USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 800 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 91 GLN :FLIP amide:sc= -1.87 F(o=-2.9,f=-1.5) USER MOD Set 1.2: A 92 GLN : amide:sc= 0.422 K(o=-1.5,f=-3.7!) USER MOD Set 2.1: A 59 CYS SG : rot -37:sc= -4.05! USER MOD Set 2.2: A 64 GLN : amide:sc= 0.0662 K(o=-7.4,f=-17!) USER MOD Set 2.3: A 67 LYS NZ :NH3+ 153:sc= -3.41! (180deg=-5.38!) USER MOD Set 3.1: A 43 ASN : amide:sc= -1.52! X(o=-2.1!,f=-2.2) USER MOD Set 3.2: A 47 ASN : amide:sc= -0.533 K(o=-2.1,f=-4.8!) USER MOD Set 3.3: A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.741 X(o=-0.74,f=-1) USER MOD Single : A 19 HIS : no HE2:sc= -2.01! C(o=-2!,f=-6.6!) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.0382 F(o=-2.4!,f=-0.038) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -160:sc= -0.408 USER MOD Single : A 26 ASN : amide:sc= -3.07! X(o=-3.1!,f=-2.9) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -3.14! C(o=-3.1!,f=-4.3!) USER MOD Single : A 36 ASN : amide:sc= -0.0151 K(o=-0.015,f=-2.2!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.415 USER MOD Single : A 38 GLN :FLIP amide:sc= -1.37 F(o=-6.3!,f=-1.4) USER MOD Single : A 39 CYS SG : rot 180:sc= -6.98! USER MOD Single : A 46 LYS NZ :NH3+ -117:sc= -1.71! (180deg=-3.26!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0352 USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 7:sc= 0.811 USER MOD Single : A 70 LYS NZ :NH3+ 148:sc= 0.877 (180deg=-0.323) USER MOD Single : A 76 GLN :FLIP amide:sc= -0.0193 F(o=-1.2!,f=-0.019) USER MOD Single : A 77 SER OG : rot 180:sc= 0.239 USER MOD Single : A 78 LYS NZ :NH3+ 144:sc= 0.0947 (180deg=0) USER MOD Single : A 83 SER OG : rot -100:sc= 1.23 USER MOD Single : A 88 TYR OH : rot 130:sc= -0.459 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 12 -3.697 8.702 1.127 1.00 9.03 N ATOM 2 CA GLY A 12 -3.339 9.541 2.296 1.00 8.58 C ATOM 3 C GLY A 12 -4.511 9.772 3.227 1.00 7.72 C ATOM 4 O GLY A 12 -4.396 9.578 4.437 1.00 7.84 O ATOM 0 HA2 GLY A 12 -2.530 9.063 2.848 1.00 8.58 H new ATOM 0 HA3 GLY A 12 -2.962 10.502 1.947 1.00 8.58 H new ATOM 10 N ALA A 13 -5.636 10.199 2.668 1.00 7.10 N ATOM 11 CA ALA A 13 -6.835 10.459 3.451 1.00 6.53 C ATOM 12 C ALA A 13 -8.039 10.598 2.534 1.00 5.64 C ATOM 13 O ALA A 13 -7.920 11.109 1.419 1.00 5.46 O ATOM 14 CB ALA A 13 -6.662 11.711 4.298 1.00 6.80 C ATOM 0 H ALA A 13 -5.742 10.373 1.669 1.00 7.10 H new ATOM 0 HA ALA A 13 -7.002 9.616 4.121 1.00 6.53 H new ATOM 0 HB1 ALA A 13 -7.569 11.888 4.876 1.00 6.80 H new ATOM 0 HB2 ALA A 13 -5.820 11.577 4.977 1.00 6.80 H new ATOM 0 HB3 ALA A 13 -6.473 12.566 3.649 1.00 6.80 H new ATOM 20 N MET A 14 -9.191 10.143 3.005 1.00 5.41 N ATOM 21 CA MET A 14 -10.411 10.131 2.204 1.00 4.79 C ATOM 22 C MET A 14 -11.578 9.697 3.085 1.00 3.99 C ATOM 23 O MET A 14 -11.369 9.074 4.127 1.00 4.17 O ATOM 24 CB MET A 14 -10.247 9.142 1.043 1.00 5.31 C ATOM 25 CG MET A 14 -11.275 9.287 -0.070 1.00 5.50 C ATOM 26 SD MET A 14 -11.011 10.765 -1.070 1.00 6.58 S ATOM 27 CE MET A 14 -12.283 10.562 -2.319 1.00 7.20 C ATOM 0 H MET A 14 -9.309 9.773 3.948 1.00 5.41 H new ATOM 0 HA MET A 14 -10.603 11.127 1.804 1.00 4.79 H new ATOM 0 HB2 MET A 14 -9.251 9.266 0.617 1.00 5.31 H new ATOM 0 HB3 MET A 14 -10.301 8.128 1.438 1.00 5.31 H new ATOM 0 HG2 MET A 14 -11.237 8.407 -0.712 1.00 5.50 H new ATOM 0 HG3 MET A 14 -12.274 9.321 0.365 1.00 5.50 H new ATOM 0 HE1 MET A 14 -12.247 11.401 -3.014 1.00 7.20 H new ATOM 0 HE2 MET A 14 -12.114 9.632 -2.863 1.00 7.20 H new ATOM 0 HE3 MET A 14 -13.262 10.529 -1.840 1.00 7.20 H new ATOM 37 N GLU A 15 -12.801 10.024 2.668 1.00 3.65 N ATOM 38 CA GLU A 15 -14.002 9.601 3.389 1.00 3.40 C ATOM 39 C GLU A 15 -14.319 8.138 3.090 1.00 2.63 C ATOM 40 O GLU A 15 -15.342 7.605 3.522 1.00 2.90 O ATOM 41 CB GLU A 15 -15.193 10.478 2.998 1.00 4.21 C ATOM 42 CG GLU A 15 -15.088 11.917 3.480 1.00 5.16 C ATOM 43 CD GLU A 15 -15.134 12.027 4.989 1.00 5.80 C ATOM 44 OE1 GLU A 15 -16.092 11.504 5.596 1.00 6.20 O ATOM 45 OE2 GLU A 15 -14.228 12.650 5.577 1.00 6.21 O ATOM 0 H GLU A 15 -12.987 10.581 1.834 1.00 3.65 H new ATOM 0 HA GLU A 15 -13.815 9.710 4.457 1.00 3.40 H new ATOM 0 HB2 GLU A 15 -15.291 10.476 1.912 1.00 4.21 H new ATOM 0 HB3 GLU A 15 -16.104 10.036 3.402 1.00 4.21 H new ATOM 0 HG2 GLU A 15 -14.158 12.352 3.115 1.00 5.16 H new ATOM 0 HG3 GLU A 15 -15.902 12.501 3.051 1.00 5.16 H new ATOM 52 N SER A 16 -13.434 7.507 2.339 1.00 2.29 N ATOM 53 CA SER A 16 -13.574 6.114 1.956 1.00 2.23 C ATOM 54 C SER A 16 -12.192 5.468 1.898 1.00 1.84 C ATOM 55 O SER A 16 -11.187 6.151 2.092 1.00 2.63 O ATOM 56 CB SER A 16 -14.270 6.031 0.597 1.00 3.27 C ATOM 57 OG SER A 16 -13.669 6.918 -0.336 1.00 4.00 O ATOM 0 H SER A 16 -12.591 7.951 1.975 1.00 2.29 H new ATOM 0 HA SER A 16 -14.179 5.580 2.689 1.00 2.23 H new ATOM 0 HB2 SER A 16 -14.218 5.010 0.219 1.00 3.27 H new ATOM 0 HB3 SER A 16 -15.326 6.276 0.709 1.00 3.27 H new ATOM 0 HG SER A 16 -14.129 6.847 -1.198 1.00 4.00 H new ATOM 63 N HIS A 17 -12.146 4.159 1.669 1.00 1.21 N ATOM 64 CA HIS A 17 -10.879 3.439 1.539 1.00 1.12 C ATOM 65 C HIS A 17 -10.439 3.391 0.075 1.00 0.95 C ATOM 66 O HIS A 17 -10.848 2.503 -0.667 1.00 1.29 O ATOM 67 CB HIS A 17 -11.016 2.010 2.078 1.00 1.94 C ATOM 68 CG HIS A 17 -11.369 1.926 3.535 1.00 2.42 C ATOM 69 ND1 HIS A 17 -10.985 2.864 4.469 1.00 3.33 N ATOM 70 CD2 HIS A 17 -12.071 0.991 4.217 1.00 2.69 C ATOM 71 CE1 HIS A 17 -11.434 2.511 5.657 1.00 3.81 C ATOM 72 NE2 HIS A 17 -12.096 1.379 5.534 1.00 3.44 N ATOM 0 H HIS A 17 -12.974 3.571 1.569 1.00 1.21 H new ATOM 0 HA HIS A 17 -10.126 3.970 2.122 1.00 1.12 H new ATOM 0 HB2 HIS A 17 -11.780 1.489 1.501 1.00 1.94 H new ATOM 0 HB3 HIS A 17 -10.077 1.481 1.913 1.00 1.94 H new ATOM 0 HD2 HIS A 17 -12.527 0.104 3.802 1.00 2.69 H new ATOM 0 HE1 HIS A 17 -11.284 3.058 6.576 1.00 3.81 H new ATOM 0 HE2 HIS A 17 -12.553 0.873 6.293 1.00 3.44 H new ATOM 81 N PRO A 18 -9.592 4.337 -0.362 1.00 0.69 N ATOM 82 CA PRO A 18 -9.232 4.492 -1.761 1.00 0.74 C ATOM 83 C PRO A 18 -7.933 3.780 -2.160 1.00 0.62 C ATOM 84 O PRO A 18 -7.959 2.749 -2.838 1.00 0.57 O ATOM 85 CB PRO A 18 -9.069 6.009 -1.881 1.00 0.95 C ATOM 86 CG PRO A 18 -8.704 6.494 -0.504 1.00 1.15 C ATOM 87 CD PRO A 18 -8.919 5.346 0.460 1.00 0.84 C ATOM 0 HA PRO A 18 -9.977 4.048 -2.421 1.00 0.74 H new ATOM 0 HB2 PRO A 18 -8.293 6.263 -2.603 1.00 0.95 H new ATOM 0 HB3 PRO A 18 -9.991 6.475 -2.228 1.00 0.95 H new ATOM 0 HG2 PRO A 18 -7.666 6.826 -0.478 1.00 1.15 H new ATOM 0 HG3 PRO A 18 -9.319 7.349 -0.224 1.00 1.15 H new ATOM 0 HD2 PRO A 18 -7.976 4.975 0.860 1.00 0.84 H new ATOM 0 HD3 PRO A 18 -9.531 5.645 1.311 1.00 0.84 H new ATOM 95 N HIS A 19 -6.799 4.320 -1.720 1.00 0.68 N ATOM 96 CA HIS A 19 -5.497 3.854 -2.189 1.00 0.70 C ATOM 97 C HIS A 19 -5.186 2.488 -1.599 1.00 0.61 C ATOM 98 O HIS A 19 -4.667 1.610 -2.285 1.00 0.63 O ATOM 99 CB HIS A 19 -4.382 4.852 -1.832 1.00 0.95 C ATOM 100 CG HIS A 19 -4.517 6.207 -2.472 1.00 0.54 C ATOM 101 ND1 HIS A 19 -3.437 6.957 -2.883 1.00 1.09 N ATOM 102 CD2 HIS A 19 -5.611 6.958 -2.751 1.00 1.06 C ATOM 103 CE1 HIS A 19 -3.857 8.101 -3.385 1.00 1.26 C ATOM 104 NE2 HIS A 19 -5.173 8.128 -3.318 1.00 1.23 N ATOM 0 H HIS A 19 -6.755 5.079 -1.040 1.00 0.68 H new ATOM 0 HA HIS A 19 -5.541 3.774 -3.275 1.00 0.70 H new ATOM 0 HB2 HIS A 19 -4.360 4.978 -0.750 1.00 0.95 H new ATOM 0 HB3 HIS A 19 -3.423 4.423 -2.123 1.00 0.95 H new ATOM 0 HD1 HIS A 19 -2.461 6.671 -2.810 1.00 1.09 H new ATOM 0 HD2 HIS A 19 -6.639 6.685 -2.562 1.00 1.06 H new ATOM 0 HE1 HIS A 19 -3.229 8.884 -3.784 1.00 1.26 H new ATOM 113 N ILE A 20 -5.539 2.309 -0.337 1.00 0.60 N ATOM 114 CA ILE A 20 -5.319 1.043 0.351 1.00 0.61 C ATOM 115 C ILE A 20 -6.010 -0.115 -0.366 1.00 0.55 C ATOM 116 O ILE A 20 -5.454 -1.207 -0.483 1.00 0.62 O ATOM 117 CB ILE A 20 -5.825 1.104 1.808 1.00 0.65 C ATOM 118 CG1 ILE A 20 -7.282 1.567 1.865 1.00 0.93 C ATOM 119 CG2 ILE A 20 -4.948 2.026 2.631 1.00 1.21 C ATOM 120 CD1 ILE A 20 -7.809 1.722 3.275 1.00 0.90 C ATOM 0 H ILE A 20 -5.982 3.027 0.236 1.00 0.60 H new ATOM 0 HA ILE A 20 -4.243 0.870 0.348 1.00 0.61 H new ATOM 0 HB ILE A 20 -5.772 0.099 2.227 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -7.373 2.520 1.344 1.00 0.93 H new ATOM 0 HG13 ILE A 20 -7.904 0.850 1.329 1.00 0.93 H new ATOM 0 HG21 ILE A 20 -5.317 2.059 3.656 1.00 1.21 H new ATOM 0 HG22 ILE A 20 -3.923 1.654 2.626 1.00 1.21 H new ATOM 0 HG23 ILE A 20 -4.972 3.029 2.204 1.00 1.21 H new ATOM 0 HD11 ILE A 20 -8.847 2.053 3.241 1.00 0.90 H new ATOM 0 HD12 ILE A 20 -7.750 0.765 3.793 1.00 0.90 H new ATOM 0 HD13 ILE A 20 -7.210 2.461 3.808 1.00 0.90 H new ATOM 132 N GLN A 21 -7.216 0.138 -0.854 1.00 0.49 N ATOM 133 CA GLN A 21 -8.033 -0.899 -1.460 1.00 0.50 C ATOM 134 C GLN A 21 -7.424 -1.384 -2.775 1.00 0.50 C ATOM 135 O GLN A 21 -7.289 -2.587 -3.003 1.00 0.57 O ATOM 136 CB GLN A 21 -9.446 -0.367 -1.693 1.00 0.56 C ATOM 137 CG GLN A 21 -10.550 -1.257 -1.137 1.00 0.93 C ATOM 138 CD GLN A 21 -10.723 -1.172 0.378 1.00 1.00 C ATOM 139 OE1 GLN A 21 -9.635 -1.021 1.129 1.00 1.72 O flip ATOM 140 NE2 GLN A 21 -11.840 -1.283 0.877 1.00 0.82 N flip ATOM 0 H GLN A 21 -7.651 1.060 -0.841 1.00 0.49 H new ATOM 0 HA GLN A 21 -8.074 -1.750 -0.780 1.00 0.50 H new ATOM 0 HB2 GLN A 21 -9.529 0.621 -1.240 1.00 0.56 H new ATOM 0 HB3 GLN A 21 -9.602 -0.241 -2.764 1.00 0.56 H new ATOM 0 HG2 GLN A 21 -11.492 -0.988 -1.614 1.00 0.93 H new ATOM 0 HG3 GLN A 21 -10.339 -2.291 -1.409 1.00 0.93 H new ATOM 0 HE21 GLN A 21 -12.657 -1.398 0.278 1.00 0.82 H new ATOM 0 HE22 GLN A 21 -11.950 -1.260 1.891 1.00 0.82 H new ATOM 149 N LEU A 22 -7.046 -0.436 -3.627 1.00 0.51 N ATOM 150 CA LEU A 22 -6.507 -0.745 -4.941 1.00 0.54 C ATOM 151 C LEU A 22 -5.203 -1.542 -4.851 1.00 0.50 C ATOM 152 O LEU A 22 -4.920 -2.380 -5.708 1.00 0.49 O ATOM 153 CB LEU A 22 -6.289 0.556 -5.721 1.00 0.65 C ATOM 154 CG LEU A 22 -4.962 1.276 -5.468 1.00 1.06 C ATOM 155 CD1 LEU A 22 -3.941 0.913 -6.533 1.00 0.75 C ATOM 156 CD2 LEU A 22 -5.173 2.774 -5.419 1.00 1.93 C ATOM 0 H LEU A 22 -7.105 0.562 -3.425 1.00 0.51 H new ATOM 0 HA LEU A 22 -7.228 -1.371 -5.466 1.00 0.54 H new ATOM 0 HB2 LEU A 22 -6.362 0.335 -6.786 1.00 0.65 H new ATOM 0 HB3 LEU A 22 -7.103 1.241 -5.481 1.00 0.65 H new ATOM 0 HG LEU A 22 -4.575 0.951 -4.502 1.00 1.06 H new ATOM 0 HD11 LEU A 22 -3.006 1.436 -6.334 1.00 0.75 H new ATOM 0 HD12 LEU A 22 -3.766 -0.163 -6.517 1.00 0.75 H new ATOM 0 HD13 LEU A 22 -4.318 1.205 -7.513 1.00 0.75 H new ATOM 0 HD21 LEU A 22 -4.219 3.270 -5.238 1.00 1.93 H new ATOM 0 HD22 LEU A 22 -5.585 3.115 -6.369 1.00 1.93 H new ATOM 0 HD23 LEU A 22 -5.867 3.018 -4.614 1.00 1.93 H new ATOM 168 N LEU A 23 -4.433 -1.292 -3.792 1.00 0.51 N ATOM 169 CA LEU A 23 -3.081 -1.831 -3.657 1.00 0.51 C ATOM 170 C LEU A 23 -3.061 -3.354 -3.731 1.00 0.46 C ATOM 171 O LEU A 23 -2.192 -3.938 -4.381 1.00 0.48 O ATOM 172 CB LEU A 23 -2.489 -1.386 -2.315 1.00 0.61 C ATOM 173 CG LEU A 23 -1.553 -0.171 -2.345 1.00 0.73 C ATOM 174 CD1 LEU A 23 -0.106 -0.617 -2.474 1.00 1.47 C ATOM 175 CD2 LEU A 23 -1.913 0.779 -3.479 1.00 1.03 C ATOM 0 H LEU A 23 -4.728 -0.712 -3.006 1.00 0.51 H new ATOM 0 HA LEU A 23 -2.487 -1.447 -4.487 1.00 0.51 H new ATOM 0 HB2 LEU A 23 -3.313 -1.165 -1.636 1.00 0.61 H new ATOM 0 HB3 LEU A 23 -1.942 -2.227 -1.889 1.00 0.61 H new ATOM 0 HG LEU A 23 -1.676 0.365 -1.404 1.00 0.73 H new ATOM 0 HD11 LEU A 23 0.544 0.258 -2.494 1.00 1.47 H new ATOM 0 HD12 LEU A 23 0.158 -1.246 -1.624 1.00 1.47 H new ATOM 0 HD13 LEU A 23 0.019 -1.183 -3.397 1.00 1.47 H new ATOM 0 HD21 LEU A 23 -1.231 1.629 -3.472 1.00 1.03 H new ATOM 0 HD22 LEU A 23 -1.831 0.256 -4.432 1.00 1.03 H new ATOM 0 HD23 LEU A 23 -2.935 1.133 -3.346 1.00 1.03 H new ATOM 187 N LYS A 24 -4.021 -3.991 -3.076 1.00 0.45 N ATOM 188 CA LYS A 24 -4.059 -5.445 -3.020 1.00 0.46 C ATOM 189 C LYS A 24 -4.361 -6.051 -4.394 1.00 0.44 C ATOM 190 O LYS A 24 -3.876 -7.128 -4.719 1.00 0.49 O ATOM 191 CB LYS A 24 -5.064 -5.925 -1.958 1.00 0.51 C ATOM 192 CG LYS A 24 -6.526 -5.957 -2.407 1.00 0.53 C ATOM 193 CD LYS A 24 -6.866 -7.272 -3.098 1.00 1.12 C ATOM 194 CE LYS A 24 -8.232 -7.235 -3.760 1.00 1.24 C ATOM 195 NZ LYS A 24 -9.339 -7.177 -2.772 1.00 1.92 N ATOM 0 H LYS A 24 -4.781 -3.527 -2.578 1.00 0.45 H new ATOM 0 HA LYS A 24 -3.070 -5.795 -2.725 1.00 0.46 H new ATOM 0 HB2 LYS A 24 -4.778 -6.927 -1.638 1.00 0.51 H new ATOM 0 HB3 LYS A 24 -4.983 -5.276 -1.086 1.00 0.51 H new ATOM 0 HG2 LYS A 24 -7.177 -5.819 -1.543 1.00 0.53 H new ATOM 0 HG3 LYS A 24 -6.718 -5.127 -3.087 1.00 0.53 H new ATOM 0 HD2 LYS A 24 -6.107 -7.494 -3.848 1.00 1.12 H new ATOM 0 HD3 LYS A 24 -6.839 -8.081 -2.368 1.00 1.12 H new ATOM 0 HE2 LYS A 24 -8.290 -6.368 -4.418 1.00 1.24 H new ATOM 0 HE3 LYS A 24 -8.353 -8.119 -4.386 1.00 1.24 H new ATOM 0 HZ1 LYS A 24 -10.250 -7.153 -3.273 1.00 1.92 H new ATOM 0 HZ2 LYS A 24 -9.302 -8.017 -2.160 1.00 1.92 H new ATOM 0 HZ3 LYS A 24 -9.241 -6.320 -2.191 1.00 1.92 H new ATOM 209 N SER A 25 -5.171 -5.365 -5.194 1.00 0.43 N ATOM 210 CA SER A 25 -5.621 -5.917 -6.465 1.00 0.50 C ATOM 211 C SER A 25 -4.463 -6.012 -7.452 1.00 0.52 C ATOM 212 O SER A 25 -4.297 -7.018 -8.134 1.00 0.74 O ATOM 213 CB SER A 25 -6.747 -5.066 -7.049 1.00 0.55 C ATOM 214 OG SER A 25 -7.370 -5.716 -8.144 1.00 1.00 O ATOM 0 H SER A 25 -5.527 -4.432 -4.986 1.00 0.43 H new ATOM 0 HA SER A 25 -6.002 -6.922 -6.284 1.00 0.50 H new ATOM 0 HB2 SER A 25 -7.488 -4.860 -6.277 1.00 0.55 H new ATOM 0 HB3 SER A 25 -6.348 -4.105 -7.373 1.00 0.55 H new ATOM 0 HG SER A 25 -7.848 -5.055 -8.688 1.00 1.00 H new ATOM 220 N ASN A 26 -3.649 -4.970 -7.501 1.00 0.41 N ATOM 221 CA ASN A 26 -2.473 -4.958 -8.363 1.00 0.47 C ATOM 222 C ASN A 26 -1.221 -5.228 -7.541 1.00 0.45 C ATOM 223 O ASN A 26 -0.166 -4.631 -7.755 1.00 0.46 O ATOM 224 CB ASN A 26 -2.363 -3.630 -9.126 1.00 0.55 C ATOM 225 CG ASN A 26 -2.658 -2.400 -8.277 1.00 0.65 C ATOM 226 OD1 ASN A 26 -3.235 -1.430 -8.770 1.00 1.50 O ATOM 227 ND2 ASN A 26 -2.253 -2.409 -7.013 1.00 0.74 N ATOM 0 H ASN A 26 -3.779 -4.119 -6.954 1.00 0.41 H new ATOM 0 HA ASN A 26 -2.576 -5.751 -9.104 1.00 0.47 H new ATOM 0 HB2 ASN A 26 -1.358 -3.542 -9.538 1.00 0.55 H new ATOM 0 HB3 ASN A 26 -3.052 -3.650 -9.970 1.00 0.55 H new ATOM 0 HD21 ASN A 26 -2.417 -1.596 -6.419 1.00 0.74 H new ATOM 0 HD22 ASN A 26 -1.778 -3.229 -6.636 1.00 0.74 H new ATOM 234 N ARG A 27 -1.375 -6.131 -6.585 1.00 0.46 N ATOM 235 CA ARG A 27 -0.305 -6.505 -5.669 1.00 0.50 C ATOM 236 C ARG A 27 0.949 -6.981 -6.400 1.00 0.48 C ATOM 237 O ARG A 27 2.055 -6.524 -6.105 1.00 0.54 O ATOM 238 CB ARG A 27 -0.793 -7.590 -4.701 1.00 0.57 C ATOM 239 CG ARG A 27 -1.459 -8.788 -5.363 1.00 1.30 C ATOM 240 CD ARG A 27 -2.041 -9.738 -4.329 1.00 2.15 C ATOM 241 NE ARG A 27 -1.291 -10.991 -4.255 1.00 3.26 N ATOM 242 CZ ARG A 27 -1.769 -12.111 -3.714 1.00 4.21 C ATOM 243 NH1 ARG A 27 -2.928 -12.099 -3.064 1.00 4.46 N ATOM 244 NH2 ARG A 27 -1.072 -13.239 -3.800 1.00 5.24 N ATOM 0 H ARG A 27 -2.250 -6.629 -6.421 1.00 0.46 H new ATOM 0 HA ARG A 27 -0.033 -5.610 -5.110 1.00 0.50 H new ATOM 0 HB2 ARG A 27 0.056 -7.943 -4.116 1.00 0.57 H new ATOM 0 HB3 ARG A 27 -1.498 -7.141 -4.001 1.00 0.57 H new ATOM 0 HG2 ARG A 27 -2.250 -8.445 -6.030 1.00 1.30 H new ATOM 0 HG3 ARG A 27 -0.731 -9.318 -5.978 1.00 1.30 H new ATOM 0 HD2 ARG A 27 -2.039 -9.256 -3.351 1.00 2.15 H new ATOM 0 HD3 ARG A 27 -3.081 -9.952 -4.577 1.00 2.15 H new ATOM 0 HE ARG A 27 -0.347 -11.009 -4.640 1.00 3.26 H new ATOM 0 HH11 ARG A 27 -3.455 -11.230 -2.978 1.00 4.46 H new ATOM 0 HH12 ARG A 27 -3.290 -12.959 -2.651 1.00 4.46 H new ATOM 0 HH21 ARG A 27 -0.172 -13.247 -4.280 1.00 5.24 H new ATOM 0 HH22 ARG A 27 -1.437 -14.097 -3.386 1.00 5.24 H new ATOM 258 N GLU A 28 0.775 -7.878 -7.360 1.00 0.51 N ATOM 259 CA GLU A 28 1.908 -8.463 -8.075 1.00 0.59 C ATOM 260 C GLU A 28 2.632 -7.425 -8.932 1.00 0.55 C ATOM 261 O GLU A 28 3.854 -7.473 -9.076 1.00 0.60 O ATOM 262 CB GLU A 28 1.499 -9.689 -8.922 1.00 0.74 C ATOM 263 CG GLU A 28 0.053 -9.717 -9.417 1.00 1.08 C ATOM 264 CD GLU A 28 -0.336 -8.503 -10.235 1.00 1.55 C ATOM 265 OE1 GLU A 28 -0.026 -8.477 -11.444 1.00 2.17 O ATOM 266 OE2 GLU A 28 -0.943 -7.571 -9.672 1.00 1.93 O ATOM 0 H GLU A 28 -0.137 -8.218 -7.664 1.00 0.51 H new ATOM 0 HA GLU A 28 2.604 -8.814 -7.313 1.00 0.59 H new ATOM 0 HB2 GLU A 28 2.158 -9.742 -9.788 1.00 0.74 H new ATOM 0 HB3 GLU A 28 1.676 -10.588 -8.331 1.00 0.74 H new ATOM 0 HG2 GLU A 28 -0.098 -10.613 -10.019 1.00 1.08 H new ATOM 0 HG3 GLU A 28 -0.614 -9.794 -8.558 1.00 1.08 H new ATOM 273 N LEU A 29 1.890 -6.475 -9.478 1.00 0.51 N ATOM 274 CA LEU A 29 2.492 -5.408 -10.266 1.00 0.52 C ATOM 275 C LEU A 29 3.328 -4.487 -9.382 1.00 0.49 C ATOM 276 O LEU A 29 4.464 -4.146 -9.709 1.00 0.50 O ATOM 277 CB LEU A 29 1.414 -4.591 -10.986 1.00 0.54 C ATOM 278 CG LEU A 29 1.942 -3.424 -11.824 1.00 0.62 C ATOM 279 CD1 LEU A 29 2.792 -3.932 -12.978 1.00 1.13 C ATOM 280 CD2 LEU A 29 0.793 -2.576 -12.339 1.00 0.57 C ATOM 0 H LEU A 29 0.875 -6.419 -9.392 1.00 0.51 H new ATOM 0 HA LEU A 29 3.142 -5.870 -11.009 1.00 0.52 H new ATOM 0 HB2 LEU A 29 0.846 -5.258 -11.635 1.00 0.54 H new ATOM 0 HB3 LEU A 29 0.718 -4.200 -10.243 1.00 0.54 H new ATOM 0 HG LEU A 29 2.570 -2.802 -11.187 1.00 0.62 H new ATOM 0 HD11 LEU A 29 3.157 -3.086 -13.561 1.00 1.13 H new ATOM 0 HD12 LEU A 29 3.639 -4.495 -12.586 1.00 1.13 H new ATOM 0 HD13 LEU A 29 2.190 -4.579 -13.616 1.00 1.13 H new ATOM 0 HD21 LEU A 29 1.187 -1.751 -12.933 1.00 0.57 H new ATOM 0 HD22 LEU A 29 0.138 -3.188 -12.959 1.00 0.57 H new ATOM 0 HD23 LEU A 29 0.228 -2.179 -11.496 1.00 0.57 H new ATOM 292 N LEU A 30 2.755 -4.069 -8.269 1.00 0.50 N ATOM 293 CA LEU A 30 3.430 -3.149 -7.367 1.00 0.54 C ATOM 294 C LEU A 30 4.604 -3.804 -6.636 1.00 0.48 C ATOM 295 O LEU A 30 5.584 -3.128 -6.319 1.00 0.50 O ATOM 296 CB LEU A 30 2.449 -2.530 -6.372 1.00 0.68 C ATOM 297 CG LEU A 30 1.635 -1.333 -6.900 1.00 0.84 C ATOM 298 CD1 LEU A 30 0.909 -1.669 -8.194 1.00 0.91 C ATOM 299 CD2 LEU A 30 0.635 -0.885 -5.852 1.00 1.04 C ATOM 0 H LEU A 30 1.823 -4.351 -7.966 1.00 0.50 H new ATOM 0 HA LEU A 30 3.842 -2.352 -7.986 1.00 0.54 H new ATOM 0 HB2 LEU A 30 1.754 -3.303 -6.045 1.00 0.68 H new ATOM 0 HB3 LEU A 30 3.006 -2.208 -5.492 1.00 0.68 H new ATOM 0 HG LEU A 30 2.335 -0.525 -7.111 1.00 0.84 H new ATOM 0 HD11 LEU A 30 0.347 -0.799 -8.533 1.00 0.91 H new ATOM 0 HD12 LEU A 30 1.635 -1.951 -8.956 1.00 0.91 H new ATOM 0 HD13 LEU A 30 0.224 -2.499 -8.022 1.00 0.91 H new ATOM 0 HD21 LEU A 30 0.064 -0.039 -6.233 1.00 1.04 H new ATOM 0 HD22 LEU A 30 -0.043 -1.707 -5.622 1.00 1.04 H new ATOM 0 HD23 LEU A 30 1.165 -0.587 -4.947 1.00 1.04 H new ATOM 311 N VAL A 31 4.515 -5.102 -6.358 1.00 0.45 N ATOM 312 CA VAL A 31 5.592 -5.784 -5.641 1.00 0.45 C ATOM 313 C VAL A 31 6.849 -5.896 -6.510 1.00 0.46 C ATOM 314 O VAL A 31 7.959 -5.673 -6.028 1.00 0.54 O ATOM 315 CB VAL A 31 5.168 -7.184 -5.111 1.00 0.45 C ATOM 316 CG1 VAL A 31 4.886 -8.158 -6.242 1.00 1.20 C ATOM 317 CG2 VAL A 31 6.228 -7.750 -4.179 1.00 1.29 C ATOM 0 H VAL A 31 3.725 -5.695 -6.612 1.00 0.45 H new ATOM 0 HA VAL A 31 5.821 -5.169 -4.771 1.00 0.45 H new ATOM 0 HB VAL A 31 4.241 -7.050 -4.553 1.00 0.45 H new ATOM 0 HG11 VAL A 31 4.593 -9.123 -5.827 1.00 1.20 H new ATOM 0 HG12 VAL A 31 4.079 -7.770 -6.863 1.00 1.20 H new ATOM 0 HG13 VAL A 31 5.783 -8.281 -6.848 1.00 1.20 H new ATOM 0 HG21 VAL A 31 5.911 -8.729 -3.820 1.00 1.29 H new ATOM 0 HG22 VAL A 31 7.171 -7.848 -4.717 1.00 1.29 H new ATOM 0 HG23 VAL A 31 6.363 -7.079 -3.331 1.00 1.29 H new ATOM 327 N THR A 32 6.673 -6.213 -7.792 1.00 0.45 N ATOM 328 CA THR A 32 7.801 -6.311 -8.712 1.00 0.51 C ATOM 329 C THR A 32 8.395 -4.932 -8.995 1.00 0.49 C ATOM 330 O THR A 32 9.572 -4.828 -9.337 1.00 0.55 O ATOM 331 CB THR A 32 7.436 -7.021 -10.041 1.00 0.58 C ATOM 332 OG1 THR A 32 8.601 -7.134 -10.874 1.00 0.71 O ATOM 333 CG2 THR A 32 6.349 -6.276 -10.800 1.00 0.59 C ATOM 0 H THR A 32 5.764 -6.405 -8.214 1.00 0.45 H new ATOM 0 HA THR A 32 8.549 -6.929 -8.215 1.00 0.51 H new ATOM 0 HB THR A 32 7.058 -8.012 -9.788 1.00 0.58 H new ATOM 0 HG1 THR A 32 8.362 -7.585 -11.711 1.00 0.71 H new ATOM 0 HG21 THR A 32 6.122 -6.806 -11.725 1.00 0.59 H new ATOM 0 HG22 THR A 32 5.451 -6.218 -10.186 1.00 0.59 H new ATOM 0 HG23 THR A 32 6.694 -5.269 -11.034 1.00 0.59 H new ATOM 341 N HIS A 33 7.553 -3.890 -8.886 1.00 0.43 N ATOM 342 CA HIS A 33 7.983 -2.498 -9.086 1.00 0.45 C ATOM 343 C HIS A 33 9.354 -2.239 -8.474 1.00 0.51 C ATOM 344 O HIS A 33 10.323 -1.985 -9.187 1.00 0.68 O ATOM 345 CB HIS A 33 6.963 -1.522 -8.479 1.00 0.47 C ATOM 346 CG HIS A 33 5.876 -1.117 -9.425 1.00 0.52 C ATOM 347 ND1 HIS A 33 4.650 -0.644 -9.008 1.00 1.27 N ATOM 348 CD2 HIS A 33 5.850 -1.075 -10.777 1.00 1.18 C ATOM 349 CE1 HIS A 33 3.922 -0.331 -10.063 1.00 1.03 C ATOM 350 NE2 HIS A 33 4.625 -0.581 -11.151 1.00 0.85 N ATOM 0 H HIS A 33 6.564 -3.989 -8.659 1.00 0.43 H new ATOM 0 HA HIS A 33 8.048 -2.335 -10.162 1.00 0.45 H new ATOM 0 HB2 HIS A 33 6.513 -1.982 -7.599 1.00 0.47 H new ATOM 0 HB3 HIS A 33 7.487 -0.629 -8.139 1.00 0.47 H new ATOM 0 HD2 HIS A 33 6.647 -1.375 -11.441 1.00 1.18 H new ATOM 0 HE1 HIS A 33 2.917 0.064 -10.040 1.00 1.03 H new ATOM 0 HE2 HIS A 33 4.311 -0.432 -12.110 1.00 0.85 H new ATOM 359 N ILE A 34 9.435 -2.310 -7.158 1.00 0.51 N ATOM 360 CA ILE A 34 10.697 -2.098 -6.482 1.00 0.62 C ATOM 361 C ILE A 34 10.954 -3.245 -5.502 1.00 0.55 C ATOM 362 O ILE A 34 11.921 -3.982 -5.666 1.00 0.63 O ATOM 363 CB ILE A 34 10.751 -0.688 -5.804 1.00 0.85 C ATOM 364 CG1 ILE A 34 12.140 -0.389 -5.206 1.00 1.71 C ATOM 365 CG2 ILE A 34 9.655 -0.513 -4.760 1.00 1.51 C ATOM 366 CD1 ILE A 34 12.398 -0.996 -3.840 1.00 2.62 C ATOM 0 H ILE A 34 8.647 -2.511 -6.542 1.00 0.51 H new ATOM 0 HA ILE A 34 11.505 -2.104 -7.214 1.00 0.62 H new ATOM 0 HB ILE A 34 10.569 0.042 -6.593 1.00 0.85 H new ATOM 0 HG12 ILE A 34 12.901 -0.751 -5.897 1.00 1.71 H new ATOM 0 HG13 ILE A 34 12.263 0.692 -5.135 1.00 1.71 H new ATOM 0 HG21 ILE A 34 9.731 0.479 -4.316 1.00 1.51 H new ATOM 0 HG22 ILE A 34 8.680 -0.625 -5.234 1.00 1.51 H new ATOM 0 HG23 ILE A 34 9.769 -1.268 -3.982 1.00 1.51 H new ATOM 0 HD11 ILE A 34 13.401 -0.728 -3.506 1.00 2.62 H new ATOM 0 HD12 ILE A 34 11.665 -0.615 -3.128 1.00 2.62 H new ATOM 0 HD13 ILE A 34 12.314 -2.081 -3.902 1.00 2.62 H new ATOM 378 N ARG A 35 10.055 -3.424 -4.534 1.00 0.67 N ATOM 379 CA ARG A 35 10.155 -4.501 -3.541 1.00 0.80 C ATOM 380 C ARG A 35 8.845 -4.654 -2.782 1.00 0.71 C ATOM 381 O ARG A 35 8.548 -5.726 -2.260 1.00 0.79 O ATOM 382 CB ARG A 35 11.286 -4.255 -2.525 1.00 1.03 C ATOM 383 CG ARG A 35 12.659 -4.695 -3.005 1.00 1.54 C ATOM 384 CD ARG A 35 12.664 -6.167 -3.387 1.00 1.54 C ATOM 385 NE ARG A 35 13.705 -6.469 -4.363 1.00 1.79 N ATOM 386 CZ ARG A 35 13.536 -7.288 -5.399 1.00 2.43 C ATOM 387 NH1 ARG A 35 12.389 -7.937 -5.559 1.00 2.85 N ATOM 388 NH2 ARG A 35 14.522 -7.465 -6.267 1.00 3.25 N ATOM 0 H ARG A 35 9.236 -2.828 -4.414 1.00 0.67 H new ATOM 0 HA ARG A 35 10.379 -5.412 -4.095 1.00 0.80 H new ATOM 0 HB2 ARG A 35 11.320 -3.192 -2.286 1.00 1.03 H new ATOM 0 HB3 ARG A 35 11.050 -4.782 -1.601 1.00 1.03 H new ATOM 0 HG2 ARG A 35 12.957 -4.093 -3.864 1.00 1.54 H new ATOM 0 HG3 ARG A 35 13.395 -4.518 -2.221 1.00 1.54 H new ATOM 0 HD2 ARG A 35 12.815 -6.774 -2.494 1.00 1.54 H new ATOM 0 HD3 ARG A 35 11.691 -6.440 -3.797 1.00 1.54 H new ATOM 0 HE ARG A 35 14.616 -6.027 -4.245 1.00 1.79 H new ATOM 0 HH11 ARG A 35 11.633 -7.809 -4.887 1.00 2.85 H new ATOM 0 HH12 ARG A 35 12.264 -8.563 -6.354 1.00 2.85 H new ATOM 0 HH21 ARG A 35 15.407 -6.974 -6.140 1.00 3.25 H new ATOM 0 HH22 ARG A 35 14.396 -8.092 -7.062 1.00 3.25 H new ATOM 402 N ASN A 36 8.085 -3.552 -2.699 1.00 0.62 N ATOM 403 CA ASN A 36 6.805 -3.505 -1.974 1.00 0.60 C ATOM 404 C ASN A 36 7.030 -3.468 -0.457 1.00 0.64 C ATOM 405 O ASN A 36 6.236 -2.889 0.284 1.00 1.01 O ATOM 406 CB ASN A 36 5.891 -4.678 -2.363 1.00 0.69 C ATOM 407 CG ASN A 36 4.642 -4.773 -1.502 1.00 0.79 C ATOM 408 OD1 ASN A 36 4.622 -5.483 -0.496 1.00 1.26 O ATOM 409 ND2 ASN A 36 3.592 -4.064 -1.891 1.00 1.53 N ATOM 0 H ASN A 36 8.341 -2.665 -3.134 1.00 0.62 H new ATOM 0 HA ASN A 36 6.301 -2.583 -2.265 1.00 0.60 H new ATOM 0 HB2 ASN A 36 5.598 -4.571 -3.407 1.00 0.69 H new ATOM 0 HB3 ASN A 36 6.452 -5.609 -2.283 1.00 0.69 H new ATOM 0 HD21 ASN A 36 2.727 -4.095 -1.351 1.00 1.53 H new ATOM 0 HD22 ASN A 36 3.649 -3.488 -2.731 1.00 1.53 H new ATOM 416 N THR A 37 8.132 -4.056 -0.004 1.00 0.61 N ATOM 417 CA THR A 37 8.489 -4.054 1.406 1.00 0.65 C ATOM 418 C THR A 37 8.710 -2.632 1.922 1.00 0.54 C ATOM 419 O THR A 37 8.560 -2.355 3.109 1.00 0.46 O ATOM 420 CB THR A 37 9.758 -4.891 1.652 1.00 0.79 C ATOM 421 OG1 THR A 37 10.782 -4.509 0.723 1.00 1.15 O ATOM 422 CG2 THR A 37 9.464 -6.377 1.513 1.00 1.47 C ATOM 0 H THR A 37 8.798 -4.544 -0.602 1.00 0.61 H new ATOM 0 HA THR A 37 7.655 -4.498 1.950 1.00 0.65 H new ATOM 0 HB THR A 37 10.101 -4.702 2.669 1.00 0.79 H new ATOM 0 HG1 THR A 37 11.587 -5.044 0.886 1.00 1.15 H new ATOM 0 HG21 THR A 37 10.376 -6.947 1.691 1.00 1.47 H new ATOM 0 HG22 THR A 37 8.706 -6.668 2.241 1.00 1.47 H new ATOM 0 HG23 THR A 37 9.098 -6.583 0.507 1.00 1.47 H new ATOM 430 N GLN A 38 9.051 -1.728 1.015 1.00 0.58 N ATOM 431 CA GLN A 38 9.255 -0.332 1.371 1.00 0.56 C ATOM 432 C GLN A 38 7.964 0.290 1.898 1.00 0.50 C ATOM 433 O GLN A 38 7.996 1.185 2.743 1.00 0.47 O ATOM 434 CB GLN A 38 9.783 0.445 0.164 1.00 0.68 C ATOM 435 CG GLN A 38 11.096 -0.105 -0.380 1.00 0.95 C ATOM 436 CD GLN A 38 12.299 0.166 0.521 1.00 1.16 C ATOM 437 OE1 GLN A 38 12.080 0.265 1.825 1.00 1.88 O flip ATOM 438 NE2 GLN A 38 13.422 0.287 0.040 1.00 1.52 N flip ATOM 0 H GLN A 38 9.192 -1.937 0.027 1.00 0.58 H new ATOM 0 HA GLN A 38 9.997 -0.281 2.168 1.00 0.56 H new ATOM 0 HB2 GLN A 38 9.034 0.426 -0.627 1.00 0.68 H new ATOM 0 HB3 GLN A 38 9.923 1.489 0.446 1.00 0.68 H new ATOM 0 HG2 GLN A 38 10.997 -1.181 -0.524 1.00 0.95 H new ATOM 0 HG3 GLN A 38 11.283 0.332 -1.361 1.00 0.95 H new ATOM 0 HE21 GLN A 38 13.557 0.205 -0.968 1.00 1.52 H new ATOM 0 HE22 GLN A 38 14.220 0.469 0.648 1.00 1.52 H new ATOM 447 N CYS A 39 6.833 -0.216 1.424 1.00 0.53 N ATOM 448 CA CYS A 39 5.538 0.265 1.882 1.00 0.55 C ATOM 449 C CYS A 39 5.319 -0.120 3.339 1.00 0.46 C ATOM 450 O CYS A 39 4.961 0.709 4.175 1.00 0.47 O ATOM 451 CB CYS A 39 4.426 -0.361 1.036 1.00 0.66 C ATOM 452 SG CYS A 39 4.684 -0.231 -0.741 1.00 1.48 S ATOM 0 H CYS A 39 6.787 -0.957 0.725 1.00 0.53 H new ATOM 0 HA CYS A 39 5.516 1.350 1.784 1.00 0.55 H new ATOM 0 HB2 CYS A 39 4.333 -1.414 1.302 1.00 0.66 H new ATOM 0 HB3 CYS A 39 3.480 0.117 1.290 1.00 0.66 H new ATOM 0 HG CYS A 39 3.691 -0.791 -1.366 1.00 1.48 H new ATOM 458 N LEU A 40 5.566 -1.384 3.631 1.00 0.40 N ATOM 459 CA LEU A 40 5.300 -1.932 4.944 1.00 0.37 C ATOM 460 C LEU A 40 6.281 -1.442 5.996 1.00 0.28 C ATOM 461 O LEU A 40 5.894 -1.242 7.137 1.00 0.30 O ATOM 462 CB LEU A 40 5.235 -3.453 4.888 1.00 0.40 C ATOM 463 CG LEU A 40 6.271 -4.127 3.991 1.00 0.39 C ATOM 464 CD1 LEU A 40 7.454 -4.613 4.816 1.00 0.45 C ATOM 465 CD2 LEU A 40 5.644 -5.280 3.225 1.00 0.48 C ATOM 0 H LEU A 40 5.954 -2.054 2.968 1.00 0.40 H new ATOM 0 HA LEU A 40 4.323 -1.563 5.256 1.00 0.37 H new ATOM 0 HB2 LEU A 40 5.350 -3.841 5.900 1.00 0.40 H new ATOM 0 HB3 LEU A 40 4.242 -3.744 4.547 1.00 0.40 H new ATOM 0 HG LEU A 40 6.632 -3.393 3.270 1.00 0.39 H new ATOM 0 HD11 LEU A 40 8.183 -5.091 4.161 1.00 0.45 H new ATOM 0 HD12 LEU A 40 7.919 -3.765 5.319 1.00 0.45 H new ATOM 0 HD13 LEU A 40 7.109 -5.331 5.559 1.00 0.45 H new ATOM 0 HD21 LEU A 40 6.397 -5.748 2.591 1.00 0.48 H new ATOM 0 HD22 LEU A 40 5.254 -6.015 3.929 1.00 0.48 H new ATOM 0 HD23 LEU A 40 4.830 -4.905 2.605 1.00 0.48 H new ATOM 477 N VAL A 41 7.546 -1.270 5.633 1.00 0.24 N ATOM 478 CA VAL A 41 8.529 -0.793 6.600 1.00 0.23 C ATOM 479 C VAL A 41 8.190 0.612 7.092 1.00 0.24 C ATOM 480 O VAL A 41 8.212 0.872 8.297 1.00 0.26 O ATOM 481 CB VAL A 41 9.973 -0.807 6.058 1.00 0.28 C ATOM 482 CG1 VAL A 41 10.451 -2.238 5.853 1.00 0.31 C ATOM 483 CG2 VAL A 41 10.097 -0.011 4.765 1.00 0.33 C ATOM 0 H VAL A 41 7.911 -1.449 4.697 1.00 0.24 H new ATOM 0 HA VAL A 41 8.480 -1.496 7.432 1.00 0.23 H new ATOM 0 HB VAL A 41 10.609 -0.327 6.801 1.00 0.28 H new ATOM 0 HG11 VAL A 41 11.472 -2.229 5.470 1.00 0.31 H new ATOM 0 HG12 VAL A 41 10.425 -2.770 6.804 1.00 0.31 H new ATOM 0 HG13 VAL A 41 9.800 -2.740 5.138 1.00 0.31 H new ATOM 0 HG21 VAL A 41 11.129 -0.045 4.415 1.00 0.33 H new ATOM 0 HG22 VAL A 41 9.442 -0.443 4.008 1.00 0.33 H new ATOM 0 HG23 VAL A 41 9.809 1.024 4.946 1.00 0.33 H new ATOM 493 N ASP A 42 7.875 1.520 6.168 1.00 0.27 N ATOM 494 CA ASP A 42 7.505 2.874 6.557 1.00 0.32 C ATOM 495 C ASP A 42 6.180 2.852 7.315 1.00 0.30 C ATOM 496 O ASP A 42 5.944 3.652 8.217 1.00 0.31 O ATOM 497 CB ASP A 42 7.441 3.810 5.347 1.00 0.42 C ATOM 498 CG ASP A 42 7.504 5.268 5.769 1.00 1.48 C ATOM 499 OD1 ASP A 42 8.338 5.609 6.625 1.00 2.23 O ATOM 500 OD2 ASP A 42 6.720 6.081 5.254 1.00 1.82 O ATOM 0 H ASP A 42 7.869 1.344 5.163 1.00 0.27 H new ATOM 0 HA ASP A 42 8.278 3.266 7.218 1.00 0.32 H new ATOM 0 HB2 ASP A 42 8.267 3.590 4.671 1.00 0.42 H new ATOM 0 HB3 ASP A 42 6.519 3.629 4.794 1.00 0.42 H new ATOM 505 N ASN A 43 5.321 1.907 6.955 1.00 0.31 N ATOM 506 CA ASN A 43 4.091 1.671 7.666 1.00 0.34 C ATOM 507 C ASN A 43 4.390 1.140 9.072 1.00 0.30 C ATOM 508 O ASN A 43 3.688 1.457 10.034 1.00 0.33 O ATOM 509 CB ASN A 43 3.235 0.678 6.869 1.00 0.42 C ATOM 510 CG ASN A 43 1.771 0.772 7.216 1.00 0.73 C ATOM 511 OD1 ASN A 43 0.904 0.500 6.391 1.00 0.98 O ATOM 512 ND2 ASN A 43 1.482 1.177 8.431 1.00 1.10 N ATOM 0 H ASN A 43 5.467 1.286 6.159 1.00 0.31 H new ATOM 0 HA ASN A 43 3.538 2.604 7.774 1.00 0.34 H new ATOM 0 HB2 ASN A 43 3.365 0.864 5.803 1.00 0.42 H new ATOM 0 HB3 ASN A 43 3.586 -0.336 7.061 1.00 0.42 H new ATOM 0 HD21 ASN A 43 0.508 1.275 8.718 1.00 1.10 H new ATOM 0 HD22 ASN A 43 2.231 1.393 9.088 1.00 1.10 H new ATOM 519 N LEU A 44 5.457 0.360 9.187 1.00 0.28 N ATOM 520 CA LEU A 44 5.825 -0.257 10.451 1.00 0.31 C ATOM 521 C LEU A 44 6.373 0.788 11.398 1.00 0.34 C ATOM 522 O LEU A 44 5.938 0.864 12.534 1.00 0.48 O ATOM 523 CB LEU A 44 6.832 -1.409 10.220 1.00 0.34 C ATOM 524 CG LEU A 44 7.604 -1.959 11.444 1.00 0.81 C ATOM 525 CD1 LEU A 44 8.834 -1.128 11.752 1.00 0.61 C ATOM 526 CD2 LEU A 44 6.727 -2.045 12.675 1.00 1.93 C ATOM 0 H LEU A 44 6.085 0.140 8.414 1.00 0.28 H new ATOM 0 HA LEU A 44 4.937 -0.690 10.910 1.00 0.31 H new ATOM 0 HB2 LEU A 44 6.291 -2.239 9.767 1.00 0.34 H new ATOM 0 HB3 LEU A 44 7.565 -1.069 9.488 1.00 0.34 H new ATOM 0 HG LEU A 44 7.921 -2.967 11.175 1.00 0.81 H new ATOM 0 HD11 LEU A 44 9.348 -1.546 12.617 1.00 0.61 H new ATOM 0 HD12 LEU A 44 9.504 -1.137 10.892 1.00 0.61 H new ATOM 0 HD13 LEU A 44 8.535 -0.102 11.968 1.00 0.61 H new ATOM 0 HD21 LEU A 44 7.309 -2.436 13.510 1.00 1.93 H new ATOM 0 HD22 LEU A 44 6.354 -1.052 12.926 1.00 1.93 H new ATOM 0 HD23 LEU A 44 5.886 -2.709 12.477 1.00 1.93 H new ATOM 538 N LEU A 45 7.294 1.614 10.939 1.00 0.33 N ATOM 539 CA LEU A 45 7.846 2.639 11.814 1.00 0.47 C ATOM 540 C LEU A 45 6.756 3.603 12.264 1.00 0.44 C ATOM 541 O LEU A 45 6.827 4.171 13.354 1.00 0.50 O ATOM 542 CB LEU A 45 8.988 3.396 11.132 1.00 0.66 C ATOM 543 CG LEU A 45 8.657 4.032 9.781 1.00 0.71 C ATOM 544 CD1 LEU A 45 7.874 5.330 9.934 1.00 0.77 C ATOM 545 CD2 LEU A 45 9.926 4.273 9.006 1.00 1.28 C ATOM 0 H LEU A 45 7.670 1.601 9.991 1.00 0.33 H new ATOM 0 HA LEU A 45 8.254 2.142 12.694 1.00 0.47 H new ATOM 0 HB2 LEU A 45 9.331 4.181 11.806 1.00 0.66 H new ATOM 0 HB3 LEU A 45 9.822 2.708 10.993 1.00 0.66 H new ATOM 0 HG LEU A 45 8.021 3.336 9.233 1.00 0.71 H new ATOM 0 HD11 LEU A 45 7.662 5.745 8.949 1.00 0.77 H new ATOM 0 HD12 LEU A 45 6.937 5.130 10.453 1.00 0.77 H new ATOM 0 HD13 LEU A 45 8.463 6.044 10.510 1.00 0.77 H new ATOM 0 HD21 LEU A 45 9.685 4.726 8.044 1.00 1.28 H new ATOM 0 HD22 LEU A 45 10.575 4.943 9.570 1.00 1.28 H new ATOM 0 HD23 LEU A 45 10.438 3.325 8.842 1.00 1.28 H new ATOM 557 N LYS A 46 5.748 3.776 11.416 1.00 0.40 N ATOM 558 CA LYS A 46 4.698 4.737 11.679 1.00 0.46 C ATOM 559 C LYS A 46 3.751 4.236 12.775 1.00 0.47 C ATOM 560 O LYS A 46 3.314 5.010 13.627 1.00 0.59 O ATOM 561 CB LYS A 46 3.901 5.018 10.399 1.00 0.48 C ATOM 562 CG LYS A 46 3.637 6.498 10.148 1.00 0.80 C ATOM 563 CD LYS A 46 4.884 7.221 9.655 1.00 1.37 C ATOM 564 CE LYS A 46 5.324 6.698 8.293 1.00 1.51 C ATOM 565 NZ LYS A 46 6.527 7.400 7.767 1.00 2.32 N ATOM 0 H LYS A 46 5.641 3.260 10.542 1.00 0.40 H new ATOM 0 HA LYS A 46 5.168 5.658 12.023 1.00 0.46 H new ATOM 0 HB2 LYS A 46 4.443 4.606 9.548 1.00 0.48 H new ATOM 0 HB3 LYS A 46 2.947 4.493 10.454 1.00 0.48 H new ATOM 0 HG2 LYS A 46 2.840 6.605 9.412 1.00 0.80 H new ATOM 0 HG3 LYS A 46 3.286 6.965 11.068 1.00 0.80 H new ATOM 0 HD2 LYS A 46 4.685 8.291 9.589 1.00 1.37 H new ATOM 0 HD3 LYS A 46 5.692 7.091 10.375 1.00 1.37 H new ATOM 0 HE2 LYS A 46 5.536 5.631 8.369 1.00 1.51 H new ATOM 0 HE3 LYS A 46 4.504 6.810 7.584 1.00 1.51 H new ATOM 0 HZ1 LYS A 46 6.282 7.897 6.887 1.00 2.32 H new ATOM 0 HZ2 LYS A 46 6.863 8.087 8.471 1.00 2.32 H new ATOM 0 HZ3 LYS A 46 7.277 6.706 7.575 1.00 2.32 H new ATOM 579 N ASN A 47 3.435 2.941 12.750 1.00 0.39 N ATOM 580 CA ASN A 47 2.470 2.377 13.706 1.00 0.45 C ATOM 581 C ASN A 47 3.136 1.524 14.779 1.00 0.42 C ATOM 582 O ASN A 47 2.535 1.216 15.803 1.00 0.51 O ATOM 583 CB ASN A 47 1.416 1.544 12.976 1.00 0.47 C ATOM 584 CG ASN A 47 0.417 2.397 12.222 1.00 0.62 C ATOM 585 OD1 ASN A 47 0.633 2.743 11.062 1.00 1.08 O ATOM 586 ND2 ASN A 47 -0.691 2.720 12.872 1.00 1.37 N ATOM 0 H ASN A 47 3.824 2.268 12.090 1.00 0.39 H new ATOM 0 HA ASN A 47 1.996 3.223 14.203 1.00 0.45 H new ATOM 0 HB2 ASN A 47 1.911 0.869 12.278 1.00 0.47 H new ATOM 0 HB3 ASN A 47 0.886 0.923 13.698 1.00 0.47 H new ATOM 0 HD21 ASN A 47 -1.409 3.279 12.410 1.00 1.37 H new ATOM 0 HD22 ASN A 47 -0.827 2.410 13.834 1.00 1.37 H new ATOM 593 N ASP A 48 4.382 1.163 14.525 1.00 0.37 N ATOM 594 CA ASP A 48 5.215 0.394 15.452 1.00 0.43 C ATOM 595 C ASP A 48 4.646 -1.010 15.733 1.00 0.42 C ATOM 596 O ASP A 48 4.764 -1.517 16.846 1.00 0.51 O ATOM 597 CB ASP A 48 5.415 1.172 16.762 1.00 0.58 C ATOM 598 CG ASP A 48 6.640 0.718 17.538 1.00 1.13 C ATOM 599 OD1 ASP A 48 7.772 1.042 17.111 1.00 1.12 O ATOM 600 OD2 ASP A 48 6.482 0.067 18.593 1.00 1.90 O ATOM 0 H ASP A 48 4.858 1.397 13.654 1.00 0.37 H new ATOM 0 HA ASP A 48 6.182 0.250 14.971 1.00 0.43 H new ATOM 0 HB2 ASP A 48 5.507 2.235 16.537 1.00 0.58 H new ATOM 0 HB3 ASP A 48 4.530 1.054 17.388 1.00 0.58 H new ATOM 605 N TYR A 49 4.035 -1.646 14.721 1.00 0.42 N ATOM 606 CA TYR A 49 3.572 -3.039 14.868 1.00 0.59 C ATOM 607 C TYR A 49 3.158 -3.681 13.536 1.00 0.69 C ATOM 608 O TYR A 49 2.422 -4.665 13.519 1.00 1.34 O ATOM 609 CB TYR A 49 2.422 -3.163 15.890 1.00 0.72 C ATOM 610 CG TYR A 49 1.323 -2.127 15.759 1.00 0.77 C ATOM 611 CD1 TYR A 49 0.569 -2.011 14.600 1.00 1.04 C ATOM 612 CD2 TYR A 49 1.044 -1.261 16.809 1.00 0.71 C ATOM 613 CE1 TYR A 49 -0.428 -1.063 14.490 1.00 1.22 C ATOM 614 CE2 TYR A 49 0.049 -0.310 16.705 1.00 0.85 C ATOM 615 CZ TYR A 49 -0.682 -0.214 15.543 1.00 1.11 C ATOM 616 OH TYR A 49 -1.668 0.740 15.431 1.00 1.33 O ATOM 0 H TYR A 49 3.852 -1.230 13.808 1.00 0.42 H new ATOM 0 HA TYR A 49 4.435 -3.588 15.244 1.00 0.59 H new ATOM 0 HB2 TYR A 49 1.978 -4.154 15.794 1.00 0.72 H new ATOM 0 HB3 TYR A 49 2.842 -3.098 16.894 1.00 0.72 H new ATOM 0 HD1 TYR A 49 0.766 -2.674 13.770 1.00 1.04 H new ATOM 0 HD2 TYR A 49 1.616 -1.333 17.722 1.00 0.71 H new ATOM 0 HE1 TYR A 49 -1.007 -0.988 13.581 1.00 1.22 H new ATOM 0 HE2 TYR A 49 -0.155 0.355 17.531 1.00 0.85 H new ATOM 0 HH TYR A 49 -1.720 1.256 16.263 1.00 1.33 H new ATOM 626 N PHE A 50 3.652 -3.149 12.425 1.00 0.47 N ATOM 627 CA PHE A 50 3.369 -3.724 11.107 1.00 0.47 C ATOM 628 C PHE A 50 4.652 -4.269 10.499 1.00 0.47 C ATOM 629 O PHE A 50 4.849 -4.260 9.284 1.00 0.62 O ATOM 630 CB PHE A 50 2.721 -2.680 10.195 1.00 0.53 C ATOM 631 CG PHE A 50 1.297 -2.387 10.570 1.00 0.63 C ATOM 632 CD1 PHE A 50 0.422 -3.407 10.906 1.00 0.67 C ATOM 633 CD2 PHE A 50 0.836 -1.080 10.593 1.00 0.78 C ATOM 634 CE1 PHE A 50 -0.885 -3.128 11.259 1.00 0.83 C ATOM 635 CE2 PHE A 50 -0.469 -0.795 10.946 1.00 0.92 C ATOM 636 CZ PHE A 50 -1.348 -1.867 11.247 1.00 0.93 C ATOM 0 H PHE A 50 4.249 -2.323 12.405 1.00 0.47 H new ATOM 0 HA PHE A 50 2.664 -4.548 11.218 1.00 0.47 H new ATOM 0 HB2 PHE A 50 3.300 -1.758 10.236 1.00 0.53 H new ATOM 0 HB3 PHE A 50 2.756 -3.032 9.164 1.00 0.53 H new ATOM 0 HD1 PHE A 50 0.765 -4.431 10.892 1.00 0.67 H new ATOM 0 HD2 PHE A 50 1.506 -0.274 10.332 1.00 0.78 H new ATOM 0 HE1 PHE A 50 -1.543 -3.934 11.548 1.00 0.83 H new ATOM 0 HE2 PHE A 50 -0.814 0.227 10.992 1.00 0.92 H new ATOM 0 HZ PHE A 50 -2.387 -1.670 11.466 1.00 0.93 H new ATOM 646 N SER A 51 5.524 -4.724 11.384 1.00 0.45 N ATOM 647 CA SER A 51 6.789 -5.318 11.015 1.00 0.55 C ATOM 648 C SER A 51 6.630 -6.758 10.547 1.00 0.59 C ATOM 649 O SER A 51 5.519 -7.293 10.526 1.00 0.54 O ATOM 650 CB SER A 51 7.762 -5.252 12.193 1.00 0.62 C ATOM 651 OG SER A 51 7.135 -5.644 13.407 1.00 0.76 O ATOM 0 H SER A 51 5.367 -4.688 12.391 1.00 0.45 H new ATOM 0 HA SER A 51 7.189 -4.745 10.178 1.00 0.55 H new ATOM 0 HB2 SER A 51 8.617 -5.900 11.998 1.00 0.62 H new ATOM 0 HB3 SER A 51 8.147 -4.237 12.292 1.00 0.62 H new ATOM 0 HG SER A 51 7.782 -5.593 14.141 1.00 0.76 H new ATOM 657 N ALA A 52 7.743 -7.372 10.191 1.00 0.72 N ATOM 658 CA ALA A 52 7.767 -8.724 9.649 1.00 0.76 C ATOM 659 C ALA A 52 7.001 -9.740 10.508 1.00 0.71 C ATOM 660 O ALA A 52 6.436 -10.685 9.975 1.00 0.68 O ATOM 661 CB ALA A 52 9.207 -9.173 9.471 1.00 0.94 C ATOM 0 H ALA A 52 8.666 -6.945 10.269 1.00 0.72 H new ATOM 0 HA ALA A 52 7.256 -8.689 8.687 1.00 0.76 H new ATOM 0 HB1 ALA A 52 9.225 -10.185 9.065 1.00 0.94 H new ATOM 0 HB2 ALA A 52 9.716 -8.497 8.784 1.00 0.94 H new ATOM 0 HB3 ALA A 52 9.714 -9.160 10.436 1.00 0.94 H new ATOM 667 N GLU A 53 6.964 -9.565 11.824 1.00 0.76 N ATOM 668 CA GLU A 53 6.287 -10.544 12.676 1.00 0.79 C ATOM 669 C GLU A 53 4.803 -10.648 12.314 1.00 0.67 C ATOM 670 O GLU A 53 4.318 -11.727 11.989 1.00 0.67 O ATOM 671 CB GLU A 53 6.431 -10.157 14.148 1.00 0.92 C ATOM 672 CG GLU A 53 5.766 -11.135 15.102 1.00 1.56 C ATOM 673 CD GLU A 53 5.769 -10.641 16.530 1.00 2.33 C ATOM 674 OE1 GLU A 53 6.777 -10.849 17.236 1.00 3.00 O ATOM 675 OE2 GLU A 53 4.763 -10.033 16.952 1.00 2.87 O ATOM 0 H GLU A 53 7.382 -8.776 12.318 1.00 0.76 H new ATOM 0 HA GLU A 53 6.756 -11.514 12.512 1.00 0.79 H new ATOM 0 HB2 GLU A 53 7.490 -10.086 14.394 1.00 0.92 H new ATOM 0 HB3 GLU A 53 6.001 -9.167 14.298 1.00 0.92 H new ATOM 0 HG2 GLU A 53 4.738 -11.308 14.783 1.00 1.56 H new ATOM 0 HG3 GLU A 53 6.281 -12.094 15.051 1.00 1.56 H new ATOM 682 N ASP A 54 4.109 -9.521 12.280 1.00 0.59 N ATOM 683 CA ASP A 54 2.699 -9.515 11.890 1.00 0.53 C ATOM 684 C ASP A 54 2.577 -9.725 10.394 1.00 0.41 C ATOM 685 O ASP A 54 1.799 -10.554 9.919 1.00 0.38 O ATOM 686 CB ASP A 54 2.025 -8.195 12.287 1.00 0.54 C ATOM 687 CG ASP A 54 0.716 -7.960 11.549 1.00 0.59 C ATOM 688 OD1 ASP A 54 -0.337 -8.408 12.051 1.00 0.69 O ATOM 689 OD2 ASP A 54 0.733 -7.331 10.465 1.00 0.65 O ATOM 0 H ASP A 54 4.490 -8.604 12.514 1.00 0.59 H new ATOM 0 HA ASP A 54 2.196 -10.328 12.413 1.00 0.53 H new ATOM 0 HB2 ASP A 54 1.837 -8.196 13.361 1.00 0.54 H new ATOM 0 HB3 ASP A 54 2.706 -7.368 12.083 1.00 0.54 H new ATOM 694 N ALA A 55 3.401 -8.992 9.670 1.00 0.39 N ATOM 695 CA ALA A 55 3.350 -8.961 8.227 1.00 0.35 C ATOM 696 C ALA A 55 3.589 -10.336 7.611 1.00 0.33 C ATOM 697 O ALA A 55 2.820 -10.780 6.765 1.00 0.36 O ATOM 698 CB ALA A 55 4.393 -7.985 7.719 1.00 0.43 C ATOM 0 H ALA A 55 4.127 -8.399 10.072 1.00 0.39 H new ATOM 0 HA ALA A 55 2.350 -8.644 7.931 1.00 0.35 H new ATOM 0 HB1 ALA A 55 4.363 -7.954 6.630 1.00 0.43 H new ATOM 0 HB2 ALA A 55 4.185 -6.991 8.116 1.00 0.43 H new ATOM 0 HB3 ALA A 55 5.382 -8.307 8.045 1.00 0.43 H new ATOM 704 N GLU A 56 4.643 -11.009 8.034 1.00 0.36 N ATOM 705 CA GLU A 56 5.023 -12.273 7.424 1.00 0.41 C ATOM 706 C GLU A 56 4.094 -13.415 7.832 1.00 0.35 C ATOM 707 O GLU A 56 3.854 -14.324 7.037 1.00 0.38 O ATOM 708 CB GLU A 56 6.481 -12.621 7.721 1.00 0.56 C ATOM 709 CG GLU A 56 6.996 -13.799 6.911 1.00 0.96 C ATOM 710 CD GLU A 56 8.502 -13.894 6.915 1.00 1.60 C ATOM 711 OE1 GLU A 56 9.066 -14.453 7.879 1.00 2.44 O ATOM 712 OE2 GLU A 56 9.134 -13.405 5.956 1.00 1.81 O ATOM 0 H GLU A 56 5.250 -10.704 8.795 1.00 0.36 H new ATOM 0 HA GLU A 56 4.919 -12.143 6.347 1.00 0.41 H new ATOM 0 HB2 GLU A 56 7.104 -11.750 7.518 1.00 0.56 H new ATOM 0 HB3 GLU A 56 6.584 -12.846 8.782 1.00 0.56 H new ATOM 0 HG2 GLU A 56 6.577 -14.722 7.312 1.00 0.96 H new ATOM 0 HG3 GLU A 56 6.644 -13.710 5.883 1.00 0.96 H new ATOM 719 N ILE A 57 3.566 -13.389 9.056 1.00 0.35 N ATOM 720 CA ILE A 57 2.629 -14.430 9.467 1.00 0.40 C ATOM 721 C ILE A 57 1.382 -14.388 8.584 1.00 0.38 C ATOM 722 O ILE A 57 0.930 -15.416 8.079 1.00 0.45 O ATOM 723 CB ILE A 57 2.221 -14.310 10.954 1.00 0.48 C ATOM 724 CG1 ILE A 57 3.447 -14.427 11.861 1.00 0.60 C ATOM 725 CG2 ILE A 57 1.186 -15.366 11.321 1.00 0.58 C ATOM 726 CD1 ILE A 57 4.304 -15.647 11.607 1.00 0.67 C ATOM 0 H ILE A 57 3.764 -12.679 9.761 1.00 0.35 H new ATOM 0 HA ILE A 57 3.140 -15.385 9.348 1.00 0.40 H new ATOM 0 HB ILE A 57 1.773 -13.327 11.102 1.00 0.48 H new ATOM 0 HG12 ILE A 57 4.061 -13.535 11.736 1.00 0.60 H new ATOM 0 HG13 ILE A 57 3.115 -14.442 12.899 1.00 0.60 H new ATOM 0 HG21 ILE A 57 0.915 -15.261 12.372 1.00 0.58 H new ATOM 0 HG22 ILE A 57 0.298 -15.235 10.703 1.00 0.58 H new ATOM 0 HG23 ILE A 57 1.603 -16.359 11.152 1.00 0.58 H new ATOM 0 HD11 ILE A 57 5.149 -15.647 12.295 1.00 0.67 H new ATOM 0 HD12 ILE A 57 3.710 -16.548 11.762 1.00 0.67 H new ATOM 0 HD13 ILE A 57 4.671 -15.626 10.581 1.00 0.67 H new ATOM 738 N VAL A 58 0.855 -13.186 8.381 1.00 0.35 N ATOM 739 CA VAL A 58 -0.315 -12.994 7.531 1.00 0.42 C ATOM 740 C VAL A 58 0.029 -13.215 6.056 1.00 0.45 C ATOM 741 O VAL A 58 -0.746 -13.809 5.309 1.00 0.55 O ATOM 742 CB VAL A 58 -0.913 -11.581 7.709 1.00 0.43 C ATOM 743 CG1 VAL A 58 -2.139 -11.387 6.826 1.00 0.56 C ATOM 744 CG2 VAL A 58 -1.263 -11.335 9.168 1.00 0.43 C ATOM 0 H VAL A 58 1.220 -12.328 8.794 1.00 0.35 H new ATOM 0 HA VAL A 58 -1.055 -13.733 7.838 1.00 0.42 H new ATOM 0 HB VAL A 58 -0.161 -10.855 7.402 1.00 0.43 H new ATOM 0 HG11 VAL A 58 -2.538 -10.383 6.973 1.00 0.56 H new ATOM 0 HG12 VAL A 58 -1.859 -11.517 5.781 1.00 0.56 H new ATOM 0 HG13 VAL A 58 -2.899 -12.122 7.092 1.00 0.56 H new ATOM 0 HG21 VAL A 58 -1.683 -10.335 9.278 1.00 0.43 H new ATOM 0 HG22 VAL A 58 -1.994 -12.074 9.496 1.00 0.43 H new ATOM 0 HG23 VAL A 58 -0.363 -11.419 9.777 1.00 0.43 H new ATOM 754 N CYS A 59 1.212 -12.753 5.649 1.00 0.41 N ATOM 755 CA CYS A 59 1.637 -12.813 4.249 1.00 0.48 C ATOM 756 C CYS A 59 1.748 -14.250 3.753 1.00 0.55 C ATOM 757 O CYS A 59 1.723 -14.494 2.551 1.00 0.63 O ATOM 758 CB CYS A 59 2.978 -12.107 4.044 1.00 0.52 C ATOM 759 SG CYS A 59 4.426 -13.137 4.381 1.00 0.92 S ATOM 0 H CYS A 59 1.898 -12.330 6.274 1.00 0.41 H new ATOM 0 HA CYS A 59 0.869 -12.300 3.670 1.00 0.48 H new ATOM 0 HB2 CYS A 59 3.033 -11.750 3.016 1.00 0.52 H new ATOM 0 HB3 CYS A 59 3.014 -11.229 4.689 1.00 0.52 H new ATOM 0 HG CYS A 59 4.176 -13.921 5.387 1.00 0.92 H new ATOM 765 N ALA A 60 1.908 -15.189 4.685 1.00 0.54 N ATOM 766 CA ALA A 60 2.121 -16.600 4.357 1.00 0.64 C ATOM 767 C ALA A 60 1.072 -17.153 3.387 1.00 0.70 C ATOM 768 O ALA A 60 1.281 -18.205 2.780 1.00 0.78 O ATOM 769 CB ALA A 60 2.147 -17.431 5.632 1.00 0.67 C ATOM 0 H ALA A 60 1.894 -14.995 5.686 1.00 0.54 H new ATOM 0 HA ALA A 60 3.083 -16.667 3.850 1.00 0.64 H new ATOM 0 HB1 ALA A 60 2.306 -18.479 5.380 1.00 0.67 H new ATOM 0 HB2 ALA A 60 2.957 -17.086 6.275 1.00 0.67 H new ATOM 0 HB3 ALA A 60 1.197 -17.324 6.156 1.00 0.67 H new ATOM 775 N CYS A 61 -0.046 -16.453 3.225 1.00 0.69 N ATOM 776 CA CYS A 61 -1.077 -16.899 2.300 1.00 0.76 C ATOM 777 C CYS A 61 -1.217 -15.933 1.106 1.00 0.71 C ATOM 778 O CYS A 61 -0.943 -16.319 -0.031 1.00 0.79 O ATOM 779 CB CYS A 61 -2.410 -17.091 3.034 1.00 0.81 C ATOM 780 SG CYS A 61 -2.307 -18.216 4.447 1.00 1.41 S ATOM 0 H CYS A 61 -0.258 -15.585 3.717 1.00 0.69 H new ATOM 0 HA CYS A 61 -0.776 -17.865 1.893 1.00 0.76 H new ATOM 0 HB2 CYS A 61 -2.768 -16.121 3.379 1.00 0.81 H new ATOM 0 HB3 CYS A 61 -3.150 -17.472 2.331 1.00 0.81 H new ATOM 0 HG CYS A 61 -3.476 -18.317 5.007 1.00 1.41 H new ATOM 786 N PRO A 62 -1.623 -14.662 1.325 1.00 0.62 N ATOM 787 CA PRO A 62 -1.819 -13.684 0.249 1.00 0.60 C ATOM 788 C PRO A 62 -0.557 -12.877 -0.078 1.00 0.54 C ATOM 789 O PRO A 62 -0.634 -11.764 -0.597 1.00 0.49 O ATOM 790 CB PRO A 62 -2.900 -12.755 0.822 1.00 0.58 C ATOM 791 CG PRO A 62 -3.152 -13.211 2.226 1.00 0.60 C ATOM 792 CD PRO A 62 -1.976 -14.057 2.608 1.00 0.57 C ATOM 0 HA PRO A 62 -2.085 -14.172 -0.689 1.00 0.60 H new ATOM 0 HB2 PRO A 62 -2.568 -11.717 0.805 1.00 0.58 H new ATOM 0 HB3 PRO A 62 -3.812 -12.808 0.227 1.00 0.58 H new ATOM 0 HG2 PRO A 62 -3.254 -12.360 2.899 1.00 0.60 H new ATOM 0 HG3 PRO A 62 -4.079 -13.781 2.290 1.00 0.60 H new ATOM 0 HD2 PRO A 62 -1.160 -13.463 3.020 1.00 0.57 H new ATOM 0 HD3 PRO A 62 -2.235 -14.805 3.357 1.00 0.57 H new ATOM 800 N THR A 63 0.591 -13.454 0.236 1.00 0.58 N ATOM 801 CA THR A 63 1.907 -12.828 0.042 1.00 0.57 C ATOM 802 C THR A 63 2.027 -11.490 0.784 1.00 0.46 C ATOM 803 O THR A 63 1.085 -11.040 1.444 1.00 0.42 O ATOM 804 CB THR A 63 2.289 -12.650 -1.456 1.00 0.66 C ATOM 805 OG1 THR A 63 1.349 -11.819 -2.148 1.00 0.93 O ATOM 806 CG2 THR A 63 2.377 -13.996 -2.156 1.00 0.94 C ATOM 0 H THR A 63 0.645 -14.388 0.641 1.00 0.58 H new ATOM 0 HA THR A 63 2.621 -13.528 0.476 1.00 0.57 H new ATOM 0 HB THR A 63 3.265 -12.164 -1.478 1.00 0.66 H new ATOM 0 HG1 THR A 63 0.715 -11.438 -1.506 1.00 0.93 H new ATOM 0 HG21 THR A 63 2.645 -13.845 -3.202 1.00 0.94 H new ATOM 0 HG22 THR A 63 3.137 -14.609 -1.671 1.00 0.94 H new ATOM 0 HG23 THR A 63 1.412 -14.500 -2.098 1.00 0.94 H new ATOM 814 N GLN A 64 3.199 -10.873 0.708 1.00 0.46 N ATOM 815 CA GLN A 64 3.433 -9.593 1.369 1.00 0.44 C ATOM 816 C GLN A 64 2.481 -8.494 0.887 1.00 0.40 C ATOM 817 O GLN A 64 1.893 -7.793 1.713 1.00 0.38 O ATOM 818 CB GLN A 64 4.881 -9.130 1.193 1.00 0.55 C ATOM 819 CG GLN A 64 5.861 -9.761 2.170 1.00 0.81 C ATOM 820 CD GLN A 64 5.495 -9.493 3.620 1.00 1.45 C ATOM 821 OE1 GLN A 64 4.853 -8.488 3.944 1.00 2.09 O ATOM 822 NE2 GLN A 64 5.915 -10.375 4.509 1.00 2.22 N ATOM 0 H GLN A 64 4.003 -11.237 0.196 1.00 0.46 H new ATOM 0 HA GLN A 64 3.236 -9.764 2.427 1.00 0.44 H new ATOM 0 HB2 GLN A 64 5.202 -9.357 0.176 1.00 0.55 H new ATOM 0 HB3 GLN A 64 4.920 -8.047 1.305 1.00 0.55 H new ATOM 0 HG2 GLN A 64 5.895 -10.837 2.001 1.00 0.81 H new ATOM 0 HG3 GLN A 64 6.862 -9.376 1.975 1.00 0.81 H new ATOM 0 HE21 GLN A 64 6.443 -11.193 4.205 1.00 2.22 H new ATOM 0 HE22 GLN A 64 5.712 -10.238 5.499 1.00 2.22 H new ATOM 831 N PRO A 65 2.321 -8.298 -0.437 1.00 0.41 N ATOM 832 CA PRO A 65 1.483 -7.221 -0.965 1.00 0.40 C ATOM 833 C PRO A 65 0.014 -7.268 -0.509 1.00 0.33 C ATOM 834 O PRO A 65 -0.564 -6.224 -0.236 1.00 0.32 O ATOM 835 CB PRO A 65 1.595 -7.364 -2.480 1.00 0.48 C ATOM 836 CG PRO A 65 2.134 -8.729 -2.720 1.00 0.55 C ATOM 837 CD PRO A 65 2.970 -9.058 -1.523 1.00 0.48 C ATOM 0 HA PRO A 65 1.828 -6.258 -0.589 1.00 0.40 H new ATOM 0 HB2 PRO A 65 0.623 -7.238 -2.957 1.00 0.48 H new ATOM 0 HB3 PRO A 65 2.256 -6.604 -2.897 1.00 0.48 H new ATOM 0 HG2 PRO A 65 1.327 -9.451 -2.843 1.00 0.55 H new ATOM 0 HG3 PRO A 65 2.730 -8.759 -3.632 1.00 0.55 H new ATOM 0 HD2 PRO A 65 2.975 -10.128 -1.318 1.00 0.48 H new ATOM 0 HD3 PRO A 65 4.008 -8.755 -1.662 1.00 0.48 H new ATOM 845 N ASP A 66 -0.616 -8.442 -0.418 1.00 0.31 N ATOM 846 CA ASP A 66 -1.986 -8.472 0.096 1.00 0.29 C ATOM 847 C ASP A 66 -1.972 -8.134 1.580 1.00 0.26 C ATOM 848 O ASP A 66 -2.887 -7.489 2.108 1.00 0.26 O ATOM 849 CB ASP A 66 -2.644 -9.824 -0.121 1.00 0.34 C ATOM 850 CG ASP A 66 -4.050 -9.705 -0.680 1.00 0.68 C ATOM 851 OD1 ASP A 66 -4.985 -9.404 0.097 1.00 1.11 O ATOM 852 OD2 ASP A 66 -4.229 -9.926 -1.897 1.00 1.02 O ATOM 0 H ASP A 66 -0.222 -9.345 -0.680 1.00 0.31 H new ATOM 0 HA ASP A 66 -2.570 -7.733 -0.453 1.00 0.29 H new ATOM 0 HB2 ASP A 66 -2.034 -10.415 -0.804 1.00 0.34 H new ATOM 0 HB3 ASP A 66 -2.678 -10.364 0.825 1.00 0.34 H new ATOM 857 N LYS A 67 -0.907 -8.568 2.252 1.00 0.28 N ATOM 858 CA LYS A 67 -0.698 -8.216 3.645 1.00 0.29 C ATOM 859 C LYS A 67 -0.660 -6.696 3.768 1.00 0.29 C ATOM 860 O LYS A 67 -1.273 -6.138 4.676 1.00 0.33 O ATOM 861 CB LYS A 67 0.607 -8.853 4.195 1.00 0.35 C ATOM 862 CG LYS A 67 0.851 -8.671 5.710 1.00 0.64 C ATOM 863 CD LYS A 67 0.915 -7.211 6.164 1.00 0.79 C ATOM 864 CE LYS A 67 2.218 -6.496 5.800 1.00 1.13 C ATOM 865 NZ LYS A 67 2.734 -6.832 4.440 1.00 1.28 N ATOM 0 H LYS A 67 -0.181 -9.162 1.851 1.00 0.28 H new ATOM 0 HA LYS A 67 -1.521 -8.608 4.243 1.00 0.29 H new ATOM 0 HB2 LYS A 67 0.591 -9.920 3.973 1.00 0.35 H new ATOM 0 HB3 LYS A 67 1.453 -8.428 3.655 1.00 0.35 H new ATOM 0 HG2 LYS A 67 0.055 -9.176 6.258 1.00 0.64 H new ATOM 0 HG3 LYS A 67 1.785 -9.164 5.978 1.00 0.64 H new ATOM 0 HD2 LYS A 67 0.080 -6.668 5.721 1.00 0.79 H new ATOM 0 HD3 LYS A 67 0.783 -7.173 7.245 1.00 0.79 H new ATOM 0 HE2 LYS A 67 2.059 -5.419 5.862 1.00 1.13 H new ATOM 0 HE3 LYS A 67 2.978 -6.749 6.539 1.00 1.13 H new ATOM 0 HZ1 LYS A 67 3.300 -6.039 4.078 1.00 1.28 H new ATOM 0 HZ2 LYS A 67 3.327 -7.684 4.495 1.00 1.28 H new ATOM 0 HZ3 LYS A 67 1.934 -7.007 3.799 1.00 1.28 H new ATOM 879 N VAL A 68 0.050 -6.016 2.854 1.00 0.27 N ATOM 880 CA VAL A 68 0.171 -4.563 2.955 1.00 0.29 C ATOM 881 C VAL A 68 -1.210 -3.946 2.955 1.00 0.26 C ATOM 882 O VAL A 68 -1.472 -3.036 3.721 1.00 0.28 O ATOM 883 CB VAL A 68 1.052 -3.887 1.865 1.00 0.37 C ATOM 884 CG1 VAL A 68 2.315 -4.686 1.601 1.00 0.47 C ATOM 885 CG2 VAL A 68 0.300 -3.626 0.568 1.00 0.47 C ATOM 0 H VAL A 68 0.534 -6.438 2.061 1.00 0.27 H new ATOM 0 HA VAL A 68 0.695 -4.378 3.893 1.00 0.29 H new ATOM 0 HB VAL A 68 1.333 -2.914 2.267 1.00 0.37 H new ATOM 0 HG11 VAL A 68 2.908 -4.187 0.835 1.00 0.47 H new ATOM 0 HG12 VAL A 68 2.897 -4.760 2.519 1.00 0.47 H new ATOM 0 HG13 VAL A 68 2.048 -5.686 1.259 1.00 0.47 H new ATOM 0 HG21 VAL A 68 0.969 -3.153 -0.152 1.00 0.47 H new ATOM 0 HG22 VAL A 68 -0.062 -4.570 0.161 1.00 0.47 H new ATOM 0 HG23 VAL A 68 -0.546 -2.967 0.764 1.00 0.47 H new ATOM 895 N ARG A 69 -2.107 -4.503 2.147 1.00 0.24 N ATOM 896 CA ARG A 69 -3.477 -4.024 2.093 1.00 0.31 C ATOM 897 C ARG A 69 -4.064 -3.964 3.494 1.00 0.25 C ATOM 898 O ARG A 69 -4.709 -2.989 3.852 1.00 0.25 O ATOM 899 CB ARG A 69 -4.326 -4.939 1.200 1.00 0.47 C ATOM 900 CG ARG A 69 -5.814 -4.947 1.539 1.00 0.63 C ATOM 901 CD ARG A 69 -6.489 -3.619 1.225 1.00 0.92 C ATOM 902 NE ARG A 69 -7.848 -3.536 1.777 1.00 1.48 N ATOM 903 CZ ARG A 69 -8.874 -4.320 1.427 1.00 1.89 C ATOM 904 NH1 ARG A 69 -8.701 -5.339 0.596 1.00 2.21 N ATOM 905 NH2 ARG A 69 -10.077 -4.101 1.941 1.00 2.61 N ATOM 0 H ARG A 69 -1.907 -5.285 1.523 1.00 0.24 H new ATOM 0 HA ARG A 69 -3.482 -3.021 1.667 1.00 0.31 H new ATOM 0 HB2 ARG A 69 -4.204 -4.629 0.162 1.00 0.47 H new ATOM 0 HB3 ARG A 69 -3.943 -5.957 1.275 1.00 0.47 H new ATOM 0 HG2 ARG A 69 -6.307 -5.743 0.980 1.00 0.63 H new ATOM 0 HG3 ARG A 69 -5.941 -5.175 2.597 1.00 0.63 H new ATOM 0 HD2 ARG A 69 -5.886 -2.804 1.627 1.00 0.92 H new ATOM 0 HD3 ARG A 69 -6.530 -3.482 0.144 1.00 0.92 H new ATOM 0 HE ARG A 69 -8.024 -2.823 2.485 1.00 1.48 H new ATOM 0 HH11 ARG A 69 -7.776 -5.534 0.214 1.00 2.21 H new ATOM 0 HH12 ARG A 69 -9.493 -5.928 0.339 1.00 2.21 H new ATOM 0 HH21 ARG A 69 -10.218 -3.336 2.601 1.00 2.61 H new ATOM 0 HH22 ARG A 69 -10.861 -4.697 1.676 1.00 2.61 H new ATOM 919 N LYS A 70 -3.797 -4.987 4.288 1.00 0.24 N ATOM 920 CA LYS A 70 -4.302 -5.031 5.652 1.00 0.26 C ATOM 921 C LYS A 70 -3.693 -3.924 6.522 1.00 0.23 C ATOM 922 O LYS A 70 -4.409 -3.268 7.275 1.00 0.27 O ATOM 923 CB LYS A 70 -4.071 -6.421 6.262 1.00 0.31 C ATOM 924 CG LYS A 70 -3.750 -6.414 7.749 1.00 0.31 C ATOM 925 CD LYS A 70 -2.256 -6.558 7.957 1.00 0.31 C ATOM 926 CE LYS A 70 -1.844 -6.509 9.425 1.00 0.38 C ATOM 927 NZ LYS A 70 -2.340 -7.667 10.213 1.00 0.75 N ATOM 0 H LYS A 70 -3.237 -5.794 4.015 1.00 0.24 H new ATOM 0 HA LYS A 70 -5.376 -4.847 5.620 1.00 0.26 H new ATOM 0 HB2 LYS A 70 -4.962 -7.028 6.099 1.00 0.31 H new ATOM 0 HB3 LYS A 70 -3.253 -6.906 5.729 1.00 0.31 H new ATOM 0 HG2 LYS A 70 -4.101 -5.486 8.201 1.00 0.31 H new ATOM 0 HG3 LYS A 70 -4.275 -7.229 8.247 1.00 0.31 H new ATOM 0 HD2 LYS A 70 -1.925 -7.503 7.525 1.00 0.31 H new ATOM 0 HD3 LYS A 70 -1.742 -5.763 7.416 1.00 0.31 H new ATOM 0 HE2 LYS A 70 -0.756 -6.474 9.489 1.00 0.38 H new ATOM 0 HE3 LYS A 70 -2.220 -5.588 9.870 1.00 0.38 H new ATOM 0 HZ1 LYS A 70 -1.658 -7.892 10.965 1.00 0.75 H new ATOM 0 HZ2 LYS A 70 -3.259 -7.430 10.638 1.00 0.75 H new ATOM 0 HZ3 LYS A 70 -2.450 -8.491 9.588 1.00 0.75 H new ATOM 941 N ILE A 71 -2.385 -3.691 6.401 1.00 0.21 N ATOM 942 CA ILE A 71 -1.716 -2.762 7.308 1.00 0.21 C ATOM 943 C ILE A 71 -2.163 -1.313 7.081 1.00 0.18 C ATOM 944 O ILE A 71 -2.539 -0.629 8.036 1.00 0.20 O ATOM 945 CB ILE A 71 -0.170 -2.873 7.264 1.00 0.28 C ATOM 946 CG1 ILE A 71 0.388 -2.597 5.871 1.00 0.43 C ATOM 947 CG2 ILE A 71 0.278 -4.246 7.744 1.00 0.50 C ATOM 948 CD1 ILE A 71 1.884 -2.795 5.769 1.00 0.57 C ATOM 0 H ILE A 71 -1.781 -4.122 5.701 1.00 0.21 H new ATOM 0 HA ILE A 71 -2.027 -3.060 8.309 1.00 0.21 H new ATOM 0 HB ILE A 71 0.226 -2.109 7.933 1.00 0.28 H new ATOM 0 HG12 ILE A 71 -0.107 -3.252 5.154 1.00 0.43 H new ATOM 0 HG13 ILE A 71 0.145 -1.573 5.588 1.00 0.43 H new ATOM 0 HG21 ILE A 71 1.366 -4.307 7.707 1.00 0.50 H new ATOM 0 HG22 ILE A 71 -0.059 -4.401 8.769 1.00 0.50 H new ATOM 0 HG23 ILE A 71 -0.151 -5.014 7.101 1.00 0.50 H new ATOM 0 HD11 ILE A 71 2.211 -2.581 4.751 1.00 0.57 H new ATOM 0 HD12 ILE A 71 2.388 -2.121 6.461 1.00 0.57 H new ATOM 0 HD13 ILE A 71 2.133 -3.826 6.021 1.00 0.57 H new ATOM 960 N LEU A 72 -2.142 -0.832 5.834 1.00 0.19 N ATOM 961 CA LEU A 72 -2.644 0.515 5.563 1.00 0.24 C ATOM 962 C LEU A 72 -4.157 0.586 5.728 1.00 0.25 C ATOM 963 O LEU A 72 -4.703 1.644 6.033 1.00 0.29 O ATOM 964 CB LEU A 72 -2.207 1.162 4.225 1.00 0.39 C ATOM 965 CG LEU A 72 -1.697 0.311 3.056 1.00 0.31 C ATOM 966 CD1 LEU A 72 -0.347 -0.325 3.354 1.00 0.53 C ATOM 967 CD2 LEU A 72 -2.731 -0.717 2.617 1.00 0.88 C ATOM 0 H LEU A 72 -1.794 -1.338 5.020 1.00 0.19 H new ATOM 0 HA LEU A 72 -2.154 1.124 6.323 1.00 0.24 H new ATOM 0 HB2 LEU A 72 -3.059 1.732 3.855 1.00 0.39 H new ATOM 0 HB3 LEU A 72 -1.422 1.880 4.461 1.00 0.39 H new ATOM 0 HG LEU A 72 -1.541 0.986 2.215 1.00 0.31 H new ATOM 0 HD11 LEU A 72 -0.027 -0.918 2.497 1.00 0.53 H new ATOM 0 HD12 LEU A 72 0.388 0.456 3.550 1.00 0.53 H new ATOM 0 HD13 LEU A 72 -0.434 -0.969 4.229 1.00 0.53 H new ATOM 0 HD21 LEU A 72 -2.334 -1.301 1.787 1.00 0.88 H new ATOM 0 HD22 LEU A 72 -2.961 -1.381 3.450 1.00 0.88 H new ATOM 0 HD23 LEU A 72 -3.640 -0.206 2.299 1.00 0.88 H new ATOM 979 N ASP A 73 -4.837 -0.527 5.513 1.00 0.26 N ATOM 980 CA ASP A 73 -6.291 -0.564 5.676 1.00 0.31 C ATOM 981 C ASP A 73 -6.662 -0.119 7.082 1.00 0.30 C ATOM 982 O ASP A 73 -7.581 0.675 7.277 1.00 0.34 O ATOM 983 CB ASP A 73 -6.840 -1.977 5.469 1.00 0.37 C ATOM 984 CG ASP A 73 -8.248 -1.970 4.909 1.00 0.58 C ATOM 985 OD1 ASP A 73 -8.406 -1.779 3.682 1.00 0.67 O ATOM 986 OD2 ASP A 73 -9.208 -2.155 5.684 1.00 1.16 O ATOM 0 H ASP A 73 -4.417 -1.412 5.228 1.00 0.26 H new ATOM 0 HA ASP A 73 -6.721 0.103 4.929 1.00 0.31 H new ATOM 0 HB2 ASP A 73 -6.184 -2.524 4.791 1.00 0.37 H new ATOM 0 HB3 ASP A 73 -6.832 -2.511 6.419 1.00 0.37 H new ATOM 991 N LEU A 74 -5.929 -0.639 8.057 1.00 0.28 N ATOM 992 CA LEU A 74 -6.170 -0.322 9.455 1.00 0.28 C ATOM 993 C LEU A 74 -5.677 1.082 9.800 1.00 0.27 C ATOM 994 O LEU A 74 -6.247 1.758 10.660 1.00 0.31 O ATOM 995 CB LEU A 74 -5.494 -1.368 10.335 1.00 0.30 C ATOM 996 CG LEU A 74 -6.083 -2.772 10.197 1.00 0.37 C ATOM 997 CD1 LEU A 74 -4.986 -3.819 10.245 1.00 0.72 C ATOM 998 CD2 LEU A 74 -7.113 -3.029 11.285 1.00 0.85 C ATOM 0 H LEU A 74 -5.157 -1.287 7.902 1.00 0.28 H new ATOM 0 HA LEU A 74 -7.244 -0.339 9.638 1.00 0.28 H new ATOM 0 HB2 LEU A 74 -4.433 -1.405 10.088 1.00 0.30 H new ATOM 0 HB3 LEU A 74 -5.568 -1.055 11.376 1.00 0.30 H new ATOM 0 HG LEU A 74 -6.580 -2.840 9.230 1.00 0.37 H new ATOM 0 HD11 LEU A 74 -5.426 -4.811 10.145 1.00 0.72 H new ATOM 0 HD12 LEU A 74 -4.285 -3.649 9.428 1.00 0.72 H new ATOM 0 HD13 LEU A 74 -4.458 -3.750 11.196 1.00 0.72 H new ATOM 0 HD21 LEU A 74 -7.521 -4.033 11.170 1.00 0.85 H new ATOM 0 HD22 LEU A 74 -6.640 -2.939 12.263 1.00 0.85 H new ATOM 0 HD23 LEU A 74 -7.918 -2.299 11.204 1.00 0.85 H new ATOM 1010 N VAL A 75 -4.610 1.516 9.136 1.00 0.24 N ATOM 1011 CA VAL A 75 -4.040 2.833 9.390 1.00 0.24 C ATOM 1012 C VAL A 75 -4.951 3.945 8.858 1.00 0.27 C ATOM 1013 O VAL A 75 -5.086 4.993 9.488 1.00 0.30 O ATOM 1014 CB VAL A 75 -2.626 2.985 8.778 1.00 0.23 C ATOM 1015 CG1 VAL A 75 -2.687 3.339 7.308 1.00 0.28 C ATOM 1016 CG2 VAL A 75 -1.836 4.025 9.545 1.00 0.23 C ATOM 0 H VAL A 75 -4.124 0.976 8.420 1.00 0.24 H new ATOM 0 HA VAL A 75 -3.955 2.928 10.473 1.00 0.24 H new ATOM 0 HB VAL A 75 -2.121 2.023 8.860 1.00 0.23 H new ATOM 0 HG11 VAL A 75 -1.675 3.437 6.915 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -3.212 2.553 6.766 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -3.218 4.283 7.183 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -0.843 4.124 9.106 1.00 0.23 H new ATOM 0 HG22 VAL A 75 -2.352 4.984 9.495 1.00 0.23 H new ATOM 0 HG23 VAL A 75 -1.744 3.717 10.586 1.00 0.23 H new ATOM 1026 N GLN A 76 -5.557 3.696 7.690 1.00 0.31 N ATOM 1027 CA GLN A 76 -6.427 4.655 6.997 1.00 0.37 C ATOM 1028 C GLN A 76 -5.659 5.874 6.466 1.00 0.48 C ATOM 1029 O GLN A 76 -5.866 6.288 5.329 1.00 0.94 O ATOM 1030 CB GLN A 76 -7.591 5.099 7.890 1.00 0.40 C ATOM 1031 CG GLN A 76 -8.553 3.972 8.228 1.00 0.94 C ATOM 1032 CD GLN A 76 -9.773 4.443 8.998 1.00 1.07 C ATOM 1033 OE1 GLN A 76 -10.196 5.673 8.749 1.00 1.63 O flip ATOM 1034 NE2 GLN A 76 -10.333 3.707 9.806 1.00 1.56 N flip ATOM 0 H GLN A 76 -5.455 2.811 7.193 1.00 0.31 H new ATOM 0 HA GLN A 76 -6.833 4.130 6.133 1.00 0.37 H new ATOM 0 HB2 GLN A 76 -7.192 5.516 8.815 1.00 0.40 H new ATOM 0 HB3 GLN A 76 -8.139 5.898 7.390 1.00 0.40 H new ATOM 0 HG2 GLN A 76 -8.877 3.489 7.306 1.00 0.94 H new ATOM 0 HG3 GLN A 76 -8.029 3.218 8.815 1.00 0.94 H new ATOM 0 HE21 GLN A 76 -9.977 2.765 9.970 1.00 1.56 H new ATOM 0 HE22 GLN A 76 -11.154 4.037 10.313 1.00 1.56 H new ATOM 1043 N SER A 77 -4.773 6.436 7.281 1.00 0.40 N ATOM 1044 CA SER A 77 -4.053 7.647 6.911 1.00 0.50 C ATOM 1045 C SER A 77 -2.559 7.388 6.656 1.00 0.42 C ATOM 1046 O SER A 77 -2.134 7.271 5.504 1.00 0.39 O ATOM 1047 CB SER A 77 -4.231 8.691 8.015 1.00 0.66 C ATOM 1048 OG SER A 77 -3.914 8.139 9.288 1.00 1.44 O ATOM 0 H SER A 77 -4.537 6.071 8.204 1.00 0.40 H new ATOM 0 HA SER A 77 -4.471 8.014 5.974 1.00 0.50 H new ATOM 0 HB2 SER A 77 -3.590 9.550 7.816 1.00 0.66 H new ATOM 0 HB3 SER A 77 -5.259 9.054 8.017 1.00 0.66 H new ATOM 0 HG SER A 77 -4.033 8.823 9.980 1.00 1.44 H new ATOM 1054 N LYS A 78 -1.782 7.275 7.740 1.00 0.43 N ATOM 1055 CA LYS A 78 -0.318 7.198 7.663 1.00 0.42 C ATOM 1056 C LYS A 78 0.142 6.127 6.688 1.00 0.45 C ATOM 1057 O LYS A 78 0.679 6.447 5.638 1.00 0.95 O ATOM 1058 CB LYS A 78 0.286 6.918 9.050 1.00 0.44 C ATOM 1059 CG LYS A 78 -0.043 7.961 10.117 1.00 0.59 C ATOM 1060 CD LYS A 78 0.569 9.330 9.827 1.00 0.73 C ATOM 1061 CE LYS A 78 -0.239 10.116 8.806 1.00 1.17 C ATOM 1062 NZ LYS A 78 0.250 11.512 8.653 1.00 1.13 N ATOM 0 H LYS A 78 -2.148 7.235 8.691 1.00 0.43 H new ATOM 0 HA LYS A 78 0.032 8.165 7.301 1.00 0.42 H new ATOM 0 HB2 LYS A 78 -0.065 5.945 9.393 1.00 0.44 H new ATOM 0 HB3 LYS A 78 1.369 6.849 8.951 1.00 0.44 H new ATOM 0 HG2 LYS A 78 -1.125 8.063 10.195 1.00 0.59 H new ATOM 0 HG3 LYS A 78 0.314 7.608 11.084 1.00 0.59 H new ATOM 0 HD2 LYS A 78 0.634 9.901 10.753 1.00 0.73 H new ATOM 0 HD3 LYS A 78 1.587 9.201 9.460 1.00 0.73 H new ATOM 0 HE2 LYS A 78 -0.193 9.610 7.842 1.00 1.17 H new ATOM 0 HE3 LYS A 78 -1.286 10.131 9.108 1.00 1.17 H new ATOM 0 HZ1 LYS A 78 0.161 11.804 7.659 1.00 1.13 H new ATOM 0 HZ2 LYS A 78 -0.317 12.146 9.252 1.00 1.13 H new ATOM 0 HZ3 LYS A 78 1.248 11.564 8.941 1.00 1.13 H new ATOM 1076 N GLY A 79 -0.076 4.870 7.055 1.00 0.34 N ATOM 1077 CA GLY A 79 0.320 3.747 6.222 1.00 0.30 C ATOM 1078 C GLY A 79 -0.012 3.949 4.767 1.00 0.30 C ATOM 1079 O GLY A 79 0.871 3.853 3.930 1.00 0.33 O ATOM 0 H GLY A 79 -0.528 4.604 7.930 1.00 0.34 H new ATOM 0 HA2 GLY A 79 1.393 3.585 6.325 1.00 0.30 H new ATOM 0 HA3 GLY A 79 -0.174 2.844 6.580 1.00 0.30 H new ATOM 1083 N GLU A 80 -1.272 4.252 4.465 1.00 0.30 N ATOM 1084 CA GLU A 80 -1.691 4.418 3.073 1.00 0.32 C ATOM 1085 C GLU A 80 -0.804 5.425 2.351 1.00 0.32 C ATOM 1086 O GLU A 80 -0.241 5.120 1.303 1.00 0.34 O ATOM 1087 CB GLU A 80 -3.149 4.881 2.972 1.00 0.34 C ATOM 1088 CG GLU A 80 -3.622 4.999 1.527 1.00 0.42 C ATOM 1089 CD GLU A 80 -5.052 5.487 1.379 1.00 0.52 C ATOM 1090 OE1 GLU A 80 -5.294 6.700 1.565 1.00 1.18 O ATOM 1091 OE2 GLU A 80 -5.941 4.651 1.128 1.00 0.50 O ATOM 0 H GLU A 80 -2.013 4.386 5.153 1.00 0.30 H new ATOM 0 HA GLU A 80 -1.596 3.441 2.599 1.00 0.32 H new ATOM 0 HB2 GLU A 80 -3.789 4.177 3.505 1.00 0.34 H new ATOM 0 HB3 GLU A 80 -3.256 5.846 3.467 1.00 0.34 H new ATOM 0 HG2 GLU A 80 -2.960 5.682 0.994 1.00 0.42 H new ATOM 0 HG3 GLU A 80 -3.530 4.025 1.046 1.00 0.42 H new ATOM 1098 N GLU A 81 -0.627 6.596 2.956 1.00 0.32 N ATOM 1099 CA GLU A 81 0.085 7.679 2.298 1.00 0.35 C ATOM 1100 C GLU A 81 1.586 7.407 2.259 1.00 0.35 C ATOM 1101 O GLU A 81 2.237 7.613 1.236 1.00 0.38 O ATOM 1102 CB GLU A 81 -0.203 9.021 2.998 1.00 0.40 C ATOM 1103 CG GLU A 81 0.508 9.226 4.326 1.00 0.86 C ATOM 1104 CD GLU A 81 0.208 10.576 4.940 1.00 0.80 C ATOM 1105 OE1 GLU A 81 0.765 11.588 4.466 1.00 1.15 O ATOM 1106 OE2 GLU A 81 -0.575 10.636 5.904 1.00 1.09 O ATOM 0 H GLU A 81 -0.965 6.815 3.893 1.00 0.32 H new ATOM 0 HA GLU A 81 -0.273 7.740 1.270 1.00 0.35 H new ATOM 0 HB2 GLU A 81 0.078 9.831 2.325 1.00 0.40 H new ATOM 0 HB3 GLU A 81 -1.277 9.103 3.163 1.00 0.40 H new ATOM 0 HG2 GLU A 81 0.209 8.440 5.020 1.00 0.86 H new ATOM 0 HG3 GLU A 81 1.583 9.128 4.178 1.00 0.86 H new ATOM 1113 N VAL A 82 2.126 6.942 3.374 1.00 0.33 N ATOM 1114 CA VAL A 82 3.557 6.738 3.495 1.00 0.35 C ATOM 1115 C VAL A 82 4.038 5.524 2.705 1.00 0.35 C ATOM 1116 O VAL A 82 5.113 5.559 2.107 1.00 0.38 O ATOM 1117 CB VAL A 82 3.995 6.633 4.969 1.00 0.38 C ATOM 1118 CG1 VAL A 82 3.562 7.876 5.732 1.00 0.42 C ATOM 1119 CG2 VAL A 82 3.458 5.371 5.629 1.00 0.46 C ATOM 0 H VAL A 82 1.592 6.699 4.209 1.00 0.33 H new ATOM 0 HA VAL A 82 4.029 7.620 3.062 1.00 0.35 H new ATOM 0 HB VAL A 82 5.083 6.567 4.994 1.00 0.38 H new ATOM 0 HG11 VAL A 82 3.876 7.792 6.772 1.00 0.42 H new ATOM 0 HG12 VAL A 82 4.022 8.757 5.284 1.00 0.42 H new ATOM 0 HG13 VAL A 82 2.477 7.971 5.687 1.00 0.42 H new ATOM 0 HG21 VAL A 82 3.789 5.334 6.667 1.00 0.46 H new ATOM 0 HG22 VAL A 82 2.369 5.378 5.595 1.00 0.46 H new ATOM 0 HG23 VAL A 82 3.832 4.495 5.098 1.00 0.46 H new ATOM 1129 N SER A 83 3.238 4.461 2.687 1.00 0.34 N ATOM 1130 CA SER A 83 3.639 3.227 2.031 1.00 0.36 C ATOM 1131 C SER A 83 3.713 3.421 0.525 1.00 0.33 C ATOM 1132 O SER A 83 4.688 3.016 -0.116 1.00 0.32 O ATOM 1133 CB SER A 83 2.661 2.098 2.369 1.00 0.42 C ATOM 1134 OG SER A 83 1.359 2.372 1.883 1.00 1.28 O ATOM 0 H SER A 83 2.314 4.432 3.118 1.00 0.34 H new ATOM 0 HA SER A 83 4.629 2.953 2.396 1.00 0.36 H new ATOM 0 HB2 SER A 83 3.021 1.163 1.939 1.00 0.42 H new ATOM 0 HB3 SER A 83 2.625 1.959 3.449 1.00 0.42 H new ATOM 0 HG SER A 83 0.801 2.711 2.614 1.00 1.28 H new ATOM 1140 N GLU A 84 2.685 4.054 -0.033 1.00 0.32 N ATOM 1141 CA GLU A 84 2.650 4.324 -1.457 1.00 0.33 C ATOM 1142 C GLU A 84 3.745 5.318 -1.823 1.00 0.30 C ATOM 1143 O GLU A 84 4.447 5.141 -2.809 1.00 0.36 O ATOM 1144 CB GLU A 84 1.266 4.840 -1.892 1.00 0.37 C ATOM 1145 CG GLU A 84 0.898 6.206 -1.329 1.00 0.34 C ATOM 1146 CD GLU A 84 -0.497 6.653 -1.717 1.00 0.51 C ATOM 1147 OE1 GLU A 84 -0.862 6.524 -2.901 1.00 0.79 O ATOM 1148 OE2 GLU A 84 -1.233 7.162 -0.844 1.00 0.72 O ATOM 0 H GLU A 84 1.870 4.387 0.482 1.00 0.32 H new ATOM 0 HA GLU A 84 2.831 3.392 -1.992 1.00 0.33 H new ATOM 0 HB2 GLU A 84 1.236 4.889 -2.980 1.00 0.37 H new ATOM 0 HB3 GLU A 84 0.510 4.118 -1.584 1.00 0.37 H new ATOM 0 HG2 GLU A 84 0.975 6.177 -0.242 1.00 0.34 H new ATOM 0 HG3 GLU A 84 1.620 6.943 -1.680 1.00 0.34 H new ATOM 1155 N PHE A 85 3.918 6.336 -0.993 1.00 0.26 N ATOM 1156 CA PHE A 85 4.909 7.363 -1.251 1.00 0.25 C ATOM 1157 C PHE A 85 6.324 6.789 -1.224 1.00 0.23 C ATOM 1158 O PHE A 85 7.115 7.058 -2.121 1.00 0.24 O ATOM 1159 CB PHE A 85 4.776 8.491 -0.225 1.00 0.28 C ATOM 1160 CG PHE A 85 5.798 9.579 -0.385 1.00 0.36 C ATOM 1161 CD1 PHE A 85 5.810 10.377 -1.518 1.00 0.46 C ATOM 1162 CD2 PHE A 85 6.746 9.801 0.598 1.00 0.44 C ATOM 1163 CE1 PHE A 85 6.749 11.378 -1.665 1.00 0.57 C ATOM 1164 CE2 PHE A 85 7.687 10.801 0.457 1.00 0.54 C ATOM 1165 CZ PHE A 85 7.684 11.594 -0.686 1.00 0.59 C ATOM 0 H PHE A 85 3.383 6.470 -0.135 1.00 0.26 H new ATOM 0 HA PHE A 85 4.729 7.763 -2.249 1.00 0.25 H new ATOM 0 HB2 PHE A 85 3.780 8.926 -0.305 1.00 0.28 H new ATOM 0 HB3 PHE A 85 4.861 8.070 0.777 1.00 0.28 H new ATOM 0 HD1 PHE A 85 5.077 10.214 -2.294 1.00 0.46 H new ATOM 0 HD2 PHE A 85 6.750 9.185 1.485 1.00 0.44 H new ATOM 0 HE1 PHE A 85 6.747 11.992 -2.553 1.00 0.57 H new ATOM 0 HE2 PHE A 85 8.422 10.967 1.230 1.00 0.54 H new ATOM 0 HZ PHE A 85 8.417 12.379 -0.802 1.00 0.59 H new ATOM 1175 N PHE A 86 6.633 5.983 -0.210 1.00 0.23 N ATOM 1176 CA PHE A 86 7.987 5.483 -0.018 1.00 0.27 C ATOM 1177 C PHE A 86 8.421 4.567 -1.157 1.00 0.29 C ATOM 1178 O PHE A 86 9.488 4.756 -1.737 1.00 0.33 O ATOM 1179 CB PHE A 86 8.082 4.714 1.292 1.00 0.30 C ATOM 1180 CG PHE A 86 9.460 4.702 1.882 1.00 0.61 C ATOM 1181 CD1 PHE A 86 10.053 5.876 2.321 1.00 1.18 C ATOM 1182 CD2 PHE A 86 10.164 3.519 1.989 1.00 1.04 C ATOM 1183 CE1 PHE A 86 11.325 5.865 2.860 1.00 1.58 C ATOM 1184 CE2 PHE A 86 11.433 3.501 2.524 1.00 1.45 C ATOM 1185 CZ PHE A 86 12.017 4.673 2.960 1.00 1.58 C ATOM 0 H PHE A 86 5.962 5.664 0.489 1.00 0.23 H new ATOM 0 HA PHE A 86 8.649 6.349 0.003 1.00 0.27 H new ATOM 0 HB2 PHE A 86 7.391 5.153 2.012 1.00 0.30 H new ATOM 0 HB3 PHE A 86 7.758 3.687 1.125 1.00 0.30 H new ATOM 0 HD1 PHE A 86 9.515 6.809 2.241 1.00 1.18 H new ATOM 0 HD2 PHE A 86 9.715 2.598 1.649 1.00 1.04 H new ATOM 0 HE1 PHE A 86 11.777 6.784 3.202 1.00 1.58 H new ATOM 0 HE2 PHE A 86 11.972 2.568 2.602 1.00 1.45 H new ATOM 0 HZ PHE A 86 13.013 4.659 3.378 1.00 1.58 H new ATOM 1195 N LEU A 87 7.603 3.569 -1.479 1.00 0.31 N ATOM 1196 CA LEU A 87 7.974 2.638 -2.535 1.00 0.36 C ATOM 1197 C LEU A 87 7.970 3.342 -3.891 1.00 0.35 C ATOM 1198 O LEU A 87 8.797 3.049 -4.746 1.00 0.39 O ATOM 1199 CB LEU A 87 7.082 1.377 -2.556 1.00 0.40 C ATOM 1200 CG LEU A 87 5.976 1.352 -3.619 1.00 0.60 C ATOM 1201 CD1 LEU A 87 5.661 -0.080 -4.022 1.00 0.93 C ATOM 1202 CD2 LEU A 87 4.720 2.032 -3.106 1.00 0.83 C ATOM 0 H LEU A 87 6.702 3.388 -1.036 1.00 0.31 H new ATOM 0 HA LEU A 87 8.986 2.294 -2.322 1.00 0.36 H new ATOM 0 HB2 LEU A 87 7.721 0.507 -2.705 1.00 0.40 H new ATOM 0 HB3 LEU A 87 6.618 1.268 -1.576 1.00 0.40 H new ATOM 0 HG LEU A 87 6.334 1.897 -4.493 1.00 0.60 H new ATOM 0 HD11 LEU A 87 4.875 -0.081 -4.777 1.00 0.93 H new ATOM 0 HD12 LEU A 87 6.556 -0.548 -4.430 1.00 0.93 H new ATOM 0 HD13 LEU A 87 5.326 -0.639 -3.148 1.00 0.93 H new ATOM 0 HD21 LEU A 87 3.950 2.002 -3.876 1.00 0.83 H new ATOM 0 HD22 LEU A 87 4.363 1.514 -2.216 1.00 0.83 H new ATOM 0 HD23 LEU A 87 4.944 3.069 -2.857 1.00 0.83 H new ATOM 1214 N TYR A 88 7.033 4.269 -4.082 1.00 0.34 N ATOM 1215 CA TYR A 88 6.919 5.005 -5.340 1.00 0.37 C ATOM 1216 C TYR A 88 8.014 6.045 -5.512 1.00 0.40 C ATOM 1217 O TYR A 88 8.439 6.284 -6.629 1.00 0.44 O ATOM 1218 CB TYR A 88 5.550 5.664 -5.497 1.00 0.45 C ATOM 1219 CG TYR A 88 4.432 4.692 -5.789 1.00 0.51 C ATOM 1220 CD1 TYR A 88 4.702 3.393 -6.202 1.00 0.53 C ATOM 1221 CD2 TYR A 88 3.106 5.077 -5.653 1.00 0.69 C ATOM 1222 CE1 TYR A 88 3.681 2.504 -6.468 1.00 0.65 C ATOM 1223 CE2 TYR A 88 2.079 4.194 -5.915 1.00 0.79 C ATOM 1224 CZ TYR A 88 2.371 2.912 -6.323 1.00 0.74 C ATOM 1225 OH TYR A 88 1.350 2.036 -6.587 1.00 0.89 O ATOM 0 H TYR A 88 6.340 4.529 -3.380 1.00 0.34 H new ATOM 0 HA TYR A 88 7.038 4.259 -6.126 1.00 0.37 H new ATOM 0 HB2 TYR A 88 5.314 6.210 -4.584 1.00 0.45 H new ATOM 0 HB3 TYR A 88 5.601 6.397 -6.302 1.00 0.45 H new ATOM 0 HD1 TYR A 88 5.727 3.074 -6.317 1.00 0.53 H new ATOM 0 HD2 TYR A 88 2.874 6.083 -5.337 1.00 0.69 H new ATOM 0 HE1 TYR A 88 3.905 1.497 -6.787 1.00 0.65 H new ATOM 0 HE2 TYR A 88 1.052 4.507 -5.801 1.00 0.79 H new ATOM 0 HH TYR A 88 0.719 2.034 -5.837 1.00 0.89 H new ATOM 1235 N LEU A 89 8.442 6.706 -4.443 1.00 0.41 N ATOM 1236 CA LEU A 89 9.548 7.654 -4.575 1.00 0.50 C ATOM 1237 C LEU A 89 10.767 6.909 -5.101 1.00 0.47 C ATOM 1238 O LEU A 89 11.540 7.427 -5.908 1.00 0.48 O ATOM 1239 CB LEU A 89 9.838 8.405 -3.253 1.00 0.66 C ATOM 1240 CG LEU A 89 10.391 7.586 -2.078 1.00 0.70 C ATOM 1241 CD1 LEU A 89 11.901 7.427 -2.175 1.00 1.41 C ATOM 1242 CD2 LEU A 89 10.020 8.246 -0.761 1.00 1.23 C ATOM 0 H LEU A 89 8.057 6.611 -3.503 1.00 0.41 H new ATOM 0 HA LEU A 89 9.272 8.431 -5.288 1.00 0.50 H new ATOM 0 HB2 LEU A 89 10.547 9.204 -3.469 1.00 0.66 H new ATOM 0 HB3 LEU A 89 8.913 8.880 -2.926 1.00 0.66 H new ATOM 0 HG LEU A 89 9.944 6.593 -2.122 1.00 0.70 H new ATOM 0 HD11 LEU A 89 12.260 6.842 -1.328 1.00 1.41 H new ATOM 0 HD12 LEU A 89 12.154 6.915 -3.103 1.00 1.41 H new ATOM 0 HD13 LEU A 89 12.372 8.410 -2.163 1.00 1.41 H new ATOM 0 HD21 LEU A 89 10.417 7.657 0.066 1.00 1.23 H new ATOM 0 HD22 LEU A 89 10.441 9.251 -0.726 1.00 1.23 H new ATOM 0 HD23 LEU A 89 8.935 8.305 -0.676 1.00 1.23 H new ATOM 1254 N LEU A 90 10.917 5.682 -4.625 1.00 0.46 N ATOM 1255 CA LEU A 90 11.906 4.753 -5.136 1.00 0.46 C ATOM 1256 C LEU A 90 11.567 4.283 -6.560 1.00 0.40 C ATOM 1257 O LEU A 90 12.441 4.214 -7.425 1.00 0.42 O ATOM 1258 CB LEU A 90 12.015 3.567 -4.172 1.00 0.54 C ATOM 1259 CG LEU A 90 12.805 3.858 -2.896 1.00 0.82 C ATOM 1260 CD1 LEU A 90 12.707 2.692 -1.933 1.00 1.33 C ATOM 1261 CD2 LEU A 90 14.261 4.159 -3.226 1.00 1.59 C ATOM 0 H LEU A 90 10.350 5.303 -3.867 1.00 0.46 H new ATOM 0 HA LEU A 90 12.868 5.261 -5.200 1.00 0.46 H new ATOM 0 HB2 LEU A 90 11.011 3.245 -3.897 1.00 0.54 H new ATOM 0 HB3 LEU A 90 12.485 2.733 -4.693 1.00 0.54 H new ATOM 0 HG LEU A 90 12.373 4.737 -2.417 1.00 0.82 H new ATOM 0 HD11 LEU A 90 13.275 2.917 -1.030 1.00 1.33 H new ATOM 0 HD12 LEU A 90 11.662 2.523 -1.671 1.00 1.33 H new ATOM 0 HD13 LEU A 90 13.113 1.796 -2.404 1.00 1.33 H new ATOM 0 HD21 LEU A 90 14.808 4.364 -2.306 1.00 1.59 H new ATOM 0 HD22 LEU A 90 14.705 3.300 -3.729 1.00 1.59 H new ATOM 0 HD23 LEU A 90 14.313 5.029 -3.880 1.00 1.59 H new ATOM 1273 N GLN A 91 10.295 3.961 -6.793 1.00 0.36 N ATOM 1274 CA GLN A 91 9.865 3.370 -8.061 1.00 0.35 C ATOM 1275 C GLN A 91 9.786 4.396 -9.199 1.00 0.34 C ATOM 1276 O GLN A 91 10.474 4.250 -10.208 1.00 0.40 O ATOM 1277 CB GLN A 91 8.501 2.689 -7.835 1.00 0.38 C ATOM 1278 CG GLN A 91 7.678 2.411 -9.087 1.00 0.72 C ATOM 1279 CD GLN A 91 8.329 1.424 -10.027 1.00 1.14 C ATOM 1280 OE1 GLN A 91 7.964 1.496 -11.292 1.00 1.74 O flip ATOM 1281 NE2 GLN A 91 9.113 0.582 -9.613 1.00 1.70 N flip ATOM 0 H GLN A 91 9.542 4.100 -6.119 1.00 0.36 H new ATOM 0 HA GLN A 91 10.610 2.639 -8.375 1.00 0.35 H new ATOM 0 HB2 GLN A 91 8.670 1.744 -7.318 1.00 0.38 H new ATOM 0 HB3 GLN A 91 7.910 3.316 -7.168 1.00 0.38 H new ATOM 0 HG2 GLN A 91 6.700 2.030 -8.793 1.00 0.72 H new ATOM 0 HG3 GLN A 91 7.509 3.348 -9.617 1.00 0.72 H new ATOM 0 HE21 GLN A 91 9.367 0.564 -8.625 1.00 1.70 H new ATOM 0 HE22 GLN A 91 9.513 -0.102 -10.255 1.00 1.70 H new ATOM 1290 N GLN A 92 9.032 5.468 -8.960 1.00 0.31 N ATOM 1291 CA GLN A 92 8.733 6.542 -9.928 1.00 0.36 C ATOM 1292 C GLN A 92 7.419 7.199 -9.539 1.00 0.39 C ATOM 1293 O GLN A 92 6.351 6.639 -9.766 1.00 0.42 O ATOM 1294 CB GLN A 92 8.654 6.082 -11.413 1.00 0.43 C ATOM 1295 CG GLN A 92 8.009 4.727 -11.680 1.00 0.46 C ATOM 1296 CD GLN A 92 8.690 4.008 -12.840 1.00 0.62 C ATOM 1297 OE1 GLN A 92 9.881 4.197 -13.089 1.00 0.87 O ATOM 1298 NE2 GLN A 92 7.953 3.171 -13.549 1.00 0.87 N ATOM 0 H GLN A 92 8.592 5.626 -8.054 1.00 0.31 H new ATOM 0 HA GLN A 92 9.571 7.237 -9.878 1.00 0.36 H new ATOM 0 HB2 GLN A 92 8.103 6.837 -11.973 1.00 0.43 H new ATOM 0 HB3 GLN A 92 9.666 6.062 -11.817 1.00 0.43 H new ATOM 0 HG2 GLN A 92 8.068 4.111 -10.783 1.00 0.46 H new ATOM 0 HG3 GLN A 92 6.951 4.863 -11.905 1.00 0.46 H new ATOM 0 HE21 GLN A 92 6.969 3.036 -13.317 1.00 0.87 H new ATOM 0 HE22 GLN A 92 8.368 2.660 -14.328 1.00 0.87 H new ATOM 1307 N LEU A 93 7.491 8.376 -8.931 1.00 0.48 N ATOM 1308 CA LEU A 93 6.282 9.087 -8.532 1.00 0.61 C ATOM 1309 C LEU A 93 5.526 9.530 -9.769 1.00 0.61 C ATOM 1310 O LEU A 93 4.298 9.514 -9.804 1.00 0.66 O ATOM 1311 CB LEU A 93 6.588 10.317 -7.667 1.00 0.80 C ATOM 1312 CG LEU A 93 7.345 10.053 -6.366 1.00 0.78 C ATOM 1313 CD1 LEU A 93 8.841 10.034 -6.615 1.00 1.28 C ATOM 1314 CD2 LEU A 93 6.989 11.097 -5.321 1.00 1.60 C ATOM 0 H LEU A 93 8.363 8.855 -8.705 1.00 0.48 H new ATOM 0 HA LEU A 93 5.682 8.400 -7.936 1.00 0.61 H new ATOM 0 HB2 LEU A 93 7.168 11.021 -8.264 1.00 0.80 H new ATOM 0 HB3 LEU A 93 5.646 10.807 -7.422 1.00 0.80 H new ATOM 0 HG LEU A 93 7.049 9.075 -5.988 1.00 0.78 H new ATOM 0 HD11 LEU A 93 9.364 9.845 -5.677 1.00 1.28 H new ATOM 0 HD12 LEU A 93 9.081 9.247 -7.329 1.00 1.28 H new ATOM 0 HD13 LEU A 93 9.155 10.997 -7.017 1.00 1.28 H new ATOM 0 HD21 LEU A 93 7.537 10.893 -4.401 1.00 1.60 H new ATOM 0 HD22 LEU A 93 7.256 12.087 -5.690 1.00 1.60 H new ATOM 0 HD23 LEU A 93 5.918 11.061 -5.121 1.00 1.60 H new ATOM 1326 N ALA A 94 6.278 9.908 -10.786 1.00 0.63 N ATOM 1327 CA ALA A 94 5.692 10.364 -12.028 1.00 0.73 C ATOM 1328 C ALA A 94 4.940 9.235 -12.721 1.00 0.71 C ATOM 1329 O ALA A 94 3.850 9.445 -13.251 1.00 0.78 O ATOM 1330 CB ALA A 94 6.766 10.940 -12.937 1.00 0.79 C ATOM 0 H ALA A 94 7.298 9.907 -10.774 1.00 0.63 H new ATOM 0 HA ALA A 94 4.974 11.152 -11.802 1.00 0.73 H new ATOM 0 HB1 ALA A 94 6.311 11.279 -13.868 1.00 0.79 H new ATOM 0 HB2 ALA A 94 7.249 11.782 -12.441 1.00 0.79 H new ATOM 0 HB3 ALA A 94 7.509 10.172 -13.155 1.00 0.79 H new ATOM 1336 N ASP A 95 5.520 8.039 -12.736 1.00 0.65 N ATOM 1337 CA ASP A 95 4.861 6.906 -13.378 1.00 0.67 C ATOM 1338 C ASP A 95 3.835 6.240 -12.470 1.00 0.68 C ATOM 1339 O ASP A 95 2.674 6.099 -12.831 1.00 0.71 O ATOM 1340 CB ASP A 95 5.870 5.860 -13.848 1.00 0.67 C ATOM 1341 CG ASP A 95 5.207 4.543 -14.227 1.00 0.78 C ATOM 1342 OD1 ASP A 95 4.586 4.470 -15.309 1.00 0.88 O ATOM 1343 OD2 ASP A 95 5.307 3.571 -13.441 1.00 0.87 O ATOM 0 H ASP A 95 6.428 7.830 -12.320 1.00 0.65 H new ATOM 0 HA ASP A 95 4.340 7.317 -14.243 1.00 0.67 H new ATOM 0 HB2 ASP A 95 6.418 6.248 -14.707 1.00 0.67 H new ATOM 0 HB3 ASP A 95 6.600 5.682 -13.058 1.00 0.67 H new ATOM 1348 N ALA A 96 4.266 5.872 -11.276 1.00 0.67 N ATOM 1349 CA ALA A 96 3.461 5.048 -10.384 1.00 0.72 C ATOM 1350 C ALA A 96 2.411 5.854 -9.634 1.00 0.75 C ATOM 1351 O ALA A 96 1.246 5.470 -9.583 1.00 0.83 O ATOM 1352 CB ALA A 96 4.361 4.312 -9.412 1.00 0.74 C ATOM 0 H ALA A 96 5.177 6.132 -10.897 1.00 0.67 H new ATOM 0 HA ALA A 96 2.922 4.328 -11.000 1.00 0.72 H new ATOM 0 HB1 ALA A 96 3.754 3.698 -8.748 1.00 0.74 H new ATOM 0 HB2 ALA A 96 5.051 3.675 -9.966 1.00 0.74 H new ATOM 0 HB3 ALA A 96 4.927 5.033 -8.823 1.00 0.74 H new ATOM 1358 N TYR A 97 2.818 6.971 -9.054 1.00 0.72 N ATOM 1359 CA TYR A 97 1.925 7.741 -8.200 1.00 0.76 C ATOM 1360 C TYR A 97 0.844 8.432 -9.034 1.00 0.86 C ATOM 1361 O TYR A 97 -0.311 8.517 -8.621 1.00 0.96 O ATOM 1362 CB TYR A 97 2.721 8.758 -7.379 1.00 0.71 C ATOM 1363 CG TYR A 97 1.984 9.287 -6.167 1.00 0.72 C ATOM 1364 CD1 TYR A 97 2.028 8.606 -4.956 1.00 0.84 C ATOM 1365 CD2 TYR A 97 1.253 10.465 -6.229 1.00 0.90 C ATOM 1366 CE1 TYR A 97 1.365 9.087 -3.842 1.00 0.96 C ATOM 1367 CE2 TYR A 97 0.586 10.950 -5.121 1.00 1.02 C ATOM 1368 CZ TYR A 97 0.644 10.259 -3.931 1.00 0.98 C ATOM 1369 OH TYR A 97 -0.014 10.748 -2.821 1.00 1.18 O ATOM 0 H TYR A 97 3.754 7.364 -9.157 1.00 0.72 H new ATOM 0 HA TYR A 97 1.429 7.059 -7.509 1.00 0.76 H new ATOM 0 HB2 TYR A 97 3.652 8.295 -7.051 1.00 0.71 H new ATOM 0 HB3 TYR A 97 2.990 9.596 -8.021 1.00 0.71 H new ATOM 0 HD1 TYR A 97 2.589 7.686 -4.884 1.00 0.84 H new ATOM 0 HD2 TYR A 97 1.205 11.012 -7.159 1.00 0.90 H new ATOM 0 HE1 TYR A 97 1.412 8.548 -2.907 1.00 0.96 H new ATOM 0 HE2 TYR A 97 0.021 11.868 -5.188 1.00 1.02 H new ATOM 0 HH TYR A 97 -0.473 11.582 -3.054 1.00 1.18 H new ATOM 1379 N VAL A 98 1.225 8.943 -10.201 1.00 0.91 N ATOM 1380 CA VAL A 98 0.257 9.528 -11.126 1.00 1.11 C ATOM 1381 C VAL A 98 -0.692 8.464 -11.697 1.00 1.30 C ATOM 1382 O VAL A 98 -1.886 8.714 -11.882 1.00 1.35 O ATOM 1383 CB VAL A 98 0.974 10.270 -12.277 1.00 1.24 C ATOM 1384 CG1 VAL A 98 -0.025 10.833 -13.275 1.00 1.74 C ATOM 1385 CG2 VAL A 98 1.851 11.383 -11.723 1.00 1.72 C ATOM 0 H VAL A 98 2.191 8.965 -10.528 1.00 0.91 H new ATOM 0 HA VAL A 98 -0.338 10.245 -10.561 1.00 1.11 H new ATOM 0 HB VAL A 98 1.604 9.551 -12.800 1.00 1.24 H new ATOM 0 HG11 VAL A 98 0.509 11.349 -14.073 1.00 1.74 H new ATOM 0 HG12 VAL A 98 -0.613 10.019 -13.699 1.00 1.74 H new ATOM 0 HG13 VAL A 98 -0.688 11.535 -12.769 1.00 1.74 H new ATOM 0 HG21 VAL A 98 2.350 11.897 -12.545 1.00 1.72 H new ATOM 0 HG22 VAL A 98 1.234 12.093 -11.173 1.00 1.72 H new ATOM 0 HG23 VAL A 98 2.599 10.958 -11.054 1.00 1.72 H new ATOM 1395 N ASP A 99 -0.160 7.269 -11.948 1.00 1.46 N ATOM 1396 CA ASP A 99 -0.955 6.150 -12.471 1.00 1.66 C ATOM 1397 C ASP A 99 -1.849 5.558 -11.389 1.00 1.52 C ATOM 1398 O ASP A 99 -2.742 4.762 -11.671 1.00 1.56 O ATOM 1399 CB ASP A 99 -0.058 5.058 -13.052 1.00 2.08 C ATOM 1400 CG ASP A 99 -0.276 4.849 -14.538 1.00 2.73 C ATOM 1401 OD1 ASP A 99 -1.178 4.062 -14.913 1.00 3.22 O ATOM 1402 OD2 ASP A 99 0.439 5.474 -15.347 1.00 3.00 O ATOM 0 H ASP A 99 0.824 7.046 -11.798 1.00 1.46 H new ATOM 0 HA ASP A 99 -1.584 6.547 -13.268 1.00 1.66 H new ATOM 0 HB2 ASP A 99 0.985 5.319 -12.875 1.00 2.08 H new ATOM 0 HB3 ASP A 99 -0.246 4.122 -12.526 1.00 2.08 H new ATOM 1407 N LEU A 100 -1.580 5.936 -10.148 1.00 1.45 N ATOM 1408 CA LEU A 100 -2.287 5.397 -8.993 1.00 1.47 C ATOM 1409 C LEU A 100 -3.800 5.615 -9.121 1.00 1.29 C ATOM 1410 O LEU A 100 -4.590 4.756 -8.721 1.00 1.31 O ATOM 1411 CB LEU A 100 -1.726 6.055 -7.718 1.00 1.67 C ATOM 1412 CG LEU A 100 -2.066 5.394 -6.375 1.00 1.93 C ATOM 1413 CD1 LEU A 100 -3.501 5.684 -5.963 1.00 2.62 C ATOM 1414 CD2 LEU A 100 -1.815 3.896 -6.438 1.00 2.05 C ATOM 0 H LEU A 100 -0.866 6.625 -9.912 1.00 1.45 H new ATOM 0 HA LEU A 100 -2.130 4.320 -8.938 1.00 1.47 H new ATOM 0 HB2 LEU A 100 -0.641 6.095 -7.809 1.00 1.67 H new ATOM 0 HB3 LEU A 100 -2.081 7.085 -7.686 1.00 1.67 H new ATOM 0 HG LEU A 100 -1.411 5.822 -5.616 1.00 1.93 H new ATOM 0 HD11 LEU A 100 -3.710 5.202 -5.008 1.00 2.62 H new ATOM 0 HD12 LEU A 100 -3.641 6.760 -5.864 1.00 2.62 H new ATOM 0 HD13 LEU A 100 -4.182 5.298 -6.721 1.00 2.62 H new ATOM 0 HD21 LEU A 100 -2.062 3.445 -5.477 1.00 2.05 H new ATOM 0 HD22 LEU A 100 -2.438 3.455 -7.216 1.00 2.05 H new ATOM 0 HD23 LEU A 100 -0.765 3.712 -6.666 1.00 2.05 H new ATOM 1426 N ARG A 101 -4.209 6.741 -9.706 1.00 1.20 N ATOM 1427 CA ARG A 101 -5.636 7.030 -9.846 1.00 1.24 C ATOM 1428 C ARG A 101 -6.320 6.029 -10.787 1.00 1.16 C ATOM 1429 O ARG A 101 -7.306 5.407 -10.399 1.00 1.28 O ATOM 1430 CB ARG A 101 -5.891 8.466 -10.330 1.00 1.33 C ATOM 1431 CG ARG A 101 -5.572 9.538 -9.302 1.00 1.51 C ATOM 1432 CD ARG A 101 -4.103 9.923 -9.313 1.00 1.91 C ATOM 1433 NE ARG A 101 -3.707 10.546 -10.576 1.00 2.59 N ATOM 1434 CZ ARG A 101 -3.244 11.792 -10.677 1.00 3.45 C ATOM 1435 NH1 ARG A 101 -3.113 12.546 -9.593 1.00 3.87 N ATOM 1436 NH2 ARG A 101 -2.916 12.284 -11.863 1.00 4.30 N ATOM 0 H ARG A 101 -3.586 7.455 -10.084 1.00 1.20 H new ATOM 0 HA ARG A 101 -6.071 6.929 -8.852 1.00 1.24 H new ATOM 0 HB2 ARG A 101 -5.294 8.647 -11.224 1.00 1.33 H new ATOM 0 HB3 ARG A 101 -6.937 8.558 -10.621 1.00 1.33 H new ATOM 0 HG2 ARG A 101 -6.179 10.421 -9.500 1.00 1.51 H new ATOM 0 HG3 ARG A 101 -5.845 9.180 -8.309 1.00 1.51 H new ATOM 0 HD2 ARG A 101 -3.903 10.611 -8.492 1.00 1.91 H new ATOM 0 HD3 ARG A 101 -3.495 9.035 -9.141 1.00 1.91 H new ATOM 0 HE ARG A 101 -3.790 9.994 -11.430 1.00 2.59 H new ATOM 0 HH11 ARG A 101 -3.367 12.173 -8.678 1.00 3.87 H new ATOM 0 HH12 ARG A 101 -2.758 13.499 -9.674 1.00 3.87 H new ATOM 0 HH21 ARG A 101 -3.018 11.709 -12.699 1.00 4.30 H new ATOM 0 HH22 ARG A 101 -2.562 13.237 -11.939 1.00 4.30 H new ATOM 1450 N PRO A 102 -5.816 5.834 -12.029 1.00 1.08 N ATOM 1451 CA PRO A 102 -6.341 4.797 -12.928 1.00 1.12 C ATOM 1452 C PRO A 102 -6.307 3.404 -12.296 1.00 1.04 C ATOM 1453 O PRO A 102 -7.195 2.585 -12.532 1.00 1.11 O ATOM 1454 CB PRO A 102 -5.406 4.857 -14.138 1.00 1.21 C ATOM 1455 CG PRO A 102 -4.862 6.241 -14.132 1.00 1.23 C ATOM 1456 CD PRO A 102 -4.761 6.637 -12.686 1.00 1.12 C ATOM 0 HA PRO A 102 -7.388 4.972 -13.176 1.00 1.12 H new ATOM 0 HB2 PRO A 102 -4.608 4.118 -14.058 1.00 1.21 H new ATOM 0 HB3 PRO A 102 -5.943 4.647 -15.063 1.00 1.21 H new ATOM 0 HG2 PRO A 102 -3.886 6.279 -14.617 1.00 1.23 H new ATOM 0 HG3 PRO A 102 -5.516 6.920 -14.678 1.00 1.23 H new ATOM 0 HD2 PRO A 102 -3.775 6.414 -12.278 1.00 1.12 H new ATOM 0 HD3 PRO A 102 -4.928 7.706 -12.551 1.00 1.12 H new ATOM 1464 N TRP A 103 -5.291 3.150 -11.477 1.00 0.95 N ATOM 1465 CA TRP A 103 -5.136 1.850 -10.832 1.00 0.93 C ATOM 1466 C TRP A 103 -6.289 1.558 -9.868 1.00 0.89 C ATOM 1467 O TRP A 103 -6.786 0.432 -9.816 1.00 0.97 O ATOM 1468 CB TRP A 103 -3.787 1.755 -10.106 1.00 0.95 C ATOM 1469 CG TRP A 103 -2.611 1.667 -11.039 1.00 1.08 C ATOM 1470 CD1 TRP A 103 -2.649 1.357 -12.366 1.00 1.52 C ATOM 1471 CD2 TRP A 103 -1.226 1.879 -10.717 1.00 0.87 C ATOM 1472 NE1 TRP A 103 -1.384 1.371 -12.893 1.00 1.57 N ATOM 1473 CE2 TRP A 103 -0.491 1.686 -11.904 1.00 1.12 C ATOM 1474 CE3 TRP A 103 -0.534 2.216 -9.549 1.00 0.72 C ATOM 1475 CZ2 TRP A 103 0.897 1.821 -11.953 1.00 1.00 C ATOM 1476 CZ3 TRP A 103 0.842 2.346 -9.602 1.00 0.72 C ATOM 1477 CH2 TRP A 103 1.547 2.150 -10.797 1.00 0.69 C ATOM 0 H TRP A 103 -4.564 3.826 -11.244 1.00 0.95 H new ATOM 0 HA TRP A 103 -5.159 1.093 -11.616 1.00 0.93 H new ATOM 0 HB2 TRP A 103 -3.667 2.627 -9.463 1.00 0.95 H new ATOM 0 HB3 TRP A 103 -3.793 0.879 -9.457 1.00 0.95 H new ATOM 0 HD1 TRP A 103 -3.547 1.133 -12.922 1.00 1.52 H new ATOM 0 HE1 TRP A 103 -1.146 1.178 -13.866 1.00 1.57 H new ATOM 0 HE3 TRP A 103 -1.065 2.372 -8.622 1.00 0.72 H new ATOM 0 HZ2 TRP A 103 1.440 1.670 -12.874 1.00 1.00 H new ATOM 0 HZ3 TRP A 103 1.384 2.604 -8.704 1.00 0.72 H new ATOM 0 HH2 TRP A 103 2.621 2.261 -10.804 1.00 0.69 H new ATOM 1488 N LEU A 104 -6.723 2.562 -9.109 1.00 0.84 N ATOM 1489 CA LEU A 104 -7.860 2.381 -8.206 1.00 0.87 C ATOM 1490 C LEU A 104 -9.160 2.228 -8.998 1.00 1.03 C ATOM 1491 O LEU A 104 -10.088 1.551 -8.558 1.00 1.12 O ATOM 1492 CB LEU A 104 -7.954 3.495 -7.142 1.00 0.92 C ATOM 1493 CG LEU A 104 -8.285 4.907 -7.635 1.00 1.26 C ATOM 1494 CD1 LEU A 104 -9.789 5.135 -7.660 1.00 1.78 C ATOM 1495 CD2 LEU A 104 -7.604 5.944 -6.755 1.00 1.78 C ATOM 0 H LEU A 104 -6.313 3.496 -9.099 1.00 0.84 H new ATOM 0 HA LEU A 104 -7.694 1.456 -7.653 1.00 0.87 H new ATOM 0 HB2 LEU A 104 -8.712 3.205 -6.415 1.00 0.92 H new ATOM 0 HB3 LEU A 104 -7.003 3.537 -6.611 1.00 0.92 H new ATOM 0 HG LEU A 104 -7.911 5.011 -8.653 1.00 1.26 H new ATOM 0 HD11 LEU A 104 -9.998 6.145 -8.014 1.00 1.78 H new ATOM 0 HD12 LEU A 104 -10.255 4.412 -8.329 1.00 1.78 H new ATOM 0 HD13 LEU A 104 -10.192 5.012 -6.655 1.00 1.78 H new ATOM 0 HD21 LEU A 104 -7.847 6.943 -7.116 1.00 1.78 H new ATOM 0 HD22 LEU A 104 -7.952 5.834 -5.728 1.00 1.78 H new ATOM 0 HD23 LEU A 104 -6.524 5.798 -6.790 1.00 1.78 H new ATOM 1507 N LEU A 105 -9.235 2.872 -10.158 1.00 1.12 N ATOM 1508 CA LEU A 105 -10.394 2.720 -11.037 1.00 1.36 C ATOM 1509 C LEU A 105 -10.563 1.264 -11.456 1.00 1.52 C ATOM 1510 O LEU A 105 -11.682 0.785 -11.645 1.00 1.75 O ATOM 1511 CB LEU A 105 -10.260 3.602 -12.285 1.00 1.47 C ATOM 1512 CG LEU A 105 -10.901 4.990 -12.195 1.00 1.76 C ATOM 1513 CD1 LEU A 105 -10.277 5.806 -11.079 1.00 1.98 C ATOM 1514 CD2 LEU A 105 -10.766 5.715 -13.521 1.00 2.39 C ATOM 0 H LEU A 105 -8.514 3.500 -10.512 1.00 1.12 H new ATOM 0 HA LEU A 105 -11.275 3.036 -10.479 1.00 1.36 H new ATOM 0 HB2 LEU A 105 -9.200 3.726 -12.506 1.00 1.47 H new ATOM 0 HB3 LEU A 105 -10.702 3.073 -13.129 1.00 1.47 H new ATOM 0 HG LEU A 105 -11.960 4.864 -11.968 1.00 1.76 H new ATOM 0 HD11 LEU A 105 -10.750 6.787 -11.037 1.00 1.98 H new ATOM 0 HD12 LEU A 105 -10.421 5.293 -10.128 1.00 1.98 H new ATOM 0 HD13 LEU A 105 -9.210 5.926 -11.268 1.00 1.98 H new ATOM 0 HD21 LEU A 105 -11.225 6.701 -13.445 1.00 2.39 H new ATOM 0 HD22 LEU A 105 -9.710 5.825 -13.770 1.00 2.39 H new ATOM 0 HD23 LEU A 105 -11.265 5.141 -14.302 1.00 2.39 H new ATOM 1526 N GLU A 106 -9.443 0.560 -11.590 1.00 1.49 N ATOM 1527 CA GLU A 106 -9.459 -0.839 -11.996 1.00 1.76 C ATOM 1528 C GLU A 106 -10.070 -1.730 -10.913 1.00 1.76 C ATOM 1529 O GLU A 106 -10.854 -2.628 -11.215 1.00 2.02 O ATOM 1530 CB GLU A 106 -8.042 -1.308 -12.333 1.00 1.86 C ATOM 1531 CG GLU A 106 -7.395 -0.511 -13.453 1.00 2.09 C ATOM 1532 CD GLU A 106 -6.031 -1.046 -13.842 1.00 2.61 C ATOM 1533 OE1 GLU A 106 -5.970 -2.117 -14.481 1.00 2.89 O ATOM 1534 OE2 GLU A 106 -5.016 -0.396 -13.520 1.00 2.91 O ATOM 0 H GLU A 106 -8.511 0.938 -11.422 1.00 1.49 H new ATOM 0 HA GLU A 106 -10.083 -0.922 -12.886 1.00 1.76 H new ATOM 0 HB2 GLU A 106 -7.421 -1.236 -11.440 1.00 1.86 H new ATOM 0 HB3 GLU A 106 -8.073 -2.360 -12.616 1.00 1.86 H new ATOM 0 HG2 GLU A 106 -8.048 -0.524 -14.326 1.00 2.09 H new ATOM 0 HG3 GLU A 106 -7.297 0.529 -13.143 1.00 2.09 H new ATOM 1541 N ILE A 107 -9.728 -1.473 -9.651 1.00 1.51 N ATOM 1542 CA ILE A 107 -10.274 -2.264 -8.547 1.00 1.56 C ATOM 1543 C ILE A 107 -11.740 -1.890 -8.297 1.00 1.62 C ATOM 1544 O ILE A 107 -12.505 -2.637 -7.685 1.00 1.82 O ATOM 1545 CB ILE A 107 -9.431 -2.112 -7.248 1.00 1.47 C ATOM 1546 CG1 ILE A 107 -9.918 -3.052 -6.141 1.00 1.98 C ATOM 1547 CG2 ILE A 107 -9.465 -0.681 -6.744 1.00 2.24 C ATOM 1548 CD1 ILE A 107 -10.097 -4.489 -6.584 1.00 2.47 C ATOM 0 H ILE A 107 -9.084 -0.734 -9.369 1.00 1.51 H new ATOM 0 HA ILE A 107 -10.225 -3.314 -8.837 1.00 1.56 H new ATOM 0 HB ILE A 107 -8.406 -2.381 -7.504 1.00 1.47 H new ATOM 0 HG12 ILE A 107 -9.206 -3.023 -5.316 1.00 1.98 H new ATOM 0 HG13 ILE A 107 -10.868 -2.681 -5.756 1.00 1.98 H new ATOM 0 HG21 ILE A 107 -8.868 -0.601 -5.835 1.00 2.24 H new ATOM 0 HG22 ILE A 107 -9.057 -0.017 -7.506 1.00 2.24 H new ATOM 0 HG23 ILE A 107 -10.495 -0.396 -6.528 1.00 2.24 H new ATOM 0 HD11 ILE A 107 -10.444 -5.089 -5.742 1.00 2.47 H new ATOM 0 HD12 ILE A 107 -10.832 -4.533 -7.388 1.00 2.47 H new ATOM 0 HD13 ILE A 107 -9.145 -4.881 -6.941 1.00 2.47 H new ATOM 1560 N GLY A 108 -12.113 -0.716 -8.806 1.00 1.55 N ATOM 1561 CA GLY A 108 -13.503 -0.311 -8.851 1.00 1.84 C ATOM 1562 C GLY A 108 -14.110 -0.060 -7.488 1.00 1.65 C ATOM 1563 O GLY A 108 -15.232 -0.485 -7.222 1.00 2.19 O ATOM 0 H GLY A 108 -11.463 -0.032 -9.193 1.00 1.55 H new ATOM 0 HA2 GLY A 108 -13.588 0.596 -9.449 1.00 1.84 H new ATOM 0 HA3 GLY A 108 -14.081 -1.083 -9.359 1.00 1.84 H new ATOM 1567 N PHE A 109 -13.380 0.631 -6.621 1.00 1.90 N ATOM 1568 CA PHE A 109 -13.913 0.968 -5.309 1.00 2.74 C ATOM 1569 C PHE A 109 -15.012 2.017 -5.452 1.00 3.47 C ATOM 1570 O PHE A 109 -16.104 1.864 -4.909 1.00 4.14 O ATOM 1571 CB PHE A 109 -12.811 1.472 -4.374 1.00 3.42 C ATOM 1572 CG PHE A 109 -13.292 1.697 -2.968 1.00 4.00 C ATOM 1573 CD1 PHE A 109 -13.428 0.632 -2.094 1.00 4.33 C ATOM 1574 CD2 PHE A 109 -13.620 2.969 -2.527 1.00 4.67 C ATOM 1575 CE1 PHE A 109 -13.879 0.830 -0.804 1.00 5.24 C ATOM 1576 CE2 PHE A 109 -14.074 3.172 -1.239 1.00 5.60 C ATOM 1577 CZ PHE A 109 -14.203 2.102 -0.377 1.00 5.86 C ATOM 0 H PHE A 109 -12.432 0.964 -6.799 1.00 1.90 H new ATOM 0 HA PHE A 109 -14.334 0.065 -4.867 1.00 2.74 H new ATOM 0 HB2 PHE A 109 -11.994 0.750 -4.362 1.00 3.42 H new ATOM 0 HB3 PHE A 109 -12.406 2.405 -4.767 1.00 3.42 H new ATOM 0 HD1 PHE A 109 -13.178 -0.365 -2.425 1.00 4.33 H new ATOM 0 HD2 PHE A 109 -13.520 3.810 -3.197 1.00 4.67 H new ATOM 0 HE1 PHE A 109 -13.978 -0.009 -0.131 1.00 5.24 H new ATOM 0 HE2 PHE A 109 -14.328 4.168 -0.906 1.00 5.60 H new ATOM 0 HZ PHE A 109 -14.557 2.260 0.631 1.00 5.86 H new ATOM 1587 N SER A 110 -14.717 3.072 -6.194 1.00 3.90 N ATOM 1588 CA SER A 110 -15.698 4.106 -6.474 1.00 5.06 C ATOM 1589 C SER A 110 -16.150 4.019 -7.928 1.00 5.73 C ATOM 1590 O SER A 110 -17.198 3.391 -8.192 1.00 6.28 O ATOM 1591 CB SER A 110 -15.108 5.486 -6.165 1.00 5.62 C ATOM 1592 OG SER A 110 -13.826 5.638 -6.754 1.00 5.57 O ATOM 0 H SER A 110 -13.802 3.234 -6.614 1.00 3.90 H new ATOM 0 HA SER A 110 -16.569 3.956 -5.837 1.00 5.06 H new ATOM 0 HB2 SER A 110 -15.777 6.262 -6.537 1.00 5.62 H new ATOM 0 HB3 SER A 110 -15.034 5.620 -5.086 1.00 5.62 H new ATOM 0 HG SER A 110 -13.473 6.527 -6.543 1.00 5.57 H new TER 1598 SER A 110