USER MOD reduce.3.24.130724 H: found=0, std=0, add=1166, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1167 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 115 HIS : no HE2:sc= -10.7! C(o=-15!,f=-22!) USER MOD Set 1.2: A 118 MET CE :methyl -112:sc= -4.53! (180deg=-5.28!) USER MOD Set 2.1: A 31 SER OG : rot -160:sc= -1.2 USER MOD Set 2.2: A 62 THR OG1 : rot -145:sc= -0.106 USER MOD Set 3.1: A 40 TYR OH : rot 150:sc= 0.0264! USER MOD Set 3.2: A 53 TYR OH : rot 180:sc= -0.233 USER MOD Set 3.3: A 55 ASN : amide:sc= -7.85! C(o=-8.1!,f=-9.1!) USER MOD Set 4.1: A 37 SER OG : rot 180:sc= -0.058 USER MOD Set 4.2: A 38 SER OG : rot 153:sc= 0.541 USER MOD Set 5.1: A 10 ASN : amide:sc= -0.468 K(o=-3.5,f=-5!) USER MOD Set 5.2: A 48 GLN :FLIP amide:sc= -3.05 F(o=-7.5!,f=-3.5) USER MOD Single : A 1 THR N :NH3+ 159:sc= 0.00205 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc=0.000558 USER MOD Single : A 4 TYR OH : rot 74:sc= -0.888! USER MOD Single : A 9 SER OG : rot 4:sc= -0.0754 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= 0.349 F(o=-1.8!,f=0.35) USER MOD Single : A 19 ASN :FLIP amide:sc= -2.58! C(o=-6!,f=-2.6!) USER MOD Single : A 23 LYS NZ :NH3+ 165:sc= -0.029 (180deg=-0.264) USER MOD Single : A 32 HIS : no HE2:sc= -0.0116 K(o=-0.012,f=-4.9!) USER MOD Single : A 35 THR OG1 : rot 176:sc= -3.37! USER MOD Single : A 42 THR OG1 : rot 70:sc= -0.0979 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc= -1.4 F(o=-4.6!,f=-1.4) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -2.85! C(o=-3.9!,f=-2.8!) USER MOD Single : A 73 THR OG1 : rot 79:sc= -1.75! USER MOD Single : A 74 GLN : amide:sc= -2.58! C(o=-2.6!,f=-2.2!) USER MOD Single : A 79 GLN :FLIP amide:sc= -3.62! C(o=-4.9!,f=-3.6!) USER MOD Single : A 80 GLN : amide:sc= -5.31! C(o=-5.3!,f=-8.5!) USER MOD Single : A 93 THR OG1 : rot 38:sc= 0.0381 USER MOD Single : A 99 MET CE :methyl -145:sc=-0.00398 (180deg=-1.81!) USER MOD Single : A 103 ASN :FLIP amide:sc= -2.83! C(o=-6.9!,f=-2.8!) USER MOD Single : A 107 ASN : amide:sc= -0.582 K(o=-0.58,f=-1.8!) USER MOD Single : A 108 THR OG1 : rot -50:sc= 0.727 USER MOD Single : A 112 THR OG1 : rot 132:sc= 0.648 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -149:sc= -0.443 (180deg=-1.9!) USER MOD Single : A 120 ASN : amide:sc= -0.987 X(o=-0.99,f=-0.99) USER MOD Single : A 124 MET CE :methyl -160:sc= -0.656 (180deg=-0.687) USER MOD Single : A 142 MET CE :methyl -122:sc= -1.25 (180deg=-6.88!) USER MOD Single : A 145 GLN :FLIP amide:sc= -14.6! C(o=-20!,f=-15!) USER MOD Single : A 148 HIS :FLIP no HE2:sc= -0.0609 F(o=-0.91,f=-0.061) USER MOD Single : A 149 THR OG1 : rot -29:sc= 0.174 USER MOD Single : A 154 LYS NZ :NH3+ 156:sc= 0.00161 (180deg=0) USER MOD Single : A 156 ASN : amide:sc= -2.43! C(o=-2.4!,f=-4.3!) USER MOD Single : A 157 LYS NZ :NH3+ 171:sc=-0.00882 (180deg=-0.0955) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 3.377 -9.155 -14.685 1.00 0.82 N ATOM 2 CA THR A 1 2.466 -9.577 -13.589 1.00 0.59 C ATOM 3 C THR A 1 2.045 -8.389 -12.732 1.00 0.52 C ATOM 4 O THR A 1 2.836 -7.868 -11.942 1.00 0.52 O ATOM 5 CB THR A 1 3.186 -10.616 -12.727 1.00 0.64 C ATOM 6 OG1 THR A 1 3.523 -11.759 -13.494 1.00 0.92 O ATOM 7 CG2 THR A 1 2.367 -11.082 -11.540 1.00 0.62 C ATOM 0 H1 THR A 1 3.920 -9.976 -15.021 1.00 0.82 H new ATOM 0 H2 THR A 1 2.818 -8.765 -15.470 1.00 0.82 H new ATOM 0 H3 THR A 1 4.032 -8.428 -14.332 1.00 0.82 H new ATOM 0 HA THR A 1 1.563 -10.007 -14.023 1.00 0.59 H new ATOM 0 HB THR A 1 4.079 -10.114 -12.356 1.00 0.64 H new ATOM 0 HG1 THR A 1 3.984 -12.410 -12.925 1.00 0.92 H new ATOM 0 HG21 THR A 1 2.936 -11.818 -10.972 1.00 0.62 H new ATOM 0 HG22 THR A 1 2.135 -10.230 -10.901 1.00 0.62 H new ATOM 0 HG23 THR A 1 1.440 -11.534 -11.893 1.00 0.62 H new ATOM 17 N VAL A 2 0.791 -7.967 -12.889 1.00 0.54 N ATOM 18 CA VAL A 2 0.264 -6.844 -12.126 1.00 0.54 C ATOM 19 C VAL A 2 0.136 -7.211 -10.651 1.00 0.44 C ATOM 20 O VAL A 2 -0.786 -7.924 -10.255 1.00 0.45 O ATOM 21 CB VAL A 2 -1.113 -6.396 -12.656 1.00 0.65 C ATOM 22 CG1 VAL A 2 -1.625 -5.193 -11.876 1.00 1.49 C ATOM 23 CG2 VAL A 2 -1.034 -6.081 -14.142 1.00 1.42 C ATOM 0 H VAL A 2 0.125 -8.387 -13.537 1.00 0.54 H new ATOM 0 HA VAL A 2 0.967 -6.019 -12.240 1.00 0.54 H new ATOM 0 HB VAL A 2 -1.818 -7.215 -12.516 1.00 0.65 H new ATOM 0 HG11 VAL A 2 -2.598 -4.893 -12.266 1.00 1.49 H new ATOM 0 HG12 VAL A 2 -1.722 -5.457 -10.823 1.00 1.49 H new ATOM 0 HG13 VAL A 2 -0.922 -4.366 -11.980 1.00 1.49 H new ATOM 0 HG21 VAL A 2 -2.014 -5.766 -14.500 1.00 1.42 H new ATOM 0 HG22 VAL A 2 -0.313 -5.280 -14.306 1.00 1.42 H new ATOM 0 HG23 VAL A 2 -0.717 -6.971 -14.686 1.00 1.42 H new ATOM 33 N ALA A 3 1.070 -6.723 -9.845 1.00 0.43 N ATOM 34 CA ALA A 3 1.069 -7.004 -8.417 1.00 0.40 C ATOM 35 C ALA A 3 0.442 -5.861 -7.627 1.00 0.33 C ATOM 36 O ALA A 3 0.637 -4.689 -7.948 1.00 0.37 O ATOM 37 CB ALA A 3 2.485 -7.273 -7.938 1.00 0.48 C ATOM 0 H ALA A 3 1.839 -6.130 -10.157 1.00 0.43 H new ATOM 0 HA ALA A 3 0.463 -7.894 -8.246 1.00 0.40 H new ATOM 0 HB1 ALA A 3 2.474 -7.482 -6.868 1.00 0.48 H new ATOM 0 HB2 ALA A 3 2.893 -8.132 -8.471 1.00 0.48 H new ATOM 0 HB3 ALA A 3 3.106 -6.398 -8.130 1.00 0.48 H new ATOM 43 N TYR A 4 -0.323 -6.215 -6.599 1.00 0.38 N ATOM 44 CA TYR A 4 -0.997 -5.229 -5.761 1.00 0.48 C ATOM 45 C TYR A 4 -0.103 -4.723 -4.631 1.00 0.46 C ATOM 46 O TYR A 4 0.062 -5.386 -3.610 1.00 0.72 O ATOM 47 CB TYR A 4 -2.287 -5.825 -5.188 1.00 0.79 C ATOM 48 CG TYR A 4 -2.951 -4.984 -4.114 1.00 2.03 C ATOM 49 CD1 TYR A 4 -2.880 -3.593 -4.131 1.00 3.01 C ATOM 50 CD2 TYR A 4 -3.649 -5.587 -3.077 1.00 2.70 C ATOM 51 CE1 TYR A 4 -3.483 -2.835 -3.147 1.00 4.21 C ATOM 52 CE2 TYR A 4 -4.257 -4.835 -2.091 1.00 3.83 C ATOM 53 CZ TYR A 4 -4.170 -3.461 -2.130 1.00 4.50 C ATOM 54 OH TYR A 4 -4.770 -2.710 -1.149 1.00 5.73 O ATOM 0 H TYR A 4 -0.492 -7.183 -6.325 1.00 0.38 H new ATOM 0 HA TYR A 4 -1.237 -4.373 -6.391 1.00 0.48 H new ATOM 0 HB2 TYR A 4 -2.995 -5.975 -6.003 1.00 0.79 H new ATOM 0 HB3 TYR A 4 -2.064 -6.809 -4.774 1.00 0.79 H new ATOM 0 HD1 TYR A 4 -2.344 -3.099 -4.928 1.00 3.01 H new ATOM 0 HD2 TYR A 4 -3.718 -6.664 -3.040 1.00 2.70 H new ATOM 0 HE1 TYR A 4 -3.416 -1.757 -3.174 1.00 4.21 H new ATOM 0 HE2 TYR A 4 -4.798 -5.322 -1.293 1.00 3.83 H new ATOM 0 HH TYR A 4 -5.577 -2.286 -1.509 1.00 5.73 H new ATOM 64 N ILE A 5 0.447 -3.528 -4.835 1.00 0.40 N ATOM 65 CA ILE A 5 1.310 -2.869 -3.863 1.00 0.45 C ATOM 66 C ILE A 5 0.517 -1.839 -3.059 1.00 0.44 C ATOM 67 O ILE A 5 -0.336 -1.138 -3.604 1.00 0.57 O ATOM 68 CB ILE A 5 2.478 -2.143 -4.561 1.00 0.55 C ATOM 69 CG1 ILE A 5 2.718 -2.741 -5.950 1.00 0.52 C ATOM 70 CG2 ILE A 5 3.736 -2.226 -3.707 1.00 0.93 C ATOM 71 CD1 ILE A 5 3.826 -2.058 -6.721 1.00 0.79 C ATOM 0 H ILE A 5 0.304 -2.987 -5.688 1.00 0.40 H new ATOM 0 HA ILE A 5 1.704 -3.641 -3.202 1.00 0.45 H new ATOM 0 HB ILE A 5 2.219 -1.091 -4.683 1.00 0.55 H new ATOM 0 HG12 ILE A 5 2.959 -3.799 -5.844 1.00 0.52 H new ATOM 0 HG13 ILE A 5 1.795 -2.681 -6.527 1.00 0.52 H new ATOM 0 HG21 ILE A 5 4.553 -1.710 -4.211 1.00 0.93 H new ATOM 0 HG22 ILE A 5 3.551 -1.756 -2.741 1.00 0.93 H new ATOM 0 HG23 ILE A 5 4.005 -3.271 -3.557 1.00 0.93 H new ATOM 0 HD11 ILE A 5 3.939 -2.535 -7.695 1.00 0.79 H new ATOM 0 HD12 ILE A 5 3.578 -1.006 -6.859 1.00 0.79 H new ATOM 0 HD13 ILE A 5 4.760 -2.141 -6.166 1.00 0.79 H new ATOM 83 N ALA A 6 0.801 -1.749 -1.768 1.00 0.48 N ATOM 84 CA ALA A 6 0.111 -0.801 -0.898 1.00 0.51 C ATOM 85 C ALA A 6 1.040 0.335 -0.472 1.00 0.46 C ATOM 86 O ALA A 6 2.154 0.089 -0.004 1.00 0.58 O ATOM 87 CB ALA A 6 -0.445 -1.517 0.325 1.00 0.71 C ATOM 0 H ALA A 6 1.504 -2.319 -1.298 1.00 0.48 H new ATOM 0 HA ALA A 6 -0.716 -0.366 -1.460 1.00 0.51 H new ATOM 0 HB1 ALA A 6 -0.957 -0.799 0.966 1.00 0.71 H new ATOM 0 HB2 ALA A 6 -1.149 -2.286 0.007 1.00 0.71 H new ATOM 0 HB3 ALA A 6 0.372 -1.979 0.879 1.00 0.71 H new ATOM 93 N ILE A 7 0.574 1.578 -0.630 1.00 0.44 N ATOM 94 CA ILE A 7 1.377 2.742 -0.253 1.00 0.43 C ATOM 95 C ILE A 7 0.724 3.529 0.880 1.00 0.49 C ATOM 96 O ILE A 7 -0.245 4.255 0.666 1.00 0.58 O ATOM 97 CB ILE A 7 1.610 3.692 -1.447 1.00 0.47 C ATOM 98 CG1 ILE A 7 2.458 3.007 -2.519 1.00 1.19 C ATOM 99 CG2 ILE A 7 2.277 4.981 -0.978 1.00 1.41 C ATOM 100 CD1 ILE A 7 2.783 3.904 -3.696 1.00 1.42 C ATOM 0 H ILE A 7 -0.345 1.801 -1.012 1.00 0.44 H new ATOM 0 HA ILE A 7 2.338 2.351 0.083 1.00 0.43 H new ATOM 0 HB ILE A 7 0.643 3.943 -1.884 1.00 0.47 H new ATOM 0 HG12 ILE A 7 3.388 2.660 -2.069 1.00 1.19 H new ATOM 0 HG13 ILE A 7 1.930 2.124 -2.880 1.00 1.19 H new ATOM 0 HG21 ILE A 7 2.435 5.640 -1.831 1.00 1.41 H new ATOM 0 HG22 ILE A 7 1.637 5.478 -0.249 1.00 1.41 H new ATOM 0 HG23 ILE A 7 3.237 4.747 -0.518 1.00 1.41 H new ATOM 0 HD11 ILE A 7 3.387 3.353 -4.417 1.00 1.42 H new ATOM 0 HD12 ILE A 7 1.858 4.230 -4.171 1.00 1.42 H new ATOM 0 HD13 ILE A 7 3.339 4.775 -3.347 1.00 1.42 H new ATOM 112 N GLY A 8 1.272 3.387 2.085 1.00 0.57 N ATOM 113 CA GLY A 8 0.737 4.097 3.234 1.00 0.69 C ATOM 114 C GLY A 8 1.642 5.221 3.698 1.00 0.68 C ATOM 115 O GLY A 8 2.799 4.991 4.046 1.00 0.77 O ATOM 0 H GLY A 8 2.077 2.793 2.285 1.00 0.57 H new ATOM 0 HA2 GLY A 8 -0.242 4.505 2.981 1.00 0.69 H new ATOM 0 HA3 GLY A 8 0.588 3.394 4.054 1.00 0.69 H new ATOM 119 N SER A 9 1.114 6.442 3.703 1.00 0.70 N ATOM 120 CA SER A 9 1.885 7.605 4.128 1.00 0.75 C ATOM 121 C SER A 9 1.317 8.200 5.414 1.00 0.87 C ATOM 122 O SER A 9 0.170 8.651 5.454 1.00 0.92 O ATOM 123 CB SER A 9 1.906 8.662 3.023 1.00 0.76 C ATOM 124 OG SER A 9 0.597 9.110 2.717 1.00 1.67 O ATOM 0 H SER A 9 0.157 6.651 3.418 1.00 0.70 H new ATOM 0 HA SER A 9 2.906 7.278 4.325 1.00 0.75 H new ATOM 0 HB2 SER A 9 2.518 9.507 3.337 1.00 0.76 H new ATOM 0 HB3 SER A 9 2.370 8.247 2.128 1.00 0.76 H new ATOM 0 HG SER A 9 -0.043 8.693 3.331 1.00 1.67 H new ATOM 130 N ASN A 10 2.134 8.198 6.465 1.00 1.03 N ATOM 131 CA ASN A 10 1.731 8.737 7.761 1.00 1.23 C ATOM 132 C ASN A 10 2.702 9.826 8.208 1.00 1.30 C ATOM 133 O ASN A 10 3.794 9.536 8.695 1.00 2.00 O ATOM 134 CB ASN A 10 1.675 7.620 8.808 1.00 1.55 C ATOM 135 CG ASN A 10 1.166 8.104 10.152 1.00 2.18 C ATOM 136 OD1 ASN A 10 1.759 8.985 10.776 1.00 2.66 O ATOM 137 ND2 ASN A 10 0.063 7.523 10.610 1.00 3.02 N ATOM 0 H ASN A 10 3.084 7.827 6.443 1.00 1.03 H new ATOM 0 HA ASN A 10 0.737 9.173 7.660 1.00 1.23 H new ATOM 0 HB2 ASN A 10 1.029 6.820 8.446 1.00 1.55 H new ATOM 0 HB3 ASN A 10 2.671 7.194 8.933 1.00 1.55 H new ATOM 0 HD21 ASN A 10 -0.324 7.803 11.511 1.00 3.02 H new ATOM 0 HD22 ASN A 10 -0.397 6.797 10.061 1.00 3.02 H new ATOM 144 N LEU A 11 2.298 11.078 8.022 1.00 1.21 N ATOM 145 CA LEU A 11 3.133 12.220 8.385 1.00 1.31 C ATOM 146 C LEU A 11 2.318 13.505 8.241 1.00 1.49 C ATOM 147 O LEU A 11 1.350 13.536 7.484 1.00 1.96 O ATOM 148 CB LEU A 11 4.367 12.253 7.466 1.00 1.36 C ATOM 149 CG LEU A 11 5.597 13.007 7.989 1.00 1.66 C ATOM 150 CD1 LEU A 11 6.810 12.686 7.128 1.00 2.11 C ATOM 151 CD2 LEU A 11 5.362 14.509 8.005 1.00 2.45 C ATOM 0 H LEU A 11 1.395 11.329 7.621 1.00 1.21 H new ATOM 0 HA LEU A 11 3.466 12.132 9.419 1.00 1.31 H new ATOM 0 HB2 LEU A 11 4.662 11.225 7.256 1.00 1.36 H new ATOM 0 HB3 LEU A 11 4.072 12.700 6.517 1.00 1.36 H new ATOM 0 HG LEU A 11 5.779 12.681 9.013 1.00 1.66 H new ATOM 0 HD11 LEU A 11 7.678 13.226 7.507 1.00 2.11 H new ATOM 0 HD12 LEU A 11 7.006 11.614 7.161 1.00 2.11 H new ATOM 0 HD13 LEU A 11 6.616 12.988 6.099 1.00 2.11 H new ATOM 0 HD21 LEU A 11 6.253 15.013 8.381 1.00 2.45 H new ATOM 0 HD22 LEU A 11 5.149 14.855 6.993 1.00 2.45 H new ATOM 0 HD23 LEU A 11 4.515 14.738 8.652 1.00 2.45 H new ATOM 163 N ALA A 12 2.707 14.558 8.961 1.00 1.57 N ATOM 164 CA ALA A 12 2.001 15.837 8.887 1.00 1.79 C ATOM 165 C ALA A 12 1.697 16.194 7.435 1.00 1.71 C ATOM 166 O ALA A 12 0.660 16.783 7.127 1.00 2.29 O ATOM 167 CB ALA A 12 2.823 16.934 9.546 1.00 2.08 C ATOM 0 H ALA A 12 3.503 14.551 9.599 1.00 1.57 H new ATOM 0 HA ALA A 12 1.057 15.744 9.423 1.00 1.79 H new ATOM 0 HB1 ALA A 12 2.285 17.880 9.483 1.00 2.08 H new ATOM 0 HB2 ALA A 12 2.993 16.682 10.593 1.00 2.08 H new ATOM 0 HB3 ALA A 12 3.781 17.027 9.035 1.00 2.08 H new ATOM 173 N SER A 13 2.606 15.802 6.549 1.00 1.54 N ATOM 174 CA SER A 13 2.456 16.036 5.118 1.00 1.42 C ATOM 175 C SER A 13 2.703 14.729 4.367 1.00 1.10 C ATOM 176 O SER A 13 3.812 14.469 3.901 1.00 1.17 O ATOM 177 CB SER A 13 3.432 17.114 4.642 1.00 1.72 C ATOM 178 OG SER A 13 3.291 17.351 3.252 1.00 2.45 O ATOM 0 H SER A 13 3.465 15.314 6.802 1.00 1.54 H new ATOM 0 HA SER A 13 1.443 16.386 4.917 1.00 1.42 H new ATOM 0 HB2 SER A 13 3.254 18.038 5.192 1.00 1.72 H new ATOM 0 HB3 SER A 13 4.454 16.805 4.860 1.00 1.72 H new ATOM 0 HG SER A 13 3.924 18.045 2.973 1.00 2.45 H new ATOM 184 N PRO A 14 1.669 13.874 4.268 1.00 0.96 N ATOM 185 CA PRO A 14 1.776 12.570 3.600 1.00 0.92 C ATOM 186 C PRO A 14 2.212 12.674 2.146 1.00 0.86 C ATOM 187 O PRO A 14 2.811 11.746 1.607 1.00 0.90 O ATOM 188 CB PRO A 14 0.357 12.001 3.692 1.00 1.18 C ATOM 189 CG PRO A 14 -0.272 12.719 4.833 1.00 1.23 C ATOM 190 CD PRO A 14 0.319 14.098 4.819 1.00 1.14 C ATOM 0 HA PRO A 14 2.536 11.946 4.070 1.00 0.92 H new ATOM 0 HB2 PRO A 14 -0.196 12.168 2.768 1.00 1.18 H new ATOM 0 HB3 PRO A 14 0.374 10.925 3.864 1.00 1.18 H new ATOM 0 HG2 PRO A 14 -1.356 12.756 4.723 1.00 1.23 H new ATOM 0 HG3 PRO A 14 -0.065 12.213 5.776 1.00 1.23 H new ATOM 0 HD2 PRO A 14 -0.262 14.780 4.198 1.00 1.14 H new ATOM 0 HD3 PRO A 14 0.358 14.531 5.819 1.00 1.14 H new ATOM 198 N LEU A 15 1.902 13.799 1.511 1.00 0.89 N ATOM 199 CA LEU A 15 2.258 14.011 0.111 1.00 0.90 C ATOM 200 C LEU A 15 3.747 13.770 -0.133 1.00 0.84 C ATOM 201 O LEU A 15 4.150 13.399 -1.236 1.00 0.84 O ATOM 202 CB LEU A 15 1.881 15.430 -0.323 1.00 1.07 C ATOM 203 CG LEU A 15 2.205 15.774 -1.781 1.00 1.33 C ATOM 204 CD1 LEU A 15 1.460 14.848 -2.730 1.00 1.67 C ATOM 205 CD2 LEU A 15 1.861 17.227 -2.075 1.00 1.72 C ATOM 0 H LEU A 15 1.405 14.578 1.942 1.00 0.89 H new ATOM 0 HA LEU A 15 1.698 13.290 -0.485 1.00 0.90 H new ATOM 0 HB2 LEU A 15 0.812 15.570 -0.162 1.00 1.07 H new ATOM 0 HB3 LEU A 15 2.396 16.140 0.324 1.00 1.07 H new ATOM 0 HG LEU A 15 3.275 15.634 -1.936 1.00 1.33 H new ATOM 0 HD11 LEU A 15 1.704 15.109 -3.760 1.00 1.67 H new ATOM 0 HD12 LEU A 15 1.755 13.816 -2.538 1.00 1.67 H new ATOM 0 HD13 LEU A 15 0.386 14.954 -2.574 1.00 1.67 H new ATOM 0 HD21 LEU A 15 2.098 17.454 -3.115 1.00 1.72 H new ATOM 0 HD22 LEU A 15 0.798 17.392 -1.901 1.00 1.72 H new ATOM 0 HD23 LEU A 15 2.441 17.878 -1.421 1.00 1.72 H new ATOM 217 N GLU A 16 4.559 13.991 0.895 1.00 0.86 N ATOM 218 CA GLU A 16 6.003 13.812 0.781 1.00 0.88 C ATOM 219 C GLU A 16 6.395 12.338 0.684 1.00 0.76 C ATOM 220 O GLU A 16 6.982 11.908 -0.312 1.00 0.75 O ATOM 221 CB GLU A 16 6.709 14.456 1.974 1.00 1.05 C ATOM 222 CG GLU A 16 6.416 15.942 2.135 1.00 1.40 C ATOM 223 CD GLU A 16 6.883 16.771 0.954 1.00 1.82 C ATOM 224 OE1 GLU A 16 6.369 16.555 -0.163 1.00 2.16 O ATOM 225 OE2 GLU A 16 7.765 17.636 1.144 1.00 2.49 O ATOM 0 H GLU A 16 4.243 14.294 1.816 1.00 0.86 H new ATOM 0 HA GLU A 16 6.317 14.300 -0.142 1.00 0.88 H new ATOM 0 HB2 GLU A 16 6.411 13.936 2.884 1.00 1.05 H new ATOM 0 HB3 GLU A 16 7.785 14.317 1.866 1.00 1.05 H new ATOM 0 HG2 GLU A 16 5.343 16.082 2.269 1.00 1.40 H new ATOM 0 HG3 GLU A 16 6.900 16.306 3.041 1.00 1.40 H new ATOM 232 N GLN A 17 6.089 11.568 1.724 1.00 0.73 N ATOM 233 CA GLN A 17 6.438 10.153 1.739 1.00 0.71 C ATOM 234 C GLN A 17 5.663 9.359 0.698 1.00 0.57 C ATOM 235 O GLN A 17 6.227 8.501 0.029 1.00 0.51 O ATOM 236 CB GLN A 17 6.237 9.554 3.128 1.00 0.86 C ATOM 237 CG GLN A 17 7.196 10.124 4.160 1.00 1.20 C ATOM 238 CD GLN A 17 7.340 9.237 5.376 1.00 1.35 C ATOM 239 OE1 GLN A 17 8.534 8.689 5.558 1.00 2.20 O flip ATOM 240 NE2 GLN A 17 6.390 9.039 6.136 1.00 1.36 N flip ATOM 0 H GLN A 17 5.605 11.897 2.559 1.00 0.73 H new ATOM 0 HA GLN A 17 7.495 10.085 1.480 1.00 0.71 H new ATOM 0 HB2 GLN A 17 5.212 9.735 3.452 1.00 0.86 H new ATOM 0 HB3 GLN A 17 6.368 8.473 3.075 1.00 0.86 H new ATOM 0 HG2 GLN A 17 8.174 10.266 3.701 1.00 1.20 H new ATOM 0 HG3 GLN A 17 6.845 11.107 4.472 1.00 1.20 H new ATOM 0 HE21 GLN A 17 5.490 9.483 5.954 1.00 1.36 H new ATOM 0 HE22 GLN A 17 6.504 8.431 6.947 1.00 1.36 H new ATOM 249 N VAL A 18 4.376 9.640 0.546 1.00 0.57 N ATOM 250 CA VAL A 18 3.578 8.924 -0.442 1.00 0.53 C ATOM 251 C VAL A 18 4.270 8.969 -1.802 1.00 0.49 C ATOM 252 O VAL A 18 4.395 7.950 -2.481 1.00 0.51 O ATOM 253 CB VAL A 18 2.147 9.493 -0.565 1.00 0.62 C ATOM 254 CG1 VAL A 18 2.160 10.907 -1.123 1.00 1.10 C ATOM 255 CG2 VAL A 18 1.285 8.584 -1.428 1.00 1.25 C ATOM 0 H VAL A 18 3.869 10.344 1.082 1.00 0.57 H new ATOM 0 HA VAL A 18 3.492 7.892 -0.102 1.00 0.53 H new ATOM 0 HB VAL A 18 1.716 9.535 0.435 1.00 0.62 H new ATOM 0 HG11 VAL A 18 1.138 11.278 -1.197 1.00 1.10 H new ATOM 0 HG12 VAL A 18 2.734 11.554 -0.460 1.00 1.10 H new ATOM 0 HG13 VAL A 18 2.617 10.904 -2.112 1.00 1.10 H new ATOM 0 HG21 VAL A 18 0.280 9.000 -1.504 1.00 1.25 H new ATOM 0 HG22 VAL A 18 1.722 8.506 -2.424 1.00 1.25 H new ATOM 0 HG23 VAL A 18 1.234 7.594 -0.976 1.00 1.25 H new ATOM 265 N ASN A 19 4.743 10.155 -2.183 1.00 0.52 N ATOM 266 CA ASN A 19 5.441 10.329 -3.448 1.00 0.57 C ATOM 267 C ASN A 19 6.784 9.610 -3.430 1.00 0.50 C ATOM 268 O ASN A 19 7.339 9.296 -4.482 1.00 0.52 O ATOM 269 CB ASN A 19 5.645 11.816 -3.750 1.00 0.72 C ATOM 270 CG ASN A 19 4.338 12.560 -3.969 1.00 1.26 C ATOM 271 OD1 ASN A 19 3.217 11.842 -3.914 1.00 1.96 O flip ATOM 272 ND2 ASN A 19 4.333 13.771 -4.187 1.00 1.71 N flip ATOM 0 H ASN A 19 4.653 11.008 -1.631 1.00 0.52 H new ATOM 0 HA ASN A 19 4.826 9.892 -4.234 1.00 0.57 H new ATOM 0 HB2 ASN A 19 6.186 12.278 -2.925 1.00 0.72 H new ATOM 0 HB3 ASN A 19 6.269 11.919 -4.638 1.00 0.72 H new ATOM 0 HD21 ASN A 19 5.212 14.287 -4.222 1.00 1.71 H new ATOM 0 HD22 ASN A 19 3.449 14.259 -4.333 1.00 1.71 H new ATOM 279 N ALA A 20 7.302 9.340 -2.234 1.00 0.49 N ATOM 280 CA ALA A 20 8.576 8.644 -2.106 1.00 0.49 C ATOM 281 C ALA A 20 8.503 7.292 -2.796 1.00 0.42 C ATOM 282 O ALA A 20 9.322 6.972 -3.664 1.00 0.48 O ATOM 283 CB ALA A 20 8.946 8.470 -0.639 1.00 0.57 C ATOM 0 H ALA A 20 6.863 9.591 -1.348 1.00 0.49 H new ATOM 0 HA ALA A 20 9.350 9.243 -2.586 1.00 0.49 H new ATOM 0 HB1 ALA A 20 9.900 7.948 -0.564 1.00 0.57 H new ATOM 0 HB2 ALA A 20 9.029 9.449 -0.166 1.00 0.57 H new ATOM 0 HB3 ALA A 20 8.174 7.888 -0.136 1.00 0.57 H new ATOM 289 N ALA A 21 7.501 6.507 -2.422 1.00 0.41 N ATOM 290 CA ALA A 21 7.305 5.199 -3.021 1.00 0.45 C ATOM 291 C ALA A 21 6.944 5.359 -4.484 1.00 0.36 C ATOM 292 O ALA A 21 7.178 4.467 -5.290 1.00 0.40 O ATOM 293 CB ALA A 21 6.209 4.432 -2.302 1.00 0.64 C ATOM 0 H ALA A 21 6.815 6.755 -1.709 1.00 0.41 H new ATOM 0 HA ALA A 21 8.233 4.635 -2.932 1.00 0.45 H new ATOM 0 HB1 ALA A 21 6.081 3.456 -2.770 1.00 0.64 H new ATOM 0 HB2 ALA A 21 6.484 4.300 -1.255 1.00 0.64 H new ATOM 0 HB3 ALA A 21 5.274 4.989 -2.364 1.00 0.64 H new ATOM 299 N LEU A 22 6.372 6.518 -4.813 1.00 0.40 N ATOM 300 CA LEU A 22 5.976 6.823 -6.182 1.00 0.47 C ATOM 301 C LEU A 22 7.194 6.879 -7.098 1.00 0.44 C ATOM 302 O LEU A 22 7.196 6.272 -8.169 1.00 0.53 O ATOM 303 CB LEU A 22 5.204 8.145 -6.227 1.00 0.64 C ATOM 304 CG LEU A 22 3.679 8.015 -6.171 1.00 1.16 C ATOM 305 CD1 LEU A 22 3.147 7.405 -7.459 1.00 1.74 C ATOM 306 CD2 LEU A 22 3.248 7.176 -4.976 1.00 1.73 C ATOM 0 H LEU A 22 6.173 7.262 -4.144 1.00 0.40 H new ATOM 0 HA LEU A 22 5.323 6.027 -6.539 1.00 0.47 H new ATOM 0 HB2 LEU A 22 5.530 8.766 -5.392 1.00 0.64 H new ATOM 0 HB3 LEU A 22 5.474 8.673 -7.141 1.00 0.64 H new ATOM 0 HG LEU A 22 3.261 9.015 -6.058 1.00 1.16 H new ATOM 0 HD11 LEU A 22 2.062 7.321 -7.400 1.00 1.74 H new ATOM 0 HD12 LEU A 22 3.417 8.042 -8.302 1.00 1.74 H new ATOM 0 HD13 LEU A 22 3.581 6.415 -7.599 1.00 1.74 H new ATOM 0 HD21 LEU A 22 2.161 7.099 -4.959 1.00 1.73 H new ATOM 0 HD22 LEU A 22 3.681 6.179 -5.056 1.00 1.73 H new ATOM 0 HD23 LEU A 22 3.593 7.649 -4.056 1.00 1.73 H new ATOM 318 N LYS A 23 8.239 7.587 -6.665 1.00 0.43 N ATOM 319 CA LYS A 23 9.463 7.680 -7.453 1.00 0.52 C ATOM 320 C LYS A 23 9.989 6.284 -7.740 1.00 0.47 C ATOM 321 O LYS A 23 10.465 5.997 -8.841 1.00 0.56 O ATOM 322 CB LYS A 23 10.527 8.509 -6.727 1.00 0.61 C ATOM 323 CG LYS A 23 10.413 10.009 -6.968 1.00 1.13 C ATOM 324 CD LYS A 23 9.067 10.555 -6.526 1.00 1.51 C ATOM 325 CE LYS A 23 8.953 12.047 -6.799 1.00 2.12 C ATOM 326 NZ LYS A 23 9.058 12.355 -8.253 1.00 2.74 N ATOM 0 H LYS A 23 8.260 8.098 -5.783 1.00 0.43 H new ATOM 0 HA LYS A 23 9.233 8.183 -8.393 1.00 0.52 H new ATOM 0 HB2 LYS A 23 10.455 8.317 -5.657 1.00 0.61 H new ATOM 0 HB3 LYS A 23 11.514 8.174 -7.046 1.00 0.61 H new ATOM 0 HG2 LYS A 23 11.208 10.524 -6.429 1.00 1.13 H new ATOM 0 HG3 LYS A 23 10.559 10.218 -8.028 1.00 1.13 H new ATOM 0 HD2 LYS A 23 8.270 10.027 -7.049 1.00 1.51 H new ATOM 0 HD3 LYS A 23 8.929 10.367 -5.461 1.00 1.51 H new ATOM 0 HE2 LYS A 23 8.000 12.414 -6.418 1.00 2.12 H new ATOM 0 HE3 LYS A 23 9.738 12.576 -6.258 1.00 2.12 H new ATOM 0 HZ1 LYS A 23 8.728 13.326 -8.427 1.00 2.74 H new ATOM 0 HZ2 LYS A 23 10.049 12.267 -8.556 1.00 2.74 H new ATOM 0 HZ3 LYS A 23 8.471 11.687 -8.793 1.00 2.74 H new ATOM 340 N ALA A 24 9.867 5.406 -6.749 1.00 0.40 N ATOM 341 CA ALA A 24 10.291 4.033 -6.890 1.00 0.43 C ATOM 342 C ALA A 24 9.231 3.248 -7.634 1.00 0.38 C ATOM 343 O ALA A 24 9.550 2.302 -8.323 1.00 0.46 O ATOM 344 CB ALA A 24 10.567 3.419 -5.526 1.00 0.51 C ATOM 0 H ALA A 24 9.473 5.632 -5.835 1.00 0.40 H new ATOM 0 HA ALA A 24 11.217 4.000 -7.464 1.00 0.43 H new ATOM 0 HB1 ALA A 24 10.885 2.384 -5.651 1.00 0.51 H new ATOM 0 HB2 ALA A 24 11.354 3.983 -5.026 1.00 0.51 H new ATOM 0 HB3 ALA A 24 9.659 3.449 -4.923 1.00 0.51 H new ATOM 350 N LEU A 25 7.972 3.668 -7.511 1.00 0.43 N ATOM 351 CA LEU A 25 6.878 2.994 -8.203 1.00 0.40 C ATOM 352 C LEU A 25 7.090 3.112 -9.696 1.00 0.37 C ATOM 353 O LEU A 25 6.576 2.314 -10.479 1.00 0.45 O ATOM 354 CB LEU A 25 5.516 3.534 -7.799 1.00 0.47 C ATOM 355 CG LEU A 25 4.342 2.673 -8.256 1.00 0.56 C ATOM 356 CD1 LEU A 25 4.405 1.309 -7.588 1.00 0.96 C ATOM 357 CD2 LEU A 25 3.029 3.373 -7.941 1.00 1.04 C ATOM 0 H LEU A 25 7.687 4.466 -6.943 1.00 0.43 H new ATOM 0 HA LEU A 25 6.886 1.943 -7.913 1.00 0.40 H new ATOM 0 HB2 LEU A 25 5.482 3.628 -6.714 1.00 0.47 H new ATOM 0 HB3 LEU A 25 5.399 4.537 -8.210 1.00 0.47 H new ATOM 0 HG LEU A 25 4.402 2.528 -9.335 1.00 0.56 H new ATOM 0 HD11 LEU A 25 3.563 0.702 -7.920 1.00 0.96 H new ATOM 0 HD12 LEU A 25 5.338 0.814 -7.858 1.00 0.96 H new ATOM 0 HD13 LEU A 25 4.359 1.431 -6.506 1.00 0.96 H new ATOM 0 HD21 LEU A 25 2.197 2.751 -8.271 1.00 1.04 H new ATOM 0 HD22 LEU A 25 2.954 3.539 -6.866 1.00 1.04 H new ATOM 0 HD23 LEU A 25 2.994 4.331 -8.460 1.00 1.04 H new ATOM 369 N GLY A 26 7.978 4.032 -10.060 1.00 0.43 N ATOM 370 CA GLY A 26 8.415 4.146 -11.431 1.00 0.53 C ATOM 371 C GLY A 26 9.571 3.193 -11.464 1.00 0.56 C ATOM 372 O GLY A 26 10.711 3.510 -11.804 1.00 0.82 O ATOM 0 H GLY A 26 8.403 4.704 -9.421 1.00 0.43 H new ATOM 0 HA2 GLY A 26 7.632 3.864 -12.135 1.00 0.53 H new ATOM 0 HA3 GLY A 26 8.716 5.163 -11.681 1.00 0.53 H new ATOM 376 N ASP A 27 9.212 2.050 -10.917 1.00 0.59 N ATOM 377 CA ASP A 27 10.062 0.938 -10.610 1.00 0.76 C ATOM 378 C ASP A 27 10.929 0.396 -11.704 1.00 0.56 C ATOM 379 O ASP A 27 10.860 0.725 -12.888 1.00 0.81 O ATOM 380 CB ASP A 27 9.205 -0.210 -10.073 1.00 1.35 C ATOM 381 CG ASP A 27 8.851 -0.088 -8.603 1.00 2.02 C ATOM 382 OD1 ASP A 27 9.775 -0.121 -7.766 1.00 2.61 O ATOM 383 OD2 ASP A 27 7.649 0.043 -8.288 1.00 2.42 O ATOM 0 H ASP A 27 8.242 1.869 -10.659 1.00 0.59 H new ATOM 0 HA ASP A 27 10.764 1.349 -9.884 1.00 0.76 H new ATOM 0 HB2 ASP A 27 8.284 -0.263 -10.654 1.00 1.35 H new ATOM 0 HB3 ASP A 27 9.736 -1.149 -10.231 1.00 1.35 H new ATOM 388 N ILE A 28 11.745 -0.465 -11.166 1.00 0.51 N ATOM 389 CA ILE A 28 12.763 -1.243 -11.819 1.00 0.51 C ATOM 390 C ILE A 28 12.391 -1.682 -13.233 1.00 0.49 C ATOM 391 O ILE A 28 11.226 -1.668 -13.626 1.00 0.48 O ATOM 392 CB ILE A 28 13.019 -2.500 -10.959 1.00 0.71 C ATOM 393 CG1 ILE A 28 11.864 -2.699 -9.942 1.00 0.82 C ATOM 394 CG2 ILE A 28 14.364 -2.404 -10.251 1.00 0.83 C ATOM 395 CD1 ILE A 28 11.982 -1.879 -8.664 1.00 1.26 C ATOM 0 H ILE A 28 11.712 -0.659 -10.165 1.00 0.51 H new ATOM 0 HA ILE A 28 13.647 -0.612 -11.914 1.00 0.51 H new ATOM 0 HB ILE A 28 13.050 -3.371 -11.614 1.00 0.71 H new ATOM 0 HG12 ILE A 28 10.923 -2.448 -10.431 1.00 0.82 H new ATOM 0 HG13 ILE A 28 11.813 -3.755 -9.675 1.00 0.82 H new ATOM 0 HG21 ILE A 28 14.524 -3.300 -9.651 1.00 0.83 H new ATOM 0 HG22 ILE A 28 15.159 -2.316 -10.991 1.00 0.83 H new ATOM 0 HG23 ILE A 28 14.373 -1.527 -9.604 1.00 0.83 H new ATOM 0 HD11 ILE A 28 11.129 -2.087 -8.018 1.00 1.26 H new ATOM 0 HD12 ILE A 28 12.903 -2.144 -8.145 1.00 1.26 H new ATOM 0 HD13 ILE A 28 11.999 -0.818 -8.913 1.00 1.26 H new ATOM 407 N PRO A 29 13.410 -2.091 -14.009 1.00 0.68 N ATOM 408 CA PRO A 29 13.237 -2.549 -15.388 1.00 0.83 C ATOM 409 C PRO A 29 12.281 -3.728 -15.465 1.00 0.70 C ATOM 410 O PRO A 29 11.612 -3.942 -16.477 1.00 0.88 O ATOM 411 CB PRO A 29 14.648 -2.975 -15.813 1.00 1.07 C ATOM 412 CG PRO A 29 15.567 -2.285 -14.861 1.00 1.14 C ATOM 413 CD PRO A 29 14.814 -2.157 -13.576 1.00 0.87 C ATOM 0 HA PRO A 29 12.811 -1.777 -16.029 1.00 0.83 H new ATOM 0 HB2 PRO A 29 14.766 -4.057 -15.760 1.00 1.07 H new ATOM 0 HB3 PRO A 29 14.855 -2.682 -16.842 1.00 1.07 H new ATOM 0 HG2 PRO A 29 16.484 -2.858 -14.720 1.00 1.14 H new ATOM 0 HG3 PRO A 29 15.858 -1.306 -15.241 1.00 1.14 H new ATOM 0 HD2 PRO A 29 14.992 -3.008 -12.919 1.00 0.87 H new ATOM 0 HD3 PRO A 29 15.107 -1.263 -13.026 1.00 0.87 H new ATOM 421 N GLU A 30 12.221 -4.481 -14.375 1.00 0.54 N ATOM 422 CA GLU A 30 11.346 -5.636 -14.284 1.00 0.58 C ATOM 423 C GLU A 30 9.934 -5.202 -13.911 1.00 0.60 C ATOM 424 O GLU A 30 8.950 -5.807 -14.341 1.00 1.01 O ATOM 425 CB GLU A 30 11.887 -6.619 -13.246 1.00 0.62 C ATOM 426 CG GLU A 30 13.245 -7.204 -13.606 1.00 0.63 C ATOM 427 CD GLU A 30 13.205 -8.064 -14.857 1.00 1.39 C ATOM 428 OE1 GLU A 30 12.106 -8.234 -15.425 1.00 2.35 O ATOM 429 OE2 GLU A 30 14.273 -8.563 -15.274 1.00 1.66 O ATOM 0 H GLU A 30 12.774 -4.308 -13.536 1.00 0.54 H new ATOM 0 HA GLU A 30 11.312 -6.129 -15.255 1.00 0.58 H new ATOM 0 HB2 GLU A 30 11.963 -6.112 -12.284 1.00 0.62 H new ATOM 0 HB3 GLU A 30 11.172 -7.433 -13.122 1.00 0.62 H new ATOM 0 HG2 GLU A 30 13.958 -6.392 -13.752 1.00 0.63 H new ATOM 0 HG3 GLU A 30 13.610 -7.802 -12.771 1.00 0.63 H new ATOM 436 N SER A 31 9.846 -4.144 -13.109 1.00 0.36 N ATOM 437 CA SER A 31 8.562 -3.613 -12.677 1.00 0.34 C ATOM 438 C SER A 31 8.094 -2.519 -13.628 1.00 0.36 C ATOM 439 O SER A 31 8.820 -2.136 -14.546 1.00 0.46 O ATOM 440 CB SER A 31 8.668 -3.074 -11.256 1.00 0.37 C ATOM 441 OG SER A 31 9.098 -4.081 -10.359 1.00 0.83 O ATOM 0 H SER A 31 10.654 -3.638 -12.746 1.00 0.36 H new ATOM 0 HA SER A 31 7.828 -4.418 -12.690 1.00 0.34 H new ATOM 0 HB2 SER A 31 9.368 -2.239 -11.232 1.00 0.37 H new ATOM 0 HB3 SER A 31 7.700 -2.688 -10.937 1.00 0.37 H new ATOM 0 HG SER A 31 8.861 -3.826 -9.443 1.00 0.83 H new ATOM 447 N HIS A 32 6.874 -2.023 -13.416 1.00 0.33 N ATOM 448 CA HIS A 32 6.323 -0.981 -14.274 1.00 0.39 C ATOM 449 C HIS A 32 4.952 -0.539 -13.777 1.00 0.34 C ATOM 450 O HIS A 32 4.043 -1.356 -13.634 1.00 0.36 O ATOM 451 CB HIS A 32 6.230 -1.493 -15.714 1.00 0.51 C ATOM 452 CG HIS A 32 5.734 -0.481 -16.699 1.00 0.94 C ATOM 453 ND1 HIS A 32 4.433 -0.036 -16.728 1.00 1.83 N ATOM 454 CD2 HIS A 32 6.378 0.176 -17.694 1.00 1.60 C ATOM 455 CE1 HIS A 32 4.293 0.851 -17.697 1.00 2.29 C ATOM 456 NE2 HIS A 32 5.458 0.999 -18.299 1.00 2.07 N ATOM 0 H HIS A 32 6.255 -2.325 -12.663 1.00 0.33 H new ATOM 0 HA HIS A 32 6.986 -0.117 -14.245 1.00 0.39 H new ATOM 0 HB2 HIS A 32 7.215 -1.836 -16.029 1.00 0.51 H new ATOM 0 HB3 HIS A 32 5.568 -2.359 -15.737 1.00 0.51 H new ATOM 0 HD1 HIS A 32 3.691 -0.343 -16.099 1.00 1.83 H new ATOM 0 HD2 HIS A 32 7.419 0.072 -17.962 1.00 1.60 H new ATOM 0 HE1 HIS A 32 3.380 1.368 -17.953 1.00 2.29 H new ATOM 465 N ILE A 33 4.812 0.753 -13.517 1.00 0.36 N ATOM 466 CA ILE A 33 3.553 1.310 -13.038 1.00 0.36 C ATOM 467 C ILE A 33 2.378 0.895 -13.924 1.00 0.38 C ATOM 468 O ILE A 33 2.532 0.708 -15.127 1.00 0.50 O ATOM 469 CB ILE A 33 3.649 2.847 -12.964 1.00 0.53 C ATOM 470 CG1 ILE A 33 3.491 3.303 -11.516 1.00 0.58 C ATOM 471 CG2 ILE A 33 2.612 3.519 -13.859 1.00 0.93 C ATOM 472 CD1 ILE A 33 2.093 3.113 -10.980 1.00 1.05 C ATOM 0 H ILE A 33 5.558 1.439 -13.630 1.00 0.36 H new ATOM 0 HA ILE A 33 3.370 0.912 -12.040 1.00 0.36 H new ATOM 0 HB ILE A 33 4.631 3.146 -13.329 1.00 0.53 H new ATOM 0 HG12 ILE A 33 4.191 2.750 -10.890 1.00 0.58 H new ATOM 0 HG13 ILE A 33 3.761 4.356 -11.443 1.00 0.58 H new ATOM 0 HG21 ILE A 33 2.710 4.602 -13.780 1.00 0.93 H new ATOM 0 HG22 ILE A 33 2.772 3.214 -14.893 1.00 0.93 H new ATOM 0 HG23 ILE A 33 1.612 3.222 -13.544 1.00 0.93 H new ATOM 0 HD11 ILE A 33 2.050 3.457 -9.947 1.00 1.05 H new ATOM 0 HD12 ILE A 33 1.391 3.688 -11.584 1.00 1.05 H new ATOM 0 HD13 ILE A 33 1.828 2.057 -11.022 1.00 1.05 H new ATOM 484 N LEU A 34 1.201 0.746 -13.320 1.00 0.38 N ATOM 485 CA LEU A 34 0.014 0.344 -14.067 1.00 0.50 C ATOM 486 C LEU A 34 -1.240 1.051 -13.540 1.00 0.46 C ATOM 487 O LEU A 34 -1.988 1.650 -14.313 1.00 0.60 O ATOM 488 CB LEU A 34 -0.139 -1.183 -14.006 1.00 0.65 C ATOM 489 CG LEU A 34 -1.177 -1.804 -14.954 1.00 1.01 C ATOM 490 CD1 LEU A 34 -2.594 -1.482 -14.509 1.00 1.69 C ATOM 491 CD2 LEU A 34 -0.946 -1.331 -16.383 1.00 1.34 C ATOM 0 H LEU A 34 1.045 0.896 -12.323 1.00 0.38 H new ATOM 0 HA LEU A 34 0.135 0.643 -15.108 1.00 0.50 H new ATOM 0 HB2 LEU A 34 0.831 -1.632 -14.220 1.00 0.65 H new ATOM 0 HB3 LEU A 34 -0.400 -1.460 -12.985 1.00 0.65 H new ATOM 0 HG LEU A 34 -1.054 -2.887 -14.920 1.00 1.01 H new ATOM 0 HD11 LEU A 34 -3.304 -1.936 -15.200 1.00 1.69 H new ATOM 0 HD12 LEU A 34 -2.760 -1.878 -13.507 1.00 1.69 H new ATOM 0 HD13 LEU A 34 -2.736 -0.401 -14.500 1.00 1.69 H new ATOM 0 HD21 LEU A 34 -1.690 -1.781 -17.040 1.00 1.34 H new ATOM 0 HD22 LEU A 34 -1.033 -0.245 -16.426 1.00 1.34 H new ATOM 0 HD23 LEU A 34 0.051 -1.628 -16.708 1.00 1.34 H new ATOM 503 N THR A 35 -1.469 0.981 -12.229 1.00 0.46 N ATOM 504 CA THR A 35 -2.642 1.620 -11.626 1.00 0.43 C ATOM 505 C THR A 35 -2.359 2.111 -10.211 1.00 0.43 C ATOM 506 O THR A 35 -1.897 1.356 -9.359 1.00 0.52 O ATOM 507 CB THR A 35 -3.828 0.655 -11.598 1.00 0.49 C ATOM 508 OG1 THR A 35 -3.396 -0.662 -11.314 1.00 0.68 O ATOM 509 CG2 THR A 35 -4.609 0.622 -12.894 1.00 0.72 C ATOM 0 H THR A 35 -0.865 0.493 -11.568 1.00 0.46 H new ATOM 0 HA THR A 35 -2.886 2.483 -12.246 1.00 0.43 H new ATOM 0 HB THR A 35 -4.486 1.029 -10.813 1.00 0.49 H new ATOM 0 HG1 THR A 35 -4.175 -1.252 -11.236 1.00 0.68 H new ATOM 0 HG21 THR A 35 -5.435 -0.083 -12.803 1.00 0.72 H new ATOM 0 HG22 THR A 35 -5.002 1.616 -13.107 1.00 0.72 H new ATOM 0 HG23 THR A 35 -3.953 0.309 -13.706 1.00 0.72 H new ATOM 517 N VAL A 36 -2.669 3.378 -9.964 1.00 0.40 N ATOM 518 CA VAL A 36 -2.478 3.973 -8.649 1.00 0.46 C ATOM 519 C VAL A 36 -3.361 5.205 -8.480 1.00 0.48 C ATOM 520 O VAL A 36 -3.196 6.206 -9.177 1.00 0.56 O ATOM 521 CB VAL A 36 -1.007 4.358 -8.390 1.00 0.58 C ATOM 522 CG1 VAL A 36 -0.508 5.328 -9.445 1.00 1.32 C ATOM 523 CG2 VAL A 36 -0.850 4.955 -7.001 1.00 1.45 C ATOM 0 H VAL A 36 -3.055 4.015 -10.661 1.00 0.40 H new ATOM 0 HA VAL A 36 -2.763 3.215 -7.919 1.00 0.46 H new ATOM 0 HB VAL A 36 -0.403 3.452 -8.449 1.00 0.58 H new ATOM 0 HG11 VAL A 36 0.532 5.585 -9.241 1.00 1.32 H new ATOM 0 HG12 VAL A 36 -0.581 4.865 -10.429 1.00 1.32 H new ATOM 0 HG13 VAL A 36 -1.116 6.233 -9.424 1.00 1.32 H new ATOM 0 HG21 VAL A 36 0.194 5.221 -6.835 1.00 1.45 H new ATOM 0 HG22 VAL A 36 -1.470 5.848 -6.917 1.00 1.45 H new ATOM 0 HG23 VAL A 36 -1.162 4.225 -6.254 1.00 1.45 H new ATOM 533 N SER A 37 -4.306 5.122 -7.552 1.00 0.45 N ATOM 534 CA SER A 37 -5.217 6.231 -7.296 1.00 0.54 C ATOM 535 C SER A 37 -6.045 5.963 -6.047 1.00 0.57 C ATOM 536 O SER A 37 -5.633 5.200 -5.173 1.00 1.08 O ATOM 537 CB SER A 37 -6.138 6.455 -8.500 1.00 0.65 C ATOM 538 OG SER A 37 -6.924 5.307 -8.764 1.00 1.28 O ATOM 0 H SER A 37 -4.462 4.302 -6.966 1.00 0.45 H new ATOM 0 HA SER A 37 -4.624 7.132 -7.136 1.00 0.54 H new ATOM 0 HB2 SER A 37 -6.789 7.309 -8.310 1.00 0.65 H new ATOM 0 HB3 SER A 37 -5.540 6.699 -9.378 1.00 0.65 H new ATOM 0 HG SER A 37 -7.503 5.478 -9.536 1.00 1.28 H new ATOM 544 N SER A 38 -7.214 6.590 -5.972 1.00 0.59 N ATOM 545 CA SER A 38 -8.099 6.415 -4.830 1.00 0.59 C ATOM 546 C SER A 38 -7.415 6.850 -3.539 1.00 0.52 C ATOM 547 O SER A 38 -7.224 6.050 -2.622 1.00 0.63 O ATOM 548 CB SER A 38 -8.545 4.952 -4.731 1.00 0.78 C ATOM 549 OG SER A 38 -9.270 4.561 -5.884 1.00 1.68 O ATOM 0 H SER A 38 -7.569 7.223 -6.689 1.00 0.59 H new ATOM 0 HA SER A 38 -8.977 7.044 -4.975 1.00 0.59 H new ATOM 0 HB2 SER A 38 -7.672 4.310 -4.611 1.00 0.78 H new ATOM 0 HB3 SER A 38 -9.165 4.817 -3.845 1.00 0.78 H new ATOM 0 HG SER A 38 -9.170 3.596 -6.022 1.00 1.68 H new ATOM 555 N PHE A 39 -7.058 8.131 -3.469 1.00 0.44 N ATOM 556 CA PHE A 39 -6.409 8.682 -2.284 1.00 0.50 C ATOM 557 C PHE A 39 -7.426 8.836 -1.163 1.00 0.57 C ATOM 558 O PHE A 39 -8.238 9.759 -1.173 1.00 0.75 O ATOM 559 CB PHE A 39 -5.765 10.037 -2.596 1.00 0.59 C ATOM 560 CG PHE A 39 -4.626 9.972 -3.580 1.00 0.59 C ATOM 561 CD1 PHE A 39 -4.775 9.342 -4.807 1.00 0.65 C ATOM 562 CD2 PHE A 39 -3.402 10.547 -3.272 1.00 0.83 C ATOM 563 CE1 PHE A 39 -3.725 9.287 -5.705 1.00 0.98 C ATOM 564 CE2 PHE A 39 -2.350 10.494 -4.166 1.00 1.19 C ATOM 565 CZ PHE A 39 -2.511 9.862 -5.385 1.00 1.26 C ATOM 0 H PHE A 39 -7.208 8.806 -4.219 1.00 0.44 H new ATOM 0 HA PHE A 39 -5.625 7.994 -1.968 1.00 0.50 H new ATOM 0 HB2 PHE A 39 -6.530 10.708 -2.988 1.00 0.59 H new ATOM 0 HB3 PHE A 39 -5.402 10.476 -1.667 1.00 0.59 H new ATOM 0 HD1 PHE A 39 -5.721 8.890 -5.064 1.00 0.65 H new ATOM 0 HD2 PHE A 39 -3.270 11.042 -2.321 1.00 0.83 H new ATOM 0 HE1 PHE A 39 -3.854 8.794 -6.657 1.00 0.98 H new ATOM 0 HE2 PHE A 39 -1.402 10.946 -3.913 1.00 1.19 H new ATOM 0 HZ PHE A 39 -1.690 9.818 -6.085 1.00 1.26 H new ATOM 575 N TYR A 40 -7.395 7.919 -0.206 1.00 0.65 N ATOM 576 CA TYR A 40 -8.335 7.955 0.904 1.00 0.81 C ATOM 577 C TYR A 40 -7.694 8.526 2.165 1.00 0.71 C ATOM 578 O TYR A 40 -6.489 8.798 2.208 1.00 0.71 O ATOM 579 CB TYR A 40 -8.856 6.545 1.191 1.00 1.01 C ATOM 580 CG TYR A 40 -7.832 5.667 1.868 1.00 1.49 C ATOM 581 CD1 TYR A 40 -7.596 5.775 3.232 1.00 2.39 C ATOM 582 CD2 TYR A 40 -7.090 4.747 1.143 1.00 1.73 C ATOM 583 CE1 TYR A 40 -6.653 4.993 3.855 1.00 3.35 C ATOM 584 CE2 TYR A 40 -6.140 3.962 1.762 1.00 2.61 C ATOM 585 CZ TYR A 40 -5.927 4.090 3.118 1.00 3.41 C ATOM 586 OH TYR A 40 -4.974 3.315 3.739 1.00 4.43 O ATOM 0 H TYR A 40 -6.732 7.144 -0.176 1.00 0.65 H new ATOM 0 HA TYR A 40 -9.161 8.606 0.618 1.00 0.81 H new ATOM 0 HB2 TYR A 40 -9.743 6.612 1.821 1.00 1.01 H new ATOM 0 HB3 TYR A 40 -9.164 6.079 0.255 1.00 1.01 H new ATOM 0 HD1 TYR A 40 -8.164 6.486 3.814 1.00 2.39 H new ATOM 0 HD2 TYR A 40 -7.258 4.644 0.081 1.00 1.73 H new ATOM 0 HE1 TYR A 40 -6.484 5.088 4.917 1.00 3.35 H new ATOM 0 HE2 TYR A 40 -5.566 3.250 1.187 1.00 2.61 H new ATOM 0 HH TYR A 40 -4.893 2.458 3.270 1.00 4.43 H new ATOM 596 N ARG A 41 -8.524 8.676 3.195 1.00 0.70 N ATOM 597 CA ARG A 41 -8.090 9.187 4.489 1.00 0.67 C ATOM 598 C ARG A 41 -8.508 8.222 5.595 1.00 0.64 C ATOM 599 O ARG A 41 -9.484 7.484 5.444 1.00 0.70 O ATOM 600 CB ARG A 41 -8.711 10.560 4.742 1.00 0.79 C ATOM 601 CG ARG A 41 -8.195 11.245 5.999 1.00 0.95 C ATOM 602 CD ARG A 41 -8.864 12.594 6.207 1.00 1.52 C ATOM 603 NE ARG A 41 -10.309 12.465 6.386 1.00 2.11 N ATOM 604 CZ ARG A 41 -11.128 13.500 6.545 1.00 2.49 C ATOM 605 NH1 ARG A 41 -10.651 14.738 6.536 1.00 2.37 N ATOM 606 NH2 ARG A 41 -12.427 13.297 6.714 1.00 3.51 N ATOM 0 H ARG A 41 -9.517 8.446 3.154 1.00 0.70 H new ATOM 0 HA ARG A 41 -7.004 9.281 4.486 1.00 0.67 H new ATOM 0 HB2 ARG A 41 -8.514 11.201 3.883 1.00 0.79 H new ATOM 0 HB3 ARG A 41 -9.793 10.451 4.817 1.00 0.79 H new ATOM 0 HG2 ARG A 41 -8.379 10.608 6.864 1.00 0.95 H new ATOM 0 HG3 ARG A 41 -7.116 11.379 5.926 1.00 0.95 H new ATOM 0 HD2 ARG A 41 -8.432 13.082 7.081 1.00 1.52 H new ATOM 0 HD3 ARG A 41 -8.660 13.236 5.350 1.00 1.52 H new ATOM 0 HE ARG A 41 -10.712 11.528 6.389 1.00 2.11 H new ATOM 0 HH11 ARG A 41 -9.652 14.899 6.407 1.00 2.37 H new ATOM 0 HH12 ARG A 41 -11.283 15.529 6.658 1.00 2.37 H new ATOM 0 HH21 ARG A 41 -12.798 12.347 6.722 1.00 3.51 H new ATOM 0 HH22 ARG A 41 -13.056 14.091 6.836 1.00 3.51 H new ATOM 620 N THR A 42 -7.779 8.229 6.705 1.00 0.80 N ATOM 621 CA THR A 42 -8.097 7.349 7.824 1.00 0.97 C ATOM 622 C THR A 42 -7.592 7.927 9.145 1.00 1.03 C ATOM 623 O THR A 42 -6.451 8.378 9.239 1.00 1.12 O ATOM 624 CB THR A 42 -7.496 5.960 7.598 1.00 1.17 C ATOM 625 OG1 THR A 42 -8.042 5.361 6.437 1.00 1.44 O ATOM 626 CG2 THR A 42 -7.725 5.009 8.754 1.00 1.32 C ATOM 0 H THR A 42 -6.969 8.830 6.854 1.00 0.80 H new ATOM 0 HA THR A 42 -9.182 7.264 7.882 1.00 0.97 H new ATOM 0 HB THR A 42 -6.424 6.125 7.493 1.00 1.17 H new ATOM 0 HG1 THR A 42 -7.718 5.833 5.642 1.00 1.44 H new ATOM 0 HG21 THR A 42 -7.273 4.044 8.526 1.00 1.32 H new ATOM 0 HG22 THR A 42 -7.272 5.418 9.657 1.00 1.32 H new ATOM 0 HG23 THR A 42 -8.796 4.880 8.912 1.00 1.32 H new ATOM 634 N PRO A 43 -8.442 7.915 10.189 1.00 1.12 N ATOM 635 CA PRO A 43 -8.080 8.431 11.504 1.00 1.31 C ATOM 636 C PRO A 43 -7.360 7.387 12.356 1.00 1.50 C ATOM 637 O PRO A 43 -7.966 6.404 12.785 1.00 1.71 O ATOM 638 CB PRO A 43 -9.436 8.775 12.110 1.00 1.48 C ATOM 639 CG PRO A 43 -10.379 7.778 11.520 1.00 1.38 C ATOM 640 CD PRO A 43 -9.824 7.396 10.168 1.00 1.15 C ATOM 0 HA PRO A 43 -7.389 9.272 11.449 1.00 1.31 H new ATOM 0 HB2 PRO A 43 -9.413 8.703 13.197 1.00 1.48 H new ATOM 0 HB3 PRO A 43 -9.733 9.795 11.864 1.00 1.48 H new ATOM 0 HG2 PRO A 43 -10.467 6.902 12.163 1.00 1.38 H new ATOM 0 HG3 PRO A 43 -11.378 8.203 11.421 1.00 1.38 H new ATOM 0 HD2 PRO A 43 -9.843 6.316 10.020 1.00 1.15 H new ATOM 0 HD3 PRO A 43 -10.404 7.839 9.359 1.00 1.15 H new ATOM 648 N PRO A 44 -6.051 7.581 12.612 1.00 1.55 N ATOM 649 CA PRO A 44 -5.257 6.645 13.415 1.00 1.80 C ATOM 650 C PRO A 44 -5.939 6.292 14.732 1.00 2.15 C ATOM 651 O PRO A 44 -6.240 5.127 14.993 1.00 2.77 O ATOM 652 CB PRO A 44 -3.959 7.412 13.672 1.00 1.80 C ATOM 653 CG PRO A 44 -3.838 8.345 12.517 1.00 1.81 C ATOM 654 CD PRO A 44 -5.245 8.724 12.139 1.00 1.54 C ATOM 0 HA PRO A 44 -5.110 5.692 12.907 1.00 1.80 H new ATOM 0 HB2 PRO A 44 -3.999 7.954 14.617 1.00 1.80 H new ATOM 0 HB3 PRO A 44 -3.105 6.738 13.728 1.00 1.80 H new ATOM 0 HG2 PRO A 44 -3.256 9.226 12.787 1.00 1.81 H new ATOM 0 HG3 PRO A 44 -3.325 7.868 11.682 1.00 1.81 H new ATOM 0 HD2 PRO A 44 -5.551 9.655 12.616 1.00 1.54 H new ATOM 0 HD3 PRO A 44 -5.346 8.868 11.063 1.00 1.54 H new ATOM 662 N LEU A 45 -6.187 7.308 15.554 1.00 2.16 N ATOM 663 CA LEU A 45 -6.841 7.115 16.844 1.00 2.52 C ATOM 664 C LEU A 45 -6.126 6.050 17.671 1.00 2.69 C ATOM 665 O LEU A 45 -6.732 5.407 18.531 1.00 3.09 O ATOM 666 CB LEU A 45 -8.307 6.718 16.636 1.00 2.75 C ATOM 667 CG LEU A 45 -9.133 7.689 15.786 1.00 3.05 C ATOM 668 CD1 LEU A 45 -10.550 7.167 15.608 1.00 3.66 C ATOM 669 CD2 LEU A 45 -9.152 9.073 16.419 1.00 3.32 C ATOM 0 H LEU A 45 -5.944 8.277 15.348 1.00 2.16 H new ATOM 0 HA LEU A 45 -6.796 8.057 17.390 1.00 2.52 H new ATOM 0 HB2 LEU A 45 -8.337 5.734 16.167 1.00 2.75 H new ATOM 0 HB3 LEU A 45 -8.782 6.621 17.612 1.00 2.75 H new ATOM 0 HG LEU A 45 -8.667 7.767 14.804 1.00 3.05 H new ATOM 0 HD11 LEU A 45 -11.123 7.869 15.002 1.00 3.66 H new ATOM 0 HD12 LEU A 45 -10.521 6.198 15.110 1.00 3.66 H new ATOM 0 HD13 LEU A 45 -11.024 7.060 16.584 1.00 3.66 H new ATOM 0 HD21 LEU A 45 -9.744 9.748 15.800 1.00 3.32 H new ATOM 0 HD22 LEU A 45 -9.593 9.012 17.414 1.00 3.32 H new ATOM 0 HD23 LEU A 45 -8.133 9.452 16.497 1.00 3.32 H new ATOM 681 N GLY A 46 -4.837 5.865 17.403 1.00 2.52 N ATOM 682 CA GLY A 46 -4.063 4.874 18.130 1.00 2.73 C ATOM 683 C GLY A 46 -2.565 5.032 17.924 1.00 2.68 C ATOM 684 O GLY A 46 -1.830 5.241 18.889 1.00 2.81 O ATOM 0 H GLY A 46 -4.315 6.383 16.696 1.00 2.52 H new ATOM 0 HA2 GLY A 46 -4.289 4.951 19.193 1.00 2.73 H new ATOM 0 HA3 GLY A 46 -4.366 3.877 17.811 1.00 2.73 H new ATOM 688 N PRO A 47 -2.082 4.934 16.668 1.00 2.59 N ATOM 689 CA PRO A 47 -0.658 5.073 16.353 1.00 2.65 C ATOM 690 C PRO A 47 -0.004 6.226 17.106 1.00 2.60 C ATOM 691 O PRO A 47 0.816 6.008 17.999 1.00 2.86 O ATOM 692 CB PRO A 47 -0.667 5.340 14.849 1.00 2.59 C ATOM 693 CG PRO A 47 -1.868 4.613 14.352 1.00 2.63 C ATOM 694 CD PRO A 47 -2.890 4.683 15.457 1.00 2.54 C ATOM 0 HA PRO A 47 -0.081 4.195 16.643 1.00 2.65 H new ATOM 0 HB2 PRO A 47 -0.731 6.407 14.635 1.00 2.59 H new ATOM 0 HB3 PRO A 47 0.244 4.974 14.375 1.00 2.59 H new ATOM 0 HG2 PRO A 47 -2.250 5.071 13.439 1.00 2.63 H new ATOM 0 HG3 PRO A 47 -1.625 3.578 14.112 1.00 2.63 H new ATOM 0 HD2 PRO A 47 -3.612 5.482 15.285 1.00 2.54 H new ATOM 0 HD3 PRO A 47 -3.455 3.755 15.539 1.00 2.54 H new ATOM 702 N GLN A 48 -0.375 7.455 16.752 1.00 2.39 N ATOM 703 CA GLN A 48 0.173 8.633 17.411 1.00 2.50 C ATOM 704 C GLN A 48 -0.949 9.461 18.029 1.00 2.40 C ATOM 705 O GLN A 48 -1.349 9.229 19.170 1.00 2.57 O ATOM 706 CB GLN A 48 0.971 9.493 16.422 1.00 2.56 C ATOM 707 CG GLN A 48 1.901 8.696 15.520 1.00 2.73 C ATOM 708 CD GLN A 48 1.180 8.052 14.347 1.00 2.73 C ATOM 709 OE1 GLN A 48 -0.080 8.429 14.133 1.00 3.26 O flip ATOM 710 NE2 GLN A 48 1.756 7.237 13.626 1.00 2.45 N flip ATOM 0 H GLN A 48 -1.050 7.658 16.015 1.00 2.39 H new ATOM 0 HA GLN A 48 0.847 8.297 18.199 1.00 2.50 H new ATOM 0 HB2 GLN A 48 0.274 10.056 15.801 1.00 2.56 H new ATOM 0 HB3 GLN A 48 1.559 10.221 16.981 1.00 2.56 H new ATOM 0 HG2 GLN A 48 2.684 9.354 15.142 1.00 2.73 H new ATOM 0 HG3 GLN A 48 2.392 7.921 16.108 1.00 2.73 H new ATOM 0 HE21 GLN A 48 2.722 6.974 13.823 1.00 2.45 H new ATOM 0 HE22 GLN A 48 1.268 6.824 12.831 1.00 2.45 H new ATOM 719 N ASP A 49 -1.455 10.421 17.258 1.00 2.45 N ATOM 720 CA ASP A 49 -2.538 11.292 17.704 1.00 2.47 C ATOM 721 C ASP A 49 -2.892 12.303 16.611 1.00 2.38 C ATOM 722 O ASP A 49 -3.680 13.222 16.830 1.00 2.57 O ATOM 723 CB ASP A 49 -2.137 12.029 18.987 1.00 2.79 C ATOM 724 CG ASP A 49 -3.303 12.746 19.642 1.00 2.83 C ATOM 725 OD1 ASP A 49 -4.443 12.589 19.158 1.00 3.28 O ATOM 726 OD2 ASP A 49 -3.077 13.476 20.631 1.00 3.02 O ATOM 0 H ASP A 49 -1.128 10.616 16.312 1.00 2.45 H new ATOM 0 HA ASP A 49 -3.413 10.675 17.911 1.00 2.47 H new ATOM 0 HB2 ASP A 49 -1.712 11.315 19.693 1.00 2.79 H new ATOM 0 HB3 ASP A 49 -1.355 12.752 18.756 1.00 2.79 H new ATOM 731 N GLN A 50 -2.297 12.125 15.434 1.00 2.26 N ATOM 732 CA GLN A 50 -2.538 13.016 14.307 1.00 2.39 C ATOM 733 C GLN A 50 -3.471 12.361 13.292 1.00 2.01 C ATOM 734 O GLN A 50 -3.040 11.536 12.488 1.00 2.19 O ATOM 735 CB GLN A 50 -1.216 13.376 13.638 1.00 3.08 C ATOM 736 CG GLN A 50 -0.211 13.981 14.598 1.00 3.45 C ATOM 737 CD GLN A 50 1.158 14.129 13.979 1.00 3.73 C ATOM 738 OE1 GLN A 50 1.351 14.908 13.045 1.00 4.34 O ATOM 739 NE2 GLN A 50 2.115 13.368 14.489 1.00 3.74 N ATOM 0 H GLN A 50 -1.642 11.368 15.238 1.00 2.26 H new ATOM 0 HA GLN A 50 -3.013 13.924 14.679 1.00 2.39 H new ATOM 0 HB2 GLN A 50 -0.787 12.480 13.189 1.00 3.08 H new ATOM 0 HB3 GLN A 50 -1.405 14.080 12.828 1.00 3.08 H new ATOM 0 HG2 GLN A 50 -0.567 14.958 14.924 1.00 3.45 H new ATOM 0 HG3 GLN A 50 -0.139 13.355 15.487 1.00 3.45 H new ATOM 0 HE21 GLN A 50 1.907 12.737 15.263 1.00 3.74 H new ATOM 0 HE22 GLN A 50 3.060 13.413 14.107 1.00 3.74 H new ATOM 748 N PRO A 51 -4.768 12.712 13.319 1.00 1.98 N ATOM 749 CA PRO A 51 -5.751 12.140 12.397 1.00 2.00 C ATOM 750 C PRO A 51 -5.651 12.737 10.996 1.00 1.82 C ATOM 751 O PRO A 51 -6.346 13.700 10.669 1.00 2.47 O ATOM 752 CB PRO A 51 -7.085 12.506 13.045 1.00 2.71 C ATOM 753 CG PRO A 51 -6.810 13.772 13.779 1.00 2.89 C ATOM 754 CD PRO A 51 -5.379 13.683 14.249 1.00 2.51 C ATOM 0 HA PRO A 51 -5.608 11.069 12.254 1.00 2.00 H new ATOM 0 HB2 PRO A 51 -7.865 12.643 12.296 1.00 2.71 H new ATOM 0 HB3 PRO A 51 -7.426 11.722 13.721 1.00 2.71 H new ATOM 0 HG2 PRO A 51 -6.954 14.637 13.131 1.00 2.89 H new ATOM 0 HG3 PRO A 51 -7.490 13.889 14.623 1.00 2.89 H new ATOM 0 HD2 PRO A 51 -4.881 14.651 14.202 1.00 2.51 H new ATOM 0 HD3 PRO A 51 -5.317 13.342 15.282 1.00 2.51 H new ATOM 762 N ASP A 52 -4.784 12.155 10.171 1.00 1.32 N ATOM 763 CA ASP A 52 -4.592 12.626 8.802 1.00 1.52 C ATOM 764 C ASP A 52 -3.787 11.616 7.987 1.00 1.28 C ATOM 765 O ASP A 52 -2.901 11.987 7.217 1.00 2.07 O ATOM 766 CB ASP A 52 -3.890 13.987 8.803 1.00 2.12 C ATOM 767 CG ASP A 52 -2.581 13.968 9.571 1.00 2.77 C ATOM 768 OD1 ASP A 52 -1.680 13.197 9.186 1.00 3.33 O ATOM 769 OD2 ASP A 52 -2.461 14.724 10.559 1.00 3.26 O ATOM 0 H ASP A 52 -4.203 11.356 10.427 1.00 1.32 H new ATOM 0 HA ASP A 52 -5.572 12.735 8.338 1.00 1.52 H new ATOM 0 HB2 ASP A 52 -3.699 14.294 7.775 1.00 2.12 H new ATOM 0 HB3 ASP A 52 -4.553 14.733 9.241 1.00 2.12 H new ATOM 774 N TYR A 53 -4.105 10.336 8.164 1.00 0.84 N ATOM 775 CA TYR A 53 -3.414 9.269 7.450 1.00 1.19 C ATOM 776 C TYR A 53 -3.862 9.198 5.993 1.00 0.96 C ATOM 777 O TYR A 53 -5.025 8.908 5.704 1.00 1.43 O ATOM 778 CB TYR A 53 -3.667 7.926 8.139 1.00 2.08 C ATOM 779 CG TYR A 53 -3.043 6.743 7.432 1.00 3.12 C ATOM 780 CD1 TYR A 53 -1.692 6.731 7.107 1.00 3.74 C ATOM 781 CD2 TYR A 53 -3.808 5.634 7.092 1.00 3.88 C ATOM 782 CE1 TYR A 53 -1.122 5.650 6.464 1.00 4.86 C ATOM 783 CE2 TYR A 53 -3.245 4.548 6.449 1.00 5.03 C ATOM 784 CZ TYR A 53 -1.903 4.561 6.138 1.00 5.45 C ATOM 785 OH TYR A 53 -1.339 3.481 5.497 1.00 6.66 O ATOM 0 H TYR A 53 -4.837 10.014 8.796 1.00 0.84 H new ATOM 0 HA TYR A 53 -2.347 9.489 7.467 1.00 1.19 H new ATOM 0 HB2 TYR A 53 -3.280 7.973 9.157 1.00 2.08 H new ATOM 0 HB3 TYR A 53 -4.742 7.765 8.214 1.00 2.08 H new ATOM 0 HD1 TYR A 53 -1.077 7.582 7.362 1.00 3.74 H new ATOM 0 HD2 TYR A 53 -4.860 5.620 7.334 1.00 3.88 H new ATOM 0 HE1 TYR A 53 -0.070 5.657 6.218 1.00 4.86 H new ATOM 0 HE2 TYR A 53 -3.854 3.694 6.192 1.00 5.03 H new ATOM 0 HH TYR A 53 -2.025 2.799 5.340 1.00 6.66 H new ATOM 795 N LEU A 54 -2.930 9.453 5.080 1.00 0.84 N ATOM 796 CA LEU A 54 -3.224 9.405 3.651 1.00 0.76 C ATOM 797 C LEU A 54 -2.610 8.157 3.033 1.00 0.76 C ATOM 798 O LEU A 54 -1.526 7.731 3.431 1.00 0.98 O ATOM 799 CB LEU A 54 -2.685 10.658 2.954 1.00 0.97 C ATOM 800 CG LEU A 54 -2.909 10.715 1.441 1.00 1.15 C ATOM 801 CD1 LEU A 54 -4.394 10.690 1.113 1.00 1.60 C ATOM 802 CD2 LEU A 54 -2.254 11.956 0.854 1.00 1.60 C ATOM 0 H LEU A 54 -1.965 9.695 5.304 1.00 0.84 H new ATOM 0 HA LEU A 54 -4.305 9.370 3.518 1.00 0.76 H new ATOM 0 HB2 LEU A 54 -3.151 11.534 3.406 1.00 0.97 H new ATOM 0 HB3 LEU A 54 -1.615 10.730 3.149 1.00 0.97 H new ATOM 0 HG LEU A 54 -2.448 9.834 0.994 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -4.529 10.731 0.032 1.00 1.60 H new ATOM 0 HD12 LEU A 54 -4.836 9.772 1.499 1.00 1.60 H new ATOM 0 HD13 LEU A 54 -4.883 11.549 1.573 1.00 1.60 H new ATOM 0 HD21 LEU A 54 -2.422 11.982 -0.223 1.00 1.60 H new ATOM 0 HD22 LEU A 54 -2.687 12.846 1.310 1.00 1.60 H new ATOM 0 HD23 LEU A 54 -1.183 11.931 1.053 1.00 1.60 H new ATOM 814 N ASN A 55 -3.303 7.561 2.069 1.00 0.60 N ATOM 815 CA ASN A 55 -2.797 6.348 1.427 1.00 0.66 C ATOM 816 C ASN A 55 -3.452 6.116 0.072 1.00 0.50 C ATOM 817 O ASN A 55 -4.589 6.528 -0.163 1.00 0.56 O ATOM 818 CB ASN A 55 -3.025 5.149 2.352 1.00 0.87 C ATOM 819 CG ASN A 55 -2.781 3.802 1.690 1.00 1.51 C ATOM 820 OD1 ASN A 55 -3.382 3.474 0.667 1.00 2.21 O ATOM 821 ND2 ASN A 55 -1.910 3.000 2.289 1.00 2.21 N ATOM 0 H ASN A 55 -4.202 7.889 1.717 1.00 0.60 H new ATOM 0 HA ASN A 55 -1.728 6.470 1.250 1.00 0.66 H new ATOM 0 HB2 ASN A 55 -2.369 5.241 3.218 1.00 0.87 H new ATOM 0 HB3 ASN A 55 -4.049 5.179 2.724 1.00 0.87 H new ATOM 0 HD21 ASN A 55 -1.719 2.076 1.903 1.00 2.21 H new ATOM 0 HD22 ASN A 55 -1.432 3.308 3.136 1.00 2.21 H new ATOM 828 N ALA A 56 -2.720 5.449 -0.815 1.00 0.50 N ATOM 829 CA ALA A 56 -3.215 5.150 -2.148 1.00 0.45 C ATOM 830 C ALA A 56 -3.012 3.679 -2.502 1.00 0.45 C ATOM 831 O ALA A 56 -2.132 3.008 -1.957 1.00 0.61 O ATOM 832 CB ALA A 56 -2.530 6.040 -3.176 1.00 0.58 C ATOM 0 H ALA A 56 -1.778 5.105 -0.630 1.00 0.50 H new ATOM 0 HA ALA A 56 -4.286 5.351 -2.160 1.00 0.45 H new ATOM 0 HB1 ALA A 56 -2.910 5.806 -4.171 1.00 0.58 H new ATOM 0 HB2 ALA A 56 -2.735 7.086 -2.946 1.00 0.58 H new ATOM 0 HB3 ALA A 56 -1.454 5.866 -3.148 1.00 0.58 H new ATOM 838 N ALA A 57 -3.831 3.197 -3.431 1.00 0.43 N ATOM 839 CA ALA A 57 -3.757 1.819 -3.889 1.00 0.47 C ATOM 840 C ALA A 57 -2.879 1.737 -5.119 1.00 0.40 C ATOM 841 O ALA A 57 -2.974 2.578 -6.015 1.00 0.44 O ATOM 842 CB ALA A 57 -5.148 1.282 -4.185 1.00 0.59 C ATOM 0 H ALA A 57 -4.560 3.749 -3.884 1.00 0.43 H new ATOM 0 HA ALA A 57 -3.319 1.205 -3.102 1.00 0.47 H new ATOM 0 HB1 ALA A 57 -5.074 0.250 -4.527 1.00 0.59 H new ATOM 0 HB2 ALA A 57 -5.754 1.322 -3.280 1.00 0.59 H new ATOM 0 HB3 ALA A 57 -5.615 1.889 -4.961 1.00 0.59 H new ATOM 848 N VAL A 58 -2.008 0.738 -5.154 1.00 0.39 N ATOM 849 CA VAL A 58 -1.106 0.580 -6.266 1.00 0.39 C ATOM 850 C VAL A 58 -1.098 -0.838 -6.793 1.00 0.40 C ATOM 851 O VAL A 58 -1.054 -1.802 -6.034 1.00 0.60 O ATOM 852 CB VAL A 58 0.328 0.953 -5.869 1.00 0.49 C ATOM 853 CG1 VAL A 58 1.273 0.745 -7.038 1.00 1.11 C ATOM 854 CG2 VAL A 58 0.388 2.386 -5.370 1.00 1.22 C ATOM 0 H VAL A 58 -1.914 0.032 -4.424 1.00 0.39 H new ATOM 0 HA VAL A 58 -1.466 1.249 -7.047 1.00 0.39 H new ATOM 0 HB VAL A 58 0.644 0.299 -5.056 1.00 0.49 H new ATOM 0 HG11 VAL A 58 2.286 1.014 -6.739 1.00 1.11 H new ATOM 0 HG12 VAL A 58 1.250 -0.301 -7.342 1.00 1.11 H new ATOM 0 HG13 VAL A 58 0.962 1.373 -7.873 1.00 1.11 H new ATOM 0 HG21 VAL A 58 1.413 2.632 -5.093 1.00 1.22 H new ATOM 0 HG22 VAL A 58 0.053 3.060 -6.158 1.00 1.22 H new ATOM 0 HG23 VAL A 58 -0.259 2.496 -4.500 1.00 1.22 H new ATOM 864 N ALA A 59 -1.088 -0.939 -8.103 1.00 0.34 N ATOM 865 CA ALA A 59 -1.016 -2.216 -8.773 1.00 0.36 C ATOM 866 C ALA A 59 -0.017 -2.103 -9.909 1.00 0.37 C ATOM 867 O ALA A 59 -0.375 -1.775 -11.039 1.00 0.43 O ATOM 868 CB ALA A 59 -2.384 -2.634 -9.290 1.00 0.44 C ATOM 0 H ALA A 59 -1.130 -0.138 -8.733 1.00 0.34 H new ATOM 0 HA ALA A 59 -0.690 -2.984 -8.072 1.00 0.36 H new ATOM 0 HB1 ALA A 59 -2.304 -3.599 -9.791 1.00 0.44 H new ATOM 0 HB2 ALA A 59 -3.079 -2.715 -8.455 1.00 0.44 H new ATOM 0 HB3 ALA A 59 -2.750 -1.888 -9.996 1.00 0.44 H new ATOM 874 N LEU A 60 1.239 -2.368 -9.592 1.00 0.37 N ATOM 875 CA LEU A 60 2.308 -2.289 -10.576 1.00 0.45 C ATOM 876 C LEU A 60 2.775 -3.673 -10.993 1.00 0.39 C ATOM 877 O LEU A 60 2.892 -4.577 -10.167 1.00 0.38 O ATOM 878 CB LEU A 60 3.476 -1.463 -10.021 1.00 0.56 C ATOM 879 CG LEU A 60 4.847 -1.737 -10.647 1.00 0.48 C ATOM 880 CD1 LEU A 60 5.727 -0.503 -10.547 1.00 0.44 C ATOM 881 CD2 LEU A 60 5.520 -2.912 -9.952 1.00 0.98 C ATOM 0 H LEU A 60 1.545 -2.641 -8.658 1.00 0.37 H new ATOM 0 HA LEU A 60 1.919 -1.792 -11.465 1.00 0.45 H new ATOM 0 HB2 LEU A 60 3.243 -0.406 -10.152 1.00 0.56 H new ATOM 0 HB3 LEU A 60 3.546 -1.643 -8.948 1.00 0.56 H new ATOM 0 HG LEU A 60 4.704 -1.985 -11.699 1.00 0.48 H new ATOM 0 HD11 LEU A 60 6.698 -0.711 -10.996 1.00 0.44 H new ATOM 0 HD12 LEU A 60 5.254 0.325 -11.075 1.00 0.44 H new ATOM 0 HD13 LEU A 60 5.861 -0.236 -9.499 1.00 0.44 H new ATOM 0 HD21 LEU A 60 6.493 -3.095 -10.407 1.00 0.98 H new ATOM 0 HD22 LEU A 60 5.651 -2.683 -8.895 1.00 0.98 H new ATOM 0 HD23 LEU A 60 4.898 -3.801 -10.056 1.00 0.98 H new ATOM 893 N GLU A 61 3.046 -3.823 -12.283 1.00 0.39 N ATOM 894 CA GLU A 61 3.505 -5.092 -12.820 1.00 0.38 C ATOM 895 C GLU A 61 5.011 -5.255 -12.641 1.00 0.36 C ATOM 896 O GLU A 61 5.805 -4.660 -13.371 1.00 0.38 O ATOM 897 CB GLU A 61 3.129 -5.214 -14.301 1.00 0.44 C ATOM 898 CG GLU A 61 3.619 -4.058 -15.159 1.00 1.08 C ATOM 899 CD GLU A 61 3.273 -4.229 -16.625 1.00 1.06 C ATOM 900 OE1 GLU A 61 3.720 -5.228 -17.227 1.00 1.39 O ATOM 901 OE2 GLU A 61 2.554 -3.368 -17.171 1.00 1.24 O ATOM 0 H GLU A 61 2.955 -3.079 -12.975 1.00 0.39 H new ATOM 0 HA GLU A 61 3.011 -5.889 -12.264 1.00 0.38 H new ATOM 0 HB2 GLU A 61 3.539 -6.144 -14.694 1.00 0.44 H new ATOM 0 HB3 GLU A 61 2.044 -5.282 -14.386 1.00 0.44 H new ATOM 0 HG2 GLU A 61 3.182 -3.129 -14.793 1.00 1.08 H new ATOM 0 HG3 GLU A 61 4.700 -3.965 -15.054 1.00 1.08 H new ATOM 908 N THR A 62 5.397 -6.071 -11.665 1.00 0.39 N ATOM 909 CA THR A 62 6.795 -6.329 -11.394 1.00 0.43 C ATOM 910 C THR A 62 7.168 -7.732 -11.842 1.00 0.39 C ATOM 911 O THR A 62 6.310 -8.540 -12.195 1.00 0.43 O ATOM 912 CB THR A 62 7.099 -6.170 -9.898 1.00 0.54 C ATOM 913 OG1 THR A 62 8.380 -6.684 -9.587 1.00 1.47 O ATOM 914 CG2 THR A 62 6.095 -6.863 -9.001 1.00 1.02 C ATOM 0 H THR A 62 4.752 -6.565 -11.049 1.00 0.39 H new ATOM 0 HA THR A 62 7.386 -5.603 -11.952 1.00 0.43 H new ATOM 0 HB THR A 62 7.048 -5.098 -9.710 1.00 0.54 H new ATOM 0 HG1 THR A 62 8.364 -7.084 -8.692 1.00 1.47 H new ATOM 0 HG21 THR A 62 6.372 -6.709 -7.958 1.00 1.02 H new ATOM 0 HG22 THR A 62 5.102 -6.449 -9.178 1.00 1.02 H new ATOM 0 HG23 THR A 62 6.087 -7.931 -9.220 1.00 1.02 H new ATOM 922 N SER A 63 8.451 -8.013 -11.777 1.00 0.40 N ATOM 923 CA SER A 63 8.979 -9.323 -12.123 1.00 0.44 C ATOM 924 C SER A 63 9.836 -9.761 -10.960 1.00 0.44 C ATOM 925 O SER A 63 10.088 -10.946 -10.740 1.00 0.64 O ATOM 926 CB SER A 63 9.793 -9.277 -13.418 1.00 0.56 C ATOM 927 OG SER A 63 10.282 -10.562 -13.759 1.00 1.23 O ATOM 0 H SER A 63 9.161 -7.342 -11.483 1.00 0.40 H new ATOM 0 HA SER A 63 8.168 -10.029 -12.302 1.00 0.44 H new ATOM 0 HB2 SER A 63 9.172 -8.894 -14.228 1.00 0.56 H new ATOM 0 HB3 SER A 63 10.628 -8.586 -13.302 1.00 0.56 H new ATOM 0 HG SER A 63 10.797 -10.506 -14.591 1.00 1.23 H new ATOM 933 N LEU A 64 10.233 -8.755 -10.194 1.00 0.39 N ATOM 934 CA LEU A 64 11.016 -8.934 -9.005 1.00 0.38 C ATOM 935 C LEU A 64 10.088 -8.937 -7.806 1.00 0.35 C ATOM 936 O LEU A 64 9.656 -7.883 -7.343 1.00 0.39 O ATOM 937 CB LEU A 64 12.060 -7.823 -8.902 1.00 0.42 C ATOM 938 CG LEU A 64 11.649 -6.463 -9.475 1.00 0.50 C ATOM 939 CD1 LEU A 64 11.033 -5.591 -8.398 1.00 0.78 C ATOM 940 CD2 LEU A 64 12.859 -5.784 -10.097 1.00 0.84 C ATOM 0 H LEU A 64 10.010 -7.780 -10.395 1.00 0.39 H new ATOM 0 HA LEU A 64 11.547 -9.885 -9.038 1.00 0.38 H new ATOM 0 HB2 LEU A 64 12.318 -7.690 -7.851 1.00 0.42 H new ATOM 0 HB3 LEU A 64 12.965 -8.152 -9.413 1.00 0.42 H new ATOM 0 HG LEU A 64 10.896 -6.616 -10.248 1.00 0.50 H new ATOM 0 HD11 LEU A 64 10.748 -4.630 -8.827 1.00 0.78 H new ATOM 0 HD12 LEU A 64 10.149 -6.083 -7.992 1.00 0.78 H new ATOM 0 HD13 LEU A 64 11.758 -5.432 -7.600 1.00 0.78 H new ATOM 0 HD21 LEU A 64 12.564 -4.817 -10.504 1.00 0.84 H new ATOM 0 HD22 LEU A 64 13.626 -5.639 -9.336 1.00 0.84 H new ATOM 0 HD23 LEU A 64 13.255 -6.409 -10.897 1.00 0.84 H new ATOM 952 N ALA A 65 9.761 -10.139 -7.336 1.00 0.38 N ATOM 953 CA ALA A 65 8.858 -10.313 -6.207 1.00 0.42 C ATOM 954 C ALA A 65 8.989 -9.166 -5.216 1.00 0.39 C ATOM 955 O ALA A 65 10.092 -8.675 -4.987 1.00 0.38 O ATOM 956 CB ALA A 65 9.125 -11.640 -5.516 1.00 0.52 C ATOM 0 H ALA A 65 10.113 -11.013 -7.726 1.00 0.38 H new ATOM 0 HA ALA A 65 7.837 -10.313 -6.590 1.00 0.42 H new ATOM 0 HB1 ALA A 65 8.442 -11.756 -4.674 1.00 0.52 H new ATOM 0 HB2 ALA A 65 8.971 -12.456 -6.223 1.00 0.52 H new ATOM 0 HB3 ALA A 65 10.153 -11.662 -5.155 1.00 0.52 H new ATOM 962 N PRO A 66 7.860 -8.716 -4.632 1.00 0.44 N ATOM 963 CA PRO A 66 7.819 -7.619 -3.664 1.00 0.47 C ATOM 964 C PRO A 66 9.069 -7.508 -2.808 1.00 0.45 C ATOM 965 O PRO A 66 9.378 -6.442 -2.308 1.00 0.49 O ATOM 966 CB PRO A 66 6.617 -8.001 -2.821 1.00 0.55 C ATOM 967 CG PRO A 66 5.665 -8.551 -3.821 1.00 0.57 C ATOM 968 CD PRO A 66 6.503 -9.233 -4.881 1.00 0.50 C ATOM 0 HA PRO A 66 7.757 -6.643 -4.145 1.00 0.47 H new ATOM 0 HB2 PRO A 66 6.875 -8.739 -2.062 1.00 0.55 H new ATOM 0 HB3 PRO A 66 6.200 -7.139 -2.299 1.00 0.55 H new ATOM 0 HG2 PRO A 66 4.978 -9.258 -3.355 1.00 0.57 H new ATOM 0 HG3 PRO A 66 5.059 -7.757 -4.257 1.00 0.57 H new ATOM 0 HD2 PRO A 66 6.463 -10.318 -4.787 1.00 0.50 H new ATOM 0 HD3 PRO A 66 6.158 -8.987 -5.885 1.00 0.50 H new ATOM 976 N GLU A 67 9.798 -8.603 -2.662 1.00 0.45 N ATOM 977 CA GLU A 67 11.028 -8.592 -1.890 1.00 0.49 C ATOM 978 C GLU A 67 11.990 -7.563 -2.483 1.00 0.44 C ATOM 979 O GLU A 67 12.473 -6.676 -1.785 1.00 0.47 O ATOM 980 CB GLU A 67 11.651 -9.984 -1.907 1.00 0.52 C ATOM 981 CG GLU A 67 10.675 -11.072 -1.495 1.00 0.71 C ATOM 982 CD GLU A 67 11.263 -12.462 -1.614 1.00 0.77 C ATOM 983 OE1 GLU A 67 11.648 -12.850 -2.738 1.00 1.20 O ATOM 984 OE2 GLU A 67 11.341 -13.165 -0.585 1.00 1.06 O ATOM 0 H GLU A 67 9.559 -9.508 -3.067 1.00 0.45 H new ATOM 0 HA GLU A 67 10.816 -8.318 -0.857 1.00 0.49 H new ATOM 0 HB2 GLU A 67 12.024 -10.198 -2.909 1.00 0.52 H new ATOM 0 HB3 GLU A 67 12.510 -10.000 -1.237 1.00 0.52 H new ATOM 0 HG2 GLU A 67 10.362 -10.902 -0.465 1.00 0.71 H new ATOM 0 HG3 GLU A 67 9.781 -11.006 -2.115 1.00 0.71 H new ATOM 991 N GLU A 68 12.235 -7.684 -3.787 1.00 0.40 N ATOM 992 CA GLU A 68 13.109 -6.771 -4.513 1.00 0.39 C ATOM 993 C GLU A 68 12.405 -5.446 -4.724 1.00 0.35 C ATOM 994 O GLU A 68 12.963 -4.379 -4.480 1.00 0.40 O ATOM 995 CB GLU A 68 13.454 -7.377 -5.869 1.00 0.41 C ATOM 996 CG GLU A 68 13.742 -8.858 -5.793 1.00 0.97 C ATOM 997 CD GLU A 68 14.925 -9.182 -4.902 1.00 1.52 C ATOM 998 OE1 GLU A 68 16.040 -8.702 -5.196 1.00 1.90 O ATOM 999 OE2 GLU A 68 14.736 -9.917 -3.908 1.00 2.06 O ATOM 0 H GLU A 68 11.832 -8.419 -4.368 1.00 0.40 H new ATOM 0 HA GLU A 68 14.020 -6.609 -3.936 1.00 0.39 H new ATOM 0 HB2 GLU A 68 12.627 -7.207 -6.558 1.00 0.41 H new ATOM 0 HB3 GLU A 68 14.323 -6.863 -6.281 1.00 0.41 H new ATOM 0 HG2 GLU A 68 12.859 -9.376 -5.419 1.00 0.97 H new ATOM 0 HG3 GLU A 68 13.934 -9.238 -6.796 1.00 0.97 H new ATOM 1006 N LEU A 69 11.161 -5.535 -5.175 1.00 0.32 N ATOM 1007 CA LEU A 69 10.350 -4.358 -5.414 1.00 0.33 C ATOM 1008 C LEU A 69 10.279 -3.503 -4.155 1.00 0.34 C ATOM 1009 O LEU A 69 10.239 -2.276 -4.230 1.00 0.44 O ATOM 1010 CB LEU A 69 8.954 -4.774 -5.885 1.00 0.38 C ATOM 1011 CG LEU A 69 7.825 -3.800 -5.521 1.00 0.44 C ATOM 1012 CD1 LEU A 69 7.854 -2.585 -6.434 1.00 0.66 C ATOM 1013 CD2 LEU A 69 6.469 -4.491 -5.580 1.00 0.67 C ATOM 0 H LEU A 69 10.693 -6.417 -5.382 1.00 0.32 H new ATOM 0 HA LEU A 69 10.808 -3.757 -6.200 1.00 0.33 H new ATOM 0 HB2 LEU A 69 8.974 -4.894 -6.968 1.00 0.38 H new ATOM 0 HB3 LEU A 69 8.721 -5.751 -5.461 1.00 0.38 H new ATOM 0 HG LEU A 69 7.984 -3.462 -4.497 1.00 0.44 H new ATOM 0 HD11 LEU A 69 7.047 -1.906 -6.161 1.00 0.66 H new ATOM 0 HD12 LEU A 69 8.810 -2.073 -6.328 1.00 0.66 H new ATOM 0 HD13 LEU A 69 7.726 -2.904 -7.468 1.00 0.66 H new ATOM 0 HD21 LEU A 69 5.686 -3.779 -5.318 1.00 0.67 H new ATOM 0 HD22 LEU A 69 6.295 -4.866 -6.589 1.00 0.67 H new ATOM 0 HD23 LEU A 69 6.454 -5.323 -4.876 1.00 0.67 H new ATOM 1025 N LEU A 70 10.299 -4.156 -2.996 1.00 0.39 N ATOM 1026 CA LEU A 70 10.274 -3.443 -1.732 1.00 0.47 C ATOM 1027 C LEU A 70 11.613 -2.772 -1.498 1.00 0.44 C ATOM 1028 O LEU A 70 11.679 -1.713 -0.892 1.00 0.47 O ATOM 1029 CB LEU A 70 9.944 -4.378 -0.564 1.00 0.62 C ATOM 1030 CG LEU A 70 8.543 -4.217 0.026 1.00 0.99 C ATOM 1031 CD1 LEU A 70 7.479 -4.502 -1.023 1.00 1.48 C ATOM 1032 CD2 LEU A 70 8.367 -5.131 1.230 1.00 1.65 C ATOM 0 H LEU A 70 10.332 -5.172 -2.911 1.00 0.39 H new ATOM 0 HA LEU A 70 9.489 -2.688 -1.785 1.00 0.47 H new ATOM 0 HB2 LEU A 70 10.063 -5.408 -0.900 1.00 0.62 H new ATOM 0 HB3 LEU A 70 10.675 -4.215 0.228 1.00 0.62 H new ATOM 0 HG LEU A 70 8.426 -3.184 0.355 1.00 0.99 H new ATOM 0 HD11 LEU A 70 6.490 -4.381 -0.580 1.00 1.48 H new ATOM 0 HD12 LEU A 70 7.592 -3.806 -1.854 1.00 1.48 H new ATOM 0 HD13 LEU A 70 7.591 -5.523 -1.387 1.00 1.48 H new ATOM 0 HD21 LEU A 70 7.365 -5.005 1.639 1.00 1.65 H new ATOM 0 HD22 LEU A 70 8.506 -6.168 0.923 1.00 1.65 H new ATOM 0 HD23 LEU A 70 9.104 -4.876 1.991 1.00 1.65 H new ATOM 1044 N ASN A 71 12.685 -3.391 -1.992 1.00 0.46 N ATOM 1045 CA ASN A 71 14.022 -2.826 -1.833 1.00 0.50 C ATOM 1046 C ASN A 71 14.067 -1.391 -2.357 1.00 0.41 C ATOM 1047 O ASN A 71 14.549 -0.490 -1.675 1.00 0.44 O ATOM 1048 CB ASN A 71 15.077 -3.663 -2.568 1.00 0.59 C ATOM 1049 CG ASN A 71 15.314 -5.029 -1.945 1.00 0.79 C ATOM 1050 OD1 ASN A 71 14.434 -5.444 -1.047 1.00 1.59 O flip ATOM 1051 ND2 ASN A 71 16.274 -5.717 -2.293 1.00 0.72 N flip ATOM 0 H ASN A 71 12.654 -4.275 -2.500 1.00 0.46 H new ATOM 0 HA ASN A 71 14.249 -2.833 -0.767 1.00 0.50 H new ATOM 0 HB2 ASN A 71 14.766 -3.795 -3.604 1.00 0.59 H new ATOM 0 HB3 ASN A 71 16.018 -3.113 -2.585 1.00 0.59 H new ATOM 0 HD21 ASN A 71 16.931 -5.362 -2.988 1.00 0.72 H new ATOM 0 HD22 ASN A 71 16.413 -6.642 -1.886 1.00 0.72 H new ATOM 1058 N HIS A 72 13.578 -1.196 -3.582 1.00 0.37 N ATOM 1059 CA HIS A 72 13.574 0.120 -4.218 1.00 0.35 C ATOM 1060 C HIS A 72 12.552 1.060 -3.590 1.00 0.32 C ATOM 1061 O HIS A 72 12.842 2.232 -3.355 1.00 0.35 O ATOM 1062 CB HIS A 72 13.302 -0.045 -5.714 1.00 0.39 C ATOM 1063 CG HIS A 72 14.358 -0.859 -6.396 1.00 0.57 C ATOM 1064 ND1 HIS A 72 14.443 -2.195 -6.606 1.00 1.07 N flip ATOM 1065 CD2 HIS A 72 15.516 -0.316 -6.909 1.00 0.61 C flip ATOM 1066 CE1 HIS A 72 15.639 -2.429 -7.237 1.00 1.40 C flip ATOM 1067 NE2 HIS A 72 16.267 -1.281 -7.409 1.00 1.11 N flip ATOM 0 H HIS A 72 13.177 -1.938 -4.156 1.00 0.37 H new ATOM 0 HA HIS A 72 14.554 0.573 -4.066 1.00 0.35 H new ATOM 0 HB2 HIS A 72 12.332 -0.521 -5.854 1.00 0.39 H new ATOM 0 HB3 HIS A 72 13.245 0.938 -6.182 1.00 0.39 H new ATOM 0 HD2 HIS A 72 15.770 0.734 -6.903 1.00 0.61 H new ATOM 0 HE1 HIS A 72 16.007 -3.397 -7.544 1.00 1.40 H new ATOM 0 HE2 HIS A 72 17.177 -1.160 -7.853 1.00 1.11 H new ATOM 1076 N THR A 73 11.360 0.551 -3.318 1.00 0.34 N ATOM 1077 CA THR A 73 10.319 1.368 -2.713 1.00 0.38 C ATOM 1078 C THR A 73 10.740 1.818 -1.312 1.00 0.36 C ATOM 1079 O THR A 73 10.588 2.985 -0.944 1.00 0.36 O ATOM 1080 CB THR A 73 9.009 0.588 -2.656 1.00 0.47 C ATOM 1081 OG1 THR A 73 9.161 -0.600 -1.898 1.00 0.77 O ATOM 1082 CG2 THR A 73 8.483 0.199 -4.020 1.00 0.61 C ATOM 0 H THR A 73 11.091 -0.415 -3.504 1.00 0.34 H new ATOM 0 HA THR A 73 10.168 2.257 -3.326 1.00 0.38 H new ATOM 0 HB THR A 73 8.293 1.264 -2.188 1.00 0.47 H new ATOM 0 HG1 THR A 73 9.132 -0.384 -0.942 1.00 0.77 H new ATOM 0 HG21 THR A 73 7.550 -0.353 -3.906 1.00 0.61 H new ATOM 0 HG22 THR A 73 8.304 1.097 -4.611 1.00 0.61 H new ATOM 0 HG23 THR A 73 9.216 -0.428 -4.527 1.00 0.61 H new ATOM 1090 N GLN A 74 11.287 0.879 -0.547 1.00 0.39 N ATOM 1091 CA GLN A 74 11.756 1.152 0.802 1.00 0.42 C ATOM 1092 C GLN A 74 13.078 1.892 0.745 1.00 0.41 C ATOM 1093 O GLN A 74 13.554 2.429 1.745 1.00 0.50 O ATOM 1094 CB GLN A 74 11.910 -0.155 1.593 1.00 0.49 C ATOM 1095 CG GLN A 74 13.215 -0.903 1.345 1.00 1.45 C ATOM 1096 CD GLN A 74 14.386 -0.325 2.116 1.00 1.87 C ATOM 1097 OE1 GLN A 74 14.359 -0.255 3.345 1.00 2.25 O ATOM 1098 NE2 GLN A 74 15.423 0.092 1.399 1.00 2.54 N ATOM 0 H GLN A 74 11.416 -0.088 -0.845 1.00 0.39 H new ATOM 0 HA GLN A 74 11.021 1.775 1.311 1.00 0.42 H new ATOM 0 HB2 GLN A 74 11.833 0.070 2.657 1.00 0.49 H new ATOM 0 HB3 GLN A 74 11.077 -0.813 1.345 1.00 0.49 H new ATOM 0 HG2 GLN A 74 13.086 -1.949 1.622 1.00 1.45 H new ATOM 0 HG3 GLN A 74 13.443 -0.881 0.279 1.00 1.45 H new ATOM 0 HE21 GLN A 74 15.404 0.015 0.382 1.00 2.54 H new ATOM 0 HE22 GLN A 74 16.239 0.489 1.865 1.00 2.54 H new ATOM 1107 N ARG A 75 13.657 1.922 -0.447 1.00 0.37 N ATOM 1108 CA ARG A 75 14.923 2.600 -0.669 1.00 0.41 C ATOM 1109 C ARG A 75 14.705 4.098 -0.561 1.00 0.39 C ATOM 1110 O ARG A 75 15.527 4.832 -0.002 1.00 0.43 O ATOM 1111 CB ARG A 75 15.469 2.218 -2.048 1.00 0.48 C ATOM 1112 CG ARG A 75 16.772 2.892 -2.429 1.00 0.89 C ATOM 1113 CD ARG A 75 17.361 2.257 -3.682 1.00 0.88 C ATOM 1114 NE ARG A 75 18.451 3.052 -4.244 1.00 1.59 N ATOM 1115 CZ ARG A 75 18.314 4.301 -4.682 1.00 2.26 C ATOM 1116 NH1 ARG A 75 17.133 4.903 -4.632 1.00 2.72 N ATOM 1117 NH2 ARG A 75 19.362 4.950 -5.172 1.00 3.06 N ATOM 0 H ARG A 75 13.266 1.481 -1.279 1.00 0.37 H new ATOM 0 HA ARG A 75 15.654 2.299 0.082 1.00 0.41 H new ATOM 0 HB2 ARG A 75 15.613 1.138 -2.079 1.00 0.48 H new ATOM 0 HB3 ARG A 75 14.718 2.461 -2.800 1.00 0.48 H new ATOM 0 HG2 ARG A 75 16.601 3.955 -2.600 1.00 0.89 H new ATOM 0 HG3 ARG A 75 17.483 2.812 -1.606 1.00 0.89 H new ATOM 0 HD2 ARG A 75 17.727 1.259 -3.443 1.00 0.88 H new ATOM 0 HD3 ARG A 75 16.577 2.138 -4.430 1.00 0.88 H new ATOM 0 HE ARG A 75 19.374 2.623 -4.304 1.00 1.59 H new ATOM 0 HH11 ARG A 75 16.324 4.408 -4.256 1.00 2.72 H new ATOM 0 HH12 ARG A 75 17.034 5.861 -4.969 1.00 2.72 H new ATOM 0 HH21 ARG A 75 20.272 4.492 -5.213 1.00 3.06 H new ATOM 0 HH22 ARG A 75 19.258 5.907 -5.508 1.00 3.06 H new ATOM 1131 N ILE A 76 13.565 4.537 -1.072 1.00 0.38 N ATOM 1132 CA ILE A 76 13.205 5.935 -1.019 1.00 0.41 C ATOM 1133 C ILE A 76 12.823 6.323 0.404 1.00 0.42 C ATOM 1134 O ILE A 76 13.468 7.176 0.998 1.00 0.44 O ATOM 1135 CB ILE A 76 12.042 6.264 -1.972 1.00 0.45 C ATOM 1136 CG1 ILE A 76 12.300 5.665 -3.360 1.00 0.55 C ATOM 1137 CG2 ILE A 76 11.857 7.770 -2.067 1.00 0.50 C ATOM 1138 CD1 ILE A 76 13.562 6.176 -4.027 1.00 0.83 C ATOM 0 H ILE A 76 12.876 3.939 -1.528 1.00 0.38 H new ATOM 0 HA ILE A 76 14.075 6.509 -1.339 1.00 0.41 H new ATOM 0 HB ILE A 76 11.127 5.824 -1.575 1.00 0.45 H new ATOM 0 HG12 ILE A 76 12.362 4.580 -3.271 1.00 0.55 H new ATOM 0 HG13 ILE A 76 11.447 5.884 -4.003 1.00 0.55 H new ATOM 0 HG21 ILE A 76 11.032 7.993 -2.743 1.00 0.50 H new ATOM 0 HG22 ILE A 76 11.635 8.172 -1.079 1.00 0.50 H new ATOM 0 HG23 ILE A 76 12.771 8.226 -2.447 1.00 0.50 H new ATOM 0 HD11 ILE A 76 13.673 5.705 -5.004 1.00 0.83 H new ATOM 0 HD12 ILE A 76 13.496 7.257 -4.151 1.00 0.83 H new ATOM 0 HD13 ILE A 76 14.425 5.934 -3.407 1.00 0.83 H new ATOM 1150 N GLU A 77 11.784 5.683 0.954 1.00 0.44 N ATOM 1151 CA GLU A 77 11.342 5.978 2.323 1.00 0.47 C ATOM 1152 C GLU A 77 12.516 5.974 3.296 1.00 0.48 C ATOM 1153 O GLU A 77 12.493 6.671 4.309 1.00 0.54 O ATOM 1154 CB GLU A 77 10.271 4.984 2.792 1.00 0.50 C ATOM 1155 CG GLU A 77 10.679 3.525 2.683 1.00 0.66 C ATOM 1156 CD GLU A 77 9.505 2.575 2.802 1.00 0.97 C ATOM 1157 OE1 GLU A 77 8.351 3.038 2.691 1.00 1.43 O ATOM 1158 OE2 GLU A 77 9.736 1.374 3.027 1.00 1.32 O ATOM 0 H GLU A 77 11.238 4.965 0.478 1.00 0.44 H new ATOM 0 HA GLU A 77 10.905 6.976 2.310 1.00 0.47 H new ATOM 0 HB2 GLU A 77 10.020 5.202 3.830 1.00 0.50 H new ATOM 0 HB3 GLU A 77 9.366 5.140 2.205 1.00 0.50 H new ATOM 0 HG2 GLU A 77 11.176 3.362 1.727 1.00 0.66 H new ATOM 0 HG3 GLU A 77 11.405 3.297 3.463 1.00 0.66 H new ATOM 1165 N LEU A 78 13.544 5.197 2.977 1.00 0.45 N ATOM 1166 CA LEU A 78 14.727 5.120 3.821 1.00 0.49 C ATOM 1167 C LEU A 78 15.424 6.476 3.860 1.00 0.49 C ATOM 1168 O LEU A 78 15.806 6.958 4.927 1.00 0.59 O ATOM 1169 CB LEU A 78 15.681 4.034 3.299 1.00 0.53 C ATOM 1170 CG LEU A 78 16.871 3.682 4.206 1.00 0.88 C ATOM 1171 CD1 LEU A 78 17.903 4.801 4.223 1.00 1.66 C ATOM 1172 CD2 LEU A 78 16.395 3.376 5.619 1.00 1.52 C ATOM 0 H LEU A 78 13.581 4.613 2.142 1.00 0.45 H new ATOM 0 HA LEU A 78 14.427 4.853 4.834 1.00 0.49 H new ATOM 0 HB2 LEU A 78 15.104 3.126 3.124 1.00 0.53 H new ATOM 0 HB3 LEU A 78 16.070 4.356 2.333 1.00 0.53 H new ATOM 0 HG LEU A 78 17.349 2.791 3.798 1.00 0.88 H new ATOM 0 HD11 LEU A 78 18.732 4.522 4.873 1.00 1.66 H new ATOM 0 HD12 LEU A 78 18.275 4.968 3.212 1.00 1.66 H new ATOM 0 HD13 LEU A 78 17.442 5.716 4.596 1.00 1.66 H new ATOM 0 HD21 LEU A 78 17.252 3.129 6.246 1.00 1.52 H new ATOM 0 HD22 LEU A 78 15.885 4.248 6.028 1.00 1.52 H new ATOM 0 HD23 LEU A 78 15.707 2.531 5.596 1.00 1.52 H new ATOM 1184 N GLN A 79 15.592 7.080 2.687 1.00 0.47 N ATOM 1185 CA GLN A 79 16.252 8.379 2.587 1.00 0.52 C ATOM 1186 C GLN A 79 15.277 9.489 2.187 1.00 0.53 C ATOM 1187 O GLN A 79 15.696 10.595 1.844 1.00 0.72 O ATOM 1188 CB GLN A 79 17.410 8.293 1.586 1.00 0.63 C ATOM 1189 CG GLN A 79 17.042 7.619 0.268 1.00 1.12 C ATOM 1190 CD GLN A 79 16.302 8.532 -0.697 1.00 1.67 C ATOM 1191 OE1 GLN A 79 16.373 9.838 -0.465 1.00 2.24 O flip ATOM 1192 NE2 GLN A 79 15.699 8.067 -1.664 1.00 2.32 N flip ATOM 0 H GLN A 79 15.282 6.693 1.796 1.00 0.47 H new ATOM 0 HA GLN A 79 16.641 8.636 3.572 1.00 0.52 H new ATOM 0 HB2 GLN A 79 17.773 9.300 1.379 1.00 0.63 H new ATOM 0 HB3 GLN A 79 18.233 7.746 2.045 1.00 0.63 H new ATOM 0 HG2 GLN A 79 17.951 7.258 -0.212 1.00 1.12 H new ATOM 0 HG3 GLN A 79 16.423 6.746 0.476 1.00 1.12 H new ATOM 0 HE21 GLN A 79 15.667 7.058 -1.808 1.00 2.32 H new ATOM 0 HE22 GLN A 79 15.231 8.691 -2.321 1.00 2.32 H new ATOM 1201 N GLN A 80 13.978 9.197 2.233 1.00 0.61 N ATOM 1202 CA GLN A 80 12.962 10.184 1.867 1.00 0.72 C ATOM 1203 C GLN A 80 12.163 10.621 3.091 1.00 0.88 C ATOM 1204 O GLN A 80 11.650 11.740 3.135 1.00 1.15 O ATOM 1205 CB GLN A 80 12.025 9.618 0.789 1.00 0.74 C ATOM 1206 CG GLN A 80 11.332 10.685 -0.047 1.00 1.27 C ATOM 1207 CD GLN A 80 10.347 11.520 0.748 1.00 1.51 C ATOM 1208 OE1 GLN A 80 9.395 10.996 1.325 1.00 2.00 O ATOM 1209 NE2 GLN A 80 10.574 12.829 0.784 1.00 2.07 N ATOM 0 H GLN A 80 13.605 8.291 2.518 1.00 0.61 H new ATOM 0 HA GLN A 80 13.470 11.059 1.461 1.00 0.72 H new ATOM 0 HB2 GLN A 80 12.598 8.968 0.128 1.00 0.74 H new ATOM 0 HB3 GLN A 80 11.268 8.997 1.269 1.00 0.74 H new ATOM 0 HG2 GLN A 80 12.085 11.341 -0.484 1.00 1.27 H new ATOM 0 HG3 GLN A 80 10.808 10.206 -0.874 1.00 1.27 H new ATOM 0 HE21 GLN A 80 11.376 13.221 0.291 1.00 2.07 H new ATOM 0 HE22 GLN A 80 9.946 13.441 1.305 1.00 2.07 H new ATOM 1218 N GLY A 81 12.062 9.742 4.091 1.00 0.99 N ATOM 1219 CA GLY A 81 11.326 10.071 5.301 1.00 1.25 C ATOM 1220 C GLY A 81 11.821 11.341 5.978 1.00 1.79 C ATOM 1221 O GLY A 81 11.267 11.759 6.996 1.00 2.18 O ATOM 0 H GLY A 81 12.477 8.810 4.083 1.00 0.99 H new ATOM 0 HA2 GLY A 81 10.270 10.186 5.056 1.00 1.25 H new ATOM 0 HA3 GLY A 81 11.402 9.240 6.002 1.00 1.25 H new ATOM 1429 N THR A 93 7.885 7.393 7.990 1.00 1.14 N ATOM 1430 CA THR A 93 8.098 6.026 7.540 1.00 1.33 C ATOM 1431 C THR A 93 6.994 5.589 6.599 1.00 1.11 C ATOM 1432 O THR A 93 5.869 5.305 7.011 1.00 1.61 O ATOM 1433 CB THR A 93 8.212 5.062 8.726 1.00 1.94 C ATOM 1434 OG1 THR A 93 9.328 5.394 9.529 1.00 2.57 O ATOM 1435 CG2 THR A 93 8.361 3.613 8.314 1.00 2.58 C ATOM 0 HA THR A 93 9.042 6.000 6.995 1.00 1.33 H new ATOM 0 HB THR A 93 7.277 5.169 9.276 1.00 1.94 H new ATOM 0 HG1 THR A 93 9.416 6.369 9.580 1.00 2.57 H new ATOM 0 HG21 THR A 93 8.436 2.988 9.204 1.00 2.58 H new ATOM 0 HG22 THR A 93 7.492 3.310 7.730 1.00 2.58 H new ATOM 0 HG23 THR A 93 9.262 3.497 7.712 1.00 2.58 H new ATOM 1443 N LEU A 94 7.344 5.540 5.328 1.00 0.80 N ATOM 1444 CA LEU A 94 6.426 5.141 4.281 1.00 0.54 C ATOM 1445 C LEU A 94 6.209 3.628 4.352 1.00 0.52 C ATOM 1446 O LEU A 94 7.081 2.897 4.821 1.00 0.65 O ATOM 1447 CB LEU A 94 7.007 5.586 2.938 1.00 0.48 C ATOM 1448 CG LEU A 94 6.099 5.436 1.726 1.00 0.52 C ATOM 1449 CD1 LEU A 94 4.847 6.288 1.874 1.00 1.39 C ATOM 1450 CD2 LEU A 94 6.863 5.816 0.473 1.00 1.37 C ATOM 0 H LEU A 94 8.278 5.777 4.992 1.00 0.80 H new ATOM 0 HA LEU A 94 5.451 5.613 4.403 1.00 0.54 H new ATOM 0 HB2 LEU A 94 7.296 6.634 3.021 1.00 0.48 H new ATOM 0 HB3 LEU A 94 7.919 5.017 2.755 1.00 0.48 H new ATOM 0 HG LEU A 94 5.781 4.396 1.649 1.00 0.52 H new ATOM 0 HD11 LEU A 94 4.215 6.162 0.995 1.00 1.39 H new ATOM 0 HD12 LEU A 94 4.298 5.977 2.763 1.00 1.39 H new ATOM 0 HD13 LEU A 94 5.130 7.336 1.971 1.00 1.39 H new ATOM 0 HD21 LEU A 94 6.213 5.709 -0.396 1.00 1.37 H new ATOM 0 HD22 LEU A 94 7.198 6.850 0.551 1.00 1.37 H new ATOM 0 HD23 LEU A 94 7.728 5.162 0.362 1.00 1.37 H new ATOM 1462 N ASP A 95 5.033 3.162 3.940 1.00 0.49 N ATOM 1463 CA ASP A 95 4.715 1.736 4.018 1.00 0.56 C ATOM 1464 C ASP A 95 4.549 1.105 2.644 1.00 0.48 C ATOM 1465 O ASP A 95 3.584 1.383 1.931 1.00 0.65 O ATOM 1466 CB ASP A 95 3.439 1.527 4.835 1.00 0.87 C ATOM 1467 CG ASP A 95 3.055 0.064 4.950 1.00 1.51 C ATOM 1468 OD1 ASP A 95 3.858 -0.717 5.507 1.00 1.92 O ATOM 1469 OD2 ASP A 95 1.957 -0.301 4.484 1.00 2.19 O ATOM 0 H ASP A 95 4.290 3.743 3.552 1.00 0.49 H new ATOM 0 HA ASP A 95 5.556 1.246 4.508 1.00 0.56 H new ATOM 0 HB2 ASP A 95 3.579 1.942 5.833 1.00 0.87 H new ATOM 0 HB3 ASP A 95 2.621 2.079 4.372 1.00 0.87 H new ATOM 1474 N LEU A 96 5.502 0.252 2.277 1.00 0.48 N ATOM 1475 CA LEU A 96 5.465 -0.427 0.985 1.00 0.63 C ATOM 1476 C LEU A 96 5.365 -1.939 1.142 1.00 0.60 C ATOM 1477 O LEU A 96 6.357 -2.611 1.420 1.00 0.76 O ATOM 1478 CB LEU A 96 6.710 -0.073 0.176 1.00 0.97 C ATOM 1479 CG LEU A 96 6.675 1.292 -0.506 1.00 0.98 C ATOM 1480 CD1 LEU A 96 5.616 1.310 -1.597 1.00 1.91 C ATOM 1481 CD2 LEU A 96 6.422 2.400 0.500 1.00 2.04 C ATOM 0 H LEU A 96 6.308 0.015 2.855 1.00 0.48 H new ATOM 0 HA LEU A 96 4.573 -0.087 0.458 1.00 0.63 H new ATOM 0 HB2 LEU A 96 7.576 -0.109 0.837 1.00 0.97 H new ATOM 0 HB3 LEU A 96 6.859 -0.838 -0.586 1.00 0.97 H new ATOM 0 HG LEU A 96 7.650 1.469 -0.961 1.00 0.98 H new ATOM 0 HD11 LEU A 96 5.602 2.290 -2.075 1.00 1.91 H new ATOM 0 HD12 LEU A 96 5.847 0.547 -2.340 1.00 1.91 H new ATOM 0 HD13 LEU A 96 4.639 1.106 -1.159 1.00 1.91 H new ATOM 0 HD21 LEU A 96 6.402 3.361 -0.014 1.00 2.04 H new ATOM 0 HD22 LEU A 96 5.464 2.232 0.993 1.00 2.04 H new ATOM 0 HD23 LEU A 96 7.218 2.404 1.245 1.00 2.04 H new ATOM 1493 N ASP A 97 4.160 -2.471 0.951 1.00 0.55 N ATOM 1494 CA ASP A 97 3.934 -3.911 1.063 1.00 0.62 C ATOM 1495 C ASP A 97 2.844 -4.368 0.102 1.00 0.56 C ATOM 1496 O ASP A 97 1.742 -3.817 0.095 1.00 0.70 O ATOM 1497 CB ASP A 97 3.548 -4.294 2.496 1.00 0.79 C ATOM 1498 CG ASP A 97 4.634 -3.976 3.508 1.00 1.45 C ATOM 1499 OD1 ASP A 97 4.922 -2.779 3.716 1.00 1.98 O ATOM 1500 OD2 ASP A 97 5.197 -4.925 4.093 1.00 2.17 O ATOM 0 H ASP A 97 3.327 -1.929 0.719 1.00 0.55 H new ATOM 0 HA ASP A 97 4.867 -4.410 0.802 1.00 0.62 H new ATOM 0 HB2 ASP A 97 2.635 -3.767 2.774 1.00 0.79 H new ATOM 0 HB3 ASP A 97 3.325 -5.360 2.534 1.00 0.79 H new ATOM 1505 N ILE A 98 3.150 -5.385 -0.698 1.00 0.69 N ATOM 1506 CA ILE A 98 2.184 -5.920 -1.646 1.00 0.63 C ATOM 1507 C ILE A 98 1.277 -6.942 -0.976 1.00 0.67 C ATOM 1508 O ILE A 98 1.703 -7.682 -0.089 1.00 0.93 O ATOM 1509 CB ILE A 98 2.881 -6.565 -2.868 1.00 0.74 C ATOM 1510 CG1 ILE A 98 3.135 -5.519 -3.949 1.00 1.91 C ATOM 1511 CG2 ILE A 98 2.069 -7.728 -3.422 1.00 1.40 C ATOM 1512 CD1 ILE A 98 3.750 -6.084 -5.207 1.00 2.73 C ATOM 0 H ILE A 98 4.057 -5.852 -0.707 1.00 0.69 H new ATOM 0 HA ILE A 98 1.582 -5.082 -1.997 1.00 0.63 H new ATOM 0 HB ILE A 98 3.840 -6.963 -2.536 1.00 0.74 H new ATOM 0 HG12 ILE A 98 2.192 -5.034 -4.202 1.00 1.91 H new ATOM 0 HG13 ILE A 98 3.793 -4.747 -3.548 1.00 1.91 H new ATOM 0 HG21 ILE A 98 2.587 -8.158 -4.279 1.00 1.40 H new ATOM 0 HG22 ILE A 98 1.950 -8.489 -2.651 1.00 1.40 H new ATOM 0 HG23 ILE A 98 1.087 -7.371 -3.733 1.00 1.40 H new ATOM 0 HD11 ILE A 98 3.901 -5.282 -5.930 1.00 2.73 H new ATOM 0 HD12 ILE A 98 4.709 -6.543 -4.968 1.00 2.73 H new ATOM 0 HD13 ILE A 98 3.084 -6.835 -5.632 1.00 2.73 H new ATOM 1524 N MET A 99 0.026 -6.985 -1.415 1.00 0.53 N ATOM 1525 CA MET A 99 -0.939 -7.923 -0.868 1.00 0.63 C ATOM 1526 C MET A 99 -1.282 -8.985 -1.902 1.00 0.63 C ATOM 1527 O MET A 99 -1.764 -10.058 -1.567 1.00 0.87 O ATOM 1528 CB MET A 99 -2.207 -7.189 -0.427 1.00 0.70 C ATOM 1529 CG MET A 99 -1.949 -6.070 0.568 1.00 0.93 C ATOM 1530 SD MET A 99 -1.150 -6.651 2.079 1.00 1.77 S ATOM 1531 CE MET A 99 -0.962 -5.112 2.976 1.00 2.48 C ATOM 0 H MET A 99 -0.342 -6.380 -2.149 1.00 0.53 H new ATOM 0 HA MET A 99 -0.497 -8.408 0.003 1.00 0.63 H new ATOM 0 HB2 MET A 99 -2.701 -6.775 -1.306 1.00 0.70 H new ATOM 0 HB3 MET A 99 -2.896 -7.907 0.018 1.00 0.70 H new ATOM 0 HG2 MET A 99 -1.323 -5.310 0.100 1.00 0.93 H new ATOM 0 HG3 MET A 99 -2.894 -5.591 0.823 1.00 0.93 H new ATOM 0 HE1 MET A 99 -0.033 -5.134 3.546 1.00 2.48 H new ATOM 0 HE2 MET A 99 -0.936 -4.281 2.271 1.00 2.48 H new ATOM 0 HE3 MET A 99 -1.803 -4.983 3.658 1.00 2.48 H new ATOM 1541 N LEU A 100 -1.032 -8.672 -3.168 1.00 0.51 N ATOM 1542 CA LEU A 100 -1.323 -9.603 -4.259 1.00 0.55 C ATOM 1543 C LEU A 100 -0.223 -9.585 -5.325 1.00 0.54 C ATOM 1544 O LEU A 100 0.383 -8.549 -5.582 1.00 0.76 O ATOM 1545 CB LEU A 100 -2.678 -9.250 -4.881 1.00 0.75 C ATOM 1546 CG LEU A 100 -2.948 -9.838 -6.267 1.00 1.12 C ATOM 1547 CD1 LEU A 100 -2.856 -11.353 -6.250 1.00 1.87 C ATOM 1548 CD2 LEU A 100 -4.315 -9.404 -6.761 1.00 1.69 C ATOM 0 H LEU A 100 -0.629 -7.784 -3.467 1.00 0.51 H new ATOM 0 HA LEU A 100 -1.360 -10.612 -3.849 1.00 0.55 H new ATOM 0 HB2 LEU A 100 -3.465 -9.585 -4.205 1.00 0.75 H new ATOM 0 HB3 LEU A 100 -2.755 -8.165 -4.946 1.00 0.75 H new ATOM 0 HG LEU A 100 -2.184 -9.461 -6.947 1.00 1.12 H new ATOM 0 HD11 LEU A 100 -3.053 -11.741 -7.250 1.00 1.87 H new ATOM 0 HD12 LEU A 100 -1.857 -11.653 -5.935 1.00 1.87 H new ATOM 0 HD13 LEU A 100 -3.592 -11.754 -5.554 1.00 1.87 H new ATOM 0 HD21 LEU A 100 -4.497 -9.828 -7.748 1.00 1.69 H new ATOM 0 HD22 LEU A 100 -5.080 -9.755 -6.069 1.00 1.69 H new ATOM 0 HD23 LEU A 100 -4.352 -8.316 -6.821 1.00 1.69 H new ATOM 1560 N PHE A 101 0.033 -10.738 -5.947 1.00 0.46 N ATOM 1561 CA PHE A 101 1.059 -10.829 -6.983 1.00 0.46 C ATOM 1562 C PHE A 101 0.479 -11.353 -8.300 1.00 0.51 C ATOM 1563 O PHE A 101 0.769 -12.473 -8.722 1.00 0.58 O ATOM 1564 CB PHE A 101 2.207 -11.731 -6.518 1.00 0.45 C ATOM 1565 CG PHE A 101 3.402 -11.720 -7.432 1.00 0.51 C ATOM 1566 CD1 PHE A 101 3.989 -10.524 -7.817 1.00 0.56 C ATOM 1567 CD2 PHE A 101 3.942 -12.907 -7.901 1.00 0.58 C ATOM 1568 CE1 PHE A 101 5.090 -10.513 -8.652 1.00 0.65 C ATOM 1569 CE2 PHE A 101 5.044 -12.902 -8.735 1.00 0.68 C ATOM 1570 CZ PHE A 101 5.617 -11.705 -9.112 1.00 0.71 C ATOM 0 H PHE A 101 -0.452 -11.614 -5.752 1.00 0.46 H new ATOM 0 HA PHE A 101 1.443 -9.824 -7.160 1.00 0.46 H new ATOM 0 HB2 PHE A 101 2.521 -11.418 -5.522 1.00 0.45 H new ATOM 0 HB3 PHE A 101 1.839 -12.753 -6.430 1.00 0.45 H new ATOM 0 HD1 PHE A 101 3.581 -9.590 -7.460 1.00 0.56 H new ATOM 0 HD2 PHE A 101 3.496 -13.847 -7.611 1.00 0.58 H new ATOM 0 HE1 PHE A 101 5.538 -9.575 -8.945 1.00 0.65 H new ATOM 0 HE2 PHE A 101 5.456 -13.834 -9.091 1.00 0.68 H new ATOM 0 HZ PHE A 101 6.477 -11.699 -9.766 1.00 0.71 H new ATOM 1580 N GLY A 102 -0.329 -10.520 -8.949 1.00 0.54 N ATOM 1581 CA GLY A 102 -0.934 -10.884 -10.220 1.00 0.65 C ATOM 1582 C GLY A 102 -2.165 -11.757 -10.075 1.00 0.67 C ATOM 1583 O GLY A 102 -3.132 -11.585 -10.817 1.00 0.99 O ATOM 0 H GLY A 102 -0.578 -9.589 -8.614 1.00 0.54 H new ATOM 0 HA2 GLY A 102 -1.204 -9.976 -10.758 1.00 0.65 H new ATOM 0 HA3 GLY A 102 -0.196 -11.408 -10.828 1.00 0.65 H new ATOM 1587 N ASN A 103 -2.097 -12.696 -9.124 1.00 0.58 N ATOM 1588 CA ASN A 103 -3.163 -13.668 -8.827 1.00 0.64 C ATOM 1589 C ASN A 103 -2.514 -15.034 -8.680 1.00 0.71 C ATOM 1590 O ASN A 103 -3.065 -16.060 -9.084 1.00 1.08 O ATOM 1591 CB ASN A 103 -4.238 -13.727 -9.924 1.00 0.78 C ATOM 1592 CG ASN A 103 -5.426 -14.597 -9.551 1.00 1.18 C ATOM 1593 OD1 ASN A 103 -5.510 -14.987 -8.284 1.00 2.12 O flip ATOM 1594 ND2 ASN A 103 -6.275 -14.897 -10.391 1.00 1.38 N flip ATOM 0 H ASN A 103 -1.280 -12.806 -8.523 1.00 0.58 H new ATOM 0 HA ASN A 103 -3.668 -13.358 -7.912 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -4.588 -12.717 -10.136 1.00 0.78 H new ATOM 0 HB3 ASN A 103 -3.791 -14.108 -10.842 1.00 0.78 H new ATOM 0 HD21 ASN A 103 -6.174 -14.578 -11.354 1.00 1.38 H new ATOM 0 HD22 ASN A 103 -7.079 -15.465 -10.123 1.00 1.38 H new ATOM 1601 N GLU A 104 -1.310 -15.018 -8.123 1.00 0.53 N ATOM 1602 CA GLU A 104 -0.520 -16.222 -7.935 1.00 0.61 C ATOM 1603 C GLU A 104 -0.319 -16.505 -6.452 1.00 0.64 C ATOM 1604 O GLU A 104 0.009 -15.606 -5.692 1.00 0.84 O ATOM 1605 CB GLU A 104 0.834 -16.033 -8.617 1.00 0.70 C ATOM 1606 CG GLU A 104 1.626 -17.322 -8.774 1.00 1.16 C ATOM 1607 CD GLU A 104 0.883 -18.368 -9.581 1.00 1.28 C ATOM 1608 OE1 GLU A 104 0.573 -18.098 -10.761 1.00 1.79 O ATOM 1609 OE2 GLU A 104 0.613 -19.458 -9.035 1.00 1.87 O ATOM 0 H GLU A 104 -0.856 -14.168 -7.789 1.00 0.53 H new ATOM 0 HA GLU A 104 -1.044 -17.070 -8.375 1.00 0.61 H new ATOM 0 HB2 GLU A 104 0.676 -15.592 -9.601 1.00 0.70 H new ATOM 0 HB3 GLU A 104 1.425 -15.322 -8.040 1.00 0.70 H new ATOM 0 HG2 GLU A 104 2.577 -17.103 -9.259 1.00 1.16 H new ATOM 0 HG3 GLU A 104 1.856 -17.725 -7.788 1.00 1.16 H new ATOM 1616 N VAL A 105 -0.492 -17.755 -6.047 1.00 0.62 N ATOM 1617 CA VAL A 105 -0.311 -18.121 -4.648 1.00 0.66 C ATOM 1618 C VAL A 105 1.167 -18.183 -4.329 1.00 0.70 C ATOM 1619 O VAL A 105 1.807 -19.222 -4.485 1.00 0.83 O ATOM 1620 CB VAL A 105 -0.956 -19.478 -4.314 1.00 0.75 C ATOM 1621 CG1 VAL A 105 -0.827 -19.780 -2.829 1.00 1.18 C ATOM 1622 CG2 VAL A 105 -2.414 -19.498 -4.747 1.00 0.95 C ATOM 0 H VAL A 105 -0.755 -18.527 -6.660 1.00 0.62 H new ATOM 0 HA VAL A 105 -0.803 -17.359 -4.044 1.00 0.66 H new ATOM 0 HB VAL A 105 -0.428 -20.256 -4.865 1.00 0.75 H new ATOM 0 HG11 VAL A 105 -1.289 -20.743 -2.612 1.00 1.18 H new ATOM 0 HG12 VAL A 105 0.227 -19.813 -2.555 1.00 1.18 H new ATOM 0 HG13 VAL A 105 -1.327 -19.000 -2.254 1.00 1.18 H new ATOM 0 HG21 VAL A 105 -2.853 -20.465 -4.503 1.00 0.95 H new ATOM 0 HG22 VAL A 105 -2.959 -18.710 -4.227 1.00 0.95 H new ATOM 0 HG23 VAL A 105 -2.476 -19.333 -5.823 1.00 0.95 H new ATOM 1632 N ILE A 106 1.710 -17.052 -3.915 1.00 0.65 N ATOM 1633 CA ILE A 106 3.123 -16.964 -3.612 1.00 0.72 C ATOM 1634 C ILE A 106 3.407 -15.960 -2.511 1.00 0.77 C ATOM 1635 O ILE A 106 3.487 -14.755 -2.749 1.00 0.84 O ATOM 1636 CB ILE A 106 3.888 -16.565 -4.882 1.00 0.81 C ATOM 1637 CG1 ILE A 106 5.338 -16.198 -4.574 1.00 0.76 C ATOM 1638 CG2 ILE A 106 3.176 -15.411 -5.576 1.00 1.33 C ATOM 1639 CD1 ILE A 106 6.067 -15.664 -5.783 1.00 0.76 C ATOM 0 H ILE A 106 1.192 -16.183 -3.782 1.00 0.65 H new ATOM 0 HA ILE A 106 3.453 -17.941 -3.259 1.00 0.72 H new ATOM 0 HB ILE A 106 3.907 -17.426 -5.551 1.00 0.81 H new ATOM 0 HG12 ILE A 106 5.360 -15.451 -3.781 1.00 0.76 H new ATOM 0 HG13 ILE A 106 5.860 -17.078 -4.198 1.00 0.76 H new ATOM 0 HG21 ILE A 106 3.725 -15.134 -6.476 1.00 1.33 H new ATOM 0 HG22 ILE A 106 2.166 -15.717 -5.847 1.00 1.33 H new ATOM 0 HG23 ILE A 106 3.128 -14.555 -4.902 1.00 1.33 H new ATOM 0 HD11 ILE A 106 7.093 -15.418 -5.510 1.00 0.76 H new ATOM 0 HD12 ILE A 106 6.071 -16.420 -6.568 1.00 0.76 H new ATOM 0 HD13 ILE A 106 5.563 -14.768 -6.145 1.00 0.76 H new ATOM 1651 N ASN A 107 3.597 -16.473 -1.308 1.00 0.80 N ATOM 1652 CA ASN A 107 3.920 -15.627 -0.177 1.00 0.91 C ATOM 1653 C ASN A 107 5.150 -16.145 0.544 1.00 0.92 C ATOM 1654 O ASN A 107 5.446 -17.340 0.529 1.00 1.03 O ATOM 1655 CB ASN A 107 2.750 -15.495 0.795 1.00 1.00 C ATOM 1656 CG ASN A 107 2.251 -16.820 1.320 1.00 1.11 C ATOM 1657 OD1 ASN A 107 3.031 -17.685 1.718 1.00 1.79 O ATOM 1658 ND2 ASN A 107 0.936 -16.971 1.351 1.00 1.12 N ATOM 0 H ASN A 107 3.533 -17.468 -1.091 1.00 0.80 H new ATOM 0 HA ASN A 107 4.131 -14.632 -0.570 1.00 0.91 H new ATOM 0 HB2 ASN A 107 3.055 -14.872 1.636 1.00 1.00 H new ATOM 0 HB3 ASN A 107 1.930 -14.979 0.296 1.00 1.00 H new ATOM 0 HD21 ASN A 107 0.530 -17.833 1.716 1.00 1.12 H new ATOM 0 HD22 ASN A 107 0.329 -16.226 1.010 1.00 1.12 H new ATOM 1665 N THR A 108 5.856 -15.230 1.173 1.00 0.92 N ATOM 1666 CA THR A 108 7.062 -15.558 1.917 1.00 1.01 C ATOM 1667 C THR A 108 7.460 -14.398 2.827 1.00 1.15 C ATOM 1668 O THR A 108 8.592 -13.913 2.787 1.00 1.79 O ATOM 1669 CB THR A 108 8.198 -15.930 0.957 1.00 1.00 C ATOM 1670 OG1 THR A 108 9.402 -16.173 1.661 1.00 1.66 O ATOM 1671 CG2 THR A 108 8.479 -14.877 -0.090 1.00 1.26 C ATOM 0 H THR A 108 5.614 -14.239 1.186 1.00 0.92 H new ATOM 0 HA THR A 108 6.861 -16.423 2.549 1.00 1.01 H new ATOM 0 HB THR A 108 7.851 -16.831 0.451 1.00 1.00 H new ATOM 0 HG1 THR A 108 9.574 -15.433 2.280 1.00 1.66 H new ATOM 0 HG21 THR A 108 9.294 -15.211 -0.732 1.00 1.26 H new ATOM 0 HG22 THR A 108 7.585 -14.716 -0.693 1.00 1.26 H new ATOM 0 HG23 THR A 108 8.760 -13.944 0.399 1.00 1.26 H new ATOM 1679 N GLU A 109 6.508 -13.969 3.652 1.00 0.95 N ATOM 1680 CA GLU A 109 6.719 -12.878 4.600 1.00 1.05 C ATOM 1681 C GLU A 109 6.958 -11.537 3.904 1.00 1.06 C ATOM 1682 O GLU A 109 7.099 -10.511 4.571 1.00 1.32 O ATOM 1683 CB GLU A 109 7.894 -13.195 5.532 1.00 1.20 C ATOM 1684 CG GLU A 109 7.642 -14.374 6.463 1.00 1.46 C ATOM 1685 CD GLU A 109 7.437 -15.682 5.722 1.00 2.13 C ATOM 1686 OE1 GLU A 109 8.370 -16.116 5.013 1.00 2.74 O ATOM 1687 OE2 GLU A 109 6.344 -16.273 5.853 1.00 2.57 O ATOM 0 H GLU A 109 5.570 -14.367 3.682 1.00 0.95 H new ATOM 0 HA GLU A 109 5.803 -12.787 5.184 1.00 1.05 H new ATOM 0 HB2 GLU A 109 8.778 -13.403 4.929 1.00 1.20 H new ATOM 0 HB3 GLU A 109 8.118 -12.313 6.131 1.00 1.20 H new ATOM 0 HG2 GLU A 109 8.486 -14.478 7.145 1.00 1.46 H new ATOM 0 HG3 GLU A 109 6.763 -14.167 7.073 1.00 1.46 H new ATOM 1694 N ARG A 110 7.008 -11.533 2.572 1.00 0.93 N ATOM 1695 CA ARG A 110 7.235 -10.290 1.839 1.00 0.97 C ATOM 1696 C ARG A 110 6.150 -10.039 0.799 1.00 0.79 C ATOM 1697 O ARG A 110 6.157 -9.003 0.133 1.00 0.87 O ATOM 1698 CB ARG A 110 8.609 -10.299 1.159 1.00 1.17 C ATOM 1699 CG ARG A 110 9.293 -8.942 1.147 1.00 1.05 C ATOM 1700 CD ARG A 110 9.702 -8.511 2.547 1.00 1.57 C ATOM 1701 NE ARG A 110 10.652 -9.445 3.148 1.00 2.14 N ATOM 1702 CZ ARG A 110 11.169 -9.293 4.365 1.00 2.68 C ATOM 1703 NH1 ARG A 110 10.828 -8.251 5.112 1.00 2.96 N ATOM 1704 NH2 ARG A 110 12.029 -10.186 4.836 1.00 3.52 N ATOM 0 H ARG A 110 6.896 -12.362 1.988 1.00 0.93 H new ATOM 0 HA ARG A 110 7.201 -9.481 2.569 1.00 0.97 H new ATOM 0 HB2 ARG A 110 9.252 -11.016 1.669 1.00 1.17 H new ATOM 0 HB3 ARG A 110 8.494 -10.647 0.133 1.00 1.17 H new ATOM 0 HG2 ARG A 110 10.174 -8.983 0.506 1.00 1.05 H new ATOM 0 HG3 ARG A 110 8.621 -8.199 0.718 1.00 1.05 H new ATOM 0 HD2 ARG A 110 10.147 -7.517 2.506 1.00 1.57 H new ATOM 0 HD3 ARG A 110 8.816 -8.438 3.178 1.00 1.57 H new ATOM 0 HE ARG A 110 10.935 -10.260 2.604 1.00 2.14 H new ATOM 0 HH11 ARG A 110 10.167 -7.562 4.754 1.00 2.96 H new ATOM 0 HH12 ARG A 110 11.227 -8.139 6.044 1.00 2.96 H new ATOM 0 HH21 ARG A 110 12.294 -10.989 4.266 1.00 3.52 H new ATOM 0 HH22 ARG A 110 12.425 -10.070 5.769 1.00 3.52 H new ATOM 1718 N LEU A 111 5.220 -10.979 0.650 1.00 0.72 N ATOM 1719 CA LEU A 111 4.156 -10.808 -0.332 1.00 0.75 C ATOM 1720 C LEU A 111 3.038 -11.837 -0.180 1.00 0.66 C ATOM 1721 O LEU A 111 2.871 -12.720 -1.019 1.00 0.70 O ATOM 1722 CB LEU A 111 4.727 -10.873 -1.753 1.00 0.95 C ATOM 1723 CG LEU A 111 5.278 -12.232 -2.199 1.00 0.69 C ATOM 1724 CD1 LEU A 111 5.645 -12.205 -3.674 1.00 0.95 C ATOM 1725 CD2 LEU A 111 6.481 -12.619 -1.365 1.00 1.36 C ATOM 0 H LEU A 111 5.181 -11.847 1.184 1.00 0.72 H new ATOM 0 HA LEU A 111 3.720 -9.826 -0.151 1.00 0.75 H new ATOM 0 HB2 LEU A 111 3.944 -10.575 -2.451 1.00 0.95 H new ATOM 0 HB3 LEU A 111 5.526 -10.136 -1.836 1.00 0.95 H new ATOM 0 HG LEU A 111 4.499 -12.980 -2.051 1.00 0.69 H new ATOM 0 HD11 LEU A 111 6.034 -13.179 -3.970 1.00 0.95 H new ATOM 0 HD12 LEU A 111 4.759 -11.973 -4.265 1.00 0.95 H new ATOM 0 HD13 LEU A 111 6.405 -11.443 -3.846 1.00 0.95 H new ATOM 0 HD21 LEU A 111 6.858 -13.587 -1.697 1.00 1.36 H new ATOM 0 HD22 LEU A 111 7.261 -11.867 -1.481 1.00 1.36 H new ATOM 0 HD23 LEU A 111 6.191 -12.683 -0.316 1.00 1.36 H new ATOM 1737 N THR A 112 2.235 -11.698 0.864 1.00 0.71 N ATOM 1738 CA THR A 112 1.117 -12.607 1.048 1.00 0.67 C ATOM 1739 C THR A 112 0.073 -12.310 -0.020 1.00 0.66 C ATOM 1740 O THR A 112 -0.737 -11.400 0.132 1.00 0.82 O ATOM 1741 CB THR A 112 0.525 -12.469 2.455 1.00 0.74 C ATOM 1742 OG1 THR A 112 -0.647 -13.253 2.584 1.00 0.75 O ATOM 1743 CG2 THR A 112 0.174 -11.049 2.829 1.00 0.83 C ATOM 0 H THR A 112 2.333 -10.980 1.582 1.00 0.71 H new ATOM 0 HA THR A 112 1.459 -13.637 0.946 1.00 0.67 H new ATOM 0 HB THR A 112 1.309 -12.814 3.129 1.00 0.74 H new ATOM 0 HG1 THR A 112 -0.603 -13.774 3.413 1.00 0.75 H new ATOM 0 HG21 THR A 112 -0.239 -11.030 3.837 1.00 0.83 H new ATOM 0 HG22 THR A 112 1.071 -10.431 2.793 1.00 0.83 H new ATOM 0 HG23 THR A 112 -0.564 -10.660 2.127 1.00 0.83 H new ATOM 1751 N VAL A 113 0.115 -13.068 -1.114 1.00 0.60 N ATOM 1752 CA VAL A 113 -0.811 -12.866 -2.220 1.00 0.61 C ATOM 1753 C VAL A 113 -2.248 -13.021 -1.745 1.00 0.64 C ATOM 1754 O VAL A 113 -3.046 -12.098 -1.878 1.00 0.80 O ATOM 1755 CB VAL A 113 -0.500 -13.808 -3.393 1.00 0.64 C ATOM 1756 CG1 VAL A 113 -1.612 -13.761 -4.427 1.00 1.27 C ATOM 1757 CG2 VAL A 113 0.832 -13.426 -4.018 1.00 1.38 C ATOM 0 H VAL A 113 0.781 -13.827 -1.256 1.00 0.60 H new ATOM 0 HA VAL A 113 -0.684 -11.848 -2.587 1.00 0.61 H new ATOM 0 HB VAL A 113 -0.434 -14.830 -3.019 1.00 0.64 H new ATOM 0 HG11 VAL A 113 -1.373 -14.435 -5.250 1.00 1.27 H new ATOM 0 HG12 VAL A 113 -2.550 -14.070 -3.966 1.00 1.27 H new ATOM 0 HG13 VAL A 113 -1.712 -12.745 -4.808 1.00 1.27 H new ATOM 0 HG21 VAL A 113 1.049 -14.096 -4.850 1.00 1.38 H new ATOM 0 HG22 VAL A 113 0.782 -12.400 -4.382 1.00 1.38 H new ATOM 0 HG23 VAL A 113 1.621 -13.507 -3.271 1.00 1.38 H new ATOM 1767 N PRO A 114 -2.603 -14.167 -1.140 1.00 0.61 N ATOM 1768 CA PRO A 114 -3.946 -14.366 -0.601 1.00 0.70 C ATOM 1769 C PRO A 114 -4.239 -13.293 0.436 1.00 0.76 C ATOM 1770 O PRO A 114 -5.357 -13.163 0.927 1.00 0.88 O ATOM 1771 CB PRO A 114 -3.864 -15.745 0.048 1.00 0.68 C ATOM 1772 CG PRO A 114 -2.738 -16.415 -0.648 1.00 0.83 C ATOM 1773 CD PRO A 114 -1.738 -15.331 -0.897 1.00 0.63 C ATOM 0 HA PRO A 114 -4.737 -14.304 -1.349 1.00 0.70 H new ATOM 0 HB2 PRO A 114 -3.680 -15.669 1.120 1.00 0.68 H new ATOM 0 HB3 PRO A 114 -4.794 -16.299 -0.077 1.00 0.68 H new ATOM 0 HG2 PRO A 114 -2.313 -17.211 -0.036 1.00 0.83 H new ATOM 0 HG3 PRO A 114 -3.066 -16.871 -1.582 1.00 0.83 H new ATOM 0 HD2 PRO A 114 -1.080 -15.179 -0.042 1.00 0.63 H new ATOM 0 HD3 PRO A 114 -1.101 -15.552 -1.754 1.00 0.63 H new ATOM 1781 N HIS A 115 -3.186 -12.529 0.733 1.00 0.82 N ATOM 1782 CA HIS A 115 -3.209 -11.422 1.679 1.00 0.95 C ATOM 1783 C HIS A 115 -4.213 -11.604 2.811 1.00 0.86 C ATOM 1784 O HIS A 115 -5.415 -11.424 2.637 1.00 0.88 O ATOM 1785 CB HIS A 115 -3.462 -10.105 0.924 1.00 1.14 C ATOM 1786 CG HIS A 115 -4.559 -10.168 -0.105 1.00 2.17 C ATOM 1787 ND1 HIS A 115 -5.788 -10.752 0.119 1.00 3.14 N ATOM 1788 CD2 HIS A 115 -4.602 -9.696 -1.375 1.00 2.95 C ATOM 1789 CE1 HIS A 115 -6.533 -10.641 -0.966 1.00 4.09 C ATOM 1790 NE2 HIS A 115 -5.839 -10.004 -1.885 1.00 3.97 N ATOM 0 H HIS A 115 -2.270 -12.671 0.308 1.00 0.82 H new ATOM 0 HA HIS A 115 -2.231 -11.393 2.160 1.00 0.95 H new ATOM 0 HB2 HIS A 115 -3.707 -9.328 1.649 1.00 1.14 H new ATOM 0 HB3 HIS A 115 -2.538 -9.802 0.432 1.00 1.14 H new ATOM 0 HD1 HIS A 115 -6.077 -11.200 0.988 1.00 3.14 H new ATOM 0 HD2 HIS A 115 -3.809 -9.174 -1.891 1.00 2.95 H new ATOM 0 HE1 HIS A 115 -7.541 -11.011 -1.080 1.00 4.09 H new ATOM 1799 N TYR A 116 -3.692 -11.913 3.995 1.00 1.04 N ATOM 1800 CA TYR A 116 -4.533 -12.063 5.168 1.00 1.14 C ATOM 1801 C TYR A 116 -4.369 -10.849 6.069 1.00 1.04 C ATOM 1802 O TYR A 116 -3.414 -10.753 6.836 1.00 1.47 O ATOM 1803 CB TYR A 116 -4.202 -13.366 5.913 1.00 1.62 C ATOM 1804 CG TYR A 116 -2.732 -13.743 5.905 1.00 2.18 C ATOM 1805 CD1 TYR A 116 -1.790 -13.008 6.615 1.00 2.56 C ATOM 1806 CD2 TYR A 116 -2.291 -14.852 5.192 1.00 3.06 C ATOM 1807 CE1 TYR A 116 -0.453 -13.361 6.608 1.00 3.50 C ATOM 1808 CE2 TYR A 116 -0.956 -15.212 5.182 1.00 4.05 C ATOM 1809 CZ TYR A 116 -0.042 -14.464 5.891 1.00 4.18 C ATOM 1810 OH TYR A 116 1.286 -14.820 5.883 1.00 5.29 O ATOM 0 H TYR A 116 -2.697 -12.063 4.163 1.00 1.04 H new ATOM 0 HA TYR A 116 -5.576 -12.125 4.857 1.00 1.14 H new ATOM 0 HB2 TYR A 116 -4.534 -13.272 6.947 1.00 1.62 H new ATOM 0 HB3 TYR A 116 -4.775 -14.179 5.467 1.00 1.62 H new ATOM 0 HD1 TYR A 116 -2.108 -12.146 7.182 1.00 2.56 H new ATOM 0 HD2 TYR A 116 -3.004 -15.443 4.636 1.00 3.06 H new ATOM 0 HE1 TYR A 116 0.266 -12.775 7.162 1.00 3.50 H new ATOM 0 HE2 TYR A 116 -0.631 -16.076 4.621 1.00 4.05 H new ATOM 0 HH TYR A 116 1.407 -15.621 5.331 1.00 5.29 H new ATOM 1820 N ASP A 117 -5.321 -9.924 5.943 1.00 0.77 N ATOM 1821 CA ASP A 117 -5.346 -8.671 6.697 1.00 0.80 C ATOM 1822 C ASP A 117 -6.046 -7.604 5.870 1.00 0.72 C ATOM 1823 O ASP A 117 -6.675 -6.698 6.416 1.00 0.82 O ATOM 1824 CB ASP A 117 -3.937 -8.177 7.050 1.00 1.03 C ATOM 1825 CG ASP A 117 -3.117 -7.829 5.821 1.00 1.77 C ATOM 1826 OD1 ASP A 117 -2.893 -8.728 4.983 1.00 2.46 O ATOM 1827 OD2 ASP A 117 -2.698 -6.659 5.695 1.00 2.22 O ATOM 0 H ASP A 117 -6.109 -10.026 5.304 1.00 0.77 H new ATOM 0 HA ASP A 117 -5.880 -8.859 7.629 1.00 0.80 H new ATOM 0 HB2 ASP A 117 -4.014 -7.299 7.692 1.00 1.03 H new ATOM 0 HB3 ASP A 117 -3.419 -8.946 7.622 1.00 1.03 H new ATOM 1832 N MET A 118 -5.928 -7.719 4.543 1.00 0.69 N ATOM 1833 CA MET A 118 -6.550 -6.758 3.637 1.00 0.72 C ATOM 1834 C MET A 118 -8.044 -6.659 3.922 1.00 0.71 C ATOM 1835 O MET A 118 -8.594 -5.561 4.004 1.00 0.73 O ATOM 1836 CB MET A 118 -6.289 -7.129 2.163 1.00 0.83 C ATOM 1837 CG MET A 118 -6.869 -8.468 1.733 1.00 1.15 C ATOM 1838 SD MET A 118 -8.640 -8.404 1.394 1.00 2.40 S ATOM 1839 CE MET A 118 -9.006 -10.146 1.206 1.00 3.10 C ATOM 0 H MET A 118 -5.410 -8.465 4.078 1.00 0.69 H new ATOM 0 HA MET A 118 -6.099 -5.781 3.811 1.00 0.72 H new ATOM 0 HB2 MET A 118 -6.704 -6.347 1.527 1.00 0.83 H new ATOM 0 HB3 MET A 118 -5.213 -7.142 1.991 1.00 0.83 H new ATOM 0 HG2 MET A 118 -6.347 -8.812 0.840 1.00 1.15 H new ATOM 0 HG3 MET A 118 -6.682 -9.205 2.514 1.00 1.15 H new ATOM 0 HE1 MET A 118 -9.269 -10.353 0.169 1.00 3.10 H new ATOM 0 HE2 MET A 118 -8.131 -10.734 1.482 1.00 3.10 H new ATOM 0 HE3 MET A 118 -9.842 -10.414 1.852 1.00 3.10 H new ATOM 1849 N LYS A 119 -8.692 -7.811 4.095 1.00 0.80 N ATOM 1850 CA LYS A 119 -10.120 -7.849 4.389 1.00 0.95 C ATOM 1851 C LYS A 119 -10.391 -7.158 5.712 1.00 0.99 C ATOM 1852 O LYS A 119 -11.477 -6.629 5.949 1.00 1.24 O ATOM 1853 CB LYS A 119 -10.618 -9.293 4.441 1.00 1.15 C ATOM 1854 CG LYS A 119 -10.026 -10.096 5.584 1.00 1.30 C ATOM 1855 CD LYS A 119 -10.561 -11.517 5.601 1.00 1.70 C ATOM 1856 CE LYS A 119 -10.124 -12.252 6.854 1.00 2.06 C ATOM 1857 NZ LYS A 119 -10.629 -13.652 6.885 1.00 2.67 N ATOM 0 H LYS A 119 -8.249 -8.728 4.036 1.00 0.80 H new ATOM 0 HA LYS A 119 -10.655 -7.327 3.595 1.00 0.95 H new ATOM 0 HB2 LYS A 119 -11.704 -9.291 4.533 1.00 1.15 H new ATOM 0 HB3 LYS A 119 -10.378 -9.786 3.499 1.00 1.15 H new ATOM 0 HG2 LYS A 119 -8.940 -10.116 5.492 1.00 1.30 H new ATOM 0 HG3 LYS A 119 -10.257 -9.608 6.531 1.00 1.30 H new ATOM 0 HD2 LYS A 119 -11.650 -11.499 5.547 1.00 1.70 H new ATOM 0 HD3 LYS A 119 -10.207 -12.052 4.720 1.00 1.70 H new ATOM 0 HE2 LYS A 119 -9.035 -12.258 6.909 1.00 2.06 H new ATOM 0 HE3 LYS A 119 -10.485 -11.717 7.732 1.00 2.06 H new ATOM 0 HZ1 LYS A 119 -10.788 -13.942 7.871 1.00 2.67 H new ATOM 0 HZ2 LYS A 119 -11.524 -13.710 6.358 1.00 2.67 H new ATOM 0 HZ3 LYS A 119 -9.928 -14.284 6.447 1.00 2.67 H new ATOM 1871 N ASN A 120 -9.378 -7.164 6.566 1.00 0.90 N ATOM 1872 CA ASN A 120 -9.462 -6.537 7.872 1.00 1.04 C ATOM 1873 C ASN A 120 -8.977 -5.091 7.789 1.00 1.08 C ATOM 1874 O ASN A 120 -8.574 -4.497 8.790 1.00 1.35 O ATOM 1875 CB ASN A 120 -8.632 -7.338 8.878 1.00 1.08 C ATOM 1876 CG ASN A 120 -8.629 -6.731 10.267 1.00 1.41 C ATOM 1877 OD1 ASN A 120 -9.681 -6.522 10.871 1.00 1.77 O ATOM 1878 ND2 ASN A 120 -7.437 -6.451 10.777 1.00 1.84 N ATOM 0 H ASN A 120 -8.478 -7.603 6.372 1.00 0.90 H new ATOM 0 HA ASN A 120 -10.499 -6.527 8.208 1.00 1.04 H new ATOM 0 HB2 ASN A 120 -9.022 -8.354 8.933 1.00 1.08 H new ATOM 0 HB3 ASN A 120 -7.606 -7.410 8.517 1.00 1.08 H new ATOM 0 HD21 ASN A 120 -7.364 -6.044 11.709 1.00 1.84 H new ATOM 0 HD22 ASN A 120 -6.593 -6.643 10.237 1.00 1.84 H new ATOM 1885 N ARG A 121 -9.023 -4.524 6.583 1.00 0.93 N ATOM 1886 CA ARG A 121 -8.588 -3.150 6.377 1.00 1.06 C ATOM 1887 C ARG A 121 -9.094 -2.582 5.049 1.00 0.84 C ATOM 1888 O ARG A 121 -8.462 -2.723 3.995 1.00 0.87 O ATOM 1889 CB ARG A 121 -7.064 -3.051 6.453 1.00 1.31 C ATOM 1890 CG ARG A 121 -6.333 -3.891 5.423 1.00 1.14 C ATOM 1891 CD ARG A 121 -4.830 -3.733 5.550 1.00 1.39 C ATOM 1892 NE ARG A 121 -4.336 -4.203 6.842 1.00 1.56 N ATOM 1893 CZ ARG A 121 -3.060 -4.146 7.211 1.00 1.73 C ATOM 1894 NH1 ARG A 121 -2.152 -3.639 6.388 1.00 2.29 N ATOM 1895 NH2 ARG A 121 -2.690 -4.595 8.402 1.00 2.04 N ATOM 0 H ARG A 121 -9.356 -4.995 5.741 1.00 0.93 H new ATOM 0 HA ARG A 121 -9.022 -2.550 7.177 1.00 1.06 H new ATOM 0 HB2 ARG A 121 -6.772 -2.008 6.328 1.00 1.31 H new ATOM 0 HB3 ARG A 121 -6.741 -3.355 7.449 1.00 1.31 H new ATOM 0 HG2 ARG A 121 -6.603 -4.940 5.548 1.00 1.14 H new ATOM 0 HG3 ARG A 121 -6.648 -3.598 4.422 1.00 1.14 H new ATOM 0 HD2 ARG A 121 -4.339 -4.288 4.751 1.00 1.39 H new ATOM 0 HD3 ARG A 121 -4.564 -2.684 5.420 1.00 1.39 H new ATOM 0 HE ARG A 121 -5.009 -4.598 7.499 1.00 1.56 H new ATOM 0 HH11 ARG A 121 -2.432 -3.292 5.471 1.00 2.29 H new ATOM 0 HH12 ARG A 121 -1.173 -3.596 6.672 1.00 2.29 H new ATOM 0 HH21 ARG A 121 -3.385 -4.986 9.038 1.00 2.04 H new ATOM 0 HH22 ARG A 121 -1.710 -4.550 8.682 1.00 2.04 H new ATOM 1909 N GLY A 122 -10.233 -1.914 5.114 1.00 0.73 N ATOM 1910 CA GLY A 122 -10.795 -1.311 3.930 1.00 0.60 C ATOM 1911 C GLY A 122 -9.881 -0.249 3.370 1.00 0.57 C ATOM 1912 O GLY A 122 -9.980 0.120 2.203 1.00 0.59 O ATOM 0 H GLY A 122 -10.777 -1.779 5.966 1.00 0.73 H new ATOM 0 HA2 GLY A 122 -10.969 -2.079 3.176 1.00 0.60 H new ATOM 0 HA3 GLY A 122 -11.764 -0.872 4.168 1.00 0.60 H new ATOM 1916 N PHE A 123 -8.986 0.257 4.215 1.00 0.65 N ATOM 1917 CA PHE A 123 -8.057 1.296 3.802 1.00 0.72 C ATOM 1918 C PHE A 123 -6.991 0.753 2.850 1.00 0.80 C ATOM 1919 O PHE A 123 -5.867 1.242 2.786 1.00 1.14 O ATOM 1920 CB PHE A 123 -7.457 1.990 5.023 1.00 0.84 C ATOM 1921 CG PHE A 123 -6.773 1.087 6.014 1.00 0.95 C ATOM 1922 CD1 PHE A 123 -5.626 0.395 5.658 1.00 1.47 C ATOM 1923 CD2 PHE A 123 -7.290 0.904 7.287 1.00 1.10 C ATOM 1924 CE1 PHE A 123 -5.006 -0.459 6.551 1.00 2.04 C ATOM 1925 CE2 PHE A 123 -6.674 0.055 8.186 1.00 1.49 C ATOM 1926 CZ PHE A 123 -5.488 -0.533 7.875 1.00 1.98 C ATOM 0 H PHE A 123 -8.887 -0.037 5.187 1.00 0.65 H new ATOM 0 HA PHE A 123 -8.608 2.049 3.238 1.00 0.72 H new ATOM 0 HB2 PHE A 123 -6.738 2.733 4.679 1.00 0.84 H new ATOM 0 HB3 PHE A 123 -8.251 2.530 5.539 1.00 0.84 H new ATOM 0 HD1 PHE A 123 -5.211 0.525 4.669 1.00 1.47 H new ATOM 0 HD2 PHE A 123 -8.186 1.432 7.580 1.00 1.10 H new ATOM 0 HE1 PHE A 123 -4.165 -1.061 6.240 1.00 2.04 H new ATOM 0 HE2 PHE A 123 -7.137 -0.143 9.141 1.00 1.49 H new ATOM 0 HZ PHE A 123 -4.921 -1.051 8.634 1.00 1.98 H new ATOM 1936 N MET A 124 -7.397 -0.242 2.084 1.00 0.62 N ATOM 1937 CA MET A 124 -6.577 -0.878 1.074 1.00 0.68 C ATOM 1938 C MET A 124 -7.517 -1.543 0.081 1.00 0.64 C ATOM 1939 O MET A 124 -7.199 -1.707 -1.095 1.00 0.68 O ATOM 1940 CB MET A 124 -5.612 -1.904 1.676 1.00 0.80 C ATOM 1941 CG MET A 124 -4.506 -1.286 2.517 1.00 1.00 C ATOM 1942 SD MET A 124 -3.239 -2.476 2.992 1.00 1.91 S ATOM 1943 CE MET A 124 -2.132 -1.432 3.935 1.00 2.23 C ATOM 0 H MET A 124 -8.334 -0.640 2.150 1.00 0.62 H new ATOM 0 HA MET A 124 -5.955 -0.129 0.584 1.00 0.68 H new ATOM 0 HB2 MET A 124 -6.177 -2.603 2.293 1.00 0.80 H new ATOM 0 HB3 MET A 124 -5.162 -2.483 0.869 1.00 0.80 H new ATOM 0 HG2 MET A 124 -4.043 -0.473 1.958 1.00 1.00 H new ATOM 0 HG3 MET A 124 -4.941 -0.848 3.415 1.00 1.00 H new ATOM 0 HE1 MET A 124 -1.151 -1.903 3.995 1.00 2.23 H new ATOM 0 HE2 MET A 124 -2.040 -0.463 3.445 1.00 2.23 H new ATOM 0 HE3 MET A 124 -2.530 -1.294 4.940 1.00 2.23 H new ATOM 1953 N LEU A 125 -8.695 -1.916 0.589 1.00 0.61 N ATOM 1954 CA LEU A 125 -9.720 -2.556 -0.209 1.00 0.62 C ATOM 1955 C LEU A 125 -10.578 -1.540 -0.959 1.00 0.56 C ATOM 1956 O LEU A 125 -10.861 -1.739 -2.130 1.00 0.63 O ATOM 1957 CB LEU A 125 -10.573 -3.455 0.680 1.00 0.67 C ATOM 1958 CG LEU A 125 -9.772 -4.426 1.557 1.00 0.77 C ATOM 1959 CD1 LEU A 125 -10.638 -5.588 1.991 1.00 1.24 C ATOM 1960 CD2 LEU A 125 -8.532 -4.936 0.833 1.00 1.16 C ATOM 0 H LEU A 125 -8.955 -1.779 1.566 1.00 0.61 H new ATOM 0 HA LEU A 125 -9.232 -3.168 -0.968 1.00 0.62 H new ATOM 0 HB2 LEU A 125 -11.190 -2.828 1.324 1.00 0.67 H new ATOM 0 HB3 LEU A 125 -11.252 -4.030 0.050 1.00 0.67 H new ATOM 0 HG LEU A 125 -9.445 -3.879 2.441 1.00 0.77 H new ATOM 0 HD11 LEU A 125 -10.053 -6.266 2.612 1.00 1.24 H new ATOM 0 HD12 LEU A 125 -11.488 -5.215 2.562 1.00 1.24 H new ATOM 0 HD13 LEU A 125 -10.998 -6.122 1.112 1.00 1.24 H new ATOM 0 HD21 LEU A 125 -7.988 -5.621 1.483 1.00 1.16 H new ATOM 0 HD22 LEU A 125 -8.830 -5.458 -0.076 1.00 1.16 H new ATOM 0 HD23 LEU A 125 -7.890 -4.094 0.574 1.00 1.16 H new ATOM 1972 N TRP A 126 -10.980 -0.442 -0.306 1.00 0.48 N ATOM 1973 CA TRP A 126 -11.783 0.576 -0.993 1.00 0.48 C ATOM 1974 C TRP A 126 -10.953 1.197 -2.104 1.00 0.47 C ATOM 1975 O TRP A 126 -11.362 1.207 -3.266 1.00 0.48 O ATOM 1976 CB TRP A 126 -12.252 1.713 -0.070 1.00 0.52 C ATOM 1977 CG TRP A 126 -12.923 1.281 1.171 1.00 0.80 C ATOM 1978 CD1 TRP A 126 -12.400 1.363 2.409 1.00 1.33 C ATOM 1979 CD2 TRP A 126 -14.231 0.737 1.307 1.00 1.45 C ATOM 1980 NE1 TRP A 126 -13.293 0.878 3.332 1.00 1.82 N ATOM 1981 CE2 TRP A 126 -14.433 0.490 2.674 1.00 1.88 C ATOM 1982 CE3 TRP A 126 -15.249 0.429 0.406 1.00 2.11 C ATOM 1983 CZ2 TRP A 126 -15.616 -0.052 3.162 1.00 2.60 C ATOM 1984 CZ3 TRP A 126 -16.424 -0.108 0.894 1.00 2.88 C ATOM 1985 CH2 TRP A 126 -16.599 -0.344 2.260 1.00 3.03 C ATOM 0 H TRP A 126 -10.769 -0.239 0.671 1.00 0.48 H new ATOM 0 HA TRP A 126 -12.669 0.066 -1.372 1.00 0.48 H new ATOM 0 HB2 TRP A 126 -11.388 2.322 0.197 1.00 0.52 H new ATOM 0 HB3 TRP A 126 -12.934 2.354 -0.628 1.00 0.52 H new ATOM 0 HD1 TRP A 126 -11.420 1.754 2.642 1.00 1.33 H new ATOM 0 HE1 TRP A 126 -13.136 0.816 4.338 1.00 1.82 H new ATOM 0 HE3 TRP A 126 -15.122 0.607 -0.652 1.00 2.11 H new ATOM 0 HZ2 TRP A 126 -15.753 -0.236 4.217 1.00 2.60 H new ATOM 0 HZ3 TRP A 126 -17.222 -0.350 0.208 1.00 2.88 H new ATOM 0 HH2 TRP A 126 -17.530 -0.766 2.609 1.00 3.03 H new ATOM 1996 N PRO A 127 -9.764 1.739 -1.760 1.00 0.50 N ATOM 1997 CA PRO A 127 -8.886 2.377 -2.732 1.00 0.54 C ATOM 1998 C PRO A 127 -8.592 1.482 -3.933 1.00 0.53 C ATOM 1999 O PRO A 127 -8.727 1.897 -5.088 1.00 0.56 O ATOM 2000 CB PRO A 127 -7.598 2.656 -1.937 1.00 0.61 C ATOM 2001 CG PRO A 127 -7.712 1.819 -0.713 1.00 0.61 C ATOM 2002 CD PRO A 127 -9.173 1.786 -0.410 1.00 0.55 C ATOM 0 HA PRO A 127 -9.340 3.274 -3.154 1.00 0.54 H new ATOM 0 HB2 PRO A 127 -6.712 2.391 -2.515 1.00 0.61 H new ATOM 0 HB3 PRO A 127 -7.511 3.713 -1.686 1.00 0.61 H new ATOM 0 HG2 PRO A 127 -7.320 0.816 -0.881 1.00 0.61 H new ATOM 0 HG3 PRO A 127 -7.146 2.248 0.114 1.00 0.61 H new ATOM 0 HD2 PRO A 127 -9.447 0.915 0.186 1.00 0.55 H new ATOM 0 HD3 PRO A 127 -9.495 2.667 0.146 1.00 0.55 H new ATOM 2010 N LEU A 128 -8.181 0.252 -3.652 1.00 0.53 N ATOM 2011 CA LEU A 128 -7.853 -0.703 -4.699 1.00 0.56 C ATOM 2012 C LEU A 128 -9.112 -1.249 -5.365 1.00 0.54 C ATOM 2013 O LEU A 128 -9.092 -1.552 -6.554 1.00 0.61 O ATOM 2014 CB LEU A 128 -7.025 -1.858 -4.117 1.00 0.63 C ATOM 2015 CG LEU A 128 -6.202 -2.677 -5.127 1.00 0.79 C ATOM 2016 CD1 LEU A 128 -7.086 -3.390 -6.134 1.00 1.42 C ATOM 2017 CD2 LEU A 128 -5.200 -1.782 -5.840 1.00 1.55 C ATOM 0 H LEU A 128 -8.067 -0.107 -2.704 1.00 0.53 H new ATOM 0 HA LEU A 128 -7.267 -0.184 -5.457 1.00 0.56 H new ATOM 0 HB2 LEU A 128 -6.344 -1.450 -3.370 1.00 0.63 H new ATOM 0 HB3 LEU A 128 -7.701 -2.536 -3.595 1.00 0.63 H new ATOM 0 HG LEU A 128 -5.663 -3.442 -4.568 1.00 0.79 H new ATOM 0 HD11 LEU A 128 -6.464 -3.956 -6.828 1.00 1.42 H new ATOM 0 HD12 LEU A 128 -7.758 -4.071 -5.611 1.00 1.42 H new ATOM 0 HD13 LEU A 128 -7.672 -2.656 -6.688 1.00 1.42 H new ATOM 0 HD21 LEU A 128 -4.625 -2.374 -6.551 1.00 1.55 H new ATOM 0 HD22 LEU A 128 -5.731 -0.992 -6.371 1.00 1.55 H new ATOM 0 HD23 LEU A 128 -4.525 -1.337 -5.109 1.00 1.55 H new ATOM 2029 N PHE A 129 -10.207 -1.388 -4.613 1.00 0.50 N ATOM 2030 CA PHE A 129 -11.433 -1.922 -5.200 1.00 0.51 C ATOM 2031 C PHE A 129 -11.721 -1.201 -6.510 1.00 0.53 C ATOM 2032 O PHE A 129 -12.116 -1.819 -7.497 1.00 0.70 O ATOM 2033 CB PHE A 129 -12.628 -1.816 -4.261 1.00 0.49 C ATOM 2034 CG PHE A 129 -13.863 -2.464 -4.825 1.00 0.54 C ATOM 2035 CD1 PHE A 129 -14.114 -3.816 -4.615 1.00 0.60 C ATOM 2036 CD2 PHE A 129 -14.767 -1.727 -5.572 1.00 0.62 C ATOM 2037 CE1 PHE A 129 -15.244 -4.410 -5.141 1.00 0.71 C ATOM 2038 CE2 PHE A 129 -15.895 -2.320 -6.104 1.00 0.73 C ATOM 2039 CZ PHE A 129 -16.133 -3.664 -5.890 1.00 0.75 C ATOM 0 H PHE A 129 -10.269 -1.145 -3.624 1.00 0.50 H new ATOM 0 HA PHE A 129 -11.276 -2.985 -5.385 1.00 0.51 H new ATOM 0 HB2 PHE A 129 -12.380 -2.283 -3.308 1.00 0.49 H new ATOM 0 HB3 PHE A 129 -12.834 -0.765 -4.057 1.00 0.49 H new ATOM 0 HD1 PHE A 129 -13.419 -4.406 -4.036 1.00 0.60 H new ATOM 0 HD2 PHE A 129 -14.587 -0.675 -5.741 1.00 0.62 H new ATOM 0 HE1 PHE A 129 -15.433 -5.459 -4.967 1.00 0.71 H new ATOM 0 HE2 PHE A 129 -16.590 -1.734 -6.687 1.00 0.73 H new ATOM 0 HZ PHE A 129 -17.013 -4.131 -6.308 1.00 0.75 H new ATOM 2049 N GLU A 130 -11.476 0.111 -6.522 1.00 0.43 N ATOM 2050 CA GLU A 130 -11.669 0.908 -7.727 1.00 0.49 C ATOM 2051 C GLU A 130 -10.572 0.588 -8.736 1.00 0.53 C ATOM 2052 O GLU A 130 -10.845 0.403 -9.923 1.00 0.68 O ATOM 2053 CB GLU A 130 -11.673 2.409 -7.414 1.00 0.54 C ATOM 2054 CG GLU A 130 -13.025 2.937 -6.957 1.00 0.99 C ATOM 2055 CD GLU A 130 -13.463 2.374 -5.620 1.00 1.63 C ATOM 2056 OE1 GLU A 130 -12.812 2.688 -4.605 1.00 2.40 O ATOM 2057 OE2 GLU A 130 -14.459 1.620 -5.591 1.00 2.04 O ATOM 0 H GLU A 130 -11.146 0.638 -5.714 1.00 0.43 H new ATOM 0 HA GLU A 130 -12.641 0.654 -8.149 1.00 0.49 H new ATOM 0 HB2 GLU A 130 -10.934 2.611 -6.639 1.00 0.54 H new ATOM 0 HB3 GLU A 130 -11.361 2.957 -8.303 1.00 0.54 H new ATOM 0 HG2 GLU A 130 -12.980 4.024 -6.889 1.00 0.99 H new ATOM 0 HG3 GLU A 130 -13.776 2.696 -7.709 1.00 0.99 H new ATOM 2064 N ILE A 131 -9.330 0.499 -8.252 1.00 0.48 N ATOM 2065 CA ILE A 131 -8.196 0.171 -9.111 1.00 0.56 C ATOM 2066 C ILE A 131 -8.505 -1.076 -9.933 1.00 0.52 C ATOM 2067 O ILE A 131 -8.320 -1.104 -11.149 1.00 0.64 O ATOM 2068 CB ILE A 131 -6.921 -0.088 -8.280 1.00 0.77 C ATOM 2069 CG1 ILE A 131 -6.530 1.158 -7.481 1.00 0.77 C ATOM 2070 CG2 ILE A 131 -5.776 -0.532 -9.178 1.00 1.55 C ATOM 2071 CD1 ILE A 131 -6.250 2.373 -8.340 1.00 1.41 C ATOM 0 H ILE A 131 -9.088 0.649 -7.273 1.00 0.48 H new ATOM 0 HA ILE A 131 -8.024 1.023 -9.769 1.00 0.56 H new ATOM 0 HB ILE A 131 -7.133 -0.891 -7.574 1.00 0.77 H new ATOM 0 HG12 ILE A 131 -7.332 1.396 -6.782 1.00 0.77 H new ATOM 0 HG13 ILE A 131 -5.645 0.934 -6.886 1.00 0.77 H new ATOM 0 HG21 ILE A 131 -4.887 -0.709 -8.573 1.00 1.55 H new ATOM 0 HG22 ILE A 131 -6.053 -1.451 -9.694 1.00 1.55 H new ATOM 0 HG23 ILE A 131 -5.566 0.246 -9.912 1.00 1.55 H new ATOM 0 HD11 ILE A 131 -5.980 3.215 -7.703 1.00 1.41 H new ATOM 0 HD12 ILE A 131 -5.428 2.155 -9.021 1.00 1.41 H new ATOM 0 HD13 ILE A 131 -7.141 2.625 -8.915 1.00 1.41 H new ATOM 2083 N ALA A 132 -8.989 -2.099 -9.240 1.00 0.53 N ATOM 2084 CA ALA A 132 -9.349 -3.366 -9.856 1.00 0.58 C ATOM 2085 C ALA A 132 -10.282 -4.144 -8.928 1.00 0.56 C ATOM 2086 O ALA A 132 -9.835 -4.752 -7.956 1.00 0.63 O ATOM 2087 CB ALA A 132 -8.102 -4.177 -10.170 1.00 0.73 C ATOM 0 H ALA A 132 -9.143 -2.071 -8.232 1.00 0.53 H new ATOM 0 HA ALA A 132 -9.870 -3.171 -10.794 1.00 0.58 H new ATOM 0 HB1 ALA A 132 -8.389 -5.122 -10.631 1.00 0.73 H new ATOM 0 HB2 ALA A 132 -7.467 -3.617 -10.857 1.00 0.73 H new ATOM 0 HB3 ALA A 132 -7.554 -4.374 -9.248 1.00 0.73 H new ATOM 2093 N PRO A 133 -11.598 -4.113 -9.207 1.00 0.63 N ATOM 2094 CA PRO A 133 -12.604 -4.797 -8.394 1.00 0.66 C ATOM 2095 C PRO A 133 -12.626 -6.299 -8.638 1.00 0.88 C ATOM 2096 O PRO A 133 -13.692 -6.894 -8.773 1.00 1.24 O ATOM 2097 CB PRO A 133 -13.936 -4.171 -8.846 1.00 0.79 C ATOM 2098 CG PRO A 133 -13.576 -3.072 -9.795 1.00 0.82 C ATOM 2099 CD PRO A 133 -12.213 -3.401 -10.327 1.00 0.81 C ATOM 0 HA PRO A 133 -12.402 -4.678 -7.330 1.00 0.66 H new ATOM 0 HB2 PRO A 133 -14.571 -4.913 -9.331 1.00 0.79 H new ATOM 0 HB3 PRO A 133 -14.494 -3.783 -7.994 1.00 0.79 H new ATOM 0 HG2 PRO A 133 -14.303 -3.004 -10.604 1.00 0.82 H new ATOM 0 HG3 PRO A 133 -13.573 -2.107 -9.288 1.00 0.82 H new ATOM 0 HD2 PRO A 133 -12.266 -4.021 -11.222 1.00 0.81 H new ATOM 0 HD3 PRO A 133 -11.654 -2.504 -10.593 1.00 0.81 H new ATOM 2107 N GLU A 134 -11.441 -6.905 -8.692 1.00 0.90 N ATOM 2108 CA GLU A 134 -11.314 -8.341 -8.918 1.00 1.12 C ATOM 2109 C GLU A 134 -9.929 -8.840 -8.517 1.00 1.08 C ATOM 2110 O GLU A 134 -9.490 -9.889 -8.987 1.00 1.25 O ATOM 2111 CB GLU A 134 -11.559 -8.692 -10.394 1.00 1.34 C ATOM 2112 CG GLU A 134 -13.013 -8.611 -10.832 1.00 1.87 C ATOM 2113 CD GLU A 134 -13.203 -8.977 -12.291 1.00 2.20 C ATOM 2114 OE1 GLU A 134 -12.859 -10.116 -12.668 1.00 2.50 O ATOM 2115 OE2 GLU A 134 -13.697 -8.122 -13.058 1.00 2.61 O ATOM 0 H GLU A 134 -10.551 -6.419 -8.581 1.00 0.90 H new ATOM 0 HA GLU A 134 -12.067 -8.829 -8.300 1.00 1.12 H new ATOM 0 HB2 GLU A 134 -10.968 -8.020 -11.016 1.00 1.34 H new ATOM 0 HB3 GLU A 134 -11.193 -9.702 -10.579 1.00 1.34 H new ATOM 0 HG2 GLU A 134 -13.613 -9.278 -10.213 1.00 1.87 H new ATOM 0 HG3 GLU A 134 -13.384 -7.600 -10.663 1.00 1.87 H new ATOM 2122 N LEU A 135 -9.221 -8.088 -7.672 1.00 0.99 N ATOM 2123 CA LEU A 135 -7.879 -8.503 -7.276 1.00 1.03 C ATOM 2124 C LEU A 135 -7.772 -8.945 -5.822 1.00 1.50 C ATOM 2125 O LEU A 135 -7.101 -8.316 -5.004 1.00 2.32 O ATOM 2126 CB LEU A 135 -6.866 -7.417 -7.601 1.00 1.00 C ATOM 2127 CG LEU A 135 -6.540 -7.319 -9.087 1.00 1.43 C ATOM 2128 CD1 LEU A 135 -5.489 -6.249 -9.342 1.00 2.07 C ATOM 2129 CD2 LEU A 135 -6.079 -8.675 -9.613 1.00 2.26 C ATOM 0 H LEU A 135 -9.545 -7.213 -7.260 1.00 0.99 H new ATOM 0 HA LEU A 135 -7.650 -9.391 -7.864 1.00 1.03 H new ATOM 0 HB2 LEU A 135 -7.251 -6.457 -7.257 1.00 1.00 H new ATOM 0 HB3 LEU A 135 -5.947 -7.610 -7.047 1.00 1.00 H new ATOM 0 HG LEU A 135 -7.444 -7.029 -9.623 1.00 1.43 H new ATOM 0 HD11 LEU A 135 -5.273 -6.198 -10.409 1.00 2.07 H new ATOM 0 HD12 LEU A 135 -5.862 -5.284 -9.001 1.00 2.07 H new ATOM 0 HD13 LEU A 135 -4.577 -6.498 -8.799 1.00 2.07 H new ATOM 0 HD21 LEU A 135 -5.849 -8.594 -10.675 1.00 2.26 H new ATOM 0 HD22 LEU A 135 -5.187 -8.991 -9.071 1.00 2.26 H new ATOM 0 HD23 LEU A 135 -6.871 -9.410 -9.468 1.00 2.26 H new ATOM 2141 N VAL A 136 -8.405 -10.074 -5.545 1.00 1.65 N ATOM 2142 CA VAL A 136 -8.381 -10.707 -4.234 1.00 2.11 C ATOM 2143 C VAL A 136 -8.521 -12.211 -4.423 1.00 1.98 C ATOM 2144 O VAL A 136 -8.342 -12.988 -3.491 1.00 2.82 O ATOM 2145 CB VAL A 136 -9.481 -10.161 -3.293 1.00 2.85 C ATOM 2146 CG1 VAL A 136 -9.760 -11.111 -2.135 1.00 3.55 C ATOM 2147 CG2 VAL A 136 -9.072 -8.806 -2.759 1.00 3.66 C ATOM 0 H VAL A 136 -8.958 -10.584 -6.234 1.00 1.65 H new ATOM 0 HA VAL A 136 -7.432 -10.475 -3.752 1.00 2.11 H new ATOM 0 HB VAL A 136 -10.399 -10.068 -3.873 1.00 2.85 H new ATOM 0 HG11 VAL A 136 -10.538 -10.690 -1.498 1.00 3.55 H new ATOM 0 HG12 VAL A 136 -10.092 -12.073 -2.525 1.00 3.55 H new ATOM 0 HG13 VAL A 136 -8.850 -11.250 -1.551 1.00 3.55 H new ATOM 0 HG21 VAL A 136 -9.850 -8.426 -2.097 1.00 3.66 H new ATOM 0 HG22 VAL A 136 -8.138 -8.900 -2.205 1.00 3.66 H new ATOM 0 HG23 VAL A 136 -8.933 -8.114 -3.590 1.00 3.66 H new ATOM 2157 N PHE A 137 -8.822 -12.601 -5.668 1.00 1.34 N ATOM 2158 CA PHE A 137 -8.979 -14.003 -6.048 1.00 1.66 C ATOM 2159 C PHE A 137 -8.148 -14.942 -5.171 1.00 1.18 C ATOM 2160 O PHE A 137 -8.702 -15.878 -4.593 1.00 1.57 O ATOM 2161 CB PHE A 137 -8.627 -14.206 -7.522 1.00 2.23 C ATOM 2162 CG PHE A 137 -9.726 -13.804 -8.468 1.00 3.15 C ATOM 2163 CD1 PHE A 137 -10.426 -12.622 -8.287 1.00 3.49 C ATOM 2164 CD2 PHE A 137 -10.059 -14.617 -9.541 1.00 3.88 C ATOM 2165 CE1 PHE A 137 -11.436 -12.258 -9.156 1.00 4.44 C ATOM 2166 CE2 PHE A 137 -11.068 -14.257 -10.413 1.00 4.85 C ATOM 2167 CZ PHE A 137 -11.757 -13.076 -10.221 1.00 5.09 C ATOM 0 H PHE A 137 -8.963 -11.948 -6.439 1.00 1.34 H new ATOM 0 HA PHE A 137 -10.028 -14.257 -5.892 1.00 1.66 H new ATOM 0 HB2 PHE A 137 -7.731 -13.631 -7.755 1.00 2.23 H new ATOM 0 HB3 PHE A 137 -8.384 -15.256 -7.687 1.00 2.23 H new ATOM 0 HD1 PHE A 137 -10.179 -11.978 -7.456 1.00 3.49 H new ATOM 0 HD2 PHE A 137 -9.523 -15.542 -9.697 1.00 3.88 H new ATOM 0 HE1 PHE A 137 -11.974 -11.334 -9.003 1.00 4.44 H new ATOM 0 HE2 PHE A 137 -11.318 -14.899 -11.245 1.00 4.85 H new ATOM 0 HZ PHE A 137 -12.545 -12.793 -10.902 1.00 5.09 H new ATOM 2177 N PRO A 138 -6.817 -14.705 -5.028 1.00 0.88 N ATOM 2178 CA PRO A 138 -5.961 -15.534 -4.181 1.00 0.92 C ATOM 2179 C PRO A 138 -6.702 -15.902 -2.907 1.00 1.20 C ATOM 2180 O PRO A 138 -6.873 -17.075 -2.577 1.00 1.94 O ATOM 2181 CB PRO A 138 -4.762 -14.620 -3.875 1.00 1.24 C ATOM 2182 CG PRO A 138 -5.061 -13.312 -4.540 1.00 1.68 C ATOM 2183 CD PRO A 138 -6.042 -13.620 -5.627 1.00 1.44 C ATOM 0 HA PRO A 138 -5.661 -16.472 -4.649 1.00 0.92 H new ATOM 0 HB2 PRO A 138 -4.634 -14.491 -2.800 1.00 1.24 H new ATOM 0 HB3 PRO A 138 -3.836 -15.050 -4.257 1.00 1.24 H new ATOM 0 HG2 PRO A 138 -5.477 -12.598 -3.829 1.00 1.68 H new ATOM 0 HG3 PRO A 138 -4.154 -12.864 -4.947 1.00 1.68 H new ATOM 0 HD2 PRO A 138 -6.664 -12.760 -5.873 1.00 1.44 H new ATOM 0 HD3 PRO A 138 -5.548 -13.930 -6.548 1.00 1.44 H new ATOM 2191 N ASP A 139 -7.177 -14.868 -2.224 1.00 1.07 N ATOM 2192 CA ASP A 139 -7.955 -15.032 -1.008 1.00 1.62 C ATOM 2193 C ASP A 139 -9.356 -15.543 -1.349 1.00 1.65 C ATOM 2194 O ASP A 139 -9.830 -16.511 -0.750 1.00 2.28 O ATOM 2195 CB ASP A 139 -8.055 -13.704 -0.253 1.00 2.26 C ATOM 2196 CG ASP A 139 -8.796 -13.837 1.064 1.00 2.93 C ATOM 2197 OD1 ASP A 139 -9.992 -14.199 1.036 1.00 3.20 O ATOM 2198 OD2 ASP A 139 -8.185 -13.577 2.121 1.00 3.67 O ATOM 0 H ASP A 139 -7.033 -13.896 -2.498 1.00 1.07 H new ATOM 0 HA ASP A 139 -7.453 -15.760 -0.370 1.00 1.62 H new ATOM 0 HB2 ASP A 139 -7.052 -13.321 -0.064 1.00 2.26 H new ATOM 0 HB3 ASP A 139 -8.564 -12.971 -0.880 1.00 2.26 H new ATOM 2203 N GLY A 140 -10.023 -14.899 -2.320 1.00 1.25 N ATOM 2204 CA GLY A 140 -11.354 -15.342 -2.699 1.00 1.72 C ATOM 2205 C GLY A 140 -11.998 -14.584 -3.855 1.00 1.31 C ATOM 2206 O GLY A 140 -12.559 -15.208 -4.755 1.00 1.85 O ATOM 0 H GLY A 140 -9.668 -14.095 -2.837 1.00 1.25 H new ATOM 0 HA2 GLY A 140 -11.304 -16.398 -2.964 1.00 1.72 H new ATOM 0 HA3 GLY A 140 -12.005 -15.262 -1.829 1.00 1.72 H new ATOM 2210 N GLU A 141 -11.955 -13.249 -3.841 1.00 0.75 N ATOM 2211 CA GLU A 141 -12.585 -12.474 -4.915 1.00 0.94 C ATOM 2212 C GLU A 141 -12.110 -11.025 -4.968 1.00 0.82 C ATOM 2213 O GLU A 141 -11.079 -10.729 -5.570 1.00 1.19 O ATOM 2214 CB GLU A 141 -14.108 -12.505 -4.769 1.00 1.56 C ATOM 2215 CG GLU A 141 -14.606 -12.353 -3.335 1.00 1.38 C ATOM 2216 CD GLU A 141 -16.101 -12.574 -3.214 1.00 2.16 C ATOM 2217 OE1 GLU A 141 -16.865 -11.814 -3.846 1.00 2.97 O ATOM 2218 OE2 GLU A 141 -16.506 -13.504 -2.486 1.00 2.47 O ATOM 0 H GLU A 141 -11.502 -12.692 -3.116 1.00 0.75 H new ATOM 0 HA GLU A 141 -12.285 -12.947 -5.850 1.00 0.94 H new ATOM 0 HB2 GLU A 141 -14.535 -11.707 -5.376 1.00 1.56 H new ATOM 0 HB3 GLU A 141 -14.481 -13.447 -5.172 1.00 1.56 H new ATOM 0 HG2 GLU A 141 -14.084 -13.064 -2.695 1.00 1.38 H new ATOM 0 HG3 GLU A 141 -14.359 -11.356 -2.972 1.00 1.38 H new ATOM 2225 N MET A 142 -12.881 -10.123 -4.360 1.00 0.57 N ATOM 2226 CA MET A 142 -12.551 -8.717 -4.350 1.00 0.54 C ATOM 2227 C MET A 142 -12.112 -8.286 -2.981 1.00 0.58 C ATOM 2228 O MET A 142 -12.141 -9.057 -2.030 1.00 0.92 O ATOM 2229 CB MET A 142 -13.747 -7.877 -4.793 1.00 0.57 C ATOM 2230 CG MET A 142 -14.129 -8.126 -6.230 1.00 0.67 C ATOM 2231 SD MET A 142 -15.638 -7.272 -6.735 1.00 1.32 S ATOM 2232 CE MET A 142 -16.889 -8.297 -5.965 1.00 1.58 C ATOM 0 H MET A 142 -13.743 -10.354 -3.867 1.00 0.57 H new ATOM 0 HA MET A 142 -11.731 -8.562 -5.051 1.00 0.54 H new ATOM 0 HB2 MET A 142 -14.599 -8.098 -4.151 1.00 0.57 H new ATOM 0 HB3 MET A 142 -13.513 -6.821 -4.661 1.00 0.57 H new ATOM 0 HG2 MET A 142 -13.309 -7.810 -6.875 1.00 0.67 H new ATOM 0 HG3 MET A 142 -14.259 -9.197 -6.382 1.00 0.67 H new ATOM 0 HE1 MET A 142 -17.570 -8.674 -6.728 1.00 1.58 H new ATOM 0 HE2 MET A 142 -16.411 -9.136 -5.459 1.00 1.58 H new ATOM 0 HE3 MET A 142 -17.448 -7.706 -5.239 1.00 1.58 H new ATOM 2242 N LEU A 143 -11.701 -7.049 -2.899 1.00 0.55 N ATOM 2243 CA LEU A 143 -11.244 -6.471 -1.655 1.00 0.62 C ATOM 2244 C LEU A 143 -12.414 -5.985 -0.832 1.00 0.56 C ATOM 2245 O LEU A 143 -12.688 -6.451 0.273 1.00 0.60 O ATOM 2246 CB LEU A 143 -10.374 -5.260 -1.946 1.00 0.76 C ATOM 2247 CG LEU A 143 -9.401 -5.415 -3.093 1.00 0.81 C ATOM 2248 CD1 LEU A 143 -9.322 -4.129 -3.881 1.00 1.54 C ATOM 2249 CD2 LEU A 143 -8.023 -5.816 -2.587 1.00 1.70 C ATOM 0 H LEU A 143 -11.672 -6.409 -3.692 1.00 0.55 H new ATOM 0 HA LEU A 143 -10.691 -7.239 -1.114 1.00 0.62 H new ATOM 0 HB2 LEU A 143 -11.024 -4.410 -2.156 1.00 0.76 H new ATOM 0 HB3 LEU A 143 -9.811 -5.015 -1.046 1.00 0.76 H new ATOM 0 HG LEU A 143 -9.762 -6.208 -3.747 1.00 0.81 H new ATOM 0 HD11 LEU A 143 -8.619 -4.250 -4.705 1.00 1.54 H new ATOM 0 HD12 LEU A 143 -10.307 -3.884 -4.278 1.00 1.54 H new ATOM 0 HD13 LEU A 143 -8.983 -3.323 -3.230 1.00 1.54 H new ATOM 0 HD21 LEU A 143 -7.342 -5.921 -3.431 1.00 1.70 H new ATOM 0 HD22 LEU A 143 -7.647 -5.049 -1.910 1.00 1.70 H new ATOM 0 HD23 LEU A 143 -8.092 -6.766 -2.056 1.00 1.70 H new ATOM 2261 N ARG A 144 -13.039 -4.976 -1.394 1.00 0.53 N ATOM 2262 CA ARG A 144 -14.135 -4.271 -0.774 1.00 0.52 C ATOM 2263 C ARG A 144 -15.293 -5.132 -0.290 1.00 0.61 C ATOM 2264 O ARG A 144 -15.589 -5.134 0.885 1.00 0.69 O ATOM 2265 CB ARG A 144 -14.651 -3.195 -1.696 1.00 0.53 C ATOM 2266 CG ARG A 144 -15.878 -2.477 -1.182 1.00 0.58 C ATOM 2267 CD ARG A 144 -16.420 -1.500 -2.213 1.00 0.85 C ATOM 2268 NE ARG A 144 -17.663 -0.870 -1.775 1.00 1.18 N ATOM 2269 CZ ARG A 144 -18.332 0.024 -2.495 1.00 1.39 C ATOM 2270 NH1 ARG A 144 -17.877 0.395 -3.685 1.00 1.59 N ATOM 2271 NH2 ARG A 144 -19.459 0.545 -2.030 1.00 2.16 N ATOM 0 H ARG A 144 -12.793 -4.615 -2.316 1.00 0.53 H new ATOM 0 HA ARG A 144 -13.705 -3.844 0.132 1.00 0.52 H new ATOM 0 HB2 ARG A 144 -13.859 -2.465 -1.863 1.00 0.53 H new ATOM 0 HB3 ARG A 144 -14.883 -3.641 -2.663 1.00 0.53 H new ATOM 0 HG2 ARG A 144 -16.648 -3.205 -0.928 1.00 0.58 H new ATOM 0 HG3 ARG A 144 -15.631 -1.942 -0.265 1.00 0.58 H new ATOM 0 HD2 ARG A 144 -15.674 -0.730 -2.409 1.00 0.85 H new ATOM 0 HD3 ARG A 144 -16.592 -2.024 -3.153 1.00 0.85 H new ATOM 0 HE ARG A 144 -18.039 -1.132 -0.864 1.00 1.18 H new ATOM 0 HH11 ARG A 144 -17.012 -0.006 -4.048 1.00 1.59 H new ATOM 0 HH12 ARG A 144 -18.392 1.081 -4.237 1.00 1.59 H new ATOM 0 HH21 ARG A 144 -19.814 0.260 -1.117 1.00 2.16 H new ATOM 0 HH22 ARG A 144 -19.971 1.231 -2.585 1.00 2.16 H new ATOM 2285 N GLN A 145 -15.984 -5.814 -1.177 1.00 0.76 N ATOM 2286 CA GLN A 145 -17.146 -6.598 -0.754 1.00 0.92 C ATOM 2287 C GLN A 145 -16.871 -7.382 0.538 1.00 0.89 C ATOM 2288 O GLN A 145 -17.757 -7.511 1.384 1.00 0.97 O ATOM 2289 CB GLN A 145 -17.650 -7.506 -1.882 1.00 1.21 C ATOM 2290 CG GLN A 145 -16.545 -8.096 -2.730 1.00 0.96 C ATOM 2291 CD GLN A 145 -15.502 -8.773 -1.892 1.00 1.54 C ATOM 2292 OE1 GLN A 145 -14.463 -8.022 -1.568 1.00 2.27 O flip ATOM 2293 NE2 GLN A 145 -15.642 -9.934 -1.511 1.00 1.87 N flip ATOM 0 H GLN A 145 -15.777 -5.849 -2.175 1.00 0.76 H new ATOM 0 HA GLN A 145 -17.946 -5.893 -0.526 1.00 0.92 H new ATOM 0 HB2 GLN A 145 -18.235 -8.317 -1.449 1.00 1.21 H new ATOM 0 HB3 GLN A 145 -18.322 -6.935 -2.523 1.00 1.21 H new ATOM 0 HG2 GLN A 145 -16.969 -8.814 -3.432 1.00 0.96 H new ATOM 0 HG3 GLN A 145 -16.080 -7.307 -3.322 1.00 0.96 H new ATOM 0 HE21 GLN A 145 -16.465 -10.467 -1.792 1.00 1.87 H new ATOM 0 HE22 GLN A 145 -14.935 -10.364 -0.914 1.00 1.87 H new ATOM 2302 N ILE A 146 -15.641 -7.861 0.720 1.00 0.85 N ATOM 2303 CA ILE A 146 -15.292 -8.581 1.939 1.00 0.90 C ATOM 2304 C ILE A 146 -15.273 -7.640 3.131 1.00 0.85 C ATOM 2305 O ILE A 146 -15.790 -7.959 4.200 1.00 1.01 O ATOM 2306 CB ILE A 146 -13.887 -9.205 1.877 1.00 0.95 C ATOM 2307 CG1 ILE A 146 -13.691 -10.058 0.634 1.00 1.06 C ATOM 2308 CG2 ILE A 146 -13.635 -10.039 3.125 1.00 1.24 C ATOM 2309 CD1 ILE A 146 -12.232 -10.355 0.375 1.00 1.06 C ATOM 0 H ILE A 146 -14.880 -7.764 0.048 1.00 0.85 H new ATOM 0 HA ILE A 146 -16.048 -9.360 2.040 1.00 0.90 H new ATOM 0 HB ILE A 146 -13.168 -8.387 1.827 1.00 0.95 H new ATOM 0 HG12 ILE A 146 -14.237 -10.995 0.747 1.00 1.06 H new ATOM 0 HG13 ILE A 146 -14.115 -9.544 -0.229 1.00 1.06 H new ATOM 0 HG21 ILE A 146 -12.638 -10.478 3.074 1.00 1.24 H new ATOM 0 HG22 ILE A 146 -13.707 -9.404 4.008 1.00 1.24 H new ATOM 0 HG23 ILE A 146 -14.378 -10.834 3.188 1.00 1.24 H new ATOM 0 HD11 ILE A 146 -12.139 -10.967 -0.522 1.00 1.06 H new ATOM 0 HD12 ILE A 146 -11.690 -9.420 0.235 1.00 1.06 H new ATOM 0 HD13 ILE A 146 -11.814 -10.893 1.226 1.00 1.06 H new ATOM 2321 N LEU A 147 -14.618 -6.497 2.945 1.00 0.72 N ATOM 2322 CA LEU A 147 -14.462 -5.519 4.018 1.00 0.75 C ATOM 2323 C LEU A 147 -15.638 -4.557 4.086 1.00 0.71 C ATOM 2324 O LEU A 147 -15.810 -3.819 5.054 1.00 0.81 O ATOM 2325 CB LEU A 147 -13.124 -4.801 3.816 1.00 0.92 C ATOM 2326 CG LEU A 147 -13.127 -3.378 3.230 1.00 0.82 C ATOM 2327 CD1 LEU A 147 -13.945 -3.271 1.978 1.00 1.36 C ATOM 2328 CD2 LEU A 147 -13.592 -2.358 4.250 1.00 1.66 C ATOM 0 H LEU A 147 -14.187 -6.225 2.061 1.00 0.72 H new ATOM 0 HA LEU A 147 -14.454 -6.026 4.983 1.00 0.75 H new ATOM 0 HB2 LEU A 147 -12.623 -4.759 4.783 1.00 0.92 H new ATOM 0 HB3 LEU A 147 -12.510 -5.424 3.166 1.00 0.92 H new ATOM 0 HG LEU A 147 -12.093 -3.159 2.964 1.00 0.82 H new ATOM 0 HD11 LEU A 147 -13.912 -2.246 1.608 1.00 1.36 H new ATOM 0 HD12 LEU A 147 -13.541 -3.943 1.221 1.00 1.36 H new ATOM 0 HD13 LEU A 147 -14.978 -3.546 2.193 1.00 1.36 H new ATOM 0 HD21 LEU A 147 -13.582 -1.364 3.802 1.00 1.66 H new ATOM 0 HD22 LEU A 147 -14.605 -2.600 4.571 1.00 1.66 H new ATOM 0 HD23 LEU A 147 -12.924 -2.374 5.111 1.00 1.66 H new ATOM 2340 N HIS A 148 -16.452 -4.598 3.061 1.00 0.71 N ATOM 2341 CA HIS A 148 -17.624 -3.764 2.976 1.00 0.76 C ATOM 2342 C HIS A 148 -18.674 -4.344 3.898 1.00 0.83 C ATOM 2343 O HIS A 148 -19.540 -3.641 4.420 1.00 0.92 O ATOM 2344 CB HIS A 148 -18.102 -3.719 1.522 1.00 0.79 C ATOM 2345 CG HIS A 148 -19.347 -2.915 1.291 1.00 0.93 C ATOM 2346 ND1 HIS A 148 -20.024 -2.064 2.102 1.00 1.04 N flip ATOM 2347 CD2 HIS A 148 -20.023 -2.911 0.089 1.00 1.02 C flip ATOM 2348 CE1 HIS A 148 -21.082 -1.570 1.380 1.00 1.20 C flip ATOM 2349 NE2 HIS A 148 -21.060 -2.097 0.170 1.00 1.19 N flip ATOM 0 H HIS A 148 -16.319 -5.214 2.259 1.00 0.71 H new ATOM 0 HA HIS A 148 -17.412 -2.740 3.285 1.00 0.76 H new ATOM 0 HB2 HIS A 148 -17.303 -3.309 0.905 1.00 0.79 H new ATOM 0 HB3 HIS A 148 -18.277 -4.739 1.181 1.00 0.79 H new ATOM 0 HD1 HIS A 148 -19.791 -1.834 3.068 1.00 1.04 H new ATOM 0 HD2 HIS A 148 -19.747 -3.485 -0.783 1.00 1.02 H new ATOM 0 HE1 HIS A 148 -21.814 -0.864 1.743 1.00 1.20 H new ATOM 2358 N THR A 149 -18.569 -5.649 4.102 1.00 0.86 N ATOM 2359 CA THR A 149 -19.487 -6.357 4.966 1.00 0.97 C ATOM 2360 C THR A 149 -18.877 -6.619 6.346 1.00 1.00 C ATOM 2361 O THR A 149 -19.610 -6.751 7.328 1.00 1.13 O ATOM 2362 CB THR A 149 -19.877 -7.689 4.323 1.00 1.02 C ATOM 2363 OG1 THR A 149 -18.782 -8.588 4.339 1.00 1.35 O ATOM 2364 CG2 THR A 149 -20.325 -7.550 2.884 1.00 1.48 C ATOM 0 H THR A 149 -17.852 -6.237 3.676 1.00 0.86 H new ATOM 0 HA THR A 149 -20.369 -5.731 5.098 1.00 0.97 H new ATOM 0 HB THR A 149 -20.712 -8.063 4.915 1.00 1.02 H new ATOM 0 HG1 THR A 149 -17.943 -8.082 4.312 1.00 1.35 H new ATOM 0 HG21 THR A 149 -20.587 -8.531 2.488 1.00 1.48 H new ATOM 0 HG22 THR A 149 -21.195 -6.895 2.835 1.00 1.48 H new ATOM 0 HG23 THR A 149 -19.516 -7.124 2.291 1.00 1.48 H new ATOM 2372 N ARG A 150 -17.547 -6.742 6.423 1.00 0.91 N ATOM 2373 CA ARG A 150 -16.909 -7.047 7.706 1.00 0.97 C ATOM 2374 C ARG A 150 -15.978 -5.955 8.260 1.00 0.97 C ATOM 2375 O ARG A 150 -15.592 -6.044 9.427 1.00 1.16 O ATOM 2376 CB ARG A 150 -16.144 -8.369 7.608 1.00 1.01 C ATOM 2377 CG ARG A 150 -14.762 -8.255 6.984 1.00 1.12 C ATOM 2378 CD ARG A 150 -14.048 -9.596 6.998 1.00 1.43 C ATOM 2379 NE ARG A 150 -13.867 -10.101 8.357 1.00 1.84 N ATOM 2380 CZ ARG A 150 -13.382 -11.307 8.639 1.00 2.15 C ATOM 2381 NH1 ARG A 150 -13.059 -12.140 7.660 1.00 2.45 N ATOM 2382 NH2 ARG A 150 -13.228 -11.683 9.901 1.00 2.86 N ATOM 0 H ARG A 150 -16.907 -6.638 5.635 1.00 0.91 H new ATOM 0 HA ARG A 150 -17.732 -7.114 8.418 1.00 0.97 H new ATOM 0 HB2 ARG A 150 -16.043 -8.790 8.608 1.00 1.01 H new ATOM 0 HB3 ARG A 150 -16.735 -9.074 7.023 1.00 1.01 H new ATOM 0 HG2 ARG A 150 -14.850 -7.896 5.959 1.00 1.12 H new ATOM 0 HG3 ARG A 150 -14.172 -7.519 7.530 1.00 1.12 H new ATOM 0 HD2 ARG A 150 -14.620 -10.318 6.415 1.00 1.43 H new ATOM 0 HD3 ARG A 150 -13.076 -9.495 6.515 1.00 1.43 H new ATOM 0 HE ARG A 150 -14.128 -9.494 9.134 1.00 1.84 H new ATOM 0 HH11 ARG A 150 -13.182 -11.857 6.688 1.00 2.45 H new ATOM 0 HH12 ARG A 150 -12.687 -13.064 7.879 1.00 2.45 H new ATOM 0 HH21 ARG A 150 -13.482 -11.047 10.657 1.00 2.86 H new ATOM 0 HH22 ARG A 150 -12.856 -12.608 10.116 1.00 2.86 H new ATOM 2396 N ALA A 151 -15.585 -4.943 7.477 1.00 0.88 N ATOM 2397 CA ALA A 151 -14.690 -3.932 8.014 1.00 0.91 C ATOM 2398 C ALA A 151 -15.354 -2.570 8.054 1.00 0.92 C ATOM 2399 O ALA A 151 -16.004 -2.216 9.038 1.00 1.18 O ATOM 2400 CB ALA A 151 -13.400 -3.885 7.209 1.00 0.89 C ATOM 0 H ALA A 151 -15.865 -4.810 6.505 1.00 0.88 H new ATOM 0 HA ALA A 151 -14.448 -4.207 9.040 1.00 0.91 H new ATOM 0 HB1 ALA A 151 -12.740 -3.123 7.623 1.00 0.89 H new ATOM 0 HB2 ALA A 151 -12.907 -4.856 7.255 1.00 0.89 H new ATOM 0 HB3 ALA A 151 -13.628 -3.642 6.171 1.00 0.89 H new ATOM 2406 N PHE A 152 -15.180 -1.801 6.992 1.00 0.79 N ATOM 2407 CA PHE A 152 -15.754 -0.477 6.924 1.00 0.99 C ATOM 2408 C PHE A 152 -17.000 -0.447 6.047 1.00 0.88 C ATOM 2409 O PHE A 152 -17.638 -1.477 5.822 1.00 1.32 O ATOM 2410 CB PHE A 152 -14.713 0.494 6.397 1.00 1.26 C ATOM 2411 CG PHE A 152 -13.575 0.736 7.349 1.00 2.02 C ATOM 2412 CD1 PHE A 152 -12.662 -0.269 7.625 1.00 2.81 C ATOM 2413 CD2 PHE A 152 -13.416 1.969 7.962 1.00 2.37 C ATOM 2414 CE1 PHE A 152 -11.612 -0.049 8.497 1.00 3.76 C ATOM 2415 CE2 PHE A 152 -12.367 2.194 8.835 1.00 3.27 C ATOM 2416 CZ PHE A 152 -11.479 1.181 9.120 1.00 3.92 C ATOM 0 H PHE A 152 -14.645 -2.075 6.168 1.00 0.79 H new ATOM 0 HA PHE A 152 -16.059 -0.182 7.928 1.00 0.99 H new ATOM 0 HB2 PHE A 152 -14.314 0.111 5.458 1.00 1.26 H new ATOM 0 HB3 PHE A 152 -15.196 1.445 6.173 1.00 1.26 H new ATOM 0 HD1 PHE A 152 -12.772 -1.235 7.154 1.00 2.81 H new ATOM 0 HD2 PHE A 152 -14.119 2.763 7.756 1.00 2.37 H new ATOM 0 HE1 PHE A 152 -10.897 -0.835 8.692 1.00 3.76 H new ATOM 0 HE2 PHE A 152 -12.244 3.164 9.293 1.00 3.27 H new ATOM 0 HZ PHE A 152 -10.680 1.345 9.828 1.00 3.92 H new ATOM 2426 N ASP A 153 -17.346 0.742 5.555 1.00 0.92 N ATOM 2427 CA ASP A 153 -18.520 0.903 4.706 1.00 1.10 C ATOM 2428 C ASP A 153 -18.270 1.911 3.580 1.00 1.14 C ATOM 2429 O ASP A 153 -19.097 2.029 2.677 1.00 1.88 O ATOM 2430 CB ASP A 153 -19.721 1.345 5.547 1.00 1.43 C ATOM 2431 CG ASP A 153 -20.983 1.496 4.721 1.00 2.10 C ATOM 2432 OD1 ASP A 153 -21.419 0.494 4.113 1.00 2.58 O ATOM 2433 OD2 ASP A 153 -21.535 2.614 4.678 1.00 2.80 O ATOM 0 H ASP A 153 -16.830 1.604 5.731 1.00 0.92 H new ATOM 0 HA ASP A 153 -18.733 -0.063 4.248 1.00 1.10 H new ATOM 0 HB2 ASP A 153 -19.894 0.616 6.339 1.00 1.43 H new ATOM 0 HB3 ASP A 153 -19.492 2.294 6.031 1.00 1.43 H new ATOM 2438 N LYS A 154 -17.118 2.611 3.648 1.00 0.75 N ATOM 2439 CA LYS A 154 -16.704 3.619 2.650 1.00 0.78 C ATOM 2440 C LYS A 154 -15.989 4.779 3.348 1.00 0.91 C ATOM 2441 O LYS A 154 -16.633 5.684 3.879 1.00 1.80 O ATOM 2442 CB LYS A 154 -17.898 4.154 1.839 1.00 0.89 C ATOM 2443 CG LYS A 154 -17.516 4.947 0.597 1.00 0.86 C ATOM 2444 CD LYS A 154 -17.178 6.390 0.923 1.00 1.03 C ATOM 2445 CE LYS A 154 -16.848 7.183 -0.331 1.00 1.54 C ATOM 2446 NZ LYS A 154 -16.526 8.604 -0.022 1.00 2.17 N ATOM 0 H LYS A 154 -16.444 2.491 4.404 1.00 0.75 H new ATOM 0 HA LYS A 154 -16.024 3.130 1.952 1.00 0.78 H new ATOM 0 HB2 LYS A 154 -18.523 3.313 1.539 1.00 0.89 H new ATOM 0 HB3 LYS A 154 -18.505 4.787 2.486 1.00 0.89 H new ATOM 0 HG2 LYS A 154 -16.660 4.475 0.115 1.00 0.86 H new ATOM 0 HG3 LYS A 154 -18.339 4.920 -0.117 1.00 0.86 H new ATOM 0 HD2 LYS A 154 -18.019 6.854 1.437 1.00 1.03 H new ATOM 0 HD3 LYS A 154 -16.330 6.420 1.607 1.00 1.03 H new ATOM 0 HE2 LYS A 154 -16.002 6.722 -0.840 1.00 1.54 H new ATOM 0 HE3 LYS A 154 -17.693 7.144 -1.018 1.00 1.54 H new ATOM 0 HZ1 LYS A 154 -15.934 8.999 -0.781 1.00 2.17 H new ATOM 0 HZ2 LYS A 154 -17.407 9.152 0.051 1.00 2.17 H new ATOM 0 HZ3 LYS A 154 -16.011 8.655 0.880 1.00 2.17 H new ATOM 2460 N LEU A 155 -14.655 4.743 3.345 1.00 0.61 N ATOM 2461 CA LEU A 155 -13.847 5.791 3.978 1.00 0.61 C ATOM 2462 C LEU A 155 -14.052 7.142 3.290 1.00 0.68 C ATOM 2463 O LEU A 155 -15.064 7.357 2.629 1.00 0.89 O ATOM 2464 CB LEU A 155 -12.366 5.398 3.956 1.00 0.60 C ATOM 2465 CG LEU A 155 -11.980 4.262 4.913 1.00 0.60 C ATOM 2466 CD1 LEU A 155 -10.515 3.897 4.740 1.00 1.18 C ATOM 2467 CD2 LEU A 155 -12.255 4.671 6.354 1.00 1.23 C ATOM 0 H LEU A 155 -14.109 3.999 2.911 1.00 0.61 H new ATOM 0 HA LEU A 155 -14.173 5.893 5.013 1.00 0.61 H new ATOM 0 HB2 LEU A 155 -12.099 5.104 2.941 1.00 0.60 H new ATOM 0 HB3 LEU A 155 -11.769 6.277 4.200 1.00 0.60 H new ATOM 0 HG LEU A 155 -12.585 3.387 4.675 1.00 0.60 H new ATOM 0 HD11 LEU A 155 -10.258 3.090 5.426 1.00 1.18 H new ATOM 0 HD12 LEU A 155 -10.340 3.571 3.715 1.00 1.18 H new ATOM 0 HD13 LEU A 155 -9.895 4.767 4.955 1.00 1.18 H new ATOM 0 HD21 LEU A 155 -11.977 3.856 7.023 1.00 1.23 H new ATOM 0 HD22 LEU A 155 -11.670 5.557 6.599 1.00 1.23 H new ATOM 0 HD23 LEU A 155 -13.316 4.892 6.473 1.00 1.23 H new ATOM 2479 N ASN A 156 -13.095 8.055 3.440 1.00 0.66 N ATOM 2480 CA ASN A 156 -13.205 9.366 2.822 1.00 0.77 C ATOM 2481 C ASN A 156 -12.085 9.558 1.820 1.00 0.65 C ATOM 2482 O ASN A 156 -10.926 9.702 2.204 1.00 0.69 O ATOM 2483 CB ASN A 156 -13.150 10.468 3.885 1.00 1.04 C ATOM 2484 CG ASN A 156 -14.346 10.454 4.825 1.00 1.66 C ATOM 2485 OD1 ASN A 156 -14.400 11.226 5.783 1.00 2.44 O ATOM 2486 ND2 ASN A 156 -15.318 9.587 4.554 1.00 2.12 N ATOM 0 H ASN A 156 -12.242 7.909 3.981 1.00 0.66 H new ATOM 0 HA ASN A 156 -14.163 9.429 2.307 1.00 0.77 H new ATOM 0 HB2 ASN A 156 -12.236 10.356 4.468 1.00 1.04 H new ATOM 0 HB3 ASN A 156 -13.096 11.438 3.391 1.00 1.04 H new ATOM 0 HD21 ASN A 156 -16.145 9.546 5.149 1.00 2.12 H new ATOM 0 HD22 ASN A 156 -15.236 8.964 3.751 1.00 2.12 H new ATOM 2493 N LYS A 157 -12.430 9.550 0.536 1.00 0.64 N ATOM 2494 CA LYS A 157 -11.430 9.721 -0.505 1.00 0.64 C ATOM 2495 C LYS A 157 -10.733 11.058 -0.324 1.00 0.68 C ATOM 2496 O LYS A 157 -11.124 12.069 -0.907 1.00 0.95 O ATOM 2497 CB LYS A 157 -12.064 9.625 -1.891 1.00 0.79 C ATOM 2498 CG LYS A 157 -11.059 9.378 -3.006 1.00 0.96 C ATOM 2499 CD LYS A 157 -10.258 8.106 -2.764 1.00 1.67 C ATOM 2500 CE LYS A 157 -11.150 6.872 -2.689 1.00 1.70 C ATOM 2501 NZ LYS A 157 -11.887 6.643 -3.962 1.00 2.51 N ATOM 0 H LYS A 157 -13.384 9.428 0.197 1.00 0.64 H new ATOM 0 HA LYS A 157 -10.694 8.921 -0.422 1.00 0.64 H new ATOM 0 HB2 LYS A 157 -12.798 8.819 -1.890 1.00 0.79 H new ATOM 0 HB3 LYS A 157 -12.604 10.549 -2.099 1.00 0.79 H new ATOM 0 HG2 LYS A 157 -11.583 9.304 -3.959 1.00 0.96 H new ATOM 0 HG3 LYS A 157 -10.380 10.228 -3.080 1.00 0.96 H new ATOM 0 HD2 LYS A 157 -9.530 7.978 -3.565 1.00 1.67 H new ATOM 0 HD3 LYS A 157 -9.696 8.203 -1.835 1.00 1.67 H new ATOM 0 HE2 LYS A 157 -10.541 5.997 -2.459 1.00 1.70 H new ATOM 0 HE3 LYS A 157 -11.863 6.988 -1.872 1.00 1.70 H new ATOM 0 HZ1 LYS A 157 -12.361 5.718 -3.927 1.00 2.51 H new ATOM 0 HZ2 LYS A 157 -12.597 7.392 -4.092 1.00 2.51 H new ATOM 0 HZ3 LYS A 157 -11.218 6.659 -4.758 1.00 2.51 H new ATOM 2515 N TRP A 158 -9.700 11.039 0.505 1.00 0.73 N ATOM 2516 CA TRP A 158 -8.924 12.225 0.810 1.00 0.83 C ATOM 2517 C TRP A 158 -9.829 13.376 1.247 1.00 1.08 C ATOM 2518 O TRP A 158 -10.312 13.342 2.397 1.00 1.47 O ATOM 2519 CB TRP A 158 -8.090 12.635 -0.407 1.00 0.85 C ATOM 2520 CG TRP A 158 -7.073 13.697 -0.114 1.00 1.04 C ATOM 2521 CD1 TRP A 158 -6.189 13.724 0.928 1.00 1.51 C ATOM 2522 CD2 TRP A 158 -6.833 14.888 -0.875 1.00 1.55 C ATOM 2523 NE1 TRP A 158 -5.414 14.857 0.860 1.00 1.52 N ATOM 2524 CE2 TRP A 158 -5.791 15.589 -0.237 1.00 1.52 C ATOM 2525 CE3 TRP A 158 -7.398 15.429 -2.033 1.00 2.50 C ATOM 2526 CZ2 TRP A 158 -5.305 16.801 -0.719 1.00 2.07 C ATOM 2527 CZ3 TRP A 158 -6.914 16.633 -2.511 1.00 3.24 C ATOM 2528 CH2 TRP A 158 -5.877 17.307 -1.855 1.00 2.95 C ATOM 2529 OXT TRP A 158 -10.049 14.300 0.434 1.00 1.75 O ATOM 0 H TRP A 158 -9.378 10.198 0.984 1.00 0.73 H new ATOM 0 HA TRP A 158 -8.254 11.992 1.637 1.00 0.83 H new ATOM 0 HB2 TRP A 158 -7.580 11.755 -0.799 1.00 0.85 H new ATOM 0 HB3 TRP A 158 -8.759 12.992 -1.190 1.00 0.85 H new ATOM 0 HD1 TRP A 158 -6.111 12.966 1.693 1.00 1.51 H new ATOM 0 HE1 TRP A 158 -4.678 15.112 1.518 1.00 1.52 H new ATOM 0 HE3 TRP A 158 -8.198 14.916 -2.545 1.00 2.50 H new ATOM 0 HZ2 TRP A 158 -4.505 17.323 -0.215 1.00 2.07 H new ATOM 0 HZ3 TRP A 158 -7.343 17.060 -3.405 1.00 3.24 H new ATOM 0 HH2 TRP A 158 -5.521 18.246 -2.253 1.00 2.95 H new