USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=20 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 108 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.046) USER MOD Set 1.2: A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 103 MET CE :methyl -132:sc= -0.266 (180deg=-0.431) USER MOD Set 2.2: A 106 THR OG1 : rot -33:sc= -0.142 USER MOD Single : A 3 SER OG : rot 31:sc= 0.0183 USER MOD Single : A 4 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.16) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00616) USER MOD Single : A 23 TYR OH : rot -174:sc= -0.98 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.165 X(o=-0.16,f=-0.33) USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0413) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= -0.292 (180deg=-0.292) USER MOD Single : A 32 ASN : amide:sc= -0.046 X(o=-0.046,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -156:sc=-0.000605 (180deg=-0.18) USER MOD Single : A 42 THR OG1 : rot -11:sc= 0.182 USER MOD Single : A 43 MET CE :methyl -154:sc= 0 (180deg=-0.213) USER MOD Single : A 44 ASN :FLIP amide:sc=-0.00208 F(o=-1.9!,f=-0.0021) USER MOD Single : A 49 LYS NZ :NH3+ -167:sc=-0.00437 (180deg=-0.1) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0863 K(o=-0.086,f=-1.6!) USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0419) USER MOD Single : A 73 SER OG : rot 170:sc= -1.1 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -165:sc= -0.709 (180deg=-1.11) USER MOD Single : A 88 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.045) USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -153:sc= 0.0426 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-2.8) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 3.618 -1.066 0.631 1.00 11.13 N ATOM 2 CA SER A 3 3.130 -0.328 -0.528 1.00 34.31 C ATOM 3 C SER A 3 2.150 -1.173 -1.336 1.00 72.43 C ATOM 4 O SER A 3 2.109 -2.395 -1.201 1.00 61.41 O ATOM 5 CB SER A 3 4.300 0.104 -1.414 1.00 34.11 C ATOM 6 OG SER A 3 5.137 1.026 -0.738 1.00 65.34 O ATOM 0 HA SER A 3 2.608 0.560 -0.170 1.00 34.31 H new ATOM 0 HB2 SER A 3 4.880 -0.771 -1.708 1.00 34.11 H new ATOM 0 HB3 SER A 3 3.919 0.557 -2.330 1.00 34.11 H new ATOM 0 HG SER A 3 5.126 0.834 0.223 1.00 65.34 H new ATOM 12 N ASN A 4 1.361 -0.512 -2.177 1.00 44.22 N ATOM 13 CA ASN A 4 0.381 -1.201 -3.008 1.00 15.02 C ATOM 14 C ASN A 4 1.056 -2.239 -3.899 1.00 52.44 C ATOM 15 O ASN A 4 0.460 -3.260 -4.242 1.00 2.52 O ATOM 16 CB ASN A 4 -0.387 -0.195 -3.868 1.00 70.10 C ATOM 17 CG ASN A 4 0.373 0.191 -5.123 1.00 15.14 C ATOM 18 OD1 ASN A 4 0.006 -0.203 -6.230 1.00 14.13 O ATOM 19 ND2 ASN A 4 1.438 0.966 -4.954 1.00 72.21 N ATOM 0 H ASN A 4 1.381 0.500 -2.301 1.00 44.22 H new ATOM 0 HA ASN A 4 -0.319 -1.715 -2.350 1.00 15.02 H new ATOM 0 HB2 ASN A 4 -1.351 -0.620 -4.147 1.00 70.10 H new ATOM 0 HB3 ASN A 4 -0.591 0.700 -3.280 1.00 70.10 H new ATOM 0 HD21 ASN A 4 1.989 1.259 -5.761 1.00 72.21 H new ATOM 0 HD22 ASN A 4 1.705 1.269 -4.017 1.00 72.21 H new ATOM 26 N ALA A 5 2.303 -1.969 -4.271 1.00 61.42 N ATOM 27 CA ALA A 5 3.061 -2.880 -5.120 1.00 75.43 C ATOM 28 C ALA A 5 4.107 -3.642 -4.313 1.00 54.50 C ATOM 29 O ALA A 5 5.011 -4.257 -4.875 1.00 22.50 O ATOM 30 CB ALA A 5 3.722 -2.115 -6.257 1.00 22.22 C ATOM 0 H ALA A 5 2.810 -1.127 -3.998 1.00 61.42 H new ATOM 0 HA ALA A 5 2.366 -3.607 -5.541 1.00 75.43 H new ATOM 0 HB1 ALA A 5 4.285 -2.808 -6.883 1.00 22.22 H new ATOM 0 HB2 ALA A 5 2.957 -1.623 -6.857 1.00 22.22 H new ATOM 0 HB3 ALA A 5 4.399 -1.366 -5.846 1.00 22.22 H new ATOM 36 N GLY A 6 3.977 -3.594 -2.991 1.00 32.05 N ATOM 37 CA GLY A 6 4.919 -4.283 -2.128 1.00 14.35 C ATOM 38 C GLY A 6 5.049 -5.754 -2.469 1.00 13.14 C ATOM 39 O GLY A 6 6.076 -6.373 -2.194 1.00 20.13 O ATOM 0 H GLY A 6 3.237 -3.091 -2.502 1.00 32.05 H new ATOM 0 HA2 GLY A 6 5.896 -3.807 -2.209 1.00 14.35 H new ATOM 0 HA3 GLY A 6 4.599 -4.181 -1.091 1.00 14.35 H new ATOM 43 N ALA A 7 4.004 -6.315 -3.068 1.00 32.42 N ATOM 44 CA ALA A 7 4.006 -7.723 -3.447 1.00 10.11 C ATOM 45 C ALA A 7 5.065 -8.004 -4.507 1.00 25.31 C ATOM 46 O ALA A 7 5.704 -9.057 -4.495 1.00 61.12 O ATOM 47 CB ALA A 7 2.631 -8.136 -3.950 1.00 33.13 C ATOM 0 H ALA A 7 3.145 -5.816 -3.301 1.00 32.42 H new ATOM 0 HA ALA A 7 4.249 -8.312 -2.562 1.00 10.11 H new ATOM 0 HB1 ALA A 7 2.647 -9.189 -4.229 1.00 33.13 H new ATOM 0 HB2 ALA A 7 1.894 -7.981 -3.162 1.00 33.13 H new ATOM 0 HB3 ALA A 7 2.366 -7.534 -4.819 1.00 33.13 H new ATOM 53 N ILE A 8 5.246 -7.058 -5.422 1.00 4.13 N ATOM 54 CA ILE A 8 6.229 -7.205 -6.488 1.00 41.12 C ATOM 55 C ILE A 8 7.648 -7.029 -5.957 1.00 15.21 C ATOM 56 O ILE A 8 8.584 -7.669 -6.434 1.00 50.44 O ATOM 57 CB ILE A 8 5.987 -6.189 -7.620 1.00 62.35 C ATOM 58 CG1 ILE A 8 4.572 -6.344 -8.180 1.00 15.10 C ATOM 59 CG2 ILE A 8 7.021 -6.369 -8.722 1.00 53.35 C ATOM 60 CD1 ILE A 8 3.579 -5.367 -7.590 1.00 35.43 C ATOM 0 H ILE A 8 4.725 -6.182 -5.447 1.00 4.13 H new ATOM 0 HA ILE A 8 6.115 -8.214 -6.885 1.00 41.12 H new ATOM 0 HB ILE A 8 6.088 -5.183 -7.213 1.00 62.35 H new ATOM 0 HG12 ILE A 8 4.601 -6.211 -9.262 1.00 15.10 H new ATOM 0 HG13 ILE A 8 4.225 -7.360 -7.993 1.00 15.10 H new ATOM 0 HG21 ILE A 8 6.837 -5.644 -9.515 1.00 53.35 H new ATOM 0 HG22 ILE A 8 8.019 -6.214 -8.313 1.00 53.35 H new ATOM 0 HG23 ILE A 8 6.948 -7.378 -9.128 1.00 53.35 H new ATOM 0 HD11 ILE A 8 2.597 -5.534 -8.033 1.00 35.43 H new ATOM 0 HD12 ILE A 8 3.521 -5.514 -6.512 1.00 35.43 H new ATOM 0 HD13 ILE A 8 3.903 -4.348 -7.800 1.00 35.43 H new ATOM 72 N ALA A 9 7.798 -6.158 -4.964 1.00 51.35 N ATOM 73 CA ALA A 9 9.101 -5.900 -4.365 1.00 63.11 C ATOM 74 C ALA A 9 9.589 -7.108 -3.572 1.00 43.22 C ATOM 75 O ALA A 9 10.792 -7.348 -3.464 1.00 60.23 O ATOM 76 CB ALA A 9 9.037 -4.670 -3.471 1.00 64.34 C ATOM 0 H ALA A 9 7.033 -5.619 -4.558 1.00 51.35 H new ATOM 0 HA ALA A 9 9.813 -5.714 -5.169 1.00 63.11 H new ATOM 0 HB1 ALA A 9 10.017 -4.489 -3.030 1.00 64.34 H new ATOM 0 HB2 ALA A 9 8.740 -3.805 -4.064 1.00 64.34 H new ATOM 0 HB3 ALA A 9 8.307 -4.834 -2.678 1.00 64.34 H new ATOM 82 N LYS A 10 8.649 -7.865 -3.018 1.00 32.11 N ATOM 83 CA LYS A 10 8.982 -9.049 -2.235 1.00 20.02 C ATOM 84 C LYS A 10 9.633 -10.115 -3.110 1.00 44.12 C ATOM 85 O LYS A 10 10.217 -11.075 -2.606 1.00 70.30 O ATOM 86 CB LYS A 10 7.726 -9.617 -1.571 1.00 75.00 C ATOM 87 CG LYS A 10 7.431 -9.012 -0.209 1.00 72.42 C ATOM 88 CD LYS A 10 8.446 -9.457 0.830 1.00 62.20 C ATOM 89 CE LYS A 10 8.219 -8.763 2.164 1.00 43.51 C ATOM 90 NZ LYS A 10 9.442 -8.781 3.014 1.00 71.01 N ATOM 0 H LYS A 10 7.649 -7.680 -3.097 1.00 32.11 H new ATOM 0 HA LYS A 10 9.692 -8.754 -1.463 1.00 20.02 H new ATOM 0 HB2 LYS A 10 6.871 -9.449 -2.226 1.00 75.00 H new ATOM 0 HB3 LYS A 10 7.838 -10.696 -1.463 1.00 75.00 H new ATOM 0 HG2 LYS A 10 7.438 -7.925 -0.284 1.00 72.42 H new ATOM 0 HG3 LYS A 10 6.430 -9.303 0.110 1.00 72.42 H new ATOM 0 HD2 LYS A 10 8.381 -10.537 0.965 1.00 62.20 H new ATOM 0 HD3 LYS A 10 9.453 -9.240 0.473 1.00 62.20 H new ATOM 0 HE2 LYS A 10 7.913 -7.731 1.989 1.00 43.51 H new ATOM 0 HE3 LYS A 10 7.402 -9.252 2.693 1.00 43.51 H new ATOM 0 HZ1 LYS A 10 9.246 -8.298 3.914 1.00 71.01 H new ATOM 0 HZ2 LYS A 10 9.720 -9.765 3.202 1.00 71.01 H new ATOM 0 HZ3 LYS A 10 10.215 -8.292 2.520 1.00 71.01 H new ATOM 104 N LEU A 11 9.531 -9.939 -4.423 1.00 23.01 N ATOM 105 CA LEU A 11 10.112 -10.885 -5.369 1.00 62.41 C ATOM 106 C LEU A 11 11.613 -10.657 -5.516 1.00 40.52 C ATOM 107 O LEU A 11 12.352 -11.557 -5.916 1.00 53.11 O ATOM 108 CB LEU A 11 9.429 -10.758 -6.732 1.00 23.30 C ATOM 109 CG LEU A 11 7.916 -10.542 -6.707 1.00 32.31 C ATOM 110 CD1 LEU A 11 7.414 -10.122 -8.080 1.00 33.54 C ATOM 111 CD2 LEU A 11 7.205 -11.804 -6.240 1.00 13.13 C ATOM 0 H LEU A 11 9.051 -9.150 -4.856 1.00 23.01 H new ATOM 0 HA LEU A 11 9.953 -11.892 -4.982 1.00 62.41 H new ATOM 0 HB2 LEU A 11 9.886 -9.926 -7.269 1.00 23.30 H new ATOM 0 HB3 LEU A 11 9.638 -11.661 -7.306 1.00 23.30 H new ATOM 0 HG LEU A 11 7.694 -9.742 -6.001 1.00 32.31 H new ATOM 0 HD11 LEU A 11 6.335 -9.973 -8.043 1.00 33.54 H new ATOM 0 HD12 LEU A 11 7.899 -9.192 -8.376 1.00 33.54 H new ATOM 0 HD13 LEU A 11 7.648 -10.900 -8.807 1.00 33.54 H new ATOM 0 HD21 LEU A 11 6.129 -11.632 -6.228 1.00 13.13 H new ATOM 0 HD22 LEU A 11 7.434 -12.624 -6.921 1.00 13.13 H new ATOM 0 HD23 LEU A 11 7.542 -12.061 -5.236 1.00 13.13 H new ATOM 123 N ILE A 12 12.057 -9.448 -5.189 1.00 12.35 N ATOM 124 CA ILE A 12 13.470 -9.102 -5.281 1.00 72.31 C ATOM 125 C ILE A 12 14.332 -10.105 -4.521 1.00 52.41 C ATOM 126 O ILE A 12 15.227 -10.739 -5.079 1.00 22.53 O ATOM 127 CB ILE A 12 13.741 -7.689 -4.732 1.00 60.03 C ATOM 128 CG1 ILE A 12 13.564 -6.646 -5.838 1.00 63.30 C ATOM 129 CG2 ILE A 12 15.141 -7.610 -4.141 1.00 35.00 C ATOM 130 CD1 ILE A 12 14.602 -6.746 -6.934 1.00 70.11 C ATOM 0 H ILE A 12 11.458 -8.691 -4.858 1.00 12.35 H new ATOM 0 HA ILE A 12 13.733 -9.128 -6.338 1.00 72.31 H new ATOM 0 HB ILE A 12 13.021 -7.478 -3.941 1.00 60.03 H new ATOM 0 HG12 ILE A 12 12.572 -6.758 -6.276 1.00 63.30 H new ATOM 0 HG13 ILE A 12 13.607 -5.650 -5.397 1.00 63.30 H new ATOM 0 HG21 ILE A 12 15.318 -6.605 -3.757 1.00 35.00 H new ATOM 0 HG22 ILE A 12 15.234 -8.331 -3.328 1.00 35.00 H new ATOM 0 HG23 ILE A 12 15.875 -7.838 -4.914 1.00 35.00 H new ATOM 0 HD11 ILE A 12 14.415 -5.977 -7.683 1.00 70.11 H new ATOM 0 HD12 ILE A 12 15.595 -6.604 -6.508 1.00 70.11 H new ATOM 0 HD13 ILE A 12 14.544 -7.729 -7.401 1.00 70.11 H new ATOM 142 N PRO A 13 14.056 -10.253 -3.217 1.00 32.21 N ATOM 143 CA PRO A 13 14.793 -11.179 -2.352 1.00 62.22 C ATOM 144 C PRO A 13 14.499 -12.639 -2.681 1.00 54.32 C ATOM 145 O PRO A 13 15.326 -13.519 -2.443 1.00 34.04 O ATOM 146 CB PRO A 13 14.286 -10.834 -0.950 1.00 25.34 C ATOM 147 CG PRO A 13 12.934 -10.250 -1.168 1.00 74.25 C ATOM 148 CD PRO A 13 13.002 -9.529 -2.486 1.00 63.02 C ATOM 0 HA PRO A 13 15.872 -11.074 -2.468 1.00 62.22 H new ATOM 0 HB2 PRO A 13 14.237 -11.721 -0.318 1.00 25.34 H new ATOM 0 HB3 PRO A 13 14.948 -10.125 -0.453 1.00 25.34 H new ATOM 0 HG2 PRO A 13 12.171 -11.028 -1.188 1.00 74.25 H new ATOM 0 HG3 PRO A 13 12.670 -9.566 -0.362 1.00 74.25 H new ATOM 0 HD2 PRO A 13 12.049 -9.566 -3.014 1.00 63.02 H new ATOM 0 HD3 PRO A 13 13.254 -8.476 -2.356 1.00 63.02 H new ATOM 156 N LYS A 14 13.315 -12.889 -3.231 1.00 21.21 N ATOM 157 CA LYS A 14 12.911 -14.242 -3.595 1.00 30.01 C ATOM 158 C LYS A 14 13.936 -14.885 -4.524 1.00 1.24 C ATOM 159 O LYS A 14 14.251 -16.068 -4.393 1.00 25.32 O ATOM 160 CB LYS A 14 11.538 -14.222 -4.270 1.00 14.13 C ATOM 161 CG LYS A 14 10.391 -14.535 -3.324 1.00 72.54 C ATOM 162 CD LYS A 14 9.124 -14.893 -4.084 1.00 22.43 C ATOM 163 CE LYS A 14 9.107 -16.362 -4.478 1.00 31.54 C ATOM 164 NZ LYS A 14 8.750 -17.240 -3.329 1.00 74.52 N ATOM 0 H LYS A 14 12.619 -12.172 -3.434 1.00 21.21 H new ATOM 0 HA LYS A 14 12.852 -14.834 -2.682 1.00 30.01 H new ATOM 0 HB2 LYS A 14 11.375 -13.240 -4.713 1.00 14.13 H new ATOM 0 HB3 LYS A 14 11.533 -14.945 -5.086 1.00 14.13 H new ATOM 0 HG2 LYS A 14 10.671 -15.362 -2.672 1.00 72.54 H new ATOM 0 HG3 LYS A 14 10.201 -13.674 -2.683 1.00 72.54 H new ATOM 0 HD2 LYS A 14 8.253 -14.670 -3.467 1.00 22.43 H new ATOM 0 HD3 LYS A 14 9.048 -14.274 -4.978 1.00 22.43 H new ATOM 0 HE2 LYS A 14 8.392 -16.513 -5.286 1.00 31.54 H new ATOM 0 HE3 LYS A 14 10.087 -16.646 -4.862 1.00 31.54 H new ATOM 0 HZ1 LYS A 14 9.199 -18.170 -3.451 1.00 74.52 H new ATOM 0 HZ2 LYS A 14 9.084 -16.807 -2.444 1.00 74.52 H new ATOM 0 HZ3 LYS A 14 7.717 -17.356 -3.289 1.00 74.52 H new ATOM 178 N LEU A 15 14.454 -14.098 -5.460 1.00 61.14 N ATOM 179 CA LEU A 15 15.446 -14.590 -6.410 1.00 74.35 C ATOM 180 C LEU A 15 16.855 -14.464 -5.841 1.00 41.44 C ATOM 181 O LEU A 15 17.654 -15.396 -5.920 1.00 73.04 O ATOM 182 CB LEU A 15 15.344 -13.820 -7.728 1.00 63.33 C ATOM 183 CG LEU A 15 14.142 -14.156 -8.611 1.00 71.22 C ATOM 184 CD1 LEU A 15 13.673 -12.922 -9.366 1.00 75.10 C ATOM 185 CD2 LEU A 15 14.489 -15.277 -9.581 1.00 15.23 C ATOM 0 H LEU A 15 14.204 -13.117 -5.582 1.00 61.14 H new ATOM 0 HA LEU A 15 15.243 -15.645 -6.596 1.00 74.35 H new ATOM 0 HB2 LEU A 15 15.316 -12.754 -7.502 1.00 63.33 H new ATOM 0 HB3 LEU A 15 16.253 -14.000 -8.302 1.00 63.33 H new ATOM 0 HG LEU A 15 13.329 -14.496 -7.970 1.00 71.22 H new ATOM 0 HD11 LEU A 15 12.817 -13.180 -9.989 1.00 75.10 H new ATOM 0 HD12 LEU A 15 13.384 -12.148 -8.655 1.00 75.10 H new ATOM 0 HD13 LEU A 15 14.482 -12.552 -9.996 1.00 75.10 H new ATOM 0 HD21 LEU A 15 13.622 -15.503 -10.201 1.00 15.23 H new ATOM 0 HD22 LEU A 15 15.318 -14.965 -10.216 1.00 15.23 H new ATOM 0 HD23 LEU A 15 14.776 -16.167 -9.021 1.00 15.23 H new ATOM 197 N GLY A 16 17.153 -13.303 -5.265 1.00 42.22 N ATOM 198 CA GLY A 16 18.466 -13.076 -4.689 1.00 73.11 C ATOM 199 C GLY A 16 18.869 -14.167 -3.717 1.00 72.44 C ATOM 200 O GLY A 16 20.056 -14.425 -3.522 1.00 10.22 O ATOM 0 H GLY A 16 16.509 -12.516 -5.187 1.00 42.22 H new ATOM 0 HA2 GLY A 16 19.204 -13.015 -5.488 1.00 73.11 H new ATOM 0 HA3 GLY A 16 18.473 -12.115 -4.175 1.00 73.11 H new ATOM 204 N GLU A 17 17.878 -14.809 -3.106 1.00 71.01 N ATOM 205 CA GLU A 17 18.137 -15.877 -2.147 1.00 52.24 C ATOM 206 C GLU A 17 18.745 -17.093 -2.839 1.00 71.53 C ATOM 207 O GLU A 17 19.553 -17.816 -2.254 1.00 10.43 O ATOM 208 CB GLU A 17 16.844 -16.276 -1.433 1.00 52.22 C ATOM 209 CG GLU A 17 16.978 -16.340 0.079 1.00 45.11 C ATOM 210 CD GLU A 17 18.003 -17.363 0.531 1.00 52.35 C ATOM 211 OE1 GLU A 17 18.050 -18.458 -0.068 1.00 2.01 O ATOM 212 OE2 GLU A 17 18.756 -17.069 1.482 1.00 42.42 O ATOM 0 H GLU A 17 16.889 -14.608 -3.258 1.00 71.01 H new ATOM 0 HA GLU A 17 18.850 -15.505 -1.411 1.00 52.24 H new ATOM 0 HB2 GLU A 17 16.062 -15.562 -1.690 1.00 52.22 H new ATOM 0 HB3 GLU A 17 16.521 -17.249 -1.802 1.00 52.22 H new ATOM 0 HG2 GLU A 17 17.260 -15.357 0.457 1.00 45.11 H new ATOM 0 HG3 GLU A 17 16.010 -16.584 0.516 1.00 45.11 H new ATOM 219 N LEU A 18 18.351 -17.315 -4.088 1.00 55.23 N ATOM 220 CA LEU A 18 18.856 -18.444 -4.861 1.00 75.24 C ATOM 221 C LEU A 18 20.267 -18.169 -5.370 1.00 1.45 C ATOM 222 O LEU A 18 20.903 -19.037 -5.969 1.00 2.51 O ATOM 223 CB LEU A 18 17.925 -18.738 -6.040 1.00 3.33 C ATOM 224 CG LEU A 18 17.266 -20.117 -6.047 1.00 34.13 C ATOM 225 CD1 LEU A 18 18.316 -21.211 -5.932 1.00 75.44 C ATOM 226 CD2 LEU A 18 16.251 -20.229 -4.918 1.00 1.10 C ATOM 0 H LEU A 18 17.683 -16.728 -4.587 1.00 55.23 H new ATOM 0 HA LEU A 18 18.889 -19.314 -4.206 1.00 75.24 H new ATOM 0 HB2 LEU A 18 17.140 -17.982 -6.054 1.00 3.33 H new ATOM 0 HB3 LEU A 18 18.493 -18.624 -6.963 1.00 3.33 H new ATOM 0 HG LEU A 18 16.742 -20.243 -6.994 1.00 34.13 H new ATOM 0 HD11 LEU A 18 17.828 -22.186 -5.939 1.00 75.44 H new ATOM 0 HD12 LEU A 18 19.005 -21.144 -6.774 1.00 75.44 H new ATOM 0 HD13 LEU A 18 18.869 -21.088 -5.001 1.00 75.44 H new ATOM 0 HD21 LEU A 18 15.792 -21.217 -4.938 1.00 1.10 H new ATOM 0 HD22 LEU A 18 16.753 -20.082 -3.962 1.00 1.10 H new ATOM 0 HD23 LEU A 18 15.481 -19.468 -5.044 1.00 1.10 H new ATOM 238 N LEU A 19 20.752 -16.956 -5.125 1.00 21.44 N ATOM 239 CA LEU A 19 22.090 -16.566 -5.555 1.00 63.42 C ATOM 240 C LEU A 19 23.110 -16.803 -4.446 1.00 30.13 C ATOM 241 O LEU A 19 24.311 -16.619 -4.642 1.00 42.14 O ATOM 242 CB LEU A 19 22.105 -15.094 -5.971 1.00 72.53 C ATOM 243 CG LEU A 19 22.085 -14.822 -7.476 1.00 35.03 C ATOM 244 CD1 LEU A 19 23.416 -15.202 -8.105 1.00 52.00 C ATOM 245 CD2 LEU A 19 20.943 -15.579 -8.139 1.00 64.05 C ATOM 0 H LEU A 19 20.238 -16.226 -4.631 1.00 21.44 H new ATOM 0 HA LEU A 19 22.363 -17.182 -6.412 1.00 63.42 H new ATOM 0 HB2 LEU A 19 21.243 -14.601 -5.521 1.00 72.53 H new ATOM 0 HB3 LEU A 19 22.995 -14.627 -5.549 1.00 72.53 H new ATOM 0 HG LEU A 19 21.926 -13.755 -7.631 1.00 35.03 H new ATOM 0 HD11 LEU A 19 23.383 -15.001 -9.176 1.00 52.00 H new ATOM 0 HD12 LEU A 19 24.214 -14.615 -7.650 1.00 52.00 H new ATOM 0 HD13 LEU A 19 23.607 -16.262 -7.940 1.00 52.00 H new ATOM 0 HD21 LEU A 19 20.944 -15.374 -9.210 1.00 64.05 H new ATOM 0 HD22 LEU A 19 21.072 -16.649 -7.974 1.00 64.05 H new ATOM 0 HD23 LEU A 19 19.995 -15.257 -7.709 1.00 64.05 H new ATOM 257 N VAL A 20 22.623 -17.215 -3.279 1.00 50.34 N ATOM 258 CA VAL A 20 23.492 -17.480 -2.139 1.00 72.40 C ATOM 259 C VAL A 20 24.160 -18.845 -2.263 1.00 74.31 C ATOM 260 O VAL A 20 25.253 -19.063 -1.743 1.00 12.25 O ATOM 261 CB VAL A 20 22.711 -17.422 -0.813 1.00 11.33 C ATOM 262 CG1 VAL A 20 21.900 -16.137 -0.726 1.00 64.55 C ATOM 263 CG2 VAL A 20 21.811 -18.640 -0.670 1.00 64.23 C ATOM 0 H VAL A 20 21.631 -17.372 -3.099 1.00 50.34 H new ATOM 0 HA VAL A 20 24.257 -16.703 -2.136 1.00 72.40 H new ATOM 0 HB VAL A 20 23.426 -17.429 0.009 1.00 11.33 H new ATOM 0 HG11 VAL A 20 21.355 -16.114 0.218 1.00 64.55 H new ATOM 0 HG12 VAL A 20 22.571 -15.279 -0.779 1.00 64.55 H new ATOM 0 HG13 VAL A 20 21.193 -16.096 -1.554 1.00 64.55 H new ATOM 0 HG21 VAL A 20 21.267 -18.582 0.273 1.00 64.23 H new ATOM 0 HG22 VAL A 20 21.102 -18.667 -1.497 1.00 64.23 H new ATOM 0 HG23 VAL A 20 22.419 -19.545 -0.683 1.00 64.23 H new ATOM 273 N GLY A 21 23.494 -19.763 -2.958 1.00 34.04 N ATOM 274 CA GLY A 21 24.038 -21.096 -3.138 1.00 61.12 C ATOM 275 C GLY A 21 23.325 -22.133 -2.293 1.00 72.04 C ATOM 276 O GLY A 21 23.836 -23.233 -2.088 1.00 61.21 O ATOM 0 H GLY A 21 22.588 -19.607 -3.399 1.00 34.04 H new ATOM 0 HA2 GLY A 21 23.965 -21.376 -4.189 1.00 61.12 H new ATOM 0 HA3 GLY A 21 25.098 -21.090 -2.883 1.00 61.12 H new ATOM 280 N GLU A 22 22.141 -21.781 -1.801 1.00 41.13 N ATOM 281 CA GLU A 22 21.359 -22.690 -0.972 1.00 15.42 C ATOM 282 C GLU A 22 20.323 -23.435 -1.809 1.00 14.42 C ATOM 283 O GLU A 22 19.136 -23.108 -1.782 1.00 52.12 O ATOM 284 CB GLU A 22 20.663 -21.919 0.152 1.00 2.42 C ATOM 285 CG GLU A 22 20.373 -22.764 1.381 1.00 2.32 C ATOM 286 CD GLU A 22 18.961 -23.315 1.390 1.00 73.21 C ATOM 287 OE1 GLU A 22 18.018 -22.537 1.138 1.00 53.33 O ATOM 288 OE2 GLU A 22 18.799 -24.526 1.649 1.00 70.20 O ATOM 0 H GLU A 22 21.703 -20.874 -1.962 1.00 41.13 H new ATOM 0 HA GLU A 22 22.041 -23.420 -0.535 1.00 15.42 H new ATOM 0 HB2 GLU A 22 21.287 -21.074 0.442 1.00 2.42 H new ATOM 0 HB3 GLU A 22 19.726 -21.509 -0.226 1.00 2.42 H new ATOM 0 HG2 GLU A 22 21.082 -23.591 1.424 1.00 2.32 H new ATOM 0 HG3 GLU A 22 20.530 -22.162 2.276 1.00 2.32 H new ATOM 295 N TYR A 23 20.780 -24.436 -2.551 1.00 64.41 N ATOM 296 CA TYR A 23 19.895 -25.226 -3.399 1.00 21.44 C ATOM 297 C TYR A 23 20.619 -26.451 -3.950 1.00 34.21 C ATOM 298 O TYR A 23 21.848 -26.522 -3.932 1.00 54.02 O ATOM 299 CB TYR A 23 19.363 -24.373 -4.551 1.00 34.20 C ATOM 300 CG TYR A 23 20.450 -23.784 -5.421 1.00 11.54 C ATOM 301 CD1 TYR A 23 21.075 -22.592 -5.073 1.00 53.00 C ATOM 302 CD2 TYR A 23 20.852 -24.417 -6.590 1.00 12.10 C ATOM 303 CE1 TYR A 23 22.068 -22.049 -5.865 1.00 1.03 C ATOM 304 CE2 TYR A 23 21.845 -23.882 -7.387 1.00 23.01 C ATOM 305 CZ TYR A 23 22.450 -22.698 -7.020 1.00 42.13 C ATOM 306 OH TYR A 23 23.439 -22.161 -7.812 1.00 63.12 O ATOM 0 H TYR A 23 21.759 -24.720 -2.583 1.00 64.41 H new ATOM 0 HA TYR A 23 19.057 -25.565 -2.790 1.00 21.44 H new ATOM 0 HB2 TYR A 23 18.705 -24.983 -5.170 1.00 34.20 H new ATOM 0 HB3 TYR A 23 18.757 -23.564 -4.143 1.00 34.20 H new ATOM 0 HD1 TYR A 23 20.779 -22.082 -4.168 1.00 53.00 H new ATOM 0 HD2 TYR A 23 20.380 -25.344 -6.881 1.00 12.10 H new ATOM 0 HE1 TYR A 23 22.543 -21.121 -5.581 1.00 1.03 H new ATOM 0 HE2 TYR A 23 22.146 -24.388 -8.292 1.00 23.01 H new ATOM 0 HH TYR A 23 23.523 -22.689 -8.633 1.00 63.12 H new ATOM 316 N LYS A 24 19.847 -27.415 -4.440 1.00 74.14 N ATOM 317 CA LYS A 24 20.411 -28.638 -5.000 1.00 12.33 C ATOM 318 C LYS A 24 20.264 -28.660 -6.518 1.00 34.13 C ATOM 319 O LYS A 24 19.577 -29.519 -7.073 1.00 22.34 O ATOM 320 CB LYS A 24 19.726 -29.864 -4.392 1.00 61.22 C ATOM 321 CG LYS A 24 20.031 -30.063 -2.918 1.00 23.24 C ATOM 322 CD LYS A 24 19.942 -31.528 -2.522 1.00 54.43 C ATOM 323 CE LYS A 24 21.278 -32.234 -2.693 1.00 53.04 C ATOM 324 NZ LYS A 24 22.155 -32.057 -1.503 1.00 42.44 N ATOM 0 H LYS A 24 18.828 -27.373 -4.461 1.00 74.14 H new ATOM 0 HA LYS A 24 21.473 -28.664 -4.756 1.00 12.33 H new ATOM 0 HB2 LYS A 24 18.648 -29.769 -4.522 1.00 61.22 H new ATOM 0 HB3 LYS A 24 20.036 -30.753 -4.942 1.00 61.22 H new ATOM 0 HG2 LYS A 24 21.030 -29.686 -2.698 1.00 23.24 H new ATOM 0 HG3 LYS A 24 19.331 -29.480 -2.319 1.00 23.24 H new ATOM 0 HD2 LYS A 24 19.618 -31.606 -1.484 1.00 54.43 H new ATOM 0 HD3 LYS A 24 19.186 -32.025 -3.130 1.00 54.43 H new ATOM 0 HE2 LYS A 24 21.108 -33.297 -2.864 1.00 53.04 H new ATOM 0 HE3 LYS A 24 21.783 -31.846 -3.577 1.00 53.04 H new ATOM 0 HZ1 LYS A 24 23.056 -32.553 -1.659 1.00 42.44 H new ATOM 0 HZ2 LYS A 24 22.339 -31.044 -1.355 1.00 42.44 H new ATOM 0 HZ3 LYS A 24 21.684 -32.450 -0.663 1.00 42.44 H new ATOM 338 N LEU A 25 20.913 -27.712 -7.184 1.00 71.14 N ATOM 339 CA LEU A 25 20.856 -27.624 -8.639 1.00 54.04 C ATOM 340 C LEU A 25 22.212 -27.228 -9.215 1.00 33.52 C ATOM 341 O LEU A 25 23.141 -26.904 -8.475 1.00 1.11 O ATOM 342 CB LEU A 25 19.792 -26.611 -9.067 1.00 42.12 C ATOM 343 CG LEU A 25 18.428 -26.744 -8.390 1.00 12.53 C ATOM 344 CD1 LEU A 25 17.687 -25.416 -8.417 1.00 1.41 C ATOM 345 CD2 LEU A 25 17.602 -27.831 -9.062 1.00 1.22 C ATOM 0 H LEU A 25 21.485 -26.993 -6.740 1.00 71.14 H new ATOM 0 HA LEU A 25 20.590 -28.607 -9.027 1.00 54.04 H new ATOM 0 HB2 LEU A 25 20.175 -25.609 -8.874 1.00 42.12 H new ATOM 0 HB3 LEU A 25 19.650 -26.696 -10.144 1.00 42.12 H new ATOM 0 HG LEU A 25 18.587 -27.027 -7.350 1.00 12.53 H new ATOM 0 HD11 LEU A 25 16.718 -25.530 -7.931 1.00 1.41 H new ATOM 0 HD12 LEU A 25 18.272 -24.662 -7.889 1.00 1.41 H new ATOM 0 HD13 LEU A 25 17.540 -25.103 -9.451 1.00 1.41 H new ATOM 0 HD21 LEU A 25 16.634 -27.911 -8.567 1.00 1.22 H new ATOM 0 HD22 LEU A 25 17.452 -27.578 -10.112 1.00 1.22 H new ATOM 0 HD23 LEU A 25 18.127 -28.784 -8.990 1.00 1.22 H new ATOM 357 N HIS A 26 22.317 -27.256 -10.540 1.00 5.24 N ATOM 358 CA HIS A 26 23.560 -26.897 -11.215 1.00 34.31 C ATOM 359 C HIS A 26 23.770 -25.386 -11.199 1.00 70.22 C ATOM 360 O HIS A 26 22.865 -24.626 -10.855 1.00 74.11 O ATOM 361 CB HIS A 26 23.547 -27.407 -12.656 1.00 73.13 C ATOM 362 CG HIS A 26 23.983 -28.833 -12.791 1.00 64.41 C ATOM 363 ND1 HIS A 26 25.059 -29.359 -12.106 1.00 73.24 N ATOM 364 CD2 HIS A 26 23.482 -29.846 -13.536 1.00 60.21 C ATOM 365 CE1 HIS A 26 25.201 -30.633 -12.426 1.00 30.12 C ATOM 366 NE2 HIS A 26 24.256 -30.954 -13.292 1.00 3.44 N ATOM 0 H HIS A 26 21.558 -27.523 -11.167 1.00 5.24 H new ATOM 0 HA HIS A 26 24.385 -27.366 -10.679 1.00 34.31 H new ATOM 0 HB2 HIS A 26 22.540 -27.304 -13.060 1.00 73.13 H new ATOM 0 HB3 HIS A 26 24.199 -26.777 -13.261 1.00 73.13 H new ATOM 0 HD2 HIS A 26 22.631 -29.793 -14.199 1.00 60.21 H new ATOM 0 HE1 HIS A 26 25.961 -31.299 -12.044 1.00 30.12 H new ATOM 0 HE2 HIS A 26 24.123 -31.874 -13.711 1.00 3.44 H new ATOM 374 N LYS A 27 24.971 -24.957 -11.573 1.00 55.01 N ATOM 375 CA LYS A 27 25.301 -23.537 -11.603 1.00 31.11 C ATOM 376 C LYS A 27 24.574 -22.833 -12.744 1.00 63.25 C ATOM 377 O LYS A 27 24.238 -21.654 -12.646 1.00 32.05 O ATOM 378 CB LYS A 27 26.812 -23.347 -11.752 1.00 61.10 C ATOM 379 CG LYS A 27 27.606 -23.816 -10.545 1.00 62.12 C ATOM 380 CD LYS A 27 27.436 -22.874 -9.365 1.00 41.13 C ATOM 381 CE LYS A 27 27.827 -23.543 -8.057 1.00 35.44 C ATOM 382 NZ LYS A 27 29.247 -23.989 -8.064 1.00 4.02 N ATOM 0 H LYS A 27 25.732 -25.573 -11.860 1.00 55.01 H new ATOM 0 HA LYS A 27 24.976 -23.094 -10.661 1.00 31.11 H new ATOM 0 HB2 LYS A 27 27.153 -23.890 -12.634 1.00 61.10 H new ATOM 0 HB3 LYS A 27 27.022 -22.292 -11.927 1.00 61.10 H new ATOM 0 HG2 LYS A 27 27.282 -24.817 -10.262 1.00 62.12 H new ATOM 0 HG3 LYS A 27 28.662 -23.885 -10.807 1.00 62.12 H new ATOM 0 HD2 LYS A 27 28.048 -21.985 -9.517 1.00 41.13 H new ATOM 0 HD3 LYS A 27 26.399 -22.542 -9.309 1.00 41.13 H new ATOM 0 HE2 LYS A 27 27.669 -22.848 -7.232 1.00 35.44 H new ATOM 0 HE3 LYS A 27 27.178 -24.401 -7.880 1.00 35.44 H new ATOM 0 HZ1 LYS A 27 29.503 -24.347 -7.122 1.00 4.02 H new ATOM 0 HZ2 LYS A 27 29.370 -24.745 -8.767 1.00 4.02 H new ATOM 0 HZ3 LYS A 27 29.862 -23.186 -8.308 1.00 4.02 H new ATOM 396 N GLY A 28 24.334 -23.565 -13.828 1.00 71.50 N ATOM 397 CA GLY A 28 23.647 -22.994 -14.972 1.00 23.51 C ATOM 398 C GLY A 28 22.313 -22.379 -14.599 1.00 60.24 C ATOM 399 O GLY A 28 21.824 -21.479 -15.282 1.00 73.33 O ATOM 0 H GLY A 28 24.603 -24.543 -13.934 1.00 71.50 H new ATOM 0 HA2 GLY A 28 24.279 -22.233 -15.429 1.00 23.51 H new ATOM 0 HA3 GLY A 28 23.489 -23.770 -15.722 1.00 23.51 H new ATOM 403 N VAL A 29 21.721 -22.866 -13.513 1.00 61.14 N ATOM 404 CA VAL A 29 20.435 -22.359 -13.051 1.00 53.24 C ATOM 405 C VAL A 29 20.561 -20.930 -12.534 1.00 70.23 C ATOM 406 O VAL A 29 19.631 -20.132 -12.649 1.00 12.22 O ATOM 407 CB VAL A 29 19.849 -23.246 -11.937 1.00 74.33 C ATOM 408 CG1 VAL A 29 18.437 -22.801 -11.587 1.00 72.51 C ATOM 409 CG2 VAL A 29 19.867 -24.709 -12.357 1.00 1.55 C ATOM 0 H VAL A 29 22.112 -23.611 -12.937 1.00 61.14 H new ATOM 0 HA VAL A 29 19.763 -22.374 -13.909 1.00 53.24 H new ATOM 0 HB VAL A 29 20.469 -23.139 -11.047 1.00 74.33 H new ATOM 0 HG11 VAL A 29 18.039 -23.439 -10.798 1.00 72.51 H new ATOM 0 HG12 VAL A 29 18.456 -21.767 -11.242 1.00 72.51 H new ATOM 0 HG13 VAL A 29 17.802 -22.877 -12.470 1.00 72.51 H new ATOM 0 HG21 VAL A 29 19.449 -25.322 -11.558 1.00 1.55 H new ATOM 0 HG22 VAL A 29 19.271 -24.835 -13.261 1.00 1.55 H new ATOM 0 HG23 VAL A 29 20.894 -25.019 -12.553 1.00 1.55 H new ATOM 419 N LYS A 30 21.719 -20.613 -11.965 1.00 32.34 N ATOM 420 CA LYS A 30 21.970 -19.280 -11.430 1.00 53.05 C ATOM 421 C LYS A 30 21.709 -18.212 -12.488 1.00 71.32 C ATOM 422 O LYS A 30 21.316 -17.090 -12.169 1.00 32.12 O ATOM 423 CB LYS A 30 23.411 -19.173 -10.927 1.00 11.21 C ATOM 424 CG LYS A 30 23.656 -19.913 -9.624 1.00 24.24 C ATOM 425 CD LYS A 30 25.094 -19.757 -9.156 1.00 33.31 C ATOM 426 CE LYS A 30 25.345 -18.373 -8.579 1.00 41.40 C ATOM 427 NZ LYS A 30 26.760 -18.200 -8.147 1.00 72.05 N ATOM 0 H LYS A 30 22.499 -21.262 -11.862 1.00 32.34 H new ATOM 0 HA LYS A 30 21.288 -19.116 -10.596 1.00 53.05 H new ATOM 0 HB2 LYS A 30 24.083 -19.565 -11.690 1.00 11.21 H new ATOM 0 HB3 LYS A 30 23.662 -18.121 -10.791 1.00 11.21 H new ATOM 0 HG2 LYS A 30 22.980 -19.535 -8.857 1.00 24.24 H new ATOM 0 HG3 LYS A 30 23.428 -20.971 -9.757 1.00 24.24 H new ATOM 0 HD2 LYS A 30 25.316 -20.512 -8.402 1.00 33.31 H new ATOM 0 HD3 LYS A 30 25.771 -19.932 -9.992 1.00 33.31 H new ATOM 0 HE2 LYS A 30 25.098 -17.618 -9.326 1.00 41.40 H new ATOM 0 HE3 LYS A 30 24.683 -18.209 -7.729 1.00 41.40 H new ATOM 0 HZ1 LYS A 30 26.890 -17.244 -7.760 1.00 72.05 H new ATOM 0 HZ2 LYS A 30 26.988 -18.904 -7.416 1.00 72.05 H new ATOM 0 HZ3 LYS A 30 27.391 -18.332 -8.963 1.00 72.05 H new ATOM 441 N LYS A 31 21.929 -18.569 -13.749 1.00 52.11 N ATOM 442 CA LYS A 31 21.715 -17.643 -14.855 1.00 2.00 C ATOM 443 C LYS A 31 20.240 -17.278 -14.982 1.00 14.14 C ATOM 444 O LYS A 31 19.897 -16.184 -15.429 1.00 65.31 O ATOM 445 CB LYS A 31 22.214 -18.257 -16.165 1.00 32.10 C ATOM 446 CG LYS A 31 23.649 -17.890 -16.502 1.00 13.34 C ATOM 447 CD LYS A 31 24.269 -18.889 -17.464 1.00 1.23 C ATOM 448 CE LYS A 31 25.053 -19.962 -16.724 1.00 73.20 C ATOM 449 NZ LYS A 31 25.220 -21.193 -17.546 1.00 40.42 N ATOM 0 H LYS A 31 22.256 -19.493 -14.030 1.00 52.11 H new ATOM 0 HA LYS A 31 22.279 -16.734 -14.649 1.00 2.00 H new ATOM 0 HB2 LYS A 31 22.131 -19.342 -16.103 1.00 32.10 H new ATOM 0 HB3 LYS A 31 21.565 -17.934 -16.978 1.00 32.10 H new ATOM 0 HG2 LYS A 31 23.677 -16.894 -16.943 1.00 13.34 H new ATOM 0 HG3 LYS A 31 24.240 -17.850 -15.587 1.00 13.34 H new ATOM 0 HD2 LYS A 31 23.485 -19.356 -18.061 1.00 1.23 H new ATOM 0 HD3 LYS A 31 24.929 -18.367 -18.157 1.00 1.23 H new ATOM 0 HE2 LYS A 31 26.033 -19.572 -16.451 1.00 73.20 H new ATOM 0 HE3 LYS A 31 24.539 -20.212 -15.796 1.00 73.20 H new ATOM 0 HZ1 LYS A 31 25.759 -21.900 -17.007 1.00 40.42 H new ATOM 0 HZ2 LYS A 31 24.285 -21.580 -17.786 1.00 40.42 H new ATOM 0 HZ3 LYS A 31 25.733 -20.960 -18.420 1.00 40.42 H new ATOM 463 N ASN A 32 19.370 -18.201 -14.583 1.00 40.22 N ATOM 464 CA ASN A 32 17.931 -17.975 -14.652 1.00 32.04 C ATOM 465 C ASN A 32 17.472 -17.047 -13.531 1.00 31.11 C ATOM 466 O ASN A 32 16.655 -16.152 -13.748 1.00 41.42 O ATOM 467 CB ASN A 32 17.180 -19.306 -14.567 1.00 2.42 C ATOM 468 CG ASN A 32 17.307 -20.123 -15.838 1.00 23.13 C ATOM 469 OD1 ASN A 32 16.436 -20.080 -16.707 1.00 2.44 O ATOM 470 ND2 ASN A 32 18.396 -20.874 -15.951 1.00 64.34 N ATOM 0 H ASN A 32 19.637 -19.112 -14.209 1.00 40.22 H new ATOM 0 HA ASN A 32 17.708 -17.500 -15.607 1.00 32.04 H new ATOM 0 HB2 ASN A 32 17.564 -19.884 -13.727 1.00 2.42 H new ATOM 0 HB3 ASN A 32 16.126 -19.113 -14.366 1.00 2.42 H new ATOM 0 HD21 ASN A 32 18.537 -21.446 -16.783 1.00 64.34 H new ATOM 0 HD22 ASN A 32 19.092 -20.879 -15.205 1.00 64.34 H new ATOM 477 N ILE A 33 18.003 -17.267 -12.333 1.00 61.50 N ATOM 478 CA ILE A 33 17.649 -16.450 -11.179 1.00 64.31 C ATOM 479 C ILE A 33 18.298 -15.073 -11.262 1.00 13.53 C ATOM 480 O ILE A 33 17.622 -14.050 -11.149 1.00 31.54 O ATOM 481 CB ILE A 33 18.071 -17.125 -9.861 1.00 22.44 C ATOM 482 CG1 ILE A 33 17.292 -18.426 -9.656 1.00 54.01 C ATOM 483 CG2 ILE A 33 17.853 -16.181 -8.688 1.00 53.43 C ATOM 484 CD1 ILE A 33 17.872 -19.603 -10.409 1.00 11.14 C ATOM 0 H ILE A 33 18.680 -18.004 -12.136 1.00 61.50 H new ATOM 0 HA ILE A 33 16.565 -16.340 -11.190 1.00 64.31 H new ATOM 0 HB ILE A 33 19.133 -17.364 -9.917 1.00 22.44 H new ATOM 0 HG12 ILE A 33 17.268 -18.662 -8.592 1.00 54.01 H new ATOM 0 HG13 ILE A 33 16.260 -18.276 -9.972 1.00 54.01 H new ATOM 0 HG21 ILE A 33 18.156 -16.673 -7.764 1.00 53.43 H new ATOM 0 HG22 ILE A 33 18.448 -15.279 -8.831 1.00 53.43 H new ATOM 0 HG23 ILE A 33 16.798 -15.913 -8.627 1.00 53.43 H new ATOM 0 HD11 ILE A 33 17.269 -20.491 -10.217 1.00 11.14 H new ATOM 0 HD12 ILE A 33 17.871 -19.388 -11.478 1.00 11.14 H new ATOM 0 HD13 ILE A 33 18.895 -19.780 -10.076 1.00 11.14 H new ATOM 496 N GLU A 34 19.612 -15.054 -11.461 1.00 51.25 N ATOM 497 CA GLU A 34 20.351 -13.801 -11.560 1.00 41.25 C ATOM 498 C GLU A 34 19.752 -12.899 -12.636 1.00 64.44 C ATOM 499 O GLU A 34 19.771 -11.674 -12.516 1.00 34.42 O ATOM 500 CB GLU A 34 21.824 -14.075 -11.871 1.00 61.00 C ATOM 501 CG GLU A 34 22.080 -14.457 -13.319 1.00 51.23 C ATOM 502 CD GLU A 34 23.518 -14.867 -13.569 1.00 61.40 C ATOM 503 OE1 GLU A 34 24.233 -15.150 -12.585 1.00 20.42 O ATOM 504 OE2 GLU A 34 23.929 -14.906 -14.748 1.00 13.44 O ATOM 0 H GLU A 34 20.186 -15.891 -11.557 1.00 51.25 H new ATOM 0 HA GLU A 34 20.279 -13.290 -10.600 1.00 41.25 H new ATOM 0 HB2 GLU A 34 22.409 -13.187 -11.630 1.00 61.00 H new ATOM 0 HB3 GLU A 34 22.180 -14.877 -11.224 1.00 61.00 H new ATOM 0 HG2 GLU A 34 21.419 -15.278 -13.597 1.00 51.23 H new ATOM 0 HG3 GLU A 34 21.829 -13.614 -13.963 1.00 51.23 H new ATOM 511 N ASP A 35 19.223 -13.515 -13.688 1.00 1.11 N ATOM 512 CA ASP A 35 18.618 -12.770 -14.786 1.00 2.53 C ATOM 513 C ASP A 35 17.247 -12.232 -14.387 1.00 43.11 C ATOM 514 O ASP A 35 16.962 -11.045 -14.553 1.00 74.31 O ATOM 515 CB ASP A 35 18.491 -13.658 -16.024 1.00 41.44 C ATOM 516 CG ASP A 35 19.787 -13.750 -16.806 1.00 31.11 C ATOM 517 OD1 ASP A 35 20.788 -13.143 -16.370 1.00 33.11 O ATOM 518 OD2 ASP A 35 19.801 -14.430 -17.853 1.00 35.21 O ATOM 0 H ASP A 35 19.201 -14.528 -13.803 1.00 1.11 H new ATOM 0 HA ASP A 35 19.266 -11.925 -15.020 1.00 2.53 H new ATOM 0 HB2 ASP A 35 18.182 -14.658 -15.720 1.00 41.44 H new ATOM 0 HB3 ASP A 35 17.707 -13.265 -16.671 1.00 41.44 H new ATOM 523 N LEU A 36 16.402 -13.112 -13.862 1.00 23.20 N ATOM 524 CA LEU A 36 15.060 -12.727 -13.440 1.00 50.33 C ATOM 525 C LEU A 36 15.113 -11.583 -12.432 1.00 62.31 C ATOM 526 O LEU A 36 14.263 -10.692 -12.442 1.00 72.31 O ATOM 527 CB LEU A 36 14.331 -13.926 -12.831 1.00 5.21 C ATOM 528 CG LEU A 36 13.208 -14.528 -13.675 1.00 32.31 C ATOM 529 CD1 LEU A 36 12.887 -15.939 -13.207 1.00 73.31 C ATOM 530 CD2 LEU A 36 11.967 -13.650 -13.616 1.00 53.41 C ATOM 0 H LEU A 36 16.622 -14.097 -13.718 1.00 23.20 H new ATOM 0 HA LEU A 36 14.513 -12.386 -14.319 1.00 50.33 H new ATOM 0 HB2 LEU A 36 15.064 -14.707 -12.628 1.00 5.21 H new ATOM 0 HB3 LEU A 36 13.914 -13.623 -11.871 1.00 5.21 H new ATOM 0 HG LEU A 36 13.544 -14.578 -14.711 1.00 32.31 H new ATOM 0 HD11 LEU A 36 12.085 -16.352 -13.819 1.00 73.31 H new ATOM 0 HD12 LEU A 36 13.775 -16.564 -13.302 1.00 73.31 H new ATOM 0 HD13 LEU A 36 12.571 -15.913 -12.164 1.00 73.31 H new ATOM 0 HD21 LEU A 36 11.178 -14.094 -14.223 1.00 53.41 H new ATOM 0 HD22 LEU A 36 11.628 -13.568 -12.583 1.00 53.41 H new ATOM 0 HD23 LEU A 36 12.205 -12.658 -14.000 1.00 53.41 H new ATOM 542 N LEU A 37 16.118 -11.613 -11.564 1.00 63.40 N ATOM 543 CA LEU A 37 16.285 -10.578 -10.550 1.00 34.11 C ATOM 544 C LEU A 37 16.694 -9.254 -11.186 1.00 1.41 C ATOM 545 O LEU A 37 16.312 -8.182 -10.716 1.00 13.14 O ATOM 546 CB LEU A 37 17.332 -11.008 -9.521 1.00 33.01 C ATOM 547 CG LEU A 37 17.734 -9.952 -8.491 1.00 14.22 C ATOM 548 CD1 LEU A 37 16.503 -9.383 -7.802 1.00 0.41 C ATOM 549 CD2 LEU A 37 18.694 -10.542 -7.469 1.00 21.13 C ATOM 0 H LEU A 37 16.830 -12.343 -11.542 1.00 63.40 H new ATOM 0 HA LEU A 37 15.328 -10.438 -10.048 1.00 34.11 H new ATOM 0 HB2 LEU A 37 16.952 -11.880 -8.988 1.00 33.01 H new ATOM 0 HB3 LEU A 37 18.228 -11.326 -10.055 1.00 33.01 H new ATOM 0 HG LEU A 37 18.242 -9.140 -9.011 1.00 14.22 H new ATOM 0 HD11 LEU A 37 16.808 -8.633 -7.072 1.00 0.41 H new ATOM 0 HD12 LEU A 37 15.851 -8.923 -8.544 1.00 0.41 H new ATOM 0 HD13 LEU A 37 15.966 -10.185 -7.295 1.00 0.41 H new ATOM 0 HD21 LEU A 37 18.969 -9.776 -6.744 1.00 21.13 H new ATOM 0 HD22 LEU A 37 18.212 -11.373 -6.954 1.00 21.13 H new ATOM 0 HD23 LEU A 37 19.590 -10.900 -7.976 1.00 21.13 H new ATOM 561 N LYS A 38 17.473 -9.334 -12.260 1.00 34.54 N ATOM 562 CA LYS A 38 17.932 -8.143 -12.964 1.00 32.22 C ATOM 563 C LYS A 38 16.763 -7.411 -13.615 1.00 35.23 C ATOM 564 O LYS A 38 16.615 -6.199 -13.461 1.00 60.32 O ATOM 565 CB LYS A 38 18.966 -8.521 -14.027 1.00 1.14 C ATOM 566 CG LYS A 38 19.645 -7.323 -14.667 1.00 43.23 C ATOM 567 CD LYS A 38 21.085 -7.632 -15.041 1.00 61.14 C ATOM 568 CE LYS A 38 21.961 -6.391 -14.959 1.00 22.51 C ATOM 569 NZ LYS A 38 22.417 -6.126 -13.566 1.00 41.04 N ATOM 0 H LYS A 38 17.800 -10.213 -12.662 1.00 34.54 H new ATOM 0 HA LYS A 38 18.395 -7.477 -12.236 1.00 32.22 H new ATOM 0 HB2 LYS A 38 19.725 -9.159 -13.573 1.00 1.14 H new ATOM 0 HB3 LYS A 38 18.478 -9.109 -14.804 1.00 1.14 H new ATOM 0 HG2 LYS A 38 19.093 -7.024 -15.558 1.00 43.23 H new ATOM 0 HG3 LYS A 38 19.620 -6.479 -13.978 1.00 43.23 H new ATOM 0 HD2 LYS A 38 21.478 -8.401 -14.375 1.00 61.14 H new ATOM 0 HD3 LYS A 38 21.120 -8.037 -16.052 1.00 61.14 H new ATOM 0 HE2 LYS A 38 22.828 -6.515 -15.608 1.00 22.51 H new ATOM 0 HE3 LYS A 38 21.406 -5.529 -15.330 1.00 22.51 H new ATOM 0 HZ1 LYS A 38 23.011 -5.273 -13.552 1.00 41.04 H new ATOM 0 HZ2 LYS A 38 21.590 -5.983 -12.951 1.00 41.04 H new ATOM 0 HZ3 LYS A 38 22.968 -6.937 -13.221 1.00 41.04 H new ATOM 583 N GLU A 39 15.934 -8.156 -14.340 1.00 50.12 N ATOM 584 CA GLU A 39 14.778 -7.576 -15.013 1.00 74.22 C ATOM 585 C GLU A 39 13.773 -7.035 -14.000 1.00 3.31 C ATOM 586 O GLU A 39 13.102 -6.032 -14.249 1.00 22.14 O ATOM 587 CB GLU A 39 14.104 -8.619 -15.908 1.00 23.13 C ATOM 588 CG GLU A 39 13.802 -9.927 -15.196 1.00 72.11 C ATOM 589 CD GLU A 39 12.996 -10.884 -16.053 1.00 31.44 C ATOM 590 OE1 GLU A 39 13.428 -11.170 -17.189 1.00 23.30 O ATOM 591 OE2 GLU A 39 11.934 -11.347 -15.587 1.00 74.14 O ATOM 0 H GLU A 39 16.041 -9.161 -14.476 1.00 50.12 H new ATOM 0 HA GLU A 39 15.127 -6.748 -15.630 1.00 74.22 H new ATOM 0 HB2 GLU A 39 13.175 -8.204 -16.298 1.00 23.13 H new ATOM 0 HB3 GLU A 39 14.747 -8.821 -16.764 1.00 23.13 H new ATOM 0 HG2 GLU A 39 14.739 -10.404 -14.907 1.00 72.11 H new ATOM 0 HG3 GLU A 39 13.254 -9.718 -14.277 1.00 72.11 H new ATOM 598 N LEU A 40 13.675 -7.705 -12.857 1.00 70.03 N ATOM 599 CA LEU A 40 12.752 -7.293 -11.805 1.00 44.42 C ATOM 600 C LEU A 40 13.279 -6.064 -11.070 1.00 31.31 C ATOM 601 O LEU A 40 12.506 -5.222 -10.613 1.00 41.44 O ATOM 602 CB LEU A 40 12.532 -8.438 -10.815 1.00 53.14 C ATOM 603 CG LEU A 40 11.171 -9.132 -10.884 1.00 52.43 C ATOM 604 CD1 LEU A 40 10.990 -9.820 -12.228 1.00 60.03 C ATOM 605 CD2 LEU A 40 11.024 -10.132 -9.747 1.00 12.33 C ATOM 0 H LEU A 40 14.223 -8.536 -12.635 1.00 70.03 H new ATOM 0 HA LEU A 40 11.800 -7.036 -12.270 1.00 44.42 H new ATOM 0 HB2 LEU A 40 13.308 -9.186 -10.977 1.00 53.14 H new ATOM 0 HB3 LEU A 40 12.669 -8.050 -9.806 1.00 53.14 H new ATOM 0 HG LEU A 40 10.393 -8.376 -10.779 1.00 52.43 H new ATOM 0 HD11 LEU A 40 10.016 -10.308 -12.259 1.00 60.03 H new ATOM 0 HD12 LEU A 40 11.050 -9.080 -13.026 1.00 60.03 H new ATOM 0 HD13 LEU A 40 11.774 -10.565 -12.364 1.00 60.03 H new ATOM 0 HD21 LEU A 40 10.050 -10.616 -9.812 1.00 12.33 H new ATOM 0 HD22 LEU A 40 11.809 -10.885 -9.821 1.00 12.33 H new ATOM 0 HD23 LEU A 40 11.108 -9.613 -8.792 1.00 12.33 H new ATOM 617 N LYS A 41 14.600 -5.968 -10.961 1.00 14.44 N ATOM 618 CA LYS A 41 15.231 -4.841 -10.284 1.00 44.13 C ATOM 619 C LYS A 41 14.812 -3.520 -10.921 1.00 14.45 C ATOM 620 O LYS A 41 14.630 -2.516 -10.231 1.00 1.25 O ATOM 621 CB LYS A 41 16.755 -4.980 -10.331 1.00 74.50 C ATOM 622 CG LYS A 41 17.336 -5.710 -9.132 1.00 54.11 C ATOM 623 CD LYS A 41 17.714 -4.744 -8.022 1.00 21.34 C ATOM 624 CE LYS A 41 18.879 -5.271 -7.198 1.00 20.32 C ATOM 625 NZ LYS A 41 18.429 -6.231 -6.152 1.00 63.41 N ATOM 0 H LYS A 41 15.254 -6.657 -11.333 1.00 14.44 H new ATOM 0 HA LYS A 41 14.903 -4.844 -9.245 1.00 44.13 H new ATOM 0 HB2 LYS A 41 17.035 -5.512 -11.240 1.00 74.50 H new ATOM 0 HB3 LYS A 41 17.200 -3.987 -10.392 1.00 74.50 H new ATOM 0 HG2 LYS A 41 16.610 -6.431 -8.757 1.00 54.11 H new ATOM 0 HG3 LYS A 41 18.216 -6.275 -9.440 1.00 54.11 H new ATOM 0 HD2 LYS A 41 17.979 -3.778 -8.453 1.00 21.34 H new ATOM 0 HD3 LYS A 41 16.854 -4.578 -7.374 1.00 21.34 H new ATOM 0 HE2 LYS A 41 19.597 -5.761 -7.856 1.00 20.32 H new ATOM 0 HE3 LYS A 41 19.397 -4.436 -6.726 1.00 20.32 H new ATOM 0 HZ1 LYS A 41 19.126 -6.256 -5.381 1.00 63.41 H new ATOM 0 HZ2 LYS A 41 17.508 -5.928 -5.776 1.00 63.41 H new ATOM 0 HZ3 LYS A 41 18.338 -7.180 -6.568 1.00 63.41 H new ATOM 639 N THR A 42 14.657 -3.526 -12.241 1.00 63.30 N ATOM 640 CA THR A 42 14.259 -2.329 -12.970 1.00 14.10 C ATOM 641 C THR A 42 12.744 -2.155 -12.956 1.00 22.51 C ATOM 642 O THR A 42 12.239 -1.035 -12.891 1.00 61.15 O ATOM 643 CB THR A 42 14.745 -2.372 -14.431 1.00 25.33 C ATOM 644 OG1 THR A 42 14.252 -3.551 -15.077 1.00 13.01 O ATOM 645 CG2 THR A 42 16.265 -2.351 -14.495 1.00 62.35 C ATOM 0 H THR A 42 14.801 -4.348 -12.827 1.00 63.30 H new ATOM 0 HA THR A 42 14.725 -1.483 -12.465 1.00 14.10 H new ATOM 0 HB THR A 42 14.362 -1.490 -14.945 1.00 25.33 H new ATOM 0 HG1 THR A 42 13.863 -4.152 -14.408 1.00 13.01 H new ATOM 0 HG21 THR A 42 16.586 -2.382 -15.536 1.00 62.35 H new ATOM 0 HG22 THR A 42 16.636 -1.439 -14.028 1.00 62.35 H new ATOM 0 HG23 THR A 42 16.663 -3.217 -13.967 1.00 62.35 H new ATOM 653 N MET A 43 12.025 -3.271 -13.016 1.00 71.30 N ATOM 654 CA MET A 43 10.567 -3.242 -13.008 1.00 51.42 C ATOM 655 C MET A 43 10.041 -2.720 -11.675 1.00 30.34 C ATOM 656 O MET A 43 9.255 -1.775 -11.634 1.00 12.02 O ATOM 657 CB MET A 43 10.005 -4.638 -13.280 1.00 65.52 C ATOM 658 CG MET A 43 9.902 -4.974 -14.759 1.00 71.41 C ATOM 659 SD MET A 43 9.945 -6.749 -15.073 1.00 25.41 S ATOM 660 CE MET A 43 10.000 -6.776 -16.863 1.00 4.40 C ATOM 0 H MET A 43 12.428 -4.206 -13.071 1.00 71.30 H new ATOM 0 HA MET A 43 10.238 -2.567 -13.798 1.00 51.42 H new ATOM 0 HB2 MET A 43 10.639 -5.378 -12.791 1.00 65.52 H new ATOM 0 HB3 MET A 43 9.016 -4.717 -12.828 1.00 65.52 H new ATOM 0 HG2 MET A 43 8.975 -4.561 -15.158 1.00 71.41 H new ATOM 0 HG3 MET A 43 10.721 -4.494 -15.294 1.00 71.41 H new ATOM 0 HE1 MET A 43 9.578 -7.713 -17.226 1.00 4.40 H new ATOM 0 HE2 MET A 43 9.421 -5.941 -17.257 1.00 4.40 H new ATOM 0 HE3 MET A 43 11.034 -6.691 -17.197 1.00 4.40 H new ATOM 670 N ASN A 44 10.480 -3.344 -10.586 1.00 2.41 N ATOM 671 CA ASN A 44 10.052 -2.942 -9.251 1.00 24.54 C ATOM 672 C ASN A 44 10.252 -1.444 -9.042 1.00 64.44 C ATOM 673 O ASN A 44 9.349 -0.745 -8.585 1.00 41.12 O ATOM 674 CB ASN A 44 10.827 -3.724 -8.188 1.00 22.31 C ATOM 675 CG ASN A 44 10.381 -3.383 -6.779 1.00 71.42 C ATOM 676 OD1 ASN A 44 9.071 -3.361 -6.563 1.00 65.13 O flip ATOM 677 ND2 ASN A 44 11.204 -3.143 -5.896 1.00 31.21 N flip ATOM 0 H ASN A 44 11.131 -4.129 -10.602 1.00 2.41 H new ATOM 0 HA ASN A 44 8.989 -3.165 -9.155 1.00 24.54 H new ATOM 0 HB2 ASN A 44 10.696 -4.792 -8.359 1.00 22.31 H new ATOM 0 HB3 ASN A 44 11.892 -3.513 -8.290 1.00 22.31 H new ATOM 0 HD21 ASN A 44 12.201 -3.171 -6.107 1.00 31.21 H new ATOM 0 HD22 ASN A 44 10.889 -2.916 -4.953 1.00 31.21 H new ATOM 684 N ALA A 45 11.442 -0.959 -9.382 1.00 1.01 N ATOM 685 CA ALA A 45 11.760 0.456 -9.235 1.00 22.10 C ATOM 686 C ALA A 45 11.007 1.297 -10.260 1.00 0.21 C ATOM 687 O ALA A 45 10.715 2.468 -10.021 1.00 54.41 O ATOM 688 CB ALA A 45 13.260 0.676 -9.368 1.00 12.32 C ATOM 0 H ALA A 45 12.201 -1.525 -9.761 1.00 1.01 H new ATOM 0 HA ALA A 45 11.444 0.773 -8.241 1.00 22.10 H new ATOM 0 HB1 ALA A 45 13.483 1.737 -9.256 1.00 12.32 H new ATOM 0 HB2 ALA A 45 13.780 0.112 -8.594 1.00 12.32 H new ATOM 0 HB3 ALA A 45 13.592 0.337 -10.349 1.00 12.32 H new ATOM 694 N ALA A 46 10.697 0.692 -11.402 1.00 14.32 N ATOM 695 CA ALA A 46 9.976 1.386 -12.462 1.00 64.24 C ATOM 696 C ALA A 46 8.587 1.809 -11.997 1.00 22.10 C ATOM 697 O ALA A 46 8.174 2.951 -12.200 1.00 42.44 O ATOM 698 CB ALA A 46 9.875 0.502 -13.697 1.00 1.12 C ATOM 0 H ALA A 46 10.934 -0.277 -11.617 1.00 14.32 H new ATOM 0 HA ALA A 46 10.534 2.287 -12.717 1.00 64.24 H new ATOM 0 HB1 ALA A 46 9.334 1.032 -14.481 1.00 1.12 H new ATOM 0 HB2 ALA A 46 10.876 0.255 -14.050 1.00 1.12 H new ATOM 0 HB3 ALA A 46 9.342 -0.415 -13.445 1.00 1.12 H new ATOM 704 N LEU A 47 7.870 0.882 -11.372 1.00 71.42 N ATOM 705 CA LEU A 47 6.526 1.158 -10.878 1.00 54.40 C ATOM 706 C LEU A 47 6.535 2.332 -9.903 1.00 74.34 C ATOM 707 O LEU A 47 5.517 2.996 -9.708 1.00 14.35 O ATOM 708 CB LEU A 47 5.946 -0.082 -10.195 1.00 44.14 C ATOM 709 CG LEU A 47 6.366 -0.306 -8.742 1.00 62.03 C ATOM 710 CD1 LEU A 47 5.296 0.208 -7.792 1.00 50.41 C ATOM 711 CD2 LEU A 47 6.643 -1.781 -8.488 1.00 42.35 C ATOM 0 H LEU A 47 8.197 -0.068 -11.195 1.00 71.42 H new ATOM 0 HA LEU A 47 5.900 1.421 -11.730 1.00 54.40 H new ATOM 0 HB2 LEU A 47 4.859 -0.017 -10.232 1.00 44.14 H new ATOM 0 HB3 LEU A 47 6.233 -0.959 -10.775 1.00 44.14 H new ATOM 0 HG LEU A 47 7.284 0.252 -8.559 1.00 62.03 H new ATOM 0 HD11 LEU A 47 5.612 0.040 -6.763 1.00 50.41 H new ATOM 0 HD12 LEU A 47 5.146 1.275 -7.956 1.00 50.41 H new ATOM 0 HD13 LEU A 47 4.361 -0.322 -7.975 1.00 50.41 H new ATOM 0 HD21 LEU A 47 6.941 -1.922 -7.449 1.00 42.35 H new ATOM 0 HD22 LEU A 47 5.742 -2.360 -8.689 1.00 42.35 H new ATOM 0 HD23 LEU A 47 7.445 -2.119 -9.144 1.00 42.35 H new ATOM 723 N ILE A 48 7.690 2.581 -9.297 1.00 2.51 N ATOM 724 CA ILE A 48 7.832 3.677 -8.346 1.00 30.34 C ATOM 725 C ILE A 48 7.901 5.021 -9.062 1.00 1.34 C ATOM 726 O ILE A 48 7.262 5.990 -8.651 1.00 31.05 O ATOM 727 CB ILE A 48 9.091 3.506 -7.475 1.00 14.35 C ATOM 728 CG1 ILE A 48 9.161 2.084 -6.915 1.00 5.00 C ATOM 729 CG2 ILE A 48 9.096 4.526 -6.346 1.00 14.32 C ATOM 730 CD1 ILE A 48 7.948 1.694 -6.101 1.00 75.33 C ATOM 0 H ILE A 48 8.541 2.039 -9.447 1.00 2.51 H new ATOM 0 HA ILE A 48 6.951 3.655 -7.705 1.00 30.34 H new ATOM 0 HB ILE A 48 9.970 3.676 -8.096 1.00 14.35 H new ATOM 0 HG12 ILE A 48 9.275 1.382 -7.741 1.00 5.00 H new ATOM 0 HG13 ILE A 48 10.051 1.991 -6.293 1.00 5.00 H new ATOM 0 HG21 ILE A 48 9.992 4.393 -5.739 1.00 14.32 H new ATOM 0 HG22 ILE A 48 9.088 5.532 -6.765 1.00 14.32 H new ATOM 0 HG23 ILE A 48 8.212 4.385 -5.724 1.00 14.32 H new ATOM 0 HD11 ILE A 48 8.067 0.674 -5.736 1.00 75.33 H new ATOM 0 HD12 ILE A 48 7.845 2.372 -5.254 1.00 75.33 H new ATOM 0 HD13 ILE A 48 7.056 1.754 -6.725 1.00 75.33 H new ATOM 742 N LYS A 49 8.680 5.073 -10.137 1.00 0.53 N ATOM 743 CA LYS A 49 8.831 6.298 -10.914 1.00 25.13 C ATOM 744 C LYS A 49 7.602 6.547 -11.781 1.00 40.25 C ATOM 745 O LYS A 49 7.029 7.637 -11.763 1.00 35.30 O ATOM 746 CB LYS A 49 10.081 6.217 -11.793 1.00 5.21 C ATOM 747 CG LYS A 49 11.359 6.613 -11.072 1.00 74.50 C ATOM 748 CD LYS A 49 11.734 5.597 -10.006 1.00 1.45 C ATOM 749 CE LYS A 49 13.214 5.672 -9.661 1.00 13.40 C ATOM 750 NZ LYS A 49 14.063 5.087 -10.735 1.00 25.24 N ATOM 0 H LYS A 49 9.217 4.281 -10.490 1.00 0.53 H new ATOM 0 HA LYS A 49 8.937 7.130 -10.218 1.00 25.13 H new ATOM 0 HB2 LYS A 49 10.186 5.199 -12.168 1.00 5.21 H new ATOM 0 HB3 LYS A 49 9.948 6.864 -12.660 1.00 5.21 H new ATOM 0 HG2 LYS A 49 12.172 6.703 -11.793 1.00 74.50 H new ATOM 0 HG3 LYS A 49 11.230 7.593 -10.613 1.00 74.50 H new ATOM 0 HD2 LYS A 49 11.141 5.773 -9.109 1.00 1.45 H new ATOM 0 HD3 LYS A 49 11.491 4.594 -10.356 1.00 1.45 H new ATOM 0 HE2 LYS A 49 13.497 6.712 -9.500 1.00 13.40 H new ATOM 0 HE3 LYS A 49 13.396 5.143 -8.725 1.00 13.40 H new ATOM 0 HZ1 LYS A 49 15.031 4.954 -10.379 1.00 25.24 H new ATOM 0 HZ2 LYS A 49 13.672 4.168 -11.025 1.00 25.24 H new ATOM 0 HZ3 LYS A 49 14.080 5.730 -11.553 1.00 25.24 H new ATOM 764 N ILE A 50 7.202 5.531 -12.539 1.00 3.31 N ATOM 765 CA ILE A 50 6.039 5.641 -13.411 1.00 24.41 C ATOM 766 C ILE A 50 4.749 5.708 -12.601 1.00 22.22 C ATOM 767 O ILE A 50 3.734 6.219 -13.072 1.00 20.22 O ATOM 768 CB ILE A 50 5.956 4.455 -14.390 1.00 24.42 C ATOM 769 CG1 ILE A 50 5.662 3.159 -13.631 1.00 60.34 C ATOM 770 CG2 ILE A 50 7.250 4.329 -15.181 1.00 53.51 C ATOM 771 CD1 ILE A 50 4.212 2.735 -13.699 1.00 75.15 C ATOM 0 H ILE A 50 7.666 4.623 -12.567 1.00 3.31 H new ATOM 0 HA ILE A 50 6.157 6.564 -13.979 1.00 24.41 H new ATOM 0 HB ILE A 50 5.141 4.638 -15.090 1.00 24.42 H new ATOM 0 HG12 ILE A 50 6.285 2.361 -14.036 1.00 60.34 H new ATOM 0 HG13 ILE A 50 5.946 3.287 -12.586 1.00 60.34 H new ATOM 0 HG21 ILE A 50 7.176 3.486 -15.868 1.00 53.51 H new ATOM 0 HG22 ILE A 50 7.421 5.245 -15.747 1.00 53.51 H new ATOM 0 HG23 ILE A 50 8.081 4.165 -14.495 1.00 53.51 H new ATOM 0 HD11 ILE A 50 4.077 1.809 -13.139 1.00 75.15 H new ATOM 0 HD12 ILE A 50 3.584 3.515 -13.268 1.00 75.15 H new ATOM 0 HD13 ILE A 50 3.928 2.575 -14.739 1.00 75.15 H new ATOM 783 N GLY A 51 4.797 5.189 -11.377 1.00 41.43 N ATOM 784 CA GLY A 51 3.626 5.202 -10.520 1.00 4.02 C ATOM 785 C GLY A 51 3.540 6.458 -9.675 1.00 73.15 C ATOM 786 O GLY A 51 2.464 6.820 -9.200 1.00 41.10 O ATOM 0 H GLY A 51 5.625 4.760 -10.964 1.00 41.43 H new ATOM 0 HA2 GLY A 51 2.729 5.119 -11.134 1.00 4.02 H new ATOM 0 HA3 GLY A 51 3.648 4.329 -9.867 1.00 4.02 H new ATOM 790 N GLU A 52 4.676 7.122 -9.488 1.00 14.55 N ATOM 791 CA GLU A 52 4.723 8.344 -8.692 1.00 73.31 C ATOM 792 C GLU A 52 3.976 9.477 -9.390 1.00 61.21 C ATOM 793 O GLU A 52 3.450 10.381 -8.741 1.00 40.12 O ATOM 794 CB GLU A 52 6.174 8.756 -8.436 1.00 13.13 C ATOM 795 CG GLU A 52 6.313 10.130 -7.802 1.00 1.01 C ATOM 796 CD GLU A 52 5.626 10.223 -6.453 1.00 61.23 C ATOM 797 OE1 GLU A 52 5.226 9.169 -5.917 1.00 23.43 O ATOM 798 OE2 GLU A 52 5.489 11.351 -5.935 1.00 32.45 O ATOM 0 H GLU A 52 5.575 6.836 -9.876 1.00 14.55 H new ATOM 0 HA GLU A 52 4.236 8.145 -7.738 1.00 73.31 H new ATOM 0 HB2 GLU A 52 6.644 8.017 -7.788 1.00 13.13 H new ATOM 0 HB3 GLU A 52 6.718 8.744 -9.380 1.00 13.13 H new ATOM 0 HG2 GLU A 52 7.371 10.366 -7.684 1.00 1.01 H new ATOM 0 HG3 GLU A 52 5.892 10.879 -8.472 1.00 1.01 H new ATOM 805 N VAL A 53 3.935 9.421 -10.718 1.00 31.04 N ATOM 806 CA VAL A 53 3.253 10.441 -11.505 1.00 0.31 C ATOM 807 C VAL A 53 1.739 10.307 -11.385 1.00 1.30 C ATOM 808 O VAL A 53 1.204 9.225 -11.147 1.00 33.51 O ATOM 809 CB VAL A 53 3.648 10.360 -12.991 1.00 44.54 C ATOM 810 CG1 VAL A 53 5.155 10.491 -13.151 1.00 64.01 C ATOM 811 CG2 VAL A 53 3.149 9.061 -13.605 1.00 44.11 C ATOM 0 H VAL A 53 4.366 8.680 -11.271 1.00 31.04 H new ATOM 0 HA VAL A 53 3.562 11.407 -11.106 1.00 0.31 H new ATOM 0 HB VAL A 53 3.177 11.189 -13.520 1.00 44.54 H new ATOM 0 HG11 VAL A 53 5.415 10.431 -14.208 1.00 64.01 H new ATOM 0 HG12 VAL A 53 5.481 11.451 -12.750 1.00 64.01 H new ATOM 0 HG13 VAL A 53 5.650 9.685 -12.609 1.00 64.01 H new ATOM 0 HG21 VAL A 53 3.437 9.021 -14.655 1.00 44.11 H new ATOM 0 HG22 VAL A 53 3.589 8.216 -13.076 1.00 44.11 H new ATOM 0 HG23 VAL A 53 2.063 9.014 -13.525 1.00 44.11 H new ATOM 821 N PRO A 54 1.030 11.433 -11.554 1.00 3.51 N ATOM 822 CA PRO A 54 -0.433 11.468 -11.470 1.00 62.01 C ATOM 823 C PRO A 54 -1.098 10.757 -12.644 1.00 44.20 C ATOM 824 O PRO A 54 -0.457 10.421 -13.641 1.00 15.53 O ATOM 825 CB PRO A 54 -0.755 12.964 -11.499 1.00 45.22 C ATOM 826 CG PRO A 54 0.401 13.586 -12.205 1.00 13.43 C ATOM 827 CD PRO A 54 1.603 12.760 -11.840 1.00 74.32 C ATOM 0 HA PRO A 54 -0.802 10.956 -10.581 1.00 62.01 H new ATOM 0 HB2 PRO A 54 -1.690 13.158 -12.024 1.00 45.22 H new ATOM 0 HB3 PRO A 54 -0.866 13.365 -10.491 1.00 45.22 H new ATOM 0 HG2 PRO A 54 0.243 13.590 -13.284 1.00 13.43 H new ATOM 0 HG3 PRO A 54 0.533 14.624 -11.898 1.00 13.43 H new ATOM 0 HD2 PRO A 54 2.325 12.719 -12.655 1.00 74.32 H new ATOM 0 HD3 PRO A 54 2.123 13.168 -10.974 1.00 74.32 H new ATOM 835 N PRO A 55 -2.413 10.522 -12.526 1.00 62.24 N ATOM 836 CA PRO A 55 -3.193 9.849 -13.569 1.00 40.44 C ATOM 837 C PRO A 55 -3.359 10.712 -14.816 1.00 34.02 C ATOM 838 O PRO A 55 -3.849 10.245 -15.844 1.00 52.44 O ATOM 839 CB PRO A 55 -4.549 9.610 -12.900 1.00 5.22 C ATOM 840 CG PRO A 55 -4.644 10.664 -11.851 1.00 52.02 C ATOM 841 CD PRO A 55 -3.240 10.894 -11.366 1.00 44.42 C ATOM 0 HA PRO A 55 -2.707 8.937 -13.917 1.00 40.44 H new ATOM 0 HB2 PRO A 55 -5.365 9.691 -13.618 1.00 5.22 H new ATOM 0 HB3 PRO A 55 -4.606 8.612 -12.465 1.00 5.22 H new ATOM 0 HG2 PRO A 55 -5.072 11.581 -12.257 1.00 52.02 H new ATOM 0 HG3 PRO A 55 -5.291 10.344 -11.034 1.00 52.02 H new ATOM 0 HD2 PRO A 55 -3.080 11.932 -11.075 1.00 44.42 H new ATOM 0 HD3 PRO A 55 -3.010 10.280 -10.495 1.00 44.42 H new ATOM 849 N ASP A 56 -2.948 11.971 -14.717 1.00 15.40 N ATOM 850 CA ASP A 56 -3.051 12.899 -15.837 1.00 43.15 C ATOM 851 C ASP A 56 -2.005 12.583 -16.902 1.00 61.31 C ATOM 852 O ASP A 56 -2.188 12.898 -18.077 1.00 43.34 O ATOM 853 CB ASP A 56 -2.882 14.340 -15.352 1.00 32.44 C ATOM 854 CG ASP A 56 -3.375 15.354 -16.365 1.00 71.30 C ATOM 855 OD1 ASP A 56 -4.044 14.944 -17.337 1.00 1.24 O ATOM 856 OD2 ASP A 56 -3.091 16.557 -16.187 1.00 52.00 O ATOM 0 H ASP A 56 -2.540 12.373 -13.873 1.00 15.40 H new ATOM 0 HA ASP A 56 -4.041 12.787 -16.279 1.00 43.15 H new ATOM 0 HB2 ASP A 56 -3.426 14.471 -14.417 1.00 32.44 H new ATOM 0 HB3 ASP A 56 -1.830 14.527 -15.138 1.00 32.44 H new ATOM 861 N GLN A 57 -0.909 11.959 -16.481 1.00 74.22 N ATOM 862 CA GLN A 57 0.166 11.602 -17.399 1.00 20.21 C ATOM 863 C GLN A 57 0.193 10.097 -17.647 1.00 52.21 C ATOM 864 O GLN A 57 1.182 9.557 -18.143 1.00 24.41 O ATOM 865 CB GLN A 57 1.514 12.063 -16.842 1.00 61.12 C ATOM 866 CG GLN A 57 1.559 13.545 -16.505 1.00 74.44 C ATOM 867 CD GLN A 57 2.750 13.912 -15.643 1.00 63.43 C ATOM 868 OE1 GLN A 57 3.692 13.131 -15.501 1.00 43.45 O ATOM 869 NE2 GLN A 57 2.715 15.105 -15.062 1.00 25.13 N ATOM 0 H GLN A 57 -0.743 11.691 -15.511 1.00 74.22 H new ATOM 0 HA GLN A 57 -0.019 12.105 -18.348 1.00 20.21 H new ATOM 0 HB2 GLN A 57 1.743 11.488 -15.945 1.00 61.12 H new ATOM 0 HB3 GLN A 57 2.294 11.841 -17.570 1.00 61.12 H new ATOM 0 HG2 GLN A 57 1.592 14.123 -17.429 1.00 74.44 H new ATOM 0 HG3 GLN A 57 0.641 13.824 -15.987 1.00 74.44 H new ATOM 0 HE21 GLN A 57 1.914 15.720 -15.207 1.00 25.13 H new ATOM 0 HE22 GLN A 57 3.489 15.407 -14.470 1.00 25.13 H new ATOM 878 N LEU A 58 -0.899 9.426 -17.299 1.00 74.24 N ATOM 879 CA LEU A 58 -1.002 7.982 -17.484 1.00 45.41 C ATOM 880 C LEU A 58 -2.053 7.641 -18.535 1.00 60.01 C ATOM 881 O LEU A 58 -3.053 8.345 -18.679 1.00 22.22 O ATOM 882 CB LEU A 58 -1.349 7.302 -16.159 1.00 1.01 C ATOM 883 CG LEU A 58 -0.204 7.166 -15.154 1.00 14.11 C ATOM 884 CD1 LEU A 58 -0.714 6.600 -13.838 1.00 12.23 C ATOM 885 CD2 LEU A 58 0.902 6.289 -15.721 1.00 71.41 C ATOM 0 H LEU A 58 -1.726 9.858 -16.887 1.00 74.24 H new ATOM 0 HA LEU A 58 -0.036 7.615 -17.831 1.00 45.41 H new ATOM 0 HB2 LEU A 58 -2.156 7.862 -15.687 1.00 1.01 H new ATOM 0 HB3 LEU A 58 -1.736 6.306 -16.375 1.00 1.01 H new ATOM 0 HG LEU A 58 0.207 8.157 -14.964 1.00 14.11 H new ATOM 0 HD11 LEU A 58 0.114 6.510 -13.135 1.00 12.23 H new ATOM 0 HD12 LEU A 58 -1.470 7.267 -13.424 1.00 12.23 H new ATOM 0 HD13 LEU A 58 -1.152 5.617 -14.010 1.00 12.23 H new ATOM 0 HD21 LEU A 58 1.708 6.203 -14.992 1.00 71.41 H new ATOM 0 HD22 LEU A 58 0.504 5.298 -15.940 1.00 71.41 H new ATOM 0 HD23 LEU A 58 1.287 6.736 -16.637 1.00 71.41 H new ATOM 897 N ASP A 59 -1.821 6.556 -19.265 1.00 71.15 N ATOM 898 CA ASP A 59 -2.750 6.119 -20.301 1.00 61.43 C ATOM 899 C ASP A 59 -3.541 4.898 -19.841 1.00 53.15 C ATOM 900 O ASP A 59 -3.217 4.282 -18.827 1.00 25.42 O ATOM 901 CB ASP A 59 -1.994 5.795 -21.591 1.00 2.41 C ATOM 902 CG ASP A 59 -2.896 5.806 -22.809 1.00 41.42 C ATOM 903 OD1 ASP A 59 -3.216 6.909 -23.301 1.00 13.12 O ATOM 904 OD2 ASP A 59 -3.281 4.712 -23.272 1.00 2.42 O ATOM 0 H ASP A 59 -0.998 5.963 -19.159 1.00 71.15 H new ATOM 0 HA ASP A 59 -3.450 6.932 -20.494 1.00 61.43 H new ATOM 0 HB2 ASP A 59 -1.192 6.520 -21.730 1.00 2.41 H new ATOM 0 HB3 ASP A 59 -1.526 4.815 -21.498 1.00 2.41 H new ATOM 909 N SER A 60 -4.582 4.556 -20.594 1.00 63.35 N ATOM 910 CA SER A 60 -5.423 3.412 -20.262 1.00 22.14 C ATOM 911 C SER A 60 -4.609 2.121 -20.262 1.00 13.22 C ATOM 912 O SER A 60 -4.785 1.265 -19.396 1.00 31.13 O ATOM 913 CB SER A 60 -6.582 3.298 -21.254 1.00 45.10 C ATOM 914 OG SER A 60 -7.237 2.048 -21.132 1.00 23.53 O ATOM 0 H SER A 60 -4.863 5.055 -21.438 1.00 63.35 H new ATOM 0 HA SER A 60 -5.826 3.567 -19.261 1.00 22.14 H new ATOM 0 HB2 SER A 60 -7.295 4.104 -21.079 1.00 45.10 H new ATOM 0 HB3 SER A 60 -6.208 3.418 -22.271 1.00 45.10 H new ATOM 0 HG SER A 60 -7.975 2.001 -21.776 1.00 23.53 H new ATOM 920 N GLN A 61 -3.719 1.990 -21.240 1.00 52.41 N ATOM 921 CA GLN A 61 -2.879 0.804 -21.354 1.00 41.21 C ATOM 922 C GLN A 61 -1.783 0.810 -20.294 1.00 21.54 C ATOM 923 O GLN A 61 -1.347 -0.245 -19.832 1.00 70.30 O ATOM 924 CB GLN A 61 -2.255 0.727 -22.749 1.00 13.23 C ATOM 925 CG GLN A 61 -1.197 -0.356 -22.883 1.00 73.01 C ATOM 926 CD GLN A 61 -1.137 -0.942 -24.280 1.00 25.53 C ATOM 927 OE1 GLN A 61 -1.765 -0.432 -25.208 1.00 23.03 O ATOM 928 NE2 GLN A 61 -0.378 -2.021 -24.437 1.00 4.31 N ATOM 0 H GLN A 61 -3.561 2.690 -21.965 1.00 52.41 H new ATOM 0 HA GLN A 61 -3.508 -0.072 -21.196 1.00 41.21 H new ATOM 0 HB2 GLN A 61 -3.042 0.547 -23.481 1.00 13.23 H new ATOM 0 HB3 GLN A 61 -1.809 1.691 -22.992 1.00 13.23 H new ATOM 0 HG2 GLN A 61 -0.223 0.059 -22.625 1.00 73.01 H new ATOM 0 HG3 GLN A 61 -1.404 -1.152 -22.168 1.00 73.01 H new ATOM 0 HE21 GLN A 61 0.125 -2.411 -23.640 1.00 4.31 H new ATOM 0 HE22 GLN A 61 -0.299 -2.460 -25.354 1.00 4.31 H new ATOM 937 N ASP A 62 -1.342 2.003 -19.912 1.00 44.12 N ATOM 938 CA ASP A 62 -0.296 2.146 -18.905 1.00 75.12 C ATOM 939 C ASP A 62 -0.643 1.356 -17.647 1.00 23.01 C ATOM 940 O ASP A 62 0.235 0.793 -16.993 1.00 63.40 O ATOM 941 CB ASP A 62 -0.093 3.621 -18.556 1.00 42.15 C ATOM 942 CG ASP A 62 1.247 3.880 -17.896 1.00 40.22 C ATOM 943 OD1 ASP A 62 1.592 3.147 -16.946 1.00 23.12 O ATOM 944 OD2 ASP A 62 1.951 4.816 -18.330 1.00 72.32 O ATOM 0 H ASP A 62 -1.692 2.886 -20.284 1.00 44.12 H new ATOM 0 HA ASP A 62 0.630 1.748 -19.319 1.00 75.12 H new ATOM 0 HB2 ASP A 62 -0.170 4.220 -19.463 1.00 42.15 H new ATOM 0 HB3 ASP A 62 -0.892 3.947 -17.890 1.00 42.15 H new ATOM 949 N LYS A 63 -1.928 1.320 -17.312 1.00 70.33 N ATOM 950 CA LYS A 63 -2.392 0.599 -16.133 1.00 0.24 C ATOM 951 C LYS A 63 -2.201 -0.904 -16.303 1.00 70.43 C ATOM 952 O LYS A 63 -1.718 -1.586 -15.398 1.00 43.12 O ATOM 953 CB LYS A 63 -3.867 0.910 -15.867 1.00 62.12 C ATOM 954 CG LYS A 63 -4.083 2.135 -14.995 1.00 71.33 C ATOM 955 CD LYS A 63 -3.972 3.419 -15.800 1.00 73.32 C ATOM 956 CE LYS A 63 -4.463 4.619 -15.005 1.00 71.12 C ATOM 957 NZ LYS A 63 -5.948 4.645 -14.900 1.00 73.12 N ATOM 0 H LYS A 63 -2.667 1.782 -17.841 1.00 70.33 H new ATOM 0 HA LYS A 63 -1.798 0.928 -15.280 1.00 0.24 H new ATOM 0 HB2 LYS A 63 -4.376 1.058 -16.819 1.00 62.12 H new ATOM 0 HB3 LYS A 63 -4.331 0.047 -15.389 1.00 62.12 H new ATOM 0 HG2 LYS A 63 -5.066 2.081 -14.528 1.00 71.33 H new ATOM 0 HG3 LYS A 63 -3.348 2.144 -14.190 1.00 71.33 H new ATOM 0 HD2 LYS A 63 -2.935 3.576 -16.095 1.00 73.32 H new ATOM 0 HD3 LYS A 63 -4.554 3.326 -16.717 1.00 73.32 H new ATOM 0 HE2 LYS A 63 -4.029 4.595 -14.006 1.00 71.12 H new ATOM 0 HE3 LYS A 63 -4.117 5.536 -15.481 1.00 71.12 H new ATOM 0 HZ1 LYS A 63 -6.252 5.557 -14.502 1.00 73.12 H new ATOM 0 HZ2 LYS A 63 -6.365 4.523 -15.845 1.00 73.12 H new ATOM 0 HZ3 LYS A 63 -6.266 3.873 -14.279 1.00 73.12 H new ATOM 971 N LEU A 64 -2.582 -1.416 -17.469 1.00 4.13 N ATOM 972 CA LEU A 64 -2.451 -2.840 -17.759 1.00 3.42 C ATOM 973 C LEU A 64 -0.989 -3.273 -17.711 1.00 40.21 C ATOM 974 O LEU A 64 -0.674 -4.381 -17.279 1.00 21.44 O ATOM 975 CB LEU A 64 -3.044 -3.157 -19.133 1.00 1.14 C ATOM 976 CG LEU A 64 -4.543 -3.457 -19.163 1.00 50.24 C ATOM 977 CD1 LEU A 64 -4.849 -4.730 -18.390 1.00 4.13 C ATOM 978 CD2 LEU A 64 -5.333 -2.285 -18.599 1.00 50.00 C ATOM 0 H LEU A 64 -2.984 -0.866 -18.228 1.00 4.13 H new ATOM 0 HA LEU A 64 -3.000 -3.393 -16.997 1.00 3.42 H new ATOM 0 HB2 LEU A 64 -2.849 -2.313 -19.794 1.00 1.14 H new ATOM 0 HB3 LEU A 64 -2.514 -4.015 -19.547 1.00 1.14 H new ATOM 0 HG LEU A 64 -4.843 -3.606 -20.200 1.00 50.24 H new ATOM 0 HD11 LEU A 64 -5.921 -4.927 -18.423 1.00 4.13 H new ATOM 0 HD12 LEU A 64 -4.313 -5.566 -18.839 1.00 4.13 H new ATOM 0 HD13 LEU A 64 -4.533 -4.611 -17.353 1.00 4.13 H new ATOM 0 HD21 LEU A 64 -6.398 -2.516 -18.628 1.00 50.00 H new ATOM 0 HD22 LEU A 64 -5.029 -2.104 -17.568 1.00 50.00 H new ATOM 0 HD23 LEU A 64 -5.139 -1.394 -19.196 1.00 50.00 H new ATOM 990 N TRP A 65 -0.101 -2.391 -18.156 1.00 54.11 N ATOM 991 CA TRP A 65 1.328 -2.682 -18.162 1.00 11.30 C ATOM 992 C TRP A 65 1.805 -3.095 -16.774 1.00 70.01 C ATOM 993 O TRP A 65 2.738 -3.886 -16.639 1.00 34.43 O ATOM 994 CB TRP A 65 2.115 -1.462 -18.643 1.00 64.03 C ATOM 995 CG TRP A 65 3.599 -1.618 -18.500 1.00 21.43 C ATOM 996 CD1 TRP A 65 4.447 -2.236 -19.375 1.00 14.23 C ATOM 997 CD2 TRP A 65 4.409 -1.151 -17.416 1.00 20.25 C ATOM 998 NE1 TRP A 65 5.735 -2.181 -18.900 1.00 12.53 N ATOM 999 CE2 TRP A 65 5.739 -1.520 -17.700 1.00 14.40 C ATOM 1000 CE3 TRP A 65 4.141 -0.456 -16.233 1.00 42.14 C ATOM 1001 CZ2 TRP A 65 6.794 -1.216 -16.844 1.00 61.31 C ATOM 1002 CZ3 TRP A 65 5.190 -0.156 -15.385 1.00 12.22 C ATOM 1003 CH2 TRP A 65 6.503 -0.535 -15.694 1.00 11.14 C ATOM 0 H TRP A 65 -0.345 -1.469 -18.517 1.00 54.11 H new ATOM 0 HA TRP A 65 1.502 -3.512 -18.847 1.00 11.30 H new ATOM 0 HB2 TRP A 65 1.876 -1.274 -19.690 1.00 64.03 H new ATOM 0 HB3 TRP A 65 1.793 -0.586 -18.080 1.00 64.03 H new ATOM 0 HD1 TRP A 65 4.149 -2.700 -20.304 1.00 14.23 H new ATOM 0 HE1 TRP A 65 6.555 -2.569 -19.365 1.00 12.53 H new ATOM 0 HE3 TRP A 65 3.132 -0.159 -15.986 1.00 42.14 H new ATOM 0 HZ2 TRP A 65 7.807 -1.508 -17.080 1.00 61.31 H new ATOM 0 HZ3 TRP A 65 4.994 0.380 -14.468 1.00 12.22 H new ATOM 0 HH2 TRP A 65 7.301 -0.285 -15.011 1.00 11.14 H new ATOM 1014 N ALA A 66 1.159 -2.555 -15.746 1.00 4.32 N ATOM 1015 CA ALA A 66 1.517 -2.870 -14.368 1.00 40.24 C ATOM 1016 C ALA A 66 1.147 -4.307 -14.020 1.00 75.51 C ATOM 1017 O ALA A 66 1.834 -4.964 -13.238 1.00 44.20 O ATOM 1018 CB ALA A 66 0.838 -1.901 -13.412 1.00 34.22 C ATOM 0 H ALA A 66 0.385 -1.897 -15.841 1.00 4.32 H new ATOM 0 HA ALA A 66 2.597 -2.766 -14.266 1.00 40.24 H new ATOM 0 HB1 ALA A 66 1.114 -2.148 -12.387 1.00 34.22 H new ATOM 0 HB2 ALA A 66 1.156 -0.883 -13.639 1.00 34.22 H new ATOM 0 HB3 ALA A 66 -0.244 -1.976 -13.525 1.00 34.22 H new ATOM 1024 N ASP A 67 0.056 -4.790 -14.605 1.00 32.43 N ATOM 1025 CA ASP A 67 -0.406 -6.151 -14.356 1.00 70.23 C ATOM 1026 C ASP A 67 0.514 -7.168 -15.024 1.00 44.14 C ATOM 1027 O ASP A 67 0.730 -8.261 -14.502 1.00 75.11 O ATOM 1028 CB ASP A 67 -1.837 -6.328 -14.866 1.00 51.11 C ATOM 1029 CG ASP A 67 -2.393 -7.706 -14.564 1.00 52.44 C ATOM 1030 OD1 ASP A 67 -1.992 -8.295 -13.540 1.00 32.44 O ATOM 1031 OD2 ASP A 67 -3.229 -8.194 -15.354 1.00 21.54 O ATOM 0 H ASP A 67 -0.525 -4.260 -15.255 1.00 32.43 H new ATOM 0 HA ASP A 67 -0.388 -6.323 -13.280 1.00 70.23 H new ATOM 0 HB2 ASP A 67 -2.478 -5.573 -14.411 1.00 51.11 H new ATOM 0 HB3 ASP A 67 -1.860 -6.158 -15.942 1.00 51.11 H new ATOM 1036 N GLU A 68 1.053 -6.799 -16.182 1.00 64.54 N ATOM 1037 CA GLU A 68 1.949 -7.681 -16.922 1.00 71.02 C ATOM 1038 C GLU A 68 3.117 -8.128 -16.048 1.00 32.42 C ATOM 1039 O GLU A 68 3.639 -9.232 -16.207 1.00 43.42 O ATOM 1040 CB GLU A 68 2.476 -6.976 -18.174 1.00 15.11 C ATOM 1041 CG GLU A 68 1.526 -7.048 -19.358 1.00 63.41 C ATOM 1042 CD GLU A 68 0.228 -6.305 -19.111 1.00 73.43 C ATOM 1043 OE1 GLU A 68 -0.623 -6.829 -18.363 1.00 33.33 O ATOM 1044 OE2 GLU A 68 0.063 -5.199 -19.667 1.00 60.11 O ATOM 0 H GLU A 68 0.885 -5.897 -16.628 1.00 64.54 H new ATOM 0 HA GLU A 68 1.383 -8.563 -17.221 1.00 71.02 H new ATOM 0 HB2 GLU A 68 2.670 -5.930 -17.937 1.00 15.11 H new ATOM 0 HB3 GLU A 68 3.430 -7.421 -18.457 1.00 15.11 H new ATOM 0 HG2 GLU A 68 2.016 -6.632 -20.238 1.00 63.41 H new ATOM 0 HG3 GLU A 68 1.306 -8.092 -19.579 1.00 63.41 H new ATOM 1051 N VAL A 69 3.522 -7.263 -15.123 1.00 73.24 N ATOM 1052 CA VAL A 69 4.627 -7.568 -14.223 1.00 21.21 C ATOM 1053 C VAL A 69 4.198 -8.551 -13.139 1.00 50.31 C ATOM 1054 O VAL A 69 4.935 -9.476 -12.799 1.00 21.04 O ATOM 1055 CB VAL A 69 5.176 -6.293 -13.556 1.00 41.21 C ATOM 1056 CG1 VAL A 69 6.443 -6.602 -12.773 1.00 34.42 C ATOM 1057 CG2 VAL A 69 5.434 -5.216 -14.599 1.00 1.20 C ATOM 0 H VAL A 69 3.101 -6.345 -14.978 1.00 73.24 H new ATOM 0 HA VAL A 69 5.413 -8.020 -14.829 1.00 21.21 H new ATOM 0 HB VAL A 69 4.428 -5.919 -12.857 1.00 41.21 H new ATOM 0 HG11 VAL A 69 6.816 -5.689 -12.309 1.00 34.42 H new ATOM 0 HG12 VAL A 69 6.222 -7.338 -12.000 1.00 34.42 H new ATOM 0 HG13 VAL A 69 7.200 -7.001 -13.448 1.00 34.42 H new ATOM 0 HG21 VAL A 69 5.822 -4.322 -14.111 1.00 1.20 H new ATOM 0 HG22 VAL A 69 6.163 -5.579 -15.324 1.00 1.20 H new ATOM 0 HG23 VAL A 69 4.502 -4.975 -15.111 1.00 1.20 H new ATOM 1067 N ARG A 70 3.001 -8.343 -12.601 1.00 33.43 N ATOM 1068 CA ARG A 70 2.473 -9.211 -11.554 1.00 40.33 C ATOM 1069 C ARG A 70 2.293 -10.636 -12.069 1.00 24.02 C ATOM 1070 O ARG A 70 2.763 -11.592 -11.452 1.00 50.23 O ATOM 1071 CB ARG A 70 1.137 -8.671 -11.040 1.00 43.41 C ATOM 1072 CG ARG A 70 1.102 -8.466 -9.534 1.00 44.44 C ATOM 1073 CD ARG A 70 0.722 -7.038 -9.175 1.00 50.34 C ATOM 1074 NE ARG A 70 -0.264 -6.988 -8.099 1.00 74.15 N ATOM 1075 CZ ARG A 70 -0.693 -5.859 -7.547 1.00 54.33 C ATOM 1076 NH1 ARG A 70 -0.225 -4.692 -7.968 1.00 15.30 N ATOM 1077 NH2 ARG A 70 -1.593 -5.895 -6.573 1.00 21.25 N ATOM 0 H ARG A 70 2.378 -7.582 -12.872 1.00 33.43 H new ATOM 0 HA ARG A 70 3.191 -9.227 -10.734 1.00 40.33 H new ATOM 0 HB2 ARG A 70 0.925 -7.722 -11.532 1.00 43.41 H new ATOM 0 HB3 ARG A 70 0.343 -9.362 -11.323 1.00 43.41 H new ATOM 0 HG2 ARG A 70 0.387 -9.157 -9.088 1.00 44.44 H new ATOM 0 HG3 ARG A 70 2.079 -8.701 -9.111 1.00 44.44 H new ATOM 0 HD2 ARG A 70 1.615 -6.490 -8.874 1.00 50.34 H new ATOM 0 HD3 ARG A 70 0.322 -6.537 -10.057 1.00 50.34 H new ATOM 0 HE ARG A 70 -0.644 -7.869 -7.752 1.00 74.15 H new ATOM 0 HH11 ARG A 70 0.466 -4.660 -8.717 1.00 15.30 H new ATOM 0 HH12 ARG A 70 -0.556 -3.826 -7.542 1.00 15.30 H new ATOM 0 HH21 ARG A 70 -1.956 -6.791 -6.247 1.00 21.25 H new ATOM 0 HH22 ARG A 70 -1.922 -5.027 -6.150 1.00 21.25 H new ATOM 1091 N GLU A 71 1.610 -10.769 -13.201 1.00 64.35 N ATOM 1092 CA GLU A 71 1.368 -12.078 -13.797 1.00 60.01 C ATOM 1093 C GLU A 71 2.675 -12.844 -13.978 1.00 24.25 C ATOM 1094 O GLU A 71 2.707 -14.072 -13.880 1.00 44.34 O ATOM 1095 CB GLU A 71 0.663 -11.926 -15.146 1.00 73.25 C ATOM 1096 CG GLU A 71 1.466 -11.139 -16.168 1.00 1.10 C ATOM 1097 CD GLU A 71 0.826 -11.144 -17.543 1.00 1.54 C ATOM 1098 OE1 GLU A 71 -0.108 -10.345 -17.764 1.00 14.01 O ATOM 1099 OE2 GLU A 71 1.259 -11.945 -18.397 1.00 31.14 O ATOM 0 H GLU A 71 1.215 -9.987 -13.724 1.00 64.35 H new ATOM 0 HA GLU A 71 0.726 -12.643 -13.121 1.00 60.01 H new ATOM 0 HB2 GLU A 71 0.450 -12.916 -15.549 1.00 73.25 H new ATOM 0 HB3 GLU A 71 -0.296 -11.432 -14.991 1.00 73.25 H new ATOM 0 HG2 GLU A 71 1.574 -10.110 -15.825 1.00 1.10 H new ATOM 0 HG3 GLU A 71 2.470 -11.559 -16.237 1.00 1.10 H new ATOM 1106 N LEU A 72 3.752 -12.112 -14.241 1.00 53.33 N ATOM 1107 CA LEU A 72 5.063 -12.721 -14.436 1.00 52.12 C ATOM 1108 C LEU A 72 5.664 -13.158 -13.104 1.00 74.21 C ATOM 1109 O LEU A 72 6.439 -14.113 -13.045 1.00 13.42 O ATOM 1110 CB LEU A 72 6.004 -11.739 -15.135 1.00 45.15 C ATOM 1111 CG LEU A 72 6.284 -12.014 -16.614 1.00 14.45 C ATOM 1112 CD1 LEU A 72 6.772 -10.752 -17.308 1.00 53.21 C ATOM 1113 CD2 LEU A 72 7.301 -13.135 -16.765 1.00 32.33 C ATOM 0 H LEU A 72 3.743 -11.095 -14.324 1.00 53.33 H new ATOM 0 HA LEU A 72 4.937 -13.603 -15.063 1.00 52.12 H new ATOM 0 HB2 LEU A 72 5.583 -10.737 -15.046 1.00 45.15 H new ATOM 0 HB3 LEU A 72 6.954 -11.734 -14.601 1.00 45.15 H new ATOM 0 HG LEU A 72 5.354 -12.328 -17.088 1.00 14.45 H new ATOM 0 HD11 LEU A 72 6.966 -10.967 -18.359 1.00 53.21 H new ATOM 0 HD12 LEU A 72 6.010 -9.976 -17.231 1.00 53.21 H new ATOM 0 HD13 LEU A 72 7.690 -10.407 -16.833 1.00 53.21 H new ATOM 0 HD21 LEU A 72 7.488 -13.317 -17.823 1.00 32.33 H new ATOM 0 HD22 LEU A 72 8.232 -12.850 -16.276 1.00 32.33 H new ATOM 0 HD23 LEU A 72 6.913 -14.043 -16.304 1.00 32.33 H new ATOM 1125 N SER A 73 5.299 -12.455 -12.037 1.00 13.21 N ATOM 1126 CA SER A 73 5.803 -12.769 -10.705 1.00 72.32 C ATOM 1127 C SER A 73 5.600 -14.247 -10.383 1.00 2.45 C ATOM 1128 O SER A 73 6.389 -14.848 -9.653 1.00 13.03 O ATOM 1129 CB SER A 73 5.102 -11.905 -9.655 1.00 24.44 C ATOM 1130 OG SER A 73 5.251 -10.527 -9.946 1.00 41.35 O ATOM 0 H SER A 73 4.656 -11.664 -12.069 1.00 13.21 H new ATOM 0 HA SER A 73 6.871 -12.554 -10.687 1.00 72.32 H new ATOM 0 HB2 SER A 73 4.043 -12.160 -9.618 1.00 24.44 H new ATOM 0 HB3 SER A 73 5.515 -12.118 -8.669 1.00 24.44 H new ATOM 0 HG SER A 73 4.665 -10.004 -9.360 1.00 41.35 H new ATOM 1136 N TYR A 74 4.538 -14.825 -10.931 1.00 70.15 N ATOM 1137 CA TYR A 74 4.229 -16.231 -10.701 1.00 71.30 C ATOM 1138 C TYR A 74 5.363 -17.126 -11.192 1.00 2.24 C ATOM 1139 O TYR A 74 5.765 -18.069 -10.510 1.00 75.53 O ATOM 1140 CB TYR A 74 2.925 -16.610 -11.405 1.00 33.44 C ATOM 1141 CG TYR A 74 1.710 -16.544 -10.506 1.00 45.11 C ATOM 1142 CD1 TYR A 74 1.525 -15.479 -9.633 1.00 71.03 C ATOM 1143 CD2 TYR A 74 0.748 -17.546 -10.531 1.00 1.02 C ATOM 1144 CE1 TYR A 74 0.417 -15.415 -8.810 1.00 44.22 C ATOM 1145 CE2 TYR A 74 -0.363 -17.489 -9.712 1.00 74.33 C ATOM 1146 CZ TYR A 74 -0.524 -16.422 -8.853 1.00 61.04 C ATOM 1147 OH TYR A 74 -1.629 -16.361 -8.036 1.00 53.01 O ATOM 0 H TYR A 74 3.876 -14.342 -11.538 1.00 70.15 H new ATOM 0 HA TYR A 74 4.112 -16.380 -9.628 1.00 71.30 H new ATOM 0 HB2 TYR A 74 2.774 -15.945 -12.255 1.00 33.44 H new ATOM 0 HB3 TYR A 74 3.017 -17.620 -11.803 1.00 33.44 H new ATOM 0 HD1 TYR A 74 2.260 -14.688 -9.597 1.00 71.03 H new ATOM 0 HD2 TYR A 74 0.871 -18.383 -11.202 1.00 1.02 H new ATOM 0 HE1 TYR A 74 0.289 -14.581 -8.136 1.00 44.22 H new ATOM 0 HE2 TYR A 74 -1.102 -18.276 -9.744 1.00 74.33 H new ATOM 0 HH TYR A 74 -2.194 -17.147 -8.190 1.00 53.01 H new ATOM 1157 N VAL A 75 5.877 -16.821 -12.379 1.00 72.43 N ATOM 1158 CA VAL A 75 6.966 -17.595 -12.962 1.00 62.52 C ATOM 1159 C VAL A 75 8.146 -17.693 -12.002 1.00 3.01 C ATOM 1160 O VAL A 75 8.916 -18.654 -12.044 1.00 14.45 O ATOM 1161 CB VAL A 75 7.447 -16.977 -14.288 1.00 43.12 C ATOM 1162 CG1 VAL A 75 8.473 -17.879 -14.957 1.00 42.12 C ATOM 1163 CG2 VAL A 75 6.268 -16.719 -15.214 1.00 2.41 C ATOM 0 H VAL A 75 5.557 -16.043 -12.956 1.00 72.43 H new ATOM 0 HA VAL A 75 6.575 -18.594 -13.156 1.00 62.52 H new ATOM 0 HB VAL A 75 7.925 -16.022 -14.071 1.00 43.12 H new ATOM 0 HG11 VAL A 75 8.801 -17.426 -15.892 1.00 42.12 H new ATOM 0 HG12 VAL A 75 9.330 -18.008 -14.296 1.00 42.12 H new ATOM 0 HG13 VAL A 75 8.024 -18.851 -15.163 1.00 42.12 H new ATOM 0 HG21 VAL A 75 6.626 -16.282 -16.146 1.00 2.41 H new ATOM 0 HG22 VAL A 75 5.759 -17.659 -15.426 1.00 2.41 H new ATOM 0 HG23 VAL A 75 5.573 -16.030 -14.734 1.00 2.41 H new ATOM 1173 N ILE A 76 8.283 -16.693 -11.137 1.00 74.15 N ATOM 1174 CA ILE A 76 9.368 -16.667 -10.165 1.00 63.23 C ATOM 1175 C ILE A 76 9.271 -17.844 -9.201 1.00 32.42 C ATOM 1176 O ILE A 76 10.283 -18.342 -8.710 1.00 64.31 O ATOM 1177 CB ILE A 76 9.370 -15.356 -9.358 1.00 40.41 C ATOM 1178 CG1 ILE A 76 9.414 -14.151 -10.301 1.00 34.22 C ATOM 1179 CG2 ILE A 76 10.550 -15.326 -8.398 1.00 34.33 C ATOM 1180 CD1 ILE A 76 9.303 -12.822 -9.588 1.00 2.41 C ATOM 0 H ILE A 76 7.656 -15.890 -11.090 1.00 74.15 H new ATOM 0 HA ILE A 76 10.298 -16.738 -10.729 1.00 63.23 H new ATOM 0 HB ILE A 76 8.451 -15.305 -8.775 1.00 40.41 H new ATOM 0 HG12 ILE A 76 10.347 -14.175 -10.865 1.00 34.22 H new ATOM 0 HG13 ILE A 76 8.602 -14.235 -11.024 1.00 34.22 H new ATOM 0 HG21 ILE A 76 10.537 -14.393 -7.835 1.00 34.33 H new ATOM 0 HG22 ILE A 76 10.479 -16.167 -7.708 1.00 34.33 H new ATOM 0 HG23 ILE A 76 11.480 -15.397 -8.962 1.00 34.33 H new ATOM 0 HD11 ILE A 76 9.341 -12.013 -10.318 1.00 2.41 H new ATOM 0 HD12 ILE A 76 8.358 -12.777 -9.046 1.00 2.41 H new ATOM 0 HD13 ILE A 76 10.129 -12.716 -8.885 1.00 2.41 H new ATOM 1192 N GLU A 77 8.045 -18.285 -8.936 1.00 31.15 N ATOM 1193 CA GLU A 77 7.816 -19.405 -8.030 1.00 72.13 C ATOM 1194 C GLU A 77 8.672 -20.606 -8.423 1.00 12.12 C ATOM 1195 O GLU A 77 9.139 -21.356 -7.565 1.00 55.13 O ATOM 1196 CB GLU A 77 6.337 -19.797 -8.032 1.00 53.21 C ATOM 1197 CG GLU A 77 5.959 -20.755 -6.915 1.00 4.34 C ATOM 1198 CD GLU A 77 4.669 -21.500 -7.196 1.00 1.01 C ATOM 1199 OE1 GLU A 77 4.065 -21.261 -8.262 1.00 44.34 O ATOM 1200 OE2 GLU A 77 4.263 -22.323 -6.349 1.00 25.23 O ATOM 0 H GLU A 77 7.196 -17.884 -9.335 1.00 31.15 H new ATOM 0 HA GLU A 77 8.100 -19.091 -7.026 1.00 72.13 H new ATOM 0 HB2 GLU A 77 5.731 -18.895 -7.946 1.00 53.21 H new ATOM 0 HB3 GLU A 77 6.093 -20.255 -8.990 1.00 53.21 H new ATOM 0 HG2 GLU A 77 6.765 -21.474 -6.770 1.00 4.34 H new ATOM 0 HG3 GLU A 77 5.857 -20.199 -5.983 1.00 4.34 H new ATOM 1207 N ASP A 78 8.873 -20.781 -9.724 1.00 72.32 N ATOM 1208 CA ASP A 78 9.673 -21.890 -10.232 1.00 34.13 C ATOM 1209 C ASP A 78 11.090 -21.840 -9.670 1.00 10.52 C ATOM 1210 O ASP A 78 11.706 -22.875 -9.419 1.00 12.15 O ATOM 1211 CB ASP A 78 9.715 -21.858 -11.760 1.00 62.42 C ATOM 1212 CG ASP A 78 8.532 -22.570 -12.387 1.00 43.12 C ATOM 1213 OD1 ASP A 78 7.401 -22.394 -11.888 1.00 21.43 O ATOM 1214 OD2 ASP A 78 8.738 -23.301 -13.378 1.00 33.50 O ATOM 0 H ASP A 78 8.493 -20.169 -10.447 1.00 72.32 H new ATOM 0 HA ASP A 78 9.206 -22.821 -9.909 1.00 34.13 H new ATOM 0 HB2 ASP A 78 9.733 -20.822 -12.098 1.00 62.42 H new ATOM 0 HB3 ASP A 78 10.639 -22.322 -12.105 1.00 62.42 H new ATOM 1219 N ALA A 79 11.601 -20.628 -9.476 1.00 65.33 N ATOM 1220 CA ALA A 79 12.945 -20.443 -8.944 1.00 5.24 C ATOM 1221 C ALA A 79 13.132 -21.217 -7.643 1.00 1.41 C ATOM 1222 O ALA A 79 14.126 -21.921 -7.465 1.00 73.31 O ATOM 1223 CB ALA A 79 13.227 -18.964 -8.725 1.00 41.40 C ATOM 0 H ALA A 79 11.104 -19.761 -9.679 1.00 65.33 H new ATOM 0 HA ALA A 79 13.655 -20.833 -9.674 1.00 5.24 H new ATOM 0 HB1 ALA A 79 14.234 -18.841 -8.327 1.00 41.40 H new ATOM 0 HB2 ALA A 79 13.144 -18.433 -9.673 1.00 41.40 H new ATOM 0 HB3 ALA A 79 12.505 -18.557 -8.017 1.00 41.40 H new ATOM 1229 N VAL A 80 12.170 -21.080 -6.735 1.00 65.23 N ATOM 1230 CA VAL A 80 12.229 -21.767 -5.451 1.00 12.05 C ATOM 1231 C VAL A 80 11.675 -23.183 -5.559 1.00 23.31 C ATOM 1232 O VAL A 80 12.045 -24.066 -4.784 1.00 73.24 O ATOM 1233 CB VAL A 80 11.443 -21.002 -4.369 1.00 3.11 C ATOM 1234 CG1 VAL A 80 12.129 -19.684 -4.043 1.00 55.41 C ATOM 1235 CG2 VAL A 80 10.008 -20.770 -4.817 1.00 43.22 C ATOM 0 H VAL A 80 11.341 -20.500 -6.865 1.00 65.23 H new ATOM 0 HA VAL A 80 13.280 -21.812 -5.164 1.00 12.05 H new ATOM 0 HB VAL A 80 11.422 -21.607 -3.463 1.00 3.11 H new ATOM 0 HG11 VAL A 80 11.560 -19.157 -3.277 1.00 55.41 H new ATOM 0 HG12 VAL A 80 13.137 -19.879 -3.676 1.00 55.41 H new ATOM 0 HG13 VAL A 80 12.183 -19.070 -4.942 1.00 55.41 H new ATOM 0 HG21 VAL A 80 9.468 -20.228 -4.041 1.00 43.22 H new ATOM 0 HG22 VAL A 80 10.004 -20.185 -5.737 1.00 43.22 H new ATOM 0 HG23 VAL A 80 9.523 -21.730 -4.995 1.00 43.22 H new ATOM 1245 N ASP A 81 10.788 -23.393 -6.525 1.00 32.32 N ATOM 1246 CA ASP A 81 10.184 -24.704 -6.736 1.00 54.44 C ATOM 1247 C ASP A 81 11.253 -25.760 -6.995 1.00 43.25 C ATOM 1248 O ASP A 81 11.149 -26.893 -6.526 1.00 72.32 O ATOM 1249 CB ASP A 81 9.204 -24.654 -7.910 1.00 12.53 C ATOM 1250 CG ASP A 81 8.369 -25.914 -8.021 1.00 63.33 C ATOM 1251 OD1 ASP A 81 7.902 -26.411 -6.975 1.00 41.51 O ATOM 1252 OD2 ASP A 81 8.184 -26.405 -9.155 1.00 20.33 O ATOM 0 H ASP A 81 10.471 -22.673 -7.174 1.00 32.32 H new ATOM 0 HA ASP A 81 9.642 -24.977 -5.831 1.00 54.44 H new ATOM 0 HB2 ASP A 81 8.545 -23.794 -7.793 1.00 12.53 H new ATOM 0 HB3 ASP A 81 9.759 -24.506 -8.837 1.00 12.53 H new ATOM 1257 N LYS A 82 12.282 -25.381 -7.747 1.00 32.04 N ATOM 1258 CA LYS A 82 13.372 -26.294 -8.069 1.00 73.30 C ATOM 1259 C LYS A 82 13.985 -26.879 -6.801 1.00 32.23 C ATOM 1260 O LYS A 82 14.532 -27.982 -6.815 1.00 41.12 O ATOM 1261 CB LYS A 82 14.448 -25.570 -8.881 1.00 72.23 C ATOM 1262 CG LYS A 82 13.977 -25.127 -10.256 1.00 1.34 C ATOM 1263 CD LYS A 82 13.750 -26.313 -11.177 1.00 72.40 C ATOM 1264 CE LYS A 82 15.066 -26.919 -11.641 1.00 13.03 C ATOM 1265 NZ LYS A 82 15.905 -25.929 -12.370 1.00 45.11 N ATOM 0 H LYS A 82 12.383 -24.447 -8.145 1.00 32.04 H new ATOM 0 HA LYS A 82 12.964 -27.111 -8.664 1.00 73.30 H new ATOM 0 HB2 LYS A 82 14.786 -24.697 -8.323 1.00 72.23 H new ATOM 0 HB3 LYS A 82 15.309 -26.228 -8.996 1.00 72.23 H new ATOM 0 HG2 LYS A 82 13.052 -24.559 -10.159 1.00 1.34 H new ATOM 0 HG3 LYS A 82 14.717 -24.459 -10.697 1.00 1.34 H new ATOM 0 HD2 LYS A 82 13.162 -27.070 -10.658 1.00 72.40 H new ATOM 0 HD3 LYS A 82 13.169 -25.996 -12.043 1.00 72.40 H new ATOM 0 HE2 LYS A 82 15.616 -27.297 -10.779 1.00 13.03 H new ATOM 0 HE3 LYS A 82 14.865 -27.772 -12.289 1.00 13.03 H new ATOM 0 HZ1 LYS A 82 16.660 -26.426 -12.884 1.00 45.11 H new ATOM 0 HZ2 LYS A 82 15.314 -25.404 -13.046 1.00 45.11 H new ATOM 0 HZ3 LYS A 82 16.328 -25.265 -11.690 1.00 45.11 H new ATOM 1279 N PHE A 83 13.888 -26.134 -5.704 1.00 62.34 N ATOM 1280 CA PHE A 83 14.433 -26.580 -4.427 1.00 51.31 C ATOM 1281 C PHE A 83 13.558 -27.669 -3.813 1.00 4.10 C ATOM 1282 O PHE A 83 14.051 -28.558 -3.118 1.00 21.25 O ATOM 1283 CB PHE A 83 14.552 -25.400 -3.460 1.00 50.11 C ATOM 1284 CG PHE A 83 15.276 -25.738 -2.188 1.00 51.13 C ATOM 1285 CD1 PHE A 83 14.638 -26.440 -1.178 1.00 41.40 C ATOM 1286 CD2 PHE A 83 16.594 -25.353 -2.003 1.00 21.42 C ATOM 1287 CE1 PHE A 83 15.302 -26.753 -0.006 1.00 55.45 C ATOM 1288 CE2 PHE A 83 17.263 -25.664 -0.834 1.00 14.03 C ATOM 1289 CZ PHE A 83 16.615 -26.363 0.166 1.00 23.32 C ATOM 0 H PHE A 83 13.437 -25.219 -5.674 1.00 62.34 H new ATOM 0 HA PHE A 83 15.425 -26.994 -4.608 1.00 51.31 H new ATOM 0 HB2 PHE A 83 15.073 -24.583 -3.959 1.00 50.11 H new ATOM 0 HB3 PHE A 83 13.553 -25.039 -3.215 1.00 50.11 H new ATOM 0 HD1 PHE A 83 13.610 -26.746 -1.308 1.00 41.40 H new ATOM 0 HD2 PHE A 83 17.104 -24.804 -2.781 1.00 21.42 H new ATOM 0 HE1 PHE A 83 14.794 -27.302 0.773 1.00 55.45 H new ATOM 0 HE2 PHE A 83 18.291 -25.361 -0.703 1.00 14.03 H new ATOM 0 HZ PHE A 83 17.135 -26.604 1.081 1.00 23.32 H new ATOM 1299 N LEU A 84 12.258 -27.593 -4.074 1.00 42.53 N ATOM 1300 CA LEU A 84 11.313 -28.571 -3.548 1.00 22.15 C ATOM 1301 C LEU A 84 11.447 -29.904 -4.276 1.00 22.50 C ATOM 1302 O LEU A 84 10.852 -30.905 -3.876 1.00 73.01 O ATOM 1303 CB LEU A 84 9.882 -28.048 -3.677 1.00 54.20 C ATOM 1304 CG LEU A 84 9.660 -26.590 -3.271 1.00 24.33 C ATOM 1305 CD1 LEU A 84 8.228 -26.167 -3.559 1.00 65.24 C ATOM 1306 CD2 LEU A 84 9.991 -26.391 -1.799 1.00 11.03 C ATOM 0 H LEU A 84 11.834 -26.864 -4.647 1.00 42.53 H new ATOM 0 HA LEU A 84 11.541 -28.729 -2.494 1.00 22.15 H new ATOM 0 HB2 LEU A 84 9.565 -28.168 -4.713 1.00 54.20 H new ATOM 0 HB3 LEU A 84 9.231 -28.676 -3.069 1.00 54.20 H new ATOM 0 HG LEU A 84 10.327 -25.963 -3.862 1.00 24.33 H new ATOM 0 HD11 LEU A 84 8.089 -25.127 -3.264 1.00 65.24 H new ATOM 0 HD12 LEU A 84 8.025 -26.272 -4.625 1.00 65.24 H new ATOM 0 HD13 LEU A 84 7.542 -26.799 -2.995 1.00 65.24 H new ATOM 0 HD21 LEU A 84 9.828 -25.348 -1.527 1.00 11.03 H new ATOM 0 HD22 LEU A 84 9.349 -27.029 -1.192 1.00 11.03 H new ATOM 0 HD23 LEU A 84 11.034 -26.653 -1.622 1.00 11.03 H new ATOM 1318 N VAL A 85 12.235 -29.911 -5.347 1.00 20.53 N ATOM 1319 CA VAL A 85 12.450 -31.123 -6.129 1.00 44.44 C ATOM 1320 C VAL A 85 12.863 -32.288 -5.237 1.00 12.31 C ATOM 1321 O VAL A 85 12.586 -33.447 -5.545 1.00 31.03 O ATOM 1322 CB VAL A 85 13.529 -30.909 -7.208 1.00 22.42 C ATOM 1323 CG1 VAL A 85 14.908 -30.818 -6.573 1.00 25.31 C ATOM 1324 CG2 VAL A 85 13.480 -32.027 -8.238 1.00 63.52 C ATOM 0 H VAL A 85 12.735 -29.092 -5.693 1.00 20.53 H new ATOM 0 HA VAL A 85 11.503 -31.360 -6.613 1.00 44.44 H new ATOM 0 HB VAL A 85 13.327 -29.967 -7.718 1.00 22.42 H new ATOM 0 HG11 VAL A 85 15.657 -30.667 -7.350 1.00 25.31 H new ATOM 0 HG12 VAL A 85 14.933 -29.980 -5.877 1.00 25.31 H new ATOM 0 HG13 VAL A 85 15.123 -31.742 -6.036 1.00 25.31 H new ATOM 0 HG21 VAL A 85 14.249 -31.860 -8.993 1.00 63.52 H new ATOM 0 HG22 VAL A 85 13.656 -32.983 -7.746 1.00 63.52 H new ATOM 0 HG23 VAL A 85 12.500 -32.040 -8.715 1.00 63.52 H new ATOM 1334 N ARG A 86 13.526 -31.972 -4.129 1.00 40.44 N ATOM 1335 CA ARG A 86 13.978 -32.992 -3.192 1.00 34.44 C ATOM 1336 C ARG A 86 12.821 -33.486 -2.327 1.00 63.32 C ATOM 1337 O ARG A 86 12.501 -34.675 -2.321 1.00 13.13 O ATOM 1338 CB ARG A 86 15.094 -32.441 -2.303 1.00 14.34 C ATOM 1339 CG ARG A 86 16.455 -32.418 -2.978 1.00 23.44 C ATOM 1340 CD ARG A 86 17.025 -33.820 -3.129 1.00 20.21 C ATOM 1341 NE ARG A 86 17.255 -34.460 -1.836 1.00 42.14 N ATOM 1342 CZ ARG A 86 17.920 -35.600 -1.689 1.00 31.51 C ATOM 1343 NH1 ARG A 86 18.418 -36.223 -2.748 1.00 72.22 N ATOM 1344 NH2 ARG A 86 18.088 -36.120 -0.480 1.00 22.24 N ATOM 0 H ARG A 86 13.762 -31.017 -3.859 1.00 40.44 H new ATOM 0 HA ARG A 86 14.364 -33.833 -3.768 1.00 34.44 H new ATOM 0 HB2 ARG A 86 14.834 -31.429 -1.994 1.00 14.34 H new ATOM 0 HB3 ARG A 86 15.157 -33.045 -1.398 1.00 14.34 H new ATOM 0 HG2 ARG A 86 16.368 -31.952 -3.959 1.00 23.44 H new ATOM 0 HG3 ARG A 86 17.142 -31.806 -2.394 1.00 23.44 H new ATOM 0 HD2 ARG A 86 16.339 -34.429 -3.718 1.00 20.21 H new ATOM 0 HD3 ARG A 86 17.963 -33.772 -3.682 1.00 20.21 H new ATOM 0 HE ARG A 86 16.885 -34.007 -1.001 1.00 42.14 H new ATOM 0 HH11 ARG A 86 18.291 -35.827 -3.679 1.00 72.22 H new ATOM 0 HH12 ARG A 86 18.928 -37.098 -2.631 1.00 72.22 H new ATOM 0 HH21 ARG A 86 17.706 -35.644 0.337 1.00 22.24 H new ATOM 0 HH22 ARG A 86 18.599 -36.996 -0.368 1.00 22.24 H new ATOM 1358 N VAL A 87 12.199 -32.565 -1.598 1.00 31.50 N ATOM 1359 CA VAL A 87 11.078 -32.907 -0.730 1.00 50.42 C ATOM 1360 C VAL A 87 9.944 -33.547 -1.523 1.00 41.22 C ATOM 1361 O VAL A 87 9.128 -34.287 -0.973 1.00 52.30 O ATOM 1362 CB VAL A 87 10.539 -31.665 0.004 1.00 13.14 C ATOM 1363 CG1 VAL A 87 11.643 -31.002 0.814 1.00 53.11 C ATOM 1364 CG2 VAL A 87 9.929 -30.684 -0.985 1.00 43.34 C ATOM 0 H VAL A 87 12.452 -31.577 -1.591 1.00 31.50 H new ATOM 0 HA VAL A 87 11.452 -33.621 0.004 1.00 50.42 H new ATOM 0 HB VAL A 87 9.757 -31.983 0.693 1.00 13.14 H new ATOM 0 HG11 VAL A 87 11.243 -30.126 1.325 1.00 53.11 H new ATOM 0 HG12 VAL A 87 12.028 -31.708 1.550 1.00 53.11 H new ATOM 0 HG13 VAL A 87 12.450 -30.696 0.148 1.00 53.11 H new ATOM 0 HG21 VAL A 87 9.553 -29.813 -0.449 1.00 43.34 H new ATOM 0 HG22 VAL A 87 10.688 -30.370 -1.701 1.00 43.34 H new ATOM 0 HG23 VAL A 87 9.107 -31.166 -1.515 1.00 43.34 H new ATOM 1374 N HIS A 88 9.899 -33.258 -2.820 1.00 4.31 N ATOM 1375 CA HIS A 88 8.865 -33.806 -3.690 1.00 64.42 C ATOM 1376 C HIS A 88 9.238 -35.209 -4.159 1.00 64.43 C ATOM 1377 O HIS A 88 8.395 -35.951 -4.661 1.00 63.44 O ATOM 1378 CB HIS A 88 8.648 -32.893 -4.897 1.00 71.42 C ATOM 1379 CG HIS A 88 7.264 -32.969 -5.464 1.00 74.50 C ATOM 1380 ND1 HIS A 88 6.888 -32.321 -6.622 1.00 33.34 N ATOM 1381 CD2 HIS A 88 6.163 -33.624 -5.027 1.00 34.24 C ATOM 1382 CE1 HIS A 88 5.615 -32.573 -6.871 1.00 11.53 C ATOM 1383 NE2 HIS A 88 5.152 -33.361 -5.918 1.00 34.31 N ATOM 0 H HIS A 88 10.567 -32.648 -3.291 1.00 4.31 H new ATOM 0 HA HIS A 88 7.939 -33.867 -3.119 1.00 64.42 H new ATOM 0 HB2 HIS A 88 8.856 -31.864 -4.606 1.00 71.42 H new ATOM 0 HB3 HIS A 88 9.365 -33.156 -5.675 1.00 71.42 H new ATOM 0 HD2 HIS A 88 6.093 -34.239 -4.142 1.00 34.24 H new ATOM 0 HE1 HIS A 88 5.049 -32.198 -7.711 1.00 11.53 H new ATOM 0 HE2 HIS A 88 4.198 -33.717 -5.854 1.00 34.31 H new ATOM 1391 N GLY A 89 10.508 -35.566 -3.993 1.00 25.14 N ATOM 1392 CA GLY A 89 10.971 -36.879 -4.405 1.00 13.51 C ATOM 1393 C GLY A 89 10.907 -37.070 -5.907 1.00 61.02 C ATOM 1394 O GLY A 89 11.009 -38.193 -6.402 1.00 52.42 O ATOM 0 H GLY A 89 11.225 -34.969 -3.580 1.00 25.14 H new ATOM 0 HA2 GLY A 89 11.997 -37.022 -4.067 1.00 13.51 H new ATOM 0 HA3 GLY A 89 10.366 -37.644 -3.918 1.00 13.51 H new ATOM 1398 N VAL A 90 10.737 -35.971 -6.636 1.00 34.23 N ATOM 1399 CA VAL A 90 10.659 -36.023 -8.091 1.00 32.03 C ATOM 1400 C VAL A 90 11.991 -35.641 -8.726 1.00 53.42 C ATOM 1401 O VAL A 90 12.739 -34.830 -8.181 1.00 50.24 O ATOM 1402 CB VAL A 90 9.559 -35.088 -8.628 1.00 10.15 C ATOM 1403 CG1 VAL A 90 9.899 -33.636 -8.328 1.00 2.02 C ATOM 1404 CG2 VAL A 90 9.362 -35.301 -10.121 1.00 14.52 C ATOM 0 H VAL A 90 10.651 -35.034 -6.242 1.00 34.23 H new ATOM 0 HA VAL A 90 10.414 -37.051 -8.359 1.00 32.03 H new ATOM 0 HB VAL A 90 8.623 -35.328 -8.123 1.00 10.15 H new ATOM 0 HG11 VAL A 90 9.111 -32.990 -8.715 1.00 2.02 H new ATOM 0 HG12 VAL A 90 9.985 -33.498 -7.250 1.00 2.02 H new ATOM 0 HG13 VAL A 90 10.845 -33.378 -8.804 1.00 2.02 H new ATOM 0 HG21 VAL A 90 8.581 -34.633 -10.484 1.00 14.52 H new ATOM 0 HG22 VAL A 90 10.294 -35.089 -10.645 1.00 14.52 H new ATOM 0 HG23 VAL A 90 9.069 -36.335 -10.306 1.00 14.52 H new ATOM 1414 N GLU A 91 12.279 -36.230 -9.882 1.00 45.24 N ATOM 1415 CA GLU A 91 13.522 -35.950 -10.592 1.00 23.30 C ATOM 1416 C GLU A 91 13.587 -34.487 -11.020 1.00 3.13 C ATOM 1417 O GLU A 91 12.568 -33.814 -11.178 1.00 23.40 O ATOM 1418 CB GLU A 91 13.651 -36.857 -11.817 1.00 71.55 C ATOM 1419 CG GLU A 91 12.404 -36.889 -12.685 1.00 33.33 C ATOM 1420 CD GLU A 91 11.585 -38.150 -12.484 1.00 3.14 C ATOM 1421 OE1 GLU A 91 11.598 -38.693 -11.360 1.00 23.44 O ATOM 1422 OE2 GLU A 91 10.931 -38.593 -13.451 1.00 45.33 O ATOM 0 H GLU A 91 11.670 -36.903 -10.347 1.00 45.24 H new ATOM 0 HA GLU A 91 14.351 -36.149 -9.913 1.00 23.30 H new ATOM 0 HB2 GLU A 91 14.495 -36.521 -12.420 1.00 71.55 H new ATOM 0 HB3 GLU A 91 13.879 -37.870 -11.486 1.00 71.55 H new ATOM 0 HG2 GLU A 91 11.787 -36.020 -12.460 1.00 33.33 H new ATOM 0 HG3 GLU A 91 12.693 -36.811 -13.733 1.00 33.33 H new ATOM 1429 N PRO A 92 14.815 -33.981 -11.211 1.00 54.11 N ATOM 1430 CA PRO A 92 15.043 -32.593 -11.623 1.00 1.42 C ATOM 1431 C PRO A 92 14.606 -32.335 -13.061 1.00 20.12 C ATOM 1432 O PRO A 92 14.751 -33.197 -13.928 1.00 31.34 O ATOM 1433 CB PRO A 92 16.559 -32.427 -11.487 1.00 32.22 C ATOM 1434 CG PRO A 92 17.105 -33.805 -11.634 1.00 70.41 C ATOM 1435 CD PRO A 92 16.074 -34.725 -11.041 1.00 32.12 C ATOM 0 HA PRO A 92 14.467 -31.890 -11.021 1.00 1.42 H new ATOM 0 HB2 PRO A 92 16.955 -31.760 -12.253 1.00 32.22 H new ATOM 0 HB3 PRO A 92 16.825 -31.996 -10.522 1.00 32.22 H new ATOM 0 HG2 PRO A 92 17.284 -34.044 -12.682 1.00 70.41 H new ATOM 0 HG3 PRO A 92 18.059 -33.904 -11.117 1.00 70.41 H new ATOM 0 HD2 PRO A 92 16.047 -35.684 -11.558 1.00 32.12 H new ATOM 0 HD3 PRO A 92 16.279 -34.934 -9.991 1.00 32.12 H new ATOM 1443 N ASP A 93 14.071 -31.144 -13.307 1.00 64.23 N ATOM 1444 CA ASP A 93 13.615 -30.773 -14.641 1.00 55.44 C ATOM 1445 C ASP A 93 13.443 -29.261 -14.756 1.00 21.13 C ATOM 1446 O ASP A 93 12.600 -28.669 -14.081 1.00 63.21 O ATOM 1447 CB ASP A 93 12.295 -31.474 -14.965 1.00 55.05 C ATOM 1448 CG ASP A 93 12.150 -31.782 -16.443 1.00 21.22 C ATOM 1449 OD1 ASP A 93 12.891 -31.182 -17.250 1.00 24.54 O ATOM 1450 OD2 ASP A 93 11.297 -32.624 -16.792 1.00 54.21 O ATOM 0 H ASP A 93 13.943 -30.420 -12.600 1.00 64.23 H new ATOM 0 HA ASP A 93 14.372 -31.090 -15.358 1.00 55.44 H new ATOM 0 HB2 ASP A 93 12.230 -32.401 -14.396 1.00 55.05 H new ATOM 0 HB3 ASP A 93 11.465 -30.845 -14.645 1.00 55.05 H new ATOM 1455 N ASP A 94 14.248 -28.643 -15.613 1.00 2.35 N ATOM 1456 CA ASP A 94 14.186 -27.200 -15.815 1.00 51.13 C ATOM 1457 C ASP A 94 13.553 -26.867 -17.163 1.00 31.42 C ATOM 1458 O ASP A 94 12.986 -25.791 -17.345 1.00 4.34 O ATOM 1459 CB ASP A 94 15.586 -26.591 -15.731 1.00 43.34 C ATOM 1460 CG ASP A 94 15.589 -25.103 -16.023 1.00 71.02 C ATOM 1461 OD1 ASP A 94 15.286 -24.317 -15.101 1.00 64.41 O ATOM 1462 OD2 ASP A 94 15.893 -24.724 -17.174 1.00 75.31 O ATOM 0 H ASP A 94 14.951 -29.118 -16.179 1.00 2.35 H new ATOM 0 HA ASP A 94 13.565 -26.774 -15.027 1.00 51.13 H new ATOM 0 HB2 ASP A 94 15.995 -26.764 -14.735 1.00 43.34 H new ATOM 0 HB3 ASP A 94 16.243 -27.098 -16.438 1.00 43.34 H new ATOM 1467 N ASN A 95 13.655 -27.800 -18.105 1.00 13.52 N ATOM 1468 CA ASN A 95 13.094 -27.605 -19.437 1.00 15.43 C ATOM 1469 C ASN A 95 11.606 -27.275 -19.357 1.00 71.24 C ATOM 1470 O ASN A 95 11.057 -26.614 -20.239 1.00 53.41 O ATOM 1471 CB ASN A 95 13.305 -28.857 -20.290 1.00 43.44 C ATOM 1472 CG ASN A 95 14.747 -29.017 -20.734 1.00 14.20 C ATOM 1473 OD1 ASN A 95 15.647 -29.180 -19.910 1.00 52.22 O ATOM 1474 ND2 ASN A 95 14.971 -28.971 -22.042 1.00 5.21 N ATOM 0 H ASN A 95 14.121 -28.698 -17.970 1.00 13.52 H new ATOM 0 HA ASN A 95 13.610 -26.765 -19.903 1.00 15.43 H new ATOM 0 HB2 ASN A 95 13.003 -29.736 -19.721 1.00 43.44 H new ATOM 0 HB3 ASN A 95 12.660 -28.808 -21.168 1.00 43.44 H new ATOM 0 HD21 ASN A 95 15.920 -29.073 -22.401 1.00 5.21 H new ATOM 0 HD22 ASN A 95 14.194 -28.834 -22.688 1.00 5.21 H new ATOM 1481 N THR A 96 10.958 -27.741 -18.294 1.00 40.00 N ATOM 1482 CA THR A 96 9.535 -27.497 -18.099 1.00 35.01 C ATOM 1483 C THR A 96 9.264 -26.027 -17.801 1.00 44.45 C ATOM 1484 O THR A 96 8.165 -25.527 -18.039 1.00 65.33 O ATOM 1485 CB THR A 96 8.970 -28.354 -16.950 1.00 0.41 C ATOM 1486 OG1 THR A 96 9.367 -29.719 -17.116 1.00 60.32 O ATOM 1487 CG2 THR A 96 7.452 -28.264 -16.903 1.00 2.51 C ATOM 0 H THR A 96 11.397 -28.290 -17.555 1.00 40.00 H new ATOM 0 HA THR A 96 9.037 -27.774 -19.028 1.00 35.01 H new ATOM 0 HB THR A 96 9.370 -27.972 -16.011 1.00 0.41 H new ATOM 0 HG1 THR A 96 9.005 -30.257 -16.381 1.00 60.32 H new ATOM 0 HG21 THR A 96 7.076 -28.877 -16.084 1.00 2.51 H new ATOM 0 HG22 THR A 96 7.154 -27.227 -16.747 1.00 2.51 H new ATOM 0 HG23 THR A 96 7.037 -28.623 -17.845 1.00 2.51 H new ATOM 1495 N ASN A 97 10.275 -25.338 -17.281 1.00 14.35 N ATOM 1496 CA ASN A 97 10.145 -23.923 -16.951 1.00 4.13 C ATOM 1497 C ASN A 97 9.655 -23.126 -18.156 1.00 32.13 C ATOM 1498 O ASN A 97 9.008 -22.091 -18.007 1.00 14.54 O ATOM 1499 CB ASN A 97 11.486 -23.366 -16.468 1.00 42.22 C ATOM 1500 CG ASN A 97 11.318 -22.231 -15.477 1.00 15.32 C ATOM 1501 OD1 ASN A 97 10.301 -21.537 -15.478 1.00 15.04 O ATOM 1502 ND2 ASN A 97 12.317 -22.036 -14.625 1.00 22.45 N ATOM 0 H ASN A 97 11.192 -25.736 -17.079 1.00 14.35 H new ATOM 0 HA ASN A 97 9.410 -23.828 -16.152 1.00 4.13 H new ATOM 0 HB2 ASN A 97 12.063 -24.166 -16.005 1.00 42.22 H new ATOM 0 HB3 ASN A 97 12.060 -23.014 -17.325 1.00 42.22 H new ATOM 0 HD21 ASN A 97 12.260 -21.287 -13.935 1.00 22.45 H new ATOM 0 HD22 ASN A 97 13.141 -22.636 -14.660 1.00 22.45 H new ATOM 1509 N GLY A 98 9.968 -23.618 -19.351 1.00 11.41 N ATOM 1510 CA GLY A 98 9.551 -22.940 -20.564 1.00 51.53 C ATOM 1511 C GLY A 98 10.181 -21.569 -20.708 1.00 44.42 C ATOM 1512 O GLY A 98 9.497 -20.591 -21.011 1.00 72.10 O ATOM 0 H GLY A 98 10.503 -24.474 -19.500 1.00 11.41 H new ATOM 0 HA2 GLY A 98 9.816 -23.551 -21.427 1.00 51.53 H new ATOM 0 HA3 GLY A 98 8.466 -22.840 -20.566 1.00 51.53 H new ATOM 1516 N PHE A 99 11.490 -21.495 -20.489 1.00 40.11 N ATOM 1517 CA PHE A 99 12.213 -20.233 -20.593 1.00 53.44 C ATOM 1518 C PHE A 99 12.130 -19.674 -22.011 1.00 60.10 C ATOM 1519 O PHE A 99 12.283 -18.472 -22.227 1.00 52.32 O ATOM 1520 CB PHE A 99 13.677 -20.424 -20.193 1.00 61.43 C ATOM 1521 CG PHE A 99 14.301 -19.196 -19.595 1.00 51.11 C ATOM 1522 CD1 PHE A 99 13.727 -18.577 -18.496 1.00 41.55 C ATOM 1523 CD2 PHE A 99 15.461 -18.661 -20.131 1.00 41.10 C ATOM 1524 CE1 PHE A 99 14.299 -17.446 -17.945 1.00 13.43 C ATOM 1525 CE2 PHE A 99 16.038 -17.530 -19.583 1.00 74.42 C ATOM 1526 CZ PHE A 99 15.456 -16.923 -18.488 1.00 10.41 C ATOM 0 H PHE A 99 12.072 -22.295 -20.238 1.00 40.11 H new ATOM 0 HA PHE A 99 11.748 -19.520 -19.912 1.00 53.44 H new ATOM 0 HB2 PHE A 99 13.745 -21.242 -19.476 1.00 61.43 H new ATOM 0 HB3 PHE A 99 14.249 -20.721 -21.072 1.00 61.43 H new ATOM 0 HD1 PHE A 99 12.823 -18.983 -18.066 1.00 41.55 H new ATOM 0 HD2 PHE A 99 15.920 -19.133 -20.987 1.00 41.10 H new ATOM 0 HE1 PHE A 99 13.841 -16.971 -17.090 1.00 13.43 H new ATOM 0 HE2 PHE A 99 16.942 -17.122 -20.011 1.00 74.42 H new ATOM 0 HZ PHE A 99 15.905 -16.040 -18.057 1.00 10.41 H new ATOM 1536 N LYS A 100 11.888 -20.556 -22.975 1.00 33.23 N ATOM 1537 CA LYS A 100 11.784 -20.154 -24.372 1.00 54.13 C ATOM 1538 C LYS A 100 10.795 -19.004 -24.535 1.00 50.13 C ATOM 1539 O LYS A 100 11.132 -17.956 -25.084 1.00 2.41 O ATOM 1540 CB LYS A 100 11.348 -21.341 -25.235 1.00 4.31 C ATOM 1541 CG LYS A 100 11.798 -21.238 -26.682 1.00 72.02 C ATOM 1542 CD LYS A 100 11.522 -22.523 -27.444 1.00 65.42 C ATOM 1543 CE LYS A 100 10.075 -22.599 -27.905 1.00 51.01 C ATOM 1544 NZ LYS A 100 9.884 -21.965 -29.239 1.00 13.32 N ATOM 0 H LYS A 100 11.760 -21.555 -22.814 1.00 33.23 H new ATOM 0 HA LYS A 100 12.767 -19.815 -24.700 1.00 54.13 H new ATOM 0 HB2 LYS A 100 11.747 -22.259 -24.804 1.00 4.31 H new ATOM 0 HB3 LYS A 100 10.261 -21.421 -25.206 1.00 4.31 H new ATOM 0 HG2 LYS A 100 11.282 -20.409 -27.166 1.00 72.02 H new ATOM 0 HG3 LYS A 100 12.864 -21.015 -26.717 1.00 72.02 H new ATOM 0 HD2 LYS A 100 12.184 -22.584 -28.308 1.00 65.42 H new ATOM 0 HD3 LYS A 100 11.748 -23.379 -26.809 1.00 65.42 H new ATOM 0 HE2 LYS A 100 9.763 -23.642 -27.951 1.00 51.01 H new ATOM 0 HE3 LYS A 100 9.434 -22.106 -27.174 1.00 51.01 H new ATOM 0 HZ1 LYS A 100 8.885 -22.037 -29.518 1.00 13.32 H new ATOM 0 HZ2 LYS A 100 10.158 -20.963 -29.190 1.00 13.32 H new ATOM 0 HZ3 LYS A 100 10.476 -22.451 -29.942 1.00 13.32 H new ATOM 1558 N GLY A 101 9.572 -19.207 -24.053 1.00 64.24 N ATOM 1559 CA GLY A 101 8.554 -18.178 -24.155 1.00 5.14 C ATOM 1560 C GLY A 101 8.672 -17.137 -23.059 1.00 51.22 C ATOM 1561 O GLY A 101 8.449 -15.948 -23.295 1.00 65.42 O ATOM 0 H GLY A 101 9.269 -20.066 -23.594 1.00 64.24 H new ATOM 0 HA2 GLY A 101 8.631 -17.689 -25.126 1.00 5.14 H new ATOM 0 HA3 GLY A 101 7.568 -18.640 -24.108 1.00 5.14 H new ATOM 1565 N LEU A 102 9.021 -17.582 -21.857 1.00 53.11 N ATOM 1566 CA LEU A 102 9.166 -16.680 -20.720 1.00 33.13 C ATOM 1567 C LEU A 102 10.179 -15.581 -21.022 1.00 51.32 C ATOM 1568 O LEU A 102 9.936 -14.406 -20.746 1.00 72.35 O ATOM 1569 CB LEU A 102 9.598 -17.460 -19.477 1.00 64.21 C ATOM 1570 CG LEU A 102 9.501 -16.712 -18.147 1.00 50.01 C ATOM 1571 CD1 LEU A 102 10.627 -15.698 -18.021 1.00 43.14 C ATOM 1572 CD2 LEU A 102 8.148 -16.028 -18.018 1.00 51.41 C ATOM 0 H LEU A 102 9.209 -18.562 -21.645 1.00 53.11 H new ATOM 0 HA LEU A 102 8.199 -16.215 -20.532 1.00 33.13 H new ATOM 0 HB2 LEU A 102 8.989 -18.362 -19.409 1.00 64.21 H new ATOM 0 HB3 LEU A 102 10.630 -17.782 -19.615 1.00 64.21 H new ATOM 0 HG LEU A 102 9.599 -17.435 -17.337 1.00 50.01 H new ATOM 0 HD11 LEU A 102 10.541 -15.176 -17.068 1.00 43.14 H new ATOM 0 HD12 LEU A 102 11.587 -16.212 -18.068 1.00 43.14 H new ATOM 0 HD13 LEU A 102 10.561 -14.978 -18.837 1.00 43.14 H new ATOM 0 HD21 LEU A 102 8.096 -15.500 -17.066 1.00 51.41 H new ATOM 0 HD22 LEU A 102 8.021 -15.317 -18.834 1.00 51.41 H new ATOM 0 HD23 LEU A 102 7.356 -16.776 -18.062 1.00 51.41 H new ATOM 1584 N MET A 103 11.314 -15.970 -21.593 1.00 23.25 N ATOM 1585 CA MET A 103 12.363 -15.017 -21.936 1.00 10.42 C ATOM 1586 C MET A 103 11.810 -13.890 -22.803 1.00 5.32 C ATOM 1587 O MET A 103 12.222 -12.736 -22.676 1.00 70.23 O ATOM 1588 CB MET A 103 13.506 -15.724 -22.666 1.00 61.11 C ATOM 1589 CG MET A 103 14.631 -14.791 -23.083 1.00 11.51 C ATOM 1590 SD MET A 103 15.661 -14.281 -21.694 1.00 2.33 S ATOM 1591 CE MET A 103 15.244 -12.542 -21.583 1.00 33.54 C ATOM 0 H MET A 103 11.531 -16.939 -21.828 1.00 23.25 H new ATOM 0 HA MET A 103 12.745 -14.586 -21.010 1.00 10.42 H new ATOM 0 HB2 MET A 103 13.912 -16.503 -22.020 1.00 61.11 H new ATOM 0 HB3 MET A 103 13.109 -16.219 -23.552 1.00 61.11 H new ATOM 0 HG2 MET A 103 15.252 -15.288 -23.828 1.00 11.51 H new ATOM 0 HG3 MET A 103 14.207 -13.907 -23.560 1.00 11.51 H new ATOM 0 HE1 MET A 103 16.158 -11.952 -21.512 1.00 33.54 H new ATOM 0 HE2 MET A 103 14.688 -12.244 -22.472 1.00 33.54 H new ATOM 0 HE3 MET A 103 14.632 -12.370 -20.698 1.00 33.54 H new ATOM 1601 N LYS A 104 10.876 -14.231 -23.684 1.00 3.21 N ATOM 1602 CA LYS A 104 10.266 -13.248 -24.572 1.00 20.33 C ATOM 1603 C LYS A 104 9.202 -12.439 -23.838 1.00 15.10 C ATOM 1604 O LYS A 104 8.912 -11.300 -24.205 1.00 11.02 O ATOM 1605 CB LYS A 104 9.646 -13.943 -25.786 1.00 64.32 C ATOM 1606 CG LYS A 104 10.596 -14.069 -26.965 1.00 53.32 C ATOM 1607 CD LYS A 104 11.768 -14.980 -26.643 1.00 1.13 C ATOM 1608 CE LYS A 104 12.495 -15.421 -27.904 1.00 51.20 C ATOM 1609 NZ LYS A 104 13.386 -14.351 -28.433 1.00 74.35 N ATOM 0 H LYS A 104 10.525 -15.181 -23.802 1.00 3.21 H new ATOM 0 HA LYS A 104 11.047 -12.567 -24.910 1.00 20.33 H new ATOM 0 HB2 LYS A 104 9.310 -14.938 -25.493 1.00 64.32 H new ATOM 0 HB3 LYS A 104 8.762 -13.388 -26.100 1.00 64.32 H new ATOM 0 HG2 LYS A 104 10.057 -14.460 -27.828 1.00 53.32 H new ATOM 0 HG3 LYS A 104 10.967 -13.082 -27.242 1.00 53.32 H new ATOM 0 HD2 LYS A 104 12.463 -14.460 -25.984 1.00 1.13 H new ATOM 0 HD3 LYS A 104 11.411 -15.857 -26.102 1.00 1.13 H new ATOM 0 HE2 LYS A 104 13.085 -16.312 -27.690 1.00 51.20 H new ATOM 0 HE3 LYS A 104 11.766 -15.696 -28.666 1.00 51.20 H new ATOM 0 HZ1 LYS A 104 13.863 -14.690 -29.292 1.00 74.35 H new ATOM 0 HZ2 LYS A 104 12.820 -13.509 -28.661 1.00 74.35 H new ATOM 0 HZ3 LYS A 104 14.098 -14.106 -27.716 1.00 74.35 H new ATOM 1623 N ARG A 105 8.624 -13.034 -22.800 1.00 14.24 N ATOM 1624 CA ARG A 105 7.592 -12.368 -22.014 1.00 55.55 C ATOM 1625 C ARG A 105 8.190 -11.248 -21.168 1.00 23.23 C ATOM 1626 O ARG A 105 7.543 -10.232 -20.914 1.00 12.21 O ATOM 1627 CB ARG A 105 6.875 -13.376 -21.114 1.00 4.42 C ATOM 1628 CG ARG A 105 5.771 -12.761 -20.269 1.00 41.04 C ATOM 1629 CD ARG A 105 4.394 -13.144 -20.789 1.00 1.13 C ATOM 1630 NE ARG A 105 3.422 -12.069 -20.607 1.00 22.24 N ATOM 1631 CZ ARG A 105 2.292 -11.975 -21.299 1.00 22.13 C ATOM 1632 NH1 ARG A 105 1.994 -12.887 -22.214 1.00 15.03 N ATOM 1633 NH2 ARG A 105 1.458 -10.968 -21.076 1.00 1.44 N ATOM 0 H ARG A 105 8.853 -13.976 -22.483 1.00 14.24 H new ATOM 0 HA ARG A 105 6.870 -11.932 -22.705 1.00 55.55 H new ATOM 0 HB2 ARG A 105 6.450 -14.165 -21.734 1.00 4.42 H new ATOM 0 HB3 ARG A 105 7.605 -13.846 -20.456 1.00 4.42 H new ATOM 0 HG2 ARG A 105 5.876 -13.091 -19.235 1.00 41.04 H new ATOM 0 HG3 ARG A 105 5.873 -11.676 -20.269 1.00 41.04 H new ATOM 0 HD2 ARG A 105 4.463 -13.395 -21.847 1.00 1.13 H new ATOM 0 HD3 ARG A 105 4.047 -14.038 -20.271 1.00 1.13 H new ATOM 0 HE ARG A 105 3.622 -11.351 -19.910 1.00 22.24 H new ATOM 0 HH11 ARG A 105 2.633 -13.663 -22.388 1.00 15.03 H new ATOM 0 HH12 ARG A 105 1.126 -12.813 -22.744 1.00 15.03 H new ATOM 0 HH21 ARG A 105 1.684 -10.265 -20.373 1.00 1.44 H new ATOM 0 HH22 ARG A 105 0.591 -10.897 -21.608 1.00 1.44 H new ATOM 1647 N THR A 106 9.431 -11.442 -20.732 1.00 3.11 N ATOM 1648 CA THR A 106 10.117 -10.451 -19.913 1.00 1.34 C ATOM 1649 C THR A 106 10.597 -9.276 -20.757 1.00 52.12 C ATOM 1650 O THR A 106 10.304 -8.119 -20.454 1.00 4.30 O ATOM 1651 CB THR A 106 11.323 -11.066 -19.178 1.00 31.32 C ATOM 1652 OG1 THR A 106 12.218 -11.665 -20.122 1.00 3.44 O ATOM 1653 CG2 THR A 106 10.867 -12.111 -18.171 1.00 20.23 C ATOM 0 H THR A 106 9.981 -12.277 -20.933 1.00 3.11 H new ATOM 0 HA THR A 106 9.395 -10.096 -19.178 1.00 1.34 H new ATOM 0 HB THR A 106 11.840 -10.269 -18.643 1.00 31.32 H new ATOM 0 HG1 THR A 106 11.705 -12.026 -20.875 1.00 3.44 H new ATOM 0 HG21 THR A 106 11.736 -12.531 -17.664 1.00 20.23 H new ATOM 0 HG22 THR A 106 10.209 -11.646 -17.437 1.00 20.23 H new ATOM 0 HG23 THR A 106 10.330 -12.905 -18.689 1.00 20.23 H new ATOM 1661 N THR A 107 11.335 -9.580 -21.820 1.00 43.32 N ATOM 1662 CA THR A 107 11.856 -8.549 -22.709 1.00 1.30 C ATOM 1663 C THR A 107 10.728 -7.707 -23.296 1.00 23.45 C ATOM 1664 O THR A 107 10.883 -6.505 -23.510 1.00 64.03 O ATOM 1665 CB THR A 107 12.676 -9.161 -23.860 1.00 24.11 C ATOM 1666 OG1 THR A 107 13.226 -8.121 -24.677 1.00 75.53 O ATOM 1667 CG2 THR A 107 11.813 -10.080 -24.711 1.00 53.41 C ATOM 0 H THR A 107 11.585 -10.532 -22.086 1.00 43.32 H new ATOM 0 HA THR A 107 12.506 -7.913 -22.108 1.00 1.30 H new ATOM 0 HB THR A 107 13.486 -9.748 -23.427 1.00 24.11 H new ATOM 0 HG1 THR A 107 13.747 -8.518 -25.406 1.00 75.53 H new ATOM 0 HG21 THR A 107 12.414 -10.500 -25.517 1.00 53.41 H new ATOM 0 HG22 THR A 107 11.421 -10.887 -24.092 1.00 53.41 H new ATOM 0 HG23 THR A 107 10.984 -9.512 -25.134 1.00 53.41 H new ATOM 1675 N LYS A 108 9.592 -8.346 -23.553 1.00 30.35 N ATOM 1676 CA LYS A 108 8.436 -7.657 -24.113 1.00 12.23 C ATOM 1677 C LYS A 108 8.098 -6.412 -23.299 1.00 51.30 C ATOM 1678 O LYS A 108 7.747 -5.370 -23.855 1.00 70.34 O ATOM 1679 CB LYS A 108 7.228 -8.595 -24.155 1.00 35.14 C ATOM 1680 CG LYS A 108 5.932 -7.902 -24.541 1.00 23.04 C ATOM 1681 CD LYS A 108 5.994 -7.352 -25.956 1.00 24.22 C ATOM 1682 CE LYS A 108 4.604 -7.086 -26.512 1.00 10.43 C ATOM 1683 NZ LYS A 108 3.930 -5.961 -25.805 1.00 63.10 N ATOM 0 H LYS A 108 9.447 -9.341 -23.382 1.00 30.35 H new ATOM 0 HA LYS A 108 8.685 -7.349 -25.129 1.00 12.23 H new ATOM 0 HB2 LYS A 108 7.426 -9.398 -24.865 1.00 35.14 H new ATOM 0 HB3 LYS A 108 7.105 -9.059 -23.176 1.00 35.14 H new ATOM 0 HG2 LYS A 108 5.104 -8.606 -24.459 1.00 23.04 H new ATOM 0 HG3 LYS A 108 5.731 -7.090 -23.842 1.00 23.04 H new ATOM 0 HD2 LYS A 108 6.573 -6.428 -25.963 1.00 24.22 H new ATOM 0 HD3 LYS A 108 6.515 -8.060 -26.600 1.00 24.22 H new ATOM 0 HE2 LYS A 108 4.676 -6.856 -27.575 1.00 10.43 H new ATOM 0 HE3 LYS A 108 3.998 -7.987 -26.421 1.00 10.43 H new ATOM 0 HZ1 LYS A 108 3.003 -6.277 -25.455 1.00 63.10 H new ATOM 0 HZ2 LYS A 108 4.517 -5.654 -25.003 1.00 63.10 H new ATOM 0 HZ3 LYS A 108 3.799 -5.166 -26.463 1.00 63.10 H new ATOM 1697 N LEU A 109 8.207 -6.525 -21.980 1.00 20.00 N ATOM 1698 CA LEU A 109 7.915 -5.407 -21.089 1.00 75.42 C ATOM 1699 C LEU A 109 9.060 -4.400 -21.085 1.00 30.20 C ATOM 1700 O LEU A 109 8.837 -3.190 -21.128 1.00 14.54 O ATOM 1701 CB LEU A 109 7.661 -5.915 -19.669 1.00 2.35 C ATOM 1702 CG LEU A 109 6.206 -6.222 -19.315 1.00 55.11 C ATOM 1703 CD1 LEU A 109 5.581 -7.128 -20.365 1.00 22.11 C ATOM 1704 CD2 LEU A 109 6.114 -6.859 -17.936 1.00 45.30 C ATOM 0 H LEU A 109 8.495 -7.379 -21.503 1.00 20.00 H new ATOM 0 HA LEU A 109 7.018 -4.907 -21.455 1.00 75.42 H new ATOM 0 HB2 LEU A 109 8.249 -6.820 -19.518 1.00 2.35 H new ATOM 0 HB3 LEU A 109 8.035 -5.171 -18.966 1.00 2.35 H new ATOM 0 HG LEU A 109 5.652 -5.284 -19.297 1.00 55.11 H new ATOM 0 HD11 LEU A 109 4.545 -7.336 -20.096 1.00 22.11 H new ATOM 0 HD12 LEU A 109 5.612 -6.634 -21.336 1.00 22.11 H new ATOM 0 HD13 LEU A 109 6.137 -8.064 -20.416 1.00 22.11 H new ATOM 0 HD21 LEU A 109 5.071 -7.070 -17.702 1.00 45.30 H new ATOM 0 HD22 LEU A 109 6.684 -7.788 -17.926 1.00 45.30 H new ATOM 0 HD23 LEU A 109 6.522 -6.175 -17.191 1.00 45.30 H new ATOM 1716 N LEU A 110 10.287 -4.908 -21.036 1.00 13.55 N ATOM 1717 CA LEU A 110 11.469 -4.052 -21.028 1.00 74.43 C ATOM 1718 C LEU A 110 11.523 -3.188 -22.284 1.00 63.52 C ATOM 1719 O LEU A 110 12.181 -2.148 -22.307 1.00 61.03 O ATOM 1720 CB LEU A 110 12.736 -4.902 -20.924 1.00 64.04 C ATOM 1721 CG LEU A 110 12.913 -5.687 -19.624 1.00 65.13 C ATOM 1722 CD1 LEU A 110 14.235 -6.441 -19.631 1.00 55.54 C ATOM 1723 CD2 LEU A 110 12.835 -4.755 -18.424 1.00 23.33 C ATOM 0 H LEU A 110 10.489 -5.907 -21.001 1.00 13.55 H new ATOM 0 HA LEU A 110 11.407 -3.395 -20.160 1.00 74.43 H new ATOM 0 HB2 LEU A 110 12.745 -5.607 -21.755 1.00 64.04 H new ATOM 0 HB3 LEU A 110 13.599 -4.249 -21.051 1.00 64.04 H new ATOM 0 HG LEU A 110 12.104 -6.414 -19.548 1.00 65.13 H new ATOM 0 HD11 LEU A 110 14.344 -6.994 -18.698 1.00 55.54 H new ATOM 0 HD12 LEU A 110 14.252 -7.137 -20.469 1.00 55.54 H new ATOM 0 HD13 LEU A 110 15.057 -5.733 -19.731 1.00 55.54 H new ATOM 0 HD21 LEU A 110 12.963 -5.331 -17.507 1.00 23.33 H new ATOM 0 HD22 LEU A 110 13.623 -4.005 -18.494 1.00 23.33 H new ATOM 0 HD23 LEU A 110 11.863 -4.261 -18.410 1.00 23.33 H new ATOM 1735 N LYS A 111 10.826 -3.625 -23.327 1.00 71.44 N ATOM 1736 CA LYS A 111 10.791 -2.891 -24.587 1.00 22.42 C ATOM 1737 C LYS A 111 9.812 -1.724 -24.509 1.00 61.34 C ATOM 1738 O LYS A 111 9.907 -0.769 -25.280 1.00 12.31 O ATOM 1739 CB LYS A 111 10.399 -3.825 -25.734 1.00 51.13 C ATOM 1740 CG LYS A 111 11.516 -4.757 -26.169 1.00 45.02 C ATOM 1741 CD LYS A 111 10.976 -5.967 -26.912 1.00 32.31 C ATOM 1742 CE LYS A 111 10.246 -5.561 -28.183 1.00 64.13 C ATOM 1743 NZ LYS A 111 9.921 -6.738 -29.036 1.00 42.22 N ATOM 0 H LYS A 111 10.277 -4.485 -23.325 1.00 71.44 H new ATOM 0 HA LYS A 111 11.788 -2.493 -24.776 1.00 22.42 H new ATOM 0 HB2 LYS A 111 9.539 -4.421 -25.428 1.00 51.13 H new ATOM 0 HB3 LYS A 111 10.084 -3.225 -26.588 1.00 51.13 H new ATOM 0 HG2 LYS A 111 12.213 -4.217 -26.810 1.00 45.02 H new ATOM 0 HG3 LYS A 111 12.077 -5.087 -25.295 1.00 45.02 H new ATOM 0 HD2 LYS A 111 11.798 -6.638 -27.162 1.00 32.31 H new ATOM 0 HD3 LYS A 111 10.298 -6.521 -26.263 1.00 32.31 H new ATOM 0 HE2 LYS A 111 9.327 -5.037 -27.922 1.00 64.13 H new ATOM 0 HE3 LYS A 111 10.862 -4.862 -28.748 1.00 64.13 H new ATOM 0 HZ1 LYS A 111 9.424 -6.420 -29.892 1.00 42.22 H new ATOM 0 HZ2 LYS A 111 10.800 -7.224 -29.306 1.00 42.22 H new ATOM 0 HZ3 LYS A 111 9.312 -7.393 -28.506 1.00 42.22 H new ATOM 1757 N LYS A 112 8.872 -1.807 -23.574 1.00 23.51 N ATOM 1758 CA LYS A 112 7.877 -0.757 -23.393 1.00 71.52 C ATOM 1759 C LYS A 112 8.443 0.392 -22.565 1.00 53.04 C ATOM 1760 O LYS A 112 8.058 1.548 -22.745 1.00 22.30 O ATOM 1761 CB LYS A 112 6.627 -1.322 -22.714 1.00 23.31 C ATOM 1762 CG LYS A 112 6.261 -2.720 -23.180 1.00 73.55 C ATOM 1763 CD LYS A 112 6.083 -2.776 -24.689 1.00 30.45 C ATOM 1764 CE LYS A 112 4.967 -1.853 -25.153 1.00 2.22 C ATOM 1765 NZ LYS A 112 4.513 -2.182 -26.532 1.00 51.23 N ATOM 0 H LYS A 112 8.778 -2.592 -22.929 1.00 23.51 H new ATOM 0 HA LYS A 112 7.607 -0.374 -24.377 1.00 71.52 H new ATOM 0 HB2 LYS A 112 6.785 -1.337 -21.636 1.00 23.31 H new ATOM 0 HB3 LYS A 112 5.787 -0.653 -22.904 1.00 23.31 H new ATOM 0 HG2 LYS A 112 7.040 -3.421 -22.878 1.00 73.55 H new ATOM 0 HG3 LYS A 112 5.340 -3.038 -22.692 1.00 73.55 H new ATOM 0 HD2 LYS A 112 7.016 -2.495 -25.177 1.00 30.45 H new ATOM 0 HD3 LYS A 112 5.860 -3.799 -24.992 1.00 30.45 H new ATOM 0 HE2 LYS A 112 4.124 -1.928 -24.466 1.00 2.22 H new ATOM 0 HE3 LYS A 112 5.313 -0.820 -25.121 1.00 2.22 H new ATOM 0 HZ1 LYS A 112 3.752 -1.531 -26.812 1.00 51.23 H new ATOM 0 HZ2 LYS A 112 5.311 -2.086 -27.192 1.00 51.23 H new ATOM 0 HZ3 LYS A 112 4.159 -3.159 -26.557 1.00 51.23 H new ATOM 1779 N VAL A 113 9.359 0.068 -21.659 1.00 23.50 N ATOM 1780 CA VAL A 113 9.980 1.073 -20.805 1.00 41.44 C ATOM 1781 C VAL A 113 11.159 1.738 -21.507 1.00 62.32 C ATOM 1782 O VAL A 113 11.396 2.935 -21.348 1.00 52.42 O ATOM 1783 CB VAL A 113 10.465 0.461 -19.478 1.00 44.11 C ATOM 1784 CG1 VAL A 113 9.292 -0.096 -18.686 1.00 63.34 C ATOM 1785 CG2 VAL A 113 11.505 -0.619 -19.739 1.00 13.25 C ATOM 0 H VAL A 113 9.688 -0.884 -21.497 1.00 23.50 H new ATOM 0 HA VAL A 113 9.217 1.822 -20.593 1.00 41.44 H new ATOM 0 HB VAL A 113 10.932 1.247 -18.884 1.00 44.11 H new ATOM 0 HG11 VAL A 113 9.655 -0.524 -17.752 1.00 63.34 H new ATOM 0 HG12 VAL A 113 8.587 0.706 -18.468 1.00 63.34 H new ATOM 0 HG13 VAL A 113 8.793 -0.869 -19.270 1.00 63.34 H new ATOM 0 HG21 VAL A 113 11.837 -1.041 -18.791 1.00 13.25 H new ATOM 0 HG22 VAL A 113 11.066 -1.406 -20.353 1.00 13.25 H new ATOM 0 HG23 VAL A 113 12.357 -0.185 -20.261 1.00 13.25 H new ATOM 1795 N VAL A 114 11.897 0.952 -22.285 1.00 71.13 N ATOM 1796 CA VAL A 114 13.051 1.464 -23.014 1.00 25.13 C ATOM 1797 C VAL A 114 12.630 2.486 -24.064 1.00 30.33 C ATOM 1798 O VAL A 114 13.464 3.202 -24.618 1.00 21.13 O ATOM 1799 CB VAL A 114 13.830 0.327 -23.703 1.00 14.12 C ATOM 1800 CG1 VAL A 114 13.029 -0.240 -24.865 1.00 70.01 C ATOM 1801 CG2 VAL A 114 15.190 0.821 -24.172 1.00 54.22 C ATOM 0 H VAL A 114 11.716 -0.042 -22.426 1.00 71.13 H new ATOM 0 HA VAL A 114 13.698 1.946 -22.282 1.00 25.13 H new ATOM 0 HB VAL A 114 13.990 -0.472 -22.979 1.00 14.12 H new ATOM 0 HG11 VAL A 114 13.594 -1.042 -25.340 1.00 70.01 H new ATOM 0 HG12 VAL A 114 12.082 -0.633 -24.496 1.00 70.01 H new ATOM 0 HG13 VAL A 114 12.836 0.548 -25.593 1.00 70.01 H new ATOM 0 HG21 VAL A 114 15.726 0.005 -24.656 1.00 54.22 H new ATOM 0 HG22 VAL A 114 15.056 1.638 -24.881 1.00 54.22 H new ATOM 0 HG23 VAL A 114 15.764 1.175 -23.315 1.00 54.22 H new ATOM 1811 N ASP A 115 11.330 2.548 -24.332 1.00 65.23 N ATOM 1812 CA ASP A 115 10.797 3.484 -25.315 1.00 72.43 C ATOM 1813 C ASP A 115 10.795 4.907 -24.766 1.00 22.31 C ATOM 1814 O ASP A 115 11.476 5.788 -25.292 1.00 31.34 O ATOM 1815 CB ASP A 115 9.379 3.078 -25.719 1.00 55.14 C ATOM 1816 CG ASP A 115 8.935 3.734 -27.013 1.00 22.35 C ATOM 1817 OD1 ASP A 115 9.724 4.517 -27.582 1.00 10.33 O ATOM 1818 OD2 ASP A 115 7.800 3.463 -27.456 1.00 31.52 O ATOM 0 H ASP A 115 10.627 1.962 -23.883 1.00 65.23 H new ATOM 0 HA ASP A 115 11.440 3.455 -26.195 1.00 72.43 H new ATOM 0 HB2 ASP A 115 9.332 1.995 -25.829 1.00 55.14 H new ATOM 0 HB3 ASP A 115 8.686 3.348 -24.922 1.00 55.14 H new ATOM 1823 N LYS A 116 10.025 5.125 -23.705 1.00 41.24 N ATOM 1824 CA LYS A 116 9.934 6.441 -23.083 1.00 72.34 C ATOM 1825 C LYS A 116 10.911 6.561 -21.918 1.00 71.42 C ATOM 1826 O LYS A 116 11.707 7.498 -21.856 1.00 61.05 O ATOM 1827 CB LYS A 116 8.507 6.699 -22.595 1.00 33.32 C ATOM 1828 CG LYS A 116 7.526 7.003 -23.714 1.00 62.12 C ATOM 1829 CD LYS A 116 6.980 5.730 -24.338 1.00 34.31 C ATOM 1830 CE LYS A 116 5.612 5.958 -24.963 1.00 34.25 C ATOM 1831 NZ LYS A 116 5.223 4.843 -25.870 1.00 22.21 N ATOM 0 H LYS A 116 9.455 4.407 -23.258 1.00 41.24 H new ATOM 0 HA LYS A 116 10.196 7.188 -23.832 1.00 72.34 H new ATOM 0 HB2 LYS A 116 8.157 5.826 -22.044 1.00 33.32 H new ATOM 0 HB3 LYS A 116 8.517 7.535 -21.895 1.00 33.32 H new ATOM 0 HG2 LYS A 116 6.702 7.601 -23.324 1.00 62.12 H new ATOM 0 HG3 LYS A 116 8.020 7.602 -24.479 1.00 62.12 H new ATOM 0 HD2 LYS A 116 7.673 5.370 -25.098 1.00 34.31 H new ATOM 0 HD3 LYS A 116 6.909 4.952 -23.578 1.00 34.31 H new ATOM 0 HE2 LYS A 116 4.866 6.062 -24.175 1.00 34.25 H new ATOM 0 HE3 LYS A 116 5.619 6.894 -25.521 1.00 34.25 H new ATOM 0 HZ1 LYS A 116 4.569 5.198 -26.596 1.00 22.21 H new ATOM 0 HZ2 LYS A 116 6.072 4.456 -26.329 1.00 22.21 H new ATOM 0 HZ3 LYS A 116 4.756 4.095 -25.319 1.00 22.21 H new ATOM 1845 N HIS A 117 10.846 5.605 -20.996 1.00 72.04 N ATOM 1846 CA HIS A 117 11.727 5.603 -19.834 1.00 33.21 C ATOM 1847 C HIS A 117 13.174 5.353 -20.249 1.00 55.20 C ATOM 1848 O HIS A 117 14.104 5.640 -19.497 1.00 32.43 O ATOM 1849 CB HIS A 117 11.281 4.538 -18.832 1.00 14.05 C ATOM 1850 CG HIS A 117 9.799 4.502 -18.615 1.00 50.33 C ATOM 1851 ND1 HIS A 117 8.998 5.621 -18.705 1.00 2.33 N ATOM 1852 CD2 HIS A 117 8.973 3.473 -18.314 1.00 12.42 C ATOM 1853 CE1 HIS A 117 7.744 5.283 -18.466 1.00 32.43 C ATOM 1854 NE2 HIS A 117 7.701 3.984 -18.226 1.00 42.31 N ATOM 0 H HIS A 117 10.193 4.822 -21.031 1.00 72.04 H new ATOM 0 HA HIS A 117 11.667 6.584 -19.362 1.00 33.21 H new ATOM 0 HB2 HIS A 117 11.612 3.560 -19.182 1.00 14.05 H new ATOM 0 HB3 HIS A 117 11.775 4.719 -17.878 1.00 14.05 H new ATOM 0 HD2 HIS A 117 9.260 2.442 -18.170 1.00 12.42 H new ATOM 0 HE1 HIS A 117 6.898 5.954 -18.467 1.00 32.43 H new ATOM 0 HE2 HIS A 117 6.860 3.448 -18.011 1.00 42.31 H new ATOM 1862 N GLY A 118 13.355 4.816 -21.452 1.00 0.50 N ATOM 1863 CA GLY A 118 14.691 4.537 -21.946 1.00 33.55 C ATOM 1864 C GLY A 118 15.410 3.495 -21.112 1.00 62.20 C ATOM 1865 O GLY A 118 16.623 3.320 -21.237 1.00 33.11 O ATOM 0 H GLY A 118 12.601 4.569 -22.093 1.00 0.50 H new ATOM 0 HA2 GLY A 118 14.629 4.193 -22.978 1.00 33.55 H new ATOM 0 HA3 GLY A 118 15.273 5.459 -21.952 1.00 33.55 H new ATOM 1869 N ILE A 119 14.663 2.803 -20.259 1.00 31.22 N ATOM 1870 CA ILE A 119 15.238 1.774 -19.401 1.00 74.33 C ATOM 1871 C ILE A 119 15.692 0.569 -20.218 1.00 24.33 C ATOM 1872 O ILE A 119 14.884 -0.098 -20.862 1.00 74.13 O ATOM 1873 CB ILE A 119 14.232 1.306 -18.332 1.00 65.54 C ATOM 1874 CG1 ILE A 119 13.870 2.463 -17.400 1.00 51.31 C ATOM 1875 CG2 ILE A 119 14.806 0.140 -17.540 1.00 40.13 C ATOM 1876 CD1 ILE A 119 15.058 3.038 -16.660 1.00 74.12 C ATOM 0 H ILE A 119 13.658 2.936 -20.143 1.00 31.22 H new ATOM 0 HA ILE A 119 16.100 2.220 -18.906 1.00 74.33 H new ATOM 0 HB ILE A 119 13.324 0.969 -18.831 1.00 65.54 H new ATOM 0 HG12 ILE A 119 13.398 3.254 -17.983 1.00 51.31 H new ATOM 0 HG13 ILE A 119 13.133 2.118 -16.675 1.00 51.31 H new ATOM 0 HG21 ILE A 119 14.084 -0.180 -16.789 1.00 40.13 H new ATOM 0 HG22 ILE A 119 15.018 -0.689 -18.215 1.00 40.13 H new ATOM 0 HG23 ILE A 119 15.727 0.453 -17.048 1.00 40.13 H new ATOM 0 HD11 ILE A 119 14.727 3.854 -16.018 1.00 74.12 H new ATOM 0 HD12 ILE A 119 15.518 2.260 -16.050 1.00 74.12 H new ATOM 0 HD13 ILE A 119 15.787 3.414 -17.378 1.00 74.12 H new ATOM 1888 N ALA A 120 16.992 0.294 -20.184 1.00 4.52 N ATOM 1889 CA ALA A 120 17.555 -0.833 -20.917 1.00 53.43 C ATOM 1890 C ALA A 120 17.016 -2.157 -20.386 1.00 44.22 C ATOM 1891 O ALA A 120 17.063 -2.419 -19.184 1.00 35.03 O ATOM 1892 CB ALA A 120 19.074 -0.809 -20.838 1.00 50.43 C ATOM 0 H ALA A 120 17.675 0.837 -19.656 1.00 4.52 H new ATOM 0 HA ALA A 120 17.256 -0.741 -21.961 1.00 53.43 H new ATOM 0 HB1 ALA A 120 19.480 -1.657 -21.390 1.00 50.43 H new ATOM 0 HB2 ALA A 120 19.446 0.119 -21.272 1.00 50.43 H new ATOM 0 HB3 ALA A 120 19.385 -0.872 -19.795 1.00 50.43 H new TER 1898 ALA A 120