USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 975 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 103 MET CE :methyl 168:sc= -0.383 (180deg=-0.647) USER MOD Set 1.2: A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.226 X(o=-0.23,f=-0.26) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -157:sc= 0.457 (180deg=0.254) USER MOD Single : A 23 TYR OH : rot 150:sc= -0.825 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.245 X(o=-0.24,f=-0.14) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.193) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.467 X(o=-0.47,f=-0.029) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -114:sc= -4.36 (180deg=-11!) USER MOD Single : A 44 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.19) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -2.87 K(o=-2.9,f=-8!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.148) USER MOD Single : A 73 SER OG : rot -80:sc= 0.748 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 152:sc= -0.0899 (180deg=-1.05) USER MOD Single : A 88 HIS : no HD1:sc= -0.125 X(o=-0.12,f=0) USER MOD Single : A 95 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.033) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0232 X(o=-0.023,f=-0.015) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 164:sc= -0.12 (180deg=-0.488) USER MOD Single : A 106 THR OG1 : rot -66:sc= 0.448 USER MOD Single : A 108 LYS NZ :NH3+ -124:sc= -0.409 (180deg=-2.19!) USER MOD Single : A 111 LYS NZ :NH3+ 154:sc= -0.192 (180deg=-1.16) USER MOD Single : A 112 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00698) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -3.94! C(o=-3.9!,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 3.006 -0.529 1.827 1.00 14.10 N ATOM 2 CA SER A 3 3.592 -0.353 0.503 1.00 32.34 C ATOM 3 C SER A 3 2.686 -0.941 -0.574 1.00 71.13 C ATOM 4 O SER A 3 2.228 -2.077 -0.463 1.00 72.44 O ATOM 5 CB SER A 3 4.971 -1.013 0.442 1.00 50.33 C ATOM 6 OG SER A 3 5.983 -0.119 0.872 1.00 21.34 O ATOM 0 HA SER A 3 3.700 0.716 0.319 1.00 32.34 H new ATOM 0 HB2 SER A 3 4.979 -1.905 1.069 1.00 50.33 H new ATOM 0 HB3 SER A 3 5.177 -1.338 -0.578 1.00 50.33 H new ATOM 0 HG SER A 3 6.855 -0.565 0.825 1.00 21.34 H new ATOM 12 N ASN A 4 2.432 -0.157 -1.617 1.00 61.32 N ATOM 13 CA ASN A 4 1.580 -0.599 -2.716 1.00 4.32 C ATOM 14 C ASN A 4 2.343 -1.526 -3.657 1.00 24.23 C ATOM 15 O ASN A 4 1.770 -2.448 -4.236 1.00 32.23 O ATOM 16 CB ASN A 4 1.047 0.607 -3.492 1.00 4.42 C ATOM 17 CG ASN A 4 2.120 1.276 -4.330 1.00 23.15 C ATOM 18 OD1 ASN A 4 2.886 2.102 -3.833 1.00 42.21 O ATOM 19 ND2 ASN A 4 2.180 0.921 -5.608 1.00 32.43 N ATOM 0 H ASN A 4 2.804 0.787 -1.724 1.00 61.32 H new ATOM 0 HA ASN A 4 0.741 -1.151 -2.293 1.00 4.32 H new ATOM 0 HB2 ASN A 4 0.231 0.287 -4.140 1.00 4.42 H new ATOM 0 HB3 ASN A 4 0.632 1.332 -2.792 1.00 4.42 H new ATOM 0 HD21 ASN A 4 2.881 1.337 -6.221 1.00 32.43 H new ATOM 0 HD22 ASN A 4 1.525 0.232 -5.977 1.00 32.43 H new ATOM 26 N ALA A 5 3.640 -1.275 -3.803 1.00 62.13 N ATOM 27 CA ALA A 5 4.482 -2.089 -4.671 1.00 44.32 C ATOM 28 C ALA A 5 5.385 -3.008 -3.855 1.00 42.15 C ATOM 29 O ALA A 5 6.341 -3.579 -4.378 1.00 61.14 O ATOM 30 CB ALA A 5 5.316 -1.200 -5.582 1.00 50.41 C ATOM 0 H ALA A 5 4.130 -0.515 -3.332 1.00 62.13 H new ATOM 0 HA ALA A 5 3.832 -2.713 -5.285 1.00 44.32 H new ATOM 0 HB1 ALA A 5 5.940 -1.821 -6.225 1.00 50.41 H new ATOM 0 HB2 ALA A 5 4.656 -0.589 -6.198 1.00 50.41 H new ATOM 0 HB3 ALA A 5 5.950 -0.552 -4.977 1.00 50.41 H new ATOM 36 N GLY A 6 5.076 -3.145 -2.570 1.00 35.53 N ATOM 37 CA GLY A 6 5.869 -3.996 -1.702 1.00 65.03 C ATOM 38 C GLY A 6 5.888 -5.439 -2.165 1.00 32.54 C ATOM 39 O GLY A 6 6.835 -6.175 -1.887 1.00 74.03 O ATOM 0 H GLY A 6 4.290 -2.682 -2.114 1.00 35.53 H new ATOM 0 HA2 GLY A 6 6.890 -3.617 -1.661 1.00 65.03 H new ATOM 0 HA3 GLY A 6 5.471 -3.948 -0.689 1.00 65.03 H new ATOM 43 N ALA A 7 4.838 -5.847 -2.870 1.00 52.43 N ATOM 44 CA ALA A 7 4.737 -7.211 -3.372 1.00 63.40 C ATOM 45 C ALA A 7 5.800 -7.487 -4.431 1.00 14.22 C ATOM 46 O ALA A 7 6.401 -8.561 -4.455 1.00 4.22 O ATOM 47 CB ALA A 7 3.348 -7.465 -3.938 1.00 13.25 C ATOM 0 H ALA A 7 4.045 -5.251 -3.106 1.00 52.43 H new ATOM 0 HA ALA A 7 4.907 -7.891 -2.538 1.00 63.40 H new ATOM 0 HB1 ALA A 7 3.288 -8.488 -4.309 1.00 13.25 H new ATOM 0 HB2 ALA A 7 2.604 -7.319 -3.155 1.00 13.25 H new ATOM 0 HB3 ALA A 7 3.156 -6.770 -4.756 1.00 13.25 H new ATOM 53 N ILE A 8 6.024 -6.511 -5.304 1.00 65.23 N ATOM 54 CA ILE A 8 7.015 -6.649 -6.365 1.00 33.31 C ATOM 55 C ILE A 8 8.432 -6.540 -5.812 1.00 34.42 C ATOM 56 O ILE A 8 9.347 -7.213 -6.285 1.00 31.10 O ATOM 57 CB ILE A 8 6.820 -5.584 -7.460 1.00 13.45 C ATOM 58 CG1 ILE A 8 5.408 -5.672 -8.042 1.00 54.10 C ATOM 59 CG2 ILE A 8 7.862 -5.753 -8.555 1.00 11.41 C ATOM 60 CD1 ILE A 8 4.413 -4.760 -7.357 1.00 64.52 C ATOM 0 H ILE A 8 5.533 -5.617 -5.298 1.00 65.23 H new ATOM 0 HA ILE A 8 6.873 -7.638 -6.802 1.00 33.31 H new ATOM 0 HB ILE A 8 6.948 -4.598 -7.014 1.00 13.45 H new ATOM 0 HG12 ILE A 8 5.445 -5.424 -9.103 1.00 54.10 H new ATOM 0 HG13 ILE A 8 5.057 -6.701 -7.967 1.00 54.10 H new ATOM 0 HG21 ILE A 8 7.711 -4.993 -9.322 1.00 11.41 H new ATOM 0 HG22 ILE A 8 8.859 -5.645 -8.128 1.00 11.41 H new ATOM 0 HG23 ILE A 8 7.764 -6.743 -9.001 1.00 11.41 H new ATOM 0 HD11 ILE A 8 3.434 -4.875 -7.822 1.00 64.52 H new ATOM 0 HD12 ILE A 8 4.347 -5.022 -6.301 1.00 64.52 H new ATOM 0 HD13 ILE A 8 4.741 -3.725 -7.454 1.00 64.52 H new ATOM 72 N ALA A 9 8.604 -5.690 -4.805 1.00 43.35 N ATOM 73 CA ALA A 9 9.909 -5.495 -4.185 1.00 33.43 C ATOM 74 C ALA A 9 10.335 -6.734 -3.404 1.00 62.02 C ATOM 75 O ALA A 9 11.525 -7.031 -3.292 1.00 12.24 O ATOM 76 CB ALA A 9 9.883 -4.278 -3.273 1.00 1.50 C ATOM 0 H ALA A 9 7.856 -5.126 -4.401 1.00 43.35 H new ATOM 0 HA ALA A 9 10.639 -5.327 -4.977 1.00 33.43 H new ATOM 0 HB1 ALA A 9 10.864 -4.144 -2.817 1.00 1.50 H new ATOM 0 HB2 ALA A 9 9.630 -3.392 -3.856 1.00 1.50 H new ATOM 0 HB3 ALA A 9 9.137 -4.424 -2.492 1.00 1.50 H new ATOM 82 N LYS A 10 9.357 -7.454 -2.866 1.00 30.22 N ATOM 83 CA LYS A 10 9.630 -8.662 -2.096 1.00 0.23 C ATOM 84 C LYS A 10 10.164 -9.772 -2.995 1.00 41.34 C ATOM 85 O LYS A 10 10.709 -10.766 -2.515 1.00 23.22 O ATOM 86 CB LYS A 10 8.361 -9.135 -1.383 1.00 40.20 C ATOM 87 CG LYS A 10 8.589 -10.316 -0.456 1.00 14.04 C ATOM 88 CD LYS A 10 7.530 -10.383 0.632 1.00 1.45 C ATOM 89 CE LYS A 10 7.593 -11.700 1.391 1.00 13.50 C ATOM 90 NZ LYS A 10 6.309 -12.003 2.083 1.00 43.32 N ATOM 0 H LYS A 10 8.367 -7.222 -2.949 1.00 30.22 H new ATOM 0 HA LYS A 10 10.390 -8.424 -1.352 1.00 0.23 H new ATOM 0 HB2 LYS A 10 7.947 -8.307 -0.808 1.00 40.20 H new ATOM 0 HB3 LYS A 10 7.615 -9.408 -2.129 1.00 40.20 H new ATOM 0 HG2 LYS A 10 8.578 -11.240 -1.033 1.00 14.04 H new ATOM 0 HG3 LYS A 10 9.576 -10.237 -0.000 1.00 14.04 H new ATOM 0 HD2 LYS A 10 7.668 -9.555 1.327 1.00 1.45 H new ATOM 0 HD3 LYS A 10 6.542 -10.265 0.187 1.00 1.45 H new ATOM 0 HE2 LYS A 10 7.832 -12.507 0.699 1.00 13.50 H new ATOM 0 HE3 LYS A 10 8.399 -11.659 2.123 1.00 13.50 H new ATOM 0 HZ1 LYS A 10 6.392 -12.908 2.589 1.00 43.32 H new ATOM 0 HZ2 LYS A 10 6.094 -11.245 2.762 1.00 43.32 H new ATOM 0 HZ3 LYS A 10 5.544 -12.067 1.382 1.00 43.32 H new ATOM 104 N LEU A 11 10.006 -9.595 -4.302 1.00 73.15 N ATOM 105 CA LEU A 11 10.474 -10.581 -5.270 1.00 73.51 C ATOM 106 C LEU A 11 11.971 -10.433 -5.518 1.00 24.33 C ATOM 107 O LEU A 11 12.639 -11.382 -5.932 1.00 13.30 O ATOM 108 CB LEU A 11 9.710 -10.435 -6.588 1.00 3.55 C ATOM 109 CG LEU A 11 8.224 -10.095 -6.468 1.00 21.40 C ATOM 110 CD1 LEU A 11 7.608 -9.901 -7.845 1.00 25.21 C ATOM 111 CD2 LEU A 11 7.488 -11.185 -5.702 1.00 25.13 C ATOM 0 H LEU A 11 9.557 -8.778 -4.716 1.00 73.15 H new ATOM 0 HA LEU A 11 10.289 -11.573 -4.858 1.00 73.51 H new ATOM 0 HB2 LEU A 11 10.193 -9.658 -7.181 1.00 3.55 H new ATOM 0 HB3 LEU A 11 9.805 -11.367 -7.145 1.00 3.55 H new ATOM 0 HG LEU A 11 8.128 -9.161 -5.914 1.00 21.40 H new ATOM 0 HD11 LEU A 11 6.550 -9.660 -7.740 1.00 25.21 H new ATOM 0 HD12 LEU A 11 8.117 -9.086 -8.360 1.00 25.21 H new ATOM 0 HD13 LEU A 11 7.715 -10.818 -8.424 1.00 25.21 H new ATOM 0 HD21 LEU A 11 6.432 -10.927 -5.626 1.00 25.13 H new ATOM 0 HD22 LEU A 11 7.593 -12.134 -6.229 1.00 25.13 H new ATOM 0 HD23 LEU A 11 7.912 -11.276 -4.702 1.00 25.13 H new ATOM 123 N ILE A 12 12.493 -9.239 -5.259 1.00 42.14 N ATOM 124 CA ILE A 12 13.913 -8.968 -5.451 1.00 75.21 C ATOM 125 C ILE A 12 14.771 -9.965 -4.680 1.00 43.02 C ATOM 126 O ILE A 12 15.606 -10.671 -5.246 1.00 44.22 O ATOM 127 CB ILE A 12 14.279 -7.540 -5.006 1.00 35.14 C ATOM 128 CG1 ILE A 12 14.085 -6.557 -6.162 1.00 3.54 C ATOM 129 CG2 ILE A 12 15.712 -7.495 -4.498 1.00 41.42 C ATOM 130 CD1 ILE A 12 15.043 -6.779 -7.311 1.00 70.40 C ATOM 0 H ILE A 12 11.954 -8.444 -4.916 1.00 42.14 H new ATOM 0 HA ILE A 12 14.113 -9.069 -6.518 1.00 75.21 H new ATOM 0 HB ILE A 12 13.617 -7.247 -4.191 1.00 35.14 H new ATOM 0 HG12 ILE A 12 13.063 -6.640 -6.531 1.00 3.54 H new ATOM 0 HG13 ILE A 12 14.208 -5.540 -5.788 1.00 3.54 H new ATOM 0 HG21 ILE A 12 15.956 -6.479 -4.187 1.00 41.42 H new ATOM 0 HG22 ILE A 12 15.818 -8.170 -3.649 1.00 41.42 H new ATOM 0 HG23 ILE A 12 16.390 -7.804 -5.294 1.00 41.42 H new ATOM 0 HD11 ILE A 12 14.848 -6.047 -8.094 1.00 70.40 H new ATOM 0 HD12 ILE A 12 16.068 -6.667 -6.957 1.00 70.40 H new ATOM 0 HD13 ILE A 12 14.905 -7.783 -7.711 1.00 70.40 H new ATOM 142 N PRO A 13 14.562 -10.027 -3.357 1.00 32.21 N ATOM 143 CA PRO A 13 15.305 -10.936 -2.480 1.00 25.15 C ATOM 144 C PRO A 13 14.931 -12.397 -2.706 1.00 54.34 C ATOM 145 O PRO A 13 15.722 -13.301 -2.438 1.00 43.32 O ATOM 146 CB PRO A 13 14.892 -10.490 -1.075 1.00 25.13 C ATOM 147 CG PRO A 13 13.556 -9.857 -1.256 1.00 30.43 C ATOM 148 CD PRO A 13 13.582 -9.215 -2.615 1.00 65.32 C ATOM 0 HA PRO A 13 16.379 -10.887 -2.660 1.00 25.15 H new ATOM 0 HB2 PRO A 13 14.839 -11.337 -0.390 1.00 25.13 H new ATOM 0 HB3 PRO A 13 15.610 -9.785 -0.656 1.00 25.13 H new ATOM 0 HG2 PRO A 13 12.761 -10.599 -1.190 1.00 30.43 H new ATOM 0 HG3 PRO A 13 13.366 -9.117 -0.479 1.00 30.43 H new ATOM 0 HD2 PRO A 13 12.601 -9.237 -3.089 1.00 65.32 H new ATOM 0 HD3 PRO A 13 13.886 -8.170 -2.560 1.00 65.32 H new ATOM 156 N LYS A 14 13.719 -12.621 -3.203 1.00 33.45 N ATOM 157 CA LYS A 14 13.238 -13.972 -3.468 1.00 24.33 C ATOM 158 C LYS A 14 14.214 -14.731 -4.362 1.00 53.33 C ATOM 159 O LYS A 14 14.639 -15.839 -4.035 1.00 31.42 O ATOM 160 CB LYS A 14 11.858 -13.925 -4.126 1.00 15.23 C ATOM 161 CG LYS A 14 10.718 -14.245 -3.173 1.00 45.42 C ATOM 162 CD LYS A 14 9.450 -14.613 -3.924 1.00 62.44 C ATOM 163 CE LYS A 14 9.277 -16.122 -4.019 1.00 42.40 C ATOM 164 NZ LYS A 14 7.847 -16.507 -4.170 1.00 72.35 N ATOM 0 H LYS A 14 13.052 -11.884 -3.430 1.00 33.45 H new ATOM 0 HA LYS A 14 13.161 -14.497 -2.516 1.00 24.33 H new ATOM 0 HB2 LYS A 14 11.700 -12.933 -4.548 1.00 15.23 H new ATOM 0 HB3 LYS A 14 11.836 -14.632 -4.956 1.00 15.23 H new ATOM 0 HG2 LYS A 14 11.008 -15.069 -2.521 1.00 45.42 H new ATOM 0 HG3 LYS A 14 10.526 -13.384 -2.532 1.00 45.42 H new ATOM 0 HD2 LYS A 14 8.587 -14.178 -3.419 1.00 62.44 H new ATOM 0 HD3 LYS A 14 9.482 -14.185 -4.926 1.00 62.44 H new ATOM 0 HE2 LYS A 14 9.847 -16.500 -4.868 1.00 42.40 H new ATOM 0 HE3 LYS A 14 9.687 -16.592 -3.125 1.00 42.40 H new ATOM 0 HZ1 LYS A 14 7.716 -17.487 -3.848 1.00 72.35 H new ATOM 0 HZ2 LYS A 14 7.254 -15.872 -3.598 1.00 72.35 H new ATOM 0 HZ3 LYS A 14 7.571 -16.431 -5.170 1.00 72.35 H new ATOM 178 N LEU A 15 14.566 -14.126 -5.492 1.00 35.42 N ATOM 179 CA LEU A 15 15.493 -14.744 -6.433 1.00 73.34 C ATOM 180 C LEU A 15 16.892 -14.844 -5.834 1.00 51.42 C ATOM 181 O LEU A 15 17.686 -15.698 -6.224 1.00 61.33 O ATOM 182 CB LEU A 15 15.539 -13.942 -7.735 1.00 74.21 C ATOM 183 CG LEU A 15 14.238 -13.890 -8.538 1.00 1.04 C ATOM 184 CD1 LEU A 15 14.094 -12.545 -9.233 1.00 73.43 C ATOM 185 CD2 LEU A 15 14.191 -15.025 -9.551 1.00 13.53 C ATOM 0 H LEU A 15 14.223 -13.209 -5.778 1.00 35.42 H new ATOM 0 HA LEU A 15 15.137 -15.752 -6.647 1.00 73.34 H new ATOM 0 HB2 LEU A 15 15.838 -12.921 -7.499 1.00 74.21 H new ATOM 0 HB3 LEU A 15 16.318 -14.363 -8.370 1.00 74.21 H new ATOM 0 HG LEU A 15 13.402 -14.011 -7.849 1.00 1.04 H new ATOM 0 HD11 LEU A 15 13.163 -12.526 -9.799 1.00 73.43 H new ATOM 0 HD12 LEU A 15 14.082 -11.750 -8.488 1.00 73.43 H new ATOM 0 HD13 LEU A 15 14.934 -12.394 -9.911 1.00 73.43 H new ATOM 0 HD21 LEU A 15 13.259 -14.973 -10.113 1.00 13.53 H new ATOM 0 HD22 LEU A 15 15.034 -14.936 -10.237 1.00 13.53 H new ATOM 0 HD23 LEU A 15 14.247 -15.981 -9.030 1.00 13.53 H new ATOM 197 N GLY A 16 17.186 -13.964 -4.882 1.00 1.24 N ATOM 198 CA GLY A 16 18.489 -13.971 -4.242 1.00 52.32 C ATOM 199 C GLY A 16 18.743 -15.242 -3.457 1.00 72.55 C ATOM 200 O GLY A 16 19.892 -15.628 -3.244 1.00 13.35 O ATOM 0 H GLY A 16 16.546 -13.246 -4.542 1.00 1.24 H new ATOM 0 HA2 GLY A 16 19.263 -13.855 -5.000 1.00 52.32 H new ATOM 0 HA3 GLY A 16 18.567 -13.113 -3.574 1.00 52.32 H new ATOM 204 N GLU A 17 17.668 -15.895 -3.026 1.00 53.23 N ATOM 205 CA GLU A 17 17.781 -17.129 -2.258 1.00 71.24 C ATOM 206 C GLU A 17 18.537 -18.194 -3.048 1.00 2.30 C ATOM 207 O GLU A 17 19.249 -19.019 -2.475 1.00 22.43 O ATOM 208 CB GLU A 17 16.393 -17.650 -1.880 1.00 13.42 C ATOM 209 CG GLU A 17 16.415 -19.014 -1.213 1.00 24.55 C ATOM 210 CD GLU A 17 15.165 -19.287 -0.398 1.00 45.33 C ATOM 211 OE1 GLU A 17 15.139 -18.907 0.791 1.00 14.31 O ATOM 212 OE2 GLU A 17 14.215 -19.879 -0.950 1.00 32.43 O ATOM 0 H GLU A 17 16.710 -15.590 -3.196 1.00 53.23 H new ATOM 0 HA GLU A 17 18.340 -16.910 -1.348 1.00 71.24 H new ATOM 0 HB2 GLU A 17 15.916 -16.935 -1.210 1.00 13.42 H new ATOM 0 HB3 GLU A 17 15.778 -17.704 -2.778 1.00 13.42 H new ATOM 0 HG2 GLU A 17 16.522 -19.785 -1.976 1.00 24.55 H new ATOM 0 HG3 GLU A 17 17.289 -19.083 -0.565 1.00 24.55 H new ATOM 219 N LEU A 18 18.377 -18.169 -4.366 1.00 44.35 N ATOM 220 CA LEU A 18 19.044 -19.131 -5.236 1.00 62.44 C ATOM 221 C LEU A 18 20.413 -18.616 -5.670 1.00 71.53 C ATOM 222 O LEU A 18 21.225 -19.365 -6.215 1.00 45.33 O ATOM 223 CB LEU A 18 18.182 -19.420 -6.466 1.00 53.24 C ATOM 224 CG LEU A 18 17.262 -20.638 -6.371 1.00 3.22 C ATOM 225 CD1 LEU A 18 18.075 -21.923 -6.395 1.00 33.20 C ATOM 226 CD2 LEU A 18 16.411 -20.566 -5.111 1.00 64.12 C ATOM 0 H LEU A 18 17.791 -17.493 -4.856 1.00 44.35 H new ATOM 0 HA LEU A 18 19.185 -20.054 -4.674 1.00 62.44 H new ATOM 0 HB2 LEU A 18 17.569 -18.542 -6.669 1.00 53.24 H new ATOM 0 HB3 LEU A 18 18.841 -19.554 -7.323 1.00 53.24 H new ATOM 0 HG LEU A 18 16.597 -20.637 -7.235 1.00 3.22 H new ATOM 0 HD11 LEU A 18 17.404 -22.779 -6.327 1.00 33.20 H new ATOM 0 HD12 LEU A 18 18.640 -21.978 -7.325 1.00 33.20 H new ATOM 0 HD13 LEU A 18 18.764 -21.933 -5.550 1.00 33.20 H new ATOM 0 HD21 LEU A 18 15.762 -21.441 -5.060 1.00 64.12 H new ATOM 0 HD22 LEU A 18 17.059 -20.543 -4.235 1.00 64.12 H new ATOM 0 HD23 LEU A 18 15.801 -19.663 -5.135 1.00 64.12 H new ATOM 238 N LEU A 19 20.663 -17.335 -5.423 1.00 74.34 N ATOM 239 CA LEU A 19 21.934 -16.720 -5.786 1.00 45.04 C ATOM 240 C LEU A 19 22.950 -16.863 -4.658 1.00 3.25 C ATOM 241 O LEU A 19 24.149 -16.666 -4.858 1.00 12.40 O ATOM 242 CB LEU A 19 21.731 -15.241 -6.121 1.00 21.23 C ATOM 243 CG LEU A 19 21.553 -14.906 -7.602 1.00 33.21 C ATOM 244 CD1 LEU A 19 22.862 -15.092 -8.353 1.00 21.43 C ATOM 245 CD2 LEU A 19 20.457 -15.766 -8.215 1.00 63.30 C ATOM 0 H LEU A 19 20.002 -16.702 -4.973 1.00 74.34 H new ATOM 0 HA LEU A 19 22.320 -17.235 -6.665 1.00 45.04 H new ATOM 0 HB2 LEU A 19 20.854 -14.884 -5.581 1.00 21.23 H new ATOM 0 HB3 LEU A 19 22.588 -14.683 -5.743 1.00 21.23 H new ATOM 0 HG LEU A 19 21.256 -13.860 -7.685 1.00 33.21 H new ATOM 0 HD11 LEU A 19 22.715 -14.849 -9.405 1.00 21.43 H new ATOM 0 HD12 LEU A 19 23.621 -14.433 -7.931 1.00 21.43 H new ATOM 0 HD13 LEU A 19 23.190 -16.128 -8.262 1.00 21.43 H new ATOM 0 HD21 LEU A 19 20.344 -15.514 -9.269 1.00 63.30 H new ATOM 0 HD22 LEU A 19 20.724 -16.818 -8.120 1.00 63.30 H new ATOM 0 HD23 LEU A 19 19.517 -15.582 -7.695 1.00 63.30 H new ATOM 257 N VAL A 20 22.463 -17.209 -3.470 1.00 61.22 N ATOM 258 CA VAL A 20 23.329 -17.382 -2.310 1.00 34.23 C ATOM 259 C VAL A 20 24.020 -18.741 -2.337 1.00 52.22 C ATOM 260 O VAL A 20 25.092 -18.915 -1.760 1.00 20.31 O ATOM 261 CB VAL A 20 22.538 -17.247 -0.995 1.00 32.42 C ATOM 262 CG1 VAL A 20 21.809 -15.913 -0.944 1.00 72.33 C ATOM 263 CG2 VAL A 20 21.562 -18.404 -0.840 1.00 12.24 C ATOM 0 H VAL A 20 21.474 -17.375 -3.286 1.00 61.22 H new ATOM 0 HA VAL A 20 24.081 -16.595 -2.356 1.00 34.23 H new ATOM 0 HB VAL A 20 23.241 -17.281 -0.163 1.00 32.42 H new ATOM 0 HG11 VAL A 20 21.256 -15.836 -0.008 1.00 72.33 H new ATOM 0 HG12 VAL A 20 22.533 -15.100 -1.006 1.00 72.33 H new ATOM 0 HG13 VAL A 20 21.115 -15.845 -1.782 1.00 72.33 H new ATOM 0 HG21 VAL A 20 21.011 -18.293 0.094 1.00 12.24 H new ATOM 0 HG22 VAL A 20 20.862 -18.404 -1.676 1.00 12.24 H new ATOM 0 HG23 VAL A 20 22.112 -19.345 -0.827 1.00 12.24 H new ATOM 273 N GLY A 21 23.398 -19.702 -3.014 1.00 14.24 N ATOM 274 CA GLY A 21 23.968 -21.033 -3.104 1.00 73.25 C ATOM 275 C GLY A 21 23.616 -21.897 -1.910 1.00 22.33 C ATOM 276 O GLY A 21 24.368 -22.801 -1.547 1.00 62.34 O ATOM 0 H GLY A 21 22.510 -19.582 -3.501 1.00 14.24 H new ATOM 0 HA2 GLY A 21 23.614 -21.516 -4.015 1.00 73.25 H new ATOM 0 HA3 GLY A 21 25.052 -20.956 -3.185 1.00 73.25 H new ATOM 280 N GLU A 22 22.471 -21.618 -1.295 1.00 51.54 N ATOM 281 CA GLU A 22 22.024 -22.375 -0.133 1.00 34.34 C ATOM 282 C GLU A 22 20.839 -23.270 -0.489 1.00 5.54 C ATOM 283 O GLU A 22 19.693 -22.958 -0.165 1.00 61.11 O ATOM 284 CB GLU A 22 21.637 -21.427 1.004 1.00 11.21 C ATOM 285 CG GLU A 22 21.174 -22.142 2.262 1.00 15.43 C ATOM 286 CD GLU A 22 21.446 -21.342 3.522 1.00 65.25 C ATOM 287 OE1 GLU A 22 21.915 -20.191 3.404 1.00 0.21 O ATOM 288 OE2 GLU A 22 21.191 -21.869 4.625 1.00 51.22 O ATOM 0 H GLU A 22 21.836 -20.873 -1.583 1.00 51.54 H new ATOM 0 HA GLU A 22 22.849 -23.007 0.196 1.00 34.34 H new ATOM 0 HB2 GLU A 22 22.493 -20.798 1.248 1.00 11.21 H new ATOM 0 HB3 GLU A 22 20.843 -20.765 0.659 1.00 11.21 H new ATOM 0 HG2 GLU A 22 20.105 -22.344 2.188 1.00 15.43 H new ATOM 0 HG3 GLU A 22 21.677 -23.107 2.333 1.00 15.43 H new ATOM 295 N TYR A 23 21.125 -24.381 -1.157 1.00 25.20 N ATOM 296 CA TYR A 23 20.085 -25.320 -1.560 1.00 51.32 C ATOM 297 C TYR A 23 20.694 -26.614 -2.090 1.00 23.21 C ATOM 298 O TYR A 23 21.915 -26.762 -2.148 1.00 22.14 O ATOM 299 CB TYR A 23 19.188 -24.691 -2.628 1.00 33.14 C ATOM 300 CG TYR A 23 19.954 -23.985 -3.723 1.00 53.23 C ATOM 301 CD1 TYR A 23 20.378 -24.671 -4.855 1.00 32.14 C ATOM 302 CD2 TYR A 23 20.254 -22.632 -3.627 1.00 3.21 C ATOM 303 CE1 TYR A 23 21.079 -24.030 -5.858 1.00 74.20 C ATOM 304 CE2 TYR A 23 20.953 -21.982 -4.626 1.00 22.40 C ATOM 305 CZ TYR A 23 21.363 -22.686 -5.739 1.00 43.23 C ATOM 306 OH TYR A 23 22.061 -22.043 -6.736 1.00 1.10 O ATOM 0 H TYR A 23 22.069 -24.654 -1.431 1.00 25.20 H new ATOM 0 HA TYR A 23 19.484 -25.556 -0.682 1.00 51.32 H new ATOM 0 HB2 TYR A 23 18.568 -25.469 -3.074 1.00 33.14 H new ATOM 0 HB3 TYR A 23 18.514 -23.980 -2.151 1.00 33.14 H new ATOM 0 HD1 TYR A 23 20.156 -25.723 -4.952 1.00 32.14 H new ATOM 0 HD2 TYR A 23 19.935 -22.078 -2.756 1.00 3.21 H new ATOM 0 HE1 TYR A 23 21.403 -24.578 -6.730 1.00 74.20 H new ATOM 0 HE2 TYR A 23 21.177 -20.929 -4.536 1.00 22.40 H new ATOM 0 HH TYR A 23 21.787 -21.103 -6.773 1.00 1.10 H new ATOM 316 N LYS A 24 19.834 -27.550 -2.477 1.00 23.22 N ATOM 317 CA LYS A 24 20.285 -28.833 -3.004 1.00 54.33 C ATOM 318 C LYS A 24 20.036 -28.921 -4.507 1.00 13.24 C ATOM 319 O LYS A 24 19.226 -29.727 -4.966 1.00 31.42 O ATOM 320 CB LYS A 24 19.569 -29.981 -2.290 1.00 34.12 C ATOM 321 CG LYS A 24 20.230 -30.393 -0.986 1.00 12.42 C ATOM 322 CD LYS A 24 20.024 -29.348 0.098 1.00 52.41 C ATOM 323 CE LYS A 24 20.400 -29.886 1.470 1.00 40.21 C ATOM 324 NZ LYS A 24 20.702 -28.790 2.432 1.00 43.12 N ATOM 0 H LYS A 24 18.820 -27.444 -2.436 1.00 23.22 H new ATOM 0 HA LYS A 24 21.357 -28.915 -2.825 1.00 54.33 H new ATOM 0 HB2 LYS A 24 18.539 -29.686 -2.088 1.00 34.12 H new ATOM 0 HB3 LYS A 24 19.529 -30.843 -2.956 1.00 34.12 H new ATOM 0 HG2 LYS A 24 19.821 -31.347 -0.655 1.00 12.42 H new ATOM 0 HG3 LYS A 24 21.297 -30.543 -1.150 1.00 12.42 H new ATOM 0 HD2 LYS A 24 20.625 -28.467 -0.126 1.00 52.41 H new ATOM 0 HD3 LYS A 24 18.982 -29.029 0.104 1.00 52.41 H new ATOM 0 HE2 LYS A 24 19.583 -30.495 1.858 1.00 40.21 H new ATOM 0 HE3 LYS A 24 21.268 -30.539 1.379 1.00 40.21 H new ATOM 0 HZ1 LYS A 24 20.954 -29.198 3.355 1.00 43.12 H new ATOM 0 HZ2 LYS A 24 21.498 -28.224 2.075 1.00 43.12 H new ATOM 0 HZ3 LYS A 24 19.865 -28.182 2.539 1.00 43.12 H new ATOM 338 N LEU A 25 20.737 -28.088 -5.268 1.00 21.04 N ATOM 339 CA LEU A 25 20.593 -28.073 -6.719 1.00 43.03 C ATOM 340 C LEU A 25 21.925 -27.762 -7.395 1.00 72.12 C ATOM 341 O LEU A 25 22.909 -27.436 -6.731 1.00 1.21 O ATOM 342 CB LEU A 25 19.543 -27.042 -7.137 1.00 4.22 C ATOM 343 CG LEU A 25 18.253 -27.028 -6.316 1.00 41.34 C ATOM 344 CD1 LEU A 25 17.488 -25.733 -6.547 1.00 24.54 C ATOM 345 CD2 LEU A 25 17.387 -28.230 -6.664 1.00 2.14 C ATOM 0 H LEU A 25 21.411 -27.414 -4.904 1.00 21.04 H new ATOM 0 HA LEU A 25 20.267 -29.063 -7.037 1.00 43.03 H new ATOM 0 HB2 LEU A 25 19.994 -26.051 -7.084 1.00 4.22 H new ATOM 0 HB3 LEU A 25 19.284 -27.219 -8.181 1.00 4.22 H new ATOM 0 HG LEU A 25 18.516 -27.088 -5.260 1.00 41.34 H new ATOM 0 HD11 LEU A 25 16.573 -25.740 -5.955 1.00 24.54 H new ATOM 0 HD12 LEU A 25 18.107 -24.887 -6.248 1.00 24.54 H new ATOM 0 HD13 LEU A 25 17.236 -25.643 -7.604 1.00 24.54 H new ATOM 0 HD21 LEU A 25 16.473 -28.204 -6.070 1.00 2.14 H new ATOM 0 HD22 LEU A 25 17.133 -28.201 -7.723 1.00 2.14 H new ATOM 0 HD23 LEU A 25 17.934 -29.148 -6.448 1.00 2.14 H new ATOM 357 N HIS A 26 21.948 -27.863 -8.720 1.00 71.54 N ATOM 358 CA HIS A 26 23.158 -27.590 -9.487 1.00 63.21 C ATOM 359 C HIS A 26 23.499 -26.103 -9.453 1.00 72.42 C ATOM 360 O HIS A 26 22.619 -25.258 -9.290 1.00 3.44 O ATOM 361 CB HIS A 26 22.986 -28.053 -10.934 1.00 40.02 C ATOM 362 CG HIS A 26 24.282 -28.263 -11.654 1.00 44.43 C ATOM 363 ND1 HIS A 26 25.304 -29.041 -11.153 1.00 63.24 N ATOM 364 CD2 HIS A 26 24.720 -27.791 -12.845 1.00 72.24 C ATOM 365 CE1 HIS A 26 26.315 -29.038 -12.004 1.00 72.33 C ATOM 366 NE2 HIS A 26 25.985 -28.287 -13.040 1.00 23.41 N ATOM 0 H HIS A 26 21.142 -28.132 -9.285 1.00 71.54 H new ATOM 0 HA HIS A 26 23.979 -28.144 -9.032 1.00 63.21 H new ATOM 0 HB2 HIS A 26 22.419 -28.984 -10.944 1.00 40.02 H new ATOM 0 HB3 HIS A 26 22.395 -27.314 -11.475 1.00 40.02 H new ATOM 0 HD2 HIS A 26 24.175 -27.144 -13.517 1.00 72.24 H new ATOM 0 HE1 HIS A 26 27.251 -29.560 -11.875 1.00 72.33 H new ATOM 0 HE2 HIS A 26 26.574 -28.105 -13.852 1.00 23.41 H new ATOM 374 N LYS A 27 24.781 -25.791 -9.608 1.00 21.50 N ATOM 375 CA LYS A 27 25.239 -24.407 -9.596 1.00 22.33 C ATOM 376 C LYS A 27 24.796 -23.676 -10.859 1.00 70.30 C ATOM 377 O LYS A 27 24.510 -22.480 -10.828 1.00 21.22 O ATOM 378 CB LYS A 27 26.764 -24.354 -9.471 1.00 55.01 C ATOM 379 CG LYS A 27 27.265 -24.553 -8.051 1.00 60.13 C ATOM 380 CD LYS A 27 27.439 -26.026 -7.723 1.00 33.43 C ATOM 381 CE LYS A 27 28.717 -26.586 -8.329 1.00 12.24 C ATOM 382 NZ LYS A 27 29.111 -27.876 -7.698 1.00 71.24 N ATOM 0 H LYS A 27 25.522 -26.479 -9.744 1.00 21.50 H new ATOM 0 HA LYS A 27 24.792 -23.910 -8.735 1.00 22.33 H new ATOM 0 HB2 LYS A 27 27.200 -25.121 -10.112 1.00 55.01 H new ATOM 0 HB3 LYS A 27 27.117 -23.391 -9.840 1.00 55.01 H new ATOM 0 HG2 LYS A 27 28.216 -24.036 -7.924 1.00 60.13 H new ATOM 0 HG3 LYS A 27 26.562 -24.104 -7.350 1.00 60.13 H new ATOM 0 HD2 LYS A 27 27.460 -26.159 -6.641 1.00 33.43 H new ATOM 0 HD3 LYS A 27 26.582 -26.587 -8.097 1.00 33.43 H new ATOM 0 HE2 LYS A 27 28.577 -26.733 -9.400 1.00 12.24 H new ATOM 0 HE3 LYS A 27 29.523 -25.862 -8.210 1.00 12.24 H new ATOM 0 HZ1 LYS A 27 29.986 -28.225 -8.138 1.00 71.24 H new ATOM 0 HZ2 LYS A 27 29.269 -27.731 -6.680 1.00 71.24 H new ATOM 0 HZ3 LYS A 27 28.353 -28.575 -7.834 1.00 71.24 H new ATOM 396 N GLY A 28 24.740 -24.405 -11.970 1.00 51.41 N ATOM 397 CA GLY A 28 24.329 -23.808 -13.228 1.00 23.41 C ATOM 398 C GLY A 28 23.010 -23.070 -13.116 1.00 70.33 C ATOM 399 O GLY A 28 22.810 -22.040 -13.760 1.00 60.31 O ATOM 0 H GLY A 28 24.972 -25.397 -12.021 1.00 51.41 H new ATOM 0 HA2 GLY A 28 25.101 -23.117 -13.568 1.00 23.41 H new ATOM 0 HA3 GLY A 28 24.243 -24.587 -13.985 1.00 23.41 H new ATOM 403 N VAL A 29 22.106 -23.598 -12.298 1.00 35.53 N ATOM 404 CA VAL A 29 20.798 -22.983 -12.104 1.00 72.42 C ATOM 405 C VAL A 29 20.933 -21.515 -11.717 1.00 40.05 C ATOM 406 O VAL A 29 20.091 -20.688 -12.070 1.00 23.43 O ATOM 407 CB VAL A 29 19.988 -23.716 -11.018 1.00 71.54 C ATOM 408 CG1 VAL A 29 18.579 -23.151 -10.930 1.00 54.11 C ATOM 409 CG2 VAL A 29 19.955 -25.212 -11.297 1.00 52.54 C ATOM 0 H VAL A 29 22.255 -24.451 -11.758 1.00 35.53 H new ATOM 0 HA VAL A 29 20.269 -23.058 -13.054 1.00 72.42 H new ATOM 0 HB VAL A 29 20.477 -23.559 -10.057 1.00 71.54 H new ATOM 0 HG11 VAL A 29 18.022 -23.681 -10.158 1.00 54.11 H new ATOM 0 HG12 VAL A 29 18.627 -22.091 -10.680 1.00 54.11 H new ATOM 0 HG13 VAL A 29 18.077 -23.275 -11.889 1.00 54.11 H new ATOM 0 HG21 VAL A 29 19.379 -25.714 -10.520 1.00 52.54 H new ATOM 0 HG22 VAL A 29 19.490 -25.391 -12.267 1.00 52.54 H new ATOM 0 HG23 VAL A 29 20.972 -25.603 -11.304 1.00 52.54 H new ATOM 419 N LYS A 30 21.999 -21.196 -10.991 1.00 34.15 N ATOM 420 CA LYS A 30 22.247 -19.827 -10.556 1.00 50.41 C ATOM 421 C LYS A 30 22.190 -18.862 -11.737 1.00 30.42 C ATOM 422 O LYS A 30 21.695 -17.742 -11.614 1.00 35.14 O ATOM 423 CB LYS A 30 23.610 -19.727 -9.868 1.00 64.33 C ATOM 424 CG LYS A 30 23.712 -20.553 -8.597 1.00 41.24 C ATOM 425 CD LYS A 30 25.046 -20.342 -7.901 1.00 21.30 C ATOM 426 CE LYS A 30 24.900 -20.398 -6.388 1.00 51.00 C ATOM 427 NZ LYS A 30 26.125 -19.913 -5.694 1.00 60.01 N ATOM 0 H LYS A 30 22.706 -21.868 -10.691 1.00 34.15 H new ATOM 0 HA LYS A 30 21.467 -19.551 -9.846 1.00 50.41 H new ATOM 0 HB2 LYS A 30 24.384 -20.050 -10.564 1.00 64.33 H new ATOM 0 HB3 LYS A 30 23.812 -18.683 -9.630 1.00 64.33 H new ATOM 0 HG2 LYS A 30 22.901 -20.283 -7.921 1.00 41.24 H new ATOM 0 HG3 LYS A 30 23.589 -21.609 -8.837 1.00 41.24 H new ATOM 0 HD2 LYS A 30 25.753 -21.105 -8.228 1.00 21.30 H new ATOM 0 HD3 LYS A 30 25.461 -19.377 -8.192 1.00 21.30 H new ATOM 0 HE2 LYS A 30 24.046 -19.793 -6.083 1.00 51.00 H new ATOM 0 HE3 LYS A 30 24.690 -21.423 -6.081 1.00 51.00 H new ATOM 0 HZ1 LYS A 30 25.891 -19.661 -4.712 1.00 60.01 H new ATOM 0 HZ2 LYS A 30 26.846 -20.663 -5.697 1.00 60.01 H new ATOM 0 HZ3 LYS A 30 26.495 -19.076 -6.187 1.00 60.01 H new ATOM 441 N LYS A 31 22.699 -19.305 -12.881 1.00 71.35 N ATOM 442 CA LYS A 31 22.704 -18.483 -14.086 1.00 32.51 C ATOM 443 C LYS A 31 21.281 -18.210 -14.564 1.00 3.34 C ATOM 444 O LYS A 31 20.989 -17.136 -15.088 1.00 33.11 O ATOM 445 CB LYS A 31 23.502 -19.173 -15.195 1.00 51.40 C ATOM 446 CG LYS A 31 24.983 -18.835 -15.178 1.00 73.33 C ATOM 447 CD LYS A 31 25.801 -19.882 -15.915 1.00 64.11 C ATOM 448 CE LYS A 31 26.266 -20.987 -14.979 1.00 4.34 C ATOM 449 NZ LYS A 31 27.503 -20.606 -14.242 1.00 45.44 N ATOM 0 H LYS A 31 23.114 -20.229 -13.000 1.00 71.35 H new ATOM 0 HA LYS A 31 23.177 -17.531 -13.845 1.00 32.51 H new ATOM 0 HB2 LYS A 31 23.383 -20.252 -15.099 1.00 51.40 H new ATOM 0 HB3 LYS A 31 23.084 -18.891 -16.161 1.00 51.40 H new ATOM 0 HG2 LYS A 31 25.140 -17.859 -15.638 1.00 73.33 H new ATOM 0 HG3 LYS A 31 25.329 -18.761 -14.147 1.00 73.33 H new ATOM 0 HD2 LYS A 31 25.204 -20.312 -16.719 1.00 64.11 H new ATOM 0 HD3 LYS A 31 26.666 -19.409 -16.379 1.00 64.11 H new ATOM 0 HE2 LYS A 31 25.474 -21.216 -14.266 1.00 4.34 H new ATOM 0 HE3 LYS A 31 26.450 -21.895 -15.553 1.00 4.34 H new ATOM 0 HZ1 LYS A 31 27.787 -21.385 -13.615 1.00 45.44 H new ATOM 0 HZ2 LYS A 31 28.266 -20.412 -14.921 1.00 45.44 H new ATOM 0 HZ3 LYS A 31 27.320 -19.754 -13.674 1.00 45.44 H new ATOM 463 N ASN A 32 20.401 -19.188 -14.377 1.00 52.32 N ATOM 464 CA ASN A 32 19.008 -19.051 -14.789 1.00 23.15 C ATOM 465 C ASN A 32 18.238 -18.163 -13.816 1.00 23.34 C ATOM 466 O ASN A 32 17.371 -17.389 -14.220 1.00 53.31 O ATOM 467 CB ASN A 32 18.344 -20.426 -14.877 1.00 34.41 C ATOM 468 CG ASN A 32 16.941 -20.355 -15.450 1.00 2.04 C ATOM 469 OD1 ASN A 32 16.728 -20.620 -16.633 1.00 14.13 O ATOM 470 ND2 ASN A 32 15.977 -19.995 -14.610 1.00 61.21 N ATOM 0 H ASN A 32 20.627 -20.083 -13.943 1.00 52.32 H new ATOM 0 HA ASN A 32 18.990 -18.582 -15.773 1.00 23.15 H new ATOM 0 HB2 ASN A 32 18.954 -21.082 -15.498 1.00 34.41 H new ATOM 0 HB3 ASN A 32 18.306 -20.872 -13.883 1.00 34.41 H new ATOM 0 HD21 ASN A 32 15.013 -19.929 -14.938 1.00 61.21 H new ATOM 0 HD22 ASN A 32 16.200 -19.785 -13.637 1.00 61.21 H new ATOM 477 N ILE A 33 18.562 -18.281 -12.532 1.00 61.44 N ATOM 478 CA ILE A 33 17.902 -17.489 -11.502 1.00 44.44 C ATOM 479 C ILE A 33 18.376 -16.040 -11.536 1.00 44.41 C ATOM 480 O ILE A 33 17.568 -15.113 -11.563 1.00 53.32 O ATOM 481 CB ILE A 33 18.156 -18.067 -10.098 1.00 31.31 C ATOM 482 CG1 ILE A 33 17.724 -19.534 -10.041 1.00 63.24 C ATOM 483 CG2 ILE A 33 17.417 -17.251 -9.048 1.00 22.34 C ATOM 484 CD1 ILE A 33 16.257 -19.745 -10.345 1.00 4.40 C ATOM 0 H ILE A 33 19.278 -18.918 -12.181 1.00 61.44 H new ATOM 0 HA ILE A 33 16.833 -17.525 -11.713 1.00 44.44 H new ATOM 0 HB ILE A 33 19.224 -18.013 -9.887 1.00 31.31 H new ATOM 0 HG12 ILE A 33 18.320 -20.108 -10.751 1.00 63.24 H new ATOM 0 HG13 ILE A 33 17.942 -19.930 -9.049 1.00 63.24 H new ATOM 0 HG21 ILE A 33 17.606 -17.672 -8.061 1.00 22.34 H new ATOM 0 HG22 ILE A 33 17.767 -16.219 -9.076 1.00 22.34 H new ATOM 0 HG23 ILE A 33 16.347 -17.276 -9.254 1.00 22.34 H new ATOM 0 HD11 ILE A 33 16.022 -20.808 -10.286 1.00 4.40 H new ATOM 0 HD12 ILE A 33 15.653 -19.200 -9.620 1.00 4.40 H new ATOM 0 HD13 ILE A 33 16.037 -19.380 -11.348 1.00 4.40 H new ATOM 496 N GLU A 34 19.693 -15.853 -11.536 1.00 73.11 N ATOM 497 CA GLU A 34 20.274 -14.516 -11.568 1.00 21.23 C ATOM 498 C GLU A 34 19.689 -13.695 -12.714 1.00 21.55 C ATOM 499 O GLU A 34 19.527 -12.480 -12.601 1.00 71.31 O ATOM 500 CB GLU A 34 21.795 -14.601 -11.711 1.00 1.40 C ATOM 501 CG GLU A 34 22.251 -15.108 -13.069 1.00 4.43 C ATOM 502 CD GLU A 34 23.762 -15.169 -13.191 1.00 75.12 C ATOM 503 OE1 GLU A 34 24.380 -15.998 -12.490 1.00 54.23 O ATOM 504 OE2 GLU A 34 24.325 -14.389 -13.987 1.00 21.21 O ATOM 0 H GLU A 34 20.376 -16.610 -11.514 1.00 73.11 H new ATOM 0 HA GLU A 34 20.031 -14.019 -10.628 1.00 21.23 H new ATOM 0 HB2 GLU A 34 22.223 -13.614 -11.538 1.00 1.40 H new ATOM 0 HB3 GLU A 34 22.188 -15.259 -10.936 1.00 1.40 H new ATOM 0 HG2 GLU A 34 21.836 -16.101 -13.240 1.00 4.43 H new ATOM 0 HG3 GLU A 34 21.853 -14.458 -13.848 1.00 4.43 H new ATOM 511 N ASP A 35 19.375 -14.368 -13.815 1.00 61.40 N ATOM 512 CA ASP A 35 18.808 -13.703 -14.982 1.00 13.20 C ATOM 513 C ASP A 35 17.464 -13.065 -14.644 1.00 1.53 C ATOM 514 O ASP A 35 17.202 -11.916 -15.004 1.00 72.22 O ATOM 515 CB ASP A 35 18.639 -14.698 -16.131 1.00 52.22 C ATOM 516 CG ASP A 35 19.946 -14.989 -16.842 1.00 10.21 C ATOM 517 OD1 ASP A 35 20.829 -14.105 -16.847 1.00 34.03 O ATOM 518 OD2 ASP A 35 20.087 -16.101 -17.392 1.00 53.55 O ATOM 0 H ASP A 35 19.504 -15.374 -13.924 1.00 61.40 H new ATOM 0 HA ASP A 35 19.496 -12.916 -15.291 1.00 13.20 H new ATOM 0 HB2 ASP A 35 18.224 -15.629 -15.744 1.00 52.22 H new ATOM 0 HB3 ASP A 35 17.919 -14.302 -16.848 1.00 52.22 H new ATOM 523 N LEU A 36 16.616 -13.816 -13.951 1.00 11.15 N ATOM 524 CA LEU A 36 15.298 -13.324 -13.564 1.00 71.21 C ATOM 525 C LEU A 36 15.416 -12.104 -12.656 1.00 25.51 C ATOM 526 O LEU A 36 14.610 -11.177 -12.736 1.00 43.41 O ATOM 527 CB LEU A 36 14.508 -14.426 -12.856 1.00 60.52 C ATOM 528 CG LEU A 36 13.571 -15.253 -13.738 1.00 0.22 C ATOM 529 CD1 LEU A 36 12.893 -16.342 -12.922 1.00 31.32 C ATOM 530 CD2 LEU A 36 12.535 -14.357 -14.401 1.00 34.24 C ATOM 0 H LEU A 36 16.817 -14.768 -13.645 1.00 11.15 H new ATOM 0 HA LEU A 36 14.768 -13.029 -14.470 1.00 71.21 H new ATOM 0 HB2 LEU A 36 15.216 -15.103 -12.378 1.00 60.52 H new ATOM 0 HB3 LEU A 36 13.918 -13.969 -12.062 1.00 60.52 H new ATOM 0 HG LEU A 36 14.164 -15.729 -14.519 1.00 0.22 H new ATOM 0 HD11 LEU A 36 12.230 -16.920 -13.566 1.00 31.32 H new ATOM 0 HD12 LEU A 36 13.649 -17.001 -12.495 1.00 31.32 H new ATOM 0 HD13 LEU A 36 12.313 -15.887 -12.119 1.00 31.32 H new ATOM 0 HD21 LEU A 36 11.877 -14.962 -15.025 1.00 34.24 H new ATOM 0 HD22 LEU A 36 11.946 -13.853 -13.635 1.00 34.24 H new ATOM 0 HD23 LEU A 36 13.039 -13.614 -15.019 1.00 34.24 H new ATOM 542 N LEU A 37 16.427 -12.111 -11.794 1.00 63.30 N ATOM 543 CA LEU A 37 16.654 -11.004 -10.872 1.00 34.15 C ATOM 544 C LEU A 37 17.131 -9.762 -11.618 1.00 33.32 C ATOM 545 O LEU A 37 16.801 -8.636 -11.246 1.00 2.13 O ATOM 546 CB LEU A 37 17.681 -11.401 -9.810 1.00 12.13 C ATOM 547 CG LEU A 37 18.066 -10.311 -8.808 1.00 61.53 C ATOM 548 CD1 LEU A 37 16.825 -9.731 -8.148 1.00 5.14 C ATOM 549 CD2 LEU A 37 19.022 -10.864 -7.761 1.00 15.14 C ATOM 0 H LEU A 37 17.102 -12.871 -11.714 1.00 63.30 H new ATOM 0 HA LEU A 37 15.708 -10.771 -10.384 1.00 34.15 H new ATOM 0 HB2 LEU A 37 17.290 -12.254 -9.256 1.00 12.13 H new ATOM 0 HB3 LEU A 37 18.586 -11.737 -10.316 1.00 12.13 H new ATOM 0 HG LEU A 37 18.573 -9.510 -9.347 1.00 61.53 H new ATOM 0 HD11 LEU A 37 17.118 -8.957 -7.438 1.00 5.14 H new ATOM 0 HD12 LEU A 37 16.176 -9.298 -8.910 1.00 5.14 H new ATOM 0 HD13 LEU A 37 16.289 -10.521 -7.622 1.00 5.14 H new ATOM 0 HD21 LEU A 37 19.286 -10.075 -7.056 1.00 15.14 H new ATOM 0 HD22 LEU A 37 18.541 -11.683 -7.226 1.00 15.14 H new ATOM 0 HD23 LEU A 37 19.925 -11.230 -8.250 1.00 15.14 H new ATOM 561 N LYS A 38 17.907 -9.975 -12.675 1.00 21.42 N ATOM 562 CA LYS A 38 18.427 -8.875 -13.477 1.00 44.30 C ATOM 563 C LYS A 38 17.295 -7.981 -13.974 1.00 64.21 C ATOM 564 O LYS A 38 17.353 -6.759 -13.840 1.00 21.50 O ATOM 565 CB LYS A 38 19.224 -9.415 -14.666 1.00 63.43 C ATOM 566 CG LYS A 38 20.489 -10.155 -14.265 1.00 71.13 C ATOM 567 CD LYS A 38 21.663 -9.772 -15.150 1.00 63.12 C ATOM 568 CE LYS A 38 21.878 -10.788 -16.261 1.00 65.05 C ATOM 569 NZ LYS A 38 20.872 -10.642 -17.349 1.00 40.32 N ATOM 0 H LYS A 38 18.190 -10.901 -12.996 1.00 21.42 H new ATOM 0 HA LYS A 38 19.087 -8.279 -12.846 1.00 44.30 H new ATOM 0 HB2 LYS A 38 18.588 -10.086 -15.244 1.00 63.43 H new ATOM 0 HB3 LYS A 38 19.491 -8.585 -15.321 1.00 63.43 H new ATOM 0 HG2 LYS A 38 20.728 -9.932 -13.225 1.00 71.13 H new ATOM 0 HG3 LYS A 38 20.319 -11.230 -14.329 1.00 71.13 H new ATOM 0 HD2 LYS A 38 21.487 -8.788 -15.584 1.00 63.12 H new ATOM 0 HD3 LYS A 38 22.567 -9.696 -14.545 1.00 63.12 H new ATOM 0 HE2 LYS A 38 22.880 -10.668 -16.674 1.00 65.05 H new ATOM 0 HE3 LYS A 38 21.822 -11.795 -15.848 1.00 65.05 H new ATOM 0 HZ1 LYS A 38 21.053 -11.352 -18.087 1.00 40.32 H new ATOM 0 HZ2 LYS A 38 19.918 -10.782 -16.960 1.00 40.32 H new ATOM 0 HZ3 LYS A 38 20.942 -9.690 -17.761 1.00 40.32 H new ATOM 583 N GLU A 39 16.267 -8.600 -14.547 1.00 3.42 N ATOM 584 CA GLU A 39 15.122 -7.859 -15.063 1.00 2.33 C ATOM 585 C GLU A 39 14.216 -7.396 -13.925 1.00 45.32 C ATOM 586 O GLU A 39 13.592 -6.337 -14.005 1.00 40.12 O ATOM 587 CB GLU A 39 14.327 -8.723 -16.043 1.00 32.41 C ATOM 588 CG GLU A 39 15.169 -9.296 -17.171 1.00 35.43 C ATOM 589 CD GLU A 39 15.451 -8.281 -18.261 1.00 63.53 C ATOM 590 OE1 GLU A 39 14.504 -7.590 -18.689 1.00 73.35 O ATOM 591 OE2 GLU A 39 16.621 -8.179 -18.686 1.00 42.33 O ATOM 0 H GLU A 39 16.204 -9.611 -14.665 1.00 3.42 H new ATOM 0 HA GLU A 39 15.497 -6.980 -15.587 1.00 2.33 H new ATOM 0 HB2 GLU A 39 13.861 -9.543 -15.496 1.00 32.41 H new ATOM 0 HB3 GLU A 39 13.521 -8.126 -16.470 1.00 32.41 H new ATOM 0 HG2 GLU A 39 16.113 -9.660 -16.766 1.00 35.43 H new ATOM 0 HG3 GLU A 39 14.655 -10.155 -17.603 1.00 35.43 H new ATOM 598 N LEU A 40 14.150 -8.196 -12.867 1.00 75.12 N ATOM 599 CA LEU A 40 13.320 -7.870 -11.712 1.00 40.13 C ATOM 600 C LEU A 40 13.870 -6.655 -10.972 1.00 43.14 C ATOM 601 O LEU A 40 13.133 -5.943 -10.290 1.00 72.21 O ATOM 602 CB LEU A 40 13.240 -9.067 -10.763 1.00 1.53 C ATOM 603 CG LEU A 40 11.959 -9.898 -10.837 1.00 12.33 C ATOM 604 CD1 LEU A 40 10.744 -9.035 -10.531 1.00 43.34 C ATOM 605 CD2 LEU A 40 11.823 -10.548 -12.206 1.00 51.50 C ATOM 0 H LEU A 40 14.661 -9.075 -12.785 1.00 75.12 H new ATOM 0 HA LEU A 40 12.319 -7.631 -12.070 1.00 40.13 H new ATOM 0 HB2 LEU A 40 14.087 -9.723 -10.965 1.00 1.53 H new ATOM 0 HB3 LEU A 40 13.355 -8.704 -9.742 1.00 1.53 H new ATOM 0 HG LEU A 40 12.017 -10.687 -10.087 1.00 12.33 H new ATOM 0 HD11 LEU A 40 9.842 -9.644 -10.588 1.00 43.34 H new ATOM 0 HD12 LEU A 40 10.837 -8.618 -9.528 1.00 43.34 H new ATOM 0 HD13 LEU A 40 10.682 -8.224 -11.257 1.00 43.34 H new ATOM 0 HD21 LEU A 40 10.906 -11.135 -12.240 1.00 51.50 H new ATOM 0 HD22 LEU A 40 11.788 -9.775 -12.974 1.00 51.50 H new ATOM 0 HD23 LEU A 40 12.678 -11.200 -12.386 1.00 51.50 H new ATOM 617 N LYS A 41 15.171 -6.422 -11.114 1.00 13.45 N ATOM 618 CA LYS A 41 15.821 -5.291 -10.462 1.00 52.20 C ATOM 619 C LYS A 41 15.293 -3.969 -11.012 1.00 25.31 C ATOM 620 O LYS A 41 14.825 -3.114 -10.260 1.00 22.04 O ATOM 621 CB LYS A 41 17.337 -5.367 -10.655 1.00 60.04 C ATOM 622 CG LYS A 41 18.053 -6.130 -9.554 1.00 50.41 C ATOM 623 CD LYS A 41 18.609 -5.191 -8.497 1.00 4.13 C ATOM 624 CE LYS A 41 19.430 -5.943 -7.460 1.00 44.33 C ATOM 625 NZ LYS A 41 20.876 -5.979 -7.817 1.00 53.43 N ATOM 0 H LYS A 41 15.796 -7.001 -11.675 1.00 13.45 H new ATOM 0 HA LYS A 41 15.594 -5.338 -9.397 1.00 52.20 H new ATOM 0 HB2 LYS A 41 17.549 -5.843 -11.612 1.00 60.04 H new ATOM 0 HB3 LYS A 41 17.740 -4.355 -10.705 1.00 60.04 H new ATOM 0 HG2 LYS A 41 17.363 -6.834 -9.090 1.00 50.41 H new ATOM 0 HG3 LYS A 41 18.865 -6.716 -9.985 1.00 50.41 H new ATOM 0 HD2 LYS A 41 19.230 -4.432 -8.973 1.00 4.13 H new ATOM 0 HD3 LYS A 41 17.789 -4.669 -8.004 1.00 4.13 H new ATOM 0 HE2 LYS A 41 19.308 -5.468 -6.486 1.00 44.33 H new ATOM 0 HE3 LYS A 41 19.053 -6.962 -7.368 1.00 44.33 H new ATOM 0 HZ1 LYS A 41 21.401 -6.500 -7.086 1.00 53.43 H new ATOM 0 HZ2 LYS A 41 20.995 -6.454 -8.734 1.00 53.43 H new ATOM 0 HZ3 LYS A 41 21.242 -5.008 -7.880 1.00 53.43 H new ATOM 639 N THR A 42 15.371 -3.808 -12.329 1.00 60.53 N ATOM 640 CA THR A 42 14.901 -2.592 -12.980 1.00 4.33 C ATOM 641 C THR A 42 13.384 -2.471 -12.891 1.00 24.21 C ATOM 642 O THR A 42 12.843 -1.368 -12.830 1.00 13.14 O ATOM 643 CB THR A 42 15.323 -2.548 -14.461 1.00 13.13 C ATOM 644 OG1 THR A 42 15.075 -1.245 -15.002 1.00 63.50 O ATOM 645 CG2 THR A 42 14.566 -3.591 -15.270 1.00 3.24 C ATOM 0 H THR A 42 15.756 -4.505 -12.966 1.00 60.53 H new ATOM 0 HA THR A 42 15.360 -1.755 -12.454 1.00 4.33 H new ATOM 0 HB THR A 42 16.389 -2.769 -14.520 1.00 13.13 H new ATOM 0 HG1 THR A 42 15.347 -1.224 -15.943 1.00 63.50 H new ATOM 0 HG21 THR A 42 14.880 -3.541 -16.313 1.00 3.24 H new ATOM 0 HG22 THR A 42 14.779 -4.584 -14.874 1.00 3.24 H new ATOM 0 HG23 THR A 42 13.496 -3.396 -15.204 1.00 3.24 H new ATOM 653 N MET A 43 12.704 -3.613 -12.884 1.00 1.13 N ATOM 654 CA MET A 43 11.248 -3.634 -12.800 1.00 64.13 C ATOM 655 C MET A 43 10.762 -2.857 -11.581 1.00 44.42 C ATOM 656 O MET A 43 9.860 -2.027 -11.682 1.00 73.02 O ATOM 657 CB MET A 43 10.741 -5.076 -12.736 1.00 11.12 C ATOM 658 CG MET A 43 10.746 -5.783 -14.081 1.00 44.14 C ATOM 659 SD MET A 43 9.153 -5.691 -14.921 1.00 4.20 S ATOM 660 CE MET A 43 9.567 -6.403 -16.511 1.00 43.15 C ATOM 0 H MET A 43 13.137 -4.535 -12.935 1.00 1.13 H new ATOM 0 HA MET A 43 10.850 -3.156 -13.695 1.00 64.13 H new ATOM 0 HB2 MET A 43 11.359 -5.639 -12.037 1.00 11.12 H new ATOM 0 HB3 MET A 43 9.726 -5.078 -12.338 1.00 11.12 H new ATOM 0 HG2 MET A 43 11.513 -5.341 -14.716 1.00 44.14 H new ATOM 0 HG3 MET A 43 11.016 -6.829 -13.936 1.00 44.14 H new ATOM 0 HE1 MET A 43 9.477 -5.641 -17.285 1.00 43.15 H new ATOM 0 HE2 MET A 43 10.591 -6.777 -16.487 1.00 43.15 H new ATOM 0 HE3 MET A 43 8.886 -7.225 -16.730 1.00 43.15 H new ATOM 670 N ASN A 44 11.367 -3.131 -10.430 1.00 21.30 N ATOM 671 CA ASN A 44 10.995 -2.458 -9.191 1.00 54.32 C ATOM 672 C ASN A 44 11.190 -0.949 -9.312 1.00 74.43 C ATOM 673 O ASN A 44 10.406 -0.167 -8.776 1.00 11.03 O ATOM 674 CB ASN A 44 11.823 -2.998 -8.024 1.00 34.24 C ATOM 675 CG ASN A 44 11.731 -2.116 -6.793 1.00 63.41 C ATOM 676 OD1 ASN A 44 12.746 -1.653 -6.271 1.00 75.31 O ATOM 677 ND2 ASN A 44 10.512 -1.880 -6.324 1.00 33.43 N ATOM 0 H ASN A 44 12.117 -3.815 -10.329 1.00 21.30 H new ATOM 0 HA ASN A 44 9.940 -2.657 -9.002 1.00 54.32 H new ATOM 0 HB2 ASN A 44 11.482 -4.003 -7.774 1.00 34.24 H new ATOM 0 HB3 ASN A 44 12.866 -3.082 -8.330 1.00 34.24 H new ATOM 0 HD21 ASN A 44 10.388 -1.294 -5.499 1.00 33.43 H new ATOM 0 HD22 ASN A 44 9.699 -2.285 -6.789 1.00 33.43 H new ATOM 684 N ALA A 45 12.240 -0.549 -10.022 1.00 32.24 N ATOM 685 CA ALA A 45 12.536 0.865 -10.216 1.00 25.32 C ATOM 686 C ALA A 45 11.524 1.515 -11.152 1.00 73.44 C ATOM 687 O ALA A 45 11.275 2.717 -11.074 1.00 53.24 O ATOM 688 CB ALA A 45 13.947 1.038 -10.758 1.00 43.24 C ATOM 0 H ALA A 45 12.899 -1.184 -10.472 1.00 32.24 H new ATOM 0 HA ALA A 45 12.466 1.362 -9.248 1.00 25.32 H new ATOM 0 HB1 ALA A 45 14.155 2.099 -10.898 1.00 43.24 H new ATOM 0 HB2 ALA A 45 14.662 0.618 -10.051 1.00 43.24 H new ATOM 0 HB3 ALA A 45 14.036 0.521 -11.714 1.00 43.24 H new ATOM 694 N ALA A 46 10.943 0.711 -12.038 1.00 3.40 N ATOM 695 CA ALA A 46 9.957 1.209 -12.989 1.00 33.32 C ATOM 696 C ALA A 46 8.737 1.774 -12.269 1.00 70.10 C ATOM 697 O ALA A 46 8.296 2.888 -12.555 1.00 34.24 O ATOM 698 CB ALA A 46 9.541 0.101 -13.946 1.00 1.22 C ATOM 0 H ALA A 46 11.138 -0.287 -12.116 1.00 3.40 H new ATOM 0 HA ALA A 46 10.415 2.016 -13.561 1.00 33.32 H new ATOM 0 HB1 ALA A 46 8.804 0.487 -14.651 1.00 1.22 H new ATOM 0 HB2 ALA A 46 10.414 -0.255 -14.492 1.00 1.22 H new ATOM 0 HB3 ALA A 46 9.106 -0.723 -13.381 1.00 1.22 H new ATOM 704 N LEU A 47 8.196 1.000 -11.335 1.00 74.42 N ATOM 705 CA LEU A 47 7.025 1.423 -10.574 1.00 42.02 C ATOM 706 C LEU A 47 7.270 2.772 -9.905 1.00 33.54 C ATOM 707 O LEU A 47 6.331 3.524 -9.642 1.00 42.31 O ATOM 708 CB LEU A 47 6.671 0.374 -9.519 1.00 63.52 C ATOM 709 CG LEU A 47 7.473 0.432 -8.218 1.00 41.45 C ATOM 710 CD1 LEU A 47 6.726 1.238 -7.167 1.00 42.20 C ATOM 711 CD2 LEU A 47 7.766 -0.971 -7.709 1.00 23.13 C ATOM 0 H LEU A 47 8.549 0.076 -11.086 1.00 74.42 H new ATOM 0 HA LEU A 47 6.190 1.528 -11.267 1.00 42.02 H new ATOM 0 HB2 LEU A 47 5.614 0.476 -9.275 1.00 63.52 H new ATOM 0 HB3 LEU A 47 6.803 -0.614 -9.960 1.00 63.52 H new ATOM 0 HG LEU A 47 8.422 0.928 -8.420 1.00 41.45 H new ATOM 0 HD11 LEU A 47 7.311 1.269 -6.248 1.00 42.20 H new ATOM 0 HD12 LEU A 47 6.569 2.253 -7.531 1.00 42.20 H new ATOM 0 HD13 LEU A 47 5.762 0.771 -6.967 1.00 42.20 H new ATOM 0 HD21 LEU A 47 8.337 -0.910 -6.783 1.00 23.13 H new ATOM 0 HD22 LEU A 47 6.828 -1.494 -7.523 1.00 23.13 H new ATOM 0 HD23 LEU A 47 8.343 -1.516 -8.456 1.00 23.13 H new ATOM 723 N ILE A 48 8.536 3.070 -9.633 1.00 55.50 N ATOM 724 CA ILE A 48 8.903 4.330 -8.997 1.00 61.44 C ATOM 725 C ILE A 48 8.790 5.493 -9.976 1.00 41.24 C ATOM 726 O ILE A 48 8.201 6.528 -9.663 1.00 40.03 O ATOM 727 CB ILE A 48 10.338 4.281 -8.439 1.00 34.30 C ATOM 728 CG1 ILE A 48 10.475 3.142 -7.426 1.00 2.42 C ATOM 729 CG2 ILE A 48 10.703 5.612 -7.801 1.00 2.44 C ATOM 730 CD1 ILE A 48 11.910 2.761 -7.137 1.00 22.12 C ATOM 0 H ILE A 48 9.324 2.457 -9.843 1.00 55.50 H new ATOM 0 HA ILE A 48 8.206 4.483 -8.173 1.00 61.44 H new ATOM 0 HB ILE A 48 11.027 4.094 -9.263 1.00 34.30 H new ATOM 0 HG12 ILE A 48 9.990 3.435 -6.494 1.00 2.42 H new ATOM 0 HG13 ILE A 48 9.944 2.267 -7.801 1.00 2.42 H new ATOM 0 HG21 ILE A 48 11.720 5.562 -7.411 1.00 2.44 H new ATOM 0 HG22 ILE A 48 10.639 6.403 -8.548 1.00 2.44 H new ATOM 0 HG23 ILE A 48 10.012 5.826 -6.986 1.00 2.44 H new ATOM 0 HD11 ILE A 48 11.932 1.948 -6.411 1.00 22.12 H new ATOM 0 HD12 ILE A 48 12.393 2.437 -8.059 1.00 22.12 H new ATOM 0 HD13 ILE A 48 12.441 3.623 -6.732 1.00 22.12 H new ATOM 742 N LYS A 49 9.357 5.316 -11.165 1.00 2.30 N ATOM 743 CA LYS A 49 9.318 6.349 -12.193 1.00 44.51 C ATOM 744 C LYS A 49 7.910 6.501 -12.759 1.00 42.22 C ATOM 745 O LYS A 49 7.374 7.608 -12.826 1.00 21.31 O ATOM 746 CB LYS A 49 10.299 6.014 -13.319 1.00 51.23 C ATOM 747 CG LYS A 49 11.746 6.323 -12.978 1.00 2.12 C ATOM 748 CD LYS A 49 12.377 5.207 -12.162 1.00 41.01 C ATOM 749 CE LYS A 49 13.892 5.336 -12.119 1.00 60.22 C ATOM 750 NZ LYS A 49 14.529 4.799 -13.354 1.00 4.35 N ATOM 0 H LYS A 49 9.849 4.466 -11.440 1.00 2.30 H new ATOM 0 HA LYS A 49 9.610 7.294 -11.734 1.00 44.51 H new ATOM 0 HB2 LYS A 49 10.210 4.955 -13.564 1.00 51.23 H new ATOM 0 HB3 LYS A 49 10.018 6.572 -14.212 1.00 51.23 H new ATOM 0 HG2 LYS A 49 12.314 6.469 -13.897 1.00 2.12 H new ATOM 0 HG3 LYS A 49 11.798 7.257 -12.419 1.00 2.12 H new ATOM 0 HD2 LYS A 49 11.980 5.228 -11.147 1.00 41.01 H new ATOM 0 HD3 LYS A 49 12.105 4.243 -12.591 1.00 41.01 H new ATOM 0 HE2 LYS A 49 14.164 6.384 -11.996 1.00 60.22 H new ATOM 0 HE3 LYS A 49 14.278 4.803 -11.250 1.00 60.22 H new ATOM 0 HZ1 LYS A 49 15.561 4.905 -13.286 1.00 4.35 H new ATOM 0 HZ2 LYS A 49 14.290 3.792 -13.458 1.00 4.35 H new ATOM 0 HZ3 LYS A 49 14.181 5.325 -14.181 1.00 4.35 H new ATOM 764 N ILE A 50 7.317 5.383 -13.164 1.00 15.52 N ATOM 765 CA ILE A 50 5.970 5.393 -13.721 1.00 52.13 C ATOM 766 C ILE A 50 4.932 5.700 -12.647 1.00 2.42 C ATOM 767 O ILE A 50 3.845 6.195 -12.942 1.00 60.41 O ATOM 768 CB ILE A 50 5.624 4.045 -14.382 1.00 43.50 C ATOM 769 CG1 ILE A 50 5.501 2.949 -13.322 1.00 0.44 C ATOM 770 CG2 ILE A 50 6.680 3.676 -15.414 1.00 35.53 C ATOM 771 CD1 ILE A 50 4.071 2.622 -12.954 1.00 54.42 C ATOM 0 H ILE A 50 7.748 4.460 -13.117 1.00 15.52 H new ATOM 0 HA ILE A 50 5.948 6.177 -14.478 1.00 52.13 H new ATOM 0 HB ILE A 50 4.665 4.141 -14.890 1.00 43.50 H new ATOM 0 HG12 ILE A 50 5.989 2.045 -13.687 1.00 0.44 H new ATOM 0 HG13 ILE A 50 6.036 3.261 -12.425 1.00 0.44 H new ATOM 0 HG21 ILE A 50 6.422 2.721 -15.873 1.00 35.53 H new ATOM 0 HG22 ILE A 50 6.723 4.448 -16.182 1.00 35.53 H new ATOM 0 HG23 ILE A 50 7.652 3.594 -14.927 1.00 35.53 H new ATOM 0 HD11 ILE A 50 4.060 1.837 -12.198 1.00 54.42 H new ATOM 0 HD12 ILE A 50 3.584 3.513 -12.559 1.00 54.42 H new ATOM 0 HD13 ILE A 50 3.537 2.279 -13.840 1.00 54.42 H new ATOM 783 N GLY A 51 5.277 5.406 -11.397 1.00 22.40 N ATOM 784 CA GLY A 51 4.366 5.659 -10.296 1.00 74.35 C ATOM 785 C GLY A 51 4.660 6.966 -9.589 1.00 4.34 C ATOM 786 O GLY A 51 4.251 7.166 -8.445 1.00 62.14 O ATOM 0 H GLY A 51 6.172 4.997 -11.127 1.00 22.40 H new ATOM 0 HA2 GLY A 51 3.343 5.675 -10.671 1.00 74.35 H new ATOM 0 HA3 GLY A 51 4.430 4.840 -9.580 1.00 74.35 H new ATOM 790 N GLU A 52 5.374 7.858 -10.269 1.00 11.21 N ATOM 791 CA GLU A 52 5.725 9.152 -9.696 1.00 12.22 C ATOM 792 C GLU A 52 4.837 10.257 -10.262 1.00 31.23 C ATOM 793 O GLU A 52 4.609 11.279 -9.614 1.00 63.22 O ATOM 794 CB GLU A 52 7.195 9.474 -9.970 1.00 4.34 C ATOM 795 CG GLU A 52 7.588 10.893 -9.592 1.00 25.53 C ATOM 796 CD GLU A 52 9.079 11.138 -9.719 1.00 4.14 C ATOM 797 OE1 GLU A 52 9.830 10.715 -8.815 1.00 1.10 O ATOM 798 OE2 GLU A 52 9.495 11.754 -10.723 1.00 22.43 O ATOM 0 H GLU A 52 5.720 7.708 -11.217 1.00 11.21 H new ATOM 0 HA GLU A 52 5.567 9.098 -8.619 1.00 12.22 H new ATOM 0 HB2 GLU A 52 7.821 8.773 -9.417 1.00 4.34 H new ATOM 0 HB3 GLU A 52 7.401 9.319 -11.029 1.00 4.34 H new ATOM 0 HG2 GLU A 52 7.052 11.597 -10.229 1.00 25.53 H new ATOM 0 HG3 GLU A 52 7.277 11.091 -8.566 1.00 25.53 H new ATOM 805 N VAL A 53 4.338 10.044 -11.475 1.00 63.43 N ATOM 806 CA VAL A 53 3.475 11.020 -12.129 1.00 60.44 C ATOM 807 C VAL A 53 2.005 10.723 -11.856 1.00 53.32 C ATOM 808 O VAL A 53 1.609 9.582 -11.619 1.00 65.44 O ATOM 809 CB VAL A 53 3.708 11.044 -13.652 1.00 2.13 C ATOM 810 CG1 VAL A 53 5.180 11.270 -13.963 1.00 72.32 C ATOM 811 CG2 VAL A 53 3.212 9.754 -14.287 1.00 70.00 C ATOM 0 H VAL A 53 4.517 9.204 -12.025 1.00 63.43 H new ATOM 0 HA VAL A 53 3.729 11.996 -11.714 1.00 60.44 H new ATOM 0 HB VAL A 53 3.140 11.872 -14.076 1.00 2.13 H new ATOM 0 HG11 VAL A 53 5.326 11.284 -15.043 1.00 72.32 H new ATOM 0 HG12 VAL A 53 5.499 12.223 -13.541 1.00 72.32 H new ATOM 0 HG13 VAL A 53 5.772 10.465 -13.527 1.00 72.32 H new ATOM 0 HG21 VAL A 53 3.384 9.788 -15.363 1.00 70.00 H new ATOM 0 HG22 VAL A 53 3.750 8.908 -13.860 1.00 70.00 H new ATOM 0 HG23 VAL A 53 2.145 9.640 -14.094 1.00 70.00 H new ATOM 821 N PRO A 54 1.173 11.775 -11.890 1.00 0.13 N ATOM 822 CA PRO A 54 -0.268 11.653 -11.649 1.00 22.10 C ATOM 823 C PRO A 54 -0.985 10.925 -12.781 1.00 0.30 C ATOM 824 O PRO A 54 -0.425 10.688 -13.851 1.00 71.54 O ATOM 825 CB PRO A 54 -0.738 13.107 -11.566 1.00 11.25 C ATOM 826 CG PRO A 54 0.264 13.875 -12.357 1.00 12.35 C ATOM 827 CD PRO A 54 1.575 13.165 -12.166 1.00 21.53 C ATOM 0 HA PRO A 54 -0.484 11.069 -10.754 1.00 22.10 H new ATOM 0 HB2 PRO A 54 -1.741 13.223 -11.978 1.00 11.25 H new ATOM 0 HB3 PRO A 54 -0.776 13.452 -10.533 1.00 11.25 H new ATOM 0 HG2 PRO A 54 -0.012 13.907 -13.411 1.00 12.35 H new ATOM 0 HG3 PRO A 54 0.325 14.907 -12.012 1.00 12.35 H new ATOM 0 HD2 PRO A 54 2.202 13.233 -13.055 1.00 21.53 H new ATOM 0 HD3 PRO A 54 2.146 13.590 -11.340 1.00 21.53 H new ATOM 835 N PRO A 55 -2.254 10.563 -12.542 1.00 71.22 N ATOM 836 CA PRO A 55 -3.075 9.858 -13.531 1.00 34.23 C ATOM 837 C PRO A 55 -3.448 10.745 -14.713 1.00 53.24 C ATOM 838 O PRO A 55 -4.010 10.274 -15.702 1.00 61.14 O ATOM 839 CB PRO A 55 -4.326 9.468 -12.739 1.00 74.14 C ATOM 840 CG PRO A 55 -4.406 10.470 -11.640 1.00 34.44 C ATOM 841 CD PRO A 55 -2.985 10.814 -11.289 1.00 32.22 C ATOM 0 HA PRO A 55 -2.548 9.010 -13.968 1.00 34.23 H new ATOM 0 HB2 PRO A 55 -5.217 9.497 -13.367 1.00 74.14 H new ATOM 0 HB3 PRO A 55 -4.246 8.455 -12.346 1.00 74.14 H new ATOM 0 HG2 PRO A 55 -4.955 11.356 -11.959 1.00 34.44 H new ATOM 0 HG3 PRO A 55 -4.933 10.062 -10.778 1.00 34.44 H new ATOM 0 HD2 PRO A 55 -2.890 11.852 -10.969 1.00 32.22 H new ATOM 0 HD3 PRO A 55 -2.611 10.194 -10.474 1.00 32.22 H new ATOM 849 N ASP A 56 -3.132 12.031 -14.605 1.00 71.21 N ATOM 850 CA ASP A 56 -3.433 12.984 -15.667 1.00 3.21 C ATOM 851 C ASP A 56 -2.750 12.580 -16.970 1.00 23.14 C ATOM 852 O ASP A 56 -3.199 12.945 -18.056 1.00 31.24 O ATOM 853 CB ASP A 56 -2.990 14.390 -15.259 1.00 41.34 C ATOM 854 CG ASP A 56 -4.081 15.423 -15.464 1.00 61.11 C ATOM 855 OD1 ASP A 56 -4.591 15.530 -16.599 1.00 24.21 O ATOM 856 OD2 ASP A 56 -4.424 16.125 -14.490 1.00 33.13 O ATOM 0 H ASP A 56 -2.668 12.437 -13.793 1.00 71.21 H new ATOM 0 HA ASP A 56 -4.511 12.983 -15.828 1.00 3.21 H new ATOM 0 HB2 ASP A 56 -2.692 14.384 -14.211 1.00 41.34 H new ATOM 0 HB3 ASP A 56 -2.112 14.674 -15.839 1.00 41.34 H new ATOM 861 N GLN A 57 -1.662 11.826 -16.852 1.00 64.31 N ATOM 862 CA GLN A 57 -0.916 11.374 -18.021 1.00 20.11 C ATOM 863 C GLN A 57 -0.936 9.852 -18.125 1.00 1.54 C ATOM 864 O GLN A 57 -0.136 9.258 -18.849 1.00 54.54 O ATOM 865 CB GLN A 57 0.528 11.874 -17.955 1.00 63.41 C ATOM 866 CG GLN A 57 1.123 11.833 -16.557 1.00 22.52 C ATOM 867 CD GLN A 57 1.088 13.182 -15.868 1.00 13.34 C ATOM 868 OE1 GLN A 57 0.023 13.777 -15.696 1.00 42.04 O ATOM 869 NE2 GLN A 57 2.255 13.674 -15.467 1.00 74.24 N ATOM 0 H GLN A 57 -1.278 11.515 -15.960 1.00 64.31 H new ATOM 0 HA GLN A 57 -1.396 11.786 -18.909 1.00 20.11 H new ATOM 0 HB2 GLN A 57 1.144 11.269 -18.621 1.00 63.41 H new ATOM 0 HB3 GLN A 57 0.567 12.898 -18.327 1.00 63.41 H new ATOM 0 HG2 GLN A 57 0.576 11.107 -15.955 1.00 22.52 H new ATOM 0 HG3 GLN A 57 2.155 11.486 -16.615 1.00 22.52 H new ATOM 0 HE21 GLN A 57 3.113 13.148 -15.630 1.00 74.24 H new ATOM 0 HE22 GLN A 57 2.293 14.578 -14.996 1.00 74.24 H new ATOM 878 N LEU A 58 -1.854 9.227 -17.396 1.00 24.22 N ATOM 879 CA LEU A 58 -1.978 7.773 -17.405 1.00 42.33 C ATOM 880 C LEU A 58 -3.119 7.330 -18.315 1.00 51.31 C ATOM 881 O LEU A 58 -4.210 7.899 -18.280 1.00 75.12 O ATOM 882 CB LEU A 58 -2.210 7.252 -15.986 1.00 12.30 C ATOM 883 CG LEU A 58 -0.985 7.228 -15.071 1.00 73.20 C ATOM 884 CD1 LEU A 58 -1.355 6.689 -13.698 1.00 15.43 C ATOM 885 CD2 LEU A 58 0.127 6.394 -15.691 1.00 13.02 C ATOM 0 H LEU A 58 -2.523 9.704 -16.791 1.00 24.22 H new ATOM 0 HA LEU A 58 -1.048 7.356 -17.790 1.00 42.33 H new ATOM 0 HB2 LEU A 58 -2.978 7.867 -15.516 1.00 12.30 H new ATOM 0 HB3 LEU A 58 -2.609 6.240 -16.053 1.00 12.30 H new ATOM 0 HG LEU A 58 -0.624 8.249 -14.953 1.00 73.20 H new ATOM 0 HD11 LEU A 58 -0.471 6.679 -13.061 1.00 15.43 H new ATOM 0 HD12 LEU A 58 -2.118 7.326 -13.251 1.00 15.43 H new ATOM 0 HD13 LEU A 58 -1.742 5.675 -13.797 1.00 15.43 H new ATOM 0 HD21 LEU A 58 0.991 6.388 -15.026 1.00 13.02 H new ATOM 0 HD22 LEU A 58 -0.224 5.373 -15.840 1.00 13.02 H new ATOM 0 HD23 LEU A 58 0.411 6.823 -16.652 1.00 13.02 H new ATOM 897 N ASP A 59 -2.860 6.311 -19.127 1.00 0.12 N ATOM 898 CA ASP A 59 -3.866 5.789 -20.044 1.00 35.02 C ATOM 899 C ASP A 59 -4.505 4.521 -19.485 1.00 51.22 C ATOM 900 O ASP A 59 -4.059 3.984 -18.471 1.00 42.24 O ATOM 901 CB ASP A 59 -3.242 5.501 -21.410 1.00 51.10 C ATOM 902 CG ASP A 59 -4.215 5.727 -22.550 1.00 51.15 C ATOM 903 OD1 ASP A 59 -5.029 6.670 -22.458 1.00 71.03 O ATOM 904 OD2 ASP A 59 -4.162 4.962 -23.536 1.00 30.25 O ATOM 0 H ASP A 59 -1.961 5.830 -19.169 1.00 0.12 H new ATOM 0 HA ASP A 59 -4.643 6.545 -20.161 1.00 35.02 H new ATOM 0 HB2 ASP A 59 -2.369 6.139 -21.549 1.00 51.10 H new ATOM 0 HB3 ASP A 59 -2.890 4.470 -21.435 1.00 51.10 H new ATOM 909 N SER A 60 -5.553 4.049 -20.153 1.00 23.40 N ATOM 910 CA SER A 60 -6.256 2.847 -19.721 1.00 31.35 C ATOM 911 C SER A 60 -5.372 1.613 -19.879 1.00 52.32 C ATOM 912 O SER A 60 -5.403 0.704 -19.050 1.00 53.41 O ATOM 913 CB SER A 60 -7.547 2.669 -20.522 1.00 51.51 C ATOM 914 OG SER A 60 -7.296 2.738 -21.915 1.00 40.11 O ATOM 0 H SER A 60 -5.934 4.481 -20.995 1.00 23.40 H new ATOM 0 HA SER A 60 -6.504 2.962 -18.666 1.00 31.35 H new ATOM 0 HB2 SER A 60 -8.001 1.708 -20.278 1.00 51.51 H new ATOM 0 HB3 SER A 60 -8.263 3.441 -20.240 1.00 51.51 H new ATOM 0 HG SER A 60 -8.136 2.620 -22.405 1.00 40.11 H new ATOM 920 N GLN A 61 -4.586 1.591 -20.950 1.00 65.32 N ATOM 921 CA GLN A 61 -3.693 0.469 -21.219 1.00 13.05 C ATOM 922 C GLN A 61 -2.565 0.414 -20.194 1.00 62.11 C ATOM 923 O GLN A 61 -2.115 -0.665 -19.809 1.00 33.43 O ATOM 924 CB GLN A 61 -3.112 0.578 -22.629 1.00 55.24 C ATOM 925 CG GLN A 61 -2.795 -0.767 -23.262 1.00 44.13 C ATOM 926 CD GLN A 61 -2.193 -0.633 -24.647 1.00 54.44 C ATOM 927 OE1 GLN A 61 -1.014 -0.310 -24.797 1.00 15.25 O ATOM 928 NE2 GLN A 61 -3.002 -0.880 -25.671 1.00 35.52 N ATOM 0 H GLN A 61 -4.549 2.336 -21.645 1.00 65.32 H new ATOM 0 HA GLN A 61 -4.273 -0.451 -21.144 1.00 13.05 H new ATOM 0 HB2 GLN A 61 -3.819 1.111 -23.264 1.00 55.24 H new ATOM 0 HB3 GLN A 61 -2.202 1.177 -22.593 1.00 55.24 H new ATOM 0 HG2 GLN A 61 -2.103 -1.312 -22.620 1.00 44.13 H new ATOM 0 HG3 GLN A 61 -3.708 -1.360 -23.323 1.00 44.13 H new ATOM 0 HE21 GLN A 61 -3.972 -1.145 -25.502 1.00 35.52 H new ATOM 0 HE22 GLN A 61 -2.653 -0.805 -26.626 1.00 35.52 H new ATOM 937 N ASP A 62 -2.111 1.584 -19.758 1.00 34.35 N ATOM 938 CA ASP A 62 -1.035 1.669 -18.777 1.00 34.11 C ATOM 939 C ASP A 62 -1.346 0.813 -17.553 1.00 73.32 C ATOM 940 O ASP A 62 -0.449 0.223 -16.950 1.00 73.25 O ATOM 941 CB ASP A 62 -0.815 3.122 -18.355 1.00 40.50 C ATOM 942 CG ASP A 62 -0.042 3.915 -19.391 1.00 14.20 C ATOM 943 OD1 ASP A 62 -0.603 4.178 -20.475 1.00 41.13 O ATOM 944 OD2 ASP A 62 1.123 4.272 -19.118 1.00 30.03 O ATOM 0 H ASP A 62 -2.471 2.486 -20.068 1.00 34.35 H new ATOM 0 HA ASP A 62 -0.124 1.291 -19.240 1.00 34.11 H new ATOM 0 HB2 ASP A 62 -1.781 3.598 -18.184 1.00 40.50 H new ATOM 0 HB3 ASP A 62 -0.276 3.145 -17.408 1.00 40.50 H new ATOM 949 N LYS A 63 -2.623 0.750 -17.190 1.00 60.24 N ATOM 950 CA LYS A 63 -3.054 -0.034 -16.039 1.00 1.11 C ATOM 951 C LYS A 63 -2.817 -1.522 -16.274 1.00 61.32 C ATOM 952 O LYS A 63 -2.452 -2.256 -15.355 1.00 30.33 O ATOM 953 CB LYS A 63 -4.535 0.218 -15.750 1.00 75.01 C ATOM 954 CG LYS A 63 -4.897 1.691 -15.665 1.00 63.20 C ATOM 955 CD LYS A 63 -4.199 2.370 -14.498 1.00 71.42 C ATOM 956 CE LYS A 63 -4.975 3.586 -14.016 1.00 45.14 C ATOM 957 NZ LYS A 63 -4.895 4.714 -14.985 1.00 45.22 N ATOM 0 H LYS A 63 -3.378 1.233 -17.677 1.00 60.24 H new ATOM 0 HA LYS A 63 -2.464 0.278 -15.177 1.00 1.11 H new ATOM 0 HB2 LYS A 63 -5.134 -0.250 -16.532 1.00 75.01 H new ATOM 0 HB3 LYS A 63 -4.801 -0.267 -14.811 1.00 75.01 H new ATOM 0 HG2 LYS A 63 -4.621 2.189 -16.595 1.00 63.20 H new ATOM 0 HG3 LYS A 63 -5.976 1.796 -15.555 1.00 63.20 H new ATOM 0 HD2 LYS A 63 -4.086 1.661 -13.678 1.00 71.42 H new ATOM 0 HD3 LYS A 63 -3.196 2.673 -14.799 1.00 71.42 H new ATOM 0 HE2 LYS A 63 -6.019 3.313 -13.862 1.00 45.14 H new ATOM 0 HE3 LYS A 63 -4.584 3.908 -13.051 1.00 45.14 H new ATOM 0 HZ1 LYS A 63 -4.943 5.617 -14.471 1.00 45.22 H new ATOM 0 HZ2 LYS A 63 -3.997 4.660 -15.507 1.00 45.22 H new ATOM 0 HZ3 LYS A 63 -5.689 4.654 -15.654 1.00 45.22 H new ATOM 971 N LEU A 64 -3.025 -1.961 -17.511 1.00 21.55 N ATOM 972 CA LEU A 64 -2.832 -3.363 -17.867 1.00 51.22 C ATOM 973 C LEU A 64 -1.358 -3.747 -17.788 1.00 32.21 C ATOM 974 O LEU A 64 -1.021 -4.905 -17.542 1.00 31.24 O ATOM 975 CB LEU A 64 -3.365 -3.629 -19.276 1.00 52.11 C ATOM 976 CG LEU A 64 -4.810 -4.120 -19.365 1.00 74.42 C ATOM 977 CD1 LEU A 64 -5.780 -2.964 -19.177 1.00 31.25 C ATOM 978 CD2 LEU A 64 -5.057 -4.814 -20.697 1.00 42.43 C ATOM 0 H LEU A 64 -3.327 -1.367 -18.283 1.00 21.55 H new ATOM 0 HA LEU A 64 -3.386 -3.973 -17.154 1.00 51.22 H new ATOM 0 HB2 LEU A 64 -3.278 -2.710 -19.855 1.00 52.11 H new ATOM 0 HB3 LEU A 64 -2.721 -4.368 -19.753 1.00 52.11 H new ATOM 0 HG LEU A 64 -4.977 -4.841 -18.565 1.00 74.42 H new ATOM 0 HD11 LEU A 64 -6.803 -3.333 -19.244 1.00 31.25 H new ATOM 0 HD12 LEU A 64 -5.621 -2.511 -18.199 1.00 31.25 H new ATOM 0 HD13 LEU A 64 -5.612 -2.218 -19.954 1.00 31.25 H new ATOM 0 HD21 LEU A 64 -6.091 -5.157 -20.742 1.00 42.43 H new ATOM 0 HD22 LEU A 64 -4.871 -4.114 -21.512 1.00 42.43 H new ATOM 0 HD23 LEU A 64 -4.387 -5.668 -20.792 1.00 42.43 H new ATOM 990 N TRP A 65 -0.485 -2.768 -17.996 1.00 32.30 N ATOM 991 CA TRP A 65 0.953 -3.004 -17.946 1.00 4.12 C ATOM 992 C TRP A 65 1.416 -3.245 -16.513 1.00 52.20 C ATOM 993 O TRP A 65 2.292 -4.073 -16.265 1.00 10.51 O ATOM 994 CB TRP A 65 1.707 -1.815 -18.545 1.00 72.30 C ATOM 995 CG TRP A 65 3.195 -1.923 -18.403 1.00 50.22 C ATOM 996 CD1 TRP A 65 4.006 -2.865 -18.969 1.00 3.42 C ATOM 997 CD2 TRP A 65 4.048 -1.058 -17.645 1.00 62.32 C ATOM 998 NE1 TRP A 65 5.313 -2.638 -18.608 1.00 14.40 N ATOM 999 CE2 TRP A 65 5.365 -1.535 -17.797 1.00 40.11 C ATOM 1000 CE3 TRP A 65 3.828 0.073 -16.855 1.00 24.12 C ATOM 1001 CZ2 TRP A 65 6.454 -0.919 -17.186 1.00 63.14 C ATOM 1002 CZ3 TRP A 65 4.910 0.683 -16.249 1.00 65.31 C ATOM 1003 CH2 TRP A 65 6.210 0.187 -16.418 1.00 70.40 C ATOM 0 H TRP A 65 -0.748 -1.804 -18.201 1.00 32.30 H new ATOM 0 HA TRP A 65 1.170 -3.896 -18.533 1.00 4.12 H new ATOM 0 HB2 TRP A 65 1.455 -1.730 -19.602 1.00 72.30 H new ATOM 0 HB3 TRP A 65 1.369 -0.898 -18.062 1.00 72.30 H new ATOM 0 HD1 TRP A 65 3.670 -3.670 -19.606 1.00 3.42 H new ATOM 0 HE1 TRP A 65 6.114 -3.200 -18.897 1.00 14.40 H new ATOM 0 HE3 TRP A 65 2.830 0.464 -16.720 1.00 24.12 H new ATOM 0 HZ2 TRP A 65 7.456 -1.301 -17.314 1.00 63.14 H new ATOM 0 HZ3 TRP A 65 4.751 1.557 -15.635 1.00 65.31 H new ATOM 0 HH2 TRP A 65 7.035 0.687 -15.933 1.00 70.40 H new ATOM 1014 N ALA A 66 0.821 -2.517 -15.574 1.00 4.45 N ATOM 1015 CA ALA A 66 1.172 -2.654 -14.165 1.00 55.42 C ATOM 1016 C ALA A 66 0.934 -4.078 -13.676 1.00 73.35 C ATOM 1017 O ALA A 66 1.672 -4.587 -12.832 1.00 50.45 O ATOM 1018 CB ALA A 66 0.376 -1.666 -13.325 1.00 51.41 C ATOM 0 H ALA A 66 0.094 -1.827 -15.763 1.00 4.45 H new ATOM 0 HA ALA A 66 2.234 -2.434 -14.057 1.00 55.42 H new ATOM 0 HB1 ALA A 66 0.648 -1.779 -12.275 1.00 51.41 H new ATOM 0 HB2 ALA A 66 0.599 -0.650 -13.650 1.00 51.41 H new ATOM 0 HB3 ALA A 66 -0.690 -1.861 -13.447 1.00 51.41 H new ATOM 1024 N ASP A 67 -0.101 -4.717 -14.211 1.00 70.22 N ATOM 1025 CA ASP A 67 -0.436 -6.084 -13.829 1.00 60.24 C ATOM 1026 C ASP A 67 0.547 -7.076 -14.443 1.00 24.11 C ATOM 1027 O ASP A 67 0.875 -8.095 -13.836 1.00 32.21 O ATOM 1028 CB ASP A 67 -1.862 -6.424 -14.267 1.00 3.33 C ATOM 1029 CG ASP A 67 -2.178 -7.899 -14.116 1.00 44.23 C ATOM 1030 OD1 ASP A 67 -2.119 -8.405 -12.976 1.00 33.21 O ATOM 1031 OD2 ASP A 67 -2.484 -8.547 -15.139 1.00 11.24 O ATOM 0 H ASP A 67 -0.722 -4.310 -14.910 1.00 70.22 H new ATOM 0 HA ASP A 67 -0.370 -6.158 -12.744 1.00 60.24 H new ATOM 0 HB2 ASP A 67 -2.569 -5.842 -13.676 1.00 3.33 H new ATOM 0 HB3 ASP A 67 -1.999 -6.131 -15.308 1.00 3.33 H new ATOM 1036 N GLU A 68 1.013 -6.770 -15.650 1.00 23.32 N ATOM 1037 CA GLU A 68 1.958 -7.637 -16.345 1.00 55.24 C ATOM 1038 C GLU A 68 3.194 -7.894 -15.488 1.00 55.31 C ATOM 1039 O GLU A 68 3.799 -8.963 -15.557 1.00 21.43 O ATOM 1040 CB GLU A 68 2.370 -7.012 -17.680 1.00 11.42 C ATOM 1041 CG GLU A 68 1.269 -7.030 -18.727 1.00 13.14 C ATOM 1042 CD GLU A 68 1.075 -8.401 -19.346 1.00 10.54 C ATOM 1043 OE1 GLU A 68 2.033 -9.201 -19.324 1.00 21.53 O ATOM 1044 OE2 GLU A 68 -0.034 -8.672 -19.852 1.00 24.22 O ATOM 0 H GLU A 68 0.752 -5.930 -16.166 1.00 23.32 H new ATOM 0 HA GLU A 68 1.465 -8.590 -16.535 1.00 55.24 H new ATOM 0 HB2 GLU A 68 2.680 -5.981 -17.509 1.00 11.42 H new ATOM 0 HB3 GLU A 68 3.238 -7.545 -18.068 1.00 11.42 H new ATOM 0 HG2 GLU A 68 0.334 -6.706 -18.271 1.00 13.14 H new ATOM 0 HG3 GLU A 68 1.507 -6.312 -19.511 1.00 13.14 H new ATOM 1051 N VAL A 69 3.563 -6.904 -14.681 1.00 33.21 N ATOM 1052 CA VAL A 69 4.726 -7.022 -13.809 1.00 74.04 C ATOM 1053 C VAL A 69 4.427 -7.919 -12.613 1.00 44.12 C ATOM 1054 O VAL A 69 5.273 -8.706 -12.189 1.00 22.24 O ATOM 1055 CB VAL A 69 5.188 -5.644 -13.301 1.00 10.40 C ATOM 1056 CG1 VAL A 69 6.438 -5.782 -12.446 1.00 3.52 C ATOM 1057 CG2 VAL A 69 5.432 -4.700 -14.469 1.00 2.12 C ATOM 0 H VAL A 69 3.074 -6.012 -14.613 1.00 33.21 H new ATOM 0 HA VAL A 69 5.524 -7.468 -14.403 1.00 74.04 H new ATOM 0 HB VAL A 69 4.398 -5.221 -12.681 1.00 10.40 H new ATOM 0 HG11 VAL A 69 6.750 -4.798 -12.096 1.00 3.52 H new ATOM 0 HG12 VAL A 69 6.224 -6.421 -11.589 1.00 3.52 H new ATOM 0 HG13 VAL A 69 7.237 -6.226 -13.039 1.00 3.52 H new ATOM 0 HG21 VAL A 69 5.758 -3.731 -14.092 1.00 2.12 H new ATOM 0 HG22 VAL A 69 6.204 -5.115 -15.117 1.00 2.12 H new ATOM 0 HG23 VAL A 69 4.509 -4.577 -15.036 1.00 2.12 H new ATOM 1067 N ARG A 70 3.219 -7.794 -12.074 1.00 60.51 N ATOM 1068 CA ARG A 70 2.809 -8.594 -10.926 1.00 12.53 C ATOM 1069 C ARG A 70 2.615 -10.055 -11.321 1.00 41.52 C ATOM 1070 O ARG A 70 3.142 -10.958 -10.672 1.00 52.44 O ATOM 1071 CB ARG A 70 1.514 -8.040 -10.329 1.00 12.24 C ATOM 1072 CG ARG A 70 1.739 -6.976 -9.267 1.00 30.05 C ATOM 1073 CD ARG A 70 1.875 -5.593 -9.884 1.00 3.25 C ATOM 1074 NE ARG A 70 0.577 -5.007 -10.205 1.00 50.51 N ATOM 1075 CZ ARG A 70 -0.220 -4.446 -9.302 1.00 41.44 C ATOM 1076 NH1 ARG A 70 0.147 -4.395 -8.029 1.00 43.35 N ATOM 1077 NH2 ARG A 70 -1.387 -3.933 -9.673 1.00 23.44 N ATOM 0 H ARG A 70 2.507 -7.147 -12.413 1.00 60.51 H new ATOM 0 HA ARG A 70 3.599 -8.541 -10.177 1.00 12.53 H new ATOM 0 HB2 ARG A 70 0.906 -7.619 -11.130 1.00 12.24 H new ATOM 0 HB3 ARG A 70 0.944 -8.861 -9.894 1.00 12.24 H new ATOM 0 HG2 ARG A 70 0.907 -6.981 -8.563 1.00 30.05 H new ATOM 0 HG3 ARG A 70 2.639 -7.212 -8.699 1.00 30.05 H new ATOM 0 HD2 ARG A 70 2.407 -4.939 -9.193 1.00 3.25 H new ATOM 0 HD3 ARG A 70 2.477 -5.658 -10.790 1.00 3.25 H new ATOM 0 HE ARG A 70 0.265 -5.029 -11.176 1.00 50.51 H new ATOM 0 HH11 ARG A 70 1.043 -4.787 -7.741 1.00 43.35 H new ATOM 0 HH12 ARG A 70 -0.467 -3.964 -7.338 1.00 43.35 H new ATOM 0 HH21 ARG A 70 -1.672 -3.969 -10.652 1.00 23.44 H new ATOM 0 HH22 ARG A 70 -1.998 -3.502 -8.979 1.00 23.44 H new ATOM 1091 N GLU A 71 1.856 -10.277 -12.389 1.00 72.54 N ATOM 1092 CA GLU A 71 1.592 -11.629 -12.870 1.00 10.24 C ATOM 1093 C GLU A 71 2.895 -12.395 -13.081 1.00 34.13 C ATOM 1094 O GLU A 71 2.955 -13.608 -12.877 1.00 34.42 O ATOM 1095 CB GLU A 71 0.797 -11.584 -14.176 1.00 13.50 C ATOM 1096 CG GLU A 71 1.554 -10.945 -15.328 1.00 63.10 C ATOM 1097 CD GLU A 71 0.776 -10.980 -16.629 1.00 32.02 C ATOM 1098 OE1 GLU A 71 -0.236 -10.256 -16.733 1.00 52.54 O ATOM 1099 OE2 GLU A 71 1.178 -11.731 -17.542 1.00 32.35 O ATOM 0 H GLU A 71 1.413 -9.540 -12.937 1.00 72.54 H new ATOM 0 HA GLU A 71 1.004 -12.148 -12.113 1.00 10.24 H new ATOM 0 HB2 GLU A 71 0.516 -12.599 -14.456 1.00 13.50 H new ATOM 0 HB3 GLU A 71 -0.128 -11.032 -14.010 1.00 13.50 H new ATOM 0 HG2 GLU A 71 1.786 -9.910 -15.076 1.00 63.10 H new ATOM 0 HG3 GLU A 71 2.505 -11.461 -15.464 1.00 63.10 H new ATOM 1106 N LEU A 72 3.935 -11.679 -13.491 1.00 4.10 N ATOM 1107 CA LEU A 72 5.238 -12.290 -13.731 1.00 21.22 C ATOM 1108 C LEU A 72 5.785 -12.924 -12.456 1.00 22.11 C ATOM 1109 O LEU A 72 6.464 -13.950 -12.503 1.00 2.24 O ATOM 1110 CB LEU A 72 6.224 -11.246 -14.259 1.00 31.44 C ATOM 1111 CG LEU A 72 7.402 -11.786 -15.070 1.00 41.14 C ATOM 1112 CD1 LEU A 72 6.906 -12.555 -16.285 1.00 52.32 C ATOM 1113 CD2 LEU A 72 8.322 -10.650 -15.495 1.00 32.32 C ATOM 0 H LEU A 72 3.902 -10.674 -13.664 1.00 4.10 H new ATOM 0 HA LEU A 72 5.112 -13.073 -14.479 1.00 21.22 H new ATOM 0 HB2 LEU A 72 5.675 -10.538 -14.880 1.00 31.44 H new ATOM 0 HB3 LEU A 72 6.619 -10.686 -13.411 1.00 31.44 H new ATOM 0 HG LEU A 72 7.969 -12.470 -14.439 1.00 41.14 H new ATOM 0 HD11 LEU A 72 7.759 -12.932 -16.850 1.00 52.32 H new ATOM 0 HD12 LEU A 72 6.288 -13.392 -15.959 1.00 52.32 H new ATOM 0 HD13 LEU A 72 6.315 -11.893 -16.918 1.00 52.32 H new ATOM 0 HD21 LEU A 72 9.155 -11.053 -16.071 1.00 32.32 H new ATOM 0 HD22 LEU A 72 7.766 -9.941 -16.108 1.00 32.32 H new ATOM 0 HD23 LEU A 72 8.705 -10.142 -14.610 1.00 32.32 H new ATOM 1125 N SER A 73 5.483 -12.307 -11.318 1.00 21.42 N ATOM 1126 CA SER A 73 5.946 -12.810 -10.030 1.00 32.43 C ATOM 1127 C SER A 73 5.531 -14.265 -9.834 1.00 20.42 C ATOM 1128 O SER A 73 6.206 -15.027 -9.141 1.00 60.20 O ATOM 1129 CB SER A 73 5.388 -11.952 -8.893 1.00 1.31 C ATOM 1130 OG SER A 73 4.103 -12.400 -8.498 1.00 50.04 O ATOM 0 H SER A 73 4.920 -11.458 -11.262 1.00 21.42 H new ATOM 0 HA SER A 73 7.035 -12.755 -10.017 1.00 32.43 H new ATOM 0 HB2 SER A 73 6.066 -11.987 -8.041 1.00 1.31 H new ATOM 0 HB3 SER A 73 5.331 -10.912 -9.213 1.00 1.31 H new ATOM 0 HG SER A 73 3.430 -12.055 -9.122 1.00 50.04 H new ATOM 1136 N TYR A 74 4.416 -14.644 -10.449 1.00 2.22 N ATOM 1137 CA TYR A 74 3.909 -16.006 -10.341 1.00 74.50 C ATOM 1138 C TYR A 74 4.938 -17.013 -10.846 1.00 2.15 C ATOM 1139 O TYR A 74 5.031 -18.131 -10.339 1.00 74.21 O ATOM 1140 CB TYR A 74 2.607 -16.152 -11.131 1.00 71.21 C ATOM 1141 CG TYR A 74 1.458 -15.355 -10.557 1.00 34.02 C ATOM 1142 CD1 TYR A 74 1.224 -15.324 -9.187 1.00 40.24 C ATOM 1143 CD2 TYR A 74 0.605 -14.634 -11.383 1.00 73.13 C ATOM 1144 CE1 TYR A 74 0.175 -14.598 -8.658 1.00 52.51 C ATOM 1145 CE2 TYR A 74 -0.446 -13.904 -10.863 1.00 10.23 C ATOM 1146 CZ TYR A 74 -0.657 -13.889 -9.500 1.00 10.13 C ATOM 1147 OH TYR A 74 -1.704 -13.164 -8.977 1.00 45.14 O ATOM 0 H TYR A 74 3.846 -14.027 -11.028 1.00 2.22 H new ATOM 0 HA TYR A 74 3.713 -16.211 -9.288 1.00 74.50 H new ATOM 0 HB2 TYR A 74 2.779 -15.836 -12.160 1.00 71.21 H new ATOM 0 HB3 TYR A 74 2.327 -17.205 -11.163 1.00 71.21 H new ATOM 0 HD1 TYR A 74 1.874 -15.877 -8.525 1.00 40.24 H new ATOM 0 HD2 TYR A 74 0.766 -14.644 -12.451 1.00 73.13 H new ATOM 0 HE1 TYR A 74 0.007 -14.585 -7.591 1.00 52.51 H new ATOM 0 HE2 TYR A 74 -1.099 -13.348 -11.520 1.00 10.23 H new ATOM 0 HH TYR A 74 -2.191 -12.723 -9.704 1.00 45.14 H new ATOM 1157 N VAL A 75 5.712 -16.607 -11.847 1.00 53.53 N ATOM 1158 CA VAL A 75 6.737 -17.470 -12.421 1.00 33.43 C ATOM 1159 C VAL A 75 7.939 -17.588 -11.491 1.00 44.12 C ATOM 1160 O VAL A 75 8.580 -18.637 -11.418 1.00 42.15 O ATOM 1161 CB VAL A 75 7.209 -16.948 -13.790 1.00 44.23 C ATOM 1162 CG1 VAL A 75 8.127 -17.959 -14.460 1.00 71.33 C ATOM 1163 CG2 VAL A 75 6.017 -16.627 -14.678 1.00 75.54 C ATOM 0 H VAL A 75 5.648 -15.685 -12.278 1.00 53.53 H new ATOM 0 HA VAL A 75 6.286 -18.453 -12.553 1.00 33.43 H new ATOM 0 HB VAL A 75 7.774 -16.029 -13.633 1.00 44.23 H new ATOM 0 HG11 VAL A 75 8.450 -17.572 -15.426 1.00 71.33 H new ATOM 0 HG12 VAL A 75 8.998 -18.133 -13.829 1.00 71.33 H new ATOM 0 HG13 VAL A 75 7.591 -18.897 -14.605 1.00 71.33 H new ATOM 0 HG21 VAL A 75 6.370 -16.259 -15.642 1.00 75.54 H new ATOM 0 HG22 VAL A 75 5.423 -17.528 -14.829 1.00 75.54 H new ATOM 0 HG23 VAL A 75 5.403 -15.863 -14.201 1.00 75.54 H new ATOM 1173 N ILE A 76 8.240 -16.505 -10.782 1.00 70.21 N ATOM 1174 CA ILE A 76 9.365 -16.488 -9.856 1.00 1.55 C ATOM 1175 C ILE A 76 9.273 -17.636 -8.857 1.00 60.40 C ATOM 1176 O ILE A 76 10.290 -18.153 -8.396 1.00 20.12 O ATOM 1177 CB ILE A 76 9.438 -15.156 -9.084 1.00 64.52 C ATOM 1178 CG1 ILE A 76 9.559 -13.983 -10.059 1.00 20.12 C ATOM 1179 CG2 ILE A 76 10.611 -15.170 -8.115 1.00 50.20 C ATOM 1180 CD1 ILE A 76 9.547 -12.631 -9.381 1.00 11.10 C ATOM 0 H ILE A 76 7.721 -15.629 -10.831 1.00 70.21 H new ATOM 0 HA ILE A 76 10.268 -16.603 -10.455 1.00 1.55 H new ATOM 0 HB ILE A 76 8.519 -15.034 -8.510 1.00 64.52 H new ATOM 0 HG12 ILE A 76 10.483 -14.087 -10.627 1.00 20.12 H new ATOM 0 HG13 ILE A 76 8.738 -14.029 -10.774 1.00 20.12 H new ATOM 0 HG21 ILE A 76 10.650 -14.223 -7.577 1.00 50.20 H new ATOM 0 HG22 ILE A 76 10.486 -15.986 -7.404 1.00 50.20 H new ATOM 0 HG23 ILE A 76 11.539 -15.311 -8.669 1.00 50.20 H new ATOM 0 HD11 ILE A 76 9.636 -11.846 -10.132 1.00 11.10 H new ATOM 0 HD12 ILE A 76 8.612 -12.506 -8.835 1.00 11.10 H new ATOM 0 HD13 ILE A 76 10.384 -12.565 -8.686 1.00 11.10 H new ATOM 1192 N GLU A 77 8.047 -18.032 -8.529 1.00 52.34 N ATOM 1193 CA GLU A 77 7.823 -19.121 -7.586 1.00 54.20 C ATOM 1194 C GLU A 77 8.594 -20.369 -8.003 1.00 63.41 C ATOM 1195 O GLU A 77 9.079 -21.124 -7.159 1.00 53.41 O ATOM 1196 CB GLU A 77 6.329 -19.440 -7.487 1.00 64.10 C ATOM 1197 CG GLU A 77 5.602 -18.628 -6.428 1.00 62.24 C ATOM 1198 CD GLU A 77 5.441 -17.172 -6.819 1.00 10.22 C ATOM 1199 OE1 GLU A 77 6.461 -16.454 -6.868 1.00 43.31 O ATOM 1200 OE2 GLU A 77 4.294 -16.751 -7.075 1.00 55.43 O ATOM 0 H GLU A 77 7.194 -17.615 -8.902 1.00 52.34 H new ATOM 0 HA GLU A 77 8.185 -18.801 -6.609 1.00 54.20 H new ATOM 0 HB2 GLU A 77 5.863 -19.259 -8.455 1.00 64.10 H new ATOM 0 HB3 GLU A 77 6.206 -20.501 -7.267 1.00 64.10 H new ATOM 0 HG2 GLU A 77 4.619 -19.064 -6.252 1.00 62.24 H new ATOM 0 HG3 GLU A 77 6.150 -18.690 -5.488 1.00 62.24 H new ATOM 1207 N ASP A 78 8.704 -20.581 -9.310 1.00 12.20 N ATOM 1208 CA ASP A 78 9.417 -21.737 -9.840 1.00 74.24 C ATOM 1209 C ASP A 78 10.869 -21.741 -9.374 1.00 42.13 C ATOM 1210 O ASP A 78 11.484 -22.798 -9.236 1.00 43.32 O ATOM 1211 CB ASP A 78 9.358 -21.742 -11.369 1.00 5.02 C ATOM 1212 CG ASP A 78 7.985 -22.110 -11.895 1.00 0.03 C ATOM 1213 OD1 ASP A 78 7.032 -22.145 -11.089 1.00 54.13 O ATOM 1214 OD2 ASP A 78 7.864 -22.364 -13.112 1.00 13.14 O ATOM 0 H ASP A 78 8.308 -19.967 -10.022 1.00 12.20 H new ATOM 0 HA ASP A 78 8.932 -22.637 -9.462 1.00 74.24 H new ATOM 0 HB2 ASP A 78 9.635 -20.756 -11.743 1.00 5.02 H new ATOM 0 HB3 ASP A 78 10.093 -22.448 -11.756 1.00 5.02 H new ATOM 1219 N ALA A 79 11.411 -20.551 -9.134 1.00 64.45 N ATOM 1220 CA ALA A 79 12.791 -20.418 -8.683 1.00 51.32 C ATOM 1221 C ALA A 79 13.052 -21.279 -7.452 1.00 53.11 C ATOM 1222 O ALA A 79 13.997 -22.067 -7.422 1.00 73.43 O ATOM 1223 CB ALA A 79 13.110 -18.960 -8.387 1.00 44.13 C ATOM 0 H ALA A 79 10.916 -19.666 -9.244 1.00 64.45 H new ATOM 0 HA ALA A 79 13.444 -20.767 -9.483 1.00 51.32 H new ATOM 0 HB1 ALA A 79 14.143 -18.875 -8.051 1.00 44.13 H new ATOM 0 HB2 ALA A 79 12.972 -18.367 -9.291 1.00 44.13 H new ATOM 0 HB3 ALA A 79 12.443 -18.593 -7.607 1.00 44.13 H new ATOM 1229 N VAL A 80 12.208 -21.122 -6.437 1.00 22.54 N ATOM 1230 CA VAL A 80 12.347 -21.886 -5.202 1.00 64.25 C ATOM 1231 C VAL A 80 11.735 -23.275 -5.344 1.00 32.14 C ATOM 1232 O VAL A 80 12.157 -24.221 -4.679 1.00 32.42 O ATOM 1233 CB VAL A 80 11.683 -21.162 -4.016 1.00 61.24 C ATOM 1234 CG1 VAL A 80 10.173 -21.124 -4.192 1.00 52.42 C ATOM 1235 CG2 VAL A 80 12.058 -21.835 -2.704 1.00 44.45 C ATOM 0 H VAL A 80 11.421 -20.473 -6.445 1.00 22.54 H new ATOM 0 HA VAL A 80 13.415 -21.981 -5.007 1.00 64.25 H new ATOM 0 HB VAL A 80 12.048 -20.135 -3.989 1.00 61.24 H new ATOM 0 HG11 VAL A 80 9.721 -20.609 -3.345 1.00 52.42 H new ATOM 0 HG12 VAL A 80 9.927 -20.594 -5.112 1.00 52.42 H new ATOM 0 HG13 VAL A 80 9.787 -22.142 -4.246 1.00 52.42 H new ATOM 0 HG21 VAL A 80 11.580 -21.311 -1.876 1.00 44.45 H new ATOM 0 HG22 VAL A 80 11.723 -22.872 -2.718 1.00 44.45 H new ATOM 0 HG23 VAL A 80 13.140 -21.805 -2.576 1.00 44.45 H new ATOM 1245 N ASP A 81 10.738 -23.390 -6.214 1.00 13.02 N ATOM 1246 CA ASP A 81 10.067 -24.664 -6.444 1.00 71.22 C ATOM 1247 C ASP A 81 11.077 -25.756 -6.784 1.00 34.23 C ATOM 1248 O ASP A 81 10.839 -26.937 -6.530 1.00 72.45 O ATOM 1249 CB ASP A 81 9.044 -24.530 -7.573 1.00 13.50 C ATOM 1250 CG ASP A 81 7.912 -25.531 -7.451 1.00 13.52 C ATOM 1251 OD1 ASP A 81 7.140 -25.437 -6.473 1.00 44.24 O ATOM 1252 OD2 ASP A 81 7.798 -26.408 -8.332 1.00 74.31 O ATOM 0 H ASP A 81 10.376 -22.616 -6.772 1.00 13.02 H new ATOM 0 HA ASP A 81 9.549 -24.945 -5.527 1.00 71.22 H new ATOM 0 HB2 ASP A 81 8.634 -23.520 -7.570 1.00 13.50 H new ATOM 0 HB3 ASP A 81 9.545 -24.667 -8.531 1.00 13.50 H new ATOM 1257 N LYS A 82 12.204 -25.354 -7.360 1.00 3.23 N ATOM 1258 CA LYS A 82 13.251 -26.297 -7.735 1.00 3.34 C ATOM 1259 C LYS A 82 13.678 -27.141 -6.538 1.00 14.44 C ATOM 1260 O LYS A 82 14.072 -28.297 -6.690 1.00 2.14 O ATOM 1261 CB LYS A 82 14.460 -25.549 -8.302 1.00 23.25 C ATOM 1262 CG LYS A 82 14.168 -24.815 -9.599 1.00 0.14 C ATOM 1263 CD LYS A 82 13.946 -25.782 -10.749 1.00 75.30 C ATOM 1264 CE LYS A 82 15.246 -26.097 -11.472 1.00 22.42 C ATOM 1265 NZ LYS A 82 15.995 -27.201 -10.810 1.00 24.13 N ATOM 0 H LYS A 82 12.416 -24.380 -7.578 1.00 3.23 H new ATOM 0 HA LYS A 82 12.850 -26.961 -8.501 1.00 3.34 H new ATOM 0 HB2 LYS A 82 14.814 -24.832 -7.561 1.00 23.25 H new ATOM 0 HB3 LYS A 82 15.270 -26.259 -8.471 1.00 23.25 H new ATOM 0 HG2 LYS A 82 13.284 -24.189 -9.473 1.00 0.14 H new ATOM 0 HG3 LYS A 82 14.998 -24.150 -9.837 1.00 0.14 H new ATOM 0 HD2 LYS A 82 13.507 -26.705 -10.370 1.00 75.30 H new ATOM 0 HD3 LYS A 82 13.232 -25.354 -11.453 1.00 75.30 H new ATOM 0 HE2 LYS A 82 15.030 -26.373 -12.504 1.00 22.42 H new ATOM 0 HE3 LYS A 82 15.869 -25.203 -11.504 1.00 22.42 H new ATOM 0 HZ1 LYS A 82 16.572 -27.701 -11.516 1.00 24.13 H new ATOM 0 HZ2 LYS A 82 16.614 -26.807 -10.073 1.00 24.13 H new ATOM 0 HZ3 LYS A 82 15.323 -27.866 -10.378 1.00 24.13 H new ATOM 1279 N PHE A 83 13.594 -26.556 -5.347 1.00 43.43 N ATOM 1280 CA PHE A 83 13.971 -27.254 -4.124 1.00 21.30 C ATOM 1281 C PHE A 83 12.912 -28.283 -3.737 1.00 4.31 C ATOM 1282 O PHE A 83 13.224 -29.324 -3.158 1.00 64.31 O ATOM 1283 CB PHE A 83 14.170 -26.256 -2.982 1.00 0.22 C ATOM 1284 CG PHE A 83 14.902 -26.831 -1.803 1.00 73.31 C ATOM 1285 CD1 PHE A 83 14.283 -27.746 -0.966 1.00 62.44 C ATOM 1286 CD2 PHE A 83 16.208 -26.458 -1.532 1.00 41.21 C ATOM 1287 CE1 PHE A 83 14.954 -28.277 0.119 1.00 1.23 C ATOM 1288 CE2 PHE A 83 16.884 -26.985 -0.448 1.00 63.20 C ATOM 1289 CZ PHE A 83 16.257 -27.897 0.378 1.00 14.31 C ATOM 0 H PHE A 83 13.268 -25.600 -5.204 1.00 43.43 H new ATOM 0 HA PHE A 83 14.910 -27.776 -4.308 1.00 21.30 H new ATOM 0 HB2 PHE A 83 14.721 -25.393 -3.356 1.00 0.22 H new ATOM 0 HB3 PHE A 83 13.196 -25.894 -2.653 1.00 0.22 H new ATOM 0 HD1 PHE A 83 13.265 -28.047 -1.164 1.00 62.44 H new ATOM 0 HD2 PHE A 83 16.704 -25.747 -2.176 1.00 41.21 H new ATOM 0 HE1 PHE A 83 14.460 -28.989 0.764 1.00 1.23 H new ATOM 0 HE2 PHE A 83 17.902 -26.684 -0.247 1.00 63.20 H new ATOM 0 HZ PHE A 83 16.784 -28.312 1.224 1.00 14.31 H new ATOM 1299 N LEU A 84 11.659 -27.983 -4.060 1.00 2.21 N ATOM 1300 CA LEU A 84 10.553 -28.880 -3.746 1.00 74.12 C ATOM 1301 C LEU A 84 10.572 -30.107 -4.653 1.00 4.34 C ATOM 1302 O LEU A 84 9.820 -31.058 -4.444 1.00 32.43 O ATOM 1303 CB LEU A 84 9.218 -28.146 -3.891 1.00 63.20 C ATOM 1304 CG LEU A 84 9.117 -26.792 -3.188 1.00 21.44 C ATOM 1305 CD1 LEU A 84 7.789 -26.123 -3.507 1.00 3.03 C ATOM 1306 CD2 LEU A 84 9.285 -26.959 -1.684 1.00 40.53 C ATOM 0 H LEU A 84 11.384 -27.126 -4.539 1.00 2.21 H new ATOM 0 HA LEU A 84 10.669 -29.212 -2.714 1.00 74.12 H new ATOM 0 HB2 LEU A 84 9.021 -27.997 -4.953 1.00 63.20 H new ATOM 0 HB3 LEU A 84 8.428 -28.792 -3.508 1.00 63.20 H new ATOM 0 HG LEU A 84 9.920 -26.152 -3.555 1.00 21.44 H new ATOM 0 HD11 LEU A 84 7.735 -25.161 -2.998 1.00 3.03 H new ATOM 0 HD12 LEU A 84 7.708 -25.969 -4.583 1.00 3.03 H new ATOM 0 HD13 LEU A 84 6.971 -26.759 -3.169 1.00 3.03 H new ATOM 0 HD21 LEU A 84 9.210 -25.986 -1.199 1.00 40.53 H new ATOM 0 HD22 LEU A 84 8.504 -27.616 -1.301 1.00 40.53 H new ATOM 0 HD23 LEU A 84 10.261 -27.395 -1.473 1.00 40.53 H new ATOM 1318 N VAL A 85 11.440 -30.078 -5.659 1.00 60.43 N ATOM 1319 CA VAL A 85 11.561 -31.189 -6.596 1.00 73.10 C ATOM 1320 C VAL A 85 11.733 -32.513 -5.860 1.00 1.24 C ATOM 1321 O VAL A 85 11.330 -33.566 -6.353 1.00 32.33 O ATOM 1322 CB VAL A 85 12.750 -30.989 -7.554 1.00 50.41 C ATOM 1323 CG1 VAL A 85 14.067 -31.167 -6.815 1.00 3.41 C ATOM 1324 CG2 VAL A 85 12.655 -31.950 -8.729 1.00 54.34 C ATOM 0 H VAL A 85 12.070 -29.298 -5.846 1.00 60.43 H new ATOM 0 HA VAL A 85 10.638 -31.216 -7.175 1.00 73.10 H new ATOM 0 HB VAL A 85 12.713 -29.971 -7.943 1.00 50.41 H new ATOM 0 HG11 VAL A 85 14.896 -31.022 -7.508 1.00 3.41 H new ATOM 0 HG12 VAL A 85 14.135 -30.435 -6.010 1.00 3.41 H new ATOM 0 HG13 VAL A 85 14.116 -32.172 -6.396 1.00 3.41 H new ATOM 0 HG21 VAL A 85 13.503 -31.795 -9.396 1.00 54.34 H new ATOM 0 HG22 VAL A 85 12.665 -32.976 -8.362 1.00 54.34 H new ATOM 0 HG23 VAL A 85 11.728 -31.769 -9.273 1.00 54.34 H new ATOM 1334 N ARG A 86 12.334 -32.451 -4.676 1.00 65.20 N ATOM 1335 CA ARG A 86 12.561 -33.645 -3.871 1.00 60.41 C ATOM 1336 C ARG A 86 11.270 -34.099 -3.196 1.00 71.22 C ATOM 1337 O ARG A 86 10.817 -35.227 -3.394 1.00 54.41 O ATOM 1338 CB ARG A 86 13.635 -33.378 -2.815 1.00 33.14 C ATOM 1339 CG ARG A 86 15.051 -33.626 -3.309 1.00 15.41 C ATOM 1340 CD ARG A 86 16.063 -33.507 -2.181 1.00 2.33 C ATOM 1341 NE ARG A 86 17.298 -34.229 -2.475 1.00 71.11 N ATOM 1342 CZ ARG A 86 18.200 -33.814 -3.358 1.00 13.25 C ATOM 1343 NH1 ARG A 86 18.006 -32.687 -4.028 1.00 52.41 N ATOM 1344 NH2 ARG A 86 19.299 -34.526 -3.570 1.00 73.42 N ATOM 0 H ARG A 86 12.672 -31.587 -4.253 1.00 65.20 H new ATOM 0 HA ARG A 86 12.903 -34.440 -4.534 1.00 60.41 H new ATOM 0 HB2 ARG A 86 13.553 -32.344 -2.479 1.00 33.14 H new ATOM 0 HB3 ARG A 86 13.446 -34.011 -1.948 1.00 33.14 H new ATOM 0 HG2 ARG A 86 15.114 -34.620 -3.752 1.00 15.41 H new ATOM 0 HG3 ARG A 86 15.294 -32.910 -4.094 1.00 15.41 H new ATOM 0 HD2 ARG A 86 16.291 -32.455 -2.008 1.00 2.33 H new ATOM 0 HD3 ARG A 86 15.627 -33.895 -1.260 1.00 2.33 H new ATOM 0 HE ARG A 86 17.478 -35.100 -1.975 1.00 71.11 H new ATOM 0 HH11 ARG A 86 17.163 -32.136 -3.866 1.00 52.41 H new ATOM 0 HH12 ARG A 86 18.700 -32.370 -4.705 1.00 52.41 H new ATOM 0 HH21 ARG A 86 19.452 -35.393 -3.055 1.00 73.42 H new ATOM 0 HH22 ARG A 86 19.991 -34.207 -4.248 1.00 73.42 H new ATOM 1358 N VAL A 87 10.683 -33.213 -2.398 1.00 34.52 N ATOM 1359 CA VAL A 87 9.444 -33.522 -1.694 1.00 34.21 C ATOM 1360 C VAL A 87 8.334 -33.892 -2.671 1.00 53.14 C ATOM 1361 O VAL A 87 7.395 -34.608 -2.320 1.00 41.41 O ATOM 1362 CB VAL A 87 8.978 -32.335 -0.830 1.00 52.24 C ATOM 1363 CG1 VAL A 87 10.035 -31.979 0.203 1.00 5.40 C ATOM 1364 CG2 VAL A 87 8.651 -31.135 -1.707 1.00 24.02 C ATOM 0 H VAL A 87 11.045 -32.276 -2.223 1.00 34.52 H new ATOM 0 HA VAL A 87 9.652 -34.373 -1.046 1.00 34.21 H new ATOM 0 HB VAL A 87 8.071 -32.627 -0.300 1.00 52.24 H new ATOM 0 HG11 VAL A 87 9.688 -31.138 0.804 1.00 5.40 H new ATOM 0 HG12 VAL A 87 10.215 -32.838 0.850 1.00 5.40 H new ATOM 0 HG13 VAL A 87 10.961 -31.705 -0.303 1.00 5.40 H new ATOM 0 HG21 VAL A 87 8.323 -30.305 -1.081 1.00 24.02 H new ATOM 0 HG22 VAL A 87 9.539 -30.840 -2.265 1.00 24.02 H new ATOM 0 HG23 VAL A 87 7.856 -31.400 -2.404 1.00 24.02 H new ATOM 1374 N HIS A 88 8.447 -33.400 -3.901 1.00 43.20 N ATOM 1375 CA HIS A 88 7.453 -33.679 -4.931 1.00 63.42 C ATOM 1376 C HIS A 88 7.903 -34.835 -5.820 1.00 74.22 C ATOM 1377 O HIS A 88 7.105 -35.406 -6.563 1.00 64.12 O ATOM 1378 CB HIS A 88 7.205 -32.433 -5.782 1.00 31.33 C ATOM 1379 CG HIS A 88 6.443 -31.361 -5.065 1.00 62.21 C ATOM 1380 ND1 HIS A 88 6.521 -30.027 -5.406 1.00 34.24 N ATOM 1381 CD2 HIS A 88 5.584 -31.432 -4.022 1.00 32.32 C ATOM 1382 CE1 HIS A 88 5.743 -29.324 -4.602 1.00 22.03 C ATOM 1383 NE2 HIS A 88 5.163 -30.153 -3.753 1.00 31.21 N ATOM 0 H HIS A 88 9.217 -32.806 -4.208 1.00 43.20 H new ATOM 0 HA HIS A 88 6.524 -33.963 -4.437 1.00 63.42 H new ATOM 0 HB2 HIS A 88 8.163 -32.030 -6.109 1.00 31.33 H new ATOM 0 HB3 HIS A 88 6.657 -32.719 -6.680 1.00 31.33 H new ATOM 0 HD2 HIS A 88 5.285 -32.328 -3.498 1.00 32.32 H new ATOM 0 HE1 HIS A 88 5.605 -28.253 -4.634 1.00 22.03 H new ATOM 0 HE2 HIS A 88 4.509 -29.886 -3.017 1.00 31.21 H new ATOM 1391 N GLY A 89 9.186 -35.174 -5.739 1.00 33.23 N ATOM 1392 CA GLY A 89 9.719 -36.259 -6.542 1.00 33.34 C ATOM 1393 C GLY A 89 9.694 -35.949 -8.025 1.00 60.11 C ATOM 1394 O GLY A 89 9.770 -36.853 -8.857 1.00 75.32 O ATOM 0 H GLY A 89 9.866 -34.717 -5.132 1.00 33.23 H new ATOM 0 HA2 GLY A 89 10.744 -36.465 -6.234 1.00 33.34 H new ATOM 0 HA3 GLY A 89 9.142 -37.164 -6.353 1.00 33.34 H new ATOM 1398 N VAL A 90 9.586 -34.667 -8.358 1.00 44.24 N ATOM 1399 CA VAL A 90 9.551 -34.239 -9.752 1.00 22.41 C ATOM 1400 C VAL A 90 10.866 -34.553 -10.456 1.00 44.12 C ATOM 1401 O VAL A 90 11.929 -34.554 -9.836 1.00 12.15 O ATOM 1402 CB VAL A 90 9.266 -32.730 -9.869 1.00 73.30 C ATOM 1403 CG1 VAL A 90 9.070 -32.335 -11.325 1.00 32.32 C ATOM 1404 CG2 VAL A 90 8.050 -32.352 -9.037 1.00 75.41 C ATOM 0 H VAL A 90 9.521 -33.906 -7.682 1.00 44.24 H new ATOM 0 HA VAL A 90 8.744 -34.792 -10.233 1.00 22.41 H new ATOM 0 HB VAL A 90 10.126 -32.184 -9.482 1.00 73.30 H new ATOM 0 HG11 VAL A 90 8.870 -31.265 -11.388 1.00 32.32 H new ATOM 0 HG12 VAL A 90 9.972 -32.569 -11.890 1.00 32.32 H new ATOM 0 HG13 VAL A 90 8.227 -32.887 -11.742 1.00 32.32 H new ATOM 0 HG21 VAL A 90 7.863 -31.282 -9.131 1.00 75.41 H new ATOM 0 HG22 VAL A 90 7.180 -32.905 -9.392 1.00 75.41 H new ATOM 0 HG23 VAL A 90 8.234 -32.597 -7.991 1.00 75.41 H new ATOM 1414 N GLU A 91 10.787 -34.818 -11.756 1.00 75.25 N ATOM 1415 CA GLU A 91 11.972 -35.134 -12.545 1.00 53.42 C ATOM 1416 C GLU A 91 12.609 -33.864 -13.101 1.00 42.51 C ATOM 1417 O GLU A 91 11.948 -32.845 -13.306 1.00 21.30 O ATOM 1418 CB GLU A 91 11.611 -36.080 -13.692 1.00 22.40 C ATOM 1419 CG GLU A 91 10.692 -37.217 -13.277 1.00 12.31 C ATOM 1420 CD GLU A 91 10.897 -38.467 -14.110 1.00 54.14 C ATOM 1421 OE1 GLU A 91 11.880 -39.194 -13.856 1.00 34.20 O ATOM 1422 OE2 GLU A 91 10.075 -38.718 -15.016 1.00 40.35 O ATOM 0 H GLU A 91 9.915 -34.820 -12.285 1.00 75.25 H new ATOM 0 HA GLU A 91 12.692 -35.626 -11.891 1.00 53.42 H new ATOM 0 HB2 GLU A 91 11.131 -35.508 -14.486 1.00 22.40 H new ATOM 0 HB3 GLU A 91 12.527 -36.498 -14.109 1.00 22.40 H new ATOM 0 HG2 GLU A 91 10.864 -37.453 -12.227 1.00 12.31 H new ATOM 0 HG3 GLU A 91 9.655 -36.892 -13.366 1.00 12.31 H new ATOM 1429 N PRO A 92 13.926 -33.923 -13.351 1.00 33.33 N ATOM 1430 CA PRO A 92 14.682 -32.787 -13.886 1.00 23.42 C ATOM 1431 C PRO A 92 14.322 -32.482 -15.336 1.00 31.33 C ATOM 1432 O PRO A 92 14.146 -33.392 -16.146 1.00 74.11 O ATOM 1433 CB PRO A 92 16.138 -33.251 -13.783 1.00 13.53 C ATOM 1434 CG PRO A 92 16.065 -34.738 -13.814 1.00 70.23 C ATOM 1435 CD PRO A 92 14.777 -35.104 -13.130 1.00 70.42 C ATOM 0 HA PRO A 92 14.473 -31.866 -13.342 1.00 23.42 H new ATOM 0 HB2 PRO A 92 16.735 -32.867 -14.610 1.00 13.53 H new ATOM 0 HB3 PRO A 92 16.602 -32.897 -12.863 1.00 13.53 H new ATOM 0 HG2 PRO A 92 16.081 -35.108 -14.839 1.00 70.23 H new ATOM 0 HG3 PRO A 92 16.919 -35.181 -13.301 1.00 70.23 H new ATOM 0 HD2 PRO A 92 14.336 -36.003 -13.559 1.00 70.42 H new ATOM 0 HD3 PRO A 92 14.927 -35.298 -12.068 1.00 70.42 H new ATOM 1443 N ASP A 93 14.214 -31.198 -15.656 1.00 3.52 N ATOM 1444 CA ASP A 93 13.876 -30.772 -17.009 1.00 63.42 C ATOM 1445 C ASP A 93 14.165 -29.287 -17.200 1.00 43.23 C ATOM 1446 O ASP A 93 13.619 -28.442 -16.491 1.00 1.32 O ATOM 1447 CB ASP A 93 12.403 -31.060 -17.304 1.00 64.21 C ATOM 1448 CG ASP A 93 12.192 -32.433 -17.912 1.00 41.21 C ATOM 1449 OD1 ASP A 93 12.462 -32.594 -19.120 1.00 42.04 O ATOM 1450 OD2 ASP A 93 11.756 -33.346 -17.180 1.00 11.22 O ATOM 0 H ASP A 93 14.356 -30.433 -14.996 1.00 3.52 H new ATOM 0 HA ASP A 93 14.495 -31.336 -17.706 1.00 63.42 H new ATOM 0 HB2 ASP A 93 11.829 -30.982 -16.381 1.00 64.21 H new ATOM 0 HB3 ASP A 93 12.017 -30.301 -17.984 1.00 64.21 H new ATOM 1455 N ASP A 94 15.028 -28.976 -18.162 1.00 34.12 N ATOM 1456 CA ASP A 94 15.390 -27.592 -18.446 1.00 74.44 C ATOM 1457 C ASP A 94 14.739 -27.116 -19.741 1.00 52.32 C ATOM 1458 O ASP A 94 14.364 -25.951 -19.867 1.00 3.33 O ATOM 1459 CB ASP A 94 16.909 -27.450 -18.542 1.00 43.23 C ATOM 1460 CG ASP A 94 17.608 -27.811 -17.246 1.00 73.32 C ATOM 1461 OD1 ASP A 94 16.944 -27.787 -16.189 1.00 23.43 O ATOM 1462 OD2 ASP A 94 18.818 -28.117 -17.289 1.00 70.21 O ATOM 0 H ASP A 94 15.489 -29.663 -18.758 1.00 34.12 H new ATOM 0 HA ASP A 94 15.026 -26.971 -17.628 1.00 74.44 H new ATOM 0 HB2 ASP A 94 17.281 -28.090 -19.342 1.00 43.23 H new ATOM 0 HB3 ASP A 94 17.159 -26.424 -18.812 1.00 43.23 H new ATOM 1467 N ASN A 95 14.609 -28.025 -20.702 1.00 34.12 N ATOM 1468 CA ASN A 95 14.005 -27.697 -21.988 1.00 54.00 C ATOM 1469 C ASN A 95 12.560 -27.240 -21.810 1.00 31.31 C ATOM 1470 O ASN A 95 12.157 -26.200 -22.331 1.00 14.33 O ATOM 1471 CB ASN A 95 14.057 -28.907 -22.923 1.00 43.11 C ATOM 1472 CG ASN A 95 13.114 -28.768 -24.102 1.00 51.33 C ATOM 1473 OD1 ASN A 95 12.396 -29.705 -24.451 1.00 62.13 O ATOM 1474 ND2 ASN A 95 13.111 -27.593 -24.722 1.00 65.44 N ATOM 0 H ASN A 95 14.914 -28.994 -20.614 1.00 34.12 H new ATOM 0 HA ASN A 95 14.574 -26.879 -22.430 1.00 54.00 H new ATOM 0 HB2 ASN A 95 15.075 -29.036 -23.289 1.00 43.11 H new ATOM 0 HB3 ASN A 95 13.803 -29.807 -22.363 1.00 43.11 H new ATOM 0 HD21 ASN A 95 12.497 -27.440 -25.522 1.00 65.44 H new ATOM 0 HD22 ASN A 95 13.723 -26.844 -24.398 1.00 65.44 H new ATOM 1481 N THR A 96 11.784 -28.026 -21.069 1.00 54.45 N ATOM 1482 CA THR A 96 10.384 -27.703 -20.822 1.00 70.25 C ATOM 1483 C THR A 96 10.242 -26.329 -20.179 1.00 14.30 C ATOM 1484 O THR A 96 9.204 -25.680 -20.303 1.00 10.43 O ATOM 1485 CB THR A 96 9.717 -28.754 -19.915 1.00 1.02 C ATOM 1486 OG1 THR A 96 9.897 -30.063 -20.466 1.00 65.14 O ATOM 1487 CG2 THR A 96 8.232 -28.466 -19.754 1.00 61.01 C ATOM 0 H THR A 96 12.102 -28.890 -20.630 1.00 54.45 H new ATOM 0 HA THR A 96 9.884 -27.701 -21.791 1.00 70.25 H new ATOM 0 HB THR A 96 10.189 -28.706 -18.934 1.00 1.02 H new ATOM 0 HG1 THR A 96 9.471 -30.725 -19.882 1.00 65.14 H new ATOM 0 HG21 THR A 96 7.783 -29.221 -19.109 1.00 61.01 H new ATOM 0 HG22 THR A 96 8.099 -27.481 -19.306 1.00 61.01 H new ATOM 0 HG23 THR A 96 7.749 -28.489 -20.731 1.00 61.01 H new ATOM 1495 N ASN A 97 11.292 -25.890 -19.492 1.00 73.40 N ATOM 1496 CA ASN A 97 11.283 -24.592 -18.829 1.00 1.42 C ATOM 1497 C ASN A 97 10.920 -23.482 -19.811 1.00 14.24 C ATOM 1498 O ASN A 97 10.370 -22.452 -19.423 1.00 51.54 O ATOM 1499 CB ASN A 97 12.650 -24.306 -18.203 1.00 34.45 C ATOM 1500 CG ASN A 97 12.568 -23.303 -17.068 1.00 72.22 C ATOM 1501 OD1 ASN A 97 11.594 -22.559 -16.952 1.00 42.43 O ATOM 1502 ND2 ASN A 97 13.593 -23.279 -16.225 1.00 21.23 N ATOM 0 H ASN A 97 12.160 -26.415 -19.380 1.00 73.40 H new ATOM 0 HA ASN A 97 10.529 -24.619 -18.043 1.00 1.42 H new ATOM 0 HB2 ASN A 97 13.078 -25.237 -17.831 1.00 34.45 H new ATOM 0 HB3 ASN A 97 13.326 -23.928 -18.970 1.00 34.45 H new ATOM 0 HD21 ASN A 97 13.594 -22.625 -15.442 1.00 21.23 H new ATOM 0 HD22 ASN A 97 14.379 -23.914 -16.360 1.00 21.23 H new ATOM 1509 N GLY A 98 11.230 -23.701 -21.085 1.00 5.13 N ATOM 1510 CA GLY A 98 10.929 -22.711 -22.103 1.00 30.34 C ATOM 1511 C GLY A 98 11.564 -21.366 -21.810 1.00 33.43 C ATOM 1512 O GLY A 98 10.908 -20.329 -21.902 1.00 55.31 O ATOM 0 H GLY A 98 11.684 -24.546 -21.431 1.00 5.13 H new ATOM 0 HA2 GLY A 98 11.279 -23.071 -23.070 1.00 30.34 H new ATOM 0 HA3 GLY A 98 9.848 -22.590 -22.180 1.00 30.34 H new ATOM 1516 N PHE A 99 12.844 -21.383 -21.454 1.00 31.04 N ATOM 1517 CA PHE A 99 13.567 -20.155 -21.143 1.00 61.42 C ATOM 1518 C PHE A 99 13.419 -19.137 -22.270 1.00 64.42 C ATOM 1519 O PHE A 99 13.450 -17.928 -22.039 1.00 34.52 O ATOM 1520 CB PHE A 99 15.048 -20.457 -20.904 1.00 70.32 C ATOM 1521 CG PHE A 99 15.853 -19.247 -20.525 1.00 71.11 C ATOM 1522 CD1 PHE A 99 15.705 -18.663 -19.277 1.00 72.24 C ATOM 1523 CD2 PHE A 99 16.757 -18.693 -21.417 1.00 22.21 C ATOM 1524 CE1 PHE A 99 16.444 -17.550 -18.925 1.00 42.32 C ATOM 1525 CE2 PHE A 99 17.500 -17.580 -21.070 1.00 73.22 C ATOM 1526 CZ PHE A 99 17.342 -17.007 -19.823 1.00 61.04 C ATOM 0 H PHE A 99 13.402 -22.233 -21.374 1.00 31.04 H new ATOM 0 HA PHE A 99 13.139 -19.730 -20.235 1.00 61.42 H new ATOM 0 HB2 PHE A 99 15.136 -21.204 -20.115 1.00 70.32 H new ATOM 0 HB3 PHE A 99 15.471 -20.897 -21.807 1.00 70.32 H new ATOM 0 HD1 PHE A 99 15.004 -19.083 -18.571 1.00 72.24 H new ATOM 0 HD2 PHE A 99 16.883 -19.136 -22.394 1.00 22.21 H new ATOM 0 HE1 PHE A 99 16.320 -17.105 -17.949 1.00 42.32 H new ATOM 0 HE2 PHE A 99 18.203 -17.159 -21.773 1.00 73.22 H new ATOM 0 HZ PHE A 99 17.920 -16.136 -19.551 1.00 61.04 H new ATOM 1536 N LYS A 100 13.260 -19.635 -23.492 1.00 22.22 N ATOM 1537 CA LYS A 100 13.107 -18.772 -24.657 1.00 0.55 C ATOM 1538 C LYS A 100 11.991 -17.755 -24.437 1.00 42.01 C ATOM 1539 O LYS A 100 12.190 -16.553 -24.611 1.00 21.45 O ATOM 1540 CB LYS A 100 12.811 -19.609 -25.903 1.00 14.03 C ATOM 1541 CG LYS A 100 13.312 -18.980 -27.191 1.00 73.33 C ATOM 1542 CD LYS A 100 12.772 -19.706 -28.412 1.00 40.14 C ATOM 1543 CE LYS A 100 11.406 -19.174 -28.819 1.00 4.53 C ATOM 1544 NZ LYS A 100 11.516 -18.045 -29.784 1.00 12.32 N ATOM 0 H LYS A 100 13.234 -20.633 -23.701 1.00 22.22 H new ATOM 0 HA LYS A 100 14.043 -18.233 -24.804 1.00 0.55 H new ATOM 0 HB2 LYS A 100 13.267 -20.592 -25.787 1.00 14.03 H new ATOM 0 HB3 LYS A 100 11.735 -19.764 -25.979 1.00 14.03 H new ATOM 0 HG2 LYS A 100 13.012 -17.933 -27.227 1.00 73.33 H new ATOM 0 HG3 LYS A 100 14.402 -19.000 -27.207 1.00 73.33 H new ATOM 0 HD2 LYS A 100 13.470 -19.593 -29.242 1.00 40.14 H new ATOM 0 HD3 LYS A 100 12.700 -20.773 -28.200 1.00 40.14 H new ATOM 0 HE2 LYS A 100 10.821 -19.978 -29.266 1.00 4.53 H new ATOM 0 HE3 LYS A 100 10.866 -18.842 -27.932 1.00 4.53 H new ATOM 0 HZ1 LYS A 100 10.564 -17.710 -30.037 1.00 12.32 H new ATOM 0 HZ2 LYS A 100 12.052 -17.267 -29.349 1.00 12.32 H new ATOM 0 HZ3 LYS A 100 12.009 -18.368 -30.641 1.00 12.32 H new ATOM 1558 N GLY A 101 10.817 -18.246 -24.053 1.00 14.41 N ATOM 1559 CA GLY A 101 9.687 -17.366 -23.815 1.00 2.13 C ATOM 1560 C GLY A 101 9.727 -16.731 -22.439 1.00 1.20 C ATOM 1561 O GLY A 101 9.323 -15.580 -22.266 1.00 73.21 O ATOM 0 H GLY A 101 10.628 -19.237 -23.902 1.00 14.41 H new ATOM 0 HA2 GLY A 101 9.674 -16.583 -24.573 1.00 2.13 H new ATOM 0 HA3 GLY A 101 8.761 -17.931 -23.925 1.00 2.13 H new ATOM 1565 N LEU A 102 10.214 -17.481 -21.457 1.00 20.02 N ATOM 1566 CA LEU A 102 10.304 -16.985 -20.088 1.00 32.23 C ATOM 1567 C LEU A 102 11.189 -15.745 -20.015 1.00 15.22 C ATOM 1568 O LEU A 102 10.814 -14.738 -19.414 1.00 62.11 O ATOM 1569 CB LEU A 102 10.855 -18.074 -19.165 1.00 41.23 C ATOM 1570 CG LEU A 102 10.919 -17.724 -17.678 1.00 61.30 C ATOM 1571 CD1 LEU A 102 12.159 -16.896 -17.377 1.00 73.21 C ATOM 1572 CD2 LEU A 102 9.662 -16.981 -17.250 1.00 41.24 C ATOM 0 H LEU A 102 10.553 -18.435 -21.583 1.00 20.02 H new ATOM 0 HA LEU A 102 9.301 -16.713 -19.760 1.00 32.23 H new ATOM 0 HB2 LEU A 102 10.240 -18.966 -19.282 1.00 41.23 H new ATOM 0 HB3 LEU A 102 11.859 -18.333 -19.500 1.00 41.23 H new ATOM 0 HG LEU A 102 10.980 -18.651 -17.109 1.00 61.30 H new ATOM 0 HD11 LEU A 102 12.187 -16.656 -16.314 1.00 73.21 H new ATOM 0 HD12 LEU A 102 13.050 -17.464 -17.645 1.00 73.21 H new ATOM 0 HD13 LEU A 102 12.130 -15.973 -17.956 1.00 73.21 H new ATOM 0 HD21 LEU A 102 9.725 -16.740 -16.189 1.00 41.24 H new ATOM 0 HD22 LEU A 102 9.570 -16.060 -17.826 1.00 41.24 H new ATOM 0 HD23 LEU A 102 8.789 -17.610 -17.428 1.00 41.24 H new ATOM 1584 N MET A 103 12.363 -15.825 -20.632 1.00 53.42 N ATOM 1585 CA MET A 103 13.299 -14.707 -20.640 1.00 1.31 C ATOM 1586 C MET A 103 12.720 -13.518 -21.400 1.00 42.23 C ATOM 1587 O MET A 103 12.733 -12.388 -20.910 1.00 61.34 O ATOM 1588 CB MET A 103 14.628 -15.131 -21.268 1.00 52.04 C ATOM 1589 CG MET A 103 15.675 -14.029 -21.279 1.00 14.13 C ATOM 1590 SD MET A 103 16.513 -13.882 -22.868 1.00 61.01 S ATOM 1591 CE MET A 103 15.378 -12.816 -23.753 1.00 11.45 C ATOM 0 H MET A 103 12.689 -16.652 -21.133 1.00 53.42 H new ATOM 0 HA MET A 103 13.474 -14.405 -19.607 1.00 1.31 H new ATOM 0 HB2 MET A 103 15.021 -15.989 -20.722 1.00 52.04 H new ATOM 0 HB3 MET A 103 14.448 -15.460 -22.291 1.00 52.04 H new ATOM 0 HG2 MET A 103 15.200 -13.079 -21.034 1.00 14.13 H new ATOM 0 HG3 MET A 103 16.412 -14.226 -20.501 1.00 14.13 H new ATOM 0 HE1 MET A 103 15.852 -12.460 -24.668 1.00 11.45 H new ATOM 0 HE2 MET A 103 14.476 -13.374 -24.005 1.00 11.45 H new ATOM 0 HE3 MET A 103 15.115 -11.964 -23.126 1.00 11.45 H new ATOM 1601 N LYS A 104 12.213 -13.779 -22.600 1.00 41.14 N ATOM 1602 CA LYS A 104 11.628 -12.731 -23.429 1.00 24.21 C ATOM 1603 C LYS A 104 10.412 -12.113 -22.746 1.00 44.14 C ATOM 1604 O LYS A 104 10.070 -10.957 -22.996 1.00 33.11 O ATOM 1605 CB LYS A 104 11.228 -13.296 -24.794 1.00 3.31 C ATOM 1606 CG LYS A 104 11.454 -12.328 -25.942 1.00 43.33 C ATOM 1607 CD LYS A 104 12.934 -12.152 -26.241 1.00 31.13 C ATOM 1608 CE LYS A 104 13.554 -13.439 -26.764 1.00 15.04 C ATOM 1609 NZ LYS A 104 12.809 -13.977 -27.936 1.00 13.14 N ATOM 0 H LYS A 104 12.195 -14.708 -23.021 1.00 41.14 H new ATOM 0 HA LYS A 104 12.378 -11.953 -23.571 1.00 24.21 H new ATOM 0 HB2 LYS A 104 11.796 -14.208 -24.981 1.00 3.31 H new ATOM 0 HB3 LYS A 104 10.175 -13.576 -24.768 1.00 3.31 H new ATOM 0 HG2 LYS A 104 10.943 -12.693 -26.833 1.00 43.33 H new ATOM 0 HG3 LYS A 104 11.014 -11.361 -25.696 1.00 43.33 H new ATOM 0 HD2 LYS A 104 13.066 -11.358 -26.976 1.00 31.13 H new ATOM 0 HD3 LYS A 104 13.454 -11.838 -25.336 1.00 31.13 H new ATOM 0 HE2 LYS A 104 14.591 -13.254 -27.046 1.00 15.04 H new ATOM 0 HE3 LYS A 104 13.568 -14.185 -25.969 1.00 15.04 H new ATOM 0 HZ1 LYS A 104 13.396 -14.681 -28.427 1.00 13.14 H new ATOM 0 HZ2 LYS A 104 11.929 -14.425 -27.612 1.00 13.14 H new ATOM 0 HZ3 LYS A 104 12.582 -13.200 -28.589 1.00 13.14 H new ATOM 1623 N ARG A 105 9.765 -12.889 -21.884 1.00 22.54 N ATOM 1624 CA ARG A 105 8.588 -12.417 -21.165 1.00 73.41 C ATOM 1625 C ARG A 105 8.900 -11.141 -20.390 1.00 14.33 C ATOM 1626 O ARG A 105 8.065 -10.241 -20.292 1.00 12.42 O ATOM 1627 CB ARG A 105 8.081 -13.498 -20.208 1.00 3.45 C ATOM 1628 CG ARG A 105 6.607 -13.825 -20.383 1.00 44.13 C ATOM 1629 CD ARG A 105 6.299 -15.252 -19.958 1.00 62.01 C ATOM 1630 NE ARG A 105 6.453 -16.197 -21.061 1.00 35.00 N ATOM 1631 CZ ARG A 105 6.021 -17.452 -21.018 1.00 73.54 C ATOM 1632 NH1 ARG A 105 5.412 -17.911 -19.934 1.00 34.13 N ATOM 1633 NH2 ARG A 105 6.197 -18.252 -22.063 1.00 2.13 N ATOM 0 H ARG A 105 10.036 -13.848 -21.666 1.00 22.54 H new ATOM 0 HA ARG A 105 7.811 -12.196 -21.896 1.00 73.41 H new ATOM 0 HB2 ARG A 105 8.666 -14.406 -20.356 1.00 3.45 H new ATOM 0 HB3 ARG A 105 8.253 -13.172 -19.182 1.00 3.45 H new ATOM 0 HG2 ARG A 105 6.007 -13.131 -19.794 1.00 44.13 H new ATOM 0 HG3 ARG A 105 6.324 -13.686 -21.426 1.00 44.13 H new ATOM 0 HD2 ARG A 105 6.961 -15.538 -19.141 1.00 62.01 H new ATOM 0 HD3 ARG A 105 5.280 -15.304 -19.575 1.00 62.01 H new ATOM 0 HE ARG A 105 6.918 -15.876 -21.910 1.00 35.00 H new ATOM 0 HH11 ARG A 105 5.274 -17.300 -19.129 1.00 34.13 H new ATOM 0 HH12 ARG A 105 5.081 -18.876 -19.905 1.00 34.13 H new ATOM 0 HH21 ARG A 105 6.664 -17.903 -22.900 1.00 2.13 H new ATOM 0 HH22 ARG A 105 5.865 -19.216 -22.029 1.00 2.13 H new ATOM 1647 N THR A 106 10.107 -11.069 -19.839 1.00 5.01 N ATOM 1648 CA THR A 106 10.529 -9.904 -19.071 1.00 23.41 C ATOM 1649 C THR A 106 10.872 -8.736 -19.988 1.00 2.12 C ATOM 1650 O THR A 106 10.429 -7.608 -19.767 1.00 30.31 O ATOM 1651 CB THR A 106 11.751 -10.225 -18.189 1.00 35.53 C ATOM 1652 OG1 THR A 106 12.875 -10.558 -19.011 1.00 11.32 O ATOM 1653 CG2 THR A 106 11.448 -11.379 -17.245 1.00 33.15 C ATOM 0 H THR A 106 10.810 -11.804 -19.910 1.00 5.01 H new ATOM 0 HA THR A 106 9.691 -9.627 -18.431 1.00 23.41 H new ATOM 0 HB THR A 106 11.985 -9.341 -17.595 1.00 35.53 H new ATOM 0 HG1 THR A 106 12.694 -11.394 -19.489 1.00 11.32 H new ATOM 0 HG21 THR A 106 12.325 -11.588 -16.632 1.00 33.15 H new ATOM 0 HG22 THR A 106 10.611 -11.112 -16.601 1.00 33.15 H new ATOM 0 HG23 THR A 106 11.191 -12.266 -17.825 1.00 33.15 H new ATOM 1661 N THR A 107 11.664 -9.012 -21.019 1.00 41.45 N ATOM 1662 CA THR A 107 12.067 -7.983 -21.970 1.00 51.02 C ATOM 1663 C THR A 107 10.852 -7.299 -22.587 1.00 5.40 C ATOM 1664 O THR A 107 10.878 -6.100 -22.868 1.00 30.12 O ATOM 1665 CB THR A 107 12.939 -8.569 -23.097 1.00 33.45 C ATOM 1666 OG1 THR A 107 14.128 -9.146 -22.546 1.00 1.12 O ATOM 1667 CG2 THR A 107 13.311 -7.496 -24.108 1.00 13.53 C ATOM 0 H THR A 107 12.039 -9.940 -21.217 1.00 41.45 H new ATOM 0 HA THR A 107 12.651 -7.250 -21.413 1.00 51.02 H new ATOM 0 HB THR A 107 12.363 -9.341 -23.607 1.00 33.45 H new ATOM 0 HG1 THR A 107 14.676 -9.518 -23.268 1.00 1.12 H new ATOM 0 HG21 THR A 107 13.927 -7.934 -24.894 1.00 13.53 H new ATOM 0 HG22 THR A 107 12.404 -7.080 -24.547 1.00 13.53 H new ATOM 0 HG23 THR A 107 13.869 -6.704 -23.609 1.00 13.53 H new ATOM 1675 N LYS A 108 9.789 -8.067 -22.795 1.00 54.34 N ATOM 1676 CA LYS A 108 8.562 -7.535 -23.377 1.00 42.44 C ATOM 1677 C LYS A 108 8.092 -6.297 -22.619 1.00 63.32 C ATOM 1678 O LYS A 108 7.612 -5.334 -23.219 1.00 21.43 O ATOM 1679 CB LYS A 108 7.464 -8.600 -23.366 1.00 72.24 C ATOM 1680 CG LYS A 108 6.729 -8.730 -24.689 1.00 62.24 C ATOM 1681 CD LYS A 108 5.971 -7.459 -25.033 1.00 71.25 C ATOM 1682 CE LYS A 108 5.100 -7.646 -26.266 1.00 73.21 C ATOM 1683 NZ LYS A 108 5.054 -6.417 -27.105 1.00 11.42 N ATOM 0 H LYS A 108 9.752 -9.061 -22.569 1.00 54.34 H new ATOM 0 HA LYS A 108 8.773 -7.250 -24.408 1.00 42.44 H new ATOM 0 HB2 LYS A 108 7.906 -9.563 -23.109 1.00 72.24 H new ATOM 0 HB3 LYS A 108 6.745 -8.360 -22.583 1.00 72.24 H new ATOM 0 HG2 LYS A 108 7.442 -8.955 -25.482 1.00 62.24 H new ATOM 0 HG3 LYS A 108 6.033 -9.567 -24.639 1.00 62.24 H new ATOM 0 HD2 LYS A 108 5.349 -7.165 -24.188 1.00 71.25 H new ATOM 0 HD3 LYS A 108 6.678 -6.648 -25.205 1.00 71.25 H new ATOM 0 HE2 LYS A 108 5.484 -8.476 -26.859 1.00 73.21 H new ATOM 0 HE3 LYS A 108 4.089 -7.914 -25.959 1.00 73.21 H new ATOM 0 HZ1 LYS A 108 4.065 -6.124 -27.238 1.00 11.42 H new ATOM 0 HZ2 LYS A 108 5.580 -5.654 -26.633 1.00 11.42 H new ATOM 0 HZ3 LYS A 108 5.485 -6.613 -28.031 1.00 11.42 H new ATOM 1697 N LEU A 109 8.235 -6.329 -21.299 1.00 12.22 N ATOM 1698 CA LEU A 109 7.826 -5.209 -20.458 1.00 43.43 C ATOM 1699 C LEU A 109 8.847 -4.077 -20.525 1.00 30.11 C ATOM 1700 O LEU A 109 8.484 -2.900 -20.550 1.00 65.12 O ATOM 1701 CB LEU A 109 7.652 -5.669 -19.010 1.00 22.10 C ATOM 1702 CG LEU A 109 6.273 -6.216 -18.641 1.00 31.22 C ATOM 1703 CD1 LEU A 109 5.888 -7.361 -19.565 1.00 53.32 C ATOM 1704 CD2 LEU A 109 6.251 -6.671 -17.189 1.00 14.44 C ATOM 0 H LEU A 109 8.631 -7.118 -20.788 1.00 12.22 H new ATOM 0 HA LEU A 109 6.872 -4.836 -20.831 1.00 43.43 H new ATOM 0 HB2 LEU A 109 8.394 -6.440 -18.803 1.00 22.10 H new ATOM 0 HB3 LEU A 109 7.875 -4.828 -18.353 1.00 22.10 H new ATOM 0 HG LEU A 109 5.542 -5.416 -18.762 1.00 31.22 H new ATOM 0 HD11 LEU A 109 4.904 -7.738 -19.287 1.00 53.32 H new ATOM 0 HD12 LEU A 109 5.863 -7.005 -20.595 1.00 53.32 H new ATOM 0 HD13 LEU A 109 6.621 -8.163 -19.476 1.00 53.32 H new ATOM 0 HD21 LEU A 109 5.262 -7.057 -16.944 1.00 14.44 H new ATOM 0 HD22 LEU A 109 6.994 -7.455 -17.042 1.00 14.44 H new ATOM 0 HD23 LEU A 109 6.482 -5.827 -16.540 1.00 14.44 H new ATOM 1716 N LEU A 110 10.124 -4.441 -20.555 1.00 43.23 N ATOM 1717 CA LEU A 110 11.199 -3.456 -20.622 1.00 33.23 C ATOM 1718 C LEU A 110 11.153 -2.688 -21.939 1.00 13.14 C ATOM 1719 O LEU A 110 11.504 -1.509 -21.995 1.00 73.21 O ATOM 1720 CB LEU A 110 12.557 -4.143 -20.466 1.00 53.00 C ATOM 1721 CG LEU A 110 13.013 -4.410 -19.031 1.00 44.23 C ATOM 1722 CD1 LEU A 110 12.241 -5.575 -18.433 1.00 73.23 C ATOM 1723 CD2 LEU A 110 14.510 -4.682 -18.990 1.00 31.40 C ATOM 0 H LEU A 110 10.441 -5.410 -20.534 1.00 43.23 H new ATOM 0 HA LEU A 110 11.061 -2.748 -19.805 1.00 33.23 H new ATOM 0 HB2 LEU A 110 12.524 -5.094 -20.998 1.00 53.00 H new ATOM 0 HB3 LEU A 110 13.311 -3.528 -20.957 1.00 53.00 H new ATOM 0 HG LEU A 110 12.808 -3.522 -18.434 1.00 44.23 H new ATOM 0 HD11 LEU A 110 12.579 -5.750 -17.412 1.00 73.23 H new ATOM 0 HD12 LEU A 110 11.176 -5.341 -18.427 1.00 73.23 H new ATOM 0 HD13 LEU A 110 12.413 -6.470 -19.030 1.00 73.23 H new ATOM 0 HD21 LEU A 110 14.818 -4.870 -17.961 1.00 31.40 H new ATOM 0 HD22 LEU A 110 14.738 -5.555 -19.602 1.00 31.40 H new ATOM 0 HD23 LEU A 110 15.048 -3.817 -19.377 1.00 31.40 H new ATOM 1735 N LYS A 111 10.715 -3.363 -22.996 1.00 43.23 N ATOM 1736 CA LYS A 111 10.619 -2.744 -24.313 1.00 61.01 C ATOM 1737 C LYS A 111 9.350 -1.906 -24.429 1.00 73.31 C ATOM 1738 O LYS A 111 9.262 -1.005 -25.263 1.00 42.12 O ATOM 1739 CB LYS A 111 10.637 -3.816 -25.405 1.00 42.34 C ATOM 1740 CG LYS A 111 9.413 -4.714 -25.396 1.00 73.33 C ATOM 1741 CD LYS A 111 9.303 -5.520 -26.680 1.00 32.01 C ATOM 1742 CE LYS A 111 8.496 -4.779 -27.735 1.00 60.55 C ATOM 1743 NZ LYS A 111 9.335 -3.815 -28.500 1.00 21.35 N ATOM 0 H LYS A 111 10.421 -4.339 -22.967 1.00 43.23 H new ATOM 0 HA LYS A 111 11.480 -2.088 -24.442 1.00 61.01 H new ATOM 0 HB2 LYS A 111 10.714 -3.330 -26.378 1.00 42.34 H new ATOM 0 HB3 LYS A 111 11.529 -4.431 -25.284 1.00 42.34 H new ATOM 0 HG2 LYS A 111 9.464 -5.391 -24.543 1.00 73.33 H new ATOM 0 HG3 LYS A 111 8.516 -4.107 -25.268 1.00 73.33 H new ATOM 0 HD2 LYS A 111 10.301 -5.731 -27.065 1.00 32.01 H new ATOM 0 HD3 LYS A 111 8.833 -6.481 -26.469 1.00 32.01 H new ATOM 0 HE2 LYS A 111 8.051 -5.498 -28.423 1.00 60.55 H new ATOM 0 HE3 LYS A 111 7.675 -4.245 -27.256 1.00 60.55 H new ATOM 0 HZ1 LYS A 111 8.919 -3.664 -29.441 1.00 21.35 H new ATOM 0 HZ2 LYS A 111 9.376 -2.909 -27.990 1.00 21.35 H new ATOM 0 HZ3 LYS A 111 10.297 -4.198 -28.603 1.00 21.35 H new ATOM 1757 N LYS A 112 8.368 -2.208 -23.586 1.00 72.34 N ATOM 1758 CA LYS A 112 7.104 -1.482 -23.592 1.00 14.12 C ATOM 1759 C LYS A 112 7.226 -0.172 -22.820 1.00 15.03 C ATOM 1760 O LYS A 112 6.559 0.813 -23.139 1.00 32.54 O ATOM 1761 CB LYS A 112 5.994 -2.343 -22.984 1.00 23.12 C ATOM 1762 CG LYS A 112 4.817 -2.567 -23.917 1.00 43.24 C ATOM 1763 CD LYS A 112 4.915 -3.907 -24.627 1.00 44.44 C ATOM 1764 CE LYS A 112 3.552 -4.567 -24.763 1.00 12.22 C ATOM 1765 NZ LYS A 112 2.629 -3.764 -25.611 1.00 55.33 N ATOM 0 H LYS A 112 8.424 -2.951 -22.890 1.00 72.34 H new ATOM 0 HA LYS A 112 6.851 -1.252 -24.627 1.00 14.12 H new ATOM 0 HB2 LYS A 112 6.410 -3.309 -22.700 1.00 23.12 H new ATOM 0 HB3 LYS A 112 5.637 -1.868 -22.070 1.00 23.12 H new ATOM 0 HG2 LYS A 112 3.888 -2.522 -23.349 1.00 43.24 H new ATOM 0 HG3 LYS A 112 4.779 -1.765 -24.655 1.00 43.24 H new ATOM 0 HD2 LYS A 112 5.352 -3.765 -25.615 1.00 44.44 H new ATOM 0 HD3 LYS A 112 5.585 -4.565 -24.074 1.00 44.44 H new ATOM 0 HE2 LYS A 112 3.671 -5.560 -25.196 1.00 12.22 H new ATOM 0 HE3 LYS A 112 3.113 -4.701 -23.774 1.00 12.22 H new ATOM 0 HZ1 LYS A 112 1.728 -4.272 -25.721 1.00 55.33 H new ATOM 0 HZ2 LYS A 112 2.455 -2.844 -25.159 1.00 55.33 H new ATOM 0 HZ3 LYS A 112 3.058 -3.615 -26.546 1.00 55.33 H new ATOM 1779 N VAL A 113 8.082 -0.167 -21.804 1.00 5.35 N ATOM 1780 CA VAL A 113 8.294 1.023 -20.988 1.00 13.13 C ATOM 1781 C VAL A 113 9.284 1.975 -21.650 1.00 32.32 C ATOM 1782 O VAL A 113 9.128 3.194 -21.585 1.00 53.11 O ATOM 1783 CB VAL A 113 8.811 0.657 -19.584 1.00 31.40 C ATOM 1784 CG1 VAL A 113 10.137 -0.083 -19.679 1.00 74.15 C ATOM 1785 CG2 VAL A 113 8.948 1.904 -18.725 1.00 12.34 C ATOM 0 H VAL A 113 8.640 -0.974 -21.526 1.00 5.35 H new ATOM 0 HA VAL A 113 7.327 1.517 -20.893 1.00 13.13 H new ATOM 0 HB VAL A 113 8.086 -0.005 -19.110 1.00 31.40 H new ATOM 0 HG11 VAL A 113 10.487 -0.333 -18.677 1.00 74.15 H new ATOM 0 HG12 VAL A 113 10.002 -0.998 -20.256 1.00 74.15 H new ATOM 0 HG13 VAL A 113 10.873 0.552 -20.172 1.00 74.15 H new ATOM 0 HG21 VAL A 113 9.314 1.627 -17.737 1.00 12.34 H new ATOM 0 HG22 VAL A 113 9.652 2.593 -19.193 1.00 12.34 H new ATOM 0 HG23 VAL A 113 7.976 2.388 -18.629 1.00 12.34 H new ATOM 1795 N VAL A 114 10.304 1.409 -22.288 1.00 13.14 N ATOM 1796 CA VAL A 114 11.320 2.207 -22.964 1.00 33.22 C ATOM 1797 C VAL A 114 10.744 2.905 -24.190 1.00 55.24 C ATOM 1798 O VAL A 114 11.391 3.763 -24.791 1.00 25.23 O ATOM 1799 CB VAL A 114 12.518 1.341 -23.395 1.00 60.33 C ATOM 1800 CG1 VAL A 114 12.120 0.404 -24.526 1.00 24.23 C ATOM 1801 CG2 VAL A 114 13.689 2.220 -23.807 1.00 62.25 C ATOM 0 H VAL A 114 10.448 0.401 -22.351 1.00 13.14 H new ATOM 0 HA VAL A 114 11.661 2.956 -22.250 1.00 33.22 H new ATOM 0 HB VAL A 114 12.830 0.734 -22.545 1.00 60.33 H new ATOM 0 HG11 VAL A 114 12.979 -0.200 -24.817 1.00 24.23 H new ATOM 0 HG12 VAL A 114 11.314 -0.249 -24.191 1.00 24.23 H new ATOM 0 HG13 VAL A 114 11.781 0.989 -25.381 1.00 24.23 H new ATOM 0 HG21 VAL A 114 14.527 1.592 -24.109 1.00 62.25 H new ATOM 0 HG22 VAL A 114 13.392 2.854 -24.642 1.00 62.25 H new ATOM 0 HG23 VAL A 114 13.988 2.845 -22.966 1.00 62.25 H new ATOM 1811 N ASP A 115 9.522 2.533 -24.557 1.00 63.21 N ATOM 1812 CA ASP A 115 8.857 3.125 -25.712 1.00 31.50 C ATOM 1813 C ASP A 115 8.376 4.538 -25.397 1.00 61.40 C ATOM 1814 O ASP A 115 8.766 5.500 -26.059 1.00 74.21 O ATOM 1815 CB ASP A 115 7.676 2.256 -26.148 1.00 31.25 C ATOM 1816 CG ASP A 115 7.763 1.848 -27.605 1.00 44.32 C ATOM 1817 OD1 ASP A 115 8.820 1.320 -28.012 1.00 12.15 O ATOM 1818 OD2 ASP A 115 6.775 2.057 -28.339 1.00 63.24 O ATOM 0 H ASP A 115 8.972 1.824 -24.071 1.00 63.21 H new ATOM 0 HA ASP A 115 9.578 3.180 -26.527 1.00 31.50 H new ATOM 0 HB2 ASP A 115 7.637 1.362 -25.525 1.00 31.25 H new ATOM 0 HB3 ASP A 115 6.747 2.801 -25.981 1.00 31.25 H new ATOM 1823 N LYS A 116 7.526 4.655 -24.382 1.00 42.55 N ATOM 1824 CA LYS A 116 6.991 5.950 -23.978 1.00 42.34 C ATOM 1825 C LYS A 116 7.814 6.548 -22.841 1.00 52.04 C ATOM 1826 O LYS A 116 8.293 7.679 -22.936 1.00 71.51 O ATOM 1827 CB LYS A 116 5.530 5.809 -23.545 1.00 62.14 C ATOM 1828 CG LYS A 116 4.589 5.464 -24.686 1.00 75.40 C ATOM 1829 CD LYS A 116 3.948 4.100 -24.487 1.00 14.43 C ATOM 1830 CE LYS A 116 3.007 3.754 -25.631 1.00 13.25 C ATOM 1831 NZ LYS A 116 2.387 2.412 -25.452 1.00 13.11 N ATOM 0 H LYS A 116 7.193 3.869 -23.824 1.00 42.55 H new ATOM 0 HA LYS A 116 7.046 6.621 -24.835 1.00 42.34 H new ATOM 0 HB2 LYS A 116 5.459 5.036 -22.780 1.00 62.14 H new ATOM 0 HB3 LYS A 116 5.204 6.742 -23.086 1.00 62.14 H new ATOM 0 HG2 LYS A 116 3.812 6.225 -24.761 1.00 75.40 H new ATOM 0 HG3 LYS A 116 5.138 5.475 -25.628 1.00 75.40 H new ATOM 0 HD2 LYS A 116 4.725 3.339 -24.411 1.00 14.43 H new ATOM 0 HD3 LYS A 116 3.398 4.089 -23.546 1.00 14.43 H new ATOM 0 HE2 LYS A 116 2.224 4.510 -25.699 1.00 13.25 H new ATOM 0 HE3 LYS A 116 3.556 3.778 -26.573 1.00 13.25 H new ATOM 0 HZ1 LYS A 116 1.753 2.213 -26.252 1.00 13.11 H new ATOM 0 HZ2 LYS A 116 3.132 1.688 -25.413 1.00 13.11 H new ATOM 0 HZ3 LYS A 116 1.842 2.397 -24.566 1.00 13.11 H new ATOM 1845 N HIS A 117 7.975 5.782 -21.767 1.00 61.33 N ATOM 1846 CA HIS A 117 8.742 6.236 -20.613 1.00 22.54 C ATOM 1847 C HIS A 117 10.220 6.381 -20.965 1.00 34.11 C ATOM 1848 O HIS A 117 10.951 7.130 -20.319 1.00 41.22 O ATOM 1849 CB HIS A 117 8.577 5.258 -19.448 1.00 44.33 C ATOM 1850 CG HIS A 117 7.149 4.924 -19.145 1.00 24.15 C ATOM 1851 ND1 HIS A 117 6.437 5.520 -18.125 1.00 64.20 N ATOM 1852 CD2 HIS A 117 6.300 4.051 -19.734 1.00 71.42 C ATOM 1853 CE1 HIS A 117 5.212 5.026 -18.100 1.00 3.24 C ATOM 1854 NE2 HIS A 117 5.103 4.133 -19.066 1.00 71.04 N ATOM 0 H HIS A 117 7.585 4.844 -21.672 1.00 61.33 H new ATOM 0 HA HIS A 117 8.360 7.213 -20.315 1.00 22.54 H new ATOM 0 HB2 HIS A 117 9.116 4.339 -19.677 1.00 44.33 H new ATOM 0 HB3 HIS A 117 9.039 5.685 -18.558 1.00 44.33 H new ATOM 0 HD2 HIS A 117 6.522 3.409 -20.573 1.00 71.42 H new ATOM 0 HE1 HIS A 117 4.432 5.305 -17.407 1.00 3.24 H new ATOM 0 HE2 HIS A 117 4.266 3.592 -19.281 1.00 71.04 H new ATOM 1862 N GLY A 118 10.652 5.658 -21.994 1.00 32.02 N ATOM 1863 CA GLY A 118 12.040 5.720 -22.413 1.00 53.32 C ATOM 1864 C GLY A 118 12.969 5.010 -21.449 1.00 41.10 C ATOM 1865 O GLY A 118 14.190 5.055 -21.606 1.00 54.41 O ATOM 0 H GLY A 118 10.066 5.031 -22.545 1.00 32.02 H new ATOM 0 HA2 GLY A 118 12.138 5.273 -23.402 1.00 53.32 H new ATOM 0 HA3 GLY A 118 12.343 6.763 -22.503 1.00 53.32 H new ATOM 1869 N ILE A 119 12.392 4.354 -20.448 1.00 52.02 N ATOM 1870 CA ILE A 119 13.177 3.632 -19.455 1.00 3.21 C ATOM 1871 C ILE A 119 14.179 2.695 -20.121 1.00 42.52 C ATOM 1872 O ILE A 119 13.802 1.676 -20.698 1.00 25.20 O ATOM 1873 CB ILE A 119 12.276 2.814 -18.511 1.00 4.33 C ATOM 1874 CG1 ILE A 119 11.421 3.747 -17.652 1.00 13.55 C ATOM 1875 CG2 ILE A 119 13.120 1.902 -17.633 1.00 35.33 C ATOM 1876 CD1 ILE A 119 12.230 4.618 -16.716 1.00 15.33 C ATOM 0 H ILE A 119 11.383 4.308 -20.303 1.00 52.02 H new ATOM 0 HA ILE A 119 13.714 4.381 -18.873 1.00 3.21 H new ATOM 0 HB ILE A 119 11.611 2.194 -19.113 1.00 4.33 H new ATOM 0 HG12 ILE A 119 10.826 4.385 -18.305 1.00 13.55 H new ATOM 0 HG13 ILE A 119 10.722 3.150 -17.066 1.00 13.55 H new ATOM 0 HG21 ILE A 119 12.470 1.330 -16.971 1.00 35.33 H new ATOM 0 HG22 ILE A 119 13.690 1.218 -18.261 1.00 35.33 H new ATOM 0 HG23 ILE A 119 13.806 2.504 -17.037 1.00 35.33 H new ATOM 0 HD11 ILE A 119 11.558 5.253 -16.139 1.00 15.33 H new ATOM 0 HD12 ILE A 119 12.805 3.987 -16.038 1.00 15.33 H new ATOM 0 HD13 ILE A 119 12.910 5.242 -17.296 1.00 15.33 H new ATOM 1888 N ALA A 120 15.458 3.048 -20.036 1.00 12.11 N ATOM 1889 CA ALA A 120 16.515 2.237 -20.627 1.00 51.11 C ATOM 1890 C ALA A 120 17.755 2.221 -19.740 1.00 62.41 C ATOM 1891 O ALA A 120 18.032 3.185 -19.026 1.00 1.12 O ATOM 1892 CB ALA A 120 16.863 2.754 -22.015 1.00 41.20 C ATOM 0 H ALA A 120 15.787 3.890 -19.564 1.00 12.11 H new ATOM 0 HA ALA A 120 16.149 1.214 -20.714 1.00 51.11 H new ATOM 0 HB1 ALA A 120 17.654 2.139 -22.445 1.00 41.20 H new ATOM 0 HB2 ALA A 120 15.980 2.707 -22.653 1.00 41.20 H new ATOM 0 HB3 ALA A 120 17.205 3.787 -21.944 1.00 41.20 H new TER 1898 ALA A 120