USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 847 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 49 LYS NZ :NH3+ 136:sc= 1.6 (180deg=0.366) USER MOD Set 1.2: A 72 TYR OH : rot 130:sc= 0.62 USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0399 (180deg=-0.358) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0332) USER MOD Single : A 9 THR OG1 : rot -151:sc= 0.526 USER MOD Single : A 10 SER OG : rot 170:sc= -0.0858 USER MOD Single : A 12 GLN : amide:sc= -0.756 K(o=-0.76,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -112:sc= 0.377 (180deg=0.0156) USER MOD Single : A 20 LYS NZ :NH3+ 148:sc= 1.1 (180deg=0.482) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 36 LYS NZ :NH3+ -144:sc= -0.321 (180deg=-1.98!) USER MOD Single : A 37 GLN : amide:sc= -1.68! K(o=-1.7!,f=-0.12) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -1.34 K(o=-1.3,f=-0.4) USER MOD Single : A 44 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00919) USER MOD Single : A 45 LYS NZ :NH3+ -157:sc= -0.0955 (180deg=-0.483) USER MOD Single : A 48 GLN : amide:sc=-0.00114 X(o=-0.0011,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.384 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.42) USER MOD Single : A 62 LYS NZ :NH3+ 139:sc= 0.729 (180deg=0.00681) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.489 X(o=-0.49,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.0507 K(o=-0.051,f=-0.59) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 82 GLN : amide:sc= -0.0785 X(o=-0.079,f=-0.023) USER MOD Single : A 85 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0165) USER MOD Single : A 88 LYS NZ :NH3+ 177:sc= 0.312 (180deg=0.294) USER MOD Single : A 90 SER OG : rot 48:sc= 0.0949 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HE2:sc= 0.582 K(o=0.58,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.678 14.455 -8.601 1.00 23.40 N ATOM 2 CA MET A 1 3.231 14.150 -8.463 1.00 2.34 C ATOM 3 C MET A 1 3.027 13.139 -7.332 1.00 72.15 C ATOM 4 O MET A 1 3.607 12.050 -7.369 1.00 45.50 O ATOM 5 CB MET A 1 2.653 13.605 -9.808 1.00 53.12 C ATOM 6 CG MET A 1 2.606 14.644 -10.942 1.00 23.34 C ATOM 7 SD MET A 1 2.013 13.967 -12.508 1.00 12.25 S ATOM 8 CE MET A 1 3.339 12.836 -12.935 1.00 51.10 C ATOM 0 H1 MET A 1 4.808 15.216 -9.298 1.00 23.40 H new ATOM 0 H2 MET A 1 5.058 14.760 -7.682 1.00 23.40 H new ATOM 0 H3 MET A 1 5.183 13.604 -8.919 1.00 23.40 H new ATOM 0 HA MET A 1 2.694 15.066 -8.218 1.00 2.34 H new ATOM 0 HB2 MET A 1 3.256 12.757 -10.132 1.00 53.12 H new ATOM 0 HB3 MET A 1 1.645 13.230 -9.632 1.00 53.12 H new ATOM 0 HG2 MET A 1 1.959 15.469 -10.643 1.00 23.34 H new ATOM 0 HG3 MET A 1 3.604 15.058 -11.088 1.00 23.34 H new ATOM 0 HE1 MET A 1 3.271 12.578 -13.992 1.00 51.10 H new ATOM 0 HE2 MET A 1 4.300 13.312 -12.739 1.00 51.10 H new ATOM 0 HE3 MET A 1 3.253 11.931 -12.334 1.00 51.10 H new ATOM 20 N GLY A 2 2.214 13.507 -6.325 1.00 0.14 N ATOM 21 CA GLY A 2 1.957 12.649 -5.168 1.00 62.33 C ATOM 22 C GLY A 2 0.930 11.556 -5.465 1.00 13.10 C ATOM 23 O GLY A 2 -0.224 11.640 -5.019 1.00 53.00 O ATOM 0 H GLY A 2 1.723 14.401 -6.296 1.00 0.14 H new ATOM 0 HA2 GLY A 2 2.891 12.188 -4.847 1.00 62.33 H new ATOM 0 HA3 GLY A 2 1.602 13.260 -4.338 1.00 62.33 H new ATOM 27 N ARG A 3 1.346 10.547 -6.260 1.00 3.10 N ATOM 28 CA ARG A 3 0.565 9.317 -6.471 1.00 62.12 C ATOM 29 C ARG A 3 0.705 8.414 -5.241 1.00 43.34 C ATOM 30 O ARG A 3 1.821 8.191 -4.751 1.00 54.13 O ATOM 31 CB ARG A 3 1.023 8.568 -7.759 1.00 1.11 C ATOM 32 CG ARG A 3 0.426 7.135 -7.917 1.00 55.50 C ATOM 33 CD ARG A 3 0.667 6.528 -9.309 1.00 72.23 C ATOM 34 NE ARG A 3 -0.050 7.287 -10.354 1.00 65.41 N ATOM 35 CZ ARG A 3 0.488 7.751 -11.489 1.00 24.32 C ATOM 36 NH1 ARG A 3 1.772 7.556 -11.774 1.00 54.24 N ATOM 37 NH2 ARG A 3 -0.284 8.414 -12.338 1.00 61.20 N ATOM 0 H ARG A 3 2.229 10.565 -6.770 1.00 3.10 H new ATOM 0 HA ARG A 3 -0.483 9.585 -6.608 1.00 62.12 H new ATOM 0 HB2 ARG A 3 0.744 9.163 -8.629 1.00 1.11 H new ATOM 0 HB3 ARG A 3 2.111 8.497 -7.756 1.00 1.11 H new ATOM 0 HG2 ARG A 3 0.863 6.481 -7.162 1.00 55.50 H new ATOM 0 HG3 ARG A 3 -0.646 7.172 -7.725 1.00 55.50 H new ATOM 0 HD2 ARG A 3 1.735 6.524 -9.527 1.00 72.23 H new ATOM 0 HD3 ARG A 3 0.336 5.490 -9.318 1.00 72.23 H new ATOM 0 HE ARG A 3 -1.040 7.474 -10.197 1.00 65.41 H new ATOM 0 HH11 ARG A 3 2.367 7.044 -11.122 1.00 54.24 H new ATOM 0 HH12 ARG A 3 2.162 7.918 -12.644 1.00 54.24 H new ATOM 0 HH21 ARG A 3 -1.270 8.563 -12.122 1.00 61.20 H new ATOM 0 HH22 ARG A 3 0.107 8.775 -13.208 1.00 61.20 H new ATOM 51 N LEU A 4 -0.431 7.936 -4.732 1.00 24.13 N ATOM 52 CA LEU A 4 -0.481 7.008 -3.606 1.00 5.45 C ATOM 53 C LEU A 4 -0.919 5.622 -4.096 1.00 73.34 C ATOM 54 O LEU A 4 -1.864 5.504 -4.889 1.00 54.30 O ATOM 55 CB LEU A 4 -1.469 7.526 -2.538 1.00 60.13 C ATOM 56 CG LEU A 4 -1.460 6.758 -1.180 1.00 55.33 C ATOM 57 CD1 LEU A 4 -0.119 6.942 -0.442 1.00 73.33 C ATOM 58 CD2 LEU A 4 -2.642 7.182 -0.294 1.00 34.43 C ATOM 0 H LEU A 4 -1.351 8.186 -5.095 1.00 24.13 H new ATOM 0 HA LEU A 4 0.511 6.933 -3.161 1.00 5.45 H new ATOM 0 HB2 LEU A 4 -1.247 8.575 -2.343 1.00 60.13 H new ATOM 0 HB3 LEU A 4 -2.477 7.485 -2.951 1.00 60.13 H new ATOM 0 HG LEU A 4 -1.574 5.697 -1.401 1.00 55.33 H new ATOM 0 HD11 LEU A 4 -0.144 6.395 0.500 1.00 73.33 H new ATOM 0 HD12 LEU A 4 0.693 6.560 -1.062 1.00 73.33 H new ATOM 0 HD13 LEU A 4 0.044 8.001 -0.242 1.00 73.33 H new ATOM 0 HD21 LEU A 4 -2.609 6.630 0.645 1.00 34.43 H new ATOM 0 HD22 LEU A 4 -2.578 8.251 -0.089 1.00 34.43 H new ATOM 0 HD23 LEU A 4 -3.578 6.966 -0.809 1.00 34.43 H new ATOM 70 N VAL A 5 -0.210 4.586 -3.642 1.00 13.42 N ATOM 71 CA VAL A 5 -0.629 3.190 -3.793 1.00 3.41 C ATOM 72 C VAL A 5 -0.949 2.647 -2.403 1.00 21.12 C ATOM 73 O VAL A 5 -0.053 2.539 -1.561 1.00 55.50 O ATOM 74 CB VAL A 5 0.475 2.312 -4.500 1.00 61.44 C ATOM 75 CG1 VAL A 5 0.130 0.801 -4.468 1.00 34.05 C ATOM 76 CG2 VAL A 5 0.694 2.779 -5.954 1.00 61.53 C ATOM 0 H VAL A 5 0.680 4.693 -3.155 1.00 13.42 H new ATOM 0 HA VAL A 5 -1.509 3.144 -4.435 1.00 3.41 H new ATOM 0 HB VAL A 5 1.399 2.449 -3.939 1.00 61.44 H new ATOM 0 HG11 VAL A 5 0.919 0.237 -4.966 1.00 34.05 H new ATOM 0 HG12 VAL A 5 0.045 0.469 -3.433 1.00 34.05 H new ATOM 0 HG13 VAL A 5 -0.816 0.633 -4.982 1.00 34.05 H new ATOM 0 HG21 VAL A 5 1.459 2.161 -6.423 1.00 61.53 H new ATOM 0 HG22 VAL A 5 -0.239 2.687 -6.510 1.00 61.53 H new ATOM 0 HG23 VAL A 5 1.017 3.820 -5.957 1.00 61.53 H new ATOM 86 N VAL A 6 -2.234 2.344 -2.143 1.00 72.42 N ATOM 87 CA VAL A 6 -2.642 1.758 -0.863 1.00 52.32 C ATOM 88 C VAL A 6 -2.739 0.246 -1.044 1.00 64.14 C ATOM 89 O VAL A 6 -3.701 -0.271 -1.619 1.00 64.34 O ATOM 90 CB VAL A 6 -4.004 2.313 -0.320 1.00 3.54 C ATOM 91 CG1 VAL A 6 -4.330 1.700 1.065 1.00 62.15 C ATOM 92 CG2 VAL A 6 -4.006 3.852 -0.249 1.00 43.33 C ATOM 0 H VAL A 6 -2.999 2.496 -2.800 1.00 72.42 H new ATOM 0 HA VAL A 6 -1.891 2.030 -0.122 1.00 52.32 H new ATOM 0 HB VAL A 6 -4.782 2.018 -1.023 1.00 3.54 H new ATOM 0 HG11 VAL A 6 -5.279 2.098 1.425 1.00 62.15 H new ATOM 0 HG12 VAL A 6 -4.402 0.616 0.975 1.00 62.15 H new ATOM 0 HG13 VAL A 6 -3.539 1.954 1.771 1.00 62.15 H new ATOM 0 HG21 VAL A 6 -4.967 4.197 0.132 1.00 43.33 H new ATOM 0 HG22 VAL A 6 -3.210 4.187 0.417 1.00 43.33 H new ATOM 0 HG23 VAL A 6 -3.842 4.262 -1.245 1.00 43.33 H new ATOM 102 N VAL A 7 -1.707 -0.438 -0.585 1.00 44.45 N ATOM 103 CA VAL A 7 -1.658 -1.891 -0.568 1.00 32.21 C ATOM 104 C VAL A 7 -2.353 -2.406 0.703 1.00 63.23 C ATOM 105 O VAL A 7 -2.231 -1.807 1.767 1.00 52.50 O ATOM 106 CB VAL A 7 -0.177 -2.386 -0.603 1.00 11.44 C ATOM 107 CG1 VAL A 7 -0.084 -3.920 -0.665 1.00 51.21 C ATOM 108 CG2 VAL A 7 0.616 -1.739 -1.759 1.00 64.32 C ATOM 0 H VAL A 7 -0.868 0.004 -0.209 1.00 44.45 H new ATOM 0 HA VAL A 7 -2.172 -2.277 -1.448 1.00 32.21 H new ATOM 0 HB VAL A 7 0.280 -2.067 0.334 1.00 11.44 H new ATOM 0 HG11 VAL A 7 0.964 -4.220 -0.688 1.00 51.21 H new ATOM 0 HG12 VAL A 7 -0.566 -4.350 0.213 1.00 51.21 H new ATOM 0 HG13 VAL A 7 -0.584 -4.279 -1.565 1.00 51.21 H new ATOM 0 HG21 VAL A 7 1.641 -2.109 -1.749 1.00 64.32 H new ATOM 0 HG22 VAL A 7 0.147 -1.994 -2.709 1.00 64.32 H new ATOM 0 HG23 VAL A 7 0.620 -0.656 -1.636 1.00 64.32 H new ATOM 118 N VAL A 8 -3.092 -3.503 0.559 1.00 34.25 N ATOM 119 CA VAL A 8 -3.797 -4.187 1.651 1.00 53.05 C ATOM 120 C VAL A 8 -3.497 -5.686 1.548 1.00 33.05 C ATOM 121 O VAL A 8 -3.109 -6.173 0.481 1.00 24.41 O ATOM 122 CB VAL A 8 -5.355 -3.948 1.576 1.00 2.12 C ATOM 123 CG1 VAL A 8 -5.716 -2.462 1.809 1.00 52.45 C ATOM 124 CG2 VAL A 8 -5.928 -4.450 0.228 1.00 33.04 C ATOM 0 H VAL A 8 -3.224 -3.957 -0.345 1.00 34.25 H new ATOM 0 HA VAL A 8 -3.451 -3.786 2.604 1.00 53.05 H new ATOM 0 HB VAL A 8 -5.813 -4.527 2.378 1.00 2.12 H new ATOM 0 HG11 VAL A 8 -6.797 -2.337 1.750 1.00 52.45 H new ATOM 0 HG12 VAL A 8 -5.368 -2.153 2.795 1.00 52.45 H new ATOM 0 HG13 VAL A 8 -5.237 -1.847 1.047 1.00 52.45 H new ATOM 0 HG21 VAL A 8 -7.003 -4.274 0.202 1.00 33.04 H new ATOM 0 HG22 VAL A 8 -5.452 -3.913 -0.592 1.00 33.04 H new ATOM 0 HG23 VAL A 8 -5.733 -5.517 0.125 1.00 33.04 H new ATOM 134 N THR A 9 -3.654 -6.414 2.655 1.00 62.23 N ATOM 135 CA THR A 9 -3.483 -7.883 2.677 1.00 64.45 C ATOM 136 C THR A 9 -4.832 -8.603 2.860 1.00 43.32 C ATOM 137 O THR A 9 -4.887 -9.841 2.894 1.00 44.52 O ATOM 138 CB THR A 9 -2.473 -8.301 3.791 1.00 31.32 C ATOM 139 OG1 THR A 9 -2.849 -7.685 5.034 1.00 61.04 O ATOM 140 CG2 THR A 9 -1.025 -7.904 3.427 1.00 74.15 C ATOM 0 H THR A 9 -3.902 -6.013 3.560 1.00 62.23 H new ATOM 0 HA THR A 9 -3.077 -8.187 1.712 1.00 64.45 H new ATOM 0 HB THR A 9 -2.505 -9.386 3.887 1.00 31.32 H new ATOM 0 HG1 THR A 9 -2.050 -7.545 5.585 1.00 61.04 H new ATOM 0 HG21 THR A 9 -0.351 -8.212 4.227 1.00 74.15 H new ATOM 0 HG22 THR A 9 -0.735 -8.397 2.499 1.00 74.15 H new ATOM 0 HG23 THR A 9 -0.965 -6.823 3.298 1.00 74.15 H new ATOM 148 N SER A 10 -5.921 -7.820 2.956 1.00 51.42 N ATOM 149 CA SER A 10 -7.290 -8.335 3.113 1.00 51.23 C ATOM 150 C SER A 10 -8.167 -7.825 1.963 1.00 65.04 C ATOM 151 O SER A 10 -8.085 -6.649 1.587 1.00 12.01 O ATOM 152 CB SER A 10 -7.875 -7.894 4.476 1.00 22.13 C ATOM 153 OG SER A 10 -9.253 -8.216 4.596 1.00 71.20 O ATOM 0 H SER A 10 -5.873 -6.802 2.926 1.00 51.42 H new ATOM 0 HA SER A 10 -7.268 -9.424 3.086 1.00 51.23 H new ATOM 0 HB2 SER A 10 -7.319 -8.375 5.281 1.00 22.13 H new ATOM 0 HB3 SER A 10 -7.743 -6.819 4.596 1.00 22.13 H new ATOM 0 HG SER A 10 -9.544 -8.071 5.521 1.00 71.20 H new ATOM 159 N GLU A 11 -8.980 -8.732 1.398 1.00 41.53 N ATOM 160 CA GLU A 11 -9.996 -8.409 0.379 1.00 3.04 C ATOM 161 C GLU A 11 -11.093 -7.497 0.976 1.00 25.51 C ATOM 162 O GLU A 11 -11.655 -6.648 0.279 1.00 42.40 O ATOM 163 CB GLU A 11 -10.600 -9.732 -0.168 1.00 62.13 C ATOM 164 CG GLU A 11 -9.542 -10.702 -0.745 1.00 13.45 C ATOM 165 CD GLU A 11 -10.108 -12.078 -1.130 1.00 20.41 C ATOM 166 OE1 GLU A 11 -10.167 -12.970 -0.259 1.00 51.23 O ATOM 167 OE2 GLU A 11 -10.495 -12.276 -2.303 1.00 12.11 O ATOM 0 H GLU A 11 -8.951 -9.723 1.638 1.00 41.53 H new ATOM 0 HA GLU A 11 -9.532 -7.864 -0.443 1.00 3.04 H new ATOM 0 HB2 GLU A 11 -11.142 -10.233 0.634 1.00 62.13 H new ATOM 0 HB3 GLU A 11 -11.327 -9.496 -0.945 1.00 62.13 H new ATOM 0 HG2 GLU A 11 -9.087 -10.247 -1.625 1.00 13.45 H new ATOM 0 HG3 GLU A 11 -8.748 -10.838 -0.010 1.00 13.45 H new ATOM 174 N GLN A 12 -11.354 -7.682 2.289 1.00 21.34 N ATOM 175 CA GLN A 12 -12.290 -6.845 3.066 1.00 45.03 C ATOM 176 C GLN A 12 -11.752 -5.405 3.213 1.00 33.02 C ATOM 177 O GLN A 12 -12.524 -4.449 3.296 1.00 75.04 O ATOM 178 CB GLN A 12 -12.531 -7.466 4.466 1.00 61.41 C ATOM 179 CG GLN A 12 -13.138 -8.885 4.444 1.00 54.25 C ATOM 180 CD GLN A 12 -13.253 -9.543 5.830 1.00 61.14 C ATOM 181 OE1 GLN A 12 -14.159 -10.341 6.083 1.00 62.43 O ATOM 182 NE2 GLN A 12 -12.324 -9.242 6.735 1.00 22.42 N ATOM 0 H GLN A 12 -10.918 -8.421 2.841 1.00 21.34 H new ATOM 0 HA GLN A 12 -13.236 -6.805 2.526 1.00 45.03 H new ATOM 0 HB2 GLN A 12 -11.583 -7.499 5.002 1.00 61.41 H new ATOM 0 HB3 GLN A 12 -13.194 -6.810 5.031 1.00 61.41 H new ATOM 0 HG2 GLN A 12 -14.129 -8.837 3.994 1.00 54.25 H new ATOM 0 HG3 GLN A 12 -12.527 -9.520 3.802 1.00 54.25 H new ATOM 0 HE21 GLN A 12 -11.584 -8.579 6.505 1.00 22.42 H new ATOM 0 HE22 GLN A 12 -12.353 -9.674 7.659 1.00 22.42 H new ATOM 191 N LEU A 13 -10.416 -5.268 3.273 1.00 32.51 N ATOM 192 CA LEU A 13 -9.748 -3.955 3.325 1.00 14.14 C ATOM 193 C LEU A 13 -9.561 -3.360 1.915 1.00 64.25 C ATOM 194 O LEU A 13 -9.429 -2.144 1.775 1.00 51.32 O ATOM 195 CB LEU A 13 -8.395 -4.065 4.081 1.00 44.52 C ATOM 196 CG LEU A 13 -8.503 -4.326 5.618 1.00 74.21 C ATOM 197 CD1 LEU A 13 -7.106 -4.490 6.260 1.00 51.52 C ATOM 198 CD2 LEU A 13 -9.317 -3.205 6.306 1.00 71.53 C ATOM 0 H LEU A 13 -9.772 -6.059 3.287 1.00 32.51 H new ATOM 0 HA LEU A 13 -10.390 -3.269 3.877 1.00 14.14 H new ATOM 0 HB2 LEU A 13 -7.813 -4.871 3.633 1.00 44.52 H new ATOM 0 HB3 LEU A 13 -7.835 -3.143 3.925 1.00 44.52 H new ATOM 0 HG LEU A 13 -9.036 -5.265 5.766 1.00 74.21 H new ATOM 0 HD11 LEU A 13 -7.216 -4.670 7.329 1.00 51.52 H new ATOM 0 HD12 LEU A 13 -6.591 -5.334 5.801 1.00 51.52 H new ATOM 0 HD13 LEU A 13 -6.525 -3.581 6.103 1.00 51.52 H new ATOM 0 HD21 LEU A 13 -9.381 -3.405 7.376 1.00 71.53 H new ATOM 0 HD22 LEU A 13 -8.824 -2.246 6.145 1.00 71.53 H new ATOM 0 HD23 LEU A 13 -10.321 -3.172 5.883 1.00 71.53 H new ATOM 210 N LYS A 14 -9.558 -4.222 0.873 1.00 74.42 N ATOM 211 CA LYS A 14 -9.468 -3.764 -0.528 1.00 62.35 C ATOM 212 C LYS A 14 -10.742 -2.997 -0.908 1.00 42.33 C ATOM 213 O LYS A 14 -10.671 -1.856 -1.369 1.00 42.52 O ATOM 214 CB LYS A 14 -9.234 -4.961 -1.496 1.00 24.04 C ATOM 215 CG LYS A 14 -9.053 -4.555 -2.980 1.00 22.42 C ATOM 216 CD LYS A 14 -8.876 -5.774 -3.918 1.00 42.22 C ATOM 217 CE LYS A 14 -8.737 -5.362 -5.394 1.00 5.32 C ATOM 218 NZ LYS A 14 -8.676 -6.535 -6.308 1.00 61.24 N ATOM 0 H LYS A 14 -9.617 -5.235 0.977 1.00 74.42 H new ATOM 0 HA LYS A 14 -8.612 -3.095 -0.620 1.00 62.35 H new ATOM 0 HB2 LYS A 14 -8.349 -5.508 -1.171 1.00 24.04 H new ATOM 0 HB3 LYS A 14 -10.079 -5.646 -1.419 1.00 24.04 H new ATOM 0 HG2 LYS A 14 -9.919 -3.977 -3.302 1.00 22.42 H new ATOM 0 HG3 LYS A 14 -8.184 -3.904 -3.070 1.00 22.42 H new ATOM 0 HD2 LYS A 14 -7.993 -6.337 -3.616 1.00 42.22 H new ATOM 0 HD3 LYS A 14 -9.731 -6.441 -3.809 1.00 42.22 H new ATOM 0 HE2 LYS A 14 -9.581 -4.731 -5.673 1.00 5.32 H new ATOM 0 HE3 LYS A 14 -7.836 -4.762 -5.517 1.00 5.32 H new ATOM 0 HZ1 LYS A 14 -8.583 -6.205 -7.290 1.00 61.24 H new ATOM 0 HZ2 LYS A 14 -7.856 -7.125 -6.061 1.00 61.24 H new ATOM 0 HZ3 LYS A 14 -9.547 -7.095 -6.212 1.00 61.24 H new ATOM 232 N GLU A 15 -11.905 -3.635 -0.653 1.00 12.03 N ATOM 233 CA GLU A 15 -13.228 -3.043 -0.922 1.00 0.04 C ATOM 234 C GLU A 15 -13.462 -1.779 -0.065 1.00 31.51 C ATOM 235 O GLU A 15 -14.167 -0.867 -0.487 1.00 41.42 O ATOM 236 CB GLU A 15 -14.357 -4.087 -0.676 1.00 22.44 C ATOM 237 CG GLU A 15 -14.427 -4.639 0.760 1.00 14.34 C ATOM 238 CD GLU A 15 -15.592 -5.612 0.993 1.00 43.34 C ATOM 239 OE1 GLU A 15 -16.728 -5.149 1.179 1.00 24.50 O ATOM 240 OE2 GLU A 15 -15.387 -6.838 0.974 1.00 54.55 O ATOM 0 H GLU A 15 -11.950 -4.573 -0.256 1.00 12.03 H new ATOM 0 HA GLU A 15 -13.253 -2.746 -1.970 1.00 0.04 H new ATOM 0 HB2 GLU A 15 -15.315 -3.629 -0.921 1.00 22.44 H new ATOM 0 HB3 GLU A 15 -14.217 -4.921 -1.364 1.00 22.44 H new ATOM 0 HG2 GLU A 15 -13.490 -5.146 0.990 1.00 14.34 H new ATOM 0 HG3 GLU A 15 -14.517 -3.805 1.456 1.00 14.34 H new ATOM 247 N GLU A 16 -12.836 -1.743 1.126 1.00 44.41 N ATOM 248 CA GLU A 16 -12.946 -0.617 2.068 1.00 71.33 C ATOM 249 C GLU A 16 -12.232 0.637 1.523 1.00 72.12 C ATOM 250 O GLU A 16 -12.822 1.724 1.467 1.00 11.00 O ATOM 251 CB GLU A 16 -12.352 -1.040 3.441 1.00 43.21 C ATOM 252 CG GLU A 16 -12.478 0.008 4.573 1.00 1.43 C ATOM 253 CD GLU A 16 -13.927 0.448 4.849 1.00 70.02 C ATOM 254 OE1 GLU A 16 -14.809 -0.422 5.014 1.00 1.22 O ATOM 255 OE2 GLU A 16 -14.200 1.662 4.888 1.00 30.33 O ATOM 0 H GLU A 16 -12.238 -2.498 1.462 1.00 44.41 H new ATOM 0 HA GLU A 16 -13.998 -0.361 2.194 1.00 71.33 H new ATOM 0 HB2 GLU A 16 -12.844 -1.958 3.763 1.00 43.21 H new ATOM 0 HB3 GLU A 16 -11.297 -1.276 3.304 1.00 43.21 H new ATOM 0 HG2 GLU A 16 -12.052 -0.405 5.488 1.00 1.43 H new ATOM 0 HG3 GLU A 16 -11.885 0.884 4.313 1.00 1.43 H new ATOM 262 N VAL A 17 -10.956 0.467 1.130 1.00 74.32 N ATOM 263 CA VAL A 17 -10.127 1.573 0.623 1.00 1.33 C ATOM 264 C VAL A 17 -10.589 2.059 -0.773 1.00 3.24 C ATOM 265 O VAL A 17 -10.550 3.255 -1.028 1.00 45.34 O ATOM 266 CB VAL A 17 -8.601 1.191 0.595 1.00 3.51 C ATOM 267 CG1 VAL A 17 -7.738 2.355 0.049 1.00 40.22 C ATOM 268 CG2 VAL A 17 -8.101 0.766 2.000 1.00 1.10 C ATOM 0 H VAL A 17 -10.476 -0.432 1.155 1.00 74.32 H new ATOM 0 HA VAL A 17 -10.259 2.399 1.321 1.00 1.33 H new ATOM 0 HB VAL A 17 -8.495 0.341 -0.079 1.00 3.51 H new ATOM 0 HG11 VAL A 17 -6.689 2.058 0.043 1.00 40.22 H new ATOM 0 HG12 VAL A 17 -8.053 2.596 -0.966 1.00 40.22 H new ATOM 0 HG13 VAL A 17 -7.864 3.231 0.686 1.00 40.22 H new ATOM 0 HG21 VAL A 17 -7.043 0.508 1.947 1.00 1.10 H new ATOM 0 HG22 VAL A 17 -8.239 1.590 2.700 1.00 1.10 H new ATOM 0 HG23 VAL A 17 -8.669 -0.099 2.342 1.00 1.10 H new ATOM 278 N ARG A 18 -11.022 1.138 -1.667 1.00 71.02 N ATOM 279 CA ARG A 18 -11.540 1.529 -3.007 1.00 22.33 C ATOM 280 C ARG A 18 -12.855 2.334 -2.870 1.00 62.32 C ATOM 281 O ARG A 18 -13.140 3.213 -3.689 1.00 34.41 O ATOM 282 CB ARG A 18 -11.758 0.302 -3.950 1.00 41.22 C ATOM 283 CG ARG A 18 -10.478 -0.511 -4.262 1.00 2.21 C ATOM 284 CD ARG A 18 -10.554 -1.357 -5.555 1.00 5.03 C ATOM 285 NE ARG A 18 -11.604 -2.395 -5.541 1.00 20.44 N ATOM 286 CZ ARG A 18 -11.822 -3.290 -6.540 1.00 61.44 C ATOM 287 NH1 ARG A 18 -11.063 -3.305 -7.637 1.00 3.02 N ATOM 288 NH2 ARG A 18 -12.811 -4.167 -6.425 1.00 23.14 N ATOM 0 H ARG A 18 -11.025 0.133 -1.492 1.00 71.02 H new ATOM 0 HA ARG A 18 -10.777 2.157 -3.466 1.00 22.33 H new ATOM 0 HB2 ARG A 18 -12.492 -0.363 -3.495 1.00 41.22 H new ATOM 0 HB3 ARG A 18 -12.186 0.654 -4.889 1.00 41.22 H new ATOM 0 HG2 ARG A 18 -9.636 0.177 -4.342 1.00 2.21 H new ATOM 0 HG3 ARG A 18 -10.270 -1.173 -3.422 1.00 2.21 H new ATOM 0 HD2 ARG A 18 -10.728 -0.692 -6.401 1.00 5.03 H new ATOM 0 HD3 ARG A 18 -9.589 -1.836 -5.719 1.00 5.03 H new ATOM 0 HE ARG A 18 -12.210 -2.444 -4.722 1.00 20.44 H new ATOM 0 HH11 ARG A 18 -10.300 -2.635 -7.739 1.00 3.02 H new ATOM 0 HH12 ARG A 18 -11.245 -3.986 -8.374 1.00 3.02 H new ATOM 0 HH21 ARG A 18 -13.400 -4.165 -5.592 1.00 23.14 H new ATOM 0 HH22 ARG A 18 -12.983 -4.843 -7.170 1.00 23.14 H new ATOM 302 N LYS A 19 -13.642 1.999 -1.829 1.00 42.22 N ATOM 303 CA LYS A 19 -14.901 2.697 -1.489 1.00 43.22 C ATOM 304 C LYS A 19 -14.608 4.136 -1.018 1.00 45.03 C ATOM 305 O LYS A 19 -15.228 5.091 -1.498 1.00 10.24 O ATOM 306 CB LYS A 19 -15.637 1.896 -0.384 1.00 74.04 C ATOM 307 CG LYS A 19 -16.995 2.467 0.088 1.00 20.33 C ATOM 308 CD LYS A 19 -17.533 1.743 1.352 1.00 73.25 C ATOM 309 CE LYS A 19 -16.543 1.814 2.535 1.00 30.42 C ATOM 310 NZ LYS A 19 -17.088 1.216 3.783 1.00 72.22 N ATOM 0 H LYS A 19 -13.422 1.231 -1.195 1.00 42.22 H new ATOM 0 HA LYS A 19 -15.536 2.759 -2.373 1.00 43.22 H new ATOM 0 HB2 LYS A 19 -15.800 0.882 -0.748 1.00 74.04 H new ATOM 0 HB3 LYS A 19 -14.978 1.822 0.481 1.00 74.04 H new ATOM 0 HG2 LYS A 19 -16.885 3.530 0.301 1.00 20.33 H new ATOM 0 HG3 LYS A 19 -17.724 2.377 -0.717 1.00 20.33 H new ATOM 0 HD2 LYS A 19 -18.482 2.191 1.648 1.00 73.25 H new ATOM 0 HD3 LYS A 19 -17.734 0.699 1.112 1.00 73.25 H new ATOM 0 HE2 LYS A 19 -15.622 1.298 2.263 1.00 30.42 H new ATOM 0 HE3 LYS A 19 -16.282 2.856 2.721 1.00 30.42 H new ATOM 0 HZ1 LYS A 19 -17.245 1.965 4.487 1.00 72.22 H new ATOM 0 HZ2 LYS A 19 -17.990 0.742 3.576 1.00 72.22 H new ATOM 0 HZ3 LYS A 19 -16.411 0.523 4.160 1.00 72.22 H new ATOM 324 N LYS A 20 -13.632 4.264 -0.098 1.00 40.23 N ATOM 325 CA LYS A 20 -13.209 5.560 0.473 1.00 51.42 C ATOM 326 C LYS A 20 -12.543 6.463 -0.596 1.00 41.43 C ATOM 327 O LYS A 20 -12.938 7.620 -0.789 1.00 2.51 O ATOM 328 CB LYS A 20 -12.220 5.318 1.657 1.00 24.11 C ATOM 329 CG LYS A 20 -12.865 4.935 3.010 1.00 51.24 C ATOM 330 CD LYS A 20 -11.798 4.668 4.116 1.00 22.51 C ATOM 331 CE LYS A 20 -12.306 4.957 5.546 1.00 51.21 C ATOM 332 NZ LYS A 20 -13.515 4.171 5.914 1.00 53.24 N ATOM 0 H LYS A 20 -13.112 3.468 0.272 1.00 40.23 H new ATOM 0 HA LYS A 20 -14.098 6.074 0.837 1.00 51.42 H new ATOM 0 HB2 LYS A 20 -11.527 4.527 1.370 1.00 24.11 H new ATOM 0 HB3 LYS A 20 -11.629 6.222 1.802 1.00 24.11 H new ATOM 0 HG2 LYS A 20 -13.529 5.736 3.334 1.00 51.24 H new ATOM 0 HG3 LYS A 20 -13.480 4.045 2.878 1.00 51.24 H new ATOM 0 HD2 LYS A 20 -11.477 3.628 4.056 1.00 22.51 H new ATOM 0 HD3 LYS A 20 -10.921 5.284 3.919 1.00 22.51 H new ATOM 0 HE2 LYS A 20 -11.510 4.739 6.257 1.00 51.21 H new ATOM 0 HE3 LYS A 20 -12.531 6.020 5.636 1.00 51.21 H new ATOM 0 HZ1 LYS A 20 -13.500 3.968 6.934 1.00 53.24 H new ATOM 0 HZ2 LYS A 20 -14.369 4.718 5.683 1.00 53.24 H new ATOM 0 HZ3 LYS A 20 -13.523 3.277 5.383 1.00 53.24 H new ATOM 346 N PHE A 21 -11.529 5.906 -1.283 1.00 72.34 N ATOM 347 CA PHE A 21 -10.669 6.636 -2.237 1.00 60.53 C ATOM 348 C PHE A 21 -10.431 5.763 -3.495 1.00 44.41 C ATOM 349 O PHE A 21 -9.533 4.917 -3.496 1.00 74.41 O ATOM 350 CB PHE A 21 -9.286 6.995 -1.602 1.00 71.24 C ATOM 351 CG PHE A 21 -9.351 7.679 -0.238 1.00 42.11 C ATOM 352 CD1 PHE A 21 -9.643 9.040 -0.125 1.00 75.33 C ATOM 353 CD2 PHE A 21 -9.103 6.960 0.931 1.00 50.34 C ATOM 354 CE1 PHE A 21 -9.691 9.648 1.118 1.00 41.51 C ATOM 355 CE2 PHE A 21 -9.158 7.574 2.162 1.00 33.31 C ATOM 356 CZ PHE A 21 -9.441 8.908 2.259 1.00 10.11 C ATOM 0 H PHE A 21 -11.279 4.921 -1.191 1.00 72.34 H new ATOM 0 HA PHE A 21 -11.179 7.561 -2.505 1.00 60.53 H new ATOM 0 HB2 PHE A 21 -8.702 6.080 -1.504 1.00 71.24 H new ATOM 0 HB3 PHE A 21 -8.747 7.645 -2.291 1.00 71.24 H new ATOM 0 HD1 PHE A 21 -9.833 9.623 -1.014 1.00 75.33 H new ATOM 0 HD2 PHE A 21 -8.865 5.908 0.870 1.00 50.34 H new ATOM 0 HE1 PHE A 21 -9.924 10.700 1.196 1.00 41.51 H new ATOM 0 HE2 PHE A 21 -8.976 6.998 3.057 1.00 33.31 H new ATOM 0 HZ PHE A 21 -9.469 9.384 3.228 1.00 10.11 H new ATOM 366 N PRO A 22 -11.259 5.917 -4.570 1.00 62.31 N ATOM 367 CA PRO A 22 -10.981 5.283 -5.887 1.00 31.42 C ATOM 368 C PRO A 22 -9.916 6.062 -6.700 1.00 33.22 C ATOM 369 O PRO A 22 -9.500 5.622 -7.777 1.00 45.35 O ATOM 370 CB PRO A 22 -12.364 5.313 -6.573 1.00 52.02 C ATOM 371 CG PRO A 22 -13.040 6.536 -6.014 1.00 75.32 C ATOM 372 CD PRO A 22 -12.545 6.672 -4.581 1.00 42.11 C ATOM 0 HA PRO A 22 -10.563 4.280 -5.799 1.00 31.42 H new ATOM 0 HB2 PRO A 22 -12.267 5.374 -7.657 1.00 52.02 H new ATOM 0 HB3 PRO A 22 -12.934 4.410 -6.354 1.00 52.02 H new ATOM 0 HG2 PRO A 22 -12.790 7.421 -6.599 1.00 75.32 H new ATOM 0 HG3 PRO A 22 -14.124 6.430 -6.044 1.00 75.32 H new ATOM 0 HD2 PRO A 22 -12.397 7.717 -4.307 1.00 42.11 H new ATOM 0 HD3 PRO A 22 -13.259 6.255 -3.871 1.00 42.11 H new ATOM 380 N GLN A 23 -9.494 7.224 -6.157 1.00 64.33 N ATOM 381 CA GLN A 23 -8.478 8.107 -6.764 1.00 64.43 C ATOM 382 C GLN A 23 -7.047 7.542 -6.612 1.00 10.41 C ATOM 383 O GLN A 23 -6.129 7.978 -7.310 1.00 74.14 O ATOM 384 CB GLN A 23 -8.556 9.518 -6.115 1.00 75.32 C ATOM 385 CG GLN A 23 -8.283 9.536 -4.594 1.00 5.40 C ATOM 386 CD GLN A 23 -8.342 10.929 -3.966 1.00 62.22 C ATOM 387 OE1 GLN A 23 -9.074 11.810 -4.419 1.00 21.52 O ATOM 388 NE2 GLN A 23 -7.568 11.133 -2.915 1.00 33.51 N ATOM 0 H GLN A 23 -9.856 7.579 -5.272 1.00 64.33 H new ATOM 0 HA GLN A 23 -8.694 8.172 -7.831 1.00 64.43 H new ATOM 0 HB2 GLN A 23 -7.837 10.172 -6.609 1.00 75.32 H new ATOM 0 HB3 GLN A 23 -9.546 9.935 -6.299 1.00 75.32 H new ATOM 0 HG2 GLN A 23 -9.011 8.894 -4.097 1.00 5.40 H new ATOM 0 HG3 GLN A 23 -7.299 9.106 -4.407 1.00 5.40 H new ATOM 0 HE21 GLN A 23 -6.974 10.381 -2.566 1.00 33.51 H new ATOM 0 HE22 GLN A 23 -7.565 12.042 -2.453 1.00 33.51 H new ATOM 397 N VAL A 24 -6.862 6.604 -5.664 1.00 2.33 N ATOM 398 CA VAL A 24 -5.549 5.984 -5.383 1.00 15.30 C ATOM 399 C VAL A 24 -5.505 4.553 -5.954 1.00 30.35 C ATOM 400 O VAL A 24 -6.555 3.907 -6.096 1.00 13.44 O ATOM 401 CB VAL A 24 -5.241 5.978 -3.834 1.00 22.10 C ATOM 402 CG1 VAL A 24 -5.255 7.414 -3.254 1.00 13.30 C ATOM 403 CG2 VAL A 24 -6.210 5.061 -3.054 1.00 33.43 C ATOM 0 H VAL A 24 -7.615 6.254 -5.072 1.00 2.33 H new ATOM 0 HA VAL A 24 -4.778 6.580 -5.871 1.00 15.30 H new ATOM 0 HB VAL A 24 -4.238 5.570 -3.711 1.00 22.10 H new ATOM 0 HG11 VAL A 24 -5.040 7.377 -2.186 1.00 13.30 H new ATOM 0 HG12 VAL A 24 -4.498 8.017 -3.756 1.00 13.30 H new ATOM 0 HG13 VAL A 24 -6.237 7.860 -3.411 1.00 13.30 H new ATOM 0 HG21 VAL A 24 -5.961 5.088 -1.993 1.00 33.43 H new ATOM 0 HG22 VAL A 24 -7.233 5.409 -3.196 1.00 33.43 H new ATOM 0 HG23 VAL A 24 -6.120 4.039 -3.422 1.00 33.43 H new ATOM 413 N GLU A 25 -4.294 4.067 -6.297 1.00 42.24 N ATOM 414 CA GLU A 25 -4.103 2.695 -6.803 1.00 62.20 C ATOM 415 C GLU A 25 -4.103 1.703 -5.623 1.00 74.21 C ATOM 416 O GLU A 25 -3.126 1.610 -4.877 1.00 2.34 O ATOM 417 CB GLU A 25 -2.788 2.580 -7.625 1.00 53.34 C ATOM 418 CG GLU A 25 -2.718 3.487 -8.873 1.00 51.12 C ATOM 419 CD GLU A 25 -3.843 3.228 -9.900 1.00 73.44 C ATOM 420 OE1 GLU A 25 -3.712 2.291 -10.715 1.00 23.43 O ATOM 421 OE2 GLU A 25 -4.858 3.956 -9.903 1.00 52.52 O ATOM 0 H GLU A 25 -3.432 4.608 -6.232 1.00 42.24 H new ATOM 0 HA GLU A 25 -4.928 2.450 -7.471 1.00 62.20 H new ATOM 0 HB2 GLU A 25 -1.948 2.819 -6.973 1.00 53.34 H new ATOM 0 HB3 GLU A 25 -2.663 1.544 -7.940 1.00 53.34 H new ATOM 0 HG2 GLU A 25 -2.762 4.529 -8.556 1.00 51.12 H new ATOM 0 HG3 GLU A 25 -1.754 3.343 -9.361 1.00 51.12 H new ATOM 428 N VAL A 26 -5.223 0.993 -5.441 1.00 22.34 N ATOM 429 CA VAL A 26 -5.398 0.034 -4.338 1.00 13.33 C ATOM 430 C VAL A 26 -4.996 -1.367 -4.820 1.00 45.42 C ATOM 431 O VAL A 26 -5.548 -1.873 -5.808 1.00 65.30 O ATOM 432 CB VAL A 26 -6.878 0.026 -3.810 1.00 22.33 C ATOM 433 CG1 VAL A 26 -7.040 -0.891 -2.568 1.00 41.34 C ATOM 434 CG2 VAL A 26 -7.360 1.468 -3.514 1.00 33.14 C ATOM 0 H VAL A 26 -6.035 1.066 -6.054 1.00 22.34 H new ATOM 0 HA VAL A 26 -4.758 0.337 -3.509 1.00 13.33 H new ATOM 0 HB VAL A 26 -7.509 -0.388 -4.596 1.00 22.33 H new ATOM 0 HG11 VAL A 26 -8.077 -0.870 -2.233 1.00 41.34 H new ATOM 0 HG12 VAL A 26 -6.765 -1.912 -2.831 1.00 41.34 H new ATOM 0 HG13 VAL A 26 -6.392 -0.536 -1.767 1.00 41.34 H new ATOM 0 HG21 VAL A 26 -8.387 1.441 -3.150 1.00 33.14 H new ATOM 0 HG22 VAL A 26 -6.718 1.918 -2.757 1.00 33.14 H new ATOM 0 HG23 VAL A 26 -7.315 2.061 -4.427 1.00 33.14 H new ATOM 444 N ARG A 27 -4.007 -1.973 -4.142 1.00 33.34 N ATOM 445 CA ARG A 27 -3.454 -3.292 -4.512 1.00 23.21 C ATOM 446 C ARG A 27 -3.695 -4.311 -3.399 1.00 54.21 C ATOM 447 O ARG A 27 -3.701 -3.957 -2.228 1.00 33.10 O ATOM 448 CB ARG A 27 -1.937 -3.164 -4.820 1.00 44.12 C ATOM 449 CG ARG A 27 -1.614 -2.285 -6.051 1.00 41.45 C ATOM 450 CD ARG A 27 -2.356 -2.760 -7.312 1.00 62.55 C ATOM 451 NE ARG A 27 -2.150 -1.868 -8.458 1.00 64.21 N ATOM 452 CZ ARG A 27 -3.054 -1.016 -8.954 1.00 73.33 C ATOM 453 NH1 ARG A 27 -4.270 -0.900 -8.408 1.00 74.45 N ATOM 454 NH2 ARG A 27 -2.741 -0.307 -10.026 1.00 1.24 N ATOM 0 H ARG A 27 -3.565 -1.563 -3.319 1.00 33.34 H new ATOM 0 HA ARG A 27 -3.964 -3.646 -5.408 1.00 23.21 H new ATOM 0 HB2 ARG A 27 -1.434 -2.747 -3.947 1.00 44.12 H new ATOM 0 HB3 ARG A 27 -1.524 -4.160 -4.980 1.00 44.12 H new ATOM 0 HG2 ARG A 27 -1.886 -1.251 -5.839 1.00 41.45 H new ATOM 0 HG3 ARG A 27 -0.540 -2.301 -6.235 1.00 41.45 H new ATOM 0 HD2 ARG A 27 -2.018 -3.763 -7.572 1.00 62.55 H new ATOM 0 HD3 ARG A 27 -3.422 -2.829 -7.097 1.00 62.55 H new ATOM 0 HE ARG A 27 -1.239 -1.900 -8.916 1.00 64.21 H new ATOM 0 HH11 ARG A 27 -4.522 -1.467 -7.599 1.00 74.45 H new ATOM 0 HH12 ARG A 27 -4.945 -0.244 -8.801 1.00 74.45 H new ATOM 0 HH21 ARG A 27 -1.824 -0.415 -10.459 1.00 1.24 H new ATOM 0 HH22 ARG A 27 -3.417 0.348 -10.419 1.00 1.24 H new ATOM 468 N LEU A 28 -3.911 -5.575 -3.789 1.00 52.34 N ATOM 469 CA LEU A 28 -4.107 -6.693 -2.850 1.00 0.43 C ATOM 470 C LEU A 28 -2.827 -7.543 -2.762 1.00 61.04 C ATOM 471 O LEU A 28 -2.109 -7.712 -3.754 1.00 3.22 O ATOM 472 CB LEU A 28 -5.310 -7.559 -3.303 1.00 73.12 C ATOM 473 CG LEU A 28 -5.664 -8.791 -2.406 1.00 44.14 C ATOM 474 CD1 LEU A 28 -6.039 -8.356 -0.971 1.00 21.13 C ATOM 475 CD2 LEU A 28 -6.779 -9.636 -3.049 1.00 73.12 C ATOM 0 H LEU A 28 -3.955 -5.854 -4.769 1.00 52.34 H new ATOM 0 HA LEU A 28 -4.321 -6.293 -1.859 1.00 0.43 H new ATOM 0 HB2 LEU A 28 -6.189 -6.917 -3.362 1.00 73.12 H new ATOM 0 HB3 LEU A 28 -5.110 -7.919 -4.312 1.00 73.12 H new ATOM 0 HG LEU A 28 -4.774 -9.416 -2.331 1.00 44.14 H new ATOM 0 HD11 LEU A 28 -6.279 -9.236 -0.375 1.00 21.13 H new ATOM 0 HD12 LEU A 28 -5.198 -7.830 -0.519 1.00 21.13 H new ATOM 0 HD13 LEU A 28 -6.905 -7.694 -1.006 1.00 21.13 H new ATOM 0 HD21 LEU A 28 -7.007 -10.487 -2.407 1.00 73.12 H new ATOM 0 HD22 LEU A 28 -7.673 -9.025 -3.173 1.00 73.12 H new ATOM 0 HD23 LEU A 28 -6.447 -9.996 -4.023 1.00 73.12 H new ATOM 487 N VAL A 29 -2.542 -8.043 -1.548 1.00 4.30 N ATOM 488 CA VAL A 29 -1.434 -8.968 -1.275 1.00 44.50 C ATOM 489 C VAL A 29 -1.976 -10.189 -0.523 1.00 21.23 C ATOM 490 O VAL A 29 -2.355 -10.103 0.645 1.00 13.23 O ATOM 491 CB VAL A 29 -0.277 -8.254 -0.471 1.00 1.11 C ATOM 492 CG1 VAL A 29 0.727 -9.256 0.157 1.00 3.32 C ATOM 493 CG2 VAL A 29 0.464 -7.255 -1.385 1.00 44.33 C ATOM 0 H VAL A 29 -3.085 -7.811 -0.716 1.00 4.30 H new ATOM 0 HA VAL A 29 -0.999 -9.299 -2.218 1.00 44.50 H new ATOM 0 HB VAL A 29 -0.745 -7.719 0.355 1.00 1.11 H new ATOM 0 HG11 VAL A 29 1.499 -8.707 0.697 1.00 3.32 H new ATOM 0 HG12 VAL A 29 0.200 -9.915 0.847 1.00 3.32 H new ATOM 0 HG13 VAL A 29 1.188 -9.851 -0.631 1.00 3.32 H new ATOM 0 HG21 VAL A 29 1.260 -6.768 -0.822 1.00 44.33 H new ATOM 0 HG22 VAL A 29 0.894 -7.788 -2.233 1.00 44.33 H new ATOM 0 HG23 VAL A 29 -0.238 -6.503 -1.746 1.00 44.33 H new ATOM 503 N THR A 30 -2.064 -11.309 -1.239 1.00 22.53 N ATOM 504 CA THR A 30 -2.444 -12.607 -0.673 1.00 43.23 C ATOM 505 C THR A 30 -1.215 -13.283 -0.041 1.00 35.55 C ATOM 506 O THR A 30 -1.286 -13.876 1.043 1.00 62.15 O ATOM 507 CB THR A 30 -3.040 -13.530 -1.789 1.00 53.25 C ATOM 508 OG1 THR A 30 -2.099 -13.649 -2.876 1.00 1.11 O ATOM 509 CG2 THR A 30 -4.368 -12.983 -2.339 1.00 24.41 C ATOM 0 H THR A 30 -1.872 -11.343 -2.240 1.00 22.53 H new ATOM 0 HA THR A 30 -3.201 -12.447 0.095 1.00 43.23 H new ATOM 0 HB THR A 30 -3.231 -14.504 -1.339 1.00 53.25 H new ATOM 0 HG1 THR A 30 -2.474 -14.228 -3.572 1.00 1.11 H new ATOM 0 HG21 THR A 30 -4.746 -13.654 -3.110 1.00 24.41 H new ATOM 0 HG22 THR A 30 -5.096 -12.913 -1.530 1.00 24.41 H new ATOM 0 HG23 THR A 30 -4.205 -11.994 -2.767 1.00 24.41 H new ATOM 517 N THR A 31 -0.080 -13.151 -0.743 1.00 50.43 N ATOM 518 CA THR A 31 1.192 -13.810 -0.401 1.00 62.14 C ATOM 519 C THR A 31 2.359 -12.829 -0.604 1.00 14.34 C ATOM 520 O THR A 31 2.170 -11.749 -1.176 1.00 25.01 O ATOM 521 CB THR A 31 1.424 -15.068 -1.306 1.00 0.03 C ATOM 522 OG1 THR A 31 1.284 -14.690 -2.689 1.00 4.23 O ATOM 523 CG2 THR A 31 0.451 -16.220 -0.989 1.00 14.21 C ATOM 0 H THR A 31 -0.018 -12.572 -1.581 1.00 50.43 H new ATOM 0 HA THR A 31 1.144 -14.123 0.642 1.00 62.14 H new ATOM 0 HB THR A 31 2.431 -15.433 -1.103 1.00 0.03 H new ATOM 0 HG1 THR A 31 1.430 -15.474 -3.259 1.00 4.23 H new ATOM 0 HG21 THR A 31 0.659 -17.064 -1.647 1.00 14.21 H new ATOM 0 HG22 THR A 31 0.578 -16.529 0.049 1.00 14.21 H new ATOM 0 HG23 THR A 31 -0.574 -15.884 -1.144 1.00 14.21 H new ATOM 531 N GLU A 32 3.564 -13.236 -0.162 1.00 70.24 N ATOM 532 CA GLU A 32 4.808 -12.491 -0.403 1.00 53.10 C ATOM 533 C GLU A 32 5.092 -12.378 -1.917 1.00 62.20 C ATOM 534 O GLU A 32 5.559 -11.340 -2.376 1.00 42.11 O ATOM 535 CB GLU A 32 5.981 -13.178 0.336 1.00 14.21 C ATOM 536 CG GLU A 32 7.361 -12.559 0.063 1.00 50.44 C ATOM 537 CD GLU A 32 8.495 -13.258 0.820 1.00 34.02 C ATOM 538 OE1 GLU A 32 8.745 -12.901 1.992 1.00 34.23 O ATOM 539 OE2 GLU A 32 9.139 -14.169 0.245 1.00 74.33 O ATOM 0 H GLU A 32 3.699 -14.094 0.373 1.00 70.24 H new ATOM 0 HA GLU A 32 4.698 -11.479 -0.013 1.00 53.10 H new ATOM 0 HB2 GLU A 32 5.788 -13.143 1.408 1.00 14.21 H new ATOM 0 HB3 GLU A 32 6.006 -14.230 0.051 1.00 14.21 H new ATOM 0 HG2 GLU A 32 7.566 -12.602 -1.007 1.00 50.44 H new ATOM 0 HG3 GLU A 32 7.341 -11.506 0.342 1.00 50.44 H new ATOM 546 N GLU A 33 4.772 -13.458 -2.675 1.00 14.25 N ATOM 547 CA GLU A 33 4.861 -13.484 -4.157 1.00 55.03 C ATOM 548 C GLU A 33 4.051 -12.324 -4.779 1.00 21.14 C ATOM 549 O GLU A 33 4.538 -11.598 -5.653 1.00 3.44 O ATOM 550 CB GLU A 33 4.315 -14.836 -4.698 1.00 31.01 C ATOM 551 CG GLU A 33 5.078 -16.093 -4.221 1.00 74.13 C ATOM 552 CD GLU A 33 4.430 -17.403 -4.709 1.00 74.31 C ATOM 553 OE1 GLU A 33 4.720 -17.841 -5.842 1.00 21.11 O ATOM 554 OE2 GLU A 33 3.601 -17.986 -3.971 1.00 54.31 O ATOM 0 H GLU A 33 4.444 -14.337 -2.274 1.00 14.25 H new ATOM 0 HA GLU A 33 5.909 -13.371 -4.435 1.00 55.03 H new ATOM 0 HB2 GLU A 33 3.270 -14.931 -4.403 1.00 31.01 H new ATOM 0 HB3 GLU A 33 4.338 -14.809 -5.787 1.00 31.01 H new ATOM 0 HG2 GLU A 33 6.107 -16.046 -4.579 1.00 74.13 H new ATOM 0 HG3 GLU A 33 5.119 -16.097 -3.132 1.00 74.13 H new ATOM 561 N ASP A 34 2.816 -12.163 -4.270 1.00 33.53 N ATOM 562 CA ASP A 34 1.872 -11.129 -4.719 1.00 31.35 C ATOM 563 C ASP A 34 2.414 -9.727 -4.368 1.00 60.21 C ATOM 564 O ASP A 34 2.306 -8.795 -5.168 1.00 3.12 O ATOM 565 CB ASP A 34 0.479 -11.390 -4.067 1.00 64.52 C ATOM 566 CG ASP A 34 -0.713 -10.638 -4.699 1.00 15.33 C ATOM 567 OD1 ASP A 34 -0.535 -9.873 -5.670 1.00 55.04 O ATOM 568 OD2 ASP A 34 -1.855 -10.865 -4.248 1.00 22.01 O ATOM 0 H ASP A 34 2.444 -12.755 -3.527 1.00 33.53 H new ATOM 0 HA ASP A 34 1.758 -11.172 -5.802 1.00 31.35 H new ATOM 0 HB2 ASP A 34 0.273 -12.460 -4.111 1.00 64.52 H new ATOM 0 HB3 ASP A 34 0.536 -11.120 -3.013 1.00 64.52 H new ATOM 573 N ALA A 35 3.056 -9.625 -3.186 1.00 44.41 N ATOM 574 CA ALA A 35 3.689 -8.382 -2.713 1.00 62.10 C ATOM 575 C ALA A 35 4.839 -7.955 -3.640 1.00 63.15 C ATOM 576 O ALA A 35 4.965 -6.774 -3.966 1.00 33.42 O ATOM 577 CB ALA A 35 4.195 -8.546 -1.274 1.00 44.00 C ATOM 0 H ALA A 35 3.149 -10.404 -2.534 1.00 44.41 H new ATOM 0 HA ALA A 35 2.933 -7.597 -2.729 1.00 62.10 H new ATOM 0 HB1 ALA A 35 4.659 -7.617 -0.943 1.00 44.00 H new ATOM 0 HB2 ALA A 35 3.358 -8.786 -0.619 1.00 44.00 H new ATOM 0 HB3 ALA A 35 4.928 -9.352 -1.236 1.00 44.00 H new ATOM 583 N LYS A 36 5.649 -8.947 -4.074 1.00 21.42 N ATOM 584 CA LYS A 36 6.794 -8.738 -4.986 1.00 61.22 C ATOM 585 C LYS A 36 6.319 -8.237 -6.365 1.00 62.43 C ATOM 586 O LYS A 36 6.975 -7.394 -6.990 1.00 44.43 O ATOM 587 CB LYS A 36 7.603 -10.062 -5.114 1.00 4.54 C ATOM 588 CG LYS A 36 8.265 -10.522 -3.783 1.00 34.00 C ATOM 589 CD LYS A 36 8.874 -11.955 -3.824 1.00 30.44 C ATOM 590 CE LYS A 36 10.213 -12.061 -4.587 1.00 4.24 C ATOM 591 NZ LYS A 36 10.082 -11.818 -6.047 1.00 64.41 N ATOM 0 H LYS A 36 5.525 -9.921 -3.799 1.00 21.42 H new ATOM 0 HA LYS A 36 7.444 -7.968 -4.571 1.00 61.22 H new ATOM 0 HB2 LYS A 36 6.939 -10.850 -5.471 1.00 4.54 H new ATOM 0 HB3 LYS A 36 8.378 -9.932 -5.869 1.00 4.54 H new ATOM 0 HG2 LYS A 36 9.051 -9.814 -3.520 1.00 34.00 H new ATOM 0 HG3 LYS A 36 7.520 -10.480 -2.988 1.00 34.00 H new ATOM 0 HD2 LYS A 36 9.025 -12.301 -2.802 1.00 30.44 H new ATOM 0 HD3 LYS A 36 8.153 -12.629 -4.286 1.00 30.44 H new ATOM 0 HE2 LYS A 36 10.919 -11.343 -4.169 1.00 4.24 H new ATOM 0 HE3 LYS A 36 10.636 -13.053 -4.428 1.00 4.24 H new ATOM 0 HZ1 LYS A 36 10.738 -12.439 -6.563 1.00 64.41 H new ATOM 0 HZ2 LYS A 36 9.107 -12.020 -6.346 1.00 64.41 H new ATOM 0 HZ3 LYS A 36 10.310 -10.825 -6.255 1.00 64.41 H new ATOM 605 N GLN A 37 5.163 -8.758 -6.818 1.00 64.24 N ATOM 606 CA GLN A 37 4.509 -8.304 -8.061 1.00 13.11 C ATOM 607 C GLN A 37 4.051 -6.830 -7.942 1.00 75.34 C ATOM 608 O GLN A 37 4.175 -6.061 -8.905 1.00 22.43 O ATOM 609 CB GLN A 37 3.322 -9.238 -8.418 1.00 3.34 C ATOM 610 CG GLN A 37 3.741 -10.691 -8.715 1.00 30.10 C ATOM 611 CD GLN A 37 2.560 -11.616 -9.011 1.00 43.14 C ATOM 612 OE1 GLN A 37 2.133 -11.750 -10.160 1.00 4.41 O ATOM 613 NE2 GLN A 37 2.037 -12.269 -7.984 1.00 75.04 N ATOM 0 H GLN A 37 4.658 -9.502 -6.336 1.00 64.24 H new ATOM 0 HA GLN A 37 5.236 -8.354 -8.872 1.00 13.11 H new ATOM 0 HB2 GLN A 37 2.610 -9.237 -7.593 1.00 3.34 H new ATOM 0 HB3 GLN A 37 2.803 -8.834 -9.287 1.00 3.34 H new ATOM 0 HG2 GLN A 37 4.421 -10.698 -9.567 1.00 30.10 H new ATOM 0 HG3 GLN A 37 4.295 -11.083 -7.862 1.00 30.10 H new ATOM 0 HE21 GLN A 37 2.416 -12.133 -7.047 1.00 75.04 H new ATOM 0 HE22 GLN A 37 1.255 -12.908 -8.130 1.00 75.04 H new ATOM 622 N VAL A 38 3.536 -6.444 -6.753 1.00 35.21 N ATOM 623 CA VAL A 38 3.142 -5.049 -6.461 1.00 73.12 C ATOM 624 C VAL A 38 4.373 -4.102 -6.475 1.00 3.30 C ATOM 625 O VAL A 38 4.293 -3.006 -7.028 1.00 45.20 O ATOM 626 CB VAL A 38 2.375 -4.939 -5.085 1.00 52.22 C ATOM 627 CG1 VAL A 38 2.000 -3.479 -4.752 1.00 32.11 C ATOM 628 CG2 VAL A 38 1.111 -5.835 -5.077 1.00 5.21 C ATOM 0 H VAL A 38 3.383 -7.086 -5.975 1.00 35.21 H new ATOM 0 HA VAL A 38 2.460 -4.735 -7.251 1.00 73.12 H new ATOM 0 HB VAL A 38 3.056 -5.293 -4.311 1.00 52.22 H new ATOM 0 HG11 VAL A 38 1.474 -3.447 -3.798 1.00 32.11 H new ATOM 0 HG12 VAL A 38 2.906 -2.876 -4.687 1.00 32.11 H new ATOM 0 HG13 VAL A 38 1.355 -3.081 -5.535 1.00 32.11 H new ATOM 0 HG21 VAL A 38 0.603 -5.739 -4.117 1.00 5.21 H new ATOM 0 HG22 VAL A 38 0.439 -5.523 -5.876 1.00 5.21 H new ATOM 0 HG23 VAL A 38 1.401 -6.874 -5.232 1.00 5.21 H new ATOM 638 N ILE A 39 5.509 -4.571 -5.904 1.00 23.43 N ATOM 639 CA ILE A 39 6.779 -3.797 -5.818 1.00 21.01 C ATOM 640 C ILE A 39 7.252 -3.326 -7.215 1.00 0.50 C ATOM 641 O ILE A 39 7.705 -2.182 -7.367 1.00 42.43 O ATOM 642 CB ILE A 39 7.913 -4.649 -5.119 1.00 64.42 C ATOM 643 CG1 ILE A 39 7.551 -4.952 -3.633 1.00 74.41 C ATOM 644 CG2 ILE A 39 9.301 -3.971 -5.214 1.00 44.12 C ATOM 645 CD1 ILE A 39 8.523 -5.875 -2.909 1.00 4.02 C ATOM 0 H ILE A 39 5.574 -5.500 -5.488 1.00 23.43 H new ATOM 0 HA ILE A 39 6.580 -2.914 -5.211 1.00 21.01 H new ATOM 0 HB ILE A 39 7.976 -5.593 -5.661 1.00 64.42 H new ATOM 0 HG12 ILE A 39 7.495 -4.009 -3.089 1.00 74.41 H new ATOM 0 HG13 ILE A 39 6.557 -5.398 -3.601 1.00 74.41 H new ATOM 0 HG21 ILE A 39 10.045 -4.595 -4.719 1.00 44.12 H new ATOM 0 HG22 ILE A 39 9.573 -3.844 -6.262 1.00 44.12 H new ATOM 0 HG23 ILE A 39 9.264 -2.996 -4.728 1.00 44.12 H new ATOM 0 HD11 ILE A 39 8.186 -6.026 -1.883 1.00 4.02 H new ATOM 0 HD12 ILE A 39 8.563 -6.836 -3.422 1.00 4.02 H new ATOM 0 HD13 ILE A 39 9.516 -5.425 -2.903 1.00 4.02 H new ATOM 657 N LYS A 40 7.110 -4.220 -8.221 1.00 24.23 N ATOM 658 CA LYS A 40 7.430 -3.916 -9.632 1.00 24.15 C ATOM 659 C LYS A 40 6.616 -2.698 -10.120 1.00 70.54 C ATOM 660 O LYS A 40 7.167 -1.735 -10.667 1.00 31.25 O ATOM 661 CB LYS A 40 7.095 -5.125 -10.548 1.00 41.22 C ATOM 662 CG LYS A 40 7.842 -6.434 -10.232 1.00 24.41 C ATOM 663 CD LYS A 40 7.448 -7.562 -11.220 1.00 35.54 C ATOM 664 CE LYS A 40 8.186 -8.878 -10.956 1.00 25.23 C ATOM 665 NZ LYS A 40 7.836 -9.924 -11.959 1.00 34.12 N ATOM 0 H LYS A 40 6.771 -5.171 -8.076 1.00 24.23 H new ATOM 0 HA LYS A 40 8.497 -3.699 -9.686 1.00 24.15 H new ATOM 0 HB2 LYS A 40 6.024 -5.317 -10.487 1.00 41.22 H new ATOM 0 HB3 LYS A 40 7.311 -4.846 -11.579 1.00 41.22 H new ATOM 0 HG2 LYS A 40 8.917 -6.263 -10.283 1.00 24.41 H new ATOM 0 HG3 LYS A 40 7.617 -6.746 -9.212 1.00 24.41 H new ATOM 0 HD2 LYS A 40 6.374 -7.735 -11.154 1.00 35.54 H new ATOM 0 HD3 LYS A 40 7.656 -7.234 -12.238 1.00 35.54 H new ATOM 0 HE2 LYS A 40 9.261 -8.701 -10.976 1.00 25.23 H new ATOM 0 HE3 LYS A 40 7.941 -9.237 -9.957 1.00 25.23 H new ATOM 0 HZ1 LYS A 40 8.356 -10.799 -11.745 1.00 34.12 H new ATOM 0 HZ2 LYS A 40 6.814 -10.112 -11.923 1.00 34.12 H new ATOM 0 HZ3 LYS A 40 8.093 -9.592 -12.911 1.00 34.12 H new ATOM 679 N GLU A 41 5.295 -2.773 -9.864 1.00 41.34 N ATOM 680 CA GLU A 41 4.311 -1.807 -10.362 1.00 20.24 C ATOM 681 C GLU A 41 4.478 -0.428 -9.694 1.00 62.44 C ATOM 682 O GLU A 41 4.322 0.599 -10.353 1.00 41.13 O ATOM 683 CB GLU A 41 2.883 -2.370 -10.151 1.00 53.12 C ATOM 684 CG GLU A 41 1.763 -1.482 -10.736 1.00 1.23 C ATOM 685 CD GLU A 41 0.355 -2.084 -10.719 1.00 33.04 C ATOM 686 OE1 GLU A 41 0.108 -3.036 -9.956 1.00 74.40 O ATOM 687 OE2 GLU A 41 -0.522 -1.575 -11.456 1.00 44.24 O ATOM 0 H GLU A 41 4.883 -3.516 -9.299 1.00 41.34 H new ATOM 0 HA GLU A 41 4.478 -1.657 -11.429 1.00 20.24 H new ATOM 0 HB2 GLU A 41 2.823 -3.359 -10.606 1.00 53.12 H new ATOM 0 HB3 GLU A 41 2.709 -2.499 -9.083 1.00 53.12 H new ATOM 0 HG2 GLU A 41 1.743 -0.544 -10.182 1.00 1.23 H new ATOM 0 HG3 GLU A 41 2.020 -1.238 -11.767 1.00 1.23 H new ATOM 694 N ILE A 42 4.821 -0.434 -8.390 1.00 62.32 N ATOM 695 CA ILE A 42 5.120 0.788 -7.615 1.00 5.53 C ATOM 696 C ILE A 42 6.238 1.614 -8.300 1.00 54.42 C ATOM 697 O ILE A 42 6.118 2.837 -8.462 1.00 31.54 O ATOM 698 CB ILE A 42 5.529 0.421 -6.133 1.00 44.13 C ATOM 699 CG1 ILE A 42 4.326 -0.220 -5.359 1.00 64.22 C ATOM 700 CG2 ILE A 42 6.069 1.653 -5.376 1.00 1.14 C ATOM 701 CD1 ILE A 42 4.670 -0.769 -3.977 1.00 33.34 C ATOM 0 H ILE A 42 4.899 -1.291 -7.842 1.00 62.32 H new ATOM 0 HA ILE A 42 4.218 1.398 -7.581 1.00 5.53 H new ATOM 0 HB ILE A 42 6.331 -0.316 -6.188 1.00 44.13 H new ATOM 0 HG12 ILE A 42 3.542 0.529 -5.251 1.00 64.22 H new ATOM 0 HG13 ILE A 42 3.914 -1.028 -5.963 1.00 64.22 H new ATOM 0 HG21 ILE A 42 6.341 1.366 -4.360 1.00 1.14 H new ATOM 0 HG22 ILE A 42 6.948 2.040 -5.891 1.00 1.14 H new ATOM 0 HG23 ILE A 42 5.300 2.425 -5.341 1.00 1.14 H new ATOM 0 HD11 ILE A 42 3.775 -1.191 -3.520 1.00 33.34 H new ATOM 0 HD12 ILE A 42 5.430 -1.545 -4.072 1.00 33.34 H new ATOM 0 HD13 ILE A 42 5.051 0.037 -3.350 1.00 33.34 H new ATOM 713 N GLN A 43 7.299 0.916 -8.731 1.00 40.44 N ATOM 714 CA GLN A 43 8.448 1.539 -9.409 1.00 63.02 C ATOM 715 C GLN A 43 8.048 2.050 -10.805 1.00 31.11 C ATOM 716 O GLN A 43 8.423 3.156 -11.198 1.00 30.32 O ATOM 717 CB GLN A 43 9.612 0.527 -9.527 1.00 43.23 C ATOM 718 CG GLN A 43 10.064 -0.064 -8.183 1.00 4.13 C ATOM 719 CD GLN A 43 11.135 -1.148 -8.310 1.00 42.21 C ATOM 720 OE1 GLN A 43 11.971 -1.123 -9.212 1.00 33.10 O ATOM 721 NE2 GLN A 43 11.104 -2.124 -7.418 1.00 31.21 N ATOM 0 H GLN A 43 7.386 -0.094 -8.620 1.00 40.44 H new ATOM 0 HA GLN A 43 8.776 2.390 -8.812 1.00 63.02 H new ATOM 0 HB2 GLN A 43 9.308 -0.286 -10.186 1.00 43.23 H new ATOM 0 HB3 GLN A 43 10.462 1.019 -10.000 1.00 43.23 H new ATOM 0 HG2 GLN A 43 10.448 0.740 -7.555 1.00 4.13 H new ATOM 0 HG3 GLN A 43 9.197 -0.482 -7.671 1.00 4.13 H new ATOM 0 HE21 GLN A 43 10.399 -2.119 -6.681 1.00 31.21 H new ATOM 0 HE22 GLN A 43 11.785 -2.882 -7.467 1.00 31.21 H new ATOM 730 N LYS A 44 7.263 1.232 -11.534 1.00 63.23 N ATOM 731 CA LYS A 44 6.880 1.517 -12.933 1.00 1.22 C ATOM 732 C LYS A 44 5.941 2.739 -13.032 1.00 4.14 C ATOM 733 O LYS A 44 6.046 3.545 -13.964 1.00 51.33 O ATOM 734 CB LYS A 44 6.238 0.254 -13.577 1.00 21.54 C ATOM 735 CG LYS A 44 6.101 0.302 -15.121 1.00 62.42 C ATOM 736 CD LYS A 44 7.466 0.504 -15.831 1.00 32.12 C ATOM 737 CE LYS A 44 7.355 0.499 -17.367 1.00 42.50 C ATOM 738 NZ LYS A 44 6.504 1.605 -17.884 1.00 35.13 N ATOM 0 H LYS A 44 6.878 0.359 -11.173 1.00 63.23 H new ATOM 0 HA LYS A 44 7.783 1.770 -13.489 1.00 1.22 H new ATOM 0 HB2 LYS A 44 6.836 -0.616 -13.307 1.00 21.54 H new ATOM 0 HB3 LYS A 44 5.248 0.107 -13.144 1.00 21.54 H new ATOM 0 HG2 LYS A 44 5.646 -0.624 -15.471 1.00 62.42 H new ATOM 0 HG3 LYS A 44 5.427 1.113 -15.398 1.00 62.42 H new ATOM 0 HD2 LYS A 44 7.901 1.450 -15.507 1.00 32.12 H new ATOM 0 HD3 LYS A 44 8.151 -0.285 -15.520 1.00 32.12 H new ATOM 0 HE2 LYS A 44 8.352 0.580 -17.800 1.00 42.50 H new ATOM 0 HE3 LYS A 44 6.942 -0.455 -17.694 1.00 42.50 H new ATOM 0 HZ1 LYS A 44 6.490 1.576 -18.923 1.00 35.13 H new ATOM 0 HZ2 LYS A 44 5.535 1.496 -17.522 1.00 35.13 H new ATOM 0 HZ3 LYS A 44 6.891 2.517 -17.568 1.00 35.13 H new ATOM 752 N LYS A 45 5.043 2.873 -12.047 1.00 21.52 N ATOM 753 CA LYS A 45 4.116 4.014 -11.940 1.00 54.51 C ATOM 754 C LYS A 45 4.858 5.289 -11.485 1.00 61.42 C ATOM 755 O LYS A 45 4.370 6.401 -11.712 1.00 34.43 O ATOM 756 CB LYS A 45 2.965 3.665 -10.946 1.00 20.43 C ATOM 757 CG LYS A 45 1.713 2.935 -11.510 1.00 52.21 C ATOM 758 CD LYS A 45 1.974 1.616 -12.298 1.00 42.24 C ATOM 759 CE LYS A 45 2.172 1.823 -13.811 1.00 24.50 C ATOM 760 NZ LYS A 45 0.969 2.426 -14.446 1.00 35.50 N ATOM 0 H LYS A 45 4.936 2.191 -11.296 1.00 21.52 H new ATOM 0 HA LYS A 45 3.690 4.211 -12.924 1.00 54.51 H new ATOM 0 HB2 LYS A 45 3.384 3.046 -10.153 1.00 20.43 H new ATOM 0 HB3 LYS A 45 2.630 4.593 -10.483 1.00 20.43 H new ATOM 0 HG2 LYS A 45 1.046 2.709 -10.678 1.00 52.21 H new ATOM 0 HG3 LYS A 45 1.182 3.625 -12.166 1.00 52.21 H new ATOM 0 HD2 LYS A 45 2.859 1.129 -11.889 1.00 42.24 H new ATOM 0 HD3 LYS A 45 1.135 0.938 -12.140 1.00 42.24 H new ATOM 0 HE2 LYS A 45 3.035 2.468 -13.980 1.00 24.50 H new ATOM 0 HE3 LYS A 45 2.392 0.866 -14.284 1.00 24.50 H new ATOM 0 HZ1 LYS A 45 0.963 2.201 -15.461 1.00 35.50 H new ATOM 0 HZ2 LYS A 45 0.112 2.041 -14.001 1.00 35.50 H new ATOM 0 HZ3 LYS A 45 0.990 3.458 -14.320 1.00 35.50 H new ATOM 774 N GLY A 46 6.027 5.107 -10.837 1.00 73.13 N ATOM 775 CA GLY A 46 6.824 6.224 -10.319 1.00 71.24 C ATOM 776 C GLY A 46 6.241 6.783 -9.033 1.00 15.33 C ATOM 777 O GLY A 46 6.152 8.003 -8.847 1.00 12.31 O ATOM 0 H GLY A 46 6.437 4.189 -10.662 1.00 73.13 H new ATOM 0 HA2 GLY A 46 7.846 5.889 -10.140 1.00 71.24 H new ATOM 0 HA3 GLY A 46 6.874 7.013 -11.069 1.00 71.24 H new ATOM 781 N VAL A 47 5.845 5.868 -8.138 1.00 34.03 N ATOM 782 CA VAL A 47 5.192 6.206 -6.868 1.00 45.55 C ATOM 783 C VAL A 47 6.256 6.579 -5.830 1.00 0.41 C ATOM 784 O VAL A 47 7.348 6.009 -5.818 1.00 70.55 O ATOM 785 CB VAL A 47 4.321 5.007 -6.348 1.00 2.32 C ATOM 786 CG1 VAL A 47 3.502 5.381 -5.090 1.00 13.41 C ATOM 787 CG2 VAL A 47 3.405 4.484 -7.468 1.00 20.22 C ATOM 0 H VAL A 47 5.970 4.865 -8.277 1.00 34.03 H new ATOM 0 HA VAL A 47 4.529 7.056 -7.030 1.00 45.55 H new ATOM 0 HB VAL A 47 5.004 4.210 -6.053 1.00 2.32 H new ATOM 0 HG11 VAL A 47 2.916 4.520 -4.768 1.00 13.41 H new ATOM 0 HG12 VAL A 47 4.180 5.678 -4.290 1.00 13.41 H new ATOM 0 HG13 VAL A 47 2.832 6.208 -5.325 1.00 13.41 H new ATOM 0 HG21 VAL A 47 2.808 3.653 -7.092 1.00 20.22 H new ATOM 0 HG22 VAL A 47 2.744 5.284 -7.801 1.00 20.22 H new ATOM 0 HG23 VAL A 47 4.013 4.143 -8.306 1.00 20.22 H new ATOM 797 N GLN A 48 5.924 7.551 -4.981 1.00 71.21 N ATOM 798 CA GLN A 48 6.827 8.061 -3.940 1.00 53.30 C ATOM 799 C GLN A 48 6.429 7.484 -2.582 1.00 61.42 C ATOM 800 O GLN A 48 7.256 6.968 -1.831 1.00 51.24 O ATOM 801 CB GLN A 48 6.741 9.608 -3.895 1.00 4.23 C ATOM 802 CG GLN A 48 7.043 10.296 -5.233 1.00 23.01 C ATOM 803 CD GLN A 48 6.838 11.806 -5.174 1.00 43.23 C ATOM 804 OE1 GLN A 48 7.756 12.568 -4.881 1.00 72.02 O ATOM 805 NE2 GLN A 48 5.619 12.249 -5.435 1.00 53.24 N ATOM 0 H GLN A 48 5.015 8.013 -4.993 1.00 71.21 H new ATOM 0 HA GLN A 48 7.849 7.761 -4.170 1.00 53.30 H new ATOM 0 HB2 GLN A 48 5.741 9.895 -3.569 1.00 4.23 H new ATOM 0 HB3 GLN A 48 7.439 9.977 -3.144 1.00 4.23 H new ATOM 0 HG2 GLN A 48 8.072 10.084 -5.523 1.00 23.01 H new ATOM 0 HG3 GLN A 48 6.401 9.876 -6.007 1.00 23.01 H new ATOM 0 HE21 GLN A 48 4.878 11.591 -5.675 1.00 53.24 H new ATOM 0 HE22 GLN A 48 5.420 13.249 -5.396 1.00 53.24 H new ATOM 814 N LYS A 49 5.126 7.602 -2.288 1.00 51.12 N ATOM 815 CA LYS A 49 4.545 7.267 -0.983 1.00 15.23 C ATOM 816 C LYS A 49 3.560 6.103 -1.158 1.00 13.12 C ATOM 817 O LYS A 49 2.628 6.194 -1.961 1.00 51.24 O ATOM 818 CB LYS A 49 3.842 8.539 -0.427 1.00 25.42 C ATOM 819 CG LYS A 49 4.777 9.786 -0.388 1.00 54.03 C ATOM 820 CD LYS A 49 4.038 11.115 -0.146 1.00 12.44 C ATOM 821 CE LYS A 49 3.455 11.236 1.267 1.00 5.20 C ATOM 822 NZ LYS A 49 4.510 11.420 2.297 1.00 4.55 N ATOM 0 H LYS A 49 4.437 7.938 -2.961 1.00 51.12 H new ATOM 0 HA LYS A 49 5.310 6.952 -0.274 1.00 15.23 H new ATOM 0 HB2 LYS A 49 2.971 8.764 -1.043 1.00 25.42 H new ATOM 0 HB3 LYS A 49 3.477 8.335 0.579 1.00 25.42 H new ATOM 0 HG2 LYS A 49 5.519 9.646 0.398 1.00 54.03 H new ATOM 0 HG3 LYS A 49 5.320 9.850 -1.331 1.00 54.03 H new ATOM 0 HD2 LYS A 49 4.726 11.942 -0.320 1.00 12.44 H new ATOM 0 HD3 LYS A 49 3.232 11.212 -0.874 1.00 12.44 H new ATOM 0 HE2 LYS A 49 2.765 12.079 1.302 1.00 5.20 H new ATOM 0 HE3 LYS A 49 2.877 10.341 1.497 1.00 5.20 H new ATOM 0 HZ1 LYS A 49 4.218 12.163 2.964 1.00 4.55 H new ATOM 0 HZ2 LYS A 49 4.651 10.528 2.812 1.00 4.55 H new ATOM 0 HZ3 LYS A 49 5.400 11.698 1.837 1.00 4.55 H new ATOM 836 N VAL A 50 3.814 4.993 -0.448 1.00 21.22 N ATOM 837 CA VAL A 50 2.972 3.786 -0.481 1.00 42.11 C ATOM 838 C VAL A 50 2.464 3.492 0.935 1.00 54.21 C ATOM 839 O VAL A 50 3.241 3.525 1.896 1.00 2.32 O ATOM 840 CB VAL A 50 3.784 2.545 -1.025 1.00 63.34 C ATOM 841 CG1 VAL A 50 2.956 1.236 -0.994 1.00 10.21 C ATOM 842 CG2 VAL A 50 4.305 2.823 -2.450 1.00 62.42 C ATOM 0 H VAL A 50 4.619 4.907 0.172 1.00 21.22 H new ATOM 0 HA VAL A 50 2.131 3.961 -1.152 1.00 42.11 H new ATOM 0 HB VAL A 50 4.633 2.401 -0.357 1.00 63.34 H new ATOM 0 HG11 VAL A 50 3.560 0.414 -1.378 1.00 10.21 H new ATOM 0 HG12 VAL A 50 2.657 1.018 0.032 1.00 10.21 H new ATOM 0 HG13 VAL A 50 2.067 1.353 -1.614 1.00 10.21 H new ATOM 0 HG21 VAL A 50 4.862 1.958 -2.809 1.00 62.42 H new ATOM 0 HG22 VAL A 50 3.462 3.013 -3.115 1.00 62.42 H new ATOM 0 HG23 VAL A 50 4.959 3.695 -2.435 1.00 62.42 H new ATOM 852 N VAL A 51 1.157 3.225 1.061 1.00 53.42 N ATOM 853 CA VAL A 51 0.560 2.766 2.316 1.00 4.52 C ATOM 854 C VAL A 51 0.534 1.229 2.313 1.00 61.22 C ATOM 855 O VAL A 51 0.081 0.624 1.344 1.00 14.40 O ATOM 856 CB VAL A 51 -0.902 3.305 2.506 1.00 62.32 C ATOM 857 CG1 VAL A 51 -1.512 2.816 3.831 1.00 11.43 C ATOM 858 CG2 VAL A 51 -0.957 4.838 2.430 1.00 1.32 C ATOM 0 H VAL A 51 0.488 3.322 0.297 1.00 53.42 H new ATOM 0 HA VAL A 51 1.163 3.148 3.140 1.00 4.52 H new ATOM 0 HB VAL A 51 -1.496 2.904 1.684 1.00 62.32 H new ATOM 0 HG11 VAL A 51 -2.524 3.207 3.932 1.00 11.43 H new ATOM 0 HG12 VAL A 51 -1.541 1.726 3.838 1.00 11.43 H new ATOM 0 HG13 VAL A 51 -0.903 3.168 4.664 1.00 11.43 H new ATOM 0 HG21 VAL A 51 -1.985 5.172 2.566 1.00 1.32 H new ATOM 0 HG22 VAL A 51 -0.330 5.264 3.214 1.00 1.32 H new ATOM 0 HG23 VAL A 51 -0.594 5.167 1.456 1.00 1.32 H new ATOM 868 N LEU A 52 1.044 0.614 3.382 1.00 63.24 N ATOM 869 CA LEU A 52 0.968 -0.838 3.580 1.00 44.14 C ATOM 870 C LEU A 52 0.022 -1.128 4.766 1.00 63.01 C ATOM 871 O LEU A 52 0.423 -1.048 5.934 1.00 54.34 O ATOM 872 CB LEU A 52 2.392 -1.417 3.814 1.00 52.31 C ATOM 873 CG LEU A 52 3.368 -1.414 2.588 1.00 4.03 C ATOM 874 CD1 LEU A 52 4.723 -2.034 2.952 1.00 74.12 C ATOM 875 CD2 LEU A 52 2.768 -2.146 1.383 1.00 32.44 C ATOM 0 H LEU A 52 1.522 1.107 4.136 1.00 63.24 H new ATOM 0 HA LEU A 52 0.565 -1.325 2.692 1.00 44.14 H new ATOM 0 HB2 LEU A 52 2.859 -0.853 4.621 1.00 52.31 H new ATOM 0 HB3 LEU A 52 2.288 -2.445 4.162 1.00 52.31 H new ATOM 0 HG LEU A 52 3.523 -0.371 2.313 1.00 4.03 H new ATOM 0 HD11 LEU A 52 5.377 -2.017 2.080 1.00 74.12 H new ATOM 0 HD12 LEU A 52 5.180 -1.462 3.760 1.00 74.12 H new ATOM 0 HD13 LEU A 52 4.576 -3.065 3.275 1.00 74.12 H new ATOM 0 HD21 LEU A 52 3.475 -2.122 0.554 1.00 32.44 H new ATOM 0 HD22 LEU A 52 2.560 -3.181 1.653 1.00 32.44 H new ATOM 0 HD23 LEU A 52 1.841 -1.656 1.084 1.00 32.44 H new ATOM 887 N VAL A 53 -1.254 -1.410 4.444 1.00 14.02 N ATOM 888 CA VAL A 53 -2.312 -1.660 5.436 1.00 33.42 C ATOM 889 C VAL A 53 -2.313 -3.135 5.878 1.00 15.04 C ATOM 890 O VAL A 53 -2.510 -4.042 5.054 1.00 33.43 O ATOM 891 CB VAL A 53 -3.748 -1.276 4.896 1.00 41.21 C ATOM 892 CG1 VAL A 53 -4.839 -1.457 5.982 1.00 61.12 C ATOM 893 CG2 VAL A 53 -3.781 0.159 4.338 1.00 41.24 C ATOM 0 H VAL A 53 -1.581 -1.471 3.480 1.00 14.02 H new ATOM 0 HA VAL A 53 -2.089 -1.021 6.290 1.00 33.42 H new ATOM 0 HB VAL A 53 -3.968 -1.964 4.079 1.00 41.21 H new ATOM 0 HG11 VAL A 53 -5.811 -1.183 5.571 1.00 61.12 H new ATOM 0 HG12 VAL A 53 -4.862 -2.498 6.305 1.00 61.12 H new ATOM 0 HG13 VAL A 53 -4.613 -0.818 6.835 1.00 61.12 H new ATOM 0 HG21 VAL A 53 -4.784 0.386 3.977 1.00 41.24 H new ATOM 0 HG22 VAL A 53 -3.512 0.862 5.126 1.00 41.24 H new ATOM 0 HG23 VAL A 53 -3.071 0.246 3.516 1.00 41.24 H new ATOM 903 N GLY A 54 -2.076 -3.348 7.188 1.00 31.02 N ATOM 904 CA GLY A 54 -2.200 -4.657 7.823 1.00 1.31 C ATOM 905 C GLY A 54 -1.119 -5.642 7.411 1.00 35.44 C ATOM 906 O GLY A 54 -1.367 -6.844 7.330 1.00 74.34 O ATOM 0 H GLY A 54 -1.793 -2.608 7.830 1.00 31.02 H new ATOM 0 HA2 GLY A 54 -2.170 -4.530 8.905 1.00 1.31 H new ATOM 0 HA3 GLY A 54 -3.175 -5.078 7.579 1.00 1.31 H new ATOM 910 N VAL A 55 0.094 -5.136 7.158 1.00 34.42 N ATOM 911 CA VAL A 55 1.229 -5.971 6.725 1.00 4.21 C ATOM 912 C VAL A 55 2.112 -6.346 7.922 1.00 15.43 C ATOM 913 O VAL A 55 1.996 -5.764 9.011 1.00 12.32 O ATOM 914 CB VAL A 55 2.100 -5.245 5.637 1.00 30.34 C ATOM 915 CG1 VAL A 55 1.257 -4.894 4.386 1.00 13.43 C ATOM 916 CG2 VAL A 55 2.813 -4.000 6.223 1.00 52.32 C ATOM 0 H VAL A 55 0.319 -4.145 7.246 1.00 34.42 H new ATOM 0 HA VAL A 55 0.813 -6.877 6.284 1.00 4.21 H new ATOM 0 HB VAL A 55 2.878 -5.937 5.317 1.00 30.34 H new ATOM 0 HG11 VAL A 55 1.887 -4.393 3.651 1.00 13.43 H new ATOM 0 HG12 VAL A 55 0.851 -5.808 3.953 1.00 13.43 H new ATOM 0 HG13 VAL A 55 0.438 -4.234 4.672 1.00 13.43 H new ATOM 0 HG21 VAL A 55 3.407 -3.521 5.445 1.00 52.32 H new ATOM 0 HG22 VAL A 55 2.069 -3.297 6.596 1.00 52.32 H new ATOM 0 HG23 VAL A 55 3.465 -4.306 7.041 1.00 52.32 H new ATOM 926 N SER A 56 2.995 -7.325 7.697 1.00 52.23 N ATOM 927 CA SER A 56 4.028 -7.716 8.665 1.00 12.25 C ATOM 928 C SER A 56 5.228 -6.759 8.565 1.00 13.14 C ATOM 929 O SER A 56 5.324 -5.969 7.610 1.00 32.34 O ATOM 930 CB SER A 56 4.467 -9.172 8.394 1.00 5.25 C ATOM 931 OG SER A 56 4.939 -9.335 7.063 1.00 15.40 O ATOM 0 H SER A 56 3.014 -7.871 6.836 1.00 52.23 H new ATOM 0 HA SER A 56 3.623 -7.655 9.675 1.00 12.25 H new ATOM 0 HB2 SER A 56 5.252 -9.453 9.096 1.00 5.25 H new ATOM 0 HB3 SER A 56 3.627 -9.845 8.568 1.00 5.25 H new ATOM 0 HG SER A 56 5.211 -10.266 6.924 1.00 15.40 H new ATOM 937 N GLU A 57 6.147 -6.849 9.550 1.00 14.51 N ATOM 938 CA GLU A 57 7.407 -6.081 9.547 1.00 41.04 C ATOM 939 C GLU A 57 8.267 -6.484 8.329 1.00 43.00 C ATOM 940 O GLU A 57 8.985 -5.652 7.761 1.00 14.33 O ATOM 941 CB GLU A 57 8.180 -6.307 10.877 1.00 14.21 C ATOM 942 CG GLU A 57 9.497 -5.514 10.995 1.00 22.32 C ATOM 943 CD GLU A 57 10.277 -5.820 12.282 1.00 74.42 C ATOM 944 OE1 GLU A 57 11.064 -6.787 12.295 1.00 55.13 O ATOM 945 OE2 GLU A 57 10.107 -5.098 13.288 1.00 33.53 O ATOM 0 H GLU A 57 6.036 -7.453 10.364 1.00 14.51 H new ATOM 0 HA GLU A 57 7.178 -5.018 9.468 1.00 41.04 H new ATOM 0 HB2 GLU A 57 7.531 -6.035 11.710 1.00 14.21 H new ATOM 0 HB3 GLU A 57 8.400 -7.370 10.978 1.00 14.21 H new ATOM 0 HG2 GLU A 57 10.127 -5.739 10.134 1.00 22.32 H new ATOM 0 HG3 GLU A 57 9.275 -4.447 10.958 1.00 22.32 H new ATOM 952 N LYS A 58 8.137 -7.772 7.937 1.00 63.10 N ATOM 953 CA LYS A 58 8.786 -8.337 6.747 1.00 62.03 C ATOM 954 C LYS A 58 8.359 -7.583 5.471 1.00 32.20 C ATOM 955 O LYS A 58 9.206 -7.001 4.785 1.00 42.50 O ATOM 956 CB LYS A 58 8.447 -9.857 6.622 1.00 64.50 C ATOM 957 CG LYS A 58 9.079 -10.617 5.415 1.00 74.12 C ATOM 958 CD LYS A 58 10.610 -10.901 5.544 1.00 31.34 C ATOM 959 CE LYS A 58 11.512 -9.699 5.224 1.00 35.23 C ATOM 960 NZ LYS A 58 12.948 -10.027 5.410 1.00 2.25 N ATOM 0 H LYS A 58 7.571 -8.450 8.448 1.00 63.10 H new ATOM 0 HA LYS A 58 9.864 -8.223 6.859 1.00 62.03 H new ATOM 0 HB2 LYS A 58 8.763 -10.353 7.540 1.00 64.50 H new ATOM 0 HB3 LYS A 58 7.364 -9.960 6.560 1.00 64.50 H new ATOM 0 HG2 LYS A 58 8.558 -11.566 5.289 1.00 74.12 H new ATOM 0 HG3 LYS A 58 8.907 -10.036 4.509 1.00 74.12 H new ATOM 0 HD2 LYS A 58 10.820 -11.236 6.560 1.00 31.34 H new ATOM 0 HD3 LYS A 58 10.871 -11.723 4.877 1.00 31.34 H new ATOM 0 HE2 LYS A 58 11.342 -9.379 4.196 1.00 35.23 H new ATOM 0 HE3 LYS A 58 11.244 -8.861 5.867 1.00 35.23 H new ATOM 0 HZ1 LYS A 58 13.527 -9.193 5.185 1.00 2.25 H new ATOM 0 HZ2 LYS A 58 13.115 -10.308 6.397 1.00 2.25 H new ATOM 0 HZ3 LYS A 58 13.210 -10.810 4.778 1.00 2.25 H new ATOM 974 N LEU A 59 7.033 -7.566 5.203 1.00 73.35 N ATOM 975 CA LEU A 59 6.454 -6.949 3.993 1.00 5.03 C ATOM 976 C LEU A 59 6.731 -5.429 3.962 1.00 12.15 C ATOM 977 O LEU A 59 6.994 -4.861 2.897 1.00 55.30 O ATOM 978 CB LEU A 59 4.925 -7.233 3.931 1.00 41.51 C ATOM 979 CG LEU A 59 4.496 -8.739 3.846 1.00 1.41 C ATOM 980 CD1 LEU A 59 2.957 -8.889 3.909 1.00 12.22 C ATOM 981 CD2 LEU A 59 5.077 -9.420 2.587 1.00 53.30 C ATOM 0 H LEU A 59 6.336 -7.981 5.822 1.00 73.35 H new ATOM 0 HA LEU A 59 6.928 -7.391 3.117 1.00 5.03 H new ATOM 0 HB2 LEU A 59 4.461 -6.795 4.815 1.00 41.51 H new ATOM 0 HB3 LEU A 59 4.516 -6.712 3.065 1.00 41.51 H new ATOM 0 HG LEU A 59 4.912 -9.249 4.715 1.00 1.41 H new ATOM 0 HD11 LEU A 59 2.691 -9.944 3.848 1.00 12.22 H new ATOM 0 HD12 LEU A 59 2.589 -8.476 4.848 1.00 12.22 H new ATOM 0 HD13 LEU A 59 2.505 -8.352 3.075 1.00 12.22 H new ATOM 0 HD21 LEU A 59 4.761 -10.463 2.559 1.00 53.30 H new ATOM 0 HD22 LEU A 59 4.715 -8.907 1.696 1.00 53.30 H new ATOM 0 HD23 LEU A 59 6.166 -9.372 2.617 1.00 53.30 H new ATOM 993 N LEU A 60 6.702 -4.804 5.161 1.00 13.40 N ATOM 994 CA LEU A 60 7.004 -3.370 5.358 1.00 10.50 C ATOM 995 C LEU A 60 8.383 -3.035 4.773 1.00 24.42 C ATOM 996 O LEU A 60 8.516 -2.146 3.916 1.00 52.23 O ATOM 997 CB LEU A 60 6.911 -3.034 6.880 1.00 21.31 C ATOM 998 CG LEU A 60 7.026 -1.526 7.343 1.00 20.41 C ATOM 999 CD1 LEU A 60 6.498 -1.376 8.778 1.00 52.15 C ATOM 1000 CD2 LEU A 60 8.474 -0.966 7.274 1.00 52.34 C ATOM 0 H LEU A 60 6.466 -5.287 6.028 1.00 13.40 H new ATOM 0 HA LEU A 60 6.276 -2.755 4.830 1.00 10.50 H new ATOM 0 HB2 LEU A 60 5.958 -3.418 7.244 1.00 21.31 H new ATOM 0 HB3 LEU A 60 7.695 -3.595 7.389 1.00 21.31 H new ATOM 0 HG LEU A 60 6.423 -0.946 6.644 1.00 20.41 H new ATOM 0 HD11 LEU A 60 6.581 -0.335 9.089 1.00 52.15 H new ATOM 0 HD12 LEU A 60 5.453 -1.684 8.815 1.00 52.15 H new ATOM 0 HD13 LEU A 60 7.085 -2.003 9.449 1.00 52.15 H new ATOM 0 HD21 LEU A 60 8.479 0.072 7.606 1.00 52.34 H new ATOM 0 HD22 LEU A 60 9.124 -1.556 7.920 1.00 52.34 H new ATOM 0 HD23 LEU A 60 8.837 -1.021 6.248 1.00 52.34 H new ATOM 1012 N GLN A 61 9.392 -3.786 5.240 1.00 12.13 N ATOM 1013 CA GLN A 61 10.793 -3.566 4.877 1.00 22.04 C ATOM 1014 C GLN A 61 11.076 -3.927 3.407 1.00 62.35 C ATOM 1015 O GLN A 61 11.907 -3.274 2.770 1.00 12.24 O ATOM 1016 CB GLN A 61 11.724 -4.334 5.848 1.00 45.43 C ATOM 1017 CG GLN A 61 11.659 -3.802 7.296 1.00 23.44 C ATOM 1018 CD GLN A 61 12.626 -4.474 8.272 1.00 21.22 C ATOM 1019 OE1 GLN A 61 13.686 -4.969 7.886 1.00 12.21 O ATOM 1020 NE2 GLN A 61 12.289 -4.448 9.552 1.00 55.23 N ATOM 0 H GLN A 61 9.254 -4.566 5.883 1.00 12.13 H new ATOM 0 HA GLN A 61 11.001 -2.500 4.974 1.00 22.04 H new ATOM 0 HB2 GLN A 61 11.453 -5.390 5.843 1.00 45.43 H new ATOM 0 HB3 GLN A 61 12.751 -4.266 5.488 1.00 45.43 H new ATOM 0 HG2 GLN A 61 11.863 -2.731 7.284 1.00 23.44 H new ATOM 0 HG3 GLN A 61 10.643 -3.928 7.669 1.00 23.44 H new ATOM 0 HE21 GLN A 61 11.403 -4.030 9.838 1.00 55.23 H new ATOM 0 HE22 GLN A 61 12.915 -4.846 10.252 1.00 55.23 H new ATOM 1029 N LYS A 62 10.360 -4.938 2.875 1.00 24.00 N ATOM 1030 CA LYS A 62 10.528 -5.394 1.487 1.00 64.11 C ATOM 1031 C LYS A 62 10.149 -4.296 0.476 1.00 72.22 C ATOM 1032 O LYS A 62 10.956 -3.959 -0.392 1.00 34.54 O ATOM 1033 CB LYS A 62 9.695 -6.673 1.229 1.00 31.21 C ATOM 1034 CG LYS A 62 10.236 -7.953 1.912 1.00 10.04 C ATOM 1035 CD LYS A 62 9.403 -9.204 1.552 1.00 13.12 C ATOM 1036 CE LYS A 62 9.396 -9.499 0.037 1.00 24.53 C ATOM 1037 NZ LYS A 62 10.769 -9.696 -0.501 1.00 20.44 N ATOM 0 H LYS A 62 9.653 -5.457 3.396 1.00 24.00 H new ATOM 0 HA LYS A 62 11.584 -5.625 1.345 1.00 64.11 H new ATOM 0 HB2 LYS A 62 8.675 -6.500 1.571 1.00 31.21 H new ATOM 0 HB3 LYS A 62 9.645 -6.846 0.154 1.00 31.21 H new ATOM 0 HG2 LYS A 62 11.273 -8.111 1.614 1.00 10.04 H new ATOM 0 HG3 LYS A 62 10.232 -7.815 2.993 1.00 10.04 H new ATOM 0 HD2 LYS A 62 9.803 -10.067 2.084 1.00 13.12 H new ATOM 0 HD3 LYS A 62 8.378 -9.064 1.896 1.00 13.12 H new ATOM 0 HE2 LYS A 62 8.800 -10.391 -0.155 1.00 24.53 H new ATOM 0 HE3 LYS A 62 8.915 -8.675 -0.490 1.00 24.53 H new ATOM 0 HZ1 LYS A 62 10.766 -10.485 -1.179 1.00 20.44 H new ATOM 0 HZ2 LYS A 62 11.082 -8.828 -0.981 1.00 20.44 H new ATOM 0 HZ3 LYS A 62 11.420 -9.913 0.280 1.00 20.44 H new ATOM 1051 N ILE A 63 8.934 -3.730 0.610 1.00 64.23 N ATOM 1052 CA ILE A 63 8.431 -2.716 -0.338 1.00 20.00 C ATOM 1053 C ILE A 63 9.334 -1.442 -0.323 1.00 51.33 C ATOM 1054 O ILE A 63 9.656 -0.906 -1.382 1.00 1.15 O ATOM 1055 CB ILE A 63 6.895 -2.376 -0.084 1.00 54.11 C ATOM 1056 CG1 ILE A 63 5.925 -3.481 -0.662 1.00 54.13 C ATOM 1057 CG2 ILE A 63 6.495 -0.997 -0.663 1.00 73.44 C ATOM 1058 CD1 ILE A 63 6.051 -4.880 -0.077 1.00 22.52 C ATOM 0 H ILE A 63 8.284 -3.957 1.363 1.00 64.23 H new ATOM 0 HA ILE A 63 8.487 -3.139 -1.341 1.00 20.00 H new ATOM 0 HB ILE A 63 6.785 -2.349 1.000 1.00 54.11 H new ATOM 0 HG12 ILE A 63 4.899 -3.143 -0.515 1.00 54.13 H new ATOM 0 HG13 ILE A 63 6.088 -3.547 -1.738 1.00 54.13 H new ATOM 0 HG21 ILE A 63 5.439 -0.811 -0.464 1.00 73.44 H new ATOM 0 HG22 ILE A 63 7.095 -0.217 -0.194 1.00 73.44 H new ATOM 0 HG23 ILE A 63 6.668 -0.990 -1.739 1.00 73.44 H new ATOM 0 HD11 ILE A 63 5.331 -5.542 -0.558 1.00 22.52 H new ATOM 0 HD12 ILE A 63 7.060 -5.256 -0.247 1.00 22.52 H new ATOM 0 HD13 ILE A 63 5.853 -4.846 0.994 1.00 22.52 H new ATOM 1070 N LYS A 64 9.800 -1.002 0.872 1.00 1.24 N ATOM 1071 CA LYS A 64 10.620 0.234 0.978 1.00 43.51 C ATOM 1072 C LYS A 64 12.052 0.042 0.431 1.00 42.41 C ATOM 1073 O LYS A 64 12.615 0.974 -0.142 1.00 74.32 O ATOM 1074 CB LYS A 64 10.628 0.797 2.438 1.00 1.52 C ATOM 1075 CG LYS A 64 11.214 -0.116 3.540 1.00 11.21 C ATOM 1076 CD LYS A 64 12.745 0.048 3.736 1.00 64.45 C ATOM 1077 CE LYS A 64 13.289 -0.863 4.835 1.00 2.20 C ATOM 1078 NZ LYS A 64 14.741 -0.664 5.072 1.00 50.01 N ATOM 0 H LYS A 64 9.628 -1.473 1.760 1.00 1.24 H new ATOM 0 HA LYS A 64 10.143 0.980 0.342 1.00 43.51 H new ATOM 0 HB2 LYS A 64 11.190 1.731 2.438 1.00 1.52 H new ATOM 0 HB3 LYS A 64 9.602 1.043 2.712 1.00 1.52 H new ATOM 0 HG2 LYS A 64 10.711 0.098 4.483 1.00 11.21 H new ATOM 0 HG3 LYS A 64 10.997 -1.155 3.292 1.00 11.21 H new ATOM 0 HD2 LYS A 64 13.255 -0.173 2.798 1.00 64.45 H new ATOM 0 HD3 LYS A 64 12.968 1.086 3.984 1.00 64.45 H new ATOM 0 HE2 LYS A 64 12.744 -0.676 5.760 1.00 2.20 H new ATOM 0 HE3 LYS A 64 13.108 -1.903 4.563 1.00 2.20 H new ATOM 0 HZ1 LYS A 64 15.061 -1.305 5.826 1.00 50.01 H new ATOM 0 HZ2 LYS A 64 15.267 -0.868 4.198 1.00 50.01 H new ATOM 0 HZ3 LYS A 64 14.914 0.321 5.358 1.00 50.01 H new ATOM 1092 N GLN A 65 12.642 -1.165 0.614 1.00 34.30 N ATOM 1093 CA GLN A 65 14.042 -1.419 0.190 1.00 24.35 C ATOM 1094 C GLN A 65 14.125 -1.750 -1.313 1.00 41.53 C ATOM 1095 O GLN A 65 15.089 -1.372 -1.981 1.00 42.02 O ATOM 1096 CB GLN A 65 14.699 -2.544 1.041 1.00 20.42 C ATOM 1097 CG GLN A 65 14.160 -3.971 0.799 1.00 44.32 C ATOM 1098 CD GLN A 65 14.745 -5.051 1.716 1.00 22.23 C ATOM 1099 OE1 GLN A 65 14.884 -6.207 1.310 1.00 64.10 O ATOM 1100 NE2 GLN A 65 15.048 -4.717 2.969 1.00 10.21 N ATOM 0 H GLN A 65 12.180 -1.966 1.045 1.00 34.30 H new ATOM 0 HA GLN A 65 14.602 -0.500 0.361 1.00 24.35 H new ATOM 0 HB2 GLN A 65 15.771 -2.543 0.845 1.00 20.42 H new ATOM 0 HB3 GLN A 65 14.567 -2.300 2.095 1.00 20.42 H new ATOM 0 HG2 GLN A 65 13.077 -3.959 0.922 1.00 44.32 H new ATOM 0 HG3 GLN A 65 14.360 -4.248 -0.236 1.00 44.32 H new ATOM 0 HE21 GLN A 65 14.925 -3.755 3.284 1.00 10.21 H new ATOM 0 HE22 GLN A 65 15.403 -5.423 3.614 1.00 10.21 H new ATOM 1109 N GLU A 66 13.103 -2.453 -1.837 1.00 63.42 N ATOM 1110 CA GLU A 66 13.094 -2.928 -3.233 1.00 44.34 C ATOM 1111 C GLU A 66 12.475 -1.885 -4.180 1.00 4.54 C ATOM 1112 O GLU A 66 13.018 -1.632 -5.259 1.00 72.23 O ATOM 1113 CB GLU A 66 12.364 -4.291 -3.333 1.00 11.13 C ATOM 1114 CG GLU A 66 13.013 -5.409 -2.489 1.00 72.51 C ATOM 1115 CD GLU A 66 12.348 -6.783 -2.659 1.00 23.43 C ATOM 1116 OE1 GLU A 66 12.717 -7.510 -3.605 1.00 23.33 O ATOM 1117 OE2 GLU A 66 11.472 -7.152 -1.847 1.00 71.42 O ATOM 0 H GLU A 66 12.267 -2.706 -1.310 1.00 63.42 H new ATOM 0 HA GLU A 66 14.127 -3.071 -3.551 1.00 44.34 H new ATOM 0 HB2 GLU A 66 11.329 -4.163 -3.015 1.00 11.13 H new ATOM 0 HB3 GLU A 66 12.340 -4.604 -4.377 1.00 11.13 H new ATOM 0 HG2 GLU A 66 14.066 -5.490 -2.759 1.00 72.51 H new ATOM 0 HG3 GLU A 66 12.975 -5.125 -1.437 1.00 72.51 H new ATOM 1124 N ALA A 67 11.340 -1.278 -3.781 1.00 14.11 N ATOM 1125 CA ALA A 67 10.683 -0.223 -4.593 1.00 63.42 C ATOM 1126 C ALA A 67 11.331 1.157 -4.375 1.00 41.52 C ATOM 1127 O ALA A 67 11.130 2.066 -5.197 1.00 54.45 O ATOM 1128 CB ALA A 67 9.171 -0.188 -4.322 1.00 63.32 C ATOM 0 H ALA A 67 10.858 -1.495 -2.908 1.00 14.11 H new ATOM 0 HA ALA A 67 10.830 -0.476 -5.643 1.00 63.42 H new ATOM 0 HB1 ALA A 67 8.711 0.593 -4.928 1.00 63.32 H new ATOM 0 HB2 ALA A 67 8.733 -1.152 -4.579 1.00 63.32 H new ATOM 0 HB3 ALA A 67 8.995 0.021 -3.267 1.00 63.32 H new ATOM 1134 N ASN A 68 12.094 1.290 -3.263 1.00 3.40 N ATOM 1135 CA ASN A 68 12.857 2.515 -2.912 1.00 22.15 C ATOM 1136 C ASN A 68 11.883 3.682 -2.628 1.00 31.42 C ATOM 1137 O ASN A 68 12.038 4.800 -3.134 1.00 54.15 O ATOM 1138 CB ASN A 68 13.912 2.862 -4.019 1.00 40.01 C ATOM 1139 CG ASN A 68 14.908 3.962 -3.613 1.00 31.55 C ATOM 1140 OD1 ASN A 68 15.284 4.086 -2.444 1.00 22.13 O ATOM 1141 ND2 ASN A 68 15.343 4.769 -4.577 1.00 71.30 N ATOM 0 H ASN A 68 12.199 0.543 -2.577 1.00 3.40 H new ATOM 0 HA ASN A 68 13.424 2.333 -1.999 1.00 22.15 H new ATOM 0 HB2 ASN A 68 14.467 1.959 -4.272 1.00 40.01 H new ATOM 0 HB3 ASN A 68 13.387 3.177 -4.921 1.00 40.01 H new ATOM 0 HD21 ASN A 68 16.005 5.514 -4.359 1.00 71.30 H new ATOM 0 HD22 ASN A 68 15.015 4.643 -5.535 1.00 71.30 H new ATOM 1148 N VAL A 69 10.877 3.400 -1.781 1.00 73.32 N ATOM 1149 CA VAL A 69 9.743 4.322 -1.521 1.00 12.03 C ATOM 1150 C VAL A 69 9.512 4.527 -0.013 1.00 44.01 C ATOM 1151 O VAL A 69 10.002 3.751 0.818 1.00 51.31 O ATOM 1152 CB VAL A 69 8.414 3.802 -2.189 1.00 11.51 C ATOM 1153 CG1 VAL A 69 8.517 3.823 -3.730 1.00 60.33 C ATOM 1154 CG2 VAL A 69 8.037 2.391 -1.671 1.00 32.15 C ATOM 0 H VAL A 69 10.822 2.528 -1.255 1.00 73.32 H new ATOM 0 HA VAL A 69 10.012 5.280 -1.967 1.00 12.03 H new ATOM 0 HB VAL A 69 7.613 4.483 -1.901 1.00 11.51 H new ATOM 0 HG11 VAL A 69 7.585 3.459 -4.162 1.00 60.33 H new ATOM 0 HG12 VAL A 69 8.700 4.843 -4.069 1.00 60.33 H new ATOM 0 HG13 VAL A 69 9.339 3.182 -4.048 1.00 60.33 H new ATOM 0 HG21 VAL A 69 7.116 2.061 -2.151 1.00 32.15 H new ATOM 0 HG22 VAL A 69 8.839 1.691 -1.905 1.00 32.15 H new ATOM 0 HG23 VAL A 69 7.891 2.427 -0.591 1.00 32.15 H new ATOM 1164 N GLN A 70 8.757 5.590 0.312 1.00 73.05 N ATOM 1165 CA GLN A 70 8.374 5.927 1.686 1.00 21.13 C ATOM 1166 C GLN A 70 7.127 5.112 2.070 1.00 72.10 C ATOM 1167 O GLN A 70 6.048 5.316 1.503 1.00 13.23 O ATOM 1168 CB GLN A 70 8.082 7.450 1.786 1.00 50.03 C ATOM 1169 CG GLN A 70 9.262 8.355 1.359 1.00 34.45 C ATOM 1170 CD GLN A 70 10.506 8.240 2.257 1.00 72.43 C ATOM 1171 OE1 GLN A 70 10.409 7.985 3.459 1.00 51.43 O ATOM 1172 NE2 GLN A 70 11.691 8.436 1.680 1.00 32.22 N ATOM 0 H GLN A 70 8.394 6.244 -0.382 1.00 73.05 H new ATOM 0 HA GLN A 70 9.185 5.684 2.372 1.00 21.13 H new ATOM 0 HB2 GLN A 70 7.217 7.684 1.165 1.00 50.03 H new ATOM 0 HB3 GLN A 70 7.810 7.689 2.814 1.00 50.03 H new ATOM 0 HG2 GLN A 70 9.543 8.107 0.336 1.00 34.45 H new ATOM 0 HG3 GLN A 70 8.926 9.392 1.355 1.00 34.45 H new ATOM 0 HE21 GLN A 70 11.744 8.646 0.683 1.00 32.22 H new ATOM 0 HE22 GLN A 70 12.545 8.376 2.235 1.00 32.22 H new ATOM 1181 N VAL A 71 7.293 4.190 3.026 1.00 54.35 N ATOM 1182 CA VAL A 71 6.221 3.281 3.469 1.00 63.23 C ATOM 1183 C VAL A 71 5.537 3.815 4.734 1.00 1.12 C ATOM 1184 O VAL A 71 6.192 4.328 5.647 1.00 41.34 O ATOM 1185 CB VAL A 71 6.787 1.829 3.703 1.00 21.01 C ATOM 1186 CG1 VAL A 71 5.845 0.944 4.560 1.00 71.31 C ATOM 1187 CG2 VAL A 71 7.083 1.156 2.342 1.00 41.34 C ATOM 0 H VAL A 71 8.176 4.050 3.517 1.00 54.35 H new ATOM 0 HA VAL A 71 5.470 3.230 2.681 1.00 63.23 H new ATOM 0 HB VAL A 71 7.712 1.930 4.271 1.00 21.01 H new ATOM 0 HG11 VAL A 71 6.289 -0.044 4.686 1.00 71.31 H new ATOM 0 HG12 VAL A 71 5.702 1.405 5.537 1.00 71.31 H new ATOM 0 HG13 VAL A 71 4.882 0.847 4.060 1.00 71.31 H new ATOM 0 HG21 VAL A 71 7.474 0.152 2.510 1.00 41.34 H new ATOM 0 HG22 VAL A 71 6.164 1.095 1.759 1.00 41.34 H new ATOM 0 HG23 VAL A 71 7.820 1.746 1.797 1.00 41.34 H new ATOM 1197 N TYR A 72 4.199 3.691 4.759 1.00 72.21 N ATOM 1198 CA TYR A 72 3.356 4.088 5.892 1.00 51.24 C ATOM 1199 C TYR A 72 2.485 2.887 6.295 1.00 41.14 C ATOM 1200 O TYR A 72 1.507 2.566 5.610 1.00 10.20 O ATOM 1201 CB TYR A 72 2.489 5.308 5.480 1.00 23.44 C ATOM 1202 CG TYR A 72 3.326 6.547 5.117 1.00 1.34 C ATOM 1203 CD1 TYR A 72 3.753 7.436 6.106 1.00 61.22 C ATOM 1204 CD2 TYR A 72 3.700 6.819 3.790 1.00 2.55 C ATOM 1205 CE1 TYR A 72 4.528 8.537 5.794 1.00 52.24 C ATOM 1206 CE2 TYR A 72 4.473 7.923 3.477 1.00 44.44 C ATOM 1207 CZ TYR A 72 4.879 8.779 4.481 1.00 5.35 C ATOM 1208 OH TYR A 72 5.659 9.876 4.174 1.00 3.24 O ATOM 0 H TYR A 72 3.668 3.306 3.978 1.00 72.21 H new ATOM 0 HA TYR A 72 3.964 4.382 6.748 1.00 51.24 H new ATOM 0 HB2 TYR A 72 1.868 5.034 4.627 1.00 23.44 H new ATOM 0 HB3 TYR A 72 1.814 5.560 6.298 1.00 23.44 H new ATOM 0 HD1 TYR A 72 3.472 7.260 7.134 1.00 61.22 H new ATOM 0 HD2 TYR A 72 3.379 6.155 3.001 1.00 2.55 H new ATOM 0 HE1 TYR A 72 4.858 9.206 6.575 1.00 52.24 H new ATOM 0 HE2 TYR A 72 4.757 8.114 2.453 1.00 44.44 H new ATOM 0 HH TYR A 72 6.411 9.596 3.611 1.00 3.24 H new ATOM 1218 N ARG A 73 2.873 2.196 7.389 1.00 31.21 N ATOM 1219 CA ARG A 73 2.155 0.999 7.860 1.00 60.22 C ATOM 1220 C ARG A 73 0.910 1.427 8.649 1.00 45.33 C ATOM 1221 O ARG A 73 1.010 1.984 9.748 1.00 14.14 O ATOM 1222 CB ARG A 73 3.045 0.081 8.733 1.00 23.51 C ATOM 1223 CG ARG A 73 2.329 -1.225 9.180 1.00 44.13 C ATOM 1224 CD ARG A 73 3.123 -2.045 10.207 1.00 52.13 C ATOM 1225 NE ARG A 73 2.387 -3.249 10.633 1.00 10.01 N ATOM 1226 CZ ARG A 73 1.485 -3.299 11.627 1.00 51.42 C ATOM 1227 NH1 ARG A 73 1.161 -2.211 12.330 1.00 55.23 N ATOM 1228 NH2 ARG A 73 0.895 -4.447 11.912 1.00 22.13 N ATOM 0 H ARG A 73 3.679 2.449 7.960 1.00 31.21 H new ATOM 0 HA ARG A 73 1.864 0.422 6.982 1.00 60.22 H new ATOM 0 HB2 ARG A 73 3.945 -0.179 8.175 1.00 23.51 H new ATOM 0 HB3 ARG A 73 3.366 0.632 9.617 1.00 23.51 H new ATOM 0 HG2 ARG A 73 1.358 -0.969 9.605 1.00 44.13 H new ATOM 0 HG3 ARG A 73 2.140 -1.844 8.303 1.00 44.13 H new ATOM 0 HD2 ARG A 73 4.081 -2.338 9.776 1.00 52.13 H new ATOM 0 HD3 ARG A 73 3.341 -1.425 11.077 1.00 52.13 H new ATOM 0 HE ARG A 73 2.579 -4.116 10.131 1.00 10.01 H new ATOM 0 HH11 ARG A 73 1.602 -1.316 12.117 1.00 55.23 H new ATOM 0 HH12 ARG A 73 0.473 -2.275 13.080 1.00 55.23 H new ATOM 0 HH21 ARG A 73 1.126 -5.285 11.379 1.00 22.13 H new ATOM 0 HH22 ARG A 73 0.209 -4.495 12.665 1.00 22.13 H new ATOM 1242 N VAL A 74 -0.253 1.176 8.060 1.00 33.53 N ATOM 1243 CA VAL A 74 -1.557 1.543 8.621 1.00 65.54 C ATOM 1244 C VAL A 74 -2.321 0.280 9.051 1.00 3.31 C ATOM 1245 O VAL A 74 -2.215 -0.756 8.410 1.00 51.43 O ATOM 1246 CB VAL A 74 -2.361 2.362 7.545 1.00 31.44 C ATOM 1247 CG1 VAL A 74 -3.856 2.476 7.886 1.00 54.11 C ATOM 1248 CG2 VAL A 74 -1.723 3.764 7.337 1.00 54.43 C ATOM 0 H VAL A 74 -0.322 0.702 7.160 1.00 33.53 H new ATOM 0 HA VAL A 74 -1.423 2.164 9.507 1.00 65.54 H new ATOM 0 HB VAL A 74 -2.299 1.809 6.608 1.00 31.44 H new ATOM 0 HG11 VAL A 74 -4.363 3.051 7.111 1.00 54.11 H new ATOM 0 HG12 VAL A 74 -4.293 1.479 7.943 1.00 54.11 H new ATOM 0 HG13 VAL A 74 -3.973 2.979 8.846 1.00 54.11 H new ATOM 0 HG21 VAL A 74 -2.293 4.316 6.589 1.00 54.43 H new ATOM 0 HG22 VAL A 74 -1.734 4.312 8.279 1.00 54.43 H new ATOM 0 HG23 VAL A 74 -0.694 3.649 6.997 1.00 54.43 H new ATOM 1258 N THR A 75 -3.046 0.364 10.184 1.00 11.12 N ATOM 1259 CA THR A 75 -3.962 -0.703 10.652 1.00 61.43 C ATOM 1260 C THR A 75 -5.320 -0.103 11.112 1.00 52.43 C ATOM 1261 O THR A 75 -6.175 -0.817 11.652 1.00 63.31 O ATOM 1262 CB THR A 75 -3.308 -1.528 11.817 1.00 74.14 C ATOM 1263 OG1 THR A 75 -2.824 -0.633 12.829 1.00 63.43 O ATOM 1264 CG2 THR A 75 -2.150 -2.427 11.337 1.00 42.13 C ATOM 0 H THR A 75 -3.015 1.174 10.804 1.00 11.12 H new ATOM 0 HA THR A 75 -4.148 -1.376 9.815 1.00 61.43 H new ATOM 0 HB THR A 75 -4.083 -2.181 12.218 1.00 74.14 H new ATOM 0 HG1 THR A 75 -2.418 -1.150 13.556 1.00 63.43 H new ATOM 0 HG21 THR A 75 -1.737 -2.973 12.186 1.00 42.13 H new ATOM 0 HG22 THR A 75 -2.522 -3.135 10.596 1.00 42.13 H new ATOM 0 HG23 THR A 75 -1.371 -1.809 10.889 1.00 42.13 H new ATOM 1272 N SER A 76 -5.526 1.203 10.846 1.00 50.45 N ATOM 1273 CA SER A 76 -6.709 1.967 11.305 1.00 11.34 C ATOM 1274 C SER A 76 -7.168 2.930 10.196 1.00 20.44 C ATOM 1275 O SER A 76 -6.320 3.475 9.485 1.00 10.02 O ATOM 1276 CB SER A 76 -6.337 2.753 12.585 1.00 14.24 C ATOM 1277 OG SER A 76 -7.403 3.559 13.056 1.00 12.12 O ATOM 0 H SER A 76 -4.871 1.764 10.302 1.00 50.45 H new ATOM 0 HA SER A 76 -7.528 1.284 11.530 1.00 11.34 H new ATOM 0 HB2 SER A 76 -6.044 2.051 13.366 1.00 14.24 H new ATOM 0 HB3 SER A 76 -5.471 3.384 12.382 1.00 14.24 H new ATOM 0 HG SER A 76 -7.121 4.034 13.866 1.00 12.12 H new ATOM 1283 N ASN A 77 -8.499 3.150 10.070 1.00 54.34 N ATOM 1284 CA ASN A 77 -9.069 4.065 9.054 1.00 2.20 C ATOM 1285 C ASN A 77 -8.539 5.488 9.251 1.00 23.42 C ATOM 1286 O ASN A 77 -8.222 6.159 8.276 1.00 5.11 O ATOM 1287 CB ASN A 77 -10.625 4.083 9.085 1.00 62.35 C ATOM 1288 CG ASN A 77 -11.276 2.753 8.685 1.00 34.15 C ATOM 1289 OD1 ASN A 77 -10.725 1.976 7.904 1.00 61.14 O ATOM 1290 ND2 ASN A 77 -12.468 2.495 9.202 1.00 75.45 N ATOM 0 H ASN A 77 -9.199 2.704 10.662 1.00 54.34 H new ATOM 0 HA ASN A 77 -8.755 3.688 8.081 1.00 2.20 H new ATOM 0 HB2 ASN A 77 -10.954 4.349 10.090 1.00 62.35 H new ATOM 0 HB3 ASN A 77 -10.982 4.865 8.415 1.00 62.35 H new ATOM 0 HD21 ASN A 77 -12.955 1.633 8.956 1.00 75.45 H new ATOM 0 HD22 ASN A 77 -12.899 3.158 9.846 1.00 75.45 H new ATOM 1297 N ASP A 78 -8.423 5.913 10.531 1.00 10.52 N ATOM 1298 CA ASP A 78 -7.879 7.234 10.894 1.00 42.24 C ATOM 1299 C ASP A 78 -6.477 7.425 10.298 1.00 54.30 C ATOM 1300 O ASP A 78 -6.234 8.397 9.588 1.00 41.35 O ATOM 1301 CB ASP A 78 -7.833 7.421 12.438 1.00 55.44 C ATOM 1302 CG ASP A 78 -9.227 7.604 13.066 1.00 30.13 C ATOM 1303 OD1 ASP A 78 -9.776 8.718 13.009 1.00 1.14 O ATOM 1304 OD2 ASP A 78 -9.788 6.638 13.612 1.00 34.20 O ATOM 0 H ASP A 78 -8.703 5.350 11.334 1.00 10.52 H new ATOM 0 HA ASP A 78 -8.545 7.990 10.479 1.00 42.24 H new ATOM 0 HB2 ASP A 78 -7.349 6.555 12.889 1.00 55.44 H new ATOM 0 HB3 ASP A 78 -7.218 8.289 12.675 1.00 55.44 H new ATOM 1309 N GLU A 79 -5.591 6.438 10.533 1.00 70.14 N ATOM 1310 CA GLU A 79 -4.190 6.480 10.070 1.00 52.51 C ATOM 1311 C GLU A 79 -4.115 6.495 8.529 1.00 0.24 C ATOM 1312 O GLU A 79 -3.284 7.205 7.948 1.00 23.11 O ATOM 1313 CB GLU A 79 -3.402 5.275 10.656 1.00 30.20 C ATOM 1314 CG GLU A 79 -3.414 5.197 12.198 1.00 23.32 C ATOM 1315 CD GLU A 79 -2.907 6.482 12.886 1.00 60.32 C ATOM 1316 OE1 GLU A 79 -1.677 6.705 12.921 1.00 63.31 O ATOM 1317 OE2 GLU A 79 -3.733 7.280 13.382 1.00 61.15 O ATOM 0 H GLU A 79 -5.826 5.590 11.049 1.00 70.14 H new ATOM 0 HA GLU A 79 -3.733 7.402 10.428 1.00 52.51 H new ATOM 0 HB2 GLU A 79 -3.820 4.352 10.254 1.00 30.20 H new ATOM 0 HB3 GLU A 79 -2.368 5.331 10.315 1.00 30.20 H new ATOM 0 HG2 GLU A 79 -4.430 4.991 12.535 1.00 23.32 H new ATOM 0 HG3 GLU A 79 -2.796 4.357 12.516 1.00 23.32 H new ATOM 1324 N LEU A 80 -5.031 5.734 7.894 1.00 11.33 N ATOM 1325 CA LEU A 80 -5.139 5.628 6.428 1.00 33.11 C ATOM 1326 C LEU A 80 -5.439 7.009 5.836 1.00 1.31 C ATOM 1327 O LEU A 80 -4.637 7.544 5.066 1.00 51.52 O ATOM 1328 CB LEU A 80 -6.246 4.572 6.074 1.00 22.53 C ATOM 1329 CG LEU A 80 -6.482 4.182 4.564 1.00 55.34 C ATOM 1330 CD1 LEU A 80 -7.484 5.103 3.857 1.00 55.25 C ATOM 1331 CD2 LEU A 80 -5.156 4.105 3.776 1.00 2.23 C ATOM 0 H LEU A 80 -5.722 5.172 8.391 1.00 11.33 H new ATOM 0 HA LEU A 80 -4.200 5.287 5.993 1.00 33.11 H new ATOM 0 HB2 LEU A 80 -6.011 3.656 6.617 1.00 22.53 H new ATOM 0 HB3 LEU A 80 -7.192 4.943 6.469 1.00 22.53 H new ATOM 0 HG LEU A 80 -6.925 3.186 4.581 1.00 55.34 H new ATOM 0 HD11 LEU A 80 -7.604 4.784 2.822 1.00 55.25 H new ATOM 0 HD12 LEU A 80 -8.446 5.053 4.366 1.00 55.25 H new ATOM 0 HD13 LEU A 80 -7.115 6.128 3.880 1.00 55.25 H new ATOM 0 HD21 LEU A 80 -5.363 3.834 2.741 1.00 2.23 H new ATOM 0 HD22 LEU A 80 -4.659 5.075 3.804 1.00 2.23 H new ATOM 0 HD23 LEU A 80 -4.509 3.352 4.226 1.00 2.23 H new ATOM 1343 N GLU A 81 -6.560 7.594 6.294 1.00 12.02 N ATOM 1344 CA GLU A 81 -7.074 8.879 5.809 1.00 13.31 C ATOM 1345 C GLU A 81 -6.058 10.019 6.049 1.00 2.10 C ATOM 1346 O GLU A 81 -5.934 10.903 5.208 1.00 31.10 O ATOM 1347 CB GLU A 81 -8.440 9.175 6.488 1.00 10.12 C ATOM 1348 CG GLU A 81 -9.553 8.148 6.139 1.00 43.51 C ATOM 1349 CD GLU A 81 -10.808 8.276 7.027 1.00 33.10 C ATOM 1350 OE1 GLU A 81 -10.815 7.713 8.143 1.00 21.33 O ATOM 1351 OE2 GLU A 81 -11.788 8.940 6.618 1.00 62.32 O ATOM 0 H GLU A 81 -7.140 7.178 7.022 1.00 12.02 H new ATOM 0 HA GLU A 81 -7.224 8.819 4.731 1.00 13.31 H new ATOM 0 HB2 GLU A 81 -8.301 9.192 7.569 1.00 10.12 H new ATOM 0 HB3 GLU A 81 -8.773 10.170 6.194 1.00 10.12 H new ATOM 0 HG2 GLU A 81 -9.841 8.277 5.096 1.00 43.51 H new ATOM 0 HG3 GLU A 81 -9.150 7.140 6.236 1.00 43.51 H new ATOM 1358 N GLN A 82 -5.304 9.946 7.175 1.00 23.31 N ATOM 1359 CA GLN A 82 -4.248 10.931 7.506 1.00 1.20 C ATOM 1360 C GLN A 82 -3.131 10.927 6.444 1.00 24.44 C ATOM 1361 O GLN A 82 -2.721 11.995 5.968 1.00 52.15 O ATOM 1362 CB GLN A 82 -3.643 10.662 8.920 1.00 32.23 C ATOM 1363 CG GLN A 82 -4.579 10.974 10.109 1.00 45.30 C ATOM 1364 CD GLN A 82 -4.920 12.460 10.264 1.00 0.44 C ATOM 1365 OE1 GLN A 82 -4.237 13.200 10.971 1.00 2.52 O ATOM 1366 NE2 GLN A 82 -5.980 12.908 9.612 1.00 33.44 N ATOM 0 H GLN A 82 -5.411 9.209 7.872 1.00 23.31 H new ATOM 0 HA GLN A 82 -4.716 11.915 7.514 1.00 1.20 H new ATOM 0 HB2 GLN A 82 -3.347 9.615 8.977 1.00 32.23 H new ATOM 0 HB3 GLN A 82 -2.735 11.256 9.028 1.00 32.23 H new ATOM 0 HG2 GLN A 82 -5.504 10.411 9.987 1.00 45.30 H new ATOM 0 HG3 GLN A 82 -4.111 10.622 11.028 1.00 45.30 H new ATOM 0 HE21 GLN A 82 -6.529 12.273 9.033 1.00 33.44 H new ATOM 0 HE22 GLN A 82 -6.249 13.889 9.689 1.00 33.44 H new ATOM 1375 N VAL A 83 -2.640 9.722 6.084 1.00 1.20 N ATOM 1376 CA VAL A 83 -1.585 9.576 5.062 1.00 11.34 C ATOM 1377 C VAL A 83 -2.094 10.018 3.667 1.00 3.42 C ATOM 1378 O VAL A 83 -1.339 10.624 2.906 1.00 5.33 O ATOM 1379 CB VAL A 83 -1.017 8.109 5.004 1.00 71.53 C ATOM 1380 CG1 VAL A 83 0.087 7.964 3.923 1.00 53.41 C ATOM 1381 CG2 VAL A 83 -0.486 7.666 6.392 1.00 34.11 C ATOM 0 H VAL A 83 -2.957 8.840 6.485 1.00 1.20 H new ATOM 0 HA VAL A 83 -0.766 10.233 5.356 1.00 11.34 H new ATOM 0 HB VAL A 83 -1.841 7.452 4.724 1.00 71.53 H new ATOM 0 HG11 VAL A 83 0.454 6.938 3.913 1.00 53.41 H new ATOM 0 HG12 VAL A 83 -0.327 8.211 2.945 1.00 53.41 H new ATOM 0 HG13 VAL A 83 0.910 8.642 4.150 1.00 53.41 H new ATOM 0 HG21 VAL A 83 -0.099 6.649 6.326 1.00 34.11 H new ATOM 0 HG22 VAL A 83 0.312 8.338 6.708 1.00 34.11 H new ATOM 0 HG23 VAL A 83 -1.297 7.699 7.119 1.00 34.11 H new ATOM 1391 N VAL A 84 -3.386 9.747 3.362 1.00 11.41 N ATOM 1392 CA VAL A 84 -4.002 10.141 2.068 1.00 3.14 C ATOM 1393 C VAL A 84 -4.110 11.687 1.954 1.00 15.24 C ATOM 1394 O VAL A 84 -3.938 12.250 0.865 1.00 24.33 O ATOM 1395 CB VAL A 84 -5.416 9.478 1.847 1.00 2.53 C ATOM 1396 CG1 VAL A 84 -5.990 9.811 0.446 1.00 51.00 C ATOM 1397 CG2 VAL A 84 -5.356 7.947 2.042 1.00 43.21 C ATOM 0 H VAL A 84 -4.022 9.258 3.992 1.00 11.41 H new ATOM 0 HA VAL A 84 -3.343 9.771 1.283 1.00 3.14 H new ATOM 0 HB VAL A 84 -6.083 9.898 2.600 1.00 2.53 H new ATOM 0 HG11 VAL A 84 -6.965 9.337 0.330 1.00 51.00 H new ATOM 0 HG12 VAL A 84 -6.097 10.891 0.344 1.00 51.00 H new ATOM 0 HG13 VAL A 84 -5.312 9.439 -0.323 1.00 51.00 H new ATOM 0 HG21 VAL A 84 -6.346 7.521 1.883 1.00 43.21 H new ATOM 0 HG22 VAL A 84 -4.656 7.516 1.326 1.00 43.21 H new ATOM 0 HG23 VAL A 84 -5.023 7.722 3.055 1.00 43.21 H new ATOM 1407 N LYS A 85 -4.369 12.352 3.094 1.00 3.42 N ATOM 1408 CA LYS A 85 -4.390 13.832 3.189 1.00 54.43 C ATOM 1409 C LYS A 85 -2.975 14.414 2.965 1.00 1.53 C ATOM 1410 O LYS A 85 -2.815 15.465 2.339 1.00 70.45 O ATOM 1411 CB LYS A 85 -4.930 14.277 4.579 1.00 23.51 C ATOM 1412 CG LYS A 85 -6.420 13.944 4.843 1.00 15.23 C ATOM 1413 CD LYS A 85 -6.852 14.210 6.309 1.00 42.20 C ATOM 1414 CE LYS A 85 -6.781 15.694 6.716 1.00 13.22 C ATOM 1415 NZ LYS A 85 -7.716 16.543 5.926 1.00 60.53 N ATOM 0 H LYS A 85 -4.570 11.884 3.978 1.00 3.42 H new ATOM 0 HA LYS A 85 -5.052 14.213 2.411 1.00 54.43 H new ATOM 0 HB2 LYS A 85 -4.326 13.806 5.354 1.00 23.51 H new ATOM 0 HB3 LYS A 85 -4.791 15.354 4.678 1.00 23.51 H new ATOM 0 HG2 LYS A 85 -7.043 14.537 4.174 1.00 15.23 H new ATOM 0 HG3 LYS A 85 -6.600 12.896 4.602 1.00 15.23 H new ATOM 0 HD2 LYS A 85 -7.872 13.853 6.448 1.00 42.20 H new ATOM 0 HD3 LYS A 85 -6.217 13.628 6.977 1.00 42.20 H new ATOM 0 HE2 LYS A 85 -7.015 15.789 7.776 1.00 13.22 H new ATOM 0 HE3 LYS A 85 -5.762 16.057 6.581 1.00 13.22 H new ATOM 0 HZ1 LYS A 85 -7.682 17.520 6.281 1.00 60.53 H new ATOM 0 HZ2 LYS A 85 -7.436 16.529 4.924 1.00 60.53 H new ATOM 0 HZ3 LYS A 85 -8.684 16.174 6.020 1.00 60.53 H new ATOM 1429 N ASP A 86 -1.967 13.687 3.480 1.00 21.13 N ATOM 1430 CA ASP A 86 -0.546 14.098 3.458 1.00 2.31 C ATOM 1431 C ASP A 86 0.048 14.024 2.036 1.00 25.12 C ATOM 1432 O ASP A 86 0.744 14.943 1.600 1.00 4.52 O ATOM 1433 CB ASP A 86 0.257 13.198 4.439 1.00 3.15 C ATOM 1434 CG ASP A 86 1.764 13.510 4.486 1.00 73.43 C ATOM 1435 OD1 ASP A 86 2.134 14.599 4.967 1.00 74.24 O ATOM 1436 OD2 ASP A 86 2.589 12.664 4.080 1.00 65.44 O ATOM 0 H ASP A 86 -2.116 12.784 3.930 1.00 21.13 H new ATOM 0 HA ASP A 86 -0.478 15.139 3.775 1.00 2.31 H new ATOM 0 HB2 ASP A 86 -0.158 13.310 5.441 1.00 3.15 H new ATOM 0 HB3 ASP A 86 0.121 12.155 4.153 1.00 3.15 H new ATOM 1441 N VAL A 87 -0.229 12.916 1.330 1.00 63.35 N ATOM 1442 CA VAL A 87 0.253 12.693 -0.052 1.00 4.11 C ATOM 1443 C VAL A 87 -0.512 13.576 -1.064 1.00 61.32 C ATOM 1444 O VAL A 87 0.034 13.944 -2.104 1.00 72.02 O ATOM 1445 CB VAL A 87 0.175 11.161 -0.436 1.00 21.52 C ATOM 1446 CG1 VAL A 87 -1.242 10.616 -0.279 1.00 44.32 C ATOM 1447 CG2 VAL A 87 0.720 10.866 -1.856 1.00 33.44 C ATOM 0 H VAL A 87 -0.792 12.148 1.696 1.00 63.35 H new ATOM 0 HA VAL A 87 1.301 12.990 -0.095 1.00 4.11 H new ATOM 0 HB VAL A 87 0.825 10.641 0.268 1.00 21.52 H new ATOM 0 HG11 VAL A 87 -1.258 9.561 -0.551 1.00 44.32 H new ATOM 0 HG12 VAL A 87 -1.562 10.728 0.757 1.00 44.32 H new ATOM 0 HG13 VAL A 87 -1.919 11.169 -0.930 1.00 44.32 H new ATOM 0 HG21 VAL A 87 0.640 9.799 -2.062 1.00 33.44 H new ATOM 0 HG22 VAL A 87 0.139 11.422 -2.592 1.00 33.44 H new ATOM 0 HG23 VAL A 87 1.765 11.170 -1.915 1.00 33.44 H new ATOM 1457 N LYS A 88 -1.773 13.933 -0.740 1.00 74.23 N ATOM 1458 CA LYS A 88 -2.577 14.889 -1.546 1.00 42.13 C ATOM 1459 C LYS A 88 -2.516 16.315 -0.932 1.00 43.35 C ATOM 1460 O LYS A 88 -3.425 17.128 -1.145 1.00 21.34 O ATOM 1461 CB LYS A 88 -4.063 14.399 -1.688 1.00 74.24 C ATOM 1462 CG LYS A 88 -4.330 13.340 -2.792 1.00 73.00 C ATOM 1463 CD LYS A 88 -3.661 11.985 -2.510 1.00 41.44 C ATOM 1464 CE LYS A 88 -3.890 10.953 -3.622 1.00 12.25 C ATOM 1465 NZ LYS A 88 -3.315 11.381 -4.932 1.00 53.41 N ATOM 0 H LYS A 88 -2.263 13.573 0.079 1.00 74.23 H new ATOM 0 HA LYS A 88 -2.145 14.933 -2.546 1.00 42.13 H new ATOM 0 HB2 LYS A 88 -4.381 13.985 -0.731 1.00 74.24 H new ATOM 0 HB3 LYS A 88 -4.693 15.266 -1.885 1.00 74.24 H new ATOM 0 HG2 LYS A 88 -5.405 13.193 -2.892 1.00 73.00 H new ATOM 0 HG3 LYS A 88 -3.971 13.723 -3.747 1.00 73.00 H new ATOM 0 HD2 LYS A 88 -2.590 12.137 -2.379 1.00 41.44 H new ATOM 0 HD3 LYS A 88 -4.044 11.587 -1.570 1.00 41.44 H new ATOM 0 HE2 LYS A 88 -3.445 10.003 -3.327 1.00 12.25 H new ATOM 0 HE3 LYS A 88 -4.960 10.781 -3.738 1.00 12.25 H new ATOM 0 HZ1 LYS A 88 -3.453 10.627 -5.635 1.00 53.41 H new ATOM 0 HZ2 LYS A 88 -3.793 12.246 -5.255 1.00 53.41 H new ATOM 0 HZ3 LYS A 88 -2.298 11.568 -4.820 1.00 53.41 H new ATOM 1479 N GLY A 89 -1.423 16.617 -0.199 1.00 23.33 N ATOM 1480 CA GLY A 89 -1.185 17.953 0.371 1.00 42.21 C ATOM 1481 C GLY A 89 0.246 18.095 0.857 1.00 31.32 C ATOM 1482 O GLY A 89 0.506 18.663 1.925 1.00 41.21 O ATOM 0 H GLY A 89 -0.687 15.943 0.011 1.00 23.33 H new ATOM 0 HA2 GLY A 89 -1.394 18.714 -0.380 1.00 42.21 H new ATOM 0 HA3 GLY A 89 -1.872 18.126 1.199 1.00 42.21 H new ATOM 1486 N SER A 90 1.180 17.589 0.038 1.00 51.54 N ATOM 1487 CA SER A 90 2.598 17.457 0.394 1.00 34.51 C ATOM 1488 C SER A 90 3.362 18.797 0.220 1.00 64.52 C ATOM 1489 O SER A 90 3.892 19.099 -0.855 1.00 12.33 O ATOM 1490 CB SER A 90 3.213 16.311 -0.450 1.00 42.14 C ATOM 1491 OG SER A 90 2.926 16.469 -1.836 1.00 12.44 O ATOM 0 H SER A 90 0.967 17.256 -0.902 1.00 51.54 H new ATOM 0 HA SER A 90 2.689 17.205 1.451 1.00 34.51 H new ATOM 0 HB2 SER A 90 4.293 16.288 -0.302 1.00 42.14 H new ATOM 0 HB3 SER A 90 2.823 15.354 -0.104 1.00 42.14 H new ATOM 0 HG SER A 90 3.116 17.392 -2.106 1.00 12.44 H new ATOM 1497 N GLY A 91 3.397 19.608 1.296 1.00 31.30 N ATOM 1498 CA GLY A 91 4.060 20.922 1.272 1.00 10.11 C ATOM 1499 C GLY A 91 5.425 20.902 1.938 1.00 25.14 C ATOM 1500 O GLY A 91 5.620 21.516 2.994 1.00 64.00 O ATOM 0 H GLY A 91 2.972 19.373 2.193 1.00 31.30 H new ATOM 0 HA2 GLY A 91 4.169 21.250 0.238 1.00 10.11 H new ATOM 0 HA3 GLY A 91 3.426 21.653 1.773 1.00 10.11 H new ATOM 1504 N LEU A 92 6.378 20.205 1.295 1.00 65.43 N ATOM 1505 CA LEU A 92 7.763 20.071 1.799 1.00 75.44 C ATOM 1506 C LEU A 92 8.512 21.410 1.644 1.00 5.50 C ATOM 1507 O LEU A 92 9.357 21.762 2.467 1.00 73.25 O ATOM 1508 CB LEU A 92 8.542 18.938 1.049 1.00 70.31 C ATOM 1509 CG LEU A 92 8.106 17.450 1.305 1.00 75.14 C ATOM 1510 CD1 LEU A 92 6.658 17.179 0.862 1.00 52.43 C ATOM 1511 CD2 LEU A 92 9.083 16.472 0.611 1.00 44.43 C ATOM 0 H LEU A 92 6.214 19.719 0.414 1.00 65.43 H new ATOM 0 HA LEU A 92 7.709 19.801 2.854 1.00 75.44 H new ATOM 0 HB2 LEU A 92 8.463 19.130 -0.021 1.00 70.31 H new ATOM 0 HB3 LEU A 92 9.596 19.027 1.312 1.00 70.31 H new ATOM 0 HG LEU A 92 8.145 17.284 2.382 1.00 75.14 H new ATOM 0 HD11 LEU A 92 6.406 16.137 1.060 1.00 52.43 H new ATOM 0 HD12 LEU A 92 5.980 17.828 1.416 1.00 52.43 H new ATOM 0 HD13 LEU A 92 6.560 17.379 -0.205 1.00 52.43 H new ATOM 0 HD21 LEU A 92 8.766 15.446 0.799 1.00 44.43 H new ATOM 0 HD22 LEU A 92 9.085 16.660 -0.463 1.00 44.43 H new ATOM 0 HD23 LEU A 92 10.088 16.619 1.007 1.00 44.43 H new ATOM 1523 N GLU A 93 8.158 22.154 0.582 1.00 60.13 N ATOM 1524 CA GLU A 93 8.813 23.419 0.218 1.00 43.21 C ATOM 1525 C GLU A 93 8.290 24.588 1.074 1.00 33.44 C ATOM 1526 O GLU A 93 8.845 25.693 1.015 1.00 31.21 O ATOM 1527 CB GLU A 93 8.615 23.738 -1.292 1.00 70.24 C ATOM 1528 CG GLU A 93 8.912 22.569 -2.274 1.00 44.51 C ATOM 1529 CD GLU A 93 7.753 21.559 -2.405 1.00 12.42 C ATOM 1530 OE1 GLU A 93 6.762 21.874 -3.092 1.00 73.01 O ATOM 1531 OE2 GLU A 93 7.824 20.456 -1.831 1.00 55.45 O ATOM 0 H GLU A 93 7.403 21.891 -0.052 1.00 60.13 H new ATOM 0 HA GLU A 93 9.879 23.298 0.413 1.00 43.21 H new ATOM 0 HB2 GLU A 93 7.586 24.063 -1.444 1.00 70.24 H new ATOM 0 HB3 GLU A 93 9.256 24.580 -1.554 1.00 70.24 H new ATOM 0 HG2 GLU A 93 9.136 22.981 -3.258 1.00 44.51 H new ATOM 0 HG3 GLU A 93 9.805 22.042 -1.938 1.00 44.51 H new ATOM 1538 N HIS A 94 7.201 24.346 1.850 1.00 24.24 N ATOM 1539 CA HIS A 94 6.738 25.297 2.885 1.00 51.52 C ATOM 1540 C HIS A 94 7.837 25.423 3.956 1.00 62.44 C ATOM 1541 O HIS A 94 8.038 26.495 4.539 1.00 74.13 O ATOM 1542 CB HIS A 94 5.381 24.857 3.501 1.00 71.05 C ATOM 1543 CG HIS A 94 4.798 25.829 4.512 1.00 51.21 C ATOM 1544 ND1 HIS A 94 3.852 26.780 4.187 1.00 12.13 N ATOM 1545 CD2 HIS A 94 5.029 25.989 5.846 1.00 22.22 C ATOM 1546 CE1 HIS A 94 3.539 27.476 5.263 1.00 53.43 C ATOM 1547 NE2 HIS A 94 4.233 27.012 6.279 1.00 72.11 N ATOM 0 H HIS A 94 6.632 23.503 1.776 1.00 24.24 H new ATOM 0 HA HIS A 94 6.561 26.272 2.431 1.00 51.52 H new ATOM 0 HB2 HIS A 94 4.660 24.716 2.695 1.00 71.05 H new ATOM 0 HB3 HIS A 94 5.513 23.888 3.983 1.00 71.05 H new ATOM 0 HD2 HIS A 94 5.715 25.413 6.450 1.00 22.22 H new ATOM 0 HE1 HIS A 94 2.831 28.291 5.303 1.00 53.43 H new ATOM 0 HE2 HIS A 94 4.185 27.360 7.237 1.00 72.11 H new ATOM 1556 N HIS A 95 8.554 24.307 4.191 1.00 41.34 N ATOM 1557 CA HIS A 95 9.854 24.331 4.869 1.00 20.25 C ATOM 1558 C HIS A 95 10.908 24.861 3.870 1.00 23.12 C ATOM 1559 O HIS A 95 11.645 24.085 3.246 1.00 71.43 O ATOM 1560 CB HIS A 95 10.263 22.926 5.394 1.00 60.23 C ATOM 1561 CG HIS A 95 9.336 22.313 6.414 1.00 2.22 C ATOM 1562 ND1 HIS A 95 8.711 21.097 6.228 1.00 3.33 N ATOM 1563 CD2 HIS A 95 9.001 22.710 7.668 1.00 11.43 C ATOM 1564 CE1 HIS A 95 8.041 20.776 7.316 1.00 51.43 C ATOM 1565 NE2 HIS A 95 8.200 21.735 8.202 1.00 1.31 N ATOM 0 H HIS A 95 8.247 23.374 3.917 1.00 41.34 H new ATOM 0 HA HIS A 95 9.788 24.983 5.740 1.00 20.25 H new ATOM 0 HB2 HIS A 95 10.337 22.248 4.544 1.00 60.23 H new ATOM 0 HB3 HIS A 95 11.259 22.998 5.832 1.00 60.23 H new ATOM 0 HD2 HIS A 95 9.308 23.624 8.154 1.00 11.43 H new ATOM 0 HE1 HIS A 95 7.459 19.877 7.457 1.00 51.43 H new ATOM 0 HE2 HIS A 95 7.792 21.750 9.137 1.00 1.31 H new ATOM 1574 N HIS A 96 10.914 26.188 3.660 1.00 1.45 N ATOM 1575 CA HIS A 96 11.848 26.846 2.736 1.00 63.51 C ATOM 1576 C HIS A 96 13.090 27.276 3.533 1.00 42.43 C ATOM 1577 O HIS A 96 13.242 28.443 3.909 1.00 62.31 O ATOM 1578 CB HIS A 96 11.155 28.041 2.021 1.00 23.32 C ATOM 1579 CG HIS A 96 11.924 28.607 0.853 1.00 44.02 C ATOM 1580 ND1 HIS A 96 12.223 29.947 0.712 1.00 44.30 N ATOM 1581 CD2 HIS A 96 12.420 28.001 -0.257 1.00 64.45 C ATOM 1582 CE1 HIS A 96 12.862 30.135 -0.425 1.00 54.24 C ATOM 1583 NE2 HIS A 96 12.998 28.974 -1.030 1.00 11.20 N ATOM 0 H HIS A 96 10.273 26.831 4.125 1.00 1.45 H new ATOM 0 HA HIS A 96 12.160 26.159 1.949 1.00 63.51 H new ATOM 0 HB2 HIS A 96 10.174 27.719 1.671 1.00 23.32 H new ATOM 0 HB3 HIS A 96 10.989 28.835 2.749 1.00 23.32 H new ATOM 0 HD2 HIS A 96 12.368 26.947 -0.488 1.00 64.45 H new ATOM 0 HE1 HIS A 96 13.216 31.085 -0.799 1.00 54.24 H new ATOM 0 HE2 HIS A 96 13.458 28.823 -1.928 1.00 11.20 H new ATOM 1592 N HIS A 97 13.933 26.282 3.845 1.00 21.40 N ATOM 1593 CA HIS A 97 15.149 26.445 4.666 1.00 53.13 C ATOM 1594 C HIS A 97 16.372 26.579 3.754 1.00 71.21 C ATOM 1595 O HIS A 97 16.469 25.881 2.736 1.00 14.10 O ATOM 1596 CB HIS A 97 15.290 25.213 5.594 1.00 42.54 C ATOM 1597 CG HIS A 97 16.448 25.238 6.564 1.00 33.40 C ATOM 1598 ND1 HIS A 97 17.568 24.447 6.430 1.00 33.44 N ATOM 1599 CD2 HIS A 97 16.610 25.900 7.732 1.00 1.50 C ATOM 1600 CE1 HIS A 97 18.354 24.620 7.467 1.00 70.22 C ATOM 1601 NE2 HIS A 97 17.800 25.498 8.273 1.00 75.33 N ATOM 0 H HIS A 97 13.789 25.323 3.530 1.00 21.40 H new ATOM 0 HA HIS A 97 15.076 27.346 5.275 1.00 53.13 H new ATOM 0 HB2 HIS A 97 14.367 25.106 6.165 1.00 42.54 H new ATOM 0 HB3 HIS A 97 15.384 24.324 4.971 1.00 42.54 H new ATOM 0 HD2 HIS A 97 15.924 26.616 8.160 1.00 1.50 H new ATOM 0 HE1 HIS A 97 19.299 24.123 7.631 1.00 70.22 H new ATOM 0 HE2 HIS A 97 18.193 25.825 9.156 1.00 75.33 H new ATOM 1610 N HIS A 98 17.295 27.489 4.118 1.00 5.40 N ATOM 1611 CA HIS A 98 18.549 27.692 3.369 1.00 43.11 C ATOM 1612 C HIS A 98 19.489 26.488 3.557 1.00 50.44 C ATOM 1613 O HIS A 98 19.557 25.900 4.642 1.00 11.32 O ATOM 1614 CB HIS A 98 19.263 29.000 3.802 1.00 43.41 C ATOM 1615 CG HIS A 98 18.521 30.259 3.440 1.00 15.11 C ATOM 1616 ND1 HIS A 98 18.878 31.082 2.390 1.00 30.44 N ATOM 1617 CD2 HIS A 98 17.439 30.836 4.005 1.00 53.22 C ATOM 1618 CE1 HIS A 98 18.045 32.102 2.340 1.00 21.31 C ATOM 1619 NE2 HIS A 98 17.166 31.975 3.304 1.00 43.41 N ATOM 0 H HIS A 98 17.195 28.098 4.930 1.00 5.40 H new ATOM 0 HA HIS A 98 18.293 27.782 2.313 1.00 43.11 H new ATOM 0 HB2 HIS A 98 19.413 28.978 4.881 1.00 43.41 H new ATOM 0 HB3 HIS A 98 20.251 29.030 3.343 1.00 43.41 H new ATOM 0 HD2 HIS A 98 16.889 30.464 4.857 1.00 53.22 H new ATOM 0 HE1 HIS A 98 18.081 32.909 1.623 1.00 21.31 H new ATOM 0 HE2 HIS A 98 16.402 32.622 3.499 1.00 43.41 H new ATOM 1628 N HIS A 99 20.213 26.151 2.483 1.00 14.14 N ATOM 1629 CA HIS A 99 21.140 25.011 2.434 1.00 71.40 C ATOM 1630 C HIS A 99 22.262 25.317 1.412 1.00 72.32 C ATOM 1631 O HIS A 99 21.953 25.548 0.229 1.00 22.40 O ATOM 1632 CB HIS A 99 20.379 23.685 2.112 1.00 53.01 C ATOM 1633 CG HIS A 99 19.411 23.760 0.953 1.00 34.00 C ATOM 1634 ND1 HIS A 99 18.113 24.204 1.094 1.00 31.10 N ATOM 1635 CD2 HIS A 99 19.543 23.431 -0.354 1.00 63.42 C ATOM 1636 CE1 HIS A 99 17.499 24.145 -0.069 1.00 20.04 C ATOM 1637 NE2 HIS A 99 18.343 23.679 -0.965 1.00 34.13 N ATOM 1638 OXT HIS A 99 23.445 25.364 1.804 1.00 37.28 O ATOM 0 H HIS A 99 20.171 26.672 1.607 1.00 14.14 H new ATOM 0 HA HIS A 99 21.601 24.865 3.411 1.00 71.40 H new ATOM 0 HB2 HIS A 99 21.112 22.907 1.901 1.00 53.01 H new ATOM 0 HB3 HIS A 99 19.831 23.375 3.002 1.00 53.01 H new ATOM 0 HD1 HIS A 99 17.693 24.528 1.965 1.00 31.10 H new ATOM 0 HD2 HIS A 99 20.433 23.044 -0.828 1.00 63.42 H new ATOM 0 HE1 HIS A 99 16.475 24.431 -0.256 1.00 20.04 H new TER 1647 HIS A 99