USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1051 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 72 SER OG : rot 155:sc= 0.266 USER MOD Set 1.2: A 102 TYR OH : rot 180:sc= 0.245 USER MOD Set 2.1: A 33 ASN : amide:sc= -0.0132 X(o=0.17,f=0.042) USER MOD Set 2.2: A 59 ASN : amide:sc= 0.185 K(o=0.17,f=-6.7!) USER MOD Set 3.1: A 9 THR OG1 : rot 80:sc= 0.108 USER MOD Set 3.2: A 83 GLN : amide:sc= -0.881 X(o=-0.77,f=-0.34) USER MOD Set 4.1: A 2 LYS NZ :NH3+ 157:sc= 1.17 (180deg=-0.148) USER MOD Set 4.2: A 76 TYR OH : rot 166:sc= 0.263 USER MOD Single : A 8 ASN : amide:sc= -0.922 K(o=-0.92,f=-0.23) USER MOD Single : A 10 ASN : amide:sc= 0.108 X(o=0.11,f=0) USER MOD Single : A 11 ASN : amide:sc= -0.12 K(o=-0.12,f=-5.8!) USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= 0.73 (180deg=0.538) USER MOD Single : A 17 LYS NZ :NH3+ -115:sc= 0.358 (180deg=-0.297) USER MOD Single : A 19 LYS NZ :NH3+ -112:sc= 1 (180deg=-0.193) USER MOD Single : A 20 LYS NZ :NH3+ 163:sc= 0.958 (180deg=0.748) USER MOD Single : A 24 ASN : amide:sc= -0.621 K(o=-0.62,f=-0.087) USER MOD Single : A 25 GLN : amide:sc= -0.796 X(o=-0.8,f=-0.38) USER MOD Single : A 27 TYR OH : rot 73:sc= -0.219! USER MOD Single : A 28 GLN : amide:sc= -3.48! K(o=-3.5!,f=-2.4) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0143) USER MOD Single : A 42 MET CE :methyl -174:sc= 0 (180deg=-0.00853) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 145:sc= 1.12 (180deg=0.342) USER MOD Single : A 58 SER OG : rot -118:sc= 0.391 USER MOD Single : A 61 LYS NZ :NH3+ 164:sc= 0.892 (180deg=0.538) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 65 LYS NZ :NH3+ -170:sc= -0.0158 (180deg=-0.133) USER MOD Single : A 67 MET CE :methyl 137:sc= -0.089 (180deg=-0.646) USER MOD Single : A 73 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0058) USER MOD Single : A 77 LYS NZ :NH3+ -108:sc= 0.336 (180deg=-0.701) USER MOD Single : A 85 GLN : amide:sc= -0.581 K(o=-0.58,f=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 176:sc= 0.364 (180deg=0.232) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 106 LYS NZ :NH3+ -170:sc= 0.511 (180deg=0.457) USER MOD Single : A 108 THR OG1 : rot -166:sc= 0.175 USER MOD Single : A 115 LYS NZ :NH3+ 163:sc= -0.0841 (180deg=-0.377) USER MOD Single : A 121 MET CE :methyl -139:sc= -0.79 (180deg=-3.38!) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -12.760 6.904 4.075 1.00 52.03 N ATOM 21 CA LYS A 2 -12.082 5.856 3.308 1.00 14.13 C ATOM 22 C LYS A 2 -10.565 6.030 3.378 1.00 33.32 C ATOM 23 O LYS A 2 -10.024 7.135 3.201 1.00 70.13 O ATOM 24 CB LYS A 2 -12.550 5.865 1.840 1.00 35.00 C ATOM 25 CG LYS A 2 -14.019 5.441 1.651 1.00 51.14 C ATOM 26 CD LYS A 2 -14.508 5.716 0.222 1.00 10.43 C ATOM 27 CE LYS A 2 -13.725 4.960 -0.865 1.00 63.11 C ATOM 28 NZ LYS A 2 -14.129 5.400 -2.227 1.00 13.22 N ATOM 0 HA LYS A 2 -12.342 4.894 3.750 1.00 14.13 H new ATOM 0 HB2 LYS A 2 -12.416 6.867 1.432 1.00 35.00 H new ATOM 0 HB3 LYS A 2 -11.912 5.197 1.261 1.00 35.00 H new ATOM 0 HG2 LYS A 2 -14.123 4.379 1.874 1.00 51.14 H new ATOM 0 HG3 LYS A 2 -14.648 5.979 2.361 1.00 51.14 H new ATOM 0 HD2 LYS A 2 -15.561 5.445 0.151 1.00 10.43 H new ATOM 0 HD3 LYS A 2 -14.440 6.786 0.026 1.00 10.43 H new ATOM 0 HE2 LYS A 2 -12.656 5.127 -0.729 1.00 63.11 H new ATOM 0 HE3 LYS A 2 -13.896 3.889 -0.761 1.00 63.11 H new ATOM 0 HZ1 LYS A 2 -13.364 5.193 -2.900 1.00 13.22 H new ATOM 0 HZ2 LYS A 2 -14.990 4.892 -2.515 1.00 13.22 H new ATOM 0 HZ3 LYS A 2 -14.317 6.423 -2.220 1.00 13.22 H new ATOM 42 N GLU A 3 -9.918 4.903 3.631 1.00 5.13 N ATOM 43 CA GLU A 3 -8.464 4.759 3.708 1.00 60.40 C ATOM 44 C GLU A 3 -7.993 3.878 2.543 1.00 3.32 C ATOM 45 O GLU A 3 -8.590 2.827 2.264 1.00 22.24 O ATOM 46 CB GLU A 3 -8.015 4.113 5.058 1.00 62.23 C ATOM 47 CG GLU A 3 -8.047 5.021 6.308 1.00 31.21 C ATOM 48 CD GLU A 3 -9.442 5.385 6.843 1.00 13.23 C ATOM 49 OE1 GLU A 3 -10.004 4.608 7.637 1.00 73.12 O ATOM 50 OE2 GLU A 3 -9.951 6.480 6.538 1.00 12.23 O ATOM 0 H GLU A 3 -10.408 4.024 3.796 1.00 5.13 H new ATOM 0 HA GLU A 3 -8.018 5.752 3.650 1.00 60.40 H new ATOM 0 HB2 GLU A 3 -8.651 3.249 5.249 1.00 62.23 H new ATOM 0 HB3 GLU A 3 -6.998 3.740 4.935 1.00 62.23 H new ATOM 0 HG2 GLU A 3 -7.492 4.527 7.105 1.00 31.21 H new ATOM 0 HG3 GLU A 3 -7.517 5.945 6.075 1.00 31.21 H new ATOM 57 N LEU A 4 -6.943 4.327 1.861 1.00 23.30 N ATOM 58 CA LEU A 4 -6.270 3.569 0.807 1.00 73.43 C ATOM 59 C LEU A 4 -4.837 3.304 1.270 1.00 54.44 C ATOM 60 O LEU A 4 -4.032 4.235 1.396 1.00 32.35 O ATOM 61 CB LEU A 4 -6.292 4.334 -0.549 1.00 30.33 C ATOM 62 CG LEU A 4 -7.630 4.305 -1.379 1.00 11.35 C ATOM 63 CD1 LEU A 4 -8.032 2.858 -1.761 1.00 62.34 C ATOM 64 CD2 LEU A 4 -8.795 5.049 -0.671 1.00 73.44 C ATOM 0 H LEU A 4 -6.528 5.244 2.027 1.00 23.30 H new ATOM 0 HA LEU A 4 -6.791 2.627 0.635 1.00 73.43 H new ATOM 0 HB2 LEU A 4 -6.042 5.376 -0.351 1.00 30.33 H new ATOM 0 HB3 LEU A 4 -5.498 3.929 -1.177 1.00 30.33 H new ATOM 0 HG LEU A 4 -7.430 4.851 -2.301 1.00 11.35 H new ATOM 0 HD11 LEU A 4 -8.960 2.877 -2.333 1.00 62.34 H new ATOM 0 HD12 LEU A 4 -7.243 2.408 -2.364 1.00 62.34 H new ATOM 0 HD13 LEU A 4 -8.176 2.269 -0.855 1.00 62.34 H new ATOM 0 HD21 LEU A 4 -9.691 4.995 -1.290 1.00 73.44 H new ATOM 0 HD22 LEU A 4 -8.992 4.582 0.294 1.00 73.44 H new ATOM 0 HD23 LEU A 4 -8.521 6.093 -0.519 1.00 73.44 H new ATOM 76 N ILE A 5 -4.539 2.035 1.542 1.00 21.22 N ATOM 77 CA ILE A 5 -3.213 1.581 1.984 1.00 73.22 C ATOM 78 C ILE A 5 -2.546 0.810 0.836 1.00 32.30 C ATOM 79 O ILE A 5 -3.153 -0.082 0.259 1.00 75.04 O ATOM 80 CB ILE A 5 -3.305 0.691 3.293 1.00 4.34 C ATOM 81 CG1 ILE A 5 -1.937 -0.011 3.604 1.00 45.04 C ATOM 82 CG2 ILE A 5 -4.469 -0.323 3.215 1.00 71.44 C ATOM 83 CD1 ILE A 5 -1.913 -0.904 4.839 1.00 12.44 C ATOM 0 H ILE A 5 -5.219 1.279 1.462 1.00 21.22 H new ATOM 0 HA ILE A 5 -2.607 2.450 2.241 1.00 73.22 H new ATOM 0 HB ILE A 5 -3.523 1.358 4.127 1.00 4.34 H new ATOM 0 HG12 ILE A 5 -1.654 -0.612 2.740 1.00 45.04 H new ATOM 0 HG13 ILE A 5 -1.174 0.759 3.721 1.00 45.04 H new ATOM 0 HG21 ILE A 5 -4.499 -0.914 4.130 1.00 71.44 H new ATOM 0 HG22 ILE A 5 -5.411 0.213 3.098 1.00 71.44 H new ATOM 0 HG23 ILE A 5 -4.319 -0.984 2.361 1.00 71.44 H new ATOM 0 HD11 ILE A 5 -0.919 -1.336 4.956 1.00 12.44 H new ATOM 0 HD12 ILE A 5 -2.158 -0.312 5.721 1.00 12.44 H new ATOM 0 HD13 ILE A 5 -2.645 -1.703 4.724 1.00 12.44 H new ATOM 95 N LEU A 6 -1.308 1.186 0.497 1.00 53.50 N ATOM 96 CA LEU A 6 -0.529 0.570 -0.582 1.00 55.12 C ATOM 97 C LEU A 6 0.653 -0.166 0.052 1.00 62.54 C ATOM 98 O LEU A 6 1.452 0.453 0.747 1.00 21.43 O ATOM 99 CB LEU A 6 -0.012 1.643 -1.589 1.00 3.43 C ATOM 100 CG LEU A 6 -1.082 2.488 -2.375 1.00 34.14 C ATOM 101 CD1 LEU A 6 -1.792 3.539 -1.481 1.00 33.20 C ATOM 102 CD2 LEU A 6 -0.443 3.158 -3.611 1.00 34.23 C ATOM 0 H LEU A 6 -0.811 1.939 0.973 1.00 53.50 H new ATOM 0 HA LEU A 6 -1.161 -0.122 -1.139 1.00 55.12 H new ATOM 0 HB2 LEU A 6 0.626 2.337 -1.041 1.00 3.43 H new ATOM 0 HB3 LEU A 6 0.620 1.139 -2.320 1.00 3.43 H new ATOM 0 HG LEU A 6 -1.852 1.793 -2.708 1.00 34.14 H new ATOM 0 HD11 LEU A 6 -2.519 4.092 -2.076 1.00 33.20 H new ATOM 0 HD12 LEU A 6 -2.303 3.034 -0.662 1.00 33.20 H new ATOM 0 HD13 LEU A 6 -1.053 4.231 -1.076 1.00 33.20 H new ATOM 0 HD21 LEU A 6 -1.198 3.738 -4.142 1.00 34.23 H new ATOM 0 HD22 LEU A 6 0.363 3.818 -3.291 1.00 34.23 H new ATOM 0 HD23 LEU A 6 -0.042 2.391 -4.274 1.00 34.23 H new ATOM 114 N ILE A 7 0.739 -1.486 -0.164 1.00 35.30 N ATOM 115 CA ILE A 7 1.854 -2.323 0.316 1.00 24.13 C ATOM 116 C ILE A 7 2.829 -2.538 -0.857 1.00 65.31 C ATOM 117 O ILE A 7 2.391 -2.674 -1.999 1.00 40.32 O ATOM 118 CB ILE A 7 1.367 -3.729 0.885 1.00 55.54 C ATOM 119 CG1 ILE A 7 0.488 -3.586 2.180 1.00 42.32 C ATOM 120 CG2 ILE A 7 2.563 -4.667 1.169 1.00 43.44 C ATOM 121 CD1 ILE A 7 -0.910 -3.054 1.965 1.00 23.21 C ATOM 0 H ILE A 7 0.032 -2.010 -0.681 1.00 35.30 H new ATOM 0 HA ILE A 7 2.341 -1.807 1.144 1.00 24.13 H new ATOM 0 HB ILE A 7 0.744 -4.169 0.106 1.00 55.54 H new ATOM 0 HG12 ILE A 7 0.416 -4.563 2.658 1.00 42.32 H new ATOM 0 HG13 ILE A 7 1.005 -2.927 2.877 1.00 42.32 H new ATOM 0 HG21 ILE A 7 2.196 -5.618 1.556 1.00 43.44 H new ATOM 0 HG22 ILE A 7 3.117 -4.840 0.246 1.00 43.44 H new ATOM 0 HG23 ILE A 7 3.221 -4.205 1.905 1.00 43.44 H new ATOM 0 HD11 ILE A 7 -1.428 -2.996 2.922 1.00 23.21 H new ATOM 0 HD12 ILE A 7 -0.857 -2.060 1.520 1.00 23.21 H new ATOM 0 HD13 ILE A 7 -1.455 -3.722 1.298 1.00 23.21 H new ATOM 133 N ASN A 8 4.145 -2.528 -0.577 1.00 22.34 N ATOM 134 CA ASN A 8 5.174 -2.856 -1.569 1.00 43.31 C ATOM 135 C ASN A 8 6.013 -4.035 -1.083 1.00 61.45 C ATOM 136 O ASN A 8 6.713 -3.933 -0.073 1.00 73.15 O ATOM 137 CB ASN A 8 6.092 -1.654 -1.861 1.00 3.54 C ATOM 138 CG ASN A 8 7.119 -1.962 -2.963 1.00 23.50 C ATOM 139 OD1 ASN A 8 8.264 -2.331 -2.690 1.00 45.43 O ATOM 140 ND2 ASN A 8 6.697 -1.867 -4.221 1.00 14.13 N ATOM 0 H ASN A 8 4.520 -2.292 0.342 1.00 22.34 H new ATOM 0 HA ASN A 8 4.664 -3.122 -2.495 1.00 43.31 H new ATOM 0 HB2 ASN A 8 5.485 -0.800 -2.161 1.00 3.54 H new ATOM 0 HB3 ASN A 8 6.615 -1.369 -0.948 1.00 3.54 H new ATOM 0 HD21 ASN A 8 7.326 -2.102 -4.989 1.00 14.13 H new ATOM 0 HD22 ASN A 8 5.745 -1.559 -4.418 1.00 14.13 H new ATOM 147 N THR A 9 5.877 -5.160 -1.784 1.00 34.33 N ATOM 148 CA THR A 9 6.787 -6.297 -1.696 1.00 21.42 C ATOM 149 C THR A 9 6.867 -6.956 -3.087 1.00 15.12 C ATOM 150 O THR A 9 5.837 -7.292 -3.687 1.00 41.42 O ATOM 151 CB THR A 9 6.360 -7.323 -0.591 1.00 44.41 C ATOM 152 OG1 THR A 9 7.260 -8.440 -0.582 1.00 32.21 O ATOM 153 CG2 THR A 9 4.914 -7.820 -0.754 1.00 23.11 C ATOM 0 H THR A 9 5.113 -5.308 -2.443 1.00 34.33 H new ATOM 0 HA THR A 9 7.773 -5.943 -1.395 1.00 21.42 H new ATOM 0 HB THR A 9 6.408 -6.794 0.361 1.00 44.41 H new ATOM 0 HG1 THR A 9 8.080 -8.196 -0.103 1.00 32.21 H new ATOM 0 HG21 THR A 9 4.680 -8.527 0.042 1.00 23.11 H new ATOM 0 HG22 THR A 9 4.230 -6.973 -0.699 1.00 23.11 H new ATOM 0 HG23 THR A 9 4.805 -8.312 -1.720 1.00 23.11 H new ATOM 161 N ASN A 10 8.093 -7.076 -3.622 1.00 52.44 N ATOM 162 CA ASN A 10 8.342 -7.783 -4.886 1.00 34.12 C ATOM 163 C ASN A 10 8.377 -9.309 -4.642 1.00 73.24 C ATOM 164 O ASN A 10 8.215 -10.097 -5.576 1.00 24.20 O ATOM 165 CB ASN A 10 9.652 -7.277 -5.546 1.00 23.01 C ATOM 166 CG ASN A 10 9.899 -7.888 -6.933 1.00 14.00 C ATOM 167 OD1 ASN A 10 10.605 -8.889 -7.074 1.00 34.12 O ATOM 168 ND2 ASN A 10 9.276 -7.331 -7.964 1.00 64.41 N ATOM 0 H ASN A 10 8.933 -6.688 -3.193 1.00 52.44 H new ATOM 0 HA ASN A 10 7.527 -7.573 -5.579 1.00 34.12 H new ATOM 0 HB2 ASN A 10 9.612 -6.191 -5.635 1.00 23.01 H new ATOM 0 HB3 ASN A 10 10.495 -7.513 -4.896 1.00 23.01 H new ATOM 0 HD21 ASN A 10 9.376 -7.731 -8.897 1.00 64.41 H new ATOM 0 HD22 ASN A 10 8.697 -6.503 -7.823 1.00 64.41 H new ATOM 175 N ASN A 11 8.562 -9.711 -3.362 1.00 70.21 N ATOM 176 CA ASN A 11 8.524 -11.128 -2.950 1.00 13.21 C ATOM 177 C ASN A 11 7.078 -11.641 -3.123 1.00 23.11 C ATOM 178 O ASN A 11 6.203 -11.329 -2.308 1.00 32.54 O ATOM 179 CB ASN A 11 8.998 -11.287 -1.473 1.00 43.43 C ATOM 180 CG ASN A 11 9.121 -12.750 -0.981 1.00 64.02 C ATOM 181 OD1 ASN A 11 8.475 -13.668 -1.491 1.00 64.03 O ATOM 182 ND2 ASN A 11 9.928 -12.968 0.045 1.00 4.42 N ATOM 0 H ASN A 11 8.740 -9.065 -2.593 1.00 70.21 H new ATOM 0 HA ASN A 11 9.201 -11.715 -3.571 1.00 13.21 H new ATOM 0 HB2 ASN A 11 9.967 -10.800 -1.363 1.00 43.43 H new ATOM 0 HB3 ASN A 11 8.300 -10.758 -0.824 1.00 43.43 H new ATOM 0 HD21 ASN A 11 10.024 -13.909 0.428 1.00 4.42 H new ATOM 0 HD22 ASN A 11 10.454 -12.195 0.453 1.00 4.42 H new ATOM 189 N ASP A 12 6.855 -12.401 -4.214 1.00 3.21 N ATOM 190 CA ASP A 12 5.537 -12.937 -4.612 1.00 40.11 C ATOM 191 C ASP A 12 4.919 -13.828 -3.525 1.00 22.33 C ATOM 192 O ASP A 12 3.697 -13.833 -3.318 1.00 50.30 O ATOM 193 CB ASP A 12 5.681 -13.731 -5.935 1.00 51.42 C ATOM 194 CG ASP A 12 4.335 -14.181 -6.522 1.00 14.41 C ATOM 195 OD1 ASP A 12 3.487 -13.312 -6.796 1.00 52.33 O ATOM 196 OD2 ASP A 12 4.111 -15.397 -6.702 1.00 5.14 O ATOM 0 H ASP A 12 7.602 -12.665 -4.857 1.00 3.21 H new ATOM 0 HA ASP A 12 4.863 -12.092 -4.755 1.00 40.11 H new ATOM 0 HB2 ASP A 12 6.200 -13.113 -6.667 1.00 51.42 H new ATOM 0 HB3 ASP A 12 6.304 -14.608 -5.759 1.00 51.42 H new ATOM 201 N GLU A 13 5.789 -14.564 -2.828 1.00 42.25 N ATOM 202 CA GLU A 13 5.381 -15.496 -1.778 1.00 1.35 C ATOM 203 C GLU A 13 4.922 -14.729 -0.520 1.00 61.15 C ATOM 204 O GLU A 13 3.970 -15.135 0.154 1.00 42.13 O ATOM 205 CB GLU A 13 6.548 -16.449 -1.442 1.00 14.34 C ATOM 206 CG GLU A 13 7.097 -17.247 -2.639 1.00 24.10 C ATOM 207 CD GLU A 13 6.112 -18.287 -3.205 1.00 23.12 C ATOM 208 OE1 GLU A 13 5.263 -17.933 -4.047 1.00 34.35 O ATOM 209 OE2 GLU A 13 6.187 -19.463 -2.812 1.00 54.45 O ATOM 0 H GLU A 13 6.797 -14.529 -2.978 1.00 42.25 H new ATOM 0 HA GLU A 13 4.538 -16.087 -2.137 1.00 1.35 H new ATOM 0 HB2 GLU A 13 7.361 -15.866 -1.009 1.00 14.34 H new ATOM 0 HB3 GLU A 13 6.216 -17.151 -0.677 1.00 14.34 H new ATOM 0 HG2 GLU A 13 7.369 -16.551 -3.432 1.00 24.10 H new ATOM 0 HG3 GLU A 13 8.011 -17.756 -2.334 1.00 24.10 H new ATOM 216 N LEU A 14 5.612 -13.602 -0.222 1.00 42.31 N ATOM 217 CA LEU A 14 5.260 -12.722 0.910 1.00 54.31 C ATOM 218 C LEU A 14 3.956 -11.948 0.623 1.00 72.10 C ATOM 219 O LEU A 14 3.206 -11.663 1.559 1.00 10.24 O ATOM 220 CB LEU A 14 6.418 -11.742 1.243 1.00 12.34 C ATOM 221 CG LEU A 14 6.139 -10.690 2.375 1.00 24.41 C ATOM 222 CD1 LEU A 14 5.687 -11.351 3.704 1.00 3.21 C ATOM 223 CD2 LEU A 14 7.359 -9.775 2.587 1.00 11.54 C ATOM 0 H LEU A 14 6.420 -13.283 -0.756 1.00 42.31 H new ATOM 0 HA LEU A 14 5.096 -13.355 1.782 1.00 54.31 H new ATOM 0 HB2 LEU A 14 7.290 -12.329 1.530 1.00 12.34 H new ATOM 0 HB3 LEU A 14 6.682 -11.203 0.333 1.00 12.34 H new ATOM 0 HG LEU A 14 5.305 -10.074 2.039 1.00 24.41 H new ATOM 0 HD11 LEU A 14 5.508 -10.579 4.452 1.00 3.21 H new ATOM 0 HD12 LEU A 14 4.769 -11.914 3.536 1.00 3.21 H new ATOM 0 HD13 LEU A 14 6.467 -12.025 4.058 1.00 3.21 H new ATOM 0 HD21 LEU A 14 7.141 -9.055 3.376 1.00 11.54 H new ATOM 0 HD22 LEU A 14 8.221 -10.378 2.874 1.00 11.54 H new ATOM 0 HD23 LEU A 14 7.580 -9.243 1.662 1.00 11.54 H new ATOM 235 N ILE A 15 3.686 -11.629 -0.673 1.00 53.44 N ATOM 236 CA ILE A 15 2.405 -11.006 -1.098 1.00 25.24 C ATOM 237 C ILE A 15 1.221 -11.846 -0.561 1.00 62.55 C ATOM 238 O ILE A 15 0.300 -11.305 0.034 1.00 62.22 O ATOM 239 CB ILE A 15 2.270 -10.843 -2.674 1.00 2.22 C ATOM 240 CG1 ILE A 15 3.414 -9.955 -3.268 1.00 25.43 C ATOM 241 CG2 ILE A 15 0.882 -10.257 -3.053 1.00 23.32 C ATOM 242 CD1 ILE A 15 3.372 -9.766 -4.782 1.00 2.52 C ATOM 0 H ILE A 15 4.339 -11.794 -1.439 1.00 53.44 H new ATOM 0 HA ILE A 15 2.391 -10.000 -0.679 1.00 25.24 H new ATOM 0 HB ILE A 15 2.362 -11.838 -3.109 1.00 2.22 H new ATOM 0 HG12 ILE A 15 3.373 -8.974 -2.794 1.00 25.43 H new ATOM 0 HG13 ILE A 15 4.373 -10.399 -3.000 1.00 25.43 H new ATOM 0 HG21 ILE A 15 0.814 -10.155 -4.136 1.00 23.32 H new ATOM 0 HG22 ILE A 15 0.096 -10.926 -2.701 1.00 23.32 H new ATOM 0 HG23 ILE A 15 0.761 -9.279 -2.588 1.00 23.32 H new ATOM 0 HD11 ILE A 15 4.206 -9.136 -5.093 1.00 2.52 H new ATOM 0 HD12 ILE A 15 3.448 -10.737 -5.272 1.00 2.52 H new ATOM 0 HD13 ILE A 15 2.433 -9.290 -5.063 1.00 2.52 H new ATOM 254 N LYS A 16 1.338 -13.187 -0.716 1.00 42.05 N ATOM 255 CA LYS A 16 0.327 -14.178 -0.270 1.00 24.41 C ATOM 256 C LYS A 16 0.098 -14.119 1.256 1.00 34.24 C ATOM 257 O LYS A 16 -1.040 -14.217 1.729 1.00 35.13 O ATOM 258 CB LYS A 16 0.787 -15.608 -0.657 1.00 44.05 C ATOM 259 CG LYS A 16 1.048 -15.807 -2.157 1.00 74.14 C ATOM 260 CD LYS A 16 1.545 -17.230 -2.488 1.00 3.02 C ATOM 261 CE LYS A 16 1.810 -17.424 -3.983 1.00 54.43 C ATOM 262 NZ LYS A 16 2.834 -16.478 -4.487 1.00 22.05 N ATOM 0 H LYS A 16 2.149 -13.617 -1.161 1.00 42.05 H new ATOM 0 HA LYS A 16 -0.612 -13.933 -0.766 1.00 24.41 H new ATOM 0 HB2 LYS A 16 1.698 -15.844 -0.108 1.00 44.05 H new ATOM 0 HB3 LYS A 16 0.027 -16.320 -0.335 1.00 44.05 H new ATOM 0 HG2 LYS A 16 0.131 -15.608 -2.711 1.00 74.14 H new ATOM 0 HG3 LYS A 16 1.788 -15.080 -2.493 1.00 74.14 H new ATOM 0 HD2 LYS A 16 2.460 -17.431 -1.931 1.00 3.02 H new ATOM 0 HD3 LYS A 16 0.804 -17.957 -2.156 1.00 3.02 H new ATOM 0 HE2 LYS A 16 2.140 -18.447 -4.164 1.00 54.43 H new ATOM 0 HE3 LYS A 16 0.882 -17.285 -4.538 1.00 54.43 H new ATOM 0 HZ1 LYS A 16 2.842 -16.496 -5.527 1.00 22.05 H new ATOM 0 HZ2 LYS A 16 2.610 -15.517 -4.159 1.00 22.05 H new ATOM 0 HZ3 LYS A 16 3.770 -16.756 -4.129 1.00 22.05 H new ATOM 276 N LYS A 17 1.206 -13.982 2.006 1.00 43.35 N ATOM 277 CA LYS A 17 1.192 -13.905 3.481 1.00 22.23 C ATOM 278 C LYS A 17 0.493 -12.618 3.957 1.00 71.02 C ATOM 279 O LYS A 17 -0.292 -12.624 4.916 1.00 42.04 O ATOM 280 CB LYS A 17 2.642 -13.968 4.013 1.00 75.24 C ATOM 281 CG LYS A 17 3.382 -15.281 3.668 1.00 12.11 C ATOM 282 CD LYS A 17 4.861 -15.263 4.114 1.00 63.31 C ATOM 283 CE LYS A 17 5.026 -15.047 5.631 1.00 24.53 C ATOM 284 NZ LYS A 17 6.453 -15.021 6.041 1.00 22.13 N ATOM 0 H LYS A 17 2.142 -13.921 1.605 1.00 43.35 H new ATOM 0 HA LYS A 17 0.629 -14.752 3.875 1.00 22.23 H new ATOM 0 HB2 LYS A 17 3.204 -13.128 3.605 1.00 75.24 H new ATOM 0 HB3 LYS A 17 2.626 -13.846 5.096 1.00 75.24 H new ATOM 0 HG2 LYS A 17 2.872 -16.118 4.146 1.00 12.11 H new ATOM 0 HG3 LYS A 17 3.333 -15.450 2.592 1.00 12.11 H new ATOM 0 HD2 LYS A 17 5.332 -16.205 3.833 1.00 63.31 H new ATOM 0 HD3 LYS A 17 5.387 -14.472 3.580 1.00 63.31 H new ATOM 0 HE2 LYS A 17 4.550 -14.109 5.917 1.00 24.53 H new ATOM 0 HE3 LYS A 17 4.510 -15.843 6.168 1.00 24.53 H new ATOM 0 HZ1 LYS A 17 6.652 -15.834 6.658 1.00 22.13 H new ATOM 0 HZ2 LYS A 17 7.058 -15.071 5.196 1.00 22.13 H new ATOM 0 HZ3 LYS A 17 6.650 -14.139 6.556 1.00 22.13 H new ATOM 298 N ILE A 18 0.767 -11.518 3.247 1.00 71.03 N ATOM 299 CA ILE A 18 0.127 -10.226 3.509 1.00 23.42 C ATOM 300 C ILE A 18 -1.373 -10.337 3.189 1.00 33.31 C ATOM 301 O ILE A 18 -2.191 -9.907 3.983 1.00 64.20 O ATOM 302 CB ILE A 18 0.828 -9.058 2.710 1.00 14.14 C ATOM 303 CG1 ILE A 18 2.346 -9.001 3.103 1.00 20.20 C ATOM 304 CG2 ILE A 18 0.128 -7.692 2.960 1.00 11.13 C ATOM 305 CD1 ILE A 18 3.163 -7.938 2.415 1.00 53.31 C ATOM 0 H ILE A 18 1.436 -11.499 2.478 1.00 71.03 H new ATOM 0 HA ILE A 18 0.239 -9.973 4.563 1.00 23.42 H new ATOM 0 HB ILE A 18 0.743 -9.262 1.643 1.00 14.14 H new ATOM 0 HG12 ILE A 18 2.417 -8.847 4.180 1.00 20.20 H new ATOM 0 HG13 ILE A 18 2.794 -9.972 2.889 1.00 20.20 H new ATOM 0 HG21 ILE A 18 0.638 -6.913 2.394 1.00 11.13 H new ATOM 0 HG22 ILE A 18 -0.912 -7.752 2.639 1.00 11.13 H new ATOM 0 HG23 ILE A 18 0.166 -7.453 4.023 1.00 11.13 H new ATOM 0 HD11 ILE A 18 4.195 -7.991 2.762 1.00 53.31 H new ATOM 0 HD12 ILE A 18 3.134 -8.098 1.337 1.00 53.31 H new ATOM 0 HD13 ILE A 18 2.752 -6.956 2.648 1.00 53.31 H new ATOM 317 N LYS A 19 -1.709 -11.045 2.076 1.00 5.23 N ATOM 318 CA LYS A 19 -3.106 -11.245 1.621 1.00 51.32 C ATOM 319 C LYS A 19 -3.970 -11.891 2.722 1.00 3.12 C ATOM 320 O LYS A 19 -5.025 -11.360 3.064 1.00 53.52 O ATOM 321 CB LYS A 19 -3.187 -12.121 0.333 1.00 63.45 C ATOM 322 CG LYS A 19 -2.624 -11.475 -0.951 1.00 22.41 C ATOM 323 CD LYS A 19 -3.090 -12.206 -2.229 1.00 32.40 C ATOM 324 CE LYS A 19 -2.576 -11.544 -3.509 1.00 70.22 C ATOM 325 NZ LYS A 19 -3.212 -12.106 -4.727 1.00 11.13 N ATOM 0 H LYS A 19 -1.018 -11.491 1.473 1.00 5.23 H new ATOM 0 HA LYS A 19 -3.493 -10.252 1.392 1.00 51.32 H new ATOM 0 HB2 LYS A 19 -2.651 -13.052 0.515 1.00 63.45 H new ATOM 0 HB3 LYS A 19 -4.231 -12.383 0.159 1.00 63.45 H new ATOM 0 HG2 LYS A 19 -2.937 -10.432 -0.997 1.00 22.41 H new ATOM 0 HG3 LYS A 19 -1.535 -11.479 -0.910 1.00 22.41 H new ATOM 0 HD2 LYS A 19 -2.747 -13.240 -2.197 1.00 32.40 H new ATOM 0 HD3 LYS A 19 -4.179 -12.232 -2.251 1.00 32.40 H new ATOM 0 HE2 LYS A 19 -2.767 -10.472 -3.463 1.00 70.22 H new ATOM 0 HE3 LYS A 19 -1.496 -11.672 -3.573 1.00 70.22 H new ATOM 0 HZ1 LYS A 19 -2.503 -12.632 -5.278 1.00 11.13 H new ATOM 0 HZ2 LYS A 19 -3.982 -12.748 -4.452 1.00 11.13 H new ATOM 0 HZ3 LYS A 19 -3.596 -11.333 -5.306 1.00 11.13 H new ATOM 339 N LYS A 20 -3.487 -13.023 3.291 1.00 14.31 N ATOM 340 CA LYS A 20 -4.227 -13.764 4.331 1.00 2.42 C ATOM 341 C LYS A 20 -4.343 -12.943 5.629 1.00 3.30 C ATOM 342 O LYS A 20 -5.346 -13.045 6.333 1.00 11.14 O ATOM 343 CB LYS A 20 -3.642 -15.200 4.552 1.00 63.00 C ATOM 344 CG LYS A 20 -2.126 -15.309 4.857 1.00 40.24 C ATOM 345 CD LYS A 20 -1.725 -14.958 6.313 1.00 11.24 C ATOM 346 CE LYS A 20 -2.301 -15.914 7.357 1.00 74.41 C ATOM 347 NZ LYS A 20 -1.779 -15.622 8.710 1.00 74.12 N ATOM 0 H LYS A 20 -2.589 -13.439 3.044 1.00 14.31 H new ATOM 0 HA LYS A 20 -5.246 -13.915 3.975 1.00 2.42 H new ATOM 0 HB2 LYS A 20 -4.186 -15.663 5.375 1.00 63.00 H new ATOM 0 HB3 LYS A 20 -3.850 -15.790 3.660 1.00 63.00 H new ATOM 0 HG2 LYS A 20 -1.799 -16.326 4.641 1.00 40.24 H new ATOM 0 HG3 LYS A 20 -1.585 -14.650 4.178 1.00 40.24 H new ATOM 0 HD2 LYS A 20 -0.638 -14.961 6.392 1.00 11.24 H new ATOM 0 HD3 LYS A 20 -2.058 -13.945 6.538 1.00 11.24 H new ATOM 0 HE2 LYS A 20 -3.388 -15.837 7.361 1.00 74.41 H new ATOM 0 HE3 LYS A 20 -2.056 -16.941 7.086 1.00 74.41 H new ATOM 0 HZ1 LYS A 20 -2.386 -16.077 9.422 1.00 74.12 H new ATOM 0 HZ2 LYS A 20 -0.810 -15.990 8.795 1.00 74.12 H new ATOM 0 HZ3 LYS A 20 -1.774 -14.594 8.866 1.00 74.12 H new ATOM 361 N GLU A 21 -3.321 -12.104 5.921 1.00 71.54 N ATOM 362 CA GLU A 21 -3.378 -11.138 7.040 1.00 3.11 C ATOM 363 C GLU A 21 -4.510 -10.113 6.839 1.00 5.34 C ATOM 364 O GLU A 21 -5.221 -9.783 7.781 1.00 54.04 O ATOM 365 CB GLU A 21 -2.015 -10.418 7.217 1.00 23.24 C ATOM 366 CG GLU A 21 -0.945 -11.275 7.914 1.00 5.13 C ATOM 367 CD GLU A 21 -1.374 -11.694 9.328 1.00 50.01 C ATOM 368 OE1 GLU A 21 -1.577 -10.809 10.169 1.00 70.24 O ATOM 369 OE2 GLU A 21 -1.545 -12.895 9.591 1.00 30.44 O ATOM 0 H GLU A 21 -2.447 -12.078 5.396 1.00 71.54 H new ATOM 0 HA GLU A 21 -3.592 -11.699 7.950 1.00 3.11 H new ATOM 0 HB2 GLU A 21 -1.644 -10.117 6.237 1.00 23.24 H new ATOM 0 HB3 GLU A 21 -2.169 -9.506 7.794 1.00 23.24 H new ATOM 0 HG2 GLU A 21 -0.748 -12.165 7.316 1.00 5.13 H new ATOM 0 HG3 GLU A 21 -0.012 -10.715 7.969 1.00 5.13 H new ATOM 376 N VAL A 22 -4.673 -9.651 5.592 1.00 32.34 N ATOM 377 CA VAL A 22 -5.735 -8.702 5.197 1.00 15.44 C ATOM 378 C VAL A 22 -7.128 -9.357 5.307 1.00 40.14 C ATOM 379 O VAL A 22 -8.118 -8.686 5.603 1.00 24.54 O ATOM 380 CB VAL A 22 -5.498 -8.202 3.731 1.00 1.22 C ATOM 381 CG1 VAL A 22 -6.573 -7.189 3.263 1.00 1.51 C ATOM 382 CG2 VAL A 22 -4.093 -7.603 3.600 1.00 3.42 C ATOM 0 H VAL A 22 -4.068 -9.925 4.818 1.00 32.34 H new ATOM 0 HA VAL A 22 -5.698 -7.851 5.877 1.00 15.44 H new ATOM 0 HB VAL A 22 -5.583 -9.069 3.076 1.00 1.22 H new ATOM 0 HG11 VAL A 22 -6.358 -6.877 2.241 1.00 1.51 H new ATOM 0 HG12 VAL A 22 -7.556 -7.658 3.300 1.00 1.51 H new ATOM 0 HG13 VAL A 22 -6.562 -6.318 3.918 1.00 1.51 H new ATOM 0 HG21 VAL A 22 -3.938 -7.259 2.578 1.00 3.42 H new ATOM 0 HG22 VAL A 22 -3.991 -6.762 4.286 1.00 3.42 H new ATOM 0 HG23 VAL A 22 -3.350 -8.362 3.844 1.00 3.42 H new ATOM 392 N GLU A 23 -7.170 -10.685 5.075 1.00 2.01 N ATOM 393 CA GLU A 23 -8.394 -11.500 5.214 1.00 5.42 C ATOM 394 C GLU A 23 -8.730 -11.728 6.704 1.00 74.15 C ATOM 395 O GLU A 23 -9.902 -11.850 7.059 1.00 4.42 O ATOM 396 CB GLU A 23 -8.241 -12.853 4.472 1.00 52.23 C ATOM 397 CG GLU A 23 -7.981 -12.729 2.963 1.00 31.41 C ATOM 398 CD GLU A 23 -7.882 -14.100 2.280 1.00 1.53 C ATOM 399 OE1 GLU A 23 -8.941 -14.708 2.014 1.00 51.54 O ATOM 400 OE2 GLU A 23 -6.755 -14.567 1.994 1.00 2.45 O ATOM 0 H GLU A 23 -6.354 -11.224 4.785 1.00 2.01 H new ATOM 0 HA GLU A 23 -9.220 -10.955 4.757 1.00 5.42 H new ATOM 0 HB2 GLU A 23 -7.420 -13.410 4.924 1.00 52.23 H new ATOM 0 HB3 GLU A 23 -9.146 -13.440 4.624 1.00 52.23 H new ATOM 0 HG2 GLU A 23 -8.784 -12.153 2.503 1.00 31.41 H new ATOM 0 HG3 GLU A 23 -7.057 -12.175 2.799 1.00 31.41 H new ATOM 407 N ASN A 24 -7.685 -11.757 7.571 1.00 45.23 N ATOM 408 CA ASN A 24 -7.857 -11.798 9.046 1.00 61.04 C ATOM 409 C ASN A 24 -8.473 -10.473 9.544 1.00 1.05 C ATOM 410 O ASN A 24 -9.189 -10.450 10.548 1.00 41.21 O ATOM 411 CB ASN A 24 -6.503 -12.059 9.794 1.00 21.15 C ATOM 412 CG ASN A 24 -6.040 -13.521 9.760 1.00 20.55 C ATOM 413 OD1 ASN A 24 -6.501 -14.342 10.552 1.00 71.30 O ATOM 414 ND2 ASN A 24 -5.093 -13.853 8.902 1.00 63.11 N ATOM 0 H ASN A 24 -6.710 -11.753 7.271 1.00 45.23 H new ATOM 0 HA ASN A 24 -8.526 -12.629 9.269 1.00 61.04 H new ATOM 0 HB2 ASN A 24 -5.729 -11.434 9.350 1.00 21.15 H new ATOM 0 HB3 ASN A 24 -6.608 -11.747 10.833 1.00 21.15 H new ATOM 0 HD21 ASN A 24 -4.730 -14.806 8.887 1.00 63.11 H new ATOM 0 HD22 ASN A 24 -4.725 -13.157 8.254 1.00 63.11 H new ATOM 421 N GLN A 25 -8.167 -9.369 8.832 1.00 62.41 N ATOM 422 CA GLN A 25 -8.713 -8.026 9.134 1.00 51.21 C ATOM 423 C GLN A 25 -10.102 -7.851 8.459 1.00 55.32 C ATOM 424 O GLN A 25 -10.937 -7.072 8.920 1.00 44.22 O ATOM 425 CB GLN A 25 -7.735 -6.922 8.635 1.00 15.34 C ATOM 426 CG GLN A 25 -6.252 -7.127 9.035 1.00 72.00 C ATOM 427 CD GLN A 25 -5.990 -7.212 10.541 1.00 1.02 C ATOM 428 OE1 GLN A 25 -6.675 -6.585 11.352 1.00 53.11 O ATOM 429 NE2 GLN A 25 -4.995 -8.008 10.933 1.00 13.23 N ATOM 0 H GLN A 25 -7.535 -9.381 8.032 1.00 62.41 H new ATOM 0 HA GLN A 25 -8.829 -7.930 10.214 1.00 51.21 H new ATOM 0 HB2 GLN A 25 -7.798 -6.867 7.548 1.00 15.34 H new ATOM 0 HB3 GLN A 25 -8.070 -5.960 9.022 1.00 15.34 H new ATOM 0 HG2 GLN A 25 -5.889 -8.042 8.567 1.00 72.00 H new ATOM 0 HG3 GLN A 25 -5.665 -6.305 8.626 1.00 72.00 H new ATOM 0 HE21 GLN A 25 -4.444 -8.515 10.240 1.00 13.23 H new ATOM 0 HE22 GLN A 25 -4.784 -8.110 11.926 1.00 13.23 H new ATOM 438 N GLY A 26 -10.309 -8.578 7.333 1.00 34.12 N ATOM 439 CA GLY A 26 -11.586 -8.603 6.600 1.00 70.52 C ATOM 440 C GLY A 26 -11.745 -7.465 5.579 1.00 12.25 C ATOM 441 O GLY A 26 -12.855 -6.971 5.371 1.00 15.04 O ATOM 0 H GLY A 26 -9.588 -9.164 6.911 1.00 34.12 H new ATOM 0 HA2 GLY A 26 -11.676 -9.557 6.081 1.00 70.52 H new ATOM 0 HA3 GLY A 26 -12.405 -8.551 7.317 1.00 70.52 H new ATOM 445 N TYR A 27 -10.627 -7.044 4.955 1.00 61.53 N ATOM 446 CA TYR A 27 -10.611 -5.984 3.907 1.00 51.21 C ATOM 447 C TYR A 27 -10.557 -6.620 2.511 1.00 71.11 C ATOM 448 O TYR A 27 -10.233 -7.812 2.377 1.00 62.42 O ATOM 449 CB TYR A 27 -9.384 -5.040 4.099 1.00 51.43 C ATOM 450 CG TYR A 27 -9.453 -4.099 5.313 1.00 61.35 C ATOM 451 CD1 TYR A 27 -9.793 -4.573 6.583 1.00 74.42 C ATOM 452 CD2 TYR A 27 -9.165 -2.734 5.188 1.00 71.02 C ATOM 453 CE1 TYR A 27 -9.847 -3.731 7.674 1.00 74.40 C ATOM 454 CE2 TYR A 27 -9.214 -1.897 6.278 1.00 41.02 C ATOM 455 CZ TYR A 27 -9.557 -2.398 7.518 1.00 62.10 C ATOM 456 OH TYR A 27 -9.580 -1.563 8.616 1.00 45.13 O ATOM 0 H TYR A 27 -9.703 -7.426 5.159 1.00 61.53 H new ATOM 0 HA TYR A 27 -11.525 -5.398 4.001 1.00 51.21 H new ATOM 0 HB2 TYR A 27 -8.487 -5.653 4.188 1.00 51.43 H new ATOM 0 HB3 TYR A 27 -9.269 -4.435 3.199 1.00 51.43 H new ATOM 0 HD1 TYR A 27 -10.018 -5.621 6.713 1.00 74.42 H new ATOM 0 HD2 TYR A 27 -8.900 -2.333 4.221 1.00 71.02 H new ATOM 0 HE1 TYR A 27 -10.116 -4.118 8.646 1.00 74.40 H new ATOM 0 HE2 TYR A 27 -8.984 -0.848 6.164 1.00 41.02 H new ATOM 0 HH TYR A 27 -8.803 -1.748 9.184 1.00 45.13 H new ATOM 466 N GLN A 28 -10.837 -5.805 1.472 1.00 13.41 N ATOM 467 CA GLN A 28 -10.804 -6.251 0.070 1.00 12.24 C ATOM 468 C GLN A 28 -9.340 -6.328 -0.359 1.00 61.13 C ATOM 469 O GLN A 28 -8.657 -5.299 -0.417 1.00 64.52 O ATOM 470 CB GLN A 28 -11.585 -5.280 -0.879 1.00 24.45 C ATOM 471 CG GLN A 28 -13.061 -5.007 -0.488 1.00 31.41 C ATOM 472 CD GLN A 28 -13.225 -3.943 0.611 1.00 61.11 C ATOM 473 OE1 GLN A 28 -13.213 -4.247 1.805 1.00 5.21 O ATOM 474 NE2 GLN A 28 -13.396 -2.693 0.219 1.00 63.01 N ATOM 0 H GLN A 28 -11.091 -4.824 1.585 1.00 13.41 H new ATOM 0 HA GLN A 28 -11.291 -7.223 -0.004 1.00 12.24 H new ATOM 0 HB2 GLN A 28 -11.054 -4.328 -0.913 1.00 24.45 H new ATOM 0 HB3 GLN A 28 -11.565 -5.692 -1.888 1.00 24.45 H new ATOM 0 HG2 GLN A 28 -13.609 -4.688 -1.375 1.00 31.41 H new ATOM 0 HG3 GLN A 28 -13.516 -5.938 -0.150 1.00 31.41 H new ATOM 0 HE21 GLN A 28 -13.402 -2.467 -0.776 1.00 63.01 H new ATOM 0 HE22 GLN A 28 -13.522 -1.954 0.911 1.00 63.01 H new ATOM 483 N VAL A 29 -8.864 -7.553 -0.616 1.00 41.41 N ATOM 484 CA VAL A 29 -7.480 -7.806 -1.026 1.00 55.13 C ATOM 485 C VAL A 29 -7.339 -7.550 -2.537 1.00 72.04 C ATOM 486 O VAL A 29 -7.755 -8.377 -3.357 1.00 35.21 O ATOM 487 CB VAL A 29 -7.024 -9.282 -0.698 1.00 0.13 C ATOM 488 CG1 VAL A 29 -5.511 -9.448 -0.964 1.00 23.43 C ATOM 489 CG2 VAL A 29 -7.394 -9.693 0.748 1.00 1.14 C ATOM 0 H VAL A 29 -9.431 -8.398 -0.545 1.00 41.41 H new ATOM 0 HA VAL A 29 -6.838 -7.128 -0.463 1.00 55.13 H new ATOM 0 HB VAL A 29 -7.565 -9.955 -1.362 1.00 0.13 H new ATOM 0 HG11 VAL A 29 -5.211 -10.470 -0.734 1.00 23.43 H new ATOM 0 HG12 VAL A 29 -5.300 -9.236 -2.012 1.00 23.43 H new ATOM 0 HG13 VAL A 29 -4.953 -8.755 -0.334 1.00 23.43 H new ATOM 0 HG21 VAL A 29 -7.062 -10.715 0.932 1.00 1.14 H new ATOM 0 HG22 VAL A 29 -6.906 -9.021 1.454 1.00 1.14 H new ATOM 0 HG23 VAL A 29 -8.475 -9.633 0.878 1.00 1.14 H new ATOM 499 N ARG A 30 -6.792 -6.387 -2.896 1.00 72.43 N ATOM 500 CA ARG A 30 -6.539 -6.014 -4.295 1.00 52.34 C ATOM 501 C ARG A 30 -5.037 -5.845 -4.511 1.00 73.32 C ATOM 502 O ARG A 30 -4.453 -4.905 -3.991 1.00 41.01 O ATOM 503 CB ARG A 30 -7.277 -4.691 -4.637 1.00 12.22 C ATOM 504 CG ARG A 30 -8.819 -4.766 -4.615 1.00 63.43 C ATOM 505 CD ARG A 30 -9.389 -5.840 -5.577 1.00 71.34 C ATOM 506 NE ARG A 30 -8.753 -5.836 -6.920 1.00 71.45 N ATOM 507 CZ ARG A 30 -8.761 -4.825 -7.814 1.00 3.01 C ATOM 508 NH1 ARG A 30 -9.386 -3.677 -7.556 1.00 44.12 N ATOM 509 NH2 ARG A 30 -8.110 -4.960 -8.955 1.00 12.14 N ATOM 0 H ARG A 30 -6.510 -5.673 -2.225 1.00 72.43 H new ATOM 0 HA ARG A 30 -6.913 -6.801 -4.950 1.00 52.34 H new ATOM 0 HB2 ARG A 30 -6.958 -3.924 -3.931 1.00 12.22 H new ATOM 0 HB3 ARG A 30 -6.960 -4.364 -5.628 1.00 12.22 H new ATOM 0 HG2 ARG A 30 -9.152 -4.983 -3.600 1.00 63.43 H new ATOM 0 HG3 ARG A 30 -9.228 -3.792 -4.884 1.00 63.43 H new ATOM 0 HD2 ARG A 30 -9.260 -6.824 -5.126 1.00 71.34 H new ATOM 0 HD3 ARG A 30 -10.461 -5.680 -5.692 1.00 71.34 H new ATOM 0 HE ARG A 30 -8.259 -6.685 -7.195 1.00 71.45 H new ATOM 0 HH11 ARG A 30 -9.871 -3.549 -6.668 1.00 44.12 H new ATOM 0 HH12 ARG A 30 -9.379 -2.926 -8.246 1.00 44.12 H new ATOM 0 HH21 ARG A 30 -7.606 -5.824 -9.155 1.00 12.14 H new ATOM 0 HH22 ARG A 30 -8.111 -4.200 -9.636 1.00 12.14 H new ATOM 523 N ASP A 31 -4.403 -6.768 -5.246 1.00 52.32 N ATOM 524 CA ASP A 31 -2.987 -6.633 -5.633 1.00 21.03 C ATOM 525 C ASP A 31 -2.922 -6.166 -7.099 1.00 74.35 C ATOM 526 O ASP A 31 -3.411 -6.843 -8.012 1.00 61.53 O ATOM 527 CB ASP A 31 -2.201 -7.966 -5.408 1.00 25.33 C ATOM 528 CG ASP A 31 -2.720 -9.149 -6.243 1.00 52.43 C ATOM 529 OD1 ASP A 31 -3.840 -9.628 -5.967 1.00 11.31 O ATOM 530 OD2 ASP A 31 -2.017 -9.604 -7.181 1.00 65.31 O ATOM 0 H ASP A 31 -4.848 -7.620 -5.587 1.00 52.32 H new ATOM 0 HA ASP A 31 -2.504 -5.889 -4.999 1.00 21.03 H new ATOM 0 HB2 ASP A 31 -1.150 -7.800 -5.646 1.00 25.33 H new ATOM 0 HB3 ASP A 31 -2.251 -8.231 -4.352 1.00 25.33 H new ATOM 535 N VAL A 32 -2.371 -4.967 -7.296 1.00 72.02 N ATOM 536 CA VAL A 32 -2.127 -4.387 -8.616 1.00 15.31 C ATOM 537 C VAL A 32 -0.725 -4.801 -9.087 1.00 74.32 C ATOM 538 O VAL A 32 0.283 -4.508 -8.429 1.00 62.10 O ATOM 539 CB VAL A 32 -2.257 -2.820 -8.554 1.00 52.14 C ATOM 540 CG1 VAL A 32 -1.983 -2.160 -9.921 1.00 34.32 C ATOM 541 CG2 VAL A 32 -3.646 -2.402 -8.016 1.00 13.22 C ATOM 0 H VAL A 32 -2.077 -4.362 -6.529 1.00 72.02 H new ATOM 0 HA VAL A 32 -2.868 -4.755 -9.326 1.00 15.31 H new ATOM 0 HB VAL A 32 -1.494 -2.464 -7.862 1.00 52.14 H new ATOM 0 HG11 VAL A 32 -2.084 -1.079 -9.830 1.00 34.32 H new ATOM 0 HG12 VAL A 32 -0.972 -2.404 -10.246 1.00 34.32 H new ATOM 0 HG13 VAL A 32 -2.699 -2.531 -10.654 1.00 34.32 H new ATOM 0 HG21 VAL A 32 -3.711 -1.314 -7.983 1.00 13.22 H new ATOM 0 HG22 VAL A 32 -4.423 -2.792 -8.673 1.00 13.22 H new ATOM 0 HG23 VAL A 32 -3.784 -2.805 -7.013 1.00 13.22 H new ATOM 551 N ASN A 33 -0.680 -5.505 -10.222 1.00 50.13 N ATOM 552 CA ASN A 33 0.570 -5.923 -10.893 1.00 43.42 C ATOM 553 C ASN A 33 0.655 -5.253 -12.280 1.00 64.12 C ATOM 554 O ASN A 33 1.687 -5.314 -12.951 1.00 34.01 O ATOM 555 CB ASN A 33 0.620 -7.476 -11.048 1.00 40.42 C ATOM 556 CG ASN A 33 0.426 -8.267 -9.739 1.00 60.23 C ATOM 557 OD1 ASN A 33 -0.120 -9.373 -9.751 1.00 65.40 O ATOM 558 ND2 ASN A 33 0.875 -7.735 -8.603 1.00 53.53 N ATOM 0 H ASN A 33 -1.520 -5.809 -10.714 1.00 50.13 H new ATOM 0 HA ASN A 33 1.418 -5.612 -10.283 1.00 43.42 H new ATOM 0 HB2 ASN A 33 -0.150 -7.781 -11.757 1.00 40.42 H new ATOM 0 HB3 ASN A 33 1.581 -7.752 -11.483 1.00 40.42 H new ATOM 0 HD21 ASN A 33 0.770 -8.244 -7.725 1.00 53.53 H new ATOM 0 HD22 ASN A 33 1.324 -6.819 -8.611 1.00 53.53 H new ATOM 565 N ASP A 34 -0.439 -4.582 -12.674 1.00 31.04 N ATOM 566 CA ASP A 34 -0.628 -4.015 -14.018 1.00 12.11 C ATOM 567 C ASP A 34 -1.100 -2.547 -13.907 1.00 50.33 C ATOM 568 O ASP A 34 -1.901 -2.217 -13.035 1.00 24.12 O ATOM 569 CB ASP A 34 -1.667 -4.899 -14.763 1.00 25.13 C ATOM 570 CG ASP A 34 -2.132 -4.324 -16.111 1.00 51.44 C ATOM 571 OD1 ASP A 34 -1.412 -4.462 -17.114 1.00 4.24 O ATOM 572 OD2 ASP A 34 -3.224 -3.738 -16.170 1.00 44.51 O ATOM 0 H ASP A 34 -1.232 -4.415 -12.055 1.00 31.04 H new ATOM 0 HA ASP A 34 0.307 -4.010 -14.578 1.00 12.11 H new ATOM 0 HB2 ASP A 34 -1.234 -5.885 -14.931 1.00 25.13 H new ATOM 0 HB3 ASP A 34 -2.537 -5.038 -14.121 1.00 25.13 H new ATOM 577 N SER A 35 -0.626 -1.694 -14.830 1.00 64.21 N ATOM 578 CA SER A 35 -0.863 -0.234 -14.800 1.00 1.41 C ATOM 579 C SER A 35 -2.323 0.144 -15.116 1.00 50.50 C ATOM 580 O SER A 35 -2.788 1.218 -14.714 1.00 53.01 O ATOM 581 CB SER A 35 0.095 0.458 -15.796 1.00 74.04 C ATOM 582 OG SER A 35 1.443 0.099 -15.546 1.00 3.32 O ATOM 0 H SER A 35 -0.063 -1.996 -15.625 1.00 64.21 H new ATOM 0 HA SER A 35 -0.667 0.109 -13.784 1.00 1.41 H new ATOM 0 HB2 SER A 35 -0.174 0.181 -16.815 1.00 74.04 H new ATOM 0 HB3 SER A 35 -0.016 1.540 -15.719 1.00 74.04 H new ATOM 0 HG SER A 35 2.027 0.550 -16.192 1.00 3.32 H new ATOM 588 N ASP A 36 -3.043 -0.732 -15.842 1.00 10.42 N ATOM 589 CA ASP A 36 -4.450 -0.480 -16.200 1.00 55.12 C ATOM 590 C ASP A 36 -5.360 -0.841 -15.018 1.00 1.33 C ATOM 591 O ASP A 36 -6.396 -0.215 -14.828 1.00 3.10 O ATOM 592 CB ASP A 36 -4.869 -1.256 -17.472 1.00 53.43 C ATOM 593 CG ASP A 36 -6.244 -0.807 -18.004 1.00 5.45 C ATOM 594 OD1 ASP A 36 -6.299 0.155 -18.789 1.00 13.44 O ATOM 595 OD2 ASP A 36 -7.276 -1.418 -17.655 1.00 73.54 O ATOM 0 H ASP A 36 -2.674 -1.617 -16.191 1.00 10.42 H new ATOM 0 HA ASP A 36 -4.557 0.581 -16.424 1.00 55.12 H new ATOM 0 HB2 ASP A 36 -4.117 -1.111 -18.248 1.00 53.43 H new ATOM 0 HB3 ASP A 36 -4.898 -2.323 -17.251 1.00 53.43 H new ATOM 600 N GLU A 37 -4.947 -1.837 -14.211 1.00 2.10 N ATOM 601 CA GLU A 37 -5.677 -2.233 -12.988 1.00 15.43 C ATOM 602 C GLU A 37 -5.910 -1.040 -12.047 1.00 24.34 C ATOM 603 O GLU A 37 -7.048 -0.785 -11.640 1.00 45.21 O ATOM 604 CB GLU A 37 -4.923 -3.362 -12.237 1.00 70.11 C ATOM 605 CG GLU A 37 -5.078 -4.755 -12.862 1.00 13.22 C ATOM 606 CD GLU A 37 -6.531 -5.261 -12.828 1.00 4.42 C ATOM 607 OE1 GLU A 37 -7.035 -5.560 -11.721 1.00 41.21 O ATOM 608 OE2 GLU A 37 -7.174 -5.350 -13.890 1.00 24.02 O ATOM 0 H GLU A 37 -4.105 -2.387 -14.385 1.00 2.10 H new ATOM 0 HA GLU A 37 -6.651 -2.605 -13.304 1.00 15.43 H new ATOM 0 HB2 GLU A 37 -3.863 -3.111 -12.199 1.00 70.11 H new ATOM 0 HB3 GLU A 37 -5.280 -3.398 -11.208 1.00 70.11 H new ATOM 0 HG2 GLU A 37 -4.731 -4.726 -13.895 1.00 13.22 H new ATOM 0 HG3 GLU A 37 -4.439 -5.461 -12.331 1.00 13.22 H new ATOM 615 N LEU A 38 -4.828 -0.286 -11.758 1.00 25.54 N ATOM 616 CA LEU A 38 -4.866 0.795 -10.764 1.00 62.31 C ATOM 617 C LEU A 38 -5.852 1.908 -11.175 1.00 54.13 C ATOM 618 O LEU A 38 -6.615 2.378 -10.340 1.00 12.10 O ATOM 619 CB LEU A 38 -3.429 1.341 -10.467 1.00 53.22 C ATOM 620 CG LEU A 38 -2.643 2.115 -11.601 1.00 11.13 C ATOM 621 CD1 LEU A 38 -2.984 3.624 -11.653 1.00 3.03 C ATOM 622 CD2 LEU A 38 -1.119 1.929 -11.459 1.00 73.02 C ATOM 0 H LEU A 38 -3.919 -0.411 -12.203 1.00 25.54 H new ATOM 0 HA LEU A 38 -5.244 0.380 -9.829 1.00 62.31 H new ATOM 0 HB2 LEU A 38 -3.503 2.007 -9.607 1.00 53.22 H new ATOM 0 HB3 LEU A 38 -2.814 0.494 -10.162 1.00 53.22 H new ATOM 0 HG LEU A 38 -2.972 1.672 -12.541 1.00 11.13 H new ATOM 0 HD11 LEU A 38 -2.413 4.099 -12.451 1.00 3.03 H new ATOM 0 HD12 LEU A 38 -4.050 3.750 -11.845 1.00 3.03 H new ATOM 0 HD13 LEU A 38 -2.730 4.088 -10.700 1.00 3.03 H new ATOM 0 HD21 LEU A 38 -0.610 2.474 -12.254 1.00 73.02 H new ATOM 0 HD22 LEU A 38 -0.794 2.312 -10.491 1.00 73.02 H new ATOM 0 HD23 LEU A 38 -0.874 0.869 -11.531 1.00 73.02 H new ATOM 634 N LYS A 39 -5.878 2.273 -12.482 1.00 33.34 N ATOM 635 CA LYS A 39 -6.719 3.386 -12.966 1.00 61.51 C ATOM 636 C LYS A 39 -8.215 3.033 -12.826 1.00 14.31 C ATOM 637 O LYS A 39 -9.025 3.892 -12.504 1.00 10.35 O ATOM 638 CB LYS A 39 -6.375 3.776 -14.442 1.00 23.44 C ATOM 639 CG LYS A 39 -6.857 2.777 -15.517 1.00 60.42 C ATOM 640 CD LYS A 39 -6.489 3.180 -16.961 1.00 41.03 C ATOM 641 CE LYS A 39 -4.976 3.262 -17.208 1.00 34.21 C ATOM 642 NZ LYS A 39 -4.666 3.528 -18.640 1.00 30.13 N ATOM 0 H LYS A 39 -5.330 1.815 -13.210 1.00 33.34 H new ATOM 0 HA LYS A 39 -6.506 4.255 -12.344 1.00 61.51 H new ATOM 0 HB2 LYS A 39 -6.812 4.752 -14.654 1.00 23.44 H new ATOM 0 HB3 LYS A 39 -5.294 3.885 -14.529 1.00 23.44 H new ATOM 0 HG2 LYS A 39 -6.430 1.797 -15.305 1.00 60.42 H new ATOM 0 HG3 LYS A 39 -7.940 2.676 -15.444 1.00 60.42 H new ATOM 0 HD2 LYS A 39 -6.923 2.458 -17.653 1.00 41.03 H new ATOM 0 HD3 LYS A 39 -6.939 4.147 -17.185 1.00 41.03 H new ATOM 0 HE2 LYS A 39 -4.549 4.052 -16.590 1.00 34.21 H new ATOM 0 HE3 LYS A 39 -4.506 2.328 -16.901 1.00 34.21 H new ATOM 0 HZ1 LYS A 39 -3.635 3.577 -18.769 1.00 30.13 H new ATOM 0 HZ2 LYS A 39 -5.052 2.761 -19.227 1.00 30.13 H new ATOM 0 HZ3 LYS A 39 -5.094 4.432 -18.926 1.00 30.13 H new ATOM 656 N LYS A 40 -8.532 1.732 -13.022 1.00 22.41 N ATOM 657 CA LYS A 40 -9.901 1.190 -12.930 1.00 63.04 C ATOM 658 C LYS A 40 -10.484 1.386 -11.516 1.00 70.53 C ATOM 659 O LYS A 40 -11.598 1.903 -11.355 1.00 63.23 O ATOM 660 CB LYS A 40 -9.890 -0.325 -13.281 1.00 74.24 C ATOM 661 CG LYS A 40 -9.492 -0.666 -14.736 1.00 62.24 C ATOM 662 CD LYS A 40 -9.267 -2.188 -14.958 1.00 75.32 C ATOM 663 CE LYS A 40 -10.512 -3.050 -14.671 1.00 31.23 C ATOM 664 NZ LYS A 40 -11.668 -2.660 -15.519 1.00 12.04 N ATOM 0 H LYS A 40 -7.834 1.024 -13.251 1.00 22.41 H new ATOM 0 HA LYS A 40 -10.529 1.730 -13.639 1.00 63.04 H new ATOM 0 HB2 LYS A 40 -9.201 -0.832 -12.605 1.00 74.24 H new ATOM 0 HB3 LYS A 40 -10.883 -0.732 -13.089 1.00 74.24 H new ATOM 0 HG2 LYS A 40 -10.272 -0.316 -15.413 1.00 62.24 H new ATOM 0 HG3 LYS A 40 -8.580 -0.127 -14.994 1.00 62.24 H new ATOM 0 HD2 LYS A 40 -8.953 -2.353 -15.989 1.00 75.32 H new ATOM 0 HD3 LYS A 40 -8.450 -2.522 -14.318 1.00 75.32 H new ATOM 0 HE2 LYS A 40 -10.274 -4.100 -14.844 1.00 31.23 H new ATOM 0 HE3 LYS A 40 -10.785 -2.954 -13.620 1.00 31.23 H new ATOM 0 HZ1 LYS A 40 -12.468 -3.297 -15.330 1.00 12.04 H new ATOM 0 HZ2 LYS A 40 -11.945 -1.682 -15.300 1.00 12.04 H new ATOM 0 HZ3 LYS A 40 -11.401 -2.727 -16.522 1.00 12.04 H new ATOM 678 N GLU A 41 -9.685 0.996 -10.502 1.00 74.45 N ATOM 679 CA GLU A 41 -10.118 0.983 -9.095 1.00 43.23 C ATOM 680 C GLU A 41 -9.993 2.372 -8.436 1.00 13.34 C ATOM 681 O GLU A 41 -10.755 2.671 -7.517 1.00 33.22 O ATOM 682 CB GLU A 41 -9.370 -0.131 -8.310 1.00 42.23 C ATOM 683 CG GLU A 41 -7.823 -0.086 -8.386 1.00 43.20 C ATOM 684 CD GLU A 41 -7.165 -1.453 -8.113 1.00 34.21 C ATOM 685 OE1 GLU A 41 -6.900 -1.781 -6.939 1.00 2.43 O ATOM 686 OE2 GLU A 41 -6.951 -2.222 -9.083 1.00 41.22 O ATOM 0 H GLU A 41 -8.724 0.682 -10.638 1.00 74.45 H new ATOM 0 HA GLU A 41 -11.181 0.744 -9.066 1.00 43.23 H new ATOM 0 HB2 GLU A 41 -9.665 -0.072 -7.262 1.00 42.23 H new ATOM 0 HB3 GLU A 41 -9.705 -1.099 -8.682 1.00 42.23 H new ATOM 0 HG2 GLU A 41 -7.524 0.264 -9.374 1.00 43.20 H new ATOM 0 HG3 GLU A 41 -7.451 0.641 -7.664 1.00 43.20 H new ATOM 693 N MET A 42 -9.061 3.225 -8.935 1.00 3.54 N ATOM 694 CA MET A 42 -8.971 4.656 -8.521 1.00 71.12 C ATOM 695 C MET A 42 -10.258 5.398 -8.915 1.00 22.01 C ATOM 696 O MET A 42 -10.764 6.249 -8.169 1.00 31.45 O ATOM 697 CB MET A 42 -7.743 5.383 -9.152 1.00 43.33 C ATOM 698 CG MET A 42 -6.361 4.937 -8.638 1.00 31.52 C ATOM 699 SD MET A 42 -6.161 5.112 -6.847 1.00 1.11 S ATOM 700 CE MET A 42 -6.417 3.433 -6.248 1.00 62.41 C ATOM 0 H MET A 42 -8.361 2.950 -9.624 1.00 3.54 H new ATOM 0 HA MET A 42 -8.843 4.668 -7.439 1.00 71.12 H new ATOM 0 HB2 MET A 42 -7.773 5.235 -10.232 1.00 43.33 H new ATOM 0 HB3 MET A 42 -7.848 6.453 -8.974 1.00 43.33 H new ATOM 0 HG2 MET A 42 -6.200 3.895 -8.913 1.00 31.52 H new ATOM 0 HG3 MET A 42 -5.590 5.522 -9.140 1.00 31.52 H new ATOM 0 HE1 MET A 42 -6.425 3.433 -5.158 1.00 62.41 H new ATOM 0 HE2 MET A 42 -7.371 3.056 -6.618 1.00 62.41 H new ATOM 0 HE3 MET A 42 -5.611 2.792 -6.605 1.00 62.41 H new ATOM 710 N LYS A 43 -10.774 5.053 -10.112 1.00 44.55 N ATOM 711 CA LYS A 43 -12.040 5.589 -10.620 1.00 52.14 C ATOM 712 C LYS A 43 -13.227 5.017 -9.819 1.00 70.40 C ATOM 713 O LYS A 43 -14.103 5.770 -9.426 1.00 42.11 O ATOM 714 CB LYS A 43 -12.178 5.307 -12.145 1.00 4.22 C ATOM 715 CG LYS A 43 -11.153 6.089 -13.003 1.00 2.24 C ATOM 716 CD LYS A 43 -11.238 5.779 -14.516 1.00 60.43 C ATOM 717 CE LYS A 43 -10.156 6.523 -15.323 1.00 51.24 C ATOM 718 NZ LYS A 43 -10.279 6.307 -16.791 1.00 22.55 N ATOM 0 H LYS A 43 -10.321 4.396 -10.748 1.00 44.55 H new ATOM 0 HA LYS A 43 -12.046 6.671 -10.486 1.00 52.14 H new ATOM 0 HB2 LYS A 43 -12.053 4.239 -12.324 1.00 4.22 H new ATOM 0 HB3 LYS A 43 -13.186 5.568 -12.467 1.00 4.22 H new ATOM 0 HG2 LYS A 43 -11.307 7.157 -12.852 1.00 2.24 H new ATOM 0 HG3 LYS A 43 -10.148 5.859 -12.651 1.00 2.24 H new ATOM 0 HD2 LYS A 43 -11.132 4.705 -14.672 1.00 60.43 H new ATOM 0 HD3 LYS A 43 -12.224 6.059 -14.888 1.00 60.43 H new ATOM 0 HE2 LYS A 43 -10.221 7.590 -15.111 1.00 51.24 H new ATOM 0 HE3 LYS A 43 -9.171 6.192 -14.993 1.00 51.24 H new ATOM 0 HZ1 LYS A 43 -9.527 6.830 -17.283 1.00 22.55 H new ATOM 0 HZ2 LYS A 43 -10.190 5.292 -17.001 1.00 22.55 H new ATOM 0 HZ3 LYS A 43 -11.207 6.647 -17.115 1.00 22.55 H new ATOM 732 N LYS A 44 -13.201 3.682 -9.540 1.00 52.25 N ATOM 733 CA LYS A 44 -14.247 2.969 -8.734 1.00 53.35 C ATOM 734 C LYS A 44 -14.472 3.629 -7.352 1.00 31.13 C ATOM 735 O LYS A 44 -15.598 3.624 -6.830 1.00 53.43 O ATOM 736 CB LYS A 44 -13.873 1.464 -8.534 1.00 44.25 C ATOM 737 CG LYS A 44 -14.154 0.545 -9.744 1.00 53.15 C ATOM 738 CD LYS A 44 -15.668 0.424 -10.053 1.00 11.21 C ATOM 739 CE LYS A 44 -15.978 -0.581 -11.179 1.00 14.22 C ATOM 740 NZ LYS A 44 -15.368 -0.191 -12.479 1.00 10.24 N ATOM 0 H LYS A 44 -12.456 3.066 -9.866 1.00 52.25 H new ATOM 0 HA LYS A 44 -15.175 3.041 -9.301 1.00 53.35 H new ATOM 0 HB2 LYS A 44 -12.813 1.400 -8.289 1.00 44.25 H new ATOM 0 HB3 LYS A 44 -14.422 1.082 -7.674 1.00 44.25 H new ATOM 0 HG2 LYS A 44 -13.637 0.934 -10.621 1.00 53.15 H new ATOM 0 HG3 LYS A 44 -13.745 -0.446 -9.547 1.00 53.15 H new ATOM 0 HD2 LYS A 44 -16.194 0.120 -9.148 1.00 11.21 H new ATOM 0 HD3 LYS A 44 -16.055 1.404 -10.332 1.00 11.21 H new ATOM 0 HE2 LYS A 44 -15.612 -1.567 -10.892 1.00 14.22 H new ATOM 0 HE3 LYS A 44 -17.058 -0.664 -11.299 1.00 14.22 H new ATOM 0 HZ1 LYS A 44 -15.607 -0.900 -13.201 1.00 10.24 H new ATOM 0 HZ2 LYS A 44 -15.735 0.737 -12.770 1.00 10.24 H new ATOM 0 HZ3 LYS A 44 -14.335 -0.137 -12.375 1.00 10.24 H new ATOM 754 N LEU A 45 -13.378 4.172 -6.774 1.00 63.23 N ATOM 755 CA LEU A 45 -13.413 4.945 -5.519 1.00 44.24 C ATOM 756 C LEU A 45 -14.367 6.152 -5.637 1.00 52.32 C ATOM 757 O LEU A 45 -15.225 6.362 -4.777 1.00 63.15 O ATOM 758 CB LEU A 45 -11.984 5.443 -5.154 1.00 63.24 C ATOM 759 CG LEU A 45 -10.916 4.356 -4.830 1.00 64.43 C ATOM 760 CD1 LEU A 45 -9.532 4.995 -4.583 1.00 74.30 C ATOM 761 CD2 LEU A 45 -11.351 3.480 -3.637 1.00 3.23 C ATOM 0 H LEU A 45 -12.442 4.084 -7.170 1.00 63.23 H new ATOM 0 HA LEU A 45 -13.781 4.288 -4.731 1.00 44.24 H new ATOM 0 HB2 LEU A 45 -11.613 6.045 -5.984 1.00 63.24 H new ATOM 0 HB3 LEU A 45 -12.066 6.105 -4.292 1.00 63.24 H new ATOM 0 HG LEU A 45 -10.831 3.704 -5.700 1.00 64.43 H new ATOM 0 HD11 LEU A 45 -8.805 4.214 -4.359 1.00 74.30 H new ATOM 0 HD12 LEU A 45 -9.218 5.538 -5.474 1.00 74.30 H new ATOM 0 HD13 LEU A 45 -9.595 5.684 -3.741 1.00 74.30 H new ATOM 0 HD21 LEU A 45 -10.584 2.732 -3.437 1.00 3.23 H new ATOM 0 HD22 LEU A 45 -11.486 4.107 -2.755 1.00 3.23 H new ATOM 0 HD23 LEU A 45 -12.291 2.982 -3.875 1.00 3.23 H new ATOM 773 N ALA A 46 -14.203 6.909 -6.734 1.00 23.35 N ATOM 774 CA ALA A 46 -14.952 8.151 -7.003 1.00 74.22 C ATOM 775 C ALA A 46 -16.297 7.880 -7.718 1.00 63.23 C ATOM 776 O ALA A 46 -17.174 8.752 -7.733 1.00 63.10 O ATOM 777 CB ALA A 46 -14.065 9.105 -7.826 1.00 10.43 C ATOM 0 H ALA A 46 -13.538 6.674 -7.470 1.00 23.35 H new ATOM 0 HA ALA A 46 -15.203 8.617 -6.050 1.00 74.22 H new ATOM 0 HB1 ALA A 46 -14.612 10.026 -8.029 1.00 10.43 H new ATOM 0 HB2 ALA A 46 -13.160 9.337 -7.264 1.00 10.43 H new ATOM 0 HB3 ALA A 46 -13.795 8.628 -8.768 1.00 10.43 H new ATOM 783 N GLU A 47 -16.450 6.675 -8.310 1.00 52.44 N ATOM 784 CA GLU A 47 -17.699 6.263 -8.987 1.00 63.11 C ATOM 785 C GLU A 47 -18.770 5.927 -7.943 1.00 74.52 C ATOM 786 O GLU A 47 -19.880 6.464 -7.985 1.00 35.23 O ATOM 787 CB GLU A 47 -17.461 5.042 -9.935 1.00 53.14 C ATOM 788 CG GLU A 47 -16.668 5.359 -11.222 1.00 14.25 C ATOM 789 CD GLU A 47 -17.332 6.436 -12.095 1.00 3.12 C ATOM 790 OE1 GLU A 47 -18.339 6.135 -12.759 1.00 65.21 O ATOM 791 OE2 GLU A 47 -16.853 7.583 -12.123 1.00 4.43 O ATOM 0 H GLU A 47 -15.717 5.966 -8.332 1.00 52.44 H new ATOM 0 HA GLU A 47 -18.043 7.095 -9.601 1.00 63.11 H new ATOM 0 HB2 GLU A 47 -16.930 4.269 -9.380 1.00 53.14 H new ATOM 0 HB3 GLU A 47 -18.428 4.625 -10.216 1.00 53.14 H new ATOM 0 HG2 GLU A 47 -15.665 5.688 -10.951 1.00 14.25 H new ATOM 0 HG3 GLU A 47 -16.556 4.446 -11.806 1.00 14.25 H new ATOM 798 N GLU A 48 -18.416 5.042 -6.998 1.00 24.10 N ATOM 799 CA GLU A 48 -19.318 4.642 -5.913 1.00 3.33 C ATOM 800 C GLU A 48 -19.275 5.703 -4.804 1.00 70.52 C ATOM 801 O GLU A 48 -18.200 6.224 -4.475 1.00 63.21 O ATOM 802 CB GLU A 48 -18.925 3.240 -5.379 1.00 74.11 C ATOM 803 CG GLU A 48 -18.832 2.137 -6.460 1.00 14.22 C ATOM 804 CD GLU A 48 -20.144 1.932 -7.241 1.00 51.51 C ATOM 805 OE1 GLU A 48 -21.040 1.215 -6.744 1.00 62.33 O ATOM 806 OE2 GLU A 48 -20.295 2.507 -8.340 1.00 40.20 O ATOM 0 H GLU A 48 -17.503 4.588 -6.966 1.00 24.10 H new ATOM 0 HA GLU A 48 -20.340 4.574 -6.286 1.00 3.33 H new ATOM 0 HB2 GLU A 48 -17.962 3.316 -4.874 1.00 74.11 H new ATOM 0 HB3 GLU A 48 -19.655 2.934 -4.630 1.00 74.11 H new ATOM 0 HG2 GLU A 48 -18.037 2.392 -7.161 1.00 14.22 H new ATOM 0 HG3 GLU A 48 -18.550 1.197 -5.986 1.00 14.22 H new ATOM 813 N LYS A 49 -20.456 6.027 -4.260 1.00 22.20 N ATOM 814 CA LYS A 49 -20.636 7.113 -3.284 1.00 22.22 C ATOM 815 C LYS A 49 -20.170 6.686 -1.880 1.00 31.42 C ATOM 816 O LYS A 49 -19.383 7.390 -1.245 1.00 31.25 O ATOM 817 CB LYS A 49 -22.131 7.539 -3.245 1.00 23.13 C ATOM 818 CG LYS A 49 -22.454 8.683 -2.251 1.00 62.03 C ATOM 819 CD LYS A 49 -23.972 8.992 -2.174 1.00 32.02 C ATOM 820 CE LYS A 49 -24.803 7.791 -1.684 1.00 43.54 C ATOM 821 NZ LYS A 49 -26.264 8.078 -1.688 1.00 5.32 N ATOM 0 H LYS A 49 -21.322 5.538 -4.487 1.00 22.20 H new ATOM 0 HA LYS A 49 -20.024 7.959 -3.596 1.00 22.22 H new ATOM 0 HB2 LYS A 49 -22.432 7.850 -4.245 1.00 23.13 H new ATOM 0 HB3 LYS A 49 -22.735 6.670 -2.986 1.00 23.13 H new ATOM 0 HG2 LYS A 49 -22.091 8.412 -1.260 1.00 62.03 H new ATOM 0 HG3 LYS A 49 -21.918 9.583 -2.552 1.00 62.03 H new ATOM 0 HD2 LYS A 49 -24.132 9.836 -1.504 1.00 32.02 H new ATOM 0 HD3 LYS A 49 -24.327 9.295 -3.159 1.00 32.02 H new ATOM 0 HE2 LYS A 49 -24.602 6.929 -2.320 1.00 43.54 H new ATOM 0 HE3 LYS A 49 -24.490 7.522 -0.675 1.00 43.54 H new ATOM 0 HZ1 LYS A 49 -26.783 7.242 -1.351 1.00 5.32 H new ATOM 0 HZ2 LYS A 49 -26.461 8.884 -1.061 1.00 5.32 H new ATOM 0 HZ3 LYS A 49 -26.570 8.309 -2.655 1.00 5.32 H new ATOM 835 N ASN A 50 -20.655 5.524 -1.414 1.00 15.14 N ATOM 836 CA ASN A 50 -20.415 5.050 -0.038 1.00 1.10 C ATOM 837 C ASN A 50 -20.182 3.531 -0.021 1.00 12.42 C ATOM 838 O ASN A 50 -21.037 2.765 -0.472 1.00 0.20 O ATOM 839 CB ASN A 50 -21.613 5.442 0.873 1.00 52.22 C ATOM 840 CG ASN A 50 -21.543 4.834 2.280 1.00 50.23 C ATOM 841 OD1 ASN A 50 -22.164 3.806 2.562 1.00 74.02 O ATOM 842 ND2 ASN A 50 -20.757 5.431 3.160 1.00 45.52 N ATOM 0 H ASN A 50 -21.222 4.888 -1.975 1.00 15.14 H new ATOM 0 HA ASN A 50 -19.515 5.528 0.349 1.00 1.10 H new ATOM 0 HB2 ASN A 50 -21.653 6.528 0.958 1.00 52.22 H new ATOM 0 HB3 ASN A 50 -22.540 5.125 0.395 1.00 52.22 H new ATOM 0 HD21 ASN A 50 -20.653 5.042 4.097 1.00 45.52 H new ATOM 0 HD22 ASN A 50 -20.254 6.280 2.901 1.00 45.52 H new ATOM 849 N PHE A 51 -19.003 3.135 0.485 1.00 5.24 N ATOM 850 CA PHE A 51 -18.603 1.734 0.691 1.00 43.33 C ATOM 851 C PHE A 51 -17.314 1.713 1.529 1.00 12.13 C ATOM 852 O PHE A 51 -16.621 2.747 1.647 1.00 74.23 O ATOM 853 CB PHE A 51 -18.425 0.958 -0.659 1.00 31.44 C ATOM 854 CG PHE A 51 -17.319 1.458 -1.597 1.00 63.01 C ATOM 855 CD1 PHE A 51 -17.308 2.773 -2.071 1.00 12.41 C ATOM 856 CD2 PHE A 51 -16.304 0.602 -2.033 1.00 41.21 C ATOM 857 CE1 PHE A 51 -16.325 3.210 -2.938 1.00 42.13 C ATOM 858 CE2 PHE A 51 -15.324 1.044 -2.898 1.00 33.40 C ATOM 859 CZ PHE A 51 -15.333 2.347 -3.351 1.00 34.01 C ATOM 0 H PHE A 51 -18.282 3.798 0.770 1.00 5.24 H new ATOM 0 HA PHE A 51 -19.399 1.215 1.225 1.00 43.33 H new ATOM 0 HB2 PHE A 51 -18.228 -0.089 -0.427 1.00 31.44 H new ATOM 0 HB3 PHE A 51 -19.371 0.992 -1.199 1.00 31.44 H new ATOM 0 HD1 PHE A 51 -18.080 3.458 -1.754 1.00 12.41 H new ATOM 0 HD2 PHE A 51 -16.286 -0.421 -1.688 1.00 41.21 H new ATOM 0 HE1 PHE A 51 -16.334 4.230 -3.293 1.00 42.13 H new ATOM 0 HE2 PHE A 51 -14.547 0.367 -3.222 1.00 33.40 H new ATOM 0 HZ PHE A 51 -14.564 2.690 -4.028 1.00 34.01 H new ATOM 869 N GLU A 52 -16.999 0.541 2.095 1.00 63.12 N ATOM 870 CA GLU A 52 -15.858 0.354 3.008 1.00 55.45 C ATOM 871 C GLU A 52 -14.511 0.525 2.281 1.00 4.55 C ATOM 872 O GLU A 52 -14.427 0.425 1.047 1.00 34.45 O ATOM 873 CB GLU A 52 -15.909 -1.034 3.732 1.00 13.41 C ATOM 874 CG GLU A 52 -15.813 -2.294 2.823 1.00 60.13 C ATOM 875 CD GLU A 52 -17.129 -2.669 2.120 1.00 13.30 C ATOM 876 OE1 GLU A 52 -17.417 -2.149 1.029 1.00 43.12 O ATOM 877 OE2 GLU A 52 -17.895 -3.481 2.667 1.00 14.44 O ATOM 0 H GLU A 52 -17.532 -0.313 1.932 1.00 63.12 H new ATOM 0 HA GLU A 52 -15.939 1.134 3.765 1.00 55.45 H new ATOM 0 HB2 GLU A 52 -15.094 -1.072 4.455 1.00 13.41 H new ATOM 0 HB3 GLU A 52 -16.840 -1.091 4.297 1.00 13.41 H new ATOM 0 HG2 GLU A 52 -15.046 -2.125 2.067 1.00 60.13 H new ATOM 0 HG3 GLU A 52 -15.484 -3.139 3.427 1.00 60.13 H new ATOM 884 N LYS A 53 -13.466 0.772 3.086 1.00 21.40 N ATOM 885 CA LYS A 53 -12.098 1.020 2.612 1.00 53.00 C ATOM 886 C LYS A 53 -11.436 -0.259 2.071 1.00 71.00 C ATOM 887 O LYS A 53 -11.725 -1.375 2.526 1.00 35.04 O ATOM 888 CB LYS A 53 -11.258 1.656 3.753 1.00 74.45 C ATOM 889 CG LYS A 53 -11.265 0.886 5.095 1.00 52.34 C ATOM 890 CD LYS A 53 -10.621 1.709 6.238 1.00 62.23 C ATOM 891 CE LYS A 53 -10.891 1.138 7.637 1.00 24.03 C ATOM 892 NZ LYS A 53 -10.266 1.972 8.697 1.00 14.35 N ATOM 0 H LYS A 53 -13.551 0.805 4.102 1.00 21.40 H new ATOM 0 HA LYS A 53 -12.145 1.719 1.777 1.00 53.00 H new ATOM 0 HB2 LYS A 53 -10.227 1.749 3.413 1.00 74.45 H new ATOM 0 HB3 LYS A 53 -11.626 2.666 3.932 1.00 74.45 H new ATOM 0 HG2 LYS A 53 -12.291 0.634 5.363 1.00 52.34 H new ATOM 0 HG3 LYS A 53 -10.726 -0.054 4.977 1.00 52.34 H new ATOM 0 HD2 LYS A 53 -9.544 1.758 6.077 1.00 62.23 H new ATOM 0 HD3 LYS A 53 -10.996 2.731 6.194 1.00 62.23 H new ATOM 0 HE2 LYS A 53 -11.966 1.079 7.806 1.00 24.03 H new ATOM 0 HE3 LYS A 53 -10.503 0.121 7.697 1.00 24.03 H new ATOM 0 HZ1 LYS A 53 -10.875 1.975 9.540 1.00 14.35 H new ATOM 0 HZ2 LYS A 53 -9.335 1.580 8.944 1.00 14.35 H new ATOM 0 HZ3 LYS A 53 -10.150 2.946 8.350 1.00 14.35 H new ATOM 906 N ILE A 54 -10.548 -0.059 1.078 1.00 14.41 N ATOM 907 CA ILE A 54 -9.910 -1.130 0.296 1.00 5.21 C ATOM 908 C ILE A 54 -8.410 -1.160 0.642 1.00 4.31 C ATOM 909 O ILE A 54 -7.810 -0.110 0.919 1.00 25.44 O ATOM 910 CB ILE A 54 -10.085 -0.932 -1.280 1.00 5.43 C ATOM 911 CG1 ILE A 54 -11.577 -0.669 -1.709 1.00 4.32 C ATOM 912 CG2 ILE A 54 -9.524 -2.152 -2.055 1.00 55.33 C ATOM 913 CD1 ILE A 54 -12.100 0.728 -1.396 1.00 50.31 C ATOM 0 H ILE A 54 -10.249 0.874 0.793 1.00 14.41 H new ATOM 0 HA ILE A 54 -10.397 -2.070 0.556 1.00 5.21 H new ATOM 0 HB ILE A 54 -9.514 -0.040 -1.537 1.00 5.43 H new ATOM 0 HG12 ILE A 54 -11.667 -0.843 -2.781 1.00 4.32 H new ATOM 0 HG13 ILE A 54 -12.216 -1.400 -1.213 1.00 4.32 H new ATOM 0 HG21 ILE A 54 -9.654 -1.994 -3.126 1.00 55.33 H new ATOM 0 HG22 ILE A 54 -8.463 -2.268 -1.832 1.00 55.33 H new ATOM 0 HG23 ILE A 54 -10.059 -3.052 -1.753 1.00 55.33 H new ATOM 0 HD11 ILE A 54 -13.135 0.812 -1.728 1.00 50.31 H new ATOM 0 HD12 ILE A 54 -12.049 0.903 -0.321 1.00 50.31 H new ATOM 0 HD13 ILE A 54 -11.491 1.469 -1.914 1.00 50.31 H new ATOM 925 N LEU A 55 -7.815 -2.358 0.622 1.00 23.25 N ATOM 926 CA LEU A 55 -6.384 -2.535 0.832 1.00 73.30 C ATOM 927 C LEU A 55 -5.731 -2.938 -0.497 1.00 34.52 C ATOM 928 O LEU A 55 -6.114 -3.939 -1.115 1.00 14.42 O ATOM 929 CB LEU A 55 -6.131 -3.567 1.968 1.00 54.54 C ATOM 930 CG LEU A 55 -4.625 -3.774 2.391 1.00 42.01 C ATOM 931 CD1 LEU A 55 -4.484 -4.074 3.905 1.00 24.22 C ATOM 932 CD2 LEU A 55 -3.933 -4.864 1.533 1.00 12.44 C ATOM 0 H LEU A 55 -8.318 -3.230 0.459 1.00 23.25 H new ATOM 0 HA LEU A 55 -5.927 -1.601 1.157 1.00 73.30 H new ATOM 0 HB2 LEU A 55 -6.695 -3.256 2.847 1.00 54.54 H new ATOM 0 HB3 LEU A 55 -6.535 -4.529 1.654 1.00 54.54 H new ATOM 0 HG LEU A 55 -4.112 -2.832 2.200 1.00 42.01 H new ATOM 0 HD11 LEU A 55 -3.431 -4.210 4.153 1.00 24.22 H new ATOM 0 HD12 LEU A 55 -4.888 -3.241 4.480 1.00 24.22 H new ATOM 0 HD13 LEU A 55 -5.034 -4.983 4.149 1.00 24.22 H new ATOM 0 HD21 LEU A 55 -2.898 -4.977 1.855 1.00 12.44 H new ATOM 0 HD22 LEU A 55 -4.457 -5.812 1.657 1.00 12.44 H new ATOM 0 HD23 LEU A 55 -3.957 -4.571 0.484 1.00 12.44 H new ATOM 944 N ILE A 56 -4.759 -2.130 -0.926 1.00 25.22 N ATOM 945 CA ILE A 56 -4.008 -2.322 -2.175 1.00 40.13 C ATOM 946 C ILE A 56 -2.595 -2.856 -1.849 1.00 14.42 C ATOM 947 O ILE A 56 -1.923 -2.325 -0.973 1.00 11.32 O ATOM 948 CB ILE A 56 -3.882 -0.961 -2.987 1.00 34.12 C ATOM 949 CG1 ILE A 56 -5.260 -0.211 -3.085 1.00 60.23 C ATOM 950 CG2 ILE A 56 -3.279 -1.192 -4.399 1.00 4.03 C ATOM 951 CD1 ILE A 56 -6.387 -0.992 -3.742 1.00 44.12 C ATOM 0 H ILE A 56 -4.463 -1.304 -0.405 1.00 25.22 H new ATOM 0 HA ILE A 56 -4.549 -3.040 -2.791 1.00 40.13 H new ATOM 0 HB ILE A 56 -3.196 -0.323 -2.430 1.00 34.12 H new ATOM 0 HG12 ILE A 56 -5.574 0.068 -2.079 1.00 60.23 H new ATOM 0 HG13 ILE A 56 -5.111 0.715 -3.641 1.00 60.23 H new ATOM 0 HG21 ILE A 56 -3.208 -0.240 -4.925 1.00 4.03 H new ATOM 0 HG22 ILE A 56 -2.285 -1.629 -4.303 1.00 4.03 H new ATOM 0 HG23 ILE A 56 -3.920 -1.870 -4.962 1.00 4.03 H new ATOM 0 HD11 ILE A 56 -7.291 -0.383 -3.758 1.00 44.12 H new ATOM 0 HD12 ILE A 56 -6.105 -1.249 -4.763 1.00 44.12 H new ATOM 0 HD13 ILE A 56 -6.575 -1.905 -3.177 1.00 44.12 H new ATOM 963 N ILE A 57 -2.178 -3.930 -2.524 1.00 61.12 N ATOM 964 CA ILE A 57 -0.785 -4.421 -2.543 1.00 63.01 C ATOM 965 C ILE A 57 -0.245 -4.182 -3.966 1.00 61.32 C ATOM 966 O ILE A 57 -1.031 -4.116 -4.912 1.00 14.12 O ATOM 967 CB ILE A 57 -0.694 -5.967 -2.167 1.00 72.20 C ATOM 968 CG1 ILE A 57 -1.431 -6.251 -0.815 1.00 32.03 C ATOM 969 CG2 ILE A 57 0.782 -6.463 -2.106 1.00 40.14 C ATOM 970 CD1 ILE A 57 -1.454 -7.713 -0.389 1.00 23.34 C ATOM 0 H ILE A 57 -2.809 -4.500 -3.088 1.00 61.12 H new ATOM 0 HA ILE A 57 -0.194 -3.888 -1.798 1.00 63.01 H new ATOM 0 HB ILE A 57 -1.192 -6.526 -2.959 1.00 72.20 H new ATOM 0 HG12 ILE A 57 -0.953 -5.667 -0.029 1.00 32.03 H new ATOM 0 HG13 ILE A 57 -2.458 -5.896 -0.897 1.00 32.03 H new ATOM 0 HG21 ILE A 57 0.800 -7.522 -1.847 1.00 40.14 H new ATOM 0 HG22 ILE A 57 1.255 -6.319 -3.078 1.00 40.14 H new ATOM 0 HG23 ILE A 57 1.326 -5.895 -1.351 1.00 40.14 H new ATOM 0 HD11 ILE A 57 -1.986 -7.808 0.558 1.00 23.34 H new ATOM 0 HD12 ILE A 57 -1.960 -8.306 -1.151 1.00 23.34 H new ATOM 0 HD13 ILE A 57 -0.432 -8.073 -0.269 1.00 23.34 H new ATOM 982 N SER A 58 1.069 -4.017 -4.119 1.00 44.42 N ATOM 983 CA SER A 58 1.711 -3.911 -5.429 1.00 2.42 C ATOM 984 C SER A 58 3.138 -4.455 -5.339 1.00 44.43 C ATOM 985 O SER A 58 3.811 -4.316 -4.306 1.00 53.31 O ATOM 986 CB SER A 58 1.706 -2.446 -5.935 1.00 42.24 C ATOM 987 OG SER A 58 2.246 -2.353 -7.245 1.00 64.41 O ATOM 0 H SER A 58 1.720 -3.953 -3.336 1.00 44.42 H new ATOM 0 HA SER A 58 1.148 -4.504 -6.150 1.00 2.42 H new ATOM 0 HB2 SER A 58 0.686 -2.061 -5.931 1.00 42.24 H new ATOM 0 HB3 SER A 58 2.285 -1.822 -5.255 1.00 42.24 H new ATOM 0 HG SER A 58 3.049 -1.791 -7.229 1.00 64.41 H new ATOM 993 N ASN A 59 3.571 -5.093 -6.428 1.00 10.32 N ATOM 994 CA ASN A 59 4.908 -5.687 -6.565 1.00 24.24 C ATOM 995 C ASN A 59 5.862 -4.727 -7.304 1.00 10.01 C ATOM 996 O ASN A 59 7.035 -5.059 -7.521 1.00 33.23 O ATOM 997 CB ASN A 59 4.796 -7.063 -7.292 1.00 63.03 C ATOM 998 CG ASN A 59 4.174 -7.005 -8.696 1.00 53.03 C ATOM 999 OD1 ASN A 59 3.364 -6.128 -9.009 1.00 11.03 O ATOM 1000 ND2 ASN A 59 4.527 -7.958 -9.546 1.00 71.11 N ATOM 0 H ASN A 59 2.992 -5.215 -7.259 1.00 10.32 H new ATOM 0 HA ASN A 59 5.330 -5.856 -5.574 1.00 24.24 H new ATOM 0 HB2 ASN A 59 5.792 -7.498 -7.370 1.00 63.03 H new ATOM 0 HB3 ASN A 59 4.201 -7.736 -6.675 1.00 63.03 H new ATOM 0 HD21 ASN A 59 4.127 -7.978 -10.484 1.00 71.11 H new ATOM 0 HD22 ASN A 59 5.199 -8.671 -9.262 1.00 71.11 H new ATOM 1007 N ASP A 60 5.352 -3.522 -7.663 1.00 5.22 N ATOM 1008 CA ASP A 60 6.101 -2.508 -8.421 1.00 50.12 C ATOM 1009 C ASP A 60 5.889 -1.096 -7.817 1.00 31.23 C ATOM 1010 O ASP A 60 4.779 -0.747 -7.400 1.00 71.33 O ATOM 1011 CB ASP A 60 5.662 -2.550 -9.904 1.00 61.32 C ATOM 1012 CG ASP A 60 6.348 -1.472 -10.757 1.00 13.32 C ATOM 1013 OD1 ASP A 60 7.535 -1.630 -11.101 1.00 52.14 O ATOM 1014 OD2 ASP A 60 5.704 -0.463 -11.078 1.00 33.24 O ATOM 0 H ASP A 60 4.402 -3.232 -7.429 1.00 5.22 H new ATOM 0 HA ASP A 60 7.166 -2.731 -8.360 1.00 50.12 H new ATOM 0 HB2 ASP A 60 5.888 -3.533 -10.318 1.00 61.32 H new ATOM 0 HB3 ASP A 60 4.581 -2.420 -9.962 1.00 61.32 H new ATOM 1019 N LYS A 61 6.974 -0.289 -7.805 1.00 42.44 N ATOM 1020 CA LYS A 61 7.009 1.046 -7.164 1.00 63.44 C ATOM 1021 C LYS A 61 6.543 2.179 -8.096 1.00 33.35 C ATOM 1022 O LYS A 61 6.142 3.242 -7.603 1.00 33.41 O ATOM 1023 CB LYS A 61 8.439 1.329 -6.612 1.00 4.54 C ATOM 1024 CG LYS A 61 8.846 0.346 -5.496 1.00 44.54 C ATOM 1025 CD LYS A 61 10.243 0.625 -4.899 1.00 62.22 C ATOM 1026 CE LYS A 61 10.595 -0.375 -3.787 1.00 63.55 C ATOM 1027 NZ LYS A 61 11.930 -0.122 -3.200 1.00 14.32 N ATOM 0 H LYS A 61 7.858 -0.548 -8.244 1.00 42.44 H new ATOM 0 HA LYS A 61 6.296 1.026 -6.339 1.00 63.44 H new ATOM 0 HB2 LYS A 61 9.159 1.266 -7.428 1.00 4.54 H new ATOM 0 HB3 LYS A 61 8.482 2.348 -6.228 1.00 4.54 H new ATOM 0 HG2 LYS A 61 8.105 0.390 -4.698 1.00 44.54 H new ATOM 0 HG3 LYS A 61 8.827 -0.669 -5.894 1.00 44.54 H new ATOM 0 HD2 LYS A 61 10.993 0.571 -5.688 1.00 62.22 H new ATOM 0 HD3 LYS A 61 10.272 1.639 -4.500 1.00 62.22 H new ATOM 0 HE2 LYS A 61 9.840 -0.321 -3.002 1.00 63.55 H new ATOM 0 HE3 LYS A 61 10.565 -1.387 -4.190 1.00 63.55 H new ATOM 0 HZ1 LYS A 61 12.013 -0.629 -2.296 1.00 14.32 H new ATOM 0 HZ2 LYS A 61 12.666 -0.457 -3.854 1.00 14.32 H new ATOM 0 HZ3 LYS A 61 12.050 0.898 -3.037 1.00 14.32 H new ATOM 1041 N GLN A 62 6.597 1.957 -9.429 1.00 21.30 N ATOM 1042 CA GLN A 62 6.096 2.945 -10.418 1.00 61.10 C ATOM 1043 C GLN A 62 4.556 3.057 -10.313 1.00 51.50 C ATOM 1044 O GLN A 62 3.994 4.153 -10.459 1.00 34.52 O ATOM 1045 CB GLN A 62 6.496 2.561 -11.872 1.00 41.22 C ATOM 1046 CG GLN A 62 8.013 2.511 -12.143 1.00 22.30 C ATOM 1047 CD GLN A 62 8.361 2.095 -13.580 1.00 41.44 C ATOM 1048 OE1 GLN A 62 7.645 1.317 -14.212 1.00 11.14 O ATOM 1049 NE2 GLN A 62 9.453 2.618 -14.116 1.00 1.22 N ATOM 0 H GLN A 62 6.980 1.108 -9.845 1.00 21.30 H new ATOM 0 HA GLN A 62 6.555 3.907 -10.188 1.00 61.10 H new ATOM 0 HB2 GLN A 62 6.069 1.585 -12.104 1.00 41.22 H new ATOM 0 HB3 GLN A 62 6.044 3.278 -12.558 1.00 41.22 H new ATOM 0 HG2 GLN A 62 8.443 3.492 -11.942 1.00 22.30 H new ATOM 0 HG3 GLN A 62 8.476 1.811 -11.447 1.00 22.30 H new ATOM 0 HE21 GLN A 62 10.030 3.260 -13.573 1.00 1.22 H new ATOM 0 HE22 GLN A 62 9.717 2.379 -15.072 1.00 1.22 H new ATOM 1058 N LEU A 63 3.898 1.901 -10.026 1.00 61.22 N ATOM 1059 CA LEU A 63 2.433 1.818 -9.833 1.00 1.04 C ATOM 1060 C LEU A 63 2.016 2.628 -8.597 1.00 63.42 C ATOM 1061 O LEU A 63 1.041 3.396 -8.636 1.00 52.33 O ATOM 1062 CB LEU A 63 1.969 0.333 -9.677 1.00 5.11 C ATOM 1063 CG LEU A 63 2.354 -0.629 -10.843 1.00 24.22 C ATOM 1064 CD1 LEU A 63 1.750 -2.033 -10.647 1.00 72.21 C ATOM 1065 CD2 LEU A 63 1.979 -0.035 -12.218 1.00 4.32 C ATOM 0 H LEU A 63 4.373 1.004 -9.923 1.00 61.22 H new ATOM 0 HA LEU A 63 1.952 2.236 -10.717 1.00 1.04 H new ATOM 0 HB2 LEU A 63 2.389 -0.063 -8.752 1.00 5.11 H new ATOM 0 HB3 LEU A 63 0.885 0.322 -9.566 1.00 5.11 H new ATOM 0 HG LEU A 63 3.438 -0.740 -10.824 1.00 24.22 H new ATOM 0 HD11 LEU A 63 2.041 -2.674 -11.480 1.00 72.21 H new ATOM 0 HD12 LEU A 63 2.118 -2.460 -9.714 1.00 72.21 H new ATOM 0 HD13 LEU A 63 0.663 -1.959 -10.608 1.00 72.21 H new ATOM 0 HD21 LEU A 63 2.262 -0.733 -13.006 1.00 4.32 H new ATOM 0 HD22 LEU A 63 0.904 0.140 -12.258 1.00 4.32 H new ATOM 0 HD23 LEU A 63 2.506 0.908 -12.363 1.00 4.32 H new ATOM 1077 N LEU A 64 2.805 2.447 -7.508 1.00 45.53 N ATOM 1078 CA LEU A 64 2.624 3.168 -6.237 1.00 2.13 C ATOM 1079 C LEU A 64 2.690 4.677 -6.471 1.00 4.35 C ATOM 1080 O LEU A 64 1.780 5.390 -6.100 1.00 33.11 O ATOM 1081 CB LEU A 64 3.723 2.793 -5.205 1.00 51.20 C ATOM 1082 CG LEU A 64 3.856 1.293 -4.844 1.00 43.42 C ATOM 1083 CD1 LEU A 64 5.050 1.087 -3.901 1.00 70.43 C ATOM 1084 CD2 LEU A 64 2.551 0.723 -4.238 1.00 23.33 C ATOM 0 H LEU A 64 3.587 1.792 -7.494 1.00 45.53 H new ATOM 0 HA LEU A 64 1.648 2.882 -5.844 1.00 2.13 H new ATOM 0 HB2 LEU A 64 4.683 3.137 -5.590 1.00 51.20 H new ATOM 0 HB3 LEU A 64 3.531 3.348 -4.287 1.00 51.20 H new ATOM 0 HG LEU A 64 4.036 0.738 -5.764 1.00 43.42 H new ATOM 0 HD11 LEU A 64 5.138 0.030 -3.651 1.00 70.43 H new ATOM 0 HD12 LEU A 64 5.964 1.421 -4.393 1.00 70.43 H new ATOM 0 HD13 LEU A 64 4.897 1.664 -2.989 1.00 70.43 H new ATOM 0 HD21 LEU A 64 2.691 -0.332 -4.000 1.00 23.33 H new ATOM 0 HD22 LEU A 64 2.303 1.270 -3.329 1.00 23.33 H new ATOM 0 HD23 LEU A 64 1.739 0.828 -4.958 1.00 23.33 H new ATOM 1096 N LYS A 65 3.757 5.106 -7.178 1.00 53.13 N ATOM 1097 CA LYS A 65 4.167 6.516 -7.285 1.00 71.33 C ATOM 1098 C LYS A 65 3.074 7.357 -7.972 1.00 22.41 C ATOM 1099 O LYS A 65 2.780 8.482 -7.544 1.00 35.31 O ATOM 1100 CB LYS A 65 5.533 6.608 -8.043 1.00 42.14 C ATOM 1101 CG LYS A 65 6.396 7.823 -7.643 1.00 23.10 C ATOM 1102 CD LYS A 65 6.814 7.773 -6.148 1.00 61.51 C ATOM 1103 CE LYS A 65 7.691 8.961 -5.733 1.00 62.33 C ATOM 1104 NZ LYS A 65 8.942 9.028 -6.530 1.00 70.44 N ATOM 0 H LYS A 65 4.364 4.471 -7.696 1.00 53.13 H new ATOM 0 HA LYS A 65 4.301 6.928 -6.285 1.00 71.33 H new ATOM 0 HB2 LYS A 65 6.101 5.696 -7.858 1.00 42.14 H new ATOM 0 HB3 LYS A 65 5.339 6.651 -9.115 1.00 42.14 H new ATOM 0 HG2 LYS A 65 7.288 7.855 -8.268 1.00 23.10 H new ATOM 0 HG3 LYS A 65 5.840 8.741 -7.833 1.00 23.10 H new ATOM 0 HD2 LYS A 65 5.919 7.754 -5.526 1.00 61.51 H new ATOM 0 HD3 LYS A 65 7.354 6.845 -5.958 1.00 61.51 H new ATOM 0 HE2 LYS A 65 7.131 9.888 -5.858 1.00 62.33 H new ATOM 0 HE3 LYS A 65 7.938 8.878 -4.675 1.00 62.33 H new ATOM 0 HZ1 LYS A 65 9.582 9.733 -6.113 1.00 70.44 H new ATOM 0 HZ2 LYS A 65 9.405 8.097 -6.528 1.00 70.44 H new ATOM 0 HZ3 LYS A 65 8.716 9.301 -7.508 1.00 70.44 H new ATOM 1118 N GLU A 66 2.470 6.772 -9.025 1.00 22.25 N ATOM 1119 CA GLU A 66 1.268 7.319 -9.675 1.00 20.14 C ATOM 1120 C GLU A 66 0.084 7.406 -8.683 1.00 2.33 C ATOM 1121 O GLU A 66 -0.495 8.482 -8.495 1.00 63.55 O ATOM 1122 CB GLU A 66 0.866 6.435 -10.886 1.00 1.20 C ATOM 1123 CG GLU A 66 1.914 6.378 -12.016 1.00 23.30 C ATOM 1124 CD GLU A 66 2.094 7.716 -12.754 1.00 13.42 C ATOM 1125 OE1 GLU A 66 1.232 8.065 -13.590 1.00 65.14 O ATOM 1126 OE2 GLU A 66 3.095 8.425 -12.512 1.00 73.01 O ATOM 0 H GLU A 66 2.804 5.906 -9.448 1.00 22.25 H new ATOM 0 HA GLU A 66 1.504 8.326 -10.019 1.00 20.14 H new ATOM 0 HB2 GLU A 66 0.677 5.421 -10.532 1.00 1.20 H new ATOM 0 HB3 GLU A 66 -0.072 6.809 -11.297 1.00 1.20 H new ATOM 0 HG2 GLU A 66 2.872 6.072 -11.597 1.00 23.30 H new ATOM 0 HG3 GLU A 66 1.621 5.612 -12.734 1.00 23.30 H new ATOM 1133 N MET A 67 -0.238 6.261 -8.031 1.00 64.20 N ATOM 1134 CA MET A 67 -1.427 6.136 -7.156 1.00 71.12 C ATOM 1135 C MET A 67 -1.363 7.058 -5.912 1.00 1.14 C ATOM 1136 O MET A 67 -2.400 7.507 -5.442 1.00 31.24 O ATOM 1137 CB MET A 67 -1.659 4.660 -6.728 1.00 21.23 C ATOM 1138 CG MET A 67 -2.215 3.752 -7.830 1.00 50.11 C ATOM 1139 SD MET A 67 -2.640 2.091 -7.235 1.00 72.41 S ATOM 1140 CE MET A 67 -1.035 1.330 -6.963 1.00 4.01 C ATOM 0 H MET A 67 0.315 5.406 -8.097 1.00 64.20 H new ATOM 0 HA MET A 67 -2.277 6.467 -7.753 1.00 71.12 H new ATOM 0 HB2 MET A 67 -0.714 4.245 -6.377 1.00 21.23 H new ATOM 0 HB3 MET A 67 -2.347 4.645 -5.883 1.00 21.23 H new ATOM 0 HG2 MET A 67 -3.102 4.215 -8.261 1.00 50.11 H new ATOM 0 HG3 MET A 67 -1.479 3.668 -8.629 1.00 50.11 H new ATOM 0 HE1 MET A 67 -1.048 0.780 -6.022 1.00 4.01 H new ATOM 0 HE2 MET A 67 -0.814 0.644 -7.781 1.00 4.01 H new ATOM 0 HE3 MET A 67 -0.268 2.103 -6.921 1.00 4.01 H new ATOM 1150 N LEU A 68 -0.150 7.341 -5.399 1.00 54.40 N ATOM 1151 CA LEU A 68 0.058 8.269 -4.258 1.00 71.31 C ATOM 1152 C LEU A 68 -0.492 9.677 -4.578 1.00 34.02 C ATOM 1153 O LEU A 68 -1.029 10.357 -3.702 1.00 11.22 O ATOM 1154 CB LEU A 68 1.566 8.351 -3.887 1.00 60.51 C ATOM 1155 CG LEU A 68 2.234 7.008 -3.443 1.00 65.25 C ATOM 1156 CD1 LEU A 68 3.745 7.184 -3.234 1.00 25.32 C ATOM 1157 CD2 LEU A 68 1.561 6.411 -2.184 1.00 23.23 C ATOM 0 H LEU A 68 0.714 6.937 -5.759 1.00 54.40 H new ATOM 0 HA LEU A 68 -0.492 7.875 -3.403 1.00 71.31 H new ATOM 0 HB2 LEU A 68 2.111 8.739 -4.747 1.00 60.51 H new ATOM 0 HB3 LEU A 68 1.683 9.076 -3.082 1.00 60.51 H new ATOM 0 HG LEU A 68 2.086 6.294 -4.253 1.00 65.25 H new ATOM 0 HD11 LEU A 68 4.183 6.235 -2.926 1.00 25.32 H new ATOM 0 HD12 LEU A 68 4.206 7.510 -4.166 1.00 25.32 H new ATOM 0 HD13 LEU A 68 3.921 7.932 -2.461 1.00 25.32 H new ATOM 0 HD21 LEU A 68 2.058 5.480 -1.913 1.00 23.23 H new ATOM 0 HD22 LEU A 68 1.641 7.118 -1.359 1.00 23.23 H new ATOM 0 HD23 LEU A 68 0.509 6.214 -2.392 1.00 23.23 H new ATOM 1169 N GLU A 69 -0.352 10.079 -5.860 1.00 24.52 N ATOM 1170 CA GLU A 69 -0.832 11.377 -6.379 1.00 24.11 C ATOM 1171 C GLU A 69 -2.332 11.312 -6.740 1.00 61.44 C ATOM 1172 O GLU A 69 -3.061 12.287 -6.536 1.00 20.22 O ATOM 1173 CB GLU A 69 0.005 11.800 -7.617 1.00 3.54 C ATOM 1174 CG GLU A 69 1.505 11.973 -7.319 1.00 71.24 C ATOM 1175 CD GLU A 69 2.308 12.452 -8.535 1.00 15.25 C ATOM 1176 OE1 GLU A 69 2.229 13.651 -8.870 1.00 71.54 O ATOM 1177 OE2 GLU A 69 3.020 11.637 -9.160 1.00 31.22 O ATOM 0 H GLU A 69 0.102 9.505 -6.570 1.00 24.52 H new ATOM 0 HA GLU A 69 -0.708 12.124 -5.595 1.00 24.11 H new ATOM 0 HB2 GLU A 69 -0.117 11.052 -8.400 1.00 3.54 H new ATOM 0 HB3 GLU A 69 -0.389 12.738 -8.008 1.00 3.54 H new ATOM 0 HG2 GLU A 69 1.628 12.688 -6.505 1.00 71.24 H new ATOM 0 HG3 GLU A 69 1.913 11.023 -6.973 1.00 71.24 H new ATOM 1184 N LEU A 70 -2.774 10.145 -7.272 1.00 20.43 N ATOM 1185 CA LEU A 70 -4.177 9.909 -7.696 1.00 4.51 C ATOM 1186 C LEU A 70 -5.141 9.944 -6.491 1.00 22.11 C ATOM 1187 O LEU A 70 -6.109 10.694 -6.482 1.00 31.34 O ATOM 1188 CB LEU A 70 -4.298 8.557 -8.463 1.00 12.01 C ATOM 1189 CG LEU A 70 -3.531 8.481 -9.824 1.00 70.52 C ATOM 1190 CD1 LEU A 70 -3.672 7.090 -10.472 1.00 72.32 C ATOM 1191 CD2 LEU A 70 -3.998 9.597 -10.790 1.00 72.30 C ATOM 0 H LEU A 70 -2.166 9.339 -7.419 1.00 20.43 H new ATOM 0 HA LEU A 70 -4.463 10.715 -8.372 1.00 4.51 H new ATOM 0 HB2 LEU A 70 -3.934 7.759 -7.816 1.00 12.01 H new ATOM 0 HB3 LEU A 70 -5.353 8.359 -8.650 1.00 12.01 H new ATOM 0 HG LEU A 70 -2.473 8.640 -9.615 1.00 70.52 H new ATOM 0 HD11 LEU A 70 -3.127 7.071 -11.416 1.00 72.32 H new ATOM 0 HD12 LEU A 70 -3.263 6.333 -9.802 1.00 72.32 H new ATOM 0 HD13 LEU A 70 -4.725 6.880 -10.657 1.00 72.32 H new ATOM 0 HD21 LEU A 70 -3.448 9.520 -11.728 1.00 72.30 H new ATOM 0 HD22 LEU A 70 -5.065 9.487 -10.985 1.00 72.30 H new ATOM 0 HD23 LEU A 70 -3.810 10.571 -10.338 1.00 72.30 H new ATOM 1203 N ILE A 71 -4.826 9.146 -5.469 1.00 75.41 N ATOM 1204 CA ILE A 71 -5.602 9.062 -4.209 1.00 52.32 C ATOM 1205 C ILE A 71 -5.556 10.414 -3.445 1.00 62.21 C ATOM 1206 O ILE A 71 -6.525 10.796 -2.770 1.00 21.52 O ATOM 1207 CB ILE A 71 -5.042 7.883 -3.322 1.00 64.53 C ATOM 1208 CG1 ILE A 71 -5.111 6.534 -4.115 1.00 64.53 C ATOM 1209 CG2 ILE A 71 -5.792 7.769 -1.971 1.00 62.45 C ATOM 1210 CD1 ILE A 71 -4.342 5.379 -3.497 1.00 73.54 C ATOM 0 H ILE A 71 -4.015 8.527 -5.484 1.00 75.41 H new ATOM 0 HA ILE A 71 -6.646 8.855 -4.443 1.00 52.32 H new ATOM 0 HB ILE A 71 -4.000 8.104 -3.090 1.00 64.53 H new ATOM 0 HG12 ILE A 71 -6.157 6.242 -4.213 1.00 64.53 H new ATOM 0 HG13 ILE A 71 -4.732 6.704 -5.123 1.00 64.53 H new ATOM 0 HG21 ILE A 71 -5.375 6.945 -1.392 1.00 62.45 H new ATOM 0 HG22 ILE A 71 -5.680 8.698 -1.413 1.00 62.45 H new ATOM 0 HG23 ILE A 71 -6.850 7.583 -2.157 1.00 62.45 H new ATOM 0 HD11 ILE A 71 -4.453 4.492 -4.121 1.00 73.54 H new ATOM 0 HD12 ILE A 71 -3.287 5.642 -3.425 1.00 73.54 H new ATOM 0 HD13 ILE A 71 -4.734 5.173 -2.501 1.00 73.54 H new ATOM 1222 N SER A 72 -4.436 11.150 -3.610 1.00 33.43 N ATOM 1223 CA SER A 72 -4.241 12.482 -3.008 1.00 32.00 C ATOM 1224 C SER A 72 -5.180 13.525 -3.657 1.00 13.25 C ATOM 1225 O SER A 72 -5.793 14.335 -2.949 1.00 52.41 O ATOM 1226 CB SER A 72 -2.766 12.916 -3.140 1.00 31.02 C ATOM 1227 OG SER A 72 -2.518 14.156 -2.498 1.00 63.24 O ATOM 0 H SER A 72 -3.641 10.834 -4.166 1.00 33.43 H new ATOM 0 HA SER A 72 -4.492 12.421 -1.949 1.00 32.00 H new ATOM 0 HB2 SER A 72 -2.122 12.149 -2.709 1.00 31.02 H new ATOM 0 HB3 SER A 72 -2.504 12.995 -4.195 1.00 31.02 H new ATOM 0 HG SER A 72 -1.574 14.208 -2.241 1.00 63.24 H new ATOM 1233 N LYS A 73 -5.316 13.486 -5.005 1.00 64.43 N ATOM 1234 CA LYS A 73 -6.210 14.416 -5.733 1.00 0.10 C ATOM 1235 C LYS A 73 -7.686 13.992 -5.595 1.00 32.25 C ATOM 1236 O LYS A 73 -8.584 14.819 -5.769 1.00 25.33 O ATOM 1237 CB LYS A 73 -5.762 14.606 -7.231 1.00 32.41 C ATOM 1238 CG LYS A 73 -5.729 13.352 -8.164 1.00 14.22 C ATOM 1239 CD LYS A 73 -7.116 12.868 -8.685 1.00 11.32 C ATOM 1240 CE LYS A 73 -7.856 13.928 -9.519 1.00 1.41 C ATOM 1241 NZ LYS A 73 -7.142 14.239 -10.779 1.00 3.42 N ATOM 0 H LYS A 73 -4.822 12.826 -5.605 1.00 64.43 H new ATOM 0 HA LYS A 73 -6.123 15.398 -5.268 1.00 0.10 H new ATOM 0 HB2 LYS A 73 -6.427 15.340 -7.686 1.00 32.41 H new ATOM 0 HB3 LYS A 73 -4.763 15.042 -7.226 1.00 32.41 H new ATOM 0 HG2 LYS A 73 -5.096 13.576 -9.022 1.00 14.22 H new ATOM 0 HG3 LYS A 73 -5.256 12.531 -7.624 1.00 14.22 H new ATOM 0 HD2 LYS A 73 -6.977 11.972 -9.290 1.00 11.32 H new ATOM 0 HD3 LYS A 73 -7.737 12.586 -7.835 1.00 11.32 H new ATOM 0 HE2 LYS A 73 -8.860 13.572 -9.749 1.00 1.41 H new ATOM 0 HE3 LYS A 73 -7.968 14.839 -8.931 1.00 1.41 H new ATOM 0 HZ1 LYS A 73 -7.691 14.932 -11.327 1.00 3.42 H new ATOM 0 HZ2 LYS A 73 -6.206 14.635 -10.559 1.00 3.42 H new ATOM 0 HZ3 LYS A 73 -7.028 13.369 -11.337 1.00 3.42 H new ATOM 1255 N LEU A 74 -7.919 12.693 -5.290 1.00 63.12 N ATOM 1256 CA LEU A 74 -9.256 12.168 -4.921 1.00 54.22 C ATOM 1257 C LEU A 74 -9.640 12.673 -3.521 1.00 72.22 C ATOM 1258 O LEU A 74 -10.821 12.829 -3.199 1.00 55.21 O ATOM 1259 CB LEU A 74 -9.262 10.606 -4.939 1.00 53.11 C ATOM 1260 CG LEU A 74 -9.177 9.921 -6.344 1.00 72.00 C ATOM 1261 CD1 LEU A 74 -9.020 8.386 -6.214 1.00 74.11 C ATOM 1262 CD2 LEU A 74 -10.398 10.288 -7.216 1.00 54.40 C ATOM 0 H LEU A 74 -7.188 11.982 -5.293 1.00 63.12 H new ATOM 0 HA LEU A 74 -9.983 12.524 -5.651 1.00 54.22 H new ATOM 0 HB2 LEU A 74 -8.423 10.255 -4.338 1.00 53.11 H new ATOM 0 HB3 LEU A 74 -10.172 10.263 -4.447 1.00 53.11 H new ATOM 0 HG LEU A 74 -8.286 10.300 -6.844 1.00 72.00 H new ATOM 0 HD11 LEU A 74 -8.964 7.941 -7.207 1.00 74.11 H new ATOM 0 HD12 LEU A 74 -8.108 8.159 -5.662 1.00 74.11 H new ATOM 0 HD13 LEU A 74 -9.878 7.976 -5.681 1.00 74.11 H new ATOM 0 HD21 LEU A 74 -10.313 9.798 -8.186 1.00 54.40 H new ATOM 0 HD22 LEU A 74 -11.311 9.957 -6.721 1.00 54.40 H new ATOM 0 HD23 LEU A 74 -10.433 11.368 -7.357 1.00 54.40 H new ATOM 1274 N GLY A 75 -8.607 12.895 -2.688 1.00 63.53 N ATOM 1275 CA GLY A 75 -8.768 13.485 -1.363 1.00 44.41 C ATOM 1276 C GLY A 75 -8.855 12.447 -0.253 1.00 43.03 C ATOM 1277 O GLY A 75 -9.174 12.799 0.888 1.00 45.15 O ATOM 0 H GLY A 75 -7.641 12.668 -2.922 1.00 63.53 H new ATOM 0 HA2 GLY A 75 -7.928 14.151 -1.164 1.00 44.41 H new ATOM 0 HA3 GLY A 75 -9.670 14.097 -1.352 1.00 44.41 H new ATOM 1281 N TYR A 76 -8.563 11.167 -0.574 1.00 63.24 N ATOM 1282 CA TYR A 76 -8.587 10.073 0.419 1.00 62.33 C ATOM 1283 C TYR A 76 -7.273 10.004 1.201 1.00 24.14 C ATOM 1284 O TYR A 76 -6.257 10.588 0.801 1.00 10.35 O ATOM 1285 CB TYR A 76 -8.858 8.706 -0.246 1.00 42.41 C ATOM 1286 CG TYR A 76 -10.189 8.611 -0.990 1.00 3.41 C ATOM 1287 CD1 TYR A 76 -11.394 8.914 -0.354 1.00 71.42 C ATOM 1288 CD2 TYR A 76 -10.244 8.204 -2.324 1.00 4.03 C ATOM 1289 CE1 TYR A 76 -12.595 8.819 -1.026 1.00 43.02 C ATOM 1290 CE2 TYR A 76 -11.441 8.115 -2.988 1.00 40.44 C ATOM 1291 CZ TYR A 76 -12.610 8.424 -2.342 1.00 32.04 C ATOM 1292 OH TYR A 76 -13.803 8.311 -3.012 1.00 33.45 O ATOM 0 H TYR A 76 -8.308 10.867 -1.515 1.00 63.24 H new ATOM 0 HA TYR A 76 -9.402 10.294 1.109 1.00 62.33 H new ATOM 0 HB2 TYR A 76 -8.050 8.491 -0.945 1.00 42.41 H new ATOM 0 HB3 TYR A 76 -8.830 7.932 0.521 1.00 42.41 H new ATOM 0 HD1 TYR A 76 -11.386 9.227 0.679 1.00 71.42 H new ATOM 0 HD2 TYR A 76 -9.329 7.955 -2.842 1.00 4.03 H new ATOM 0 HE1 TYR A 76 -13.520 9.054 -0.520 1.00 43.02 H new ATOM 0 HE2 TYR A 76 -11.463 7.801 -4.021 1.00 40.44 H new ATOM 0 HH TYR A 76 -13.632 8.239 -3.974 1.00 33.45 H new ATOM 1302 N LYS A 77 -7.317 9.246 2.300 1.00 21.52 N ATOM 1303 CA LYS A 77 -6.192 9.078 3.223 1.00 73.14 C ATOM 1304 C LYS A 77 -5.179 8.080 2.636 1.00 4.55 C ATOM 1305 O LYS A 77 -5.496 6.900 2.469 1.00 32.14 O ATOM 1306 CB LYS A 77 -6.740 8.573 4.578 1.00 14.51 C ATOM 1307 CG LYS A 77 -5.743 8.629 5.763 1.00 44.31 C ATOM 1308 CD LYS A 77 -6.378 8.135 7.085 1.00 44.04 C ATOM 1309 CE LYS A 77 -7.727 8.818 7.382 1.00 1.35 C ATOM 1310 NZ LYS A 77 -8.471 8.168 8.490 1.00 61.43 N ATOM 0 H LYS A 77 -8.148 8.724 2.577 1.00 21.52 H new ATOM 0 HA LYS A 77 -5.680 10.028 3.373 1.00 73.14 H new ATOM 0 HB2 LYS A 77 -7.619 9.163 4.837 1.00 14.51 H new ATOM 0 HB3 LYS A 77 -7.073 7.542 4.454 1.00 14.51 H new ATOM 0 HG2 LYS A 77 -4.870 8.018 5.531 1.00 44.31 H new ATOM 0 HG3 LYS A 77 -5.391 9.653 5.891 1.00 44.31 H new ATOM 0 HD2 LYS A 77 -6.524 7.056 7.033 1.00 44.04 H new ATOM 0 HD3 LYS A 77 -5.689 8.324 7.908 1.00 44.04 H new ATOM 0 HE2 LYS A 77 -7.552 9.864 7.633 1.00 1.35 H new ATOM 0 HE3 LYS A 77 -8.341 8.805 6.482 1.00 1.35 H new ATOM 0 HZ1 LYS A 77 -9.289 7.654 8.104 1.00 61.43 H new ATOM 0 HZ2 LYS A 77 -7.845 7.501 8.984 1.00 61.43 H new ATOM 0 HZ3 LYS A 77 -8.801 8.893 9.159 1.00 61.43 H new ATOM 1324 N VAL A 78 -3.979 8.581 2.310 1.00 51.03 N ATOM 1325 CA VAL A 78 -2.898 7.788 1.706 1.00 65.31 C ATOM 1326 C VAL A 78 -2.002 7.191 2.810 1.00 14.53 C ATOM 1327 O VAL A 78 -1.418 7.923 3.622 1.00 10.31 O ATOM 1328 CB VAL A 78 -2.011 8.650 0.719 1.00 53.54 C ATOM 1329 CG1 VAL A 78 -0.894 7.792 0.071 1.00 62.14 C ATOM 1330 CG2 VAL A 78 -2.881 9.339 -0.362 1.00 64.53 C ATOM 0 H VAL A 78 -3.729 9.558 2.460 1.00 51.03 H new ATOM 0 HA VAL A 78 -3.364 6.989 1.129 1.00 65.31 H new ATOM 0 HB VAL A 78 -1.531 9.432 1.308 1.00 53.54 H new ATOM 0 HG11 VAL A 78 -0.302 8.413 -0.602 1.00 62.14 H new ATOM 0 HG12 VAL A 78 -0.250 7.385 0.850 1.00 62.14 H new ATOM 0 HG13 VAL A 78 -1.344 6.974 -0.492 1.00 62.14 H new ATOM 0 HG21 VAL A 78 -2.243 9.924 -1.025 1.00 64.53 H new ATOM 0 HG22 VAL A 78 -3.409 8.582 -0.942 1.00 64.53 H new ATOM 0 HG23 VAL A 78 -3.605 9.997 0.119 1.00 64.53 H new ATOM 1340 N PHE A 79 -1.931 5.861 2.835 1.00 3.33 N ATOM 1341 CA PHE A 79 -0.992 5.098 3.657 1.00 32.22 C ATOM 1342 C PHE A 79 -0.100 4.311 2.687 1.00 73.45 C ATOM 1343 O PHE A 79 -0.603 3.775 1.698 1.00 1.01 O ATOM 1344 CB PHE A 79 -1.782 4.150 4.613 1.00 34.01 C ATOM 1345 CG PHE A 79 -0.959 3.433 5.702 1.00 51.12 C ATOM 1346 CD1 PHE A 79 -0.088 2.384 5.389 1.00 11.25 C ATOM 1347 CD2 PHE A 79 -1.087 3.784 7.048 1.00 54.34 C ATOM 1348 CE1 PHE A 79 0.623 1.725 6.371 1.00 24.15 C ATOM 1349 CE2 PHE A 79 -0.369 3.122 8.031 1.00 15.42 C ATOM 1350 CZ PHE A 79 0.480 2.092 7.691 1.00 11.41 C ATOM 0 H PHE A 79 -2.540 5.269 2.270 1.00 3.33 H new ATOM 0 HA PHE A 79 -0.379 5.745 4.285 1.00 32.22 H new ATOM 0 HB2 PHE A 79 -2.563 4.732 5.103 1.00 34.01 H new ATOM 0 HB3 PHE A 79 -2.281 3.393 4.008 1.00 34.01 H new ATOM 0 HD1 PHE A 79 0.030 2.084 4.358 1.00 11.25 H new ATOM 0 HD2 PHE A 79 -1.756 4.584 7.327 1.00 54.34 H new ATOM 0 HE1 PHE A 79 1.292 0.921 6.104 1.00 24.15 H new ATOM 0 HE2 PHE A 79 -0.475 3.414 9.065 1.00 15.42 H new ATOM 0 HZ PHE A 79 1.033 1.572 8.459 1.00 11.41 H new ATOM 1360 N LEU A 80 1.211 4.251 2.951 1.00 45.34 N ATOM 1361 CA LEU A 80 2.158 3.497 2.118 1.00 44.02 C ATOM 1362 C LEU A 80 3.053 2.636 3.017 1.00 44.32 C ATOM 1363 O LEU A 80 3.947 3.143 3.681 1.00 13.32 O ATOM 1364 CB LEU A 80 3.023 4.450 1.231 1.00 52.34 C ATOM 1365 CG LEU A 80 4.052 3.741 0.273 1.00 63.24 C ATOM 1366 CD1 LEU A 80 3.352 2.865 -0.786 1.00 20.20 C ATOM 1367 CD2 LEU A 80 4.999 4.758 -0.391 1.00 51.33 C ATOM 0 H LEU A 80 1.645 4.722 3.745 1.00 45.34 H new ATOM 0 HA LEU A 80 1.592 2.852 1.445 1.00 44.02 H new ATOM 0 HB2 LEU A 80 2.353 5.062 0.627 1.00 52.34 H new ATOM 0 HB3 LEU A 80 3.571 5.128 1.885 1.00 52.34 H new ATOM 0 HG LEU A 80 4.654 3.078 0.895 1.00 63.24 H new ATOM 0 HD11 LEU A 80 4.102 2.396 -1.424 1.00 20.20 H new ATOM 0 HD12 LEU A 80 2.764 2.093 -0.289 1.00 20.20 H new ATOM 0 HD13 LEU A 80 2.695 3.486 -1.395 1.00 20.20 H new ATOM 0 HD21 LEU A 80 5.695 4.233 -1.045 1.00 51.33 H new ATOM 0 HD22 LEU A 80 4.416 5.469 -0.977 1.00 51.33 H new ATOM 0 HD23 LEU A 80 5.556 5.292 0.378 1.00 51.33 H new ATOM 1379 N LEU A 81 2.760 1.337 3.070 1.00 12.25 N ATOM 1380 CA LEU A 81 3.665 0.331 3.636 1.00 51.41 C ATOM 1381 C LEU A 81 4.625 -0.115 2.516 1.00 53.22 C ATOM 1382 O LEU A 81 4.183 -0.418 1.410 1.00 51.43 O ATOM 1383 CB LEU A 81 2.853 -0.875 4.210 1.00 40.44 C ATOM 1384 CG LEU A 81 3.673 -2.134 4.684 1.00 50.33 C ATOM 1385 CD1 LEU A 81 4.821 -1.754 5.646 1.00 65.31 C ATOM 1386 CD2 LEU A 81 2.736 -3.196 5.320 1.00 0.32 C ATOM 0 H LEU A 81 1.884 0.949 2.720 1.00 12.25 H new ATOM 0 HA LEU A 81 4.236 0.748 4.465 1.00 51.41 H new ATOM 0 HB2 LEU A 81 2.267 -0.516 5.056 1.00 40.44 H new ATOM 0 HB3 LEU A 81 2.146 -1.200 3.447 1.00 40.44 H new ATOM 0 HG LEU A 81 4.134 -2.571 3.798 1.00 50.33 H new ATOM 0 HD11 LEU A 81 5.358 -2.654 5.946 1.00 65.31 H new ATOM 0 HD12 LEU A 81 5.507 -1.073 5.143 1.00 65.31 H new ATOM 0 HD13 LEU A 81 4.409 -1.266 6.529 1.00 65.31 H new ATOM 0 HD21 LEU A 81 3.325 -4.056 5.640 1.00 0.32 H new ATOM 0 HD22 LEU A 81 2.228 -2.763 6.182 1.00 0.32 H new ATOM 0 HD23 LEU A 81 1.997 -3.515 4.586 1.00 0.32 H new ATOM 1398 N LEU A 82 5.930 -0.108 2.794 1.00 24.41 N ATOM 1399 CA LEU A 82 6.952 -0.582 1.855 1.00 3.45 C ATOM 1400 C LEU A 82 7.937 -1.485 2.606 1.00 63.43 C ATOM 1401 O LEU A 82 8.243 -1.243 3.788 1.00 74.15 O ATOM 1402 CB LEU A 82 7.632 0.645 1.134 1.00 30.25 C ATOM 1403 CG LEU A 82 8.245 1.798 2.039 1.00 31.24 C ATOM 1404 CD1 LEU A 82 9.675 1.485 2.531 1.00 33.50 C ATOM 1405 CD2 LEU A 82 8.230 3.165 1.321 1.00 63.03 C ATOM 0 H LEU A 82 6.310 0.227 3.679 1.00 24.41 H new ATOM 0 HA LEU A 82 6.508 -1.185 1.063 1.00 3.45 H new ATOM 0 HB2 LEU A 82 8.430 0.259 0.500 1.00 30.25 H new ATOM 0 HB3 LEU A 82 6.891 1.097 0.474 1.00 30.25 H new ATOM 0 HG LEU A 82 7.597 1.851 2.914 1.00 31.24 H new ATOM 0 HD11 LEU A 82 10.038 2.310 3.144 1.00 33.50 H new ATOM 0 HD12 LEU A 82 9.664 0.570 3.124 1.00 33.50 H new ATOM 0 HD13 LEU A 82 10.334 1.353 1.673 1.00 33.50 H new ATOM 0 HD21 LEU A 82 8.658 3.924 1.975 1.00 63.03 H new ATOM 0 HD22 LEU A 82 8.818 3.102 0.406 1.00 63.03 H new ATOM 0 HD23 LEU A 82 7.203 3.435 1.074 1.00 63.03 H new ATOM 1417 N GLN A 83 8.390 -2.551 1.934 1.00 5.33 N ATOM 1418 CA GLN A 83 9.362 -3.494 2.488 1.00 51.50 C ATOM 1419 C GLN A 83 10.276 -3.979 1.360 1.00 62.55 C ATOM 1420 O GLN A 83 9.826 -4.158 0.216 1.00 32.31 O ATOM 1421 CB GLN A 83 8.649 -4.674 3.252 1.00 51.42 C ATOM 1422 CG GLN A 83 8.287 -5.954 2.444 1.00 10.34 C ATOM 1423 CD GLN A 83 9.454 -6.946 2.255 1.00 11.24 C ATOM 1424 OE1 GLN A 83 9.549 -7.625 1.226 1.00 40.32 O ATOM 1425 NE2 GLN A 83 10.318 -7.084 3.260 1.00 51.21 N ATOM 0 H GLN A 83 8.090 -2.782 0.987 1.00 5.33 H new ATOM 0 HA GLN A 83 9.978 -2.995 3.236 1.00 51.50 H new ATOM 0 HB2 GLN A 83 9.292 -4.972 4.080 1.00 51.42 H new ATOM 0 HB3 GLN A 83 7.730 -4.283 3.687 1.00 51.42 H new ATOM 0 HG2 GLN A 83 7.469 -6.468 2.949 1.00 10.34 H new ATOM 0 HG3 GLN A 83 7.918 -5.656 1.463 1.00 10.34 H new ATOM 0 HE21 GLN A 83 10.220 -6.513 4.099 1.00 51.21 H new ATOM 0 HE22 GLN A 83 11.078 -7.761 3.190 1.00 51.21 H new ATOM 1434 N ASP A 84 11.555 -4.159 1.701 1.00 50.22 N ATOM 1435 CA ASP A 84 12.605 -4.675 0.805 1.00 40.13 C ATOM 1436 C ASP A 84 13.639 -5.418 1.656 1.00 54.14 C ATOM 1437 O ASP A 84 13.657 -5.292 2.889 1.00 11.22 O ATOM 1438 CB ASP A 84 13.333 -3.532 0.018 1.00 73.32 C ATOM 1439 CG ASP A 84 12.479 -2.852 -1.070 1.00 33.43 C ATOM 1440 OD1 ASP A 84 12.382 -3.392 -2.199 1.00 2.42 O ATOM 1441 OD2 ASP A 84 11.907 -1.769 -0.811 1.00 51.22 O ATOM 0 H ASP A 84 11.903 -3.945 2.635 1.00 50.22 H new ATOM 0 HA ASP A 84 12.133 -5.332 0.074 1.00 40.13 H new ATOM 0 HB2 ASP A 84 13.663 -2.774 0.728 1.00 73.32 H new ATOM 0 HB3 ASP A 84 14.229 -3.944 -0.447 1.00 73.32 H new ATOM 1446 N GLN A 85 14.495 -6.180 0.980 1.00 33.30 N ATOM 1447 CA GLN A 85 15.707 -6.766 1.573 1.00 51.00 C ATOM 1448 C GLN A 85 16.829 -5.708 1.605 1.00 22.34 C ATOM 1449 O GLN A 85 17.685 -5.716 2.499 1.00 13.42 O ATOM 1450 CB GLN A 85 16.145 -8.004 0.749 1.00 3.03 C ATOM 1451 CG GLN A 85 15.150 -9.192 0.774 1.00 11.23 C ATOM 1452 CD GLN A 85 15.611 -10.406 -0.054 1.00 31.12 C ATOM 1453 OE1 GLN A 85 15.332 -11.558 0.294 1.00 42.03 O ATOM 1454 NE2 GLN A 85 16.276 -10.163 -1.174 1.00 50.02 N ATOM 0 H GLN A 85 14.371 -6.414 -0.005 1.00 33.30 H new ATOM 0 HA GLN A 85 15.499 -7.085 2.594 1.00 51.00 H new ATOM 0 HB2 GLN A 85 16.296 -7.698 -0.286 1.00 3.03 H new ATOM 0 HB3 GLN A 85 17.109 -8.349 1.124 1.00 3.03 H new ATOM 0 HG2 GLN A 85 14.998 -9.505 1.807 1.00 11.23 H new ATOM 0 HG3 GLN A 85 14.184 -8.853 0.398 1.00 11.23 H new ATOM 0 HE21 GLN A 85 16.494 -9.203 -1.439 1.00 50.02 H new ATOM 0 HE22 GLN A 85 16.570 -10.936 -1.771 1.00 50.02 H new ATOM 1463 N ASP A 86 16.801 -4.793 0.615 1.00 70.54 N ATOM 1464 CA ASP A 86 17.772 -3.686 0.503 1.00 31.22 C ATOM 1465 C ASP A 86 17.334 -2.532 1.416 1.00 21.12 C ATOM 1466 O ASP A 86 16.364 -1.826 1.103 1.00 24.30 O ATOM 1467 CB ASP A 86 17.872 -3.188 -0.960 1.00 2.34 C ATOM 1468 CG ASP A 86 18.270 -4.284 -1.949 1.00 62.22 C ATOM 1469 OD1 ASP A 86 19.473 -4.517 -2.150 1.00 15.23 O ATOM 1470 OD2 ASP A 86 17.382 -4.926 -2.527 1.00 12.14 O ATOM 0 H ASP A 86 16.104 -4.801 -0.130 1.00 70.54 H new ATOM 0 HA ASP A 86 18.754 -4.048 0.809 1.00 31.22 H new ATOM 0 HB2 ASP A 86 16.911 -2.770 -1.260 1.00 2.34 H new ATOM 0 HB3 ASP A 86 18.602 -2.380 -1.012 1.00 2.34 H new ATOM 1475 N GLU A 87 18.050 -2.361 2.543 1.00 22.43 N ATOM 1476 CA GLU A 87 17.778 -1.295 3.534 1.00 55.05 C ATOM 1477 C GLU A 87 18.043 0.103 2.929 1.00 24.41 C ATOM 1478 O GLU A 87 17.348 1.070 3.257 1.00 73.53 O ATOM 1479 CB GLU A 87 18.648 -1.495 4.808 1.00 65.22 C ATOM 1480 CG GLU A 87 18.326 -0.528 5.978 1.00 14.30 C ATOM 1481 CD GLU A 87 16.927 -0.754 6.572 1.00 14.03 C ATOM 1482 OE1 GLU A 87 16.772 -1.667 7.402 1.00 42.12 O ATOM 1483 OE2 GLU A 87 15.992 -0.016 6.225 1.00 32.13 O ATOM 0 H GLU A 87 18.837 -2.959 2.796 1.00 22.43 H new ATOM 0 HA GLU A 87 16.726 -1.359 3.812 1.00 55.05 H new ATOM 0 HB2 GLU A 87 18.523 -2.520 5.158 1.00 65.22 H new ATOM 0 HB3 GLU A 87 19.697 -1.376 4.536 1.00 65.22 H new ATOM 0 HG2 GLU A 87 19.073 -0.653 6.762 1.00 14.30 H new ATOM 0 HG3 GLU A 87 18.404 0.500 5.625 1.00 14.30 H new ATOM 1490 N ASN A 88 19.057 0.186 2.032 1.00 61.53 N ATOM 1491 CA ASN A 88 19.424 1.444 1.344 1.00 64.00 C ATOM 1492 C ASN A 88 18.283 1.923 0.422 1.00 2.30 C ATOM 1493 O ASN A 88 18.067 3.128 0.269 1.00 64.54 O ATOM 1494 CB ASN A 88 20.741 1.290 0.542 1.00 21.40 C ATOM 1495 CG ASN A 88 21.948 0.917 1.413 1.00 62.32 C ATOM 1496 OD1 ASN A 88 22.296 -0.254 1.545 1.00 54.32 O ATOM 1497 ND2 ASN A 88 22.572 1.896 2.051 1.00 2.21 N ATOM 0 H ASN A 88 19.637 -0.611 1.769 1.00 61.53 H new ATOM 0 HA ASN A 88 19.587 2.199 2.113 1.00 64.00 H new ATOM 0 HB2 ASN A 88 20.604 0.525 -0.222 1.00 21.40 H new ATOM 0 HB3 ASN A 88 20.953 2.225 0.023 1.00 21.40 H new ATOM 0 HD21 ASN A 88 23.358 1.684 2.666 1.00 2.21 H new ATOM 0 HD22 ASN A 88 22.267 2.861 1.927 1.00 2.21 H new ATOM 1504 N GLU A 89 17.547 0.962 -0.188 1.00 55.45 N ATOM 1505 CA GLU A 89 16.344 1.267 -0.995 1.00 14.42 C ATOM 1506 C GLU A 89 15.199 1.776 -0.106 1.00 34.22 C ATOM 1507 O GLU A 89 14.493 2.712 -0.477 1.00 32.24 O ATOM 1508 CB GLU A 89 15.863 0.026 -1.804 1.00 33.52 C ATOM 1509 CG GLU A 89 16.783 -0.370 -2.970 1.00 31.42 C ATOM 1510 CD GLU A 89 16.989 0.766 -3.990 1.00 10.01 C ATOM 1511 OE1 GLU A 89 16.033 1.105 -4.714 1.00 3.14 O ATOM 1512 OE2 GLU A 89 18.098 1.337 -4.060 1.00 72.24 O ATOM 0 H GLU A 89 17.768 -0.032 -0.135 1.00 55.45 H new ATOM 0 HA GLU A 89 16.625 2.050 -1.699 1.00 14.42 H new ATOM 0 HB2 GLU A 89 15.773 -0.822 -1.125 1.00 33.52 H new ATOM 0 HB3 GLU A 89 14.866 0.228 -2.196 1.00 33.52 H new ATOM 0 HG2 GLU A 89 17.752 -0.674 -2.573 1.00 31.42 H new ATOM 0 HG3 GLU A 89 16.361 -1.236 -3.480 1.00 31.42 H new ATOM 1519 N LEU A 90 15.046 1.136 1.063 1.00 72.51 N ATOM 1520 CA LEU A 90 13.972 1.425 2.031 1.00 4.02 C ATOM 1521 C LEU A 90 14.026 2.865 2.555 1.00 43.45 C ATOM 1522 O LEU A 90 13.038 3.599 2.459 1.00 24.04 O ATOM 1523 CB LEU A 90 14.077 0.429 3.215 1.00 12.01 C ATOM 1524 CG LEU A 90 13.674 -1.037 2.903 1.00 73.23 C ATOM 1525 CD1 LEU A 90 14.002 -1.987 4.074 1.00 50.33 C ATOM 1526 CD2 LEU A 90 12.182 -1.091 2.532 1.00 53.23 C ATOM 0 H LEU A 90 15.673 0.392 1.369 1.00 72.51 H new ATOM 0 HA LEU A 90 13.018 1.309 1.516 1.00 4.02 H new ATOM 0 HB2 LEU A 90 15.104 0.434 3.579 1.00 12.01 H new ATOM 0 HB3 LEU A 90 13.449 0.793 4.028 1.00 12.01 H new ATOM 0 HG LEU A 90 14.262 -1.384 2.054 1.00 73.23 H new ATOM 0 HD11 LEU A 90 13.704 -3.002 3.813 1.00 50.33 H new ATOM 0 HD12 LEU A 90 15.073 -1.963 4.273 1.00 50.33 H new ATOM 0 HD13 LEU A 90 13.461 -1.667 4.964 1.00 50.33 H new ATOM 0 HD21 LEU A 90 11.899 -2.120 2.313 1.00 53.23 H new ATOM 0 HD22 LEU A 90 11.586 -0.720 3.366 1.00 53.23 H new ATOM 0 HD23 LEU A 90 12.003 -0.471 1.654 1.00 53.23 H new ATOM 1538 N GLU A 91 15.192 3.242 3.107 1.00 43.54 N ATOM 1539 CA GLU A 91 15.401 4.556 3.733 1.00 4.11 C ATOM 1540 C GLU A 91 15.215 5.696 2.717 1.00 42.13 C ATOM 1541 O GLU A 91 14.497 6.658 2.999 1.00 2.02 O ATOM 1542 CB GLU A 91 16.803 4.607 4.410 1.00 52.44 C ATOM 1543 CG GLU A 91 17.996 4.278 3.479 1.00 51.10 C ATOM 1544 CD GLU A 91 19.343 4.027 4.192 1.00 24.14 C ATOM 1545 OE1 GLU A 91 19.355 3.701 5.400 1.00 12.40 O ATOM 1546 OE2 GLU A 91 20.397 4.113 3.529 1.00 0.14 O ATOM 0 H GLU A 91 16.017 2.642 3.131 1.00 43.54 H new ATOM 0 HA GLU A 91 14.646 4.698 4.506 1.00 4.11 H new ATOM 0 HB2 GLU A 91 16.952 5.603 4.827 1.00 52.44 H new ATOM 0 HB3 GLU A 91 16.811 3.907 5.246 1.00 52.44 H new ATOM 0 HG2 GLU A 91 17.744 3.394 2.893 1.00 51.10 H new ATOM 0 HG3 GLU A 91 18.124 5.101 2.776 1.00 51.10 H new ATOM 1553 N GLU A 92 15.802 5.539 1.515 1.00 73.15 N ATOM 1554 CA GLU A 92 15.754 6.561 0.459 1.00 55.41 C ATOM 1555 C GLU A 92 14.333 6.733 -0.108 1.00 11.12 C ATOM 1556 O GLU A 92 13.856 7.858 -0.225 1.00 25.52 O ATOM 1557 CB GLU A 92 16.775 6.233 -0.662 1.00 41.12 C ATOM 1558 CG GLU A 92 18.249 6.373 -0.220 1.00 42.22 C ATOM 1559 CD GLU A 92 18.606 7.814 0.205 1.00 33.50 C ATOM 1560 OE1 GLU A 92 18.805 8.668 -0.683 1.00 55.21 O ATOM 1561 OE2 GLU A 92 18.652 8.108 1.415 1.00 30.41 O ATOM 0 H GLU A 92 16.321 4.701 1.252 1.00 73.15 H new ATOM 0 HA GLU A 92 16.033 7.515 0.906 1.00 55.41 H new ATOM 0 HB2 GLU A 92 16.604 5.214 -1.010 1.00 41.12 H new ATOM 0 HB3 GLU A 92 16.595 6.894 -1.510 1.00 41.12 H new ATOM 0 HG2 GLU A 92 18.441 5.695 0.611 1.00 42.22 H new ATOM 0 HG3 GLU A 92 18.901 6.067 -1.038 1.00 42.22 H new ATOM 1568 N PHE A 93 13.656 5.614 -0.415 1.00 63.23 N ATOM 1569 CA PHE A 93 12.290 5.639 -0.982 1.00 53.11 C ATOM 1570 C PHE A 93 11.270 6.201 0.040 1.00 34.13 C ATOM 1571 O PHE A 93 10.373 6.957 -0.338 1.00 51.04 O ATOM 1572 CB PHE A 93 11.865 4.225 -1.474 1.00 25.13 C ATOM 1573 CG PHE A 93 10.548 4.181 -2.267 1.00 3.02 C ATOM 1574 CD1 PHE A 93 10.291 5.104 -3.290 1.00 2.30 C ATOM 1575 CD2 PHE A 93 9.559 3.232 -1.988 1.00 53.00 C ATOM 1576 CE1 PHE A 93 9.103 5.072 -4.005 1.00 33.23 C ATOM 1577 CE2 PHE A 93 8.371 3.205 -2.705 1.00 73.10 C ATOM 1578 CZ PHE A 93 8.141 4.129 -3.708 1.00 24.40 C ATOM 0 H PHE A 93 14.031 4.675 -0.281 1.00 63.23 H new ATOM 0 HA PHE A 93 12.299 6.306 -1.844 1.00 53.11 H new ATOM 0 HB2 PHE A 93 12.661 3.820 -2.098 1.00 25.13 H new ATOM 0 HB3 PHE A 93 11.773 3.568 -0.609 1.00 25.13 H new ATOM 0 HD1 PHE A 93 11.032 5.854 -3.526 1.00 2.30 H new ATOM 0 HD2 PHE A 93 9.722 2.509 -1.202 1.00 53.00 H new ATOM 0 HE1 PHE A 93 8.931 5.787 -4.796 1.00 33.23 H new ATOM 0 HE2 PHE A 93 7.623 2.459 -2.479 1.00 73.10 H new ATOM 0 HZ PHE A 93 7.211 4.112 -4.257 1.00 24.40 H new ATOM 1588 N LYS A 94 11.445 5.852 1.339 1.00 71.31 N ATOM 1589 CA LYS A 94 10.532 6.293 2.418 1.00 43.11 C ATOM 1590 C LYS A 94 10.617 7.815 2.647 1.00 35.12 C ATOM 1591 O LYS A 94 9.584 8.478 2.705 1.00 32.30 O ATOM 1592 CB LYS A 94 10.796 5.542 3.760 1.00 74.24 C ATOM 1593 CG LYS A 94 9.846 5.988 4.907 1.00 13.34 C ATOM 1594 CD LYS A 94 9.956 5.161 6.204 1.00 51.50 C ATOM 1595 CE LYS A 94 11.325 5.271 6.886 1.00 54.13 C ATOM 1596 NZ LYS A 94 11.590 6.636 7.409 1.00 21.30 N ATOM 0 H LYS A 94 12.213 5.265 1.663 1.00 71.31 H new ATOM 0 HA LYS A 94 9.525 6.044 2.083 1.00 43.11 H new ATOM 0 HB2 LYS A 94 10.682 4.470 3.598 1.00 74.24 H new ATOM 0 HB3 LYS A 94 11.829 5.710 4.066 1.00 74.24 H new ATOM 0 HG2 LYS A 94 10.050 7.033 5.142 1.00 13.34 H new ATOM 0 HG3 LYS A 94 8.818 5.937 4.548 1.00 13.34 H new ATOM 0 HD2 LYS A 94 9.185 5.489 6.901 1.00 51.50 H new ATOM 0 HD3 LYS A 94 9.756 4.114 5.976 1.00 51.50 H new ATOM 0 HE2 LYS A 94 11.378 4.554 7.706 1.00 54.13 H new ATOM 0 HE3 LYS A 94 12.105 5.000 6.175 1.00 54.13 H new ATOM 0 HZ1 LYS A 94 12.496 6.642 7.919 1.00 21.30 H new ATOM 0 HZ2 LYS A 94 11.634 7.309 6.617 1.00 21.30 H new ATOM 0 HZ3 LYS A 94 10.826 6.914 8.057 1.00 21.30 H new ATOM 1610 N ARG A 95 11.852 8.356 2.758 1.00 63.14 N ATOM 1611 CA ARG A 95 12.077 9.792 3.062 1.00 65.11 C ATOM 1612 C ARG A 95 11.586 10.716 1.934 1.00 42.04 C ATOM 1613 O ARG A 95 11.392 11.916 2.161 1.00 35.44 O ATOM 1614 CB ARG A 95 13.562 10.066 3.429 1.00 12.01 C ATOM 1615 CG ARG A 95 14.579 9.730 2.323 1.00 40.23 C ATOM 1616 CD ARG A 95 16.035 9.703 2.827 1.00 44.33 C ATOM 1617 NE ARG A 95 16.498 11.017 3.294 1.00 43.30 N ATOM 1618 CZ ARG A 95 17.778 11.416 3.349 1.00 35.35 C ATOM 1619 NH1 ARG A 95 18.773 10.609 2.958 1.00 13.25 N ATOM 1620 NH2 ARG A 95 18.053 12.637 3.771 1.00 3.33 N ATOM 0 H ARG A 95 12.712 7.819 2.642 1.00 63.14 H new ATOM 0 HA ARG A 95 11.472 10.029 3.937 1.00 65.11 H new ATOM 0 HB2 ARG A 95 13.667 11.119 3.691 1.00 12.01 H new ATOM 0 HB3 ARG A 95 13.813 9.489 4.319 1.00 12.01 H new ATOM 0 HG2 ARG A 95 14.332 8.759 1.893 1.00 40.23 H new ATOM 0 HG3 ARG A 95 14.492 10.465 1.522 1.00 40.23 H new ATOM 0 HD2 ARG A 95 16.120 8.982 3.640 1.00 44.33 H new ATOM 0 HD3 ARG A 95 16.687 9.357 2.025 1.00 44.33 H new ATOM 0 HE ARG A 95 15.788 11.681 3.602 1.00 43.30 H new ATOM 0 HH11 ARG A 95 18.564 9.673 2.611 1.00 13.25 H new ATOM 0 HH12 ARG A 95 19.740 10.931 3.007 1.00 13.25 H new ATOM 0 HH21 ARG A 95 17.297 13.263 4.050 1.00 3.33 H new ATOM 0 HH22 ARG A 95 19.021 12.954 3.818 1.00 3.33 H new ATOM 1634 N LYS A 96 11.408 10.156 0.712 1.00 4.45 N ATOM 1635 CA LYS A 96 10.721 10.859 -0.395 1.00 42.54 C ATOM 1636 C LYS A 96 9.271 11.153 0.023 1.00 1.11 C ATOM 1637 O LYS A 96 8.799 12.286 -0.042 1.00 70.42 O ATOM 1638 CB LYS A 96 10.698 10.016 -1.710 1.00 20.23 C ATOM 1639 CG LYS A 96 12.045 9.439 -2.223 1.00 73.10 C ATOM 1640 CD LYS A 96 13.142 10.479 -2.598 1.00 70.30 C ATOM 1641 CE LYS A 96 13.959 10.984 -1.401 1.00 15.31 C ATOM 1642 NZ LYS A 96 15.061 11.881 -1.813 1.00 3.21 N ATOM 0 H LYS A 96 11.732 9.219 0.470 1.00 4.45 H new ATOM 0 HA LYS A 96 11.272 11.778 -0.594 1.00 42.54 H new ATOM 0 HB2 LYS A 96 10.011 9.183 -1.562 1.00 20.23 H new ATOM 0 HB3 LYS A 96 10.278 10.639 -2.500 1.00 20.23 H new ATOM 0 HG2 LYS A 96 12.448 8.778 -1.456 1.00 73.10 H new ATOM 0 HG3 LYS A 96 11.842 8.824 -3.100 1.00 73.10 H new ATOM 0 HD2 LYS A 96 13.820 10.031 -3.324 1.00 70.30 H new ATOM 0 HD3 LYS A 96 12.669 11.331 -3.087 1.00 70.30 H new ATOM 0 HE2 LYS A 96 13.301 11.513 -0.712 1.00 15.31 H new ATOM 0 HE3 LYS A 96 14.370 10.132 -0.859 1.00 15.31 H new ATOM 0 HZ1 LYS A 96 15.585 12.197 -0.972 1.00 3.21 H new ATOM 0 HZ2 LYS A 96 15.705 11.370 -2.450 1.00 3.21 H new ATOM 0 HZ3 LYS A 96 14.669 12.708 -2.307 1.00 3.21 H new ATOM 1656 N ILE A 97 8.607 10.082 0.489 1.00 0.41 N ATOM 1657 CA ILE A 97 7.179 10.067 0.857 1.00 31.41 C ATOM 1658 C ILE A 97 6.932 10.881 2.151 1.00 1.42 C ATOM 1659 O ILE A 97 5.891 11.521 2.301 1.00 4.15 O ATOM 1660 CB ILE A 97 6.678 8.578 1.030 1.00 35.23 C ATOM 1661 CG1 ILE A 97 7.195 7.665 -0.137 1.00 64.43 C ATOM 1662 CG2 ILE A 97 5.136 8.499 1.146 1.00 25.21 C ATOM 1663 CD1 ILE A 97 6.825 8.116 -1.548 1.00 41.25 C ATOM 0 H ILE A 97 9.060 9.178 0.624 1.00 0.41 H new ATOM 0 HA ILE A 97 6.611 10.536 0.054 1.00 31.41 H new ATOM 0 HB ILE A 97 7.098 8.206 1.965 1.00 35.23 H new ATOM 0 HG12 ILE A 97 8.281 7.602 -0.069 1.00 64.43 H new ATOM 0 HG13 ILE A 97 6.807 6.658 0.016 1.00 64.43 H new ATOM 0 HG21 ILE A 97 4.833 7.459 1.264 1.00 25.21 H new ATOM 0 HG22 ILE A 97 4.806 9.073 2.012 1.00 25.21 H new ATOM 0 HG23 ILE A 97 4.682 8.910 0.244 1.00 25.21 H new ATOM 0 HD11 ILE A 97 7.233 7.413 -2.274 1.00 41.25 H new ATOM 0 HD12 ILE A 97 5.740 8.150 -1.646 1.00 41.25 H new ATOM 0 HD13 ILE A 97 7.237 9.108 -1.733 1.00 41.25 H new ATOM 1675 N GLU A 98 7.912 10.838 3.077 1.00 35.02 N ATOM 1676 CA GLU A 98 7.920 11.666 4.302 1.00 15.13 C ATOM 1677 C GLU A 98 8.062 13.156 3.964 1.00 11.24 C ATOM 1678 O GLU A 98 7.421 13.995 4.594 1.00 64.11 O ATOM 1679 CB GLU A 98 9.064 11.223 5.249 1.00 1.04 C ATOM 1680 CG GLU A 98 8.931 9.775 5.731 1.00 50.15 C ATOM 1681 CD GLU A 98 10.034 9.335 6.698 1.00 55.54 C ATOM 1682 OE1 GLU A 98 11.205 9.281 6.278 1.00 5.43 O ATOM 1683 OE2 GLU A 98 9.742 9.024 7.872 1.00 75.32 O ATOM 0 H GLU A 98 8.724 10.226 2.996 1.00 35.02 H new ATOM 0 HA GLU A 98 6.966 11.521 4.808 1.00 15.13 H new ATOM 0 HB2 GLU A 98 10.017 11.340 4.734 1.00 1.04 H new ATOM 0 HB3 GLU A 98 9.086 11.885 6.114 1.00 1.04 H new ATOM 0 HG2 GLU A 98 7.964 9.653 6.220 1.00 50.15 H new ATOM 0 HG3 GLU A 98 8.936 9.113 4.865 1.00 50.15 H new ATOM 1690 N SER A 99 8.891 13.468 2.949 1.00 60.12 N ATOM 1691 CA SER A 99 9.081 14.846 2.463 1.00 45.41 C ATOM 1692 C SER A 99 7.816 15.341 1.732 1.00 23.54 C ATOM 1693 O SER A 99 7.530 16.540 1.706 1.00 71.03 O ATOM 1694 CB SER A 99 10.314 14.926 1.540 1.00 20.45 C ATOM 1695 OG SER A 99 10.567 16.258 1.123 1.00 23.22 O ATOM 0 H SER A 99 9.445 12.775 2.446 1.00 60.12 H new ATOM 0 HA SER A 99 9.254 15.496 3.321 1.00 45.41 H new ATOM 0 HB2 SER A 99 11.187 14.536 2.063 1.00 20.45 H new ATOM 0 HB3 SER A 99 10.157 14.294 0.666 1.00 20.45 H new ATOM 0 HG SER A 99 11.355 16.274 0.541 1.00 23.22 H new ATOM 1701 N GLN A 100 7.080 14.390 1.122 1.00 40.20 N ATOM 1702 CA GLN A 100 5.771 14.646 0.491 1.00 64.34 C ATOM 1703 C GLN A 100 4.665 14.764 1.568 1.00 2.20 C ATOM 1704 O GLN A 100 3.606 15.348 1.324 1.00 74.21 O ATOM 1705 CB GLN A 100 5.440 13.514 -0.522 1.00 54.55 C ATOM 1706 CG GLN A 100 6.378 13.454 -1.748 1.00 52.22 C ATOM 1707 CD GLN A 100 6.207 12.190 -2.600 1.00 12.04 C ATOM 1708 OE1 GLN A 100 5.118 11.621 -2.696 1.00 31.13 O ATOM 1709 NE2 GLN A 100 7.286 11.732 -3.219 1.00 21.34 N ATOM 0 H GLN A 100 7.380 13.417 1.053 1.00 40.20 H new ATOM 0 HA GLN A 100 5.817 15.592 -0.049 1.00 64.34 H new ATOM 0 HB2 GLN A 100 5.480 12.556 -0.003 1.00 54.55 H new ATOM 0 HB3 GLN A 100 4.416 13.644 -0.871 1.00 54.55 H new ATOM 0 HG2 GLN A 100 6.199 14.329 -2.373 1.00 52.22 H new ATOM 0 HG3 GLN A 100 7.411 13.513 -1.406 1.00 52.22 H new ATOM 0 HE21 GLN A 100 8.176 12.222 -3.123 1.00 21.34 H new ATOM 0 HE22 GLN A 100 7.227 10.890 -3.791 1.00 21.34 H new ATOM 1718 N GLY A 101 4.929 14.176 2.754 1.00 20.40 N ATOM 1719 CA GLY A 101 4.038 14.279 3.910 1.00 20.13 C ATOM 1720 C GLY A 101 2.873 13.296 3.854 1.00 62.53 C ATOM 1721 O GLY A 101 1.723 13.682 4.056 1.00 74.13 O ATOM 0 H GLY A 101 5.766 13.620 2.928 1.00 20.40 H new ATOM 0 HA2 GLY A 101 4.611 14.103 4.820 1.00 20.13 H new ATOM 0 HA3 GLY A 101 3.647 15.295 3.971 1.00 20.13 H new ATOM 1725 N TYR A 102 3.161 12.023 3.552 1.00 54.12 N ATOM 1726 CA TYR A 102 2.156 10.939 3.607 1.00 35.14 C ATOM 1727 C TYR A 102 2.514 9.966 4.733 1.00 12.42 C ATOM 1728 O TYR A 102 3.700 9.811 5.074 1.00 23.24 O ATOM 1729 CB TYR A 102 2.069 10.177 2.258 1.00 14.35 C ATOM 1730 CG TYR A 102 1.618 11.041 1.072 1.00 35.22 C ATOM 1731 CD1 TYR A 102 0.298 11.497 0.974 1.00 4.31 C ATOM 1732 CD2 TYR A 102 2.500 11.391 0.047 1.00 24.33 C ATOM 1733 CE1 TYR A 102 -0.116 12.270 -0.097 1.00 11.24 C ATOM 1734 CE2 TYR A 102 2.088 12.164 -1.022 1.00 25.00 C ATOM 1735 CZ TYR A 102 0.782 12.599 -1.092 1.00 21.33 C ATOM 1736 OH TYR A 102 0.376 13.378 -2.156 1.00 70.31 O ATOM 0 H TYR A 102 4.089 11.711 3.264 1.00 54.12 H new ATOM 0 HA TYR A 102 1.181 11.387 3.801 1.00 35.14 H new ATOM 0 HB2 TYR A 102 3.046 9.751 2.031 1.00 14.35 H new ATOM 0 HB3 TYR A 102 1.376 9.343 2.369 1.00 14.35 H new ATOM 0 HD1 TYR A 102 -0.410 11.241 1.748 1.00 4.31 H new ATOM 0 HD2 TYR A 102 3.524 11.051 0.091 1.00 24.33 H new ATOM 0 HE1 TYR A 102 -1.138 12.614 -0.154 1.00 11.24 H new ATOM 0 HE2 TYR A 102 2.788 12.427 -1.801 1.00 25.00 H new ATOM 0 HH TYR A 102 1.130 13.517 -2.766 1.00 70.31 H new ATOM 1746 N GLU A 103 1.474 9.326 5.304 1.00 53.22 N ATOM 1747 CA GLU A 103 1.606 8.285 6.338 1.00 55.42 C ATOM 1748 C GLU A 103 2.303 7.045 5.744 1.00 23.45 C ATOM 1749 O GLU A 103 1.662 6.202 5.111 1.00 12.53 O ATOM 1750 CB GLU A 103 0.184 7.932 6.868 1.00 2.23 C ATOM 1751 CG GLU A 103 0.105 6.856 7.981 1.00 52.14 C ATOM 1752 CD GLU A 103 0.670 7.298 9.341 1.00 35.44 C ATOM 1753 OE1 GLU A 103 0.148 8.279 9.915 1.00 72.24 O ATOM 1754 OE2 GLU A 103 1.595 6.643 9.869 1.00 42.42 O ATOM 0 H GLU A 103 0.505 9.522 5.055 1.00 53.22 H new ATOM 0 HA GLU A 103 2.216 8.645 7.167 1.00 55.42 H new ATOM 0 HB2 GLU A 103 -0.276 8.846 7.244 1.00 2.23 H new ATOM 0 HB3 GLU A 103 -0.420 7.595 6.025 1.00 2.23 H new ATOM 0 HG2 GLU A 103 -0.937 6.565 8.113 1.00 52.14 H new ATOM 0 HG3 GLU A 103 0.645 5.969 7.649 1.00 52.14 H new ATOM 1761 N VAL A 104 3.624 6.976 5.907 1.00 3.52 N ATOM 1762 CA VAL A 104 4.457 5.895 5.356 1.00 3.32 C ATOM 1763 C VAL A 104 5.069 5.064 6.497 1.00 15.10 C ATOM 1764 O VAL A 104 5.297 5.569 7.608 1.00 20.01 O ATOM 1765 CB VAL A 104 5.581 6.479 4.415 1.00 43.43 C ATOM 1766 CG1 VAL A 104 6.534 7.405 5.187 1.00 74.04 C ATOM 1767 CG2 VAL A 104 6.346 5.368 3.643 1.00 52.33 C ATOM 0 H VAL A 104 4.156 7.673 6.429 1.00 3.52 H new ATOM 0 HA VAL A 104 3.826 5.241 4.754 1.00 3.32 H new ATOM 0 HB VAL A 104 5.079 7.084 3.660 1.00 43.43 H new ATOM 0 HG11 VAL A 104 7.296 7.790 4.509 1.00 74.04 H new ATOM 0 HG12 VAL A 104 5.970 8.237 5.609 1.00 74.04 H new ATOM 0 HG13 VAL A 104 7.013 6.846 5.991 1.00 74.04 H new ATOM 0 HG21 VAL A 104 7.108 5.823 3.010 1.00 52.33 H new ATOM 0 HG22 VAL A 104 6.821 4.692 4.354 1.00 52.33 H new ATOM 0 HG23 VAL A 104 5.646 4.808 3.022 1.00 52.33 H new ATOM 1777 N ARG A 105 5.306 3.786 6.203 1.00 73.35 N ATOM 1778 CA ARG A 105 5.854 2.792 7.125 1.00 72.32 C ATOM 1779 C ARG A 105 6.861 1.925 6.366 1.00 50.40 C ATOM 1780 O ARG A 105 6.709 1.707 5.156 1.00 13.34 O ATOM 1781 CB ARG A 105 4.707 1.923 7.701 1.00 24.41 C ATOM 1782 CG ARG A 105 3.777 2.651 8.699 1.00 4.13 C ATOM 1783 CD ARG A 105 4.455 2.918 10.047 1.00 70.32 C ATOM 1784 NE ARG A 105 4.781 1.651 10.731 1.00 42.44 N ATOM 1785 CZ ARG A 105 5.708 1.489 11.678 1.00 40.41 C ATOM 1786 NH1 ARG A 105 6.454 2.508 12.096 1.00 32.41 N ATOM 1787 NH2 ARG A 105 5.839 0.305 12.254 1.00 51.23 N ATOM 0 H ARG A 105 5.114 3.399 5.279 1.00 73.35 H new ATOM 0 HA ARG A 105 6.357 3.285 7.957 1.00 72.32 H new ATOM 0 HB2 ARG A 105 4.105 1.547 6.874 1.00 24.41 H new ATOM 0 HB3 ARG A 105 5.142 1.056 8.198 1.00 24.41 H new ATOM 0 HG2 ARG A 105 3.454 3.597 8.265 1.00 4.13 H new ATOM 0 HG3 ARG A 105 2.881 2.051 8.859 1.00 4.13 H new ATOM 0 HD2 ARG A 105 5.365 3.498 9.893 1.00 70.32 H new ATOM 0 HD3 ARG A 105 3.798 3.518 10.677 1.00 70.32 H new ATOM 0 HE ARG A 105 4.250 0.825 10.455 1.00 42.44 H new ATOM 0 HH11 ARG A 105 6.323 3.435 11.692 1.00 32.41 H new ATOM 0 HH12 ARG A 105 7.157 2.362 12.821 1.00 32.41 H new ATOM 0 HH21 ARG A 105 5.236 -0.468 11.973 1.00 51.23 H new ATOM 0 HH22 ARG A 105 6.543 0.166 12.979 1.00 51.23 H new ATOM 1801 N LYS A 106 7.868 1.417 7.081 1.00 22.30 N ATOM 1802 CA LYS A 106 8.973 0.643 6.493 1.00 25.20 C ATOM 1803 C LYS A 106 9.383 -0.516 7.401 1.00 62.55 C ATOM 1804 O LYS A 106 9.399 -0.379 8.630 1.00 53.04 O ATOM 1805 CB LYS A 106 10.192 1.577 6.215 1.00 5.42 C ATOM 1806 CG LYS A 106 11.471 0.873 5.660 1.00 13.20 C ATOM 1807 CD LYS A 106 12.605 0.675 6.710 1.00 32.10 C ATOM 1808 CE LYS A 106 13.435 1.950 6.952 1.00 71.21 C ATOM 1809 NZ LYS A 106 14.453 1.756 8.018 1.00 13.10 N ATOM 0 H LYS A 106 7.943 1.530 8.092 1.00 22.30 H new ATOM 0 HA LYS A 106 8.628 0.220 5.550 1.00 25.20 H new ATOM 0 HB2 LYS A 106 9.884 2.344 5.504 1.00 5.42 H new ATOM 0 HB3 LYS A 106 10.454 2.088 7.142 1.00 5.42 H new ATOM 0 HG2 LYS A 106 11.190 -0.101 5.259 1.00 13.20 H new ATOM 0 HG3 LYS A 106 11.861 1.459 4.828 1.00 13.20 H new ATOM 0 HD2 LYS A 106 12.166 0.350 7.653 1.00 32.10 H new ATOM 0 HD3 LYS A 106 13.267 -0.124 6.375 1.00 32.10 H new ATOM 0 HE2 LYS A 106 13.930 2.242 6.026 1.00 71.21 H new ATOM 0 HE3 LYS A 106 12.771 2.768 7.229 1.00 71.21 H new ATOM 0 HZ1 LYS A 106 14.873 2.674 8.269 1.00 13.10 H new ATOM 0 HZ2 LYS A 106 14.001 1.341 8.858 1.00 13.10 H new ATOM 0 HZ3 LYS A 106 15.198 1.117 7.674 1.00 13.10 H new ATOM 1823 N VAL A 107 9.741 -1.643 6.759 1.00 52.21 N ATOM 1824 CA VAL A 107 10.312 -2.843 7.408 1.00 4.45 C ATOM 1825 C VAL A 107 11.249 -3.565 6.433 1.00 52.04 C ATOM 1826 O VAL A 107 11.155 -3.394 5.211 1.00 5.41 O ATOM 1827 CB VAL A 107 9.206 -3.861 7.895 1.00 10.41 C ATOM 1828 CG1 VAL A 107 8.576 -3.422 9.224 1.00 55.52 C ATOM 1829 CG2 VAL A 107 8.132 -4.048 6.805 1.00 1.03 C ATOM 0 H VAL A 107 9.640 -1.750 5.750 1.00 52.21 H new ATOM 0 HA VAL A 107 10.856 -2.495 8.286 1.00 4.45 H new ATOM 0 HB VAL A 107 9.690 -4.822 8.072 1.00 10.41 H new ATOM 0 HG11 VAL A 107 7.820 -4.147 9.526 1.00 55.52 H new ATOM 0 HG12 VAL A 107 9.348 -3.362 9.991 1.00 55.52 H new ATOM 0 HG13 VAL A 107 8.111 -2.444 9.101 1.00 55.52 H new ATOM 0 HG21 VAL A 107 7.377 -4.752 7.155 1.00 1.03 H new ATOM 0 HG22 VAL A 107 7.661 -3.089 6.589 1.00 1.03 H new ATOM 0 HG23 VAL A 107 8.597 -4.436 5.899 1.00 1.03 H new ATOM 1839 N THR A 108 12.143 -4.364 7.003 1.00 10.32 N ATOM 1840 CA THR A 108 13.053 -5.240 6.252 1.00 52.23 C ATOM 1841 C THR A 108 12.578 -6.703 6.360 1.00 32.23 C ATOM 1842 O THR A 108 12.700 -7.482 5.414 1.00 15.24 O ATOM 1843 CB THR A 108 14.516 -5.091 6.778 1.00 15.24 C ATOM 1844 OG1 THR A 108 14.796 -3.695 6.971 1.00 51.50 O ATOM 1845 CG2 THR A 108 15.569 -5.690 5.816 1.00 64.22 C ATOM 0 H THR A 108 12.263 -4.427 8.014 1.00 10.32 H new ATOM 0 HA THR A 108 13.042 -4.946 5.202 1.00 52.23 H new ATOM 0 HB THR A 108 14.585 -5.646 7.714 1.00 15.24 H new ATOM 0 HG1 THR A 108 15.761 -3.567 7.080 1.00 51.50 H new ATOM 0 HG21 THR A 108 16.565 -5.555 6.237 1.00 64.22 H new ATOM 0 HG22 THR A 108 15.374 -6.754 5.679 1.00 64.22 H new ATOM 0 HG23 THR A 108 15.511 -5.184 4.852 1.00 64.22 H new ATOM 1853 N ASP A 109 11.996 -7.046 7.528 1.00 24.30 N ATOM 1854 CA ASP A 109 11.518 -8.414 7.831 1.00 64.43 C ATOM 1855 C ASP A 109 10.095 -8.642 7.291 1.00 62.42 C ATOM 1856 O ASP A 109 9.250 -7.736 7.341 1.00 1.44 O ATOM 1857 CB ASP A 109 11.524 -8.675 9.350 1.00 43.45 C ATOM 1858 CG ASP A 109 12.905 -8.508 9.990 1.00 53.21 C ATOM 1859 OD1 ASP A 109 13.667 -9.486 10.054 1.00 1.32 O ATOM 1860 OD2 ASP A 109 13.228 -7.392 10.437 1.00 4.44 O ATOM 0 H ASP A 109 11.844 -6.383 8.288 1.00 24.30 H new ATOM 0 HA ASP A 109 12.201 -9.107 7.340 1.00 64.43 H new ATOM 0 HB2 ASP A 109 10.824 -7.992 9.831 1.00 43.45 H new ATOM 0 HB3 ASP A 109 11.164 -9.686 9.539 1.00 43.45 H new ATOM 1865 N ASP A 110 9.865 -9.877 6.808 1.00 4.22 N ATOM 1866 CA ASP A 110 8.574 -10.349 6.265 1.00 3.23 C ATOM 1867 C ASP A 110 7.463 -10.359 7.340 1.00 33.54 C ATOM 1868 O ASP A 110 6.340 -9.904 7.103 1.00 52.53 O ATOM 1869 CB ASP A 110 8.765 -11.770 5.660 1.00 24.50 C ATOM 1870 CG ASP A 110 9.257 -12.835 6.666 1.00 34.21 C ATOM 1871 OD1 ASP A 110 10.470 -12.971 6.852 1.00 1.04 O ATOM 1872 OD2 ASP A 110 8.428 -13.519 7.294 1.00 61.44 O ATOM 0 H ASP A 110 10.590 -10.594 6.783 1.00 4.22 H new ATOM 0 HA ASP A 110 8.254 -9.656 5.487 1.00 3.23 H new ATOM 0 HB2 ASP A 110 7.817 -12.100 5.235 1.00 24.50 H new ATOM 0 HB3 ASP A 110 9.478 -11.708 4.838 1.00 24.50 H new ATOM 1877 N GLU A 111 7.819 -10.882 8.519 1.00 3.42 N ATOM 1878 CA GLU A 111 6.919 -11.022 9.680 1.00 54.23 C ATOM 1879 C GLU A 111 6.472 -9.651 10.217 1.00 3.13 C ATOM 1880 O GLU A 111 5.327 -9.480 10.651 1.00 41.33 O ATOM 1881 CB GLU A 111 7.654 -11.841 10.776 1.00 3.34 C ATOM 1882 CG GLU A 111 9.062 -11.303 11.132 1.00 64.54 C ATOM 1883 CD GLU A 111 9.835 -12.177 12.127 1.00 43.23 C ATOM 1884 OE1 GLU A 111 9.980 -13.391 11.878 1.00 4.13 O ATOM 1885 OE2 GLU A 111 10.331 -11.651 13.140 1.00 10.24 O ATOM 0 H GLU A 111 8.761 -11.229 8.701 1.00 3.42 H new ATOM 0 HA GLU A 111 6.013 -11.546 9.374 1.00 54.23 H new ATOM 0 HB2 GLU A 111 7.042 -11.851 11.678 1.00 3.34 H new ATOM 0 HB3 GLU A 111 7.746 -12.874 10.442 1.00 3.34 H new ATOM 0 HG2 GLU A 111 9.646 -11.211 10.216 1.00 64.54 H new ATOM 0 HG3 GLU A 111 8.961 -10.300 11.548 1.00 64.54 H new ATOM 1892 N GLU A 112 7.387 -8.677 10.138 1.00 21.13 N ATOM 1893 CA GLU A 112 7.148 -7.305 10.594 1.00 41.15 C ATOM 1894 C GLU A 112 6.307 -6.521 9.560 1.00 50.23 C ATOM 1895 O GLU A 112 5.644 -5.546 9.914 1.00 21.02 O ATOM 1896 CB GLU A 112 8.500 -6.610 10.881 1.00 43.24 C ATOM 1897 CG GLU A 112 9.402 -7.343 11.904 1.00 55.11 C ATOM 1898 CD GLU A 112 8.724 -7.591 13.264 1.00 52.34 C ATOM 1899 OE1 GLU A 112 8.572 -6.629 14.045 1.00 54.21 O ATOM 1900 OE2 GLU A 112 8.332 -8.745 13.555 1.00 61.44 O ATOM 0 H GLU A 112 8.320 -8.821 9.753 1.00 21.13 H new ATOM 0 HA GLU A 112 6.573 -7.328 11.520 1.00 41.15 H new ATOM 0 HB2 GLU A 112 9.046 -6.508 9.943 1.00 43.24 H new ATOM 0 HB3 GLU A 112 8.304 -5.602 11.247 1.00 43.24 H new ATOM 0 HG2 GLU A 112 9.711 -8.300 11.482 1.00 55.11 H new ATOM 0 HG3 GLU A 112 10.308 -6.757 12.061 1.00 55.11 H new ATOM 1907 N ALA A 113 6.351 -6.957 8.284 1.00 75.03 N ATOM 1908 CA ALA A 113 5.475 -6.423 7.217 1.00 55.13 C ATOM 1909 C ALA A 113 4.009 -6.805 7.472 1.00 61.34 C ATOM 1910 O ALA A 113 3.100 -5.993 7.267 1.00 73.21 O ATOM 1911 CB ALA A 113 5.946 -6.916 5.841 1.00 44.32 C ATOM 0 H ALA A 113 6.990 -7.685 7.964 1.00 75.03 H new ATOM 0 HA ALA A 113 5.540 -5.335 7.228 1.00 55.13 H new ATOM 0 HB1 ALA A 113 5.292 -6.515 5.067 1.00 44.32 H new ATOM 0 HB2 ALA A 113 6.967 -6.579 5.664 1.00 44.32 H new ATOM 0 HB3 ALA A 113 5.914 -8.005 5.814 1.00 44.32 H new ATOM 1917 N LEU A 114 3.812 -8.051 7.959 1.00 32.05 N ATOM 1918 CA LEU A 114 2.485 -8.578 8.354 1.00 24.42 C ATOM 1919 C LEU A 114 1.936 -7.807 9.577 1.00 21.23 C ATOM 1920 O LEU A 114 0.722 -7.676 9.755 1.00 32.22 O ATOM 1921 CB LEU A 114 2.580 -10.095 8.699 1.00 35.40 C ATOM 1922 CG LEU A 114 3.249 -11.027 7.637 1.00 64.04 C ATOM 1923 CD1 LEU A 114 3.163 -12.511 8.056 1.00 62.35 C ATOM 1924 CD2 LEU A 114 2.655 -10.803 6.237 1.00 73.11 C ATOM 0 H LEU A 114 4.570 -8.721 8.090 1.00 32.05 H new ATOM 0 HA LEU A 114 1.806 -8.444 7.512 1.00 24.42 H new ATOM 0 HB2 LEU A 114 3.133 -10.195 9.633 1.00 35.40 H new ATOM 0 HB3 LEU A 114 1.571 -10.463 8.885 1.00 35.40 H new ATOM 0 HG LEU A 114 4.305 -10.761 7.589 1.00 64.04 H new ATOM 0 HD11 LEU A 114 3.637 -13.132 7.296 1.00 62.35 H new ATOM 0 HD12 LEU A 114 3.674 -12.650 9.009 1.00 62.35 H new ATOM 0 HD13 LEU A 114 2.117 -12.800 8.159 1.00 62.35 H new ATOM 0 HD21 LEU A 114 3.143 -11.467 5.524 1.00 73.11 H new ATOM 0 HD22 LEU A 114 1.586 -11.015 6.257 1.00 73.11 H new ATOM 0 HD23 LEU A 114 2.814 -9.768 5.936 1.00 73.11 H new ATOM 1936 N LYS A 115 2.875 -7.317 10.417 1.00 64.11 N ATOM 1937 CA LYS A 115 2.570 -6.573 11.650 1.00 64.01 C ATOM 1938 C LYS A 115 1.956 -5.194 11.335 1.00 71.10 C ATOM 1939 O LYS A 115 0.969 -4.795 11.954 1.00 24.55 O ATOM 1940 CB LYS A 115 3.861 -6.389 12.496 1.00 65.22 C ATOM 1941 CG LYS A 115 3.642 -5.636 13.823 1.00 3.45 C ATOM 1942 CD LYS A 115 4.933 -5.442 14.644 1.00 14.20 C ATOM 1943 CE LYS A 115 4.651 -4.800 16.010 1.00 42.25 C ATOM 1944 NZ LYS A 115 3.734 -5.638 16.826 1.00 21.31 N ATOM 0 H LYS A 115 3.875 -7.431 10.252 1.00 64.11 H new ATOM 0 HA LYS A 115 1.841 -7.151 12.217 1.00 64.01 H new ATOM 0 HB2 LYS A 115 4.283 -7.370 12.713 1.00 65.22 H new ATOM 0 HB3 LYS A 115 4.598 -5.849 11.902 1.00 65.22 H new ATOM 0 HG2 LYS A 115 3.207 -4.660 13.609 1.00 3.45 H new ATOM 0 HG3 LYS A 115 2.917 -6.183 14.426 1.00 3.45 H new ATOM 0 HD2 LYS A 115 5.419 -6.407 14.790 1.00 14.20 H new ATOM 0 HD3 LYS A 115 5.628 -4.816 14.085 1.00 14.20 H new ATOM 0 HE2 LYS A 115 5.589 -4.657 16.546 1.00 42.25 H new ATOM 0 HE3 LYS A 115 4.212 -3.813 15.866 1.00 42.25 H new ATOM 0 HZ1 LYS A 115 3.787 -5.343 17.822 1.00 21.31 H new ATOM 0 HZ2 LYS A 115 2.759 -5.522 16.482 1.00 21.31 H new ATOM 0 HZ3 LYS A 115 4.013 -6.637 16.746 1.00 21.31 H new ATOM 1958 N ILE A 116 2.559 -4.480 10.364 1.00 54.11 N ATOM 1959 CA ILE A 116 2.148 -3.103 10.004 1.00 74.21 C ATOM 1960 C ILE A 116 0.759 -3.075 9.315 1.00 23.21 C ATOM 1961 O ILE A 116 0.042 -2.069 9.394 1.00 23.11 O ATOM 1962 CB ILE A 116 3.232 -2.376 9.119 1.00 22.12 C ATOM 1963 CG1 ILE A 116 4.618 -2.359 9.850 1.00 40.52 C ATOM 1964 CG2 ILE A 116 2.783 -0.936 8.752 1.00 20.45 C ATOM 1965 CD1 ILE A 116 5.689 -1.511 9.184 1.00 73.41 C ATOM 0 H ILE A 116 3.338 -4.835 9.810 1.00 54.11 H new ATOM 0 HA ILE A 116 2.063 -2.550 10.940 1.00 74.21 H new ATOM 0 HB ILE A 116 3.340 -2.936 8.190 1.00 22.12 H new ATOM 0 HG12 ILE A 116 4.470 -1.996 10.867 1.00 40.52 H new ATOM 0 HG13 ILE A 116 4.983 -3.383 9.927 1.00 40.52 H new ATOM 0 HG21 ILE A 116 3.551 -0.460 8.142 1.00 20.45 H new ATOM 0 HG22 ILE A 116 1.849 -0.978 8.192 1.00 20.45 H new ATOM 0 HG23 ILE A 116 2.634 -0.358 9.664 1.00 20.45 H new ATOM 0 HD11 ILE A 116 6.609 -1.565 9.765 1.00 73.41 H new ATOM 0 HD12 ILE A 116 5.874 -1.884 8.177 1.00 73.41 H new ATOM 0 HD13 ILE A 116 5.353 -0.475 9.132 1.00 73.41 H new ATOM 1977 N VAL A 117 0.382 -4.191 8.656 1.00 1.22 N ATOM 1978 CA VAL A 117 -0.990 -4.386 8.118 1.00 71.34 C ATOM 1979 C VAL A 117 -2.033 -4.205 9.257 1.00 4.30 C ATOM 1980 O VAL A 117 -3.085 -3.583 9.069 1.00 53.54 O ATOM 1981 CB VAL A 117 -1.144 -5.812 7.447 1.00 34.13 C ATOM 1982 CG1 VAL A 117 -2.576 -6.046 6.893 1.00 41.41 C ATOM 1983 CG2 VAL A 117 -0.079 -6.011 6.339 1.00 44.43 C ATOM 0 H VAL A 117 1.009 -4.977 8.481 1.00 1.22 H new ATOM 0 HA VAL A 117 -1.168 -3.636 7.348 1.00 71.34 H new ATOM 0 HB VAL A 117 -0.979 -6.558 8.225 1.00 34.13 H new ATOM 0 HG11 VAL A 117 -2.634 -7.037 6.442 1.00 41.41 H new ATOM 0 HG12 VAL A 117 -3.297 -5.975 7.707 1.00 41.41 H new ATOM 0 HG13 VAL A 117 -2.803 -5.291 6.140 1.00 41.41 H new ATOM 0 HG21 VAL A 117 -0.201 -6.997 5.890 1.00 44.43 H new ATOM 0 HG22 VAL A 117 -0.203 -5.245 5.573 1.00 44.43 H new ATOM 0 HG23 VAL A 117 0.917 -5.931 6.774 1.00 44.43 H new ATOM 1993 N ARG A 118 -1.668 -4.711 10.451 1.00 3.52 N ATOM 1994 CA ARG A 118 -2.481 -4.610 11.679 1.00 44.31 C ATOM 1995 C ARG A 118 -2.413 -3.177 12.273 1.00 45.21 C ATOM 1996 O ARG A 118 -3.426 -2.637 12.729 1.00 1.35 O ATOM 1997 CB ARG A 118 -1.975 -5.643 12.734 1.00 0.51 C ATOM 1998 CG ARG A 118 -1.858 -7.093 12.210 1.00 71.43 C ATOM 1999 CD ARG A 118 -1.251 -8.058 13.252 1.00 74.23 C ATOM 2000 NE ARG A 118 -1.146 -9.426 12.729 1.00 73.22 N ATOM 2001 CZ ARG A 118 -0.835 -10.525 13.439 1.00 2.22 C ATOM 2002 NH1 ARG A 118 -0.587 -10.465 14.749 1.00 52.31 N ATOM 2003 NH2 ARG A 118 -0.778 -11.693 12.817 1.00 43.42 N ATOM 0 H ARG A 118 -0.788 -5.208 10.592 1.00 3.52 H new ATOM 0 HA ARG A 118 -3.518 -4.827 11.423 1.00 44.31 H new ATOM 0 HB2 ARG A 118 -0.999 -5.322 13.098 1.00 0.51 H new ATOM 0 HB3 ARG A 118 -2.653 -5.633 13.588 1.00 0.51 H new ATOM 0 HG2 ARG A 118 -2.846 -7.451 11.922 1.00 71.43 H new ATOM 0 HG3 ARG A 118 -1.241 -7.101 11.311 1.00 71.43 H new ATOM 0 HD2 ARG A 118 -0.263 -7.703 13.544 1.00 74.23 H new ATOM 0 HD3 ARG A 118 -1.868 -8.058 14.151 1.00 74.23 H new ATOM 0 HE ARG A 118 -1.326 -9.555 11.733 1.00 73.22 H new ATOM 0 HH11 ARG A 118 -0.631 -9.570 15.236 1.00 52.31 H new ATOM 0 HH12 ARG A 118 -0.353 -11.314 15.263 1.00 52.31 H new ATOM 0 HH21 ARG A 118 -0.968 -11.748 11.816 1.00 43.42 H new ATOM 0 HH22 ARG A 118 -0.544 -12.538 13.339 1.00 43.42 H new ATOM 2017 N GLU A 119 -1.188 -2.590 12.282 1.00 21.41 N ATOM 2018 CA GLU A 119 -0.936 -1.221 12.805 1.00 23.44 C ATOM 2019 C GLU A 119 -1.718 -0.141 12.020 1.00 13.14 C ATOM 2020 O GLU A 119 -2.138 0.854 12.596 1.00 5.11 O ATOM 2021 CB GLU A 119 0.583 -0.897 12.810 1.00 54.31 C ATOM 2022 CG GLU A 119 1.426 -1.876 13.654 1.00 11.35 C ATOM 2023 CD GLU A 119 2.874 -1.412 13.867 1.00 11.21 C ATOM 2024 OE1 GLU A 119 3.679 -1.491 12.923 1.00 71.01 O ATOM 2025 OE2 GLU A 119 3.211 -0.956 14.986 1.00 71.32 O ATOM 0 H GLU A 119 -0.350 -3.051 11.928 1.00 21.41 H new ATOM 0 HA GLU A 119 -1.300 -1.204 13.832 1.00 23.44 H new ATOM 0 HB2 GLU A 119 0.951 -0.907 11.784 1.00 54.31 H new ATOM 0 HB3 GLU A 119 0.728 0.114 13.191 1.00 54.31 H new ATOM 0 HG2 GLU A 119 0.949 -2.009 14.625 1.00 11.35 H new ATOM 0 HG3 GLU A 119 1.433 -2.851 13.166 1.00 11.35 H new ATOM 2032 N PHE A 120 -1.911 -0.354 10.706 1.00 43.21 N ATOM 2033 CA PHE A 120 -2.756 0.506 9.845 1.00 43.13 C ATOM 2034 C PHE A 120 -4.177 0.654 10.429 1.00 3.52 C ATOM 2035 O PHE A 120 -4.723 1.765 10.494 1.00 63.53 O ATOM 2036 CB PHE A 120 -2.819 -0.089 8.402 1.00 22.21 C ATOM 2037 CG PHE A 120 -3.963 0.441 7.529 1.00 14.03 C ATOM 2038 CD1 PHE A 120 -3.932 1.724 6.999 1.00 33.21 C ATOM 2039 CD2 PHE A 120 -5.082 -0.343 7.264 1.00 22.21 C ATOM 2040 CE1 PHE A 120 -4.980 2.201 6.231 1.00 24.13 C ATOM 2041 CE2 PHE A 120 -6.126 0.132 6.505 1.00 63.11 C ATOM 2042 CZ PHE A 120 -6.075 1.401 5.989 1.00 75.12 C ATOM 0 H PHE A 120 -1.484 -1.132 10.204 1.00 43.21 H new ATOM 0 HA PHE A 120 -2.308 1.499 9.804 1.00 43.13 H new ATOM 0 HB2 PHE A 120 -1.874 0.117 7.899 1.00 22.21 H new ATOM 0 HB3 PHE A 120 -2.911 -1.173 8.476 1.00 22.21 H new ATOM 0 HD1 PHE A 120 -3.079 2.358 7.189 1.00 33.21 H new ATOM 0 HD2 PHE A 120 -5.132 -1.345 7.663 1.00 22.21 H new ATOM 0 HE1 PHE A 120 -4.939 3.200 5.822 1.00 24.13 H new ATOM 0 HE2 PHE A 120 -6.985 -0.494 6.316 1.00 63.11 H new ATOM 0 HZ PHE A 120 -6.894 1.774 5.392 1.00 75.12 H new ATOM 2052 N MET A 121 -4.734 -0.487 10.855 1.00 20.34 N ATOM 2053 CA MET A 121 -6.124 -0.593 11.329 1.00 65.23 C ATOM 2054 C MET A 121 -6.361 0.299 12.568 1.00 74.05 C ATOM 2055 O MET A 121 -7.378 0.999 12.655 1.00 15.42 O ATOM 2056 CB MET A 121 -6.475 -2.075 11.640 1.00 64.14 C ATOM 2057 CG MET A 121 -6.113 -3.058 10.508 1.00 4.22 C ATOM 2058 SD MET A 121 -6.790 -2.543 8.916 1.00 71.31 S ATOM 2059 CE MET A 121 -6.071 -3.714 7.753 1.00 43.20 C ATOM 0 H MET A 121 -4.229 -1.373 10.881 1.00 20.34 H new ATOM 0 HA MET A 121 -6.783 -0.238 10.536 1.00 65.23 H new ATOM 0 HB2 MET A 121 -5.955 -2.377 12.549 1.00 64.14 H new ATOM 0 HB3 MET A 121 -7.543 -2.149 11.844 1.00 64.14 H new ATOM 0 HG2 MET A 121 -5.029 -3.138 10.431 1.00 4.22 H new ATOM 0 HG3 MET A 121 -6.489 -4.050 10.757 1.00 4.22 H new ATOM 0 HE1 MET A 121 -5.774 -3.189 6.845 1.00 43.20 H new ATOM 0 HE2 MET A 121 -5.197 -4.184 8.203 1.00 43.20 H new ATOM 0 HE3 MET A 121 -6.807 -4.479 7.505 1.00 43.20 H new ATOM 2069 N GLN A 122 -5.383 0.296 13.502 1.00 0.51 N ATOM 2070 CA GLN A 122 -5.474 1.052 14.767 1.00 2.32 C ATOM 2071 C GLN A 122 -5.127 2.553 14.570 1.00 71.23 C ATOM 2072 O GLN A 122 -5.717 3.419 15.221 1.00 21.24 O ATOM 2073 CB GLN A 122 -4.560 0.408 15.857 1.00 74.02 C ATOM 2074 CG GLN A 122 -3.046 0.512 15.594 1.00 35.12 C ATOM 2075 CD GLN A 122 -2.189 -0.201 16.637 1.00 71.15 C ATOM 2076 OE1 GLN A 122 -1.840 -1.368 16.475 1.00 35.20 O ATOM 2077 NE2 GLN A 122 -1.869 0.478 17.731 1.00 25.12 N ATOM 0 H GLN A 122 -4.514 -0.228 13.399 1.00 0.51 H new ATOM 0 HA GLN A 122 -6.509 1.002 15.106 1.00 2.32 H new ATOM 0 HB2 GLN A 122 -4.779 0.879 16.815 1.00 74.02 H new ATOM 0 HB3 GLN A 122 -4.824 -0.645 15.952 1.00 74.02 H new ATOM 0 HG2 GLN A 122 -2.828 0.094 14.611 1.00 35.12 H new ATOM 0 HG3 GLN A 122 -2.763 1.564 15.563 1.00 35.12 H new ATOM 0 HE21 GLN A 122 -2.173 1.446 17.838 1.00 25.12 H new ATOM 0 HE22 GLN A 122 -1.319 0.032 18.465 1.00 25.12 H new