4.976 1.00 0.35 C ATOM 0 H VAL A 78 -1.914 -2.993 6.486 1.00 0.17 H new ATOM 0 HA VAL A 78 -2.013 -2.053 3.760 1.00 0.17 H new ATOM 0 HB VAL A 78 -3.802 -1.438 6.144 1.00 0.18 H new ATOM 0 HG11 VAL A 78 -5.484 -0.823 4.459 1.00 0.40 H new ATOM 0 HG12 VAL A 78 -4.038 0.211 4.368 1.00 0.40 H new ATOM 0 HG13 VAL A 78 -4.282 -1.085 3.173 1.00 0.40 H new ATOM 0 HG21 VAL A 78 -5.311 -3.150 5.200 1.00 0.35 H new ATOM 0 HG22 VAL A 78 -4.093 -3.524 3.957 1.00 0.35 H new ATOM 0 HG23 VAL A 78 -3.739 -3.837 5.673 1.00 0.35 H new ATOM 1279 N ILE A 79 -1.620 0.415 3.888 1.00 0.13 N ATOM 1280 CA ILE A 79 -1.269 1.826 3.881 1.00 0.14 C ATOM 1281 C ILE A 79 -2.340 2.615 3.134 1.00 0.12 C ATOM 1282 O ILE A 79 -2.483 2.491 1.923 1.00 0.18 O ATOM 1283 CB ILE A 79 0.104 2.095 3.216 1.00 0.19 C ATOM 1284 CG1 ILE A 79 1.252 1.495 4.023 1.00 0.27 C ATOM 1285 CG2 ILE A 79 0.329 3.580 3.012 1.00 0.24 C ATOM 1286 CD1 ILE A 79 1.508 0.038 3.726 1.00 0.45 C ATOM 0 H ILE A 79 -1.896 0.060 2.973 1.00 0.13 H new ATOM 0 HA ILE A 79 -1.204 2.144 4.921 1.00 0.14 H new ATOM 0 HB ILE A 79 0.087 1.606 2.242 1.00 0.19 H new ATOM 0 HG12 ILE A 79 2.161 2.062 3.822 1.00 0.27 H new ATOM 0 HG13 ILE A 79 1.035 1.607 5.085 1.00 0.27 H new ATOM 0 HG21 ILE A 79 1.300 3.740 2.544 1.00 0.24 H new ATOM 0 HG22 ILE A 79 -0.454 3.982 2.369 1.00 0.24 H new ATOM 0 HG23 ILE A 79 0.303 4.088 3.976 1.00 0.24 H new ATOM 0 HD11 ILE A 79 2.338 -0.318 4.337 1.00 0.45 H new ATOM 0 HD12 ILE A 79 0.614 -0.542 3.954 1.00 0.45 H new ATOM 0 HD13 ILE A 79 1.758 -0.080 2.672 1.00 0.45 H new ATOM 1298 N ILE A 80 -3.105 3.411 3.854 1.00 0.13 N ATOM 1299 CA ILE A 80 -4.163 4.197 3.234 1.00 0.15 C ATOM 1300 C ILE A 80 -3.680 5.601 2.878 1.00 0.16 C ATOM 1301 O ILE A 80 -3.144 6.325 3.717 1.00 0.17 O ATOM 1302 CB ILE A 80 -5.422 4.266 4.123 1.00 0.16 C ATOM 1303 CG1 ILE A 80 -6.238 5.534 3.819 1.00 0.18 C ATOM 1304 CG2 ILE A 80 -5.041 4.187 5.597 1.00 0.17 C ATOM 1305 CD1 ILE A 80 -7.351 5.793 4.803 1.00 0.22 C ATOM 0 H ILE A 80 -3.018 3.533 4.863 1.00 0.13 H new ATOM 0 HA ILE A 80 -4.435 3.687 2.310 1.00 0.15 H new ATOM 0 HB ILE A 80 -6.054 3.407 3.895 1.00 0.16 H new ATOM 0 HG12 ILE A 80 -5.567 6.393 3.810 1.00 0.18 H new ATOM 0 HG13 ILE A 80 -6.662 5.450 2.819 1.00 0.18 H new ATOM 0 HG21 ILE A 80 -5.942 4.237 6.209 1.00 0.17 H new ATOM 0 HG22 ILE A 80 -4.524 3.247 5.789 1.00 0.17 H new ATOM 0 HG23 ILE A 80 -4.385 5.020 5.848 1.00 0.17 H new ATOM 0 HD11 ILE A 80 -7.880 6.704 4.522 1.00 0.22 H new ATOM 0 HD12 ILE A 80 -8.045 4.953 4.796 1.00 0.22 H new ATOM 0 HD13 ILE A 80 -6.933 5.910 5.803 1.00 0.22 H new ATOM 1317 N MET A 81 -3.873 5.966 1.621 1.00 0.21 N ATOM 1318 CA MET A 81 -3.450 7.255 1.099 1.00 0.23 C ATOM 1319 C MET A 81 -4.546 8.299 1.299 1.00 0.20 C ATOM 1320 O MET A 81 -5.724 8.011 1.107 1.00 0.23 O ATOM 1321 CB MET A 81 -3.126 7.110 -0.386 1.00 0.32 C ATOM 1322 CG MET A 81 -2.188 5.952 -0.684 1.00 0.38 C ATOM 1323 SD MET A 81 -2.058 5.578 -2.445 1.00 0.63 S ATOM 1324 CE MET A 81 -1.623 7.182 -3.105 1.00 1.09 C ATOM 0 H MET A 81 -4.331 5.372 0.930 1.00 0.21 H new ATOM 0 HA MET A 81 -2.562 7.587 1.637 1.00 0.23 H new ATOM 0 HB2 MET A 81 -4.053 6.970 -0.942 1.00 0.32 H new ATOM 0 HB3 MET A 81 -2.676 8.035 -0.745 1.00 0.32 H new ATOM 0 HG2 MET A 81 -1.197 6.186 -0.295 1.00 0.38 H new ATOM 0 HG3 MET A 81 -2.537 5.065 -0.155 1.00 0.38 H new ATOM 0 HE1 MET A 81 -1.218 7.064 -4.110 1.00 1.09 H new ATOM 0 HE2 MET A 81 -2.511 7.813 -3.143 1.00 1.09 H new ATOM 0 HE3 MET A 81 -0.874 7.648 -2.464 1.00 1.09 H new ATOM 1334 N THR A 82 -4.155 9.497 1.714 1.00 0.20 N ATOM 1335 CA THR A 82 -5.103 10.585 1.945 1.00 0.20 C ATOM 1336 C THR A 82 -4.653 11.847 1.227 1.00 0.19 C ATOM 1337 O THR A 82 -3.623 11.845 0.570 1.00 0.20 O ATOM 1338 CB THR A 82 -5.245 10.877 3.441 1.00 0.29 C ATOM 1339 OG1 THR A 82 -3.996 11.334 3.975 1.00 0.82 O ATOM 1340 CG2 THR A 82 -5.697 9.643 4.203 1.00 0.53 C ATOM 0 H THR A 82 -3.183 9.743 1.899 1.00 0.20 H new ATOM 0 HA THR A 82 -6.070 10.271 1.551 1.00 0.20 H new ATOM 0 HB THR A 82 -6.001 11.653 3.558 1.00 0.29 H new ATOM 0 HG1 THR A 82 -3.855 10.940 4.861 1.00 0.82 H new ATOM 0 HG21 THR A 82 -5.788 9.883 5.262 1.00 0.53 H new ATOM 0 HG22 THR A 82 -6.663 9.313 3.821 1.00 0.53 H new ATOM 0 HG23 THR A 82 -4.964 8.847 4.073 1.00 0.53 H new ATOM 1348 N ALA A 83 -5.412 12.930 1.358 1.00 0.25 N ATOM 1349 CA ALA A 83 -5.035 14.211 0.756 1.00 0.25 C ATOM 1350 C ALA A 83 -3.889 14.869 1.530 1.00 0.28 C ATOM 1351 O ALA A 83 -3.868 16.083 1.713 1.00 0.55 O ATOM 1352 CB ALA A 83 -6.242 15.134 0.702 1.00 0.31 C ATOM 0 H ALA A 83 -6.291 12.950 1.874 1.00 0.25 H new ATOM 0 HA ALA A 83 -4.686 14.024 -0.259 1.00 0.25 H new ATOM 0 HB1 ALA A 83 -5.953 16.084 0.253 1.00 0.31 H new ATOM 0 HB2 ALA A 83 -7.026 14.673 0.102 1.00 0.31 H new ATOM 0 HB3 ALA A 83 -6.613 15.308 1.712 1.00 0.31 H new ATOM 1358 N TYR A 84 -2.929 14.041 1.950 1.00 0.45 N ATOM 1359 CA TYR A 84 -1.793 14.436 2.793 1.00 0.45 C ATOM 1360 C TYR A 84 -2.221 14.908 4.185 1.00 0.61 C ATOM 1361 O TYR A 84 -1.564 14.601 5.179 1.00 1.31 O ATOM 1362 CB TYR A 84 -0.930 15.485 2.086 1.00 0.47 C ATOM 1363 CG TYR A 84 0.270 15.941 2.886 1.00 0.94 C ATOM 1364 CD1 TYR A 84 1.449 15.209 2.882 1.00 1.82 C ATOM 1365 CD2 TYR A 84 0.221 17.103 3.645 1.00 0.98 C ATOM 1366 CE1 TYR A 84 2.546 15.622 3.614 1.00 2.58 C ATOM 1367 CE2 TYR A 84 1.312 17.522 4.380 1.00 1.61 C ATOM 1368 CZ TYR A 84 2.472 16.779 4.361 1.00 2.42 C ATOM 1369 OH TYR A 84 3.562 17.194 5.099 1.00 3.19 O ATOM 0 H TYR A 84 -2.918 13.050 1.708 1.00 0.45 H new ATOM 0 HA TYR A 84 -1.189 13.542 2.949 1.00 0.45 H new ATOM 0 HB2 TYR A 84 -0.585 15.076 1.136 1.00 0.47 H new ATOM 0 HB3 TYR A 84 -1.549 16.352 1.854 1.00 0.47 H new ATOM 0 HD1 TYR A 84 1.510 14.303 2.298 1.00 1.82 H new ATOM 0 HD2 TYR A 84 -0.686 17.689 3.661 1.00 0.98 H new ATOM 0 HE1 TYR A 84 3.457 15.042 3.601 1.00 2.58 H new ATOM 0 HE2 TYR A 84 1.256 18.427 4.967 1.00 1.61 H new ATOM 0 HH TYR A 84 3.343 18.027 5.566 1.00 3.19 H new ATOM 1379 N GLY A 85 -3.331 15.608 4.251 1.00 0.56 N ATOM 1380 CA GLY A 85 -3.791 16.164 5.505 1.00 0.62 C ATOM 1381 C GLY A 85 -5.286 16.023 5.669 1.00 0.62 C ATOM 1382 O GLY A 85 -5.915 16.792 6.393 1.00 0.75 O ATOM 0 H GLY A 85 -3.933 15.806 3.451 1.00 0.56 H new ATOM 0 HA2 GLY A 85 -3.286 15.663 6.331 1.00 0.62 H new ATOM 0 HA3 GLY A 85 -3.518 17.218 5.557 1.00 0.62 H new ATOM 1386 N GLU A 86 -5.858 15.045 4.983 1.00 0.51 N ATOM 1387 CA GLU A 86 -7.281 14.773 5.094 1.00 0.53 C ATOM 1388 C GLU A 86 -7.531 13.803 6.246 1.00 0.51 C ATOM 1389 O GLU A 86 -8.003 14.201 7.308 1.00 0.59 O ATOM 1390 CB GLU A 86 -7.810 14.204 3.784 1.00 0.51 C ATOM 1391 CG GLU A 86 -9.322 14.116 3.720 1.00 0.59 C ATOM 1392 CD GLU A 86 -9.792 13.677 2.356 1.00 0.62 C ATOM 1393 OE1 GLU A 86 -9.162 12.776 1.784 1.00 1.12 O ATOM 1394 OE2 GLU A 86 -10.763 14.259 1.831 1.00 0.95 O ATOM 0 H GLU A 86 -5.358 14.427 4.344 1.00 0.51 H new ATOM 0 HA GLU A 86 -7.811 15.703 5.300 1.00 0.53 H new ATOM 0 HB2 GLU A 86 -7.457 14.824 2.960 1.00 0.51 H new ATOM 0 HB3 GLU A 86 -7.391 13.209 3.636 1.00 0.51 H new ATOM 0 HG2 GLU A 86 -9.679 13.413 4.473 1.00 0.59 H new ATOM 0 HG3 GLU A 86 -9.755 15.087 3.960 1.00 0.59 H new ATOM 1401 N LEU A 87 -7.200 12.529 6.017 1.00 0.42 N ATOM 1402 CA LEU A 87 -7.226 11.500 7.063 1.00 0.42 C ATOM 1403 C LEU A 87 -8.584 11.410 7.756 1.00 0.49 C ATOM 1404 O LEU A 87 -8.664 11.065 8.931 1.00 0.63 O ATOM 1405 CB LEU A 87 -6.131 11.767 8.113 1.00 0.45 C ATOM 1406 CG LEU A 87 -4.680 11.602 7.638 1.00 0.45 C ATOM 1407 CD1 LEU A 87 -4.221 12.805 6.835 1.00 0.47 C ATOM 1408 CD2 LEU A 87 -3.759 11.380 8.828 1.00 0.52 C ATOM 0 H LEU A 87 -6.907 12.181 5.104 1.00 0.42 H new ATOM 0 HA LEU A 87 -7.038 10.547 6.569 1.00 0.42 H new ATOM 0 HB2 LEU A 87 -6.255 12.783 8.487 1.00 0.45 H new ATOM 0 HB3 LEU A 87 -6.294 11.095 8.956 1.00 0.45 H new ATOM 0 HG LEU A 87 -4.637 10.729 6.987 1.00 0.45 H new ATOM 0 HD11 LEU A 87 -3.190 12.656 6.514 1.00 0.47 H new ATOM 0 HD12 LEU A 87 -4.860 12.924 5.960 1.00 0.47 H new ATOM 0 HD13 LEU A 87 -4.283 13.700 7.454 1.00 0.47 H new ATOM 0 HD21 LEU A 87 -2.733 11.264 8.478 1.00 0.52 H new ATOM 0 HD22 LEU A 87 -3.819 12.237 9.499 1.00 0.52 H new ATOM 0 HD23 LEU A 87 -4.064 10.479 9.361 1.00 0.52 H new ATOM 1420 N ASP A 88 -9.647 11.666 7.012 1.00 0.60 N ATOM 1421 CA ASP A 88 -10.994 11.700 7.584 1.00 0.71 C ATOM 1422 C ASP A 88 -11.415 10.336 8.124 1.00 0.77 C ATOM 1423 O ASP A 88 -11.977 10.234 9.212 1.00 1.71 O ATOM 1424 CB ASP A 88 -12.007 12.188 6.552 1.00 0.91 C ATOM 1425 CG ASP A 88 -13.409 12.277 7.124 1.00 1.10 C ATOM 1426 OD1 ASP A 88 -13.605 13.043 8.093 1.00 1.18 O ATOM 1427 OD2 ASP A 88 -14.318 11.595 6.599 1.00 1.52 O ATOM 0 H ASP A 88 -9.609 11.854 6.010 1.00 0.60 H new ATOM 0 HA ASP A 88 -10.971 12.400 8.419 1.00 0.71 H new ATOM 0 HB2 ASP A 88 -11.704 13.168 6.183 1.00 0.91 H new ATOM 0 HB3 ASP A 88 -12.007 11.512 5.697 1.00 0.91 H new ATOM 1432 N MET A 89 -11.124 9.290 7.366 1.00 0.63 N ATOM 1433 CA MET A 89 -11.494 7.930 7.752 1.00 0.55 C ATOM 1434 C MET A 89 -10.248 7.168 8.207 1.00 0.45 C ATOM 1435 O MET A 89 -10.258 5.941 8.376 1.00 0.47 O ATOM 1436 CB MET A 89 -12.129 7.225 6.554 1.00 0.73 C ATOM 1437 CG MET A 89 -13.186 6.201 6.920 1.00 0.82 C ATOM 1438 SD MET A 89 -14.748 6.962 7.402 1.00 1.55 S ATOM 1439 CE MET A 89 -15.830 5.534 7.355 1.00 2.18 C ATOM 0 H MET A 89 -10.631 9.354 6.476 1.00 0.63 H new ATOM 0 HA MET A 89 -12.209 7.962 8.574 1.00 0.55 H new ATOM 0 HB2 MET A 89 -12.577 7.975 5.902 1.00 0.73 H new ATOM 0 HB3 MET A 89 -11.345 6.731 5.980 1.00 0.73 H new ATOM 0 HG2 MET A 89 -13.355 5.539 6.071 1.00 0.82 H new ATOM 0 HG3 MET A 89 -12.819 5.582 7.739 1.00 0.82 H new ATOM 0 HE1 MET A 89 -16.658 5.727 6.672 1.00 2.18 H new ATOM 0 HE2 MET A 89 -15.270 4.665 7.010 1.00 2.18 H new ATOM 0 HE3 MET A 89 -16.221 5.341 8.354 1.00 2.18 H new ATOM 1449 N ILE A 90 -9.188 7.928 8.430 1.00 0.37 N ATOM 1450 CA ILE A 90 -7.859 7.383 8.649 1.00 0.31 C ATOM 1451 C ILE A 90 -7.745 6.552 9.919 1.00 0.27 C ATOM 1452 O ILE A 90 -7.085 5.514 9.925 1.00 0.27 O ATOM 1453 CB ILE A 90 -6.812 8.520 8.662 1.00 0.31 C ATOM 1454 CG1 ILE A 90 -5.920 8.389 7.442 1.00 0.38 C ATOM 1455 CG2 ILE A 90 -5.990 8.551 9.950 1.00 0.29 C ATOM 1456 CD1 ILE A 90 -5.144 7.096 7.386 1.00 0.42 C ATOM 0 H ILE A 90 -9.226 8.947 8.464 1.00 0.37 H new ATOM 0 HA ILE A 90 -7.664 6.705 7.818 1.00 0.31 H new ATOM 0 HB ILE A 90 -7.344 9.471 8.626 1.00 0.31 H new ATOM 0 HG12 ILE A 90 -6.534 8.472 6.545 1.00 0.38 H new ATOM 0 HG13 ILE A 90 -5.218 9.223 7.426 1.00 0.38 H new ATOM 0 HG21 ILE A 90 -5.271 9.369 9.903 1.00 0.29 H new ATOM 0 HG22 ILE A 90 -6.654 8.699 10.802 1.00 0.29 H new ATOM 0 HG23 ILE A 90 -5.458 7.607 10.065 1.00 0.29 H new ATOM 0 HD11 ILE A 90 -4.531 7.079 6.485 1.00 0.42 H new ATOM 0 HD12 ILE A 90 -4.502 7.019 8.264 1.00 0.42 H new ATOM 0 HD13 ILE A 90 -5.838 6.256 7.369 1.00 0.42 H new ATOM 1468 N GLN A 91 -8.385 6.995 10.976 1.00 0.29 N ATOM 1469 CA GLN A 91 -8.188 6.379 12.281 1.00 0.31 C ATOM 1470 C GLN A 91 -8.654 4.930 12.280 1.00 0.31 C ATOM 1471 O GLN A 91 -7.906 4.030 12.671 1.00 0.32 O ATOM 1472 CB GLN A 91 -8.885 7.189 13.364 1.00 0.39 C ATOM 1473 CG GLN A 91 -8.272 8.567 13.545 1.00 0.45 C ATOM 1474 CD GLN A 91 -8.985 9.396 14.594 1.00 1.35 C ATOM 1475 OE1 GLN A 91 -8.376 10.233 15.260 1.00 2.14 O ATOM 1476 NE2 GLN A 91 -10.281 9.178 14.747 1.00 2.10 N ATOM 0 H GLN A 91 -9.044 7.774 10.966 1.00 0.29 H new ATOM 0 HA GLN A 91 -7.120 6.375 12.500 1.00 0.31 H new ATOM 0 HB2 GLN A 91 -9.940 7.295 13.112 1.00 0.39 H new ATOM 0 HB3 GLN A 91 -8.836 6.646 14.308 1.00 0.39 H new ATOM 0 HG2 GLN A 91 -7.224 8.459 13.825 1.00 0.45 H new ATOM 0 HG3 GLN A 91 -8.295 9.097 12.593 1.00 0.45 H new ATOM 0 HE21 GLN A 91 -10.751 8.475 14.176 1.00 2.10 H new ATOM 0 HE22 GLN A 91 -10.810 9.713 15.436 1.00 2.10 H new ATOM 1485 N GLU A 92 -9.865 4.697 11.807 1.00 0.38 N ATOM 1486 CA GLU A 92 -10.365 3.340 11.685 1.00 0.42 C ATOM 1487 C GLU A 92 -9.554 2.549 10.674 1.00 0.34 C ATOM 1488 O GLU A 92 -9.143 1.430 10.952 1.00 0.33 O ATOM 1489 CB GLU A 92 -11.839 3.327 11.316 1.00 0.55 C ATOM 1490 CG GLU A 92 -12.276 4.477 10.427 1.00 0.64 C ATOM 1491 CD GLU A 92 -13.769 4.684 10.481 1.00 1.21 C ATOM 1492 OE1 GLU A 92 -14.501 3.967 9.771 1.00 1.73 O ATOM 1493 OE2 GLU A 92 -14.221 5.551 11.261 1.00 1.52 O ATOM 0 H GLU A 92 -10.515 5.422 11.504 1.00 0.38 H new ATOM 0 HA GLU A 92 -10.257 2.861 12.658 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -12.066 2.388 10.811 1.00 0.55 H new ATOM 0 HB3 GLU A 92 -12.430 3.348 12.232 1.00 0.55 H new ATOM 0 HG2 GLU A 92 -11.770 5.391 10.738 1.00 0.64 H new ATOM 0 HG3 GLU A 92 -11.972 4.279 9.399 1.00 0.64 H new ATOM 1500 N SER A 93 -9.303 3.133 9.514 1.00 0.32 N ATOM 1501 CA SER A 93 -8.532 2.447 8.485 1.00 0.27 C ATOM 1502 C SER A 93 -7.137 2.033 8.983 1.00 0.21 C ATOM 1503 O SER A 93 -6.651 0.961 8.632 1.00 0.22 O ATOM 1504 CB SER A 93 -8.418 3.319 7.232 1.00 0.33 C ATOM 1505 OG SER A 93 -7.849 4.576 7.533 1.00 0.98 O ATOM 0 H SER A 93 -9.617 4.070 9.261 1.00 0.32 H new ATOM 0 HA SER A 93 -9.069 1.532 8.234 1.00 0.27 H new ATOM 0 HB2 SER A 93 -7.807 2.810 6.486 1.00 0.33 H new ATOM 0 HB3 SER A 93 -9.406 3.460 6.793 1.00 0.33 H new ATOM 0 HG SER A 93 -7.544 4.582 8.464 1.00 0.98 H new ATOM 1511 N LYS A 94 -6.505 2.862 9.822 1.00 0.21 N ATOM 1512 CA LYS A 94 -5.150 2.566 10.286 1.00 0.21 C ATOM 1513 C LYS A 94 -5.160 1.512 11.389 1.00 0.25 C ATOM 1514 O LYS A 94 -4.230 0.718 11.495 1.00 0.31 O ATOM 1515 CB LYS A 94 -4.415 3.822 10.768 1.00 0.23 C ATOM 1516 CG LYS A 94 -4.965 4.409 12.053 1.00 0.30 C ATOM 1517 CD LYS A 94 -4.074 5.517 12.597 1.00 0.43 C ATOM 1518 CE LYS A 94 -2.692 4.993 12.966 1.00 0.65 C ATOM 1519 NZ LYS A 94 -1.838 6.042 13.587 1.00 1.25 N ATOM 0 H LYS A 94 -6.903 3.727 10.187 1.00 0.21 H new ATOM 0 HA LYS A 94 -4.609 2.171 9.426 1.00 0.21 H new ATOM 0 HB2 LYS A 94 -3.362 3.580 10.914 1.00 0.23 H new ATOM 0 HB3 LYS A 94 -4.463 4.580 9.986 1.00 0.23 H new ATOM 0 HG2 LYS A 94 -5.965 4.803 11.873 1.00 0.30 H new ATOM 0 HG3 LYS A 94 -5.062 3.621 12.800 1.00 0.30 H new ATOM 0 HD2 LYS A 94 -3.978 6.306 11.852 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -4.541 5.963 13.475 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -2.796 4.156 13.657 1.00 0.65 H new ATOM 0 HE3 LYS A 94 -2.200 4.610 12.072 1.00 0.65 H new ATOM 0 HZ1 LYS A 94 -0.908 5.639 13.821 1.00 1.25 H new ATOM 0 HZ2 LYS A 94 -1.716 6.830 12.920 1.00 1.25 H new ATOM 0 HZ3 LYS A 94 -2.292 6.391 14.455 1.00 1.25 H new ATOM 1533 N GLU A 95 -6.201 1.499 12.216 1.00 0.30 N ATOM 1534 CA GLU A 95 -6.310 0.470 13.250 1.00 0.44 C ATOM 1535 C GLU A 95 -6.863 -0.821 12.656 1.00 0.51 C ATOM 1536 O GLU A 95 -6.928 -1.855 13.322 1.00 0.66 O ATOM 1537 CB GLU A 95 -7.191 0.935 14.414 1.00 0.49 C ATOM 1538 CG GLU A 95 -8.623 1.263 14.021 1.00 0.44 C ATOM 1539 CD GLU A 95 -9.527 1.462 15.216 1.00 0.59 C ATOM 1540 OE1 GLU A 95 -9.620 2.602 15.720 1.00 0.85 O ATOM 1541 OE2 GLU A 95 -10.147 0.475 15.664 1.00 0.67 O ATOM 0 H GLU A 95 -6.967 2.172 12.195 1.00 0.30 H new ATOM 0 HA GLU A 95 -5.309 0.284 13.640 1.00 0.44 H new ATOM 0 HB2 GLU A 95 -7.205 0.157 15.177 1.00 0.49 H new ATOM 0 HB3 GLU A 95 -6.739 1.818 14.867 1.00 0.49 H new ATOM 0 HG2 GLU A 95 -8.630 2.167 13.411 1.00 0.44 H new ATOM 0 HG3 GLU A 95 -9.019 0.458 13.402 1.00 0.44 H new ATOM 1548 N LEU A 96 -7.241 -0.753 11.389 1.00 0.51 N ATOM 1549 CA LEU A 96 -7.865 -1.867 10.703 1.00 0.64 C ATOM 1550 C LEU A 96 -6.881 -2.587 9.787 1.00 0.93 C ATOM 1551 O LEU A 96 -7.066 -2.639 8.574 1.00 1.73 O ATOM 1552 CB LEU A 96 -9.065 -1.367 9.904 1.00 0.53 C ATOM 1553 CG LEU A 96 -10.441 -1.659 10.518 1.00 0.41 C ATOM 1554 CD1 LEU A 96 -10.427 -1.429 12.021 1.00 0.40 C ATOM 1555 CD2 LEU A 96 -11.506 -0.788 9.878 1.00 0.40 C ATOM 0 H LEU A 96 -7.122 0.078 10.809 1.00 0.51 H new ATOM 0 HA LEU A 96 -8.198 -2.585 11.452 1.00 0.64 H new ATOM 0 HB2 LEU A 96 -8.967 -0.289 9.773 1.00 0.53 H new ATOM 0 HB3 LEU A 96 -9.029 -1.814 8.910 1.00 0.53 H new ATOM 0 HG LEU A 96 -10.674 -2.707 10.327 1.00 0.41 H new ATOM 0 HD11 LEU A 96 -11.414 -1.643 12.431 1.00 0.40 H new ATOM 0 HD12 LEU A 96 -9.692 -2.088 12.483 1.00 0.40 H new ATOM 0 HD13 LEU A 96 -10.165 -0.391 12.228 1.00 0.40 H new ATOM 0 HD21 LEU A 96 -12.475 -1.009 10.326 1.00 0.40 H new ATOM 0 HD22 LEU A 96 -11.263 0.262 10.040 1.00 0.40 H new ATOM 0 HD23 LEU A 96 -11.547 -0.990 8.808 1.00 0.40 H new ATOM 1567 N GLY A 97 -5.820 -3.123 10.374 1.00 0.54 N ATOM 1568 CA GLY A 97 -4.901 -3.966 9.625 1.00 0.69 C ATOM 1569 C GLY A 97 -3.845 -3.191 8.875 1.00 0.61 C ATOM 1570 O GLY A 97 -2.869 -3.759 8.375 1.00 0.88 O ATOM 0 H GLY A 97 -5.576 -2.991 11.356 1.00 0.54 H new ATOM 0 HA2 GLY A 97 -4.413 -4.657 10.312 1.00 0.69 H new ATOM 0 HA3 GLY A 97 -5.469 -4.569 8.917 1.00 0.69 H new ATOM 1574 N ALA A 98 -4.048 -1.906 8.766 1.00 0.32 N ATOM 1575 CA ALA A 98 -3.070 -1.040 8.137 1.00 0.27 C ATOM 1576 C ALA A 98 -1.866 -0.831 9.044 1.00 0.19 C ATOM 1577 O ALA A 98 -2.013 -0.568 10.236 1.00 0.22 O ATOM 1578 CB ALA A 98 -3.700 0.288 7.763 1.00 0.26 C ATOM 0 H ALA A 98 -4.883 -1.428 9.104 1.00 0.32 H new ATOM 0 HA ALA A 98 -2.722 -1.524 7.225 1.00 0.27 H new ATOM 0 HB1 ALA A 98 -2.952 0.926 7.292 1.00 0.26 H new ATOM 0 HB2 ALA A 98 -4.522 0.118 7.067 1.00 0.26 H new ATOM 0 HB3 ALA A 98 -4.080 0.776 8.661 1.00 0.26 H new ATOM 1584 N LEU A 99 -0.674 -0.973 8.481 1.00 0.18 N ATOM 1585 CA LEU A 99 0.537 -0.693 9.228 1.00 0.23 C ATOM 1586 C LEU A 99 0.795 0.814 9.271 1.00 0.26 C ATOM 1587 O LEU A 99 1.491 1.301 10.166 1.00 0.39 O ATOM 1588 CB LEU A 99 1.754 -1.485 8.684 1.00 0.51 C ATOM 1589 CG LEU A 99 2.145 -1.293 7.212 1.00 0.60 C ATOM 1590 CD1 LEU A 99 2.714 0.086 6.959 1.00 1.27 C ATOM 1591 CD2 LEU A 99 3.171 -2.336 6.813 1.00 1.26 C ATOM 0 H LEU A 99 -0.523 -1.277 7.519 1.00 0.18 H new ATOM 0 HA LEU A 99 0.392 -1.037 10.252 1.00 0.23 H new ATOM 0 HB2 LEU A 99 2.619 -1.227 9.295 1.00 0.51 H new ATOM 0 HB3 LEU A 99 1.558 -2.546 8.841 1.00 0.51 H new ATOM 0 HG LEU A 99 1.241 -1.405 6.613 1.00 0.60 H new ATOM 0 HD11 LEU A 99 2.979 0.183 5.906 1.00 1.27 H new ATOM 0 HD12 LEU A 99 1.970 0.840 7.217 1.00 1.27 H new ATOM 0 HD13 LEU A 99 3.604 0.230 7.572 1.00 1.27 H new ATOM 0 HD21 LEU A 99 3.445 -2.195 5.767 1.00 1.26 H new ATOM 0 HD22 LEU A 99 4.058 -2.232 7.438 1.00 1.26 H new ATOM 0 HD23 LEU A 99 2.748 -3.332 6.946 1.00 1.26 H new ATOM 1603 N THR A 100 0.223 1.556 8.311 1.00 0.23 N ATOM 1604 CA THR A 100 0.322 3.016 8.331 1.00 0.28 C ATOM 1605 C THR A 100 -0.513 3.645 7.214 1.00 0.24 C ATOM 1606 O THR A 100 -1.324 2.978 6.574 1.00 0.25 O ATOM 1607 CB THR A 100 1.798 3.506 8.230 1.00 0.36 C ATOM 1608 OG1 THR A 100 1.893 4.881 8.635 1.00 0.42 O ATOM 1609 CG2 THR A 100 2.347 3.366 6.815 1.00 0.34 C ATOM 0 H THR A 100 -0.304 1.174 7.525 1.00 0.23 H new ATOM 0 HA THR A 100 -0.075 3.340 9.293 1.00 0.28 H new ATOM 0 HB THR A 100 2.392 2.878 8.893 1.00 0.36 H new ATOM 0 HG1 THR A 100 2.825 5.178 8.569 1.00 0.42 H new ATOM 0 HG21 THR A 100 3.378 3.719 6.788 1.00 0.34 H new ATOM 0 HG22 THR A 100 2.314 2.319 6.514 1.00 0.34 H new ATOM 0 HG23 THR A 100 1.742 3.960 6.130 1.00 0.34 H new ATOM 1617 N HIS A 101 -0.319 4.937 7.008 1.00 0.29 N ATOM 1618 CA HIS A 101 -1.019 5.676 5.972 1.00 0.28 C ATOM 1619 C HIS A 101 -0.026 6.361 5.038 1.00 0.27 C ATOM 1620 O HIS A 101 1.166 6.435 5.328 1.00 0.35 O ATOM 1621 CB HIS A 101 -1.941 6.734 6.592 1.00 0.32 C ATOM 1622 CG HIS A 101 -1.220 7.931 7.152 1.00 0.42 C ATOM 1623 ND1 HIS A 101 -1.074 9.115 6.460 1.00 1.12 N ATOM 1624 CD2 HIS A 101 -0.602 8.117 8.340 1.00 1.14 C ATOM 1625 CE1 HIS A 101 -0.400 9.974 7.200 1.00 0.93 C ATOM 1626 NE2 HIS A 101 -0.099 9.394 8.346 1.00 0.92 N ATOM 0 H HIS A 101 0.329 5.503 7.555 1.00 0.29 H new ATOM 0 HA HIS A 101 -1.619 4.966 5.402 1.00 0.28 H new ATOM 0 HB2 HIS A 101 -2.648 7.072 5.835 1.00 0.32 H new ATOM 0 HB3 HIS A 101 -2.524 6.270 7.388 1.00 0.32 H new ATOM 0 HD2 HIS A 101 -0.519 7.394 9.138 1.00 1.14 H new ATOM 0 HE1 HIS A 101 -0.139 10.983 6.916 1.00 0.93 H new ATOM 0 HE2 HIS A 101 0.422 9.824 9.111 1.00 0.92 H new ATOM 1635 N PHE A 102 -0.537 6.858 3.926 1.00 0.25 N ATOM 1636 CA PHE A 102 0.239 7.672 3.009 1.00 0.24 C ATOM 1637 C PHE A 102 -0.615 8.824 2.519 1.00 0.20 C ATOM 1638 O PHE A 102 -1.651 9.150 3.112 1.00 0.21 O ATOM 1639 CB PHE A 102 0.741 6.847 1.821 1.00 0.30 C ATOM 1640 CG PHE A 102 2.221 6.959 1.627 1.00 0.54 C ATOM 1641 CD1 PHE A 102 2.770 8.090 1.054 1.00 0.99 C ATOM 1642 CD2 PHE A 102 3.062 5.938 2.027 1.00 0.85 C ATOM 1643 CE1 PHE A 102 4.132 8.205 0.882 1.00 1.33 C ATOM 1644 CE2 PHE A 102 4.426 6.045 1.857 1.00 1.13 C ATOM 1645 CZ PHE A 102 4.962 7.179 1.283 1.00 1.29 C ATOM 0 H PHE A 102 -1.503 6.708 3.633 1.00 0.25 H new ATOM 0 HA PHE A 102 1.111 8.056 3.538 1.00 0.24 H new ATOM 0 HB2 PHE A 102 0.476 5.801 1.972 1.00 0.30 H new ATOM 0 HB3 PHE A 102 0.233 7.176 0.914 1.00 0.30 H new ATOM 0 HD1 PHE A 102 2.123 8.894 0.737 1.00 0.99 H new ATOM 0 HD2 PHE A 102 2.647 5.048 2.477 1.00 0.85 H new ATOM 0 HE1 PHE A 102 4.548 9.095 0.435 1.00 1.33 H new ATOM 0 HE2 PHE A 102 5.075 5.241 2.173 1.00 1.13 H new ATOM 0 HZ PHE A 102 6.030 7.263 1.148 1.00 1.29 H new ATOM 1655 N ALA A 103 -0.184 9.431 1.439 1.00 0.22 N ATOM 1656 CA ALA A 103 -0.907 10.529 0.849 1.00 0.23 C ATOM 1657 C ALA A 103 -1.017 10.320 -0.647 1.00 0.31 C ATOM 1658 O ALA A 103 -0.159 9.697 -1.246 1.00 0.47 O ATOM 1659 CB ALA A 103 -0.201 11.844 1.160 1.00 0.34 C ATOM 0 H ALA A 103 0.673 9.178 0.948 1.00 0.22 H new ATOM 0 HA ALA A 103 -1.911 10.571 1.270 1.00 0.23 H new ATOM 0 HB1 ALA A 103 -0.754 12.669 0.710 1.00 0.34 H new ATOM 0 HB2 ALA A 103 -0.153 11.985 2.240 1.00 0.34 H new ATOM 0 HB3 ALA A 103 0.810 11.820 0.752 1.00 0.34 H new ATOM 1665 N LYS A 104 -2.093 10.793 -1.233 1.00 0.26 N ATOM 1666 CA LYS A 104 -2.187 10.896 -2.678 1.00 0.33 C ATOM 1667 C LYS A 104 -1.153 11.919 -3.189 1.00 0.40 C ATOM 1668 O LYS A 104 -0.558 11.731 -4.247 1.00 0.51 O ATOM 1669 CB LYS A 104 -3.611 11.283 -3.085 1.00 0.32 C ATOM 1670 CG LYS A 104 -3.872 11.195 -4.571 1.00 0.53 C ATOM 1671 CD LYS A 104 -3.663 9.780 -5.068 1.00 0.93 C ATOM 1672 CE LYS A 104 -4.418 9.526 -6.353 1.00 1.15 C ATOM 1673 NZ LYS A 104 -5.883 9.696 -6.175 1.00 2.18 N ATOM 0 H LYS A 104 -2.921 11.115 -0.732 1.00 0.26 H new ATOM 0 HA LYS A 104 -1.965 9.931 -3.133 1.00 0.33 H new ATOM 0 HB2 LYS A 104 -4.315 10.635 -2.564 1.00 0.32 H new ATOM 0 HB3 LYS A 104 -3.809 12.302 -2.752 1.00 0.32 H new ATOM 0 HG2 LYS A 104 -4.892 11.514 -4.786 1.00 0.53 H new ATOM 0 HG3 LYS A 104 -3.206 11.875 -5.103 1.00 0.53 H new ATOM 0 HD2 LYS A 104 -2.600 9.603 -5.229 1.00 0.93 H new ATOM 0 HD3 LYS A 104 -3.992 9.073 -4.306 1.00 0.93 H new ATOM 0 HE2 LYS A 104 -4.064 10.210 -7.124 1.00 1.15 H new ATOM 0 HE3 LYS A 104 -4.209 8.515 -6.703 1.00 1.15 H new ATOM 0 HZ1 LYS A 104 -6.338 9.783 -7.106 1.00 2.18 H new ATOM 0 HZ2 LYS A 104 -6.270 8.869 -5.677 1.00 2.18 H new ATOM 0 HZ3 LYS A 104 -6.068 10.554 -5.618 1.00 2.18 H new ATOM 1687 N PRO A 105 -0.945 13.037 -2.449 1.00 0.39 N ATOM 1688 CA PRO A 105 0.211 13.938 -2.652 1.00 0.50 C ATOM 1689 C PRO A 105 1.571 13.310 -2.276 1.00 0.66 C ATOM 1690 O PRO A 105 2.546 14.031 -2.062 1.00 1.25 O ATOM 1691 CB PRO A 105 -0.077 15.114 -1.706 1.00 0.51 C ATOM 1692 CG PRO A 105 -1.523 15.017 -1.361 1.00 0.60 C ATOM 1693 CD PRO A 105 -1.869 13.572 -1.435 1.00 0.35 C ATOM 0 HA PRO A 105 0.304 14.202 -3.705 1.00 0.50 H new ATOM 0 HB2 PRO A 105 0.543 15.056 -0.811 1.00 0.51 H new ATOM 0 HB3 PRO A 105 0.147 16.066 -2.187 1.00 0.51 H new ATOM 0 HG2 PRO A 105 -1.713 15.413 -0.363 1.00 0.60 H new ATOM 0 HG3 PRO A 105 -2.129 15.599 -2.055 1.00 0.60 H new ATOM 0 HD2 PRO A 105 -1.734 13.079 -0.472 1.00 0.35 H new ATOM 0 HD3 PRO A 105 -2.909 13.425 -1.725 1.00 0.35 H new ATOM 1701 N PHE A 106 1.624 11.981 -2.171 1.00 0.50 N ATOM 1702 CA PHE A 106 2.865 11.255 -1.847 1.00 0.65 C ATOM 1703 C PHE A 106 4.016 11.559 -2.810 1.00 0.35 C ATOM 1704 O PHE A 106 3.821 12.117 -3.895 1.00 0.68 O ATOM 1705 CB PHE A 106 2.621 9.742 -1.886 1.00 1.19 C ATOM 1706 CG PHE A 106 2.384 9.205 -3.276 1.00 2.49 C ATOM 1707 CD1 PHE A 106 1.130 9.274 -3.857 1.00 3.26 C ATOM 1708 CD2 PHE A 106 3.418 8.641 -4.003 1.00 3.00 C ATOM 1709 CE1 PHE A 106 0.911 8.796 -5.132 1.00 4.50 C ATOM 1710 CE2 PHE A 106 3.206 8.162 -5.279 1.00 4.24 C ATOM 1711 CZ PHE A 106 1.950 8.240 -5.846 1.00 4.99 C ATOM 0 H PHE A 106 0.815 11.375 -2.306 1.00 0.50 H new ATOM 0 HA PHE A 106 3.149 11.592 -0.850 1.00 0.65 H new ATOM 0 HB2 PHE A 106 3.480 9.232 -1.450 1.00 1.19 H new ATOM 0 HB3 PHE A 106 1.759 9.505 -1.262 1.00 1.19 H new ATOM 0 HD1 PHE A 106 0.311 9.709 -3.304 1.00 3.26 H new ATOM 0 HD2 PHE A 106 4.403 8.575 -3.566 1.00 3.00 H new ATOM 0 HE1 PHE A 106 -0.074 8.857 -5.570 1.00 4.50 H new ATOM 0 HE2 PHE A 106 4.023 7.726 -5.835 1.00 4.24 H new ATOM 0 HZ PHE A 106 1.782 7.867 -6.845 1.00 4.99 H new ATOM 1721 N ASP A 107 5.214 11.149 -2.402 1.00 0.40 N ATOM 1722 CA ASP A 107 6.369 11.126 -3.289 1.00 0.37 C ATOM 1723 C ASP A 107 6.614 9.701 -3.758 1.00 0.47 C ATOM 1724 O ASP A 107 6.461 8.759 -2.987 1.00 0.66 O ATOM 1725 CB ASP A 107 7.624 11.643 -2.585 1.00 0.45 C ATOM 1726 CG ASP A 107 8.094 12.977 -3.117 1.00 1.16 C ATOM 1727 OD1 ASP A 107 8.651 13.012 -4.239 1.00 1.67 O ATOM 1728 OD2 ASP A 107 7.932 13.989 -2.408 1.00 1.63 O ATOM 0 H ASP A 107 5.409 10.826 -1.454 1.00 0.40 H new ATOM 0 HA ASP A 107 6.158 11.777 -4.138 1.00 0.37 H new ATOM 0 HB2 ASP A 107 7.423 11.734 -1.518 1.00 0.45 H new ATOM 0 HB3 ASP A 107 8.424 10.911 -2.697 1.00 0.45 H new ATOM 1733 N ILE A 108 6.994 9.550 -5.015 1.00 0.48 N ATOM 1734 CA ILE A 108 7.255 8.236 -5.590 1.00 0.58 C ATOM 1735 C ILE A 108 8.373 7.516 -4.836 1.00 0.50 C ATOM 1736 O ILE A 108 8.191 6.409 -4.315 1.00 0.44 O ATOM 1737 CB ILE A 108 7.640 8.365 -7.077 1.00 0.75 C ATOM 1738 CG1 ILE A 108 6.455 8.888 -7.894 1.00 0.70 C ATOM 1739 CG2 ILE A 108 8.119 7.036 -7.619 1.00 1.04 C ATOM 1740 CD1 ILE A 108 5.313 7.900 -8.030 1.00 1.13 C ATOM 0 H ILE A 108 7.130 10.326 -5.663 1.00 0.48 H new ATOM 0 HA ILE A 108 6.340 7.650 -5.502 1.00 0.58 H new ATOM 0 HB ILE A 108 8.457 9.082 -7.161 1.00 0.75 H new ATOM 0 HG12 ILE A 108 6.080 9.799 -7.428 1.00 0.70 H new ATOM 0 HG13 ILE A 108 6.806 9.161 -8.889 1.00 0.70 H new ATOM 0 HG21 ILE A 108 8.386 7.147 -8.670 1.00 1.04 H new ATOM 0 HG22 ILE A 108 8.992 6.706 -7.055 1.00 1.04 H new ATOM 0 HG23 ILE A 108 7.324 6.296 -7.523 1.00 1.04 H new ATOM 0 HD11 ILE A 108 4.514 8.347 -8.622 1.00 1.13 H new ATOM 0 HD12 ILE A 108 5.670 6.997 -8.525 1.00 1.13 H new ATOM 0 HD13 ILE A 108 4.933 7.645 -7.041 1.00 1.13 H new ATOM 1752 N ASP A 109 9.515 8.176 -4.753 1.00 0.49 N ATOM 1753 CA ASP A 109 10.687 7.627 -4.083 1.00 0.42 C ATOM 1754 C ASP A 109 10.385 7.398 -2.614 1.00 0.34 C ATOM 1755 O ASP A 109 10.881 6.455 -2.007 1.00 0.30 O ATOM 1756 CB ASP A 109 11.851 8.603 -4.245 1.00 0.46 C ATOM 1757 CG ASP A 109 13.095 8.168 -3.502 1.00 0.98 C ATOM 1758 OD1 ASP A 109 13.614 7.079 -3.802 1.00 1.88 O ATOM 1759 OD2 ASP A 109 13.573 8.930 -2.640 1.00 0.89 O ATOM 0 H ASP A 109 9.659 9.106 -5.146 1.00 0.49 H new ATOM 0 HA ASP A 109 10.954 6.669 -4.529 1.00 0.42 H new ATOM 0 HB2 ASP A 109 12.085 8.708 -5.304 1.00 0.46 H new ATOM 0 HB3 ASP A 109 11.546 9.586 -3.887 1.00 0.46 H new ATOM 1764 N GLU A 110 9.520 8.237 -2.071 1.00 0.35 N ATOM 1765 CA GLU A 110 9.122 8.132 -0.678 1.00 0.35 C ATOM 1766 C GLU A 110 8.198 6.936 -0.487 1.00 0.33 C ATOM 1767 O GLU A 110 8.174 6.322 0.574 1.00 0.34 O ATOM 1768 CB GLU A 110 8.429 9.428 -0.249 1.00 0.49 C ATOM 1769 CG GLU A 110 7.664 9.340 1.066 1.00 0.62 C ATOM 1770 CD GLU A 110 6.912 10.616 1.388 1.00 1.15 C ATOM 1771 OE1 GLU A 110 6.080 11.049 0.560 1.00 1.68 O ATOM 1772 OE2 GLU A 110 7.138 11.184 2.478 1.00 1.71 O ATOM 0 H GLU A 110 9.077 9.004 -2.578 1.00 0.35 H new ATOM 0 HA GLU A 110 10.004 7.982 -0.056 1.00 0.35 H new ATOM 0 HB2 GLU A 110 9.180 10.214 -0.164 1.00 0.49 H new ATOM 0 HB3 GLU A 110 7.738 9.731 -1.035 1.00 0.49 H new ATOM 0 HG2 GLU A 110 6.960 8.510 1.018 1.00 0.62 H new ATOM 0 HG3 GLU A 110 8.362 9.120 1.874 1.00 0.62 H new ATOM 1779 N ILE A 111 7.464 6.591 -1.536 1.00 0.34 N ATOM 1780 CA ILE A 111 6.498 5.512 -1.464 1.00 0.33 C ATOM 1781 C ILE A 111 7.216 4.154 -1.466 1.00 0.28 C ATOM 1782 O ILE A 111 6.945 3.299 -0.617 1.00 0.27 O ATOM 1783 CB ILE A 111 5.450 5.642 -2.610 1.00 0.36 C ATOM 1784 CG1 ILE A 111 4.036 5.560 -2.044 1.00 0.61 C ATOM 1785 CG2 ILE A 111 5.644 4.612 -3.717 1.00 0.69 C ATOM 1786 CD1 ILE A 111 3.725 4.267 -1.330 1.00 1.06 C ATOM 0 H ILE A 111 7.522 7.046 -2.447 1.00 0.34 H new ATOM 0 HA ILE A 111 5.948 5.579 -0.526 1.00 0.33 H new ATOM 0 HB ILE A 111 5.603 6.619 -3.067 1.00 0.36 H new ATOM 0 HG12 ILE A 111 3.886 6.388 -1.352 1.00 0.61 H new ATOM 0 HG13 ILE A 111 3.323 5.692 -2.858 1.00 0.61 H new ATOM 0 HG21 ILE A 111 4.883 4.755 -4.485 1.00 0.69 H new ATOM 0 HG22 ILE A 111 6.633 4.734 -4.159 1.00 0.69 H new ATOM 0 HG23 ILE A 111 5.555 3.609 -3.300 1.00 0.69 H new ATOM 0 HD11 ILE A 111 2.700 4.293 -0.959 1.00 1.06 H new ATOM 0 HD12 ILE A 111 3.839 3.433 -2.022 1.00 1.06 H new ATOM 0 HD13 ILE A 111 4.411 4.140 -0.492 1.00 1.06 H new ATOM 1798 N ARG A 112 8.174 3.982 -2.383 1.00 0.27 N ATOM 1799 CA ARG A 112 8.984 2.762 -2.430 1.00 0.24 C ATOM 1800 C ARG A 112 9.874 2.682 -1.188 1.00 0.22 C ATOM 1801 O ARG A 112 10.073 1.610 -0.618 1.00 0.22 O ATOM 1802 CB ARG A 112 9.832 2.717 -3.711 1.00 0.23 C ATOM 1803 CG ARG A 112 10.723 3.935 -3.894 1.00 0.23 C ATOM 1804 CD ARG A 112 11.523 3.876 -5.184 1.00 0.23 C ATOM 1805 NE ARG A 112 12.457 5.000 -5.290 1.00 0.79 N ATOM 1806 CZ ARG A 112 13.406 5.117 -6.221 1.00 0.82 C ATOM 1807 NH1 ARG A 112 13.611 4.152 -7.099 1.00 1.16 N ATOM 1808 NH2 ARG A 112 14.190 6.183 -6.227 1.00 1.39 N ATOM 0 H ARG A 112 8.406 4.670 -3.100 1.00 0.27 H new ATOM 0 HA ARG A 112 8.317 1.900 -2.442 1.00 0.24 H new ATOM 0 HB2 ARG A 112 10.454 1.822 -3.694 1.00 0.23 H new ATOM 0 HB3 ARG A 112 9.170 2.629 -4.572 1.00 0.23 H new ATOM 0 HG2 ARG A 112 10.109 4.835 -3.891 1.00 0.23 H new ATOM 0 HG3 ARG A 112 11.407 4.013 -3.048 1.00 0.23 H new ATOM 0 HD2 ARG A 112 12.076 2.937 -5.228 1.00 0.23 H new ATOM 0 HD3 ARG A 112 10.843 3.886 -6.036 1.00 0.23 H new ATOM 0 HE ARG A 112 12.376 5.748 -4.601 1.00 0.79 H new ATOM 0 HH11 ARG A 112 13.041 3.307 -7.070 1.00 1.16 H new ATOM 0 HH12 ARG A 112 14.339 4.252 -7.806 1.00 1.16 H new ATOM 0 HH21 ARG A 112 14.067 6.910 -5.522 1.00 1.39 H new ATOM 0 HH22 ARG A 112 14.917 6.277 -6.936 1.00 1.39 H new ATOM 1822 N ASP A 113 10.385 3.835 -0.760 1.00 0.23 N ATOM 1823 CA ASP A 113 11.225 3.904 0.429 1.00 0.24 C ATOM 1824 C ASP A 113 10.436 3.530 1.682 1.00 0.25 C ATOM 1825 O ASP A 113 10.865 2.695 2.479 1.00 0.26 O ATOM 1826 CB ASP A 113 11.817 5.306 0.589 1.00 0.28 C ATOM 1827 CG ASP A 113 12.643 5.448 1.853 1.00 0.39 C ATOM 1828 OD1 ASP A 113 13.822 5.031 1.847 1.00 0.58 O ATOM 1829 OD2 ASP A 113 12.115 5.973 2.858 1.00 0.43 O ATOM 0 H ASP A 113 10.231 4.732 -1.220 1.00 0.23 H new ATOM 0 HA ASP A 113 12.036 3.187 0.304 1.00 0.24 H new ATOM 0 HB2 ASP A 113 12.440 5.534 -0.276 1.00 0.28 H new ATOM 0 HB3 ASP A 113 11.010 6.038 0.602 1.00 0.28 H new ATOM 1834 N ALA A 114 9.269 4.126 1.842 1.00 0.26 N ATOM 1835 CA ALA A 114 8.461 3.887 3.026 1.00 0.28 C ATOM 1836 C ALA A 114 8.055 2.427 3.134 1.00 0.28 C ATOM 1837 O ALA A 114 8.120 1.845 4.215 1.00 0.32 O ATOM 1838 CB ALA A 114 7.234 4.777 3.035 1.00 0.35 C ATOM 0 H ALA A 114 8.860 4.776 1.171 1.00 0.26 H new ATOM 0 HA ALA A 114 9.073 4.133 3.894 1.00 0.28 H new ATOM 0 HB1 ALA A 114 6.647 4.578 3.931 1.00 0.35 H new ATOM 0 HB2 ALA A 114 7.543 5.822 3.028 1.00 0.35 H new ATOM 0 HB3 ALA A 114 6.629 4.571 2.152 1.00 0.35 H new ATOM 1844 N VAL A 115 7.654 1.823 2.020 1.00 0.27 N ATOM 1845 CA VAL A 115 7.222 0.436 2.058 1.00 0.29 C ATOM 1846 C VAL A 115 8.394 -0.510 2.303 1.00 0.30 C ATOM 1847 O VAL A 115 8.218 -1.518 2.966 1.00 0.35 O ATOM 1848 CB VAL A 115 6.451 -0.001 0.796 1.00 0.34 C ATOM 1849 CG1 VAL A 115 5.226 0.877 0.596 1.00 0.37 C ATOM 1850 CG2 VAL A 115 7.346 0.016 -0.432 1.00 0.33 C ATOM 0 H VAL A 115 7.620 2.263 1.100 1.00 0.27 H new ATOM 0 HA VAL A 115 6.529 0.373 2.897 1.00 0.29 H new ATOM 0 HB VAL A 115 6.117 -1.029 0.939 1.00 0.34 H new ATOM 0 HG11 VAL A 115 4.691 0.557 -0.298 1.00 0.37 H new ATOM 0 HG12 VAL A 115 4.570 0.789 1.462 1.00 0.37 H new ATOM 0 HG13 VAL A 115 5.537 1.915 0.481 1.00 0.37 H new ATOM 0 HG21 VAL A 115 6.773 -0.297 -1.305 1.00 0.33 H new ATOM 0 HG22 VAL A 115 7.727 1.025 -0.591 1.00 0.33 H new ATOM 0 HG23 VAL A 115 8.182 -0.668 -0.283 1.00 0.33 H new ATOM 1860 N LYS A 116 9.590 -0.183 1.799 1.00 0.29 N ATOM 1861 CA LYS A 116 10.756 -1.040 2.034 1.00 0.33 C ATOM 1862 C LYS A 116 11.120 -1.032 3.514 1.00 0.32 C ATOM 1863 O LYS A 116 11.624 -2.015 4.052 1.00 0.40 O ATOM 1864 CB LYS A 116 11.973 -0.593 1.212 1.00 0.44 C ATOM 1865 CG LYS A 116 12.704 0.606 1.784 1.00 0.50 C ATOM 1866 CD LYS A 116 13.996 0.893 1.046 1.00 0.70 C ATOM 1867 CE LYS A 116 14.828 1.923 1.791 1.00 0.97 C ATOM 1868 NZ LYS A 116 16.055 2.305 1.047 1.00 1.48 N ATOM 0 H LYS A 116 9.774 0.649 1.239 1.00 0.29 H new ATOM 0 HA LYS A 116 10.486 -2.048 1.719 1.00 0.33 H new ATOM 0 HB2 LYS A 116 12.671 -1.427 1.135 1.00 0.44 H new ATOM 0 HB3 LYS A 116 11.646 -0.356 0.200 1.00 0.44 H new ATOM 0 HG2 LYS A 116 12.057 1.482 1.735 1.00 0.50 H new ATOM 0 HG3 LYS A 116 12.921 0.429 2.837 1.00 0.50 H new ATOM 0 HD2 LYS A 116 14.567 -0.028 0.932 1.00 0.70 H new ATOM 0 HD3 LYS A 116 13.774 1.256 0.043 1.00 0.70 H new ATOM 0 HE2 LYS A 116 14.224 2.812 1.971 1.00 0.97 H new ATOM 0 HE3 LYS A 116 15.107 1.524 2.766 1.00 0.97 H new ATOM 0 HZ1 LYS A 116 16.589 3.009 1.596 1.00 1.48 H new ATOM 0 HZ2 LYS A 116 16.646 1.463 0.897 1.00 1.48 H new ATOM 0 HZ3 LYS A 116 15.791 2.711 0.127 1.00 1.48 H new ATOM 1882 N LYS A 117 10.865 0.100 4.160 1.00 0.28 N ATOM 1883 CA LYS A 117 11.168 0.266 5.573 1.00 0.31 C ATOM 1884 C LYS A 117 10.164 -0.472 6.458 1.00 0.33 C ATOM 1885 O LYS A 117 10.428 -0.740 7.629 1.00 0.46 O ATOM 1886 CB LYS A 117 11.193 1.742 5.905 1.00 0.39 C ATOM 1887 CG LYS A 117 12.247 2.462 5.098 1.00 0.55 C ATOM 1888 CD LYS A 117 13.023 3.445 5.935 1.00 1.00 C ATOM 1889 CE LYS A 117 12.353 4.808 5.942 1.00 1.77 C ATOM 1890 NZ LYS A 117 13.185 5.851 6.596 1.00 2.58 N ATOM 0 H LYS A 117 10.446 0.921 3.722 1.00 0.28 H new ATOM 0 HA LYS A 117 12.147 -0.170 5.772 1.00 0.31 H new ATOM 0 HB2 LYS A 117 10.215 2.180 5.705 1.00 0.39 H new ATOM 0 HB3 LYS A 117 11.390 1.876 6.969 1.00 0.39 H new ATOM 0 HG2 LYS A 117 12.933 1.734 4.665 1.00 0.55 H new ATOM 0 HG3 LYS A 117 11.773 2.987 4.268 1.00 0.55 H new ATOM 0 HD2 LYS A 117 13.106 3.072 6.956 1.00 1.00 H new ATOM 0 HD3 LYS A 117 14.037 3.537 5.546 1.00 1.00 H new ATOM 0 HE2 LYS A 117 12.140 5.109 4.916 1.00 1.77 H new ATOM 0 HE3 LYS A 117 11.396 4.735 6.458 1.00 1.77 H new ATOM 0 HZ1 LYS A 117 12.682 6.761 6.574 1.00 2.58 H new ATOM 0 HZ2 LYS A 117 13.368 5.581 7.583 1.00 2.58 H new ATOM 0 HZ3 LYS A 117 14.089 5.943 6.089 1.00 2.58 H new ATOM 1904 N TYR A 118 9.008 -0.790 5.887 1.00 0.29 N ATOM 1905 CA TYR A 118 7.961 -1.512 6.603 1.00 0.37 C ATOM 1906 C TYR A 118 7.873 -2.958 6.148 1.00 0.39 C ATOM 1907 O TYR A 118 8.107 -3.879 6.928 1.00 0.50 O ATOM 1908 CB TYR A 118 6.616 -0.831 6.398 1.00 0.41 C ATOM 1909 CG TYR A 118 6.381 0.352 7.312 1.00 0.48 C ATOM 1910 CD1 TYR A 118 5.816 0.174 8.569 1.00 0.63 C ATOM 1911 CD2 TYR A 118 6.718 1.641 6.923 1.00 0.54 C ATOM 1912 CE1 TYR A 118 5.594 1.245 9.411 1.00 0.71 C ATOM 1913 CE2 TYR A 118 6.501 2.719 7.759 1.00 0.63 C ATOM 1914 CZ TYR A 118 5.938 2.516 9.003 1.00 0.67 C ATOM 1915 OH TYR A 118 5.717 3.584 9.843 1.00 0.77 O ATOM 0 H TYR A 118 8.770 -0.557 4.923 1.00 0.29 H new ATOM 0 HA TYR A 118 8.218 -1.501 7.662 1.00 0.37 H new ATOM 0 HB2 TYR A 118 6.543 -0.498 5.363 1.00 0.41 H new ATOM 0 HB3 TYR A 118 5.822 -1.562 6.555 1.00 0.41 H new ATOM 0 HD1 TYR A 118 5.546 -0.820 8.893 1.00 0.63 H new ATOM 0 HD2 TYR A 118 7.157 1.804 5.950 1.00 0.54 H new ATOM 0 HE1 TYR A 118 5.153 1.088 10.384 1.00 0.71 H new ATOM 0 HE2 TYR A 118 6.770 3.715 7.441 1.00 0.63 H new ATOM 0 HH TYR A 118 6.015 4.410 9.408 1.00 0.77 H new ATOM 1925 N LEU A 119 7.516 -3.140 4.890 1.00 0.33 N ATOM 1926 CA LEU A 119 7.477 -4.459 4.282 1.00 0.36 C ATOM 1927 C LEU A 119 8.735 -4.633 3.443 1.00 0.39 C ATOM 1928 O LEU A 119 8.806 -4.192 2.292 1.00 0.40 O ATOM 1929 CB LEU A 119 6.208 -4.630 3.422 1.00 0.37 C ATOM 1930 CG LEU A 119 5.952 -6.036 2.847 1.00 0.59 C ATOM 1931 CD1 LEU A 119 6.620 -6.217 1.488 1.00 1.15 C ATOM 1932 CD2 LEU A 119 6.429 -7.111 3.816 1.00 1.37 C ATOM 0 H LEU A 119 7.246 -2.382 4.263 1.00 0.33 H new ATOM 0 HA LEU A 119 7.443 -5.225 5.057 1.00 0.36 H new ATOM 0 HB2 LEU A 119 5.346 -4.346 4.026 1.00 0.37 H new ATOM 0 HB3 LEU A 119 6.261 -3.926 2.591 1.00 0.37 H new ATOM 0 HG LEU A 119 4.876 -6.140 2.708 1.00 0.59 H new ATOM 0 HD11 LEU A 119 6.418 -7.221 1.114 1.00 1.15 H new ATOM 0 HD12 LEU A 119 6.224 -5.482 0.787 1.00 1.15 H new ATOM 0 HD13 LEU A 119 7.696 -6.078 1.590 1.00 1.15 H new ATOM 0 HD21 LEU A 119 6.238 -8.096 3.390 1.00 1.37 H new ATOM 0 HD22 LEU A 119 7.498 -6.993 3.993 1.00 1.37 H new ATOM 0 HD23 LEU A 119 5.892 -7.014 4.760 1.00 1.37 H new ATOM 1944 N PRO A 120 9.761 -5.251 4.020 1.00 0.48 N ATOM 1945 CA PRO A 120 11.031 -5.416 3.385 1.00 0.56 C ATOM 1946 C PRO A 120 11.191 -6.780 2.741 1.00 0.53 C ATOM 1947 O PRO A 120 10.539 -7.758 3.121 1.00 0.61 O ATOM 1948 CB PRO A 120 11.999 -5.220 4.552 1.00 0.68 C ATOM 1949 CG PRO A 120 11.199 -5.459 5.798 1.00 0.67 C ATOM 1950 CD PRO A 120 9.805 -5.815 5.355 1.00 0.55 C ATOM 0 HA PRO A 120 11.189 -4.724 2.558 1.00 0.56 H new ATOM 0 HB2 PRO A 120 12.835 -5.916 4.486 1.00 0.68 H new ATOM 0 HB3 PRO A 120 12.420 -4.214 4.545 1.00 0.68 H new ATOM 0 HG2 PRO A 120 11.635 -6.264 6.389 1.00 0.67 H new ATOM 0 HG3 PRO A 120 11.190 -4.570 6.428 1.00 0.67 H new ATOM 0 HD2 PRO A 120 9.641 -6.893 5.348 1.00 0.55 H new ATOM 0 HD3 PRO A 120 9.046 -5.381 6.007 1.00 0.55 H new ATOM 1958 N LEU A 121 12.069 -6.833 1.761 1.00 0.57 N ATOM 1959 CA LEU A 121 12.169 -8.000 0.895 1.00 0.49 C ATOM 1960 C LEU A 121 13.474 -8.008 0.098 1.00 0.53 C ATOM 1961 O LEU A 121 14.099 -9.051 -0.079 1.00 0.56 O ATOM 1962 CB LEU A 121 10.934 -8.061 -0.029 1.00 0.50 C ATOM 1963 CG LEU A 121 10.727 -6.930 -1.071 1.00 0.69 C ATOM 1964 CD1 LEU A 121 9.272 -6.885 -1.482 1.00 1.11 C ATOM 1965 CD2 LEU A 121 11.135 -5.552 -0.570 1.00 1.31 C ATOM 0 H LEU A 121 12.726 -6.084 1.540 1.00 0.57 H new ATOM 0 HA LEU A 121 12.187 -8.895 1.517 1.00 0.49 H new ATOM 0 HB2 LEU A 121 10.973 -9.006 -0.570 1.00 0.50 H new ATOM 0 HB3 LEU A 121 10.048 -8.093 0.605 1.00 0.50 H new ATOM 0 HG LEU A 121 11.375 -7.169 -1.914 1.00 0.69 H new ATOM 0 HD11 LEU A 121 9.125 -6.091 -2.214 1.00 1.11 H new ATOM 0 HD12 LEU A 121 8.988 -7.841 -1.922 1.00 1.11 H new ATOM 0 HD13 LEU A 121 8.652 -6.691 -0.607 1.00 1.11 H new ATOM 0 HD21 LEU A 121 10.961 -4.814 -1.353 1.00 1.31 H new ATOM 0 HD22 LEU A 121 10.544 -5.295 0.309 1.00 1.31 H new ATOM 0 HD23 LEU A 121 12.193 -5.559 -0.306 1.00 1.31 H new