USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 841 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 58 SER OG : rot -63:sc= -1.99! USER MOD Set 1.2: A 60 TYR OH : rot 21:sc= 0.932 USER MOD Set 1.3: A 113 ASN : amide:sc= -11.3! C(o=-12!,f=-15!) USER MOD Set 2.1: A 94 SER OG : rot 180:sc= 0.00561 USER MOD Set 2.2: A 98 HIS : no HD1:sc= -0.748 X(o=-0.74,f=-0.28) USER MOD Set 3.1: A 69 MET CE :methyl -109:sc= -7.85! (180deg=-14.7!) USER MOD Set 3.2: A 89 GLN : amide:sc= -9.61! C(o=-17!,f=-20!) USER MOD Set 4.1: A 57 SER OG : rot 180:sc= -0.744 USER MOD Set 4.2: A 115 HIS : no HD1:sc= -0.369 X(o=-1.1,f=-0.87) USER MOD Set 5.1: A 53 ASN : amide:sc= -6.1! C(o=-5.1!,f=-8.8!) USER MOD Set 5.2: A 55 THR OG1 : rot 80:sc= 1.02 USER MOD Single : A 8 SER OG : rot -36:sc= 0.215 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= -0.506 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00396 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 93:sc= 0.00945 USER MOD Single : A 23 GLN : amide:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 27 ASN : amide:sc= -5.19! C(o=-5.2!,f=-6.5!) USER MOD Single : A 32 GLN : amide:sc= -2.24 K(o=-2.2,f=-5.7!) USER MOD Single : A 36 SER OG : rot 70:sc= -1.73 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.209 F(o=-0.91,f=-0.21) USER MOD Single : A 47 THR OG1 : rot 60:sc= 0.33 USER MOD Single : A 50 TYR OH : rot 100:sc= -2.9! USER MOD Single : A 61 SER OG : rot -133:sc= 0.939 USER MOD Single : A 62 SER OG : rot 2:sc= -0.378 USER MOD Single : A 63 LYS NZ :NH3+ 142:sc= 0.807 (180deg=0.117) USER MOD Single : A 65 ASN :FLIP amide:sc= -7.58! C(o=-11!,f=-7.6!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 90:sc= 1.12 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -116:sc= -2.67! (180deg=-7.67!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0499 USER MOD Single : A 97 ASN : amide:sc= -0.666 X(o=-0.67,f=-1.1) USER MOD Single : A 99 SER OG : rot 6:sc= 0.446! USER MOD Single : A 106 SER OG : rot 180:sc= -0.0141 USER MOD Single : A 107 SER OG : rot -75:sc= 0.611 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -127:sc= -4.06! (180deg=-7.18!) USER MOD Single : A 116 SER OG : rot 180:sc= -2.74 USER MOD Single : A 118 LYS NZ :NH3+ -124:sc= -0.116 (180deg=-2.05!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 8 1.658 -12.786 -1.848 1.00 0.00 N ATOM 2 CA SER A 8 1.818 -11.336 -1.906 1.00 0.00 C ATOM 3 C SER A 8 0.731 -10.709 -2.769 1.00 0.00 C ATOM 4 O SER A 8 0.465 -11.170 -3.877 1.00 0.00 O ATOM 5 CB SER A 8 3.197 -10.975 -2.462 1.00 0.00 C ATOM 6 OG SER A 8 3.481 -11.708 -3.641 1.00 0.00 O ATOM 0 HA SER A 8 1.729 -10.943 -0.893 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.238 -9.907 -2.676 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.960 -11.179 -1.711 1.00 0.00 H new ATOM 0 HG SER A 8 3.101 -12.608 -3.566 1.00 0.00 H new ATOM 12 N TRP A 9 0.103 -9.659 -2.257 1.00 0.00 N ATOM 13 CA TRP A 9 -0.963 -8.982 -2.985 1.00 0.00 C ATOM 14 C TRP A 9 -0.665 -7.499 -3.169 1.00 0.00 C ATOM 15 O TRP A 9 -0.250 -6.813 -2.232 1.00 0.00 O ATOM 16 CB TRP A 9 -2.297 -9.142 -2.247 1.00 0.00 C ATOM 17 CG TRP A 9 -2.557 -10.534 -1.760 1.00 0.00 C ATOM 18 CD1 TRP A 9 -3.471 -11.419 -2.255 1.00 0.00 C ATOM 19 CD2 TRP A 9 -1.901 -11.201 -0.676 1.00 0.00 C ATOM 20 NE1 TRP A 9 -3.420 -12.595 -1.548 1.00 0.00 N ATOM 21 CE2 TRP A 9 -2.463 -12.486 -0.574 1.00 0.00 C ATOM 22 CE3 TRP A 9 -0.890 -10.836 0.216 1.00 0.00 C ATOM 23 CZ2 TRP A 9 -2.047 -13.406 0.385 1.00 0.00 C ATOM 24 CZ3 TRP A 9 -0.478 -11.749 1.166 1.00 0.00 C ATOM 25 CH2 TRP A 9 -1.054 -13.022 1.243 1.00 0.00 C ATOM 0 H TRP A 9 0.312 -9.258 -1.343 1.00 0.00 H new ATOM 0 HA TRP A 9 -1.028 -9.445 -3.970 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -2.315 -8.461 -1.396 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -3.107 -8.843 -2.912 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -4.137 -11.223 -3.082 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -4.000 -13.416 -1.720 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -0.438 -9.856 0.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -2.493 -14.388 0.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.302 -11.476 1.861 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -0.707 -13.715 1.995 1.00 0.00 H new ATOM 36 N THR A 10 -0.910 -7.006 -4.381 1.00 0.00 N ATOM 37 CA THR A 10 -0.707 -5.598 -4.692 1.00 0.00 C ATOM 38 C THR A 10 -2.056 -4.916 -4.828 1.00 0.00 C ATOM 39 O THR A 10 -3.076 -5.575 -5.032 1.00 0.00 O ATOM 40 CB THR A 10 0.096 -5.421 -5.984 1.00 0.00 C ATOM 41 OG1 THR A 10 0.249 -6.658 -6.657 1.00 0.00 O ATOM 42 CG2 THR A 10 1.476 -4.848 -5.750 1.00 0.00 C ATOM 0 H THR A 10 -1.250 -7.565 -5.164 1.00 0.00 H new ATOM 0 HA THR A 10 -0.138 -5.144 -3.880 1.00 0.00 H new ATOM 0 HB THR A 10 -0.477 -4.717 -6.588 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.763 -6.521 -7.480 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.994 -4.747 -6.703 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.388 -3.869 -5.279 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.041 -5.515 -5.099 1.00 0.00 H new ATOM 50 N TYR A 11 -2.067 -3.601 -4.708 1.00 0.00 N ATOM 51 CA TYR A 11 -3.307 -2.853 -4.814 1.00 0.00 C ATOM 52 C TYR A 11 -3.106 -1.591 -5.638 1.00 0.00 C ATOM 53 O TYR A 11 -2.694 -0.554 -5.118 1.00 0.00 O ATOM 54 CB TYR A 11 -3.832 -2.499 -3.421 1.00 0.00 C ATOM 55 CG TYR A 11 -3.473 -3.511 -2.351 1.00 0.00 C ATOM 56 CD1 TYR A 11 -2.158 -3.675 -1.935 1.00 0.00 C ATOM 57 CD2 TYR A 11 -4.450 -4.302 -1.762 1.00 0.00 C ATOM 58 CE1 TYR A 11 -1.827 -4.597 -0.961 1.00 0.00 C ATOM 59 CE2 TYR A 11 -4.127 -5.227 -0.788 1.00 0.00 C ATOM 60 CZ TYR A 11 -2.815 -5.371 -0.391 1.00 0.00 C ATOM 61 OH TYR A 11 -2.490 -6.293 0.577 1.00 0.00 O ATOM 0 H TYR A 11 -1.238 -3.032 -4.538 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.043 -3.478 -5.319 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.438 -1.525 -3.132 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.917 -2.403 -3.466 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.381 -3.071 -2.381 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -5.479 -4.192 -2.070 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.800 -4.711 -0.648 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -4.899 -5.835 -0.340 1.00 0.00 H new ATOM 0 HH TYR A 11 -3.302 -6.754 0.875 1.00 0.00 H new ATOM 71 N THR A 12 -3.402 -1.686 -6.930 1.00 0.00 N ATOM 72 CA THR A 12 -3.254 -0.551 -7.827 1.00 0.00 C ATOM 73 C THR A 12 -4.313 0.505 -7.527 1.00 0.00 C ATOM 74 O THR A 12 -5.455 0.176 -7.205 1.00 0.00 O ATOM 75 CB THR A 12 -3.361 -1.002 -9.284 1.00 0.00 C ATOM 76 OG1 THR A 12 -4.511 -1.805 -9.479 1.00 0.00 O ATOM 77 CG2 THR A 12 -2.161 -1.797 -9.754 1.00 0.00 C ATOM 0 H THR A 12 -3.745 -2.537 -7.377 1.00 0.00 H new ATOM 0 HA THR A 12 -2.268 -0.115 -7.668 1.00 0.00 H new ATOM 0 HB THR A 12 -3.419 -0.082 -9.866 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.562 -2.081 -10.418 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.301 -2.086 -10.796 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.262 -1.187 -9.665 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.054 -2.692 -9.141 1.00 0.00 H new ATOM 85 N ALA A 13 -3.931 1.773 -7.629 1.00 0.00 N ATOM 86 CA ALA A 13 -4.854 2.868 -7.360 1.00 0.00 C ATOM 87 C ALA A 13 -5.944 2.958 -8.424 1.00 0.00 C ATOM 88 O ALA A 13 -6.996 3.554 -8.195 1.00 0.00 O ATOM 89 CB ALA A 13 -4.099 4.185 -7.261 1.00 0.00 C ATOM 0 H ALA A 13 -2.991 2.067 -7.895 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.339 2.666 -6.405 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.802 4.993 -7.060 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.371 4.127 -6.452 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.582 4.379 -8.201 1.00 0.00 H new ATOM 95 N ALA A 14 -5.692 2.363 -9.586 1.00 0.00 N ATOM 96 CA ALA A 14 -6.661 2.381 -10.675 1.00 0.00 C ATOM 97 C ALA A 14 -7.872 1.516 -10.341 1.00 0.00 C ATOM 98 O ALA A 14 -8.988 1.798 -10.778 1.00 0.00 O ATOM 99 CB ALA A 14 -6.013 1.913 -11.968 1.00 0.00 C ATOM 0 H ALA A 14 -4.828 1.864 -9.797 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.004 3.407 -10.808 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.749 1.932 -12.772 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.184 2.574 -12.220 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.641 0.896 -11.841 1.00 0.00 H new ATOM 105 N SER A 15 -7.644 0.465 -9.561 1.00 0.00 N ATOM 106 CA SER A 15 -8.717 -0.438 -9.162 1.00 0.00 C ATOM 107 C SER A 15 -9.112 -0.196 -7.709 1.00 0.00 C ATOM 108 O SER A 15 -9.548 -1.114 -7.013 1.00 0.00 O ATOM 109 CB SER A 15 -8.287 -1.894 -9.351 1.00 0.00 C ATOM 110 OG SER A 15 -8.084 -2.194 -10.721 1.00 0.00 O ATOM 0 H SER A 15 -6.726 0.217 -9.193 1.00 0.00 H new ATOM 0 HA SER A 15 -9.581 -0.240 -9.796 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.368 -2.080 -8.795 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.048 -2.557 -8.940 1.00 0.00 H new ATOM 0 HG SER A 15 -7.808 -3.130 -10.814 1.00 0.00 H new ATOM 116 N ALA A 16 -8.954 1.044 -7.259 1.00 0.00 N ATOM 117 CA ALA A 16 -9.291 1.410 -5.888 1.00 0.00 C ATOM 118 C ALA A 16 -10.298 2.556 -5.860 1.00 0.00 C ATOM 119 O ALA A 16 -10.920 2.873 -6.873 1.00 0.00 O ATOM 120 CB ALA A 16 -8.031 1.790 -5.123 1.00 0.00 C ATOM 0 H ALA A 16 -8.594 1.813 -7.824 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.750 0.547 -5.406 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.294 2.062 -4.101 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.345 0.943 -5.108 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.551 2.638 -5.611 1.00 0.00 H new ATOM 126 N SER A 17 -10.450 3.174 -4.694 1.00 0.00 N ATOM 127 CA SER A 17 -11.378 4.287 -4.535 1.00 0.00 C ATOM 128 C SER A 17 -10.627 5.580 -4.236 1.00 0.00 C ATOM 129 O SER A 17 -10.154 5.791 -3.118 1.00 0.00 O ATOM 130 CB SER A 17 -12.374 3.990 -3.411 1.00 0.00 C ATOM 131 OG SER A 17 -13.308 3.001 -3.804 1.00 0.00 O ATOM 0 H SER A 17 -9.943 2.923 -3.845 1.00 0.00 H new ATOM 0 HA SER A 17 -11.923 4.412 -5.471 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.836 3.655 -2.524 1.00 0.00 H new ATOM 0 HB3 SER A 17 -12.901 4.904 -3.138 1.00 0.00 H new ATOM 0 HG SER A 17 -13.931 2.829 -3.068 1.00 0.00 H new ATOM 137 N ILE A 18 -10.520 6.442 -5.244 1.00 0.00 N ATOM 138 CA ILE A 18 -9.828 7.716 -5.087 1.00 0.00 C ATOM 139 C ILE A 18 -10.765 8.780 -4.525 1.00 0.00 C ATOM 140 O ILE A 18 -11.505 9.425 -5.268 1.00 0.00 O ATOM 141 CB ILE A 18 -9.246 8.221 -6.427 1.00 0.00 C ATOM 142 CG1 ILE A 18 -8.519 7.102 -7.194 1.00 0.00 C ATOM 143 CG2 ILE A 18 -8.304 9.386 -6.181 1.00 0.00 C ATOM 144 CD1 ILE A 18 -7.951 6.002 -6.319 1.00 0.00 C ATOM 0 H ILE A 18 -10.903 6.281 -6.176 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.008 7.543 -4.390 1.00 0.00 H new ATOM 0 HB ILE A 18 -10.080 8.554 -7.045 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -9.213 6.658 -7.907 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.707 7.544 -7.772 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.900 9.734 -7.132 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.848 10.198 -5.699 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.487 9.063 -5.536 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.457 5.258 -6.944 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.229 6.428 -5.622 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.758 5.528 -5.760 1.00 0.00 H new ATOM 156 N THR A 19 -10.731 8.956 -3.208 1.00 0.00 N ATOM 157 CA THR A 19 -11.579 9.942 -2.543 1.00 0.00 C ATOM 158 C THR A 19 -10.991 11.344 -2.668 1.00 0.00 C ATOM 159 O THR A 19 -9.874 11.599 -2.219 1.00 0.00 O ATOM 160 CB THR A 19 -11.753 9.579 -1.067 1.00 0.00 C ATOM 161 OG1 THR A 19 -12.287 8.274 -0.931 1.00 0.00 O ATOM 162 CG2 THR A 19 -12.666 10.529 -0.322 1.00 0.00 C ATOM 0 H THR A 19 -10.125 8.429 -2.579 1.00 0.00 H new ATOM 0 HA THR A 19 -12.553 9.934 -3.032 1.00 0.00 H new ATOM 0 HB THR A 19 -10.755 9.644 -0.633 1.00 0.00 H new ATOM 0 HG1 THR A 19 -11.555 7.628 -0.845 1.00 0.00 H new ATOM 0 HG21 THR A 19 -12.747 10.215 0.719 1.00 0.00 H new ATOM 0 HG22 THR A 19 -12.255 11.538 -0.366 1.00 0.00 H new ATOM 0 HG23 THR A 19 -13.654 10.519 -0.781 1.00 0.00 H new ATOM 170 N ALA A 20 -11.750 12.254 -3.274 1.00 0.00 N ATOM 171 CA ALA A 20 -11.298 13.632 -3.451 1.00 0.00 C ATOM 172 C ALA A 20 -10.832 14.228 -2.120 1.00 0.00 C ATOM 173 O ALA A 20 -11.256 13.779 -1.056 1.00 0.00 O ATOM 174 CB ALA A 20 -12.413 14.478 -4.049 1.00 0.00 C ATOM 0 H ALA A 20 -12.679 12.063 -3.650 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.451 13.630 -4.137 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.064 15.503 -4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.700 14.070 -5.018 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.275 14.468 -3.382 1.00 0.00 H new ATOM 180 N PRO A 21 -9.943 15.245 -2.152 1.00 0.00 N ATOM 181 CA PRO A 21 -9.400 15.825 -3.392 1.00 0.00 C ATOM 182 C PRO A 21 -8.485 14.871 -4.155 1.00 0.00 C ATOM 183 O PRO A 21 -7.897 15.250 -5.168 1.00 0.00 O ATOM 184 CB PRO A 21 -8.598 17.030 -2.896 1.00 0.00 C ATOM 185 CG PRO A 21 -8.226 16.675 -1.500 1.00 0.00 C ATOM 186 CD PRO A 21 -9.403 15.919 -0.958 1.00 0.00 C ATOM 0 HA PRO A 21 -10.197 16.069 -4.095 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.715 17.201 -3.512 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.191 17.944 -2.929 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.322 16.066 -1.476 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.025 17.567 -0.907 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.105 15.204 -0.191 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.137 16.586 -0.504 1.00 0.00 H new ATOM 194 N ALA A 22 -8.370 13.634 -3.681 1.00 0.00 N ATOM 195 CA ALA A 22 -7.532 12.652 -4.343 1.00 0.00 C ATOM 196 C ALA A 22 -8.001 12.428 -5.774 1.00 0.00 C ATOM 197 O ALA A 22 -9.201 12.420 -6.053 1.00 0.00 O ATOM 198 CB ALA A 22 -7.526 11.342 -3.571 1.00 0.00 C ATOM 0 H ALA A 22 -8.846 13.294 -2.845 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.512 13.036 -4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.892 10.620 -4.085 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.140 11.514 -2.566 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.542 10.952 -3.508 1.00 0.00 H new ATOM 204 N GLN A 23 -7.046 12.252 -6.670 1.00 0.00 N ATOM 205 CA GLN A 23 -7.345 12.034 -8.081 1.00 0.00 C ATOM 206 C GLN A 23 -6.457 10.940 -8.655 1.00 0.00 C ATOM 207 O GLN A 23 -5.296 10.803 -8.271 1.00 0.00 O ATOM 208 CB GLN A 23 -7.155 13.327 -8.877 1.00 0.00 C ATOM 209 CG GLN A 23 -7.619 14.573 -8.141 1.00 0.00 C ATOM 210 CD GLN A 23 -7.221 15.851 -8.852 1.00 0.00 C ATOM 211 OE1 GLN A 23 -8.065 16.690 -9.164 1.00 0.00 O ATOM 212 NE2 GLN A 23 -5.928 16.004 -9.113 1.00 0.00 N ATOM 0 H GLN A 23 -6.051 12.255 -6.447 1.00 0.00 H new ATOM 0 HA GLN A 23 -8.386 11.720 -8.161 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.100 13.436 -9.128 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.700 13.247 -9.817 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.703 14.544 -8.033 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.198 14.575 -7.135 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.263 15.282 -8.836 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.600 16.843 -9.591 1.00 0.00 H new ATOM 221 N LEU A 24 -7.010 10.161 -9.574 1.00 0.00 N ATOM 222 CA LEU A 24 -6.266 9.076 -10.197 1.00 0.00 C ATOM 223 C LEU A 24 -5.579 9.551 -11.473 1.00 0.00 C ATOM 224 O LEU A 24 -6.185 9.587 -12.544 1.00 0.00 O ATOM 225 CB LEU A 24 -7.207 7.906 -10.497 1.00 0.00 C ATOM 226 CG LEU A 24 -6.577 6.511 -10.413 1.00 0.00 C ATOM 227 CD1 LEU A 24 -5.795 6.208 -11.680 1.00 0.00 C ATOM 228 CD2 LEU A 24 -5.684 6.387 -9.186 1.00 0.00 C ATOM 0 H LEU A 24 -7.970 10.260 -9.904 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.493 8.741 -9.505 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.045 7.949 -9.801 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.617 8.040 -11.498 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.379 5.780 -10.317 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.353 5.214 -11.606 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.465 6.244 -12.539 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.005 6.948 -11.805 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.250 5.388 -9.151 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.886 7.127 -9.241 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.276 6.557 -8.287 1.00 0.00 H new ATOM 240 N VAL A 25 -4.309 9.926 -11.343 1.00 0.00 N ATOM 241 CA VAL A 25 -3.533 10.413 -12.481 1.00 0.00 C ATOM 242 C VAL A 25 -2.718 9.297 -13.141 1.00 0.00 C ATOM 243 O VAL A 25 -1.636 8.938 -12.676 1.00 0.00 O ATOM 244 CB VAL A 25 -2.591 11.577 -12.075 1.00 0.00 C ATOM 245 CG1 VAL A 25 -3.369 12.668 -11.356 1.00 0.00 C ATOM 246 CG2 VAL A 25 -1.435 11.094 -11.204 1.00 0.00 C ATOM 0 H VAL A 25 -3.795 9.902 -10.462 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.257 10.784 -13.207 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.167 11.987 -12.992 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.692 13.476 -11.079 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.146 13.056 -12.015 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.828 12.256 -10.458 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.799 11.940 -10.942 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.829 10.641 -10.295 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.850 10.356 -11.753 1.00 0.00 H new ATOM 256 N GLY A 26 -3.245 8.751 -14.234 1.00 0.00 N ATOM 257 CA GLY A 26 -2.554 7.693 -14.948 1.00 0.00 C ATOM 258 C GLY A 26 -2.326 6.468 -14.092 1.00 0.00 C ATOM 259 O GLY A 26 -1.187 6.059 -13.868 1.00 0.00 O ATOM 0 H GLY A 26 -4.141 9.024 -14.638 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.134 7.414 -15.828 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.594 8.067 -15.304 1.00 0.00 H new ATOM 263 N ASN A 27 -3.414 5.883 -13.613 1.00 0.00 N ATOM 264 CA ASN A 27 -3.335 4.698 -12.773 1.00 0.00 C ATOM 265 C ASN A 27 -2.531 4.980 -11.506 1.00 0.00 C ATOM 266 O ASN A 27 -2.027 4.059 -10.863 1.00 0.00 O ATOM 267 CB ASN A 27 -2.707 3.537 -13.544 1.00 0.00 C ATOM 268 CG ASN A 27 -3.276 2.194 -13.132 1.00 0.00 C ATOM 269 OD1 ASN A 27 -4.059 1.587 -13.863 1.00 0.00 O ATOM 270 ND2 ASN A 27 -2.885 1.721 -11.955 1.00 0.00 N ATOM 0 H ASN A 27 -4.363 6.211 -13.792 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.349 4.423 -12.484 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.868 3.684 -14.612 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.629 3.537 -13.381 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.235 0.822 -11.625 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.234 2.257 -11.381 1.00 0.00 H new ATOM 277 N VAL A 28 -2.413 6.259 -11.152 1.00 0.00 N ATOM 278 CA VAL A 28 -1.668 6.659 -9.962 1.00 0.00 C ATOM 279 C VAL A 28 -2.479 7.643 -9.121 1.00 0.00 C ATOM 280 O VAL A 28 -2.883 8.697 -9.605 1.00 0.00 O ATOM 281 CB VAL A 28 -0.315 7.308 -10.332 1.00 0.00 C ATOM 282 CG1 VAL A 28 0.692 7.125 -9.209 1.00 0.00 C ATOM 283 CG2 VAL A 28 0.228 6.733 -11.633 1.00 0.00 C ATOM 0 H VAL A 28 -2.824 7.034 -11.672 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.478 5.754 -9.385 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.482 8.375 -10.476 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.638 7.589 -9.489 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.313 7.593 -8.301 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.849 6.061 -9.030 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.181 7.207 -11.871 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.374 5.659 -11.523 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.482 6.922 -12.438 1.00 0.00 H new ATOM 293 N GLY A 29 -2.711 7.296 -7.858 1.00 0.00 N ATOM 294 CA GLY A 29 -3.472 8.165 -6.978 1.00 0.00 C ATOM 295 C GLY A 29 -2.739 9.454 -6.673 1.00 0.00 C ATOM 296 O GLY A 29 -1.513 9.475 -6.616 1.00 0.00 O ATOM 0 H GLY A 29 -2.386 6.430 -7.429 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.432 8.396 -7.439 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.684 7.640 -6.046 1.00 0.00 H new ATOM 300 N GLU A 30 -3.486 10.535 -6.480 1.00 0.00 N ATOM 301 CA GLU A 30 -2.883 11.831 -6.188 1.00 0.00 C ATOM 302 C GLU A 30 -3.738 12.631 -5.215 1.00 0.00 C ATOM 303 O GLU A 30 -4.777 13.173 -5.588 1.00 0.00 O ATOM 304 CB GLU A 30 -2.689 12.625 -7.477 1.00 0.00 C ATOM 305 CG GLU A 30 -1.314 12.444 -8.092 1.00 0.00 C ATOM 306 CD GLU A 30 -0.868 13.654 -8.890 1.00 0.00 C ATOM 307 OE1 GLU A 30 -1.502 14.723 -8.755 1.00 0.00 O ATOM 308 OE2 GLU A 30 0.114 13.534 -9.652 1.00 0.00 O ATOM 0 H GLU A 30 -4.505 10.541 -6.520 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.913 11.651 -5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.446 12.321 -8.200 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.851 13.683 -7.272 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.590 12.248 -7.302 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.323 11.568 -8.741 1.00 0.00 H new ATOM 315 N LEU A 31 -3.290 12.703 -3.969 1.00 0.00 N ATOM 316 CA LEU A 31 -4.011 13.440 -2.942 1.00 0.00 C ATOM 317 C LEU A 31 -3.577 14.900 -2.907 1.00 0.00 C ATOM 318 O LEU A 31 -2.498 15.250 -3.386 1.00 0.00 O ATOM 319 CB LEU A 31 -3.786 12.801 -1.574 1.00 0.00 C ATOM 320 CG LEU A 31 -3.663 11.273 -1.586 1.00 0.00 C ATOM 321 CD1 LEU A 31 -2.282 10.836 -1.119 1.00 0.00 C ATOM 322 CD2 LEU A 31 -4.742 10.644 -0.721 1.00 0.00 C ATOM 0 H LEU A 31 -2.430 12.260 -3.646 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.073 13.402 -3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.879 13.220 -1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.612 13.079 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.799 10.930 -2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.219 9.748 -1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.525 11.254 -1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.111 11.193 -0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.639 9.559 -0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.639 10.999 0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.724 10.922 -1.104 1.00 0.00 H new ATOM 334 N GLN A 32 -4.424 15.747 -2.332 1.00 0.00 N ATOM 335 CA GLN A 32 -4.130 17.170 -2.230 1.00 0.00 C ATOM 336 C GLN A 32 -4.877 17.795 -1.057 1.00 0.00 C ATOM 337 O GLN A 32 -5.986 18.305 -1.214 1.00 0.00 O ATOM 338 CB GLN A 32 -4.502 17.887 -3.528 1.00 0.00 C ATOM 339 CG GLN A 32 -3.341 18.038 -4.497 1.00 0.00 C ATOM 340 CD GLN A 32 -3.258 16.895 -5.490 1.00 0.00 C ATOM 341 OE1 GLN A 32 -4.063 15.965 -5.453 1.00 0.00 O ATOM 342 NE2 GLN A 32 -2.279 16.960 -6.386 1.00 0.00 N ATOM 0 H GLN A 32 -5.320 15.472 -1.930 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.059 17.282 -2.059 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.305 17.337 -4.019 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.894 18.875 -3.287 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.445 18.978 -5.039 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.409 18.095 -3.935 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.634 17.750 -6.380 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.173 16.220 -7.080 1.00 0.00 H new ATOM 351 N GLY A 33 -4.262 17.747 0.118 1.00 0.00 N ATOM 352 CA GLY A 33 -4.883 18.306 1.303 1.00 0.00 C ATOM 353 C GLY A 33 -5.731 17.291 2.043 1.00 0.00 C ATOM 354 O GLY A 33 -5.907 16.164 1.579 1.00 0.00 O ATOM 0 H GLY A 33 -3.344 17.331 0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.110 18.685 1.971 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.504 19.156 1.018 1.00 0.00 H new ATOM 358 N ALA A 34 -6.257 17.688 3.196 1.00 0.00 N ATOM 359 CA ALA A 34 -7.089 16.802 4.002 1.00 0.00 C ATOM 360 C ALA A 34 -8.372 16.431 3.265 1.00 0.00 C ATOM 361 O ALA A 34 -8.873 17.200 2.445 1.00 0.00 O ATOM 362 CB ALA A 34 -7.415 17.457 5.336 1.00 0.00 C ATOM 0 H ALA A 34 -6.122 18.618 3.594 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.529 15.885 4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.037 16.786 5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.491 17.666 5.874 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.952 18.390 5.162 1.00 0.00 H new ATOM 368 N GLY A 35 -8.899 15.248 3.565 1.00 0.00 N ATOM 369 CA GLY A 35 -10.120 14.796 2.925 1.00 0.00 C ATOM 370 C GLY A 35 -9.876 13.713 1.891 1.00 0.00 C ATOM 371 O GLY A 35 -10.750 12.885 1.635 1.00 0.00 O ATOM 0 H GLY A 35 -8.502 14.595 4.240 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.805 14.419 3.685 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.610 15.644 2.447 1.00 0.00 H new ATOM 375 N SER A 36 -8.689 13.719 1.294 1.00 0.00 N ATOM 376 CA SER A 36 -8.341 12.728 0.281 1.00 0.00 C ATOM 377 C SER A 36 -8.035 11.385 0.932 1.00 0.00 C ATOM 378 O SER A 36 -7.596 11.333 2.081 1.00 0.00 O ATOM 379 CB SER A 36 -7.138 13.199 -0.542 1.00 0.00 C ATOM 380 OG SER A 36 -6.662 14.456 -0.089 1.00 0.00 O ATOM 0 H SER A 36 -7.953 14.397 1.493 1.00 0.00 H new ATOM 0 HA SER A 36 -9.195 12.608 -0.386 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.339 12.461 -0.477 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.420 13.272 -1.592 1.00 0.00 H new ATOM 0 HG SER A 36 -6.242 14.349 0.790 1.00 0.00 H new ATOM 386 N ALA A 37 -8.271 10.297 0.203 1.00 0.00 N ATOM 387 CA ALA A 37 -8.014 8.970 0.744 1.00 0.00 C ATOM 388 C ALA A 37 -8.116 7.872 -0.311 1.00 0.00 C ATOM 389 O ALA A 37 -9.213 7.496 -0.725 1.00 0.00 O ATOM 390 CB ALA A 37 -8.978 8.683 1.886 1.00 0.00 C ATOM 0 H ALA A 37 -8.634 10.309 -0.750 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.987 8.966 1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.781 7.689 2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.842 9.425 2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.003 8.729 1.517 1.00 0.00 H new ATOM 396 N VAL A 38 -6.967 7.329 -0.705 1.00 0.00 N ATOM 397 CA VAL A 38 -6.931 6.234 -1.671 1.00 0.00 C ATOM 398 C VAL A 38 -7.019 4.913 -0.917 1.00 0.00 C ATOM 399 O VAL A 38 -6.002 4.353 -0.509 1.00 0.00 O ATOM 400 CB VAL A 38 -5.642 6.237 -2.528 1.00 0.00 C ATOM 401 CG1 VAL A 38 -5.817 7.077 -3.780 1.00 0.00 C ATOM 402 CG2 VAL A 38 -4.448 6.727 -1.729 1.00 0.00 C ATOM 0 H VAL A 38 -6.051 7.628 -0.371 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.775 6.364 -2.349 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.452 5.207 -2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.895 7.060 -4.361 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.632 6.671 -4.380 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.050 8.104 -3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.559 6.717 -2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.635 7.743 -1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.291 6.073 -0.871 1.00 0.00 H new ATOM 412 N ILE A 39 -8.241 4.438 -0.700 1.00 0.00 N ATOM 413 CA ILE A 39 -8.452 3.203 0.049 1.00 0.00 C ATOM 414 C ILE A 39 -8.593 1.986 -0.859 1.00 0.00 C ATOM 415 O ILE A 39 -8.938 2.102 -2.034 1.00 0.00 O ATOM 416 CB ILE A 39 -9.699 3.307 0.949 1.00 0.00 C ATOM 417 CG1 ILE A 39 -9.584 4.533 1.857 1.00 0.00 C ATOM 418 CG2 ILE A 39 -9.879 2.040 1.774 1.00 0.00 C ATOM 419 CD1 ILE A 39 -8.564 4.379 2.967 1.00 0.00 C ATOM 0 H ILE A 39 -9.096 4.886 -1.030 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.563 3.067 0.665 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.579 3.420 0.316 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.319 5.399 1.250 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.559 4.739 2.298 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.765 2.137 2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.998 1.186 1.108 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.003 1.889 2.405 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.540 5.288 3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.838 3.534 3.598 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.579 4.204 2.534 1.00 0.00 H new ATOM 431 N TRP A 40 -8.326 0.815 -0.286 1.00 0.00 N ATOM 432 CA TRP A 40 -8.422 -0.444 -1.011 1.00 0.00 C ATOM 433 C TRP A 40 -9.232 -1.457 -0.210 1.00 0.00 C ATOM 434 O TRP A 40 -9.183 -1.467 1.022 1.00 0.00 O ATOM 435 CB TRP A 40 -7.028 -1.007 -1.284 1.00 0.00 C ATOM 436 CG TRP A 40 -6.380 -0.438 -2.506 1.00 0.00 C ATOM 437 CD1 TRP A 40 -6.632 -0.777 -3.803 1.00 0.00 C ATOM 438 CD2 TRP A 40 -5.363 0.568 -2.541 1.00 0.00 C ATOM 439 NE1 TRP A 40 -5.828 -0.047 -4.645 1.00 0.00 N ATOM 440 CE2 TRP A 40 -5.041 0.787 -3.893 1.00 0.00 C ATOM 441 CE3 TRP A 40 -4.692 1.304 -1.561 1.00 0.00 C ATOM 442 CZ2 TRP A 40 -4.077 1.711 -4.288 1.00 0.00 C ATOM 443 CZ3 TRP A 40 -3.737 2.220 -1.956 1.00 0.00 C ATOM 444 CH2 TRP A 40 -3.438 2.416 -3.306 1.00 0.00 C ATOM 0 H TRP A 40 -8.039 0.715 0.688 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.924 -0.255 -1.960 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.391 -0.812 -0.421 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -7.097 -2.090 -1.391 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.357 -1.511 -4.121 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.818 -0.114 -5.663 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.916 1.159 -0.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.843 1.865 -5.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -3.212 2.795 -1.208 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.685 3.140 -3.580 1.00 0.00 H new ATOM 455 N ASN A 41 -9.969 -2.309 -0.913 1.00 0.00 N ATOM 456 CA ASN A 41 -10.786 -3.328 -0.261 1.00 0.00 C ATOM 457 C ASN A 41 -10.159 -4.710 -0.419 1.00 0.00 C ATOM 458 O ASN A 41 -10.102 -5.256 -1.520 1.00 0.00 O ATOM 459 CB ASN A 41 -12.210 -3.331 -0.832 1.00 0.00 C ATOM 460 CG ASN A 41 -12.250 -3.006 -2.314 1.00 0.00 C ATOM 461 OD1 ASN A 41 -12.110 -1.727 -2.642 1.00 0.00 O flip ATOM 462 ND2 ASN A 41 -12.406 -3.895 -3.151 1.00 0.00 N flip ATOM 0 H ASN A 41 -10.018 -2.315 -1.932 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.835 -3.087 0.801 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -12.661 -4.310 -0.667 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -12.816 -2.606 -0.289 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.509 -4.865 -2.852 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.432 -3.662 -4.144 1.00 0.00 H new ATOM 469 N VAL A 42 -9.691 -5.267 0.693 1.00 0.00 N ATOM 470 CA VAL A 42 -9.065 -6.584 0.690 1.00 0.00 C ATOM 471 C VAL A 42 -9.288 -7.295 2.021 1.00 0.00 C ATOM 472 O VAL A 42 -9.979 -6.779 2.900 1.00 0.00 O ATOM 473 CB VAL A 42 -7.553 -6.489 0.413 1.00 0.00 C ATOM 474 CG1 VAL A 42 -7.300 -6.048 -1.020 1.00 0.00 C ATOM 475 CG2 VAL A 42 -6.889 -5.538 1.397 1.00 0.00 C ATOM 0 H VAL A 42 -9.734 -4.825 1.611 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.533 -7.158 -0.110 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.114 -7.478 0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.226 -5.986 -1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.740 -6.771 -1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.752 -5.070 -1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.821 -5.483 1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.330 -4.546 1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.040 -5.902 2.413 1.00 0.00 H new ATOM 485 N ASP A 43 -8.706 -8.481 2.167 1.00 0.00 N ATOM 486 CA ASP A 43 -8.851 -9.254 3.394 1.00 0.00 C ATOM 487 C ASP A 43 -7.581 -10.039 3.711 1.00 0.00 C ATOM 488 O ASP A 43 -6.988 -10.661 2.829 1.00 0.00 O ATOM 489 CB ASP A 43 -10.038 -10.214 3.274 1.00 0.00 C ATOM 490 CG ASP A 43 -11.322 -9.499 2.899 1.00 0.00 C ATOM 491 OD1 ASP A 43 -11.437 -9.055 1.737 1.00 0.00 O ATOM 492 OD2 ASP A 43 -12.212 -9.384 3.767 1.00 0.00 O ATOM 0 H ASP A 43 -8.131 -8.927 1.452 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.030 -8.554 4.210 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.815 -10.972 2.523 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.178 -10.735 4.221 1.00 0.00 H new ATOM 497 N VAL A 44 -7.173 -10.010 4.976 1.00 0.00 N ATOM 498 CA VAL A 44 -5.978 -10.725 5.413 1.00 0.00 C ATOM 499 C VAL A 44 -6.208 -12.234 5.365 1.00 0.00 C ATOM 500 O VAL A 44 -7.213 -12.730 5.874 1.00 0.00 O ATOM 501 CB VAL A 44 -5.575 -10.319 6.844 1.00 0.00 C ATOM 502 CG1 VAL A 44 -4.264 -10.977 7.248 1.00 0.00 C ATOM 503 CG2 VAL A 44 -5.472 -8.808 6.959 1.00 0.00 C ATOM 0 H VAL A 44 -7.652 -9.499 5.717 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.171 -10.457 4.731 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.351 -10.666 7.526 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.002 -10.674 8.262 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.374 -12.061 7.210 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.475 -10.668 6.562 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.187 -8.539 7.976 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.719 -8.441 6.262 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.436 -8.358 6.722 1.00 0.00 H new ATOM 513 N PRO A 45 -5.286 -12.989 4.741 1.00 0.00 N ATOM 514 CA PRO A 45 -5.413 -14.444 4.624 1.00 0.00 C ATOM 515 C PRO A 45 -5.067 -15.179 5.915 1.00 0.00 C ATOM 516 O PRO A 45 -5.777 -16.100 6.320 1.00 0.00 O ATOM 517 CB PRO A 45 -4.407 -14.791 3.530 1.00 0.00 C ATOM 518 CG PRO A 45 -3.356 -13.745 3.647 1.00 0.00 C ATOM 519 CD PRO A 45 -4.060 -12.489 4.089 1.00 0.00 C ATOM 0 HA PRO A 45 -6.438 -14.743 4.403 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.992 -15.789 3.674 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.872 -14.778 2.544 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.594 -14.038 4.369 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.850 -13.593 2.693 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.448 -11.908 4.779 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.291 -11.841 3.244 1.00 0.00 H new ATOM 527 N VAL A 46 -3.968 -14.784 6.554 1.00 0.00 N ATOM 528 CA VAL A 46 -3.540 -15.429 7.787 1.00 0.00 C ATOM 529 C VAL A 46 -3.427 -14.436 8.938 1.00 0.00 C ATOM 530 O VAL A 46 -3.374 -13.224 8.728 1.00 0.00 O ATOM 531 CB VAL A 46 -2.182 -16.150 7.632 1.00 0.00 C ATOM 532 CG1 VAL A 46 -2.206 -17.456 8.404 1.00 0.00 C ATOM 533 CG2 VAL A 46 -1.827 -16.396 6.166 1.00 0.00 C ATOM 0 H VAL A 46 -3.363 -14.025 6.239 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.312 -16.165 8.012 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.408 -15.501 8.041 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.247 -17.962 8.293 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.388 -17.252 9.459 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.000 -18.094 8.016 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.865 -16.905 6.105 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.595 -17.016 5.705 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.767 -15.443 5.641 1.00 0.00 H new ATOM 543 N THR A 47 -3.376 -14.968 10.155 1.00 0.00 N ATOM 544 CA THR A 47 -3.254 -14.147 11.352 1.00 0.00 C ATOM 545 C THR A 47 -1.792 -14.022 11.763 1.00 0.00 C ATOM 546 O THR A 47 -1.362 -14.616 12.752 1.00 0.00 O ATOM 547 CB THR A 47 -4.067 -14.754 12.498 1.00 0.00 C ATOM 548 OG1 THR A 47 -3.698 -16.105 12.712 1.00 0.00 O ATOM 549 CG2 THR A 47 -5.560 -14.718 12.260 1.00 0.00 C ATOM 0 H THR A 47 -3.418 -15.971 10.337 1.00 0.00 H new ATOM 0 HA THR A 47 -3.644 -13.154 11.130 1.00 0.00 H new ATOM 0 HB THR A 47 -3.841 -14.139 13.369 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.747 -16.152 12.942 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.075 -15.164 13.111 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.885 -13.684 12.140 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.798 -15.280 11.357 1.00 0.00 H new ATOM 557 N GLY A 48 -1.029 -13.254 10.994 1.00 0.00 N ATOM 558 CA GLY A 48 0.379 -13.078 11.296 1.00 0.00 C ATOM 559 C GLY A 48 0.888 -11.697 10.938 1.00 0.00 C ATOM 560 O GLY A 48 0.262 -10.691 11.274 1.00 0.00 O ATOM 0 H GLY A 48 -1.359 -12.752 10.170 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.543 -13.256 12.359 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.958 -13.826 10.754 1.00 0.00 H new ATOM 564 N GLU A 49 2.028 -11.648 10.259 1.00 0.00 N ATOM 565 CA GLU A 49 2.626 -10.379 9.863 1.00 0.00 C ATOM 566 C GLU A 49 3.035 -10.396 8.395 1.00 0.00 C ATOM 567 O GLU A 49 3.393 -11.439 7.850 1.00 0.00 O ATOM 568 CB GLU A 49 3.845 -10.080 10.738 1.00 0.00 C ATOM 569 CG GLU A 49 4.526 -8.758 10.420 1.00 0.00 C ATOM 570 CD GLU A 49 5.942 -8.692 10.958 1.00 0.00 C ATOM 571 OE1 GLU A 49 6.223 -9.363 11.974 1.00 0.00 O ATOM 572 OE2 GLU A 49 6.769 -7.971 10.363 1.00 0.00 O ATOM 0 H GLU A 49 2.556 -12.472 9.971 1.00 0.00 H new ATOM 0 HA GLU A 49 1.879 -9.597 9.999 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.537 -10.076 11.783 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.569 -10.887 10.623 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.544 -8.612 9.340 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.941 -7.941 10.842 1.00 0.00 H new ATOM 579 N TYR A 50 2.987 -9.225 7.766 1.00 0.00 N ATOM 580 CA TYR A 50 3.361 -9.083 6.363 1.00 0.00 C ATOM 581 C TYR A 50 4.195 -7.819 6.164 1.00 0.00 C ATOM 582 O TYR A 50 4.171 -6.917 7.002 1.00 0.00 O ATOM 583 CB TYR A 50 2.108 -9.026 5.485 1.00 0.00 C ATOM 584 CG TYR A 50 1.192 -10.218 5.652 1.00 0.00 C ATOM 585 CD1 TYR A 50 1.703 -11.505 5.752 1.00 0.00 C ATOM 586 CD2 TYR A 50 -0.187 -10.054 5.713 1.00 0.00 C ATOM 587 CE1 TYR A 50 0.866 -12.595 5.908 1.00 0.00 C ATOM 588 CE2 TYR A 50 -1.028 -11.137 5.871 1.00 0.00 C ATOM 589 CZ TYR A 50 -0.498 -12.405 5.968 1.00 0.00 C ATOM 590 OH TYR A 50 -1.334 -13.486 6.124 1.00 0.00 O ATOM 0 H TYR A 50 2.691 -8.356 8.210 1.00 0.00 H new ATOM 0 HA TYR A 50 3.957 -9.948 6.072 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.553 -8.117 5.718 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.410 -8.955 4.440 1.00 0.00 H new ATOM 0 HD1 TYR A 50 2.771 -11.657 5.707 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.608 -9.062 5.635 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.279 -13.590 5.982 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.097 -10.991 5.918 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.607 -13.556 7.063 1.00 0.00 H new ATOM 600 N ARG A 51 4.929 -7.750 5.058 1.00 0.00 N ATOM 601 CA ARG A 51 5.759 -6.582 4.774 1.00 0.00 C ATOM 602 C ARG A 51 5.038 -5.623 3.835 1.00 0.00 C ATOM 603 O ARG A 51 4.553 -6.021 2.778 1.00 0.00 O ATOM 604 CB ARG A 51 7.108 -7.003 4.178 1.00 0.00 C ATOM 605 CG ARG A 51 7.090 -7.232 2.669 1.00 0.00 C ATOM 606 CD ARG A 51 8.490 -7.469 2.126 1.00 0.00 C ATOM 607 NE ARG A 51 8.880 -6.447 1.156 1.00 0.00 N ATOM 608 CZ ARG A 51 10.143 -6.170 0.837 1.00 0.00 C ATOM 609 NH1 ARG A 51 11.141 -6.837 1.405 1.00 0.00 N ATOM 610 NH2 ARG A 51 10.410 -5.224 -0.053 1.00 0.00 N ATOM 0 H ARG A 51 4.967 -8.482 4.348 1.00 0.00 H new ATOM 0 HA ARG A 51 5.947 -6.066 5.715 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.847 -6.236 4.407 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.437 -7.919 4.668 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.459 -8.090 2.437 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.648 -6.368 2.174 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.203 -7.477 2.951 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.535 -8.451 1.656 1.00 0.00 H new ATOM 0 HE ARG A 51 8.141 -5.915 0.696 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.942 -7.566 2.090 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.106 -6.620 1.156 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.648 -4.708 -0.493 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.377 -5.012 -0.297 1.00 0.00 H new ATOM 624 N ILE A 52 4.971 -4.358 4.229 1.00 0.00 N ATOM 625 CA ILE A 52 4.306 -3.347 3.423 1.00 0.00 C ATOM 626 C ILE A 52 5.311 -2.538 2.613 1.00 0.00 C ATOM 627 O ILE A 52 6.446 -2.327 3.039 1.00 0.00 O ATOM 628 CB ILE A 52 3.452 -2.402 4.302 1.00 0.00 C ATOM 629 CG1 ILE A 52 1.968 -2.689 4.098 1.00 0.00 C ATOM 630 CG2 ILE A 52 3.748 -0.936 4.009 1.00 0.00 C ATOM 631 CD1 ILE A 52 1.092 -1.966 5.087 1.00 0.00 C ATOM 0 H ILE A 52 5.369 -4.009 5.101 1.00 0.00 H new ATOM 0 HA ILE A 52 3.645 -3.869 2.732 1.00 0.00 H new ATOM 0 HB ILE A 52 3.716 -2.592 5.342 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.682 -2.399 3.087 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.795 -3.762 4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.128 -0.305 4.646 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.800 -0.730 4.208 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.528 -0.722 2.963 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.047 -2.209 4.893 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.354 -2.275 6.099 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.240 -0.891 4.986 1.00 0.00 H new ATOM 643 N ASN A 53 4.877 -2.080 1.446 1.00 0.00 N ATOM 644 CA ASN A 53 5.721 -1.283 0.571 1.00 0.00 C ATOM 645 C ASN A 53 4.860 -0.293 -0.212 1.00 0.00 C ATOM 646 O ASN A 53 3.964 -0.692 -0.956 1.00 0.00 O ATOM 647 CB ASN A 53 6.527 -2.203 -0.362 1.00 0.00 C ATOM 648 CG ASN A 53 6.585 -1.724 -1.801 1.00 0.00 C ATOM 649 OD1 ASN A 53 6.801 -0.541 -2.069 1.00 0.00 O ATOM 650 ND2 ASN A 53 6.398 -2.649 -2.735 1.00 0.00 N ATOM 0 H ASN A 53 3.939 -2.249 1.083 1.00 0.00 H new ATOM 0 HA ASN A 53 6.433 -0.710 1.165 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.543 -2.292 0.022 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.089 -3.201 -0.339 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.430 -2.392 -3.721 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.222 -3.617 -2.466 1.00 0.00 H new ATOM 657 N LEU A 54 5.125 0.997 -0.028 1.00 0.00 N ATOM 658 CA LEU A 54 4.356 2.031 -0.711 1.00 0.00 C ATOM 659 C LEU A 54 5.102 2.551 -1.929 1.00 0.00 C ATOM 660 O LEU A 54 6.238 3.010 -1.831 1.00 0.00 O ATOM 661 CB LEU A 54 4.035 3.189 0.249 1.00 0.00 C ATOM 662 CG LEU A 54 2.553 3.384 0.635 1.00 0.00 C ATOM 663 CD1 LEU A 54 2.095 4.794 0.300 1.00 0.00 C ATOM 664 CD2 LEU A 54 1.644 2.376 -0.053 1.00 0.00 C ATOM 0 H LEU A 54 5.861 1.349 0.584 1.00 0.00 H new ATOM 0 HA LEU A 54 3.420 1.585 -1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.607 3.040 1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.393 4.114 -0.203 1.00 0.00 H new ATOM 0 HG LEU A 54 2.482 3.222 1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.048 4.912 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.701 5.514 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.207 4.968 -0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.611 2.552 0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.730 2.487 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.938 1.366 0.233 1.00 0.00 H new ATOM 676 N THR A 55 4.444 2.470 -3.078 1.00 0.00 N ATOM 677 CA THR A 55 5.036 2.926 -4.333 1.00 0.00 C ATOM 678 C THR A 55 4.384 4.218 -4.815 1.00 0.00 C ATOM 679 O THR A 55 3.158 4.342 -4.815 1.00 0.00 O ATOM 680 CB THR A 55 4.904 1.843 -5.406 1.00 0.00 C ATOM 681 OG1 THR A 55 4.758 0.566 -4.814 1.00 0.00 O ATOM 682 CG2 THR A 55 6.092 1.782 -6.342 1.00 0.00 C ATOM 0 H THR A 55 3.500 2.093 -3.169 1.00 0.00 H new ATOM 0 HA THR A 55 6.092 3.125 -4.151 1.00 0.00 H new ATOM 0 HB THR A 55 4.020 2.114 -5.983 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.828 0.441 -4.531 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.935 0.994 -7.078 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.202 2.739 -6.853 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.995 1.570 -5.770 1.00 0.00 H new ATOM 690 N TRP A 56 5.210 5.179 -5.220 1.00 0.00 N ATOM 691 CA TRP A 56 4.704 6.464 -5.698 1.00 0.00 C ATOM 692 C TRP A 56 5.732 7.172 -6.590 1.00 0.00 C ATOM 693 O TRP A 56 6.933 6.926 -6.482 1.00 0.00 O ATOM 694 CB TRP A 56 4.313 7.351 -4.519 1.00 0.00 C ATOM 695 CG TRP A 56 5.320 7.383 -3.405 1.00 0.00 C ATOM 696 CD1 TRP A 56 5.992 6.328 -2.848 1.00 0.00 C ATOM 697 CD2 TRP A 56 5.748 8.546 -2.699 1.00 0.00 C ATOM 698 NE1 TRP A 56 6.820 6.775 -1.847 1.00 0.00 N ATOM 699 CE2 TRP A 56 6.685 8.134 -1.735 1.00 0.00 C ATOM 700 CE3 TRP A 56 5.427 9.898 -2.794 1.00 0.00 C ATOM 701 CZ2 TRP A 56 7.306 9.031 -0.870 1.00 0.00 C ATOM 702 CZ3 TRP A 56 6.038 10.786 -1.937 1.00 0.00 C ATOM 703 CH2 TRP A 56 6.968 10.352 -0.984 1.00 0.00 C ATOM 0 H TRP A 56 6.226 5.094 -5.227 1.00 0.00 H new ATOM 0 HA TRP A 56 3.817 6.273 -6.302 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.157 8.367 -4.881 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.359 7.005 -4.120 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.887 5.297 -3.151 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.435 6.191 -1.280 1.00 0.00 H new ATOM 0 HE3 TRP A 56 4.712 10.243 -3.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.026 8.697 -0.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.796 11.836 -2.001 1.00 0.00 H new ATOM 0 HH2 TRP A 56 7.428 11.074 -0.326 1.00 0.00 H new ATOM 714 N SER A 57 5.247 8.040 -7.484 1.00 0.00 N ATOM 715 CA SER A 57 6.127 8.769 -8.414 1.00 0.00 C ATOM 716 C SER A 57 5.445 9.993 -9.015 1.00 0.00 C ATOM 717 O SER A 57 4.977 9.960 -10.153 1.00 0.00 O ATOM 718 CB SER A 57 6.592 7.834 -9.533 1.00 0.00 C ATOM 719 OG SER A 57 6.444 6.475 -9.158 1.00 0.00 O ATOM 0 H SER A 57 4.256 8.257 -7.586 1.00 0.00 H new ATOM 0 HA SER A 57 6.986 9.120 -7.841 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.016 8.030 -10.437 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.636 8.037 -9.770 1.00 0.00 H new ATOM 0 HG SER A 57 6.747 5.899 -9.891 1.00 0.00 H new ATOM 725 N SER A 58 5.427 11.083 -8.263 1.00 0.00 N ATOM 726 CA SER A 58 4.846 12.331 -8.736 1.00 0.00 C ATOM 727 C SER A 58 5.936 13.386 -8.821 1.00 0.00 C ATOM 728 O SER A 58 6.217 14.071 -7.844 1.00 0.00 O ATOM 729 CB SER A 58 3.742 12.807 -7.802 1.00 0.00 C ATOM 730 OG SER A 58 2.462 12.461 -8.300 1.00 0.00 O ATOM 0 H SER A 58 5.810 11.129 -7.319 1.00 0.00 H new ATOM 0 HA SER A 58 4.409 12.164 -9.721 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.882 12.366 -6.815 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.807 13.888 -7.680 1.00 0.00 H new ATOM 0 HG SER A 58 2.309 12.917 -9.154 1.00 0.00 H new ATOM 736 N PRO A 59 6.593 13.505 -9.978 1.00 0.00 N ATOM 737 CA PRO A 59 7.687 14.459 -10.159 1.00 0.00 C ATOM 738 C PRO A 59 7.260 15.924 -9.973 1.00 0.00 C ATOM 739 O PRO A 59 7.366 16.719 -10.908 1.00 0.00 O ATOM 740 CB PRO A 59 8.126 14.229 -11.613 1.00 0.00 C ATOM 741 CG PRO A 59 7.626 12.871 -11.960 1.00 0.00 C ATOM 742 CD PRO A 59 6.354 12.697 -11.185 1.00 0.00 C ATOM 0 HA PRO A 59 8.469 14.299 -9.417 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.705 14.985 -12.276 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.210 14.287 -11.711 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.447 12.782 -13.031 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.355 12.105 -11.694 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.488 13.052 -11.744 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.169 11.651 -10.941 1.00 0.00 H new ATOM 750 N TYR A 60 6.781 16.297 -8.779 1.00 0.00 N ATOM 751 CA TYR A 60 6.362 17.685 -8.553 1.00 0.00 C ATOM 752 C TYR A 60 6.142 18.035 -7.067 1.00 0.00 C ATOM 753 O TYR A 60 7.047 18.535 -6.400 1.00 0.00 O ATOM 754 CB TYR A 60 5.091 18.012 -9.361 1.00 0.00 C ATOM 755 CG TYR A 60 4.351 16.802 -9.903 1.00 0.00 C ATOM 756 CD1 TYR A 60 3.401 16.135 -9.134 1.00 0.00 C ATOM 757 CD2 TYR A 60 4.599 16.333 -11.187 1.00 0.00 C ATOM 758 CE1 TYR A 60 2.725 15.038 -9.632 1.00 0.00 C ATOM 759 CE2 TYR A 60 3.926 15.236 -11.690 1.00 0.00 C ATOM 760 CZ TYR A 60 2.992 14.592 -10.908 1.00 0.00 C ATOM 761 OH TYR A 60 2.320 13.499 -11.406 1.00 0.00 O ATOM 0 H TYR A 60 6.676 15.677 -7.976 1.00 0.00 H new ATOM 0 HA TYR A 60 7.191 18.301 -8.900 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.411 18.582 -8.727 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.364 18.657 -10.196 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.189 16.481 -8.133 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.331 16.835 -11.803 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.990 14.532 -9.024 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.131 14.885 -12.691 1.00 0.00 H new ATOM 0 HH TYR A 60 1.489 13.369 -10.903 1.00 0.00 H new ATOM 771 N SER A 61 4.921 17.813 -6.578 1.00 0.00 N ATOM 772 CA SER A 61 4.541 18.144 -5.200 1.00 0.00 C ATOM 773 C SER A 61 5.579 17.715 -4.165 1.00 0.00 C ATOM 774 O SER A 61 6.560 17.046 -4.485 1.00 0.00 O ATOM 775 CB SER A 61 3.190 17.509 -4.872 1.00 0.00 C ATOM 776 OG SER A 61 2.128 18.416 -5.116 1.00 0.00 O ATOM 0 H SER A 61 4.166 17.399 -7.125 1.00 0.00 H new ATOM 0 HA SER A 61 4.477 19.231 -5.145 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.051 16.611 -5.474 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.175 17.198 -3.827 1.00 0.00 H new ATOM 0 HG SER A 61 1.517 18.418 -4.350 1.00 0.00 H new ATOM 782 N SER A 62 5.329 18.108 -2.913 1.00 0.00 N ATOM 783 CA SER A 62 6.211 17.780 -1.795 1.00 0.00 C ATOM 784 C SER A 62 5.596 18.232 -0.467 1.00 0.00 C ATOM 785 O SER A 62 5.586 19.425 -0.164 1.00 0.00 O ATOM 786 CB SER A 62 7.576 18.451 -1.980 1.00 0.00 C ATOM 787 OG SER A 62 8.309 17.848 -3.032 1.00 0.00 O ATOM 0 H SER A 62 4.513 18.660 -2.649 1.00 0.00 H new ATOM 0 HA SER A 62 6.340 16.698 -1.774 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.436 19.511 -2.192 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.145 18.384 -1.053 1.00 0.00 H new ATOM 0 HG SER A 62 7.770 17.139 -3.442 1.00 0.00 H new ATOM 793 N LYS A 63 5.078 17.287 0.328 1.00 0.00 N ATOM 794 CA LYS A 63 4.467 17.638 1.612 1.00 0.00 C ATOM 795 C LYS A 63 4.140 16.397 2.446 1.00 0.00 C ATOM 796 O LYS A 63 4.061 15.287 1.926 1.00 0.00 O ATOM 797 CB LYS A 63 3.195 18.458 1.374 1.00 0.00 C ATOM 798 CG LYS A 63 2.755 19.282 2.574 1.00 0.00 C ATOM 799 CD LYS A 63 3.750 20.387 2.893 1.00 0.00 C ATOM 800 CE LYS A 63 3.434 21.661 2.125 1.00 0.00 C ATOM 801 NZ LYS A 63 4.316 21.825 0.937 1.00 0.00 N ATOM 0 H LYS A 63 5.070 16.291 0.109 1.00 0.00 H new ATOM 0 HA LYS A 63 5.189 18.231 2.173 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.359 19.126 0.528 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.387 17.782 1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.776 19.719 2.376 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.644 18.631 3.441 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.735 20.593 3.963 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.758 20.053 2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.392 21.643 1.804 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.550 22.521 2.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.767 22.224 0.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.100 22.467 1.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.699 20.899 0.658 1.00 0.00 H new ATOM 815 N VAL A 64 3.947 16.599 3.749 1.00 0.00 N ATOM 816 CA VAL A 64 3.623 15.503 4.660 1.00 0.00 C ATOM 817 C VAL A 64 2.368 14.763 4.201 1.00 0.00 C ATOM 818 O VAL A 64 1.608 15.272 3.377 1.00 0.00 O ATOM 819 CB VAL A 64 3.409 16.012 6.101 1.00 0.00 C ATOM 820 CG1 VAL A 64 3.358 14.851 7.082 1.00 0.00 C ATOM 821 CG2 VAL A 64 4.503 16.998 6.489 1.00 0.00 C ATOM 0 H VAL A 64 4.010 17.513 4.197 1.00 0.00 H new ATOM 0 HA VAL A 64 4.472 14.819 4.649 1.00 0.00 H new ATOM 0 HB VAL A 64 2.451 16.531 6.141 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.206 15.234 8.091 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.534 14.188 6.818 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.297 14.298 7.041 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.335 17.346 7.508 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.474 16.506 6.429 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.484 17.849 5.808 1.00 0.00 H new ATOM 831 N ASN A 65 2.156 13.558 4.729 1.00 0.00 N ATOM 832 CA ASN A 65 0.991 12.764 4.354 1.00 0.00 C ATOM 833 C ASN A 65 0.700 11.678 5.387 1.00 0.00 C ATOM 834 O ASN A 65 1.564 11.314 6.187 1.00 0.00 O ATOM 835 CB ASN A 65 1.210 12.130 2.979 1.00 0.00 C ATOM 836 CG ASN A 65 0.030 11.291 2.530 1.00 0.00 C ATOM 837 OD1 ASN A 65 -0.846 11.883 1.728 1.00 0.00 O flip ATOM 838 ND2 ASN A 65 -0.094 10.124 2.900 1.00 0.00 N flip ATOM 0 H ASN A 65 2.771 13.115 5.412 1.00 0.00 H new ATOM 0 HA ASN A 65 0.130 13.431 4.314 1.00 0.00 H new ATOM 0 HB2 ASN A 65 1.393 12.915 2.246 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.104 11.507 3.008 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.603 9.708 3.517 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.894 9.573 2.590 1.00 0.00 H new ATOM 845 N THR A 66 -0.526 11.160 5.352 1.00 0.00 N ATOM 846 CA THR A 66 -0.945 10.108 6.271 1.00 0.00 C ATOM 847 C THR A 66 -0.959 8.757 5.564 1.00 0.00 C ATOM 848 O THR A 66 -1.407 8.647 4.423 1.00 0.00 O ATOM 849 CB THR A 66 -2.331 10.415 6.841 1.00 0.00 C ATOM 850 OG1 THR A 66 -2.637 11.791 6.708 1.00 0.00 O ATOM 851 CG2 THR A 66 -2.466 10.053 8.304 1.00 0.00 C ATOM 0 H THR A 66 -1.248 11.454 4.694 1.00 0.00 H new ATOM 0 HA THR A 66 -0.230 10.067 7.092 1.00 0.00 H new ATOM 0 HB THR A 66 -3.023 9.802 6.264 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.528 11.965 7.077 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.472 10.295 8.647 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.286 8.986 8.433 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.738 10.617 8.887 1.00 0.00 H new ATOM 859 N LEU A 67 -0.458 7.735 6.246 1.00 0.00 N ATOM 860 CA LEU A 67 -0.403 6.392 5.679 1.00 0.00 C ATOM 861 C LEU A 67 -1.416 5.469 6.349 1.00 0.00 C ATOM 862 O LEU A 67 -1.235 5.063 7.497 1.00 0.00 O ATOM 863 CB LEU A 67 1.010 5.824 5.835 1.00 0.00 C ATOM 864 CG LEU A 67 1.688 5.394 4.537 1.00 0.00 C ATOM 865 CD1 LEU A 67 0.880 4.308 3.850 1.00 0.00 C ATOM 866 CD2 LEU A 67 1.882 6.589 3.616 1.00 0.00 C ATOM 0 H LEU A 67 -0.084 7.809 7.192 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.655 6.455 4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.634 6.575 6.320 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.966 4.965 6.505 1.00 0.00 H new ATOM 0 HG LEU A 67 2.670 4.987 4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.378 4.013 2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.797 3.444 4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.116 4.686 3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.367 6.264 2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.912 7.028 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.506 7.333 4.112 1.00 0.00 H new ATOM 878 N VAL A 68 -2.480 5.134 5.625 1.00 0.00 N ATOM 879 CA VAL A 68 -3.515 4.253 6.154 1.00 0.00 C ATOM 880 C VAL A 68 -3.214 2.798 5.821 1.00 0.00 C ATOM 881 O VAL A 68 -3.524 2.323 4.730 1.00 0.00 O ATOM 882 CB VAL A 68 -4.903 4.614 5.593 1.00 0.00 C ATOM 883 CG1 VAL A 68 -5.988 3.800 6.284 1.00 0.00 C ATOM 884 CG2 VAL A 68 -5.171 6.102 5.741 1.00 0.00 C ATOM 0 H VAL A 68 -2.648 5.459 4.673 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.522 4.387 7.236 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.917 4.370 4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.961 4.069 5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.806 2.738 6.120 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.974 4.009 7.354 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.157 6.336 5.339 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.136 6.375 6.796 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.413 6.664 5.195 1.00 0.00 H new ATOM 894 N MET A 69 -2.611 2.092 6.769 1.00 0.00 N ATOM 895 CA MET A 69 -2.272 0.690 6.571 1.00 0.00 C ATOM 896 C MET A 69 -2.696 -0.146 7.774 1.00 0.00 C ATOM 897 O MET A 69 -2.170 0.020 8.875 1.00 0.00 O ATOM 898 CB MET A 69 -0.770 0.536 6.326 1.00 0.00 C ATOM 899 CG MET A 69 -0.222 1.481 5.266 1.00 0.00 C ATOM 900 SD MET A 69 -0.618 0.955 3.586 1.00 0.00 S ATOM 901 CE MET A 69 0.907 1.351 2.730 1.00 0.00 C ATOM 0 H MET A 69 -2.347 2.467 7.680 1.00 0.00 H new ATOM 0 HA MET A 69 -2.812 0.330 5.695 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.239 0.707 7.262 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.563 -0.491 6.026 1.00 0.00 H new ATOM 0 HG2 MET A 69 -0.625 2.480 5.433 1.00 0.00 H new ATOM 0 HG3 MET A 69 0.860 1.552 5.374 1.00 0.00 H new ATOM 0 HE1 MET A 69 0.744 2.205 2.073 1.00 0.00 H new ATOM 0 HE2 MET A 69 1.680 1.596 3.458 1.00 0.00 H new ATOM 0 HE3 MET A 69 1.225 0.493 2.138 1.00 0.00 H new ATOM 911 N ASP A 70 -3.653 -1.041 7.557 1.00 0.00 N ATOM 912 CA ASP A 70 -4.154 -1.903 8.622 1.00 0.00 C ATOM 913 C ASP A 70 -4.864 -1.083 9.695 1.00 0.00 C ATOM 914 O ASP A 70 -4.702 -1.332 10.890 1.00 0.00 O ATOM 915 CB ASP A 70 -3.009 -2.703 9.246 1.00 0.00 C ATOM 916 CG ASP A 70 -3.503 -3.897 10.038 1.00 0.00 C ATOM 917 OD1 ASP A 70 -4.487 -4.532 9.602 1.00 0.00 O ATOM 918 OD2 ASP A 70 -2.908 -4.198 11.093 1.00 0.00 O ATOM 0 H ASP A 70 -4.098 -1.189 6.651 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.872 -2.597 8.185 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.337 -3.045 8.459 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.428 -2.052 9.900 1.00 0.00 H new ATOM 923 N GLY A 71 -5.653 -0.106 9.260 1.00 0.00 N ATOM 924 CA GLY A 71 -6.378 0.733 10.195 1.00 0.00 C ATOM 925 C GLY A 71 -5.458 1.576 11.057 1.00 0.00 C ATOM 926 O GLY A 71 -5.819 1.960 12.169 1.00 0.00 O ATOM 0 H GLY A 71 -5.803 0.119 8.277 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.053 1.387 9.643 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.997 0.105 10.836 1.00 0.00 H new ATOM 930 N THR A 72 -4.266 1.865 10.543 1.00 0.00 N ATOM 931 CA THR A 72 -3.293 2.668 11.275 1.00 0.00 C ATOM 932 C THR A 72 -2.779 3.818 10.415 1.00 0.00 C ATOM 933 O THR A 72 -2.249 3.602 9.326 1.00 0.00 O ATOM 934 CB THR A 72 -2.123 1.795 11.734 1.00 0.00 C ATOM 935 OG1 THR A 72 -2.568 0.488 12.052 1.00 0.00 O ATOM 936 CG2 THR A 72 -1.408 2.344 12.949 1.00 0.00 C ATOM 0 H THR A 72 -3.951 1.555 9.624 1.00 0.00 H new ATOM 0 HA THR A 72 -3.789 3.087 12.150 1.00 0.00 H new ATOM 0 HB THR A 72 -1.425 1.782 10.897 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.806 -0.056 12.342 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.590 1.677 13.222 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.010 3.333 12.721 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.108 2.418 13.781 1.00 0.00 H new ATOM 944 N ALA A 73 -2.941 5.040 10.912 1.00 0.00 N ATOM 945 CA ALA A 73 -2.493 6.225 10.189 1.00 0.00 C ATOM 946 C ALA A 73 -1.162 6.731 10.735 1.00 0.00 C ATOM 947 O ALA A 73 -1.127 7.498 11.698 1.00 0.00 O ATOM 948 CB ALA A 73 -3.546 7.318 10.262 1.00 0.00 C ATOM 0 H ALA A 73 -3.379 5.236 11.812 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.346 5.949 9.145 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.197 8.196 9.718 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.474 6.960 9.816 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.723 7.584 11.304 1.00 0.00 H new ATOM 954 N LEU A 74 -0.070 6.295 10.118 1.00 0.00 N ATOM 955 CA LEU A 74 1.261 6.698 10.542 1.00 0.00 C ATOM 956 C LEU A 74 1.641 8.053 9.944 1.00 0.00 C ATOM 957 O LEU A 74 1.564 8.252 8.733 1.00 0.00 O ATOM 958 CB LEU A 74 2.292 5.636 10.142 1.00 0.00 C ATOM 959 CG LEU A 74 2.644 5.596 8.650 1.00 0.00 C ATOM 960 CD1 LEU A 74 4.013 6.212 8.407 1.00 0.00 C ATOM 961 CD2 LEU A 74 2.600 4.169 8.120 1.00 0.00 C ATOM 0 H LEU A 74 -0.083 5.660 9.320 1.00 0.00 H new ATOM 0 HA LEU A 74 1.255 6.794 11.628 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.206 5.808 10.710 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.914 4.657 10.436 1.00 0.00 H new ATOM 0 HG LEU A 74 1.900 6.182 8.111 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.245 6.174 7.343 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.010 7.249 8.741 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.767 5.654 8.963 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.853 4.167 7.060 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.317 3.556 8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.598 3.762 8.255 1.00 0.00 H new ATOM 973 N SER A 75 2.057 8.979 10.803 1.00 0.00 N ATOM 974 CA SER A 75 2.457 10.310 10.357 1.00 0.00 C ATOM 975 C SER A 75 3.876 10.281 9.802 1.00 0.00 C ATOM 976 O SER A 75 4.813 9.883 10.492 1.00 0.00 O ATOM 977 CB SER A 75 2.368 11.309 11.513 1.00 0.00 C ATOM 978 OG SER A 75 3.092 12.493 11.222 1.00 0.00 O ATOM 0 H SER A 75 2.126 8.833 11.810 1.00 0.00 H new ATOM 0 HA SER A 75 1.777 10.626 9.566 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.324 11.556 11.705 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.760 10.853 12.422 1.00 0.00 H new ATOM 0 HG SER A 75 2.504 13.133 10.768 1.00 0.00 H new ATOM 984 N TYR A 76 4.027 10.692 8.547 1.00 0.00 N ATOM 985 CA TYR A 76 5.334 10.697 7.904 1.00 0.00 C ATOM 986 C TYR A 76 5.385 11.711 6.766 1.00 0.00 C ATOM 987 O TYR A 76 4.368 12.002 6.136 1.00 0.00 O ATOM 988 CB TYR A 76 5.655 9.299 7.369 1.00 0.00 C ATOM 989 CG TYR A 76 7.126 9.059 7.117 1.00 0.00 C ATOM 990 CD1 TYR A 76 7.695 9.342 5.882 1.00 0.00 C ATOM 991 CD2 TYR A 76 7.946 8.544 8.114 1.00 0.00 C ATOM 992 CE1 TYR A 76 9.037 9.120 5.647 1.00 0.00 C ATOM 993 CE2 TYR A 76 9.290 8.318 7.886 1.00 0.00 C ATOM 994 CZ TYR A 76 9.831 8.608 6.651 1.00 0.00 C ATOM 995 OH TYR A 76 11.169 8.384 6.421 1.00 0.00 O ATOM 0 H TYR A 76 3.263 11.024 7.958 1.00 0.00 H new ATOM 0 HA TYR A 76 6.078 10.983 8.648 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.293 8.557 8.081 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.108 9.142 6.440 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.077 9.743 5.092 1.00 0.00 H new ATOM 0 HD2 TYR A 76 7.526 8.317 9.083 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.463 9.346 4.681 1.00 0.00 H new ATOM 0 HE2 TYR A 76 9.914 7.916 8.671 1.00 0.00 H new ATOM 0 HH TYR A 76 11.584 8.022 7.232 1.00 0.00 H new ATOM 1005 N ALA A 77 6.576 12.239 6.501 1.00 0.00 N ATOM 1006 CA ALA A 77 6.756 13.211 5.431 1.00 0.00 C ATOM 1007 C ALA A 77 6.827 12.502 4.085 1.00 0.00 C ATOM 1008 O ALA A 77 7.627 11.584 3.902 1.00 0.00 O ATOM 1009 CB ALA A 77 8.014 14.034 5.665 1.00 0.00 C ATOM 0 H ALA A 77 7.429 12.010 7.012 1.00 0.00 H new ATOM 0 HA ALA A 77 5.900 13.886 5.426 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.133 14.755 4.856 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.931 14.564 6.614 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.881 13.374 5.693 1.00 0.00 H new ATOM 1015 N PHE A 78 5.979 12.915 3.149 1.00 0.00 N ATOM 1016 CA PHE A 78 5.949 12.290 1.834 1.00 0.00 C ATOM 1017 C PHE A 78 5.913 13.325 0.715 1.00 0.00 C ATOM 1018 O PHE A 78 4.842 13.794 0.324 1.00 0.00 O ATOM 1019 CB PHE A 78 4.732 11.372 1.718 1.00 0.00 C ATOM 1020 CG PHE A 78 5.001 9.948 2.115 1.00 0.00 C ATOM 1021 CD1 PHE A 78 5.125 9.598 3.450 1.00 0.00 C ATOM 1022 CD2 PHE A 78 5.122 8.960 1.153 1.00 0.00 C ATOM 1023 CE1 PHE A 78 5.364 8.287 3.817 1.00 0.00 C ATOM 1024 CE2 PHE A 78 5.362 7.647 1.514 1.00 0.00 C ATOM 1025 CZ PHE A 78 5.483 7.311 2.847 1.00 0.00 C ATOM 0 H PHE A 78 5.309 13.674 3.276 1.00 0.00 H new ATOM 0 HA PHE A 78 6.865 11.708 1.727 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.931 11.767 2.342 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.373 11.390 0.689 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.034 10.358 4.212 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.028 9.218 0.108 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.458 8.026 4.861 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.455 6.885 0.754 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.671 6.286 3.131 1.00 0.00 H new ATOM 1035 N ALA A 79 7.076 13.663 0.176 1.00 0.00 N ATOM 1036 CA ALA A 79 7.127 14.616 -0.918 1.00 0.00 C ATOM 1037 C ALA A 79 6.942 13.890 -2.233 1.00 0.00 C ATOM 1038 O ALA A 79 7.578 12.867 -2.475 1.00 0.00 O ATOM 1039 CB ALA A 79 8.422 15.398 -0.929 1.00 0.00 C ATOM 0 H ALA A 79 7.981 13.298 0.473 1.00 0.00 H new ATOM 0 HA ALA A 79 6.318 15.333 -0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.417 16.099 -1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.523 15.949 0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.261 14.711 -1.037 1.00 0.00 H new ATOM 1045 N GLU A 80 6.063 14.414 -3.076 1.00 0.00 N ATOM 1046 CA GLU A 80 5.785 13.790 -4.365 1.00 0.00 C ATOM 1047 C GLU A 80 7.080 13.524 -5.125 1.00 0.00 C ATOM 1048 O GLU A 80 7.544 14.354 -5.905 1.00 0.00 O ATOM 1049 CB GLU A 80 4.829 14.657 -5.193 1.00 0.00 C ATOM 1050 CG GLU A 80 3.391 14.149 -5.204 1.00 0.00 C ATOM 1051 CD GLU A 80 2.573 14.696 -4.052 1.00 0.00 C ATOM 1052 OE1 GLU A 80 3.152 14.925 -2.970 1.00 0.00 O ATOM 1053 OE2 GLU A 80 1.355 14.900 -4.234 1.00 0.00 O ATOM 0 H GLU A 80 5.532 15.265 -2.893 1.00 0.00 H new ATOM 0 HA GLU A 80 5.298 12.832 -4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.842 15.674 -4.800 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.195 14.707 -6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.918 14.428 -6.146 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.394 13.060 -5.159 1.00 0.00 H new ATOM 1060 N ALA A 81 7.659 12.352 -4.876 1.00 0.00 N ATOM 1061 CA ALA A 81 8.901 11.951 -5.520 1.00 0.00 C ATOM 1062 C ALA A 81 8.643 11.563 -6.962 1.00 0.00 C ATOM 1063 O ALA A 81 7.511 11.283 -7.337 1.00 0.00 O ATOM 1064 CB ALA A 81 9.528 10.786 -4.771 1.00 0.00 C ATOM 0 H ALA A 81 7.282 11.661 -4.227 1.00 0.00 H new ATOM 0 HA ALA A 81 9.591 12.794 -5.501 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.456 10.495 -5.262 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.739 11.085 -3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.839 9.942 -4.769 1.00 0.00 H new ATOM 1070 N THR A 82 9.690 11.542 -7.772 1.00 0.00 N ATOM 1071 CA THR A 82 9.540 11.179 -9.173 1.00 0.00 C ATOM 1072 C THR A 82 10.024 9.757 -9.423 1.00 0.00 C ATOM 1073 O THR A 82 9.480 9.042 -10.264 1.00 0.00 O ATOM 1074 CB THR A 82 10.287 12.153 -10.066 1.00 0.00 C ATOM 1075 OG1 THR A 82 10.659 11.541 -11.291 1.00 0.00 O ATOM 1076 CG2 THR A 82 11.537 12.736 -9.440 1.00 0.00 C ATOM 0 H THR A 82 10.643 11.769 -7.488 1.00 0.00 H new ATOM 0 HA THR A 82 8.479 11.229 -9.418 1.00 0.00 H new ATOM 0 HB THR A 82 9.582 12.968 -10.230 1.00 0.00 H new ATOM 0 HG1 THR A 82 11.137 12.190 -11.849 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.011 13.421 -10.143 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.271 13.276 -8.531 1.00 0.00 H new ATOM 0 HG23 THR A 82 12.230 11.931 -9.195 1.00 0.00 H new ATOM 1084 N VAL A 83 11.051 9.356 -8.685 1.00 0.00 N ATOM 1085 CA VAL A 83 11.615 8.020 -8.817 1.00 0.00 C ATOM 1086 C VAL A 83 10.760 7.006 -8.060 1.00 0.00 C ATOM 1087 O VAL A 83 10.342 7.266 -6.933 1.00 0.00 O ATOM 1088 CB VAL A 83 13.064 7.979 -8.279 1.00 0.00 C ATOM 1089 CG1 VAL A 83 13.565 6.547 -8.149 1.00 0.00 C ATOM 1090 CG2 VAL A 83 13.985 8.794 -9.175 1.00 0.00 C ATOM 0 H VAL A 83 11.511 9.940 -7.987 1.00 0.00 H new ATOM 0 HA VAL A 83 11.626 7.763 -9.876 1.00 0.00 H new ATOM 0 HB VAL A 83 13.067 8.422 -7.283 1.00 0.00 H new ATOM 0 HG11 VAL A 83 14.586 6.552 -7.768 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.924 5.998 -7.459 1.00 0.00 H new ATOM 0 HG13 VAL A 83 13.544 6.064 -9.126 1.00 0.00 H new ATOM 0 HG21 VAL A 83 15.001 8.755 -8.783 1.00 0.00 H new ATOM 0 HG22 VAL A 83 13.969 8.382 -10.184 1.00 0.00 H new ATOM 0 HG23 VAL A 83 13.645 9.829 -9.201 1.00 0.00 H new ATOM 1100 N PRO A 84 10.486 5.834 -8.668 1.00 0.00 N ATOM 1101 CA PRO A 84 9.677 4.790 -8.031 1.00 0.00 C ATOM 1102 C PRO A 84 10.176 4.454 -6.632 1.00 0.00 C ATOM 1103 O PRO A 84 10.930 3.499 -6.441 1.00 0.00 O ATOM 1104 CB PRO A 84 9.846 3.589 -8.965 1.00 0.00 C ATOM 1105 CG PRO A 84 10.152 4.188 -10.294 1.00 0.00 C ATOM 1106 CD PRO A 84 10.940 5.438 -10.014 1.00 0.00 C ATOM 0 HA PRO A 84 8.640 5.097 -7.899 1.00 0.00 H new ATOM 0 HB2 PRO A 84 10.652 2.936 -8.629 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.940 2.984 -9.002 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.725 3.496 -10.911 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.236 4.418 -10.839 1.00 0.00 H new ATOM 0 HD2 PRO A 84 12.013 5.250 -10.037 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.737 6.215 -10.751 1.00 0.00 H new ATOM 1114 N VAL A 85 9.759 5.255 -5.658 1.00 0.00 N ATOM 1115 CA VAL A 85 10.170 5.056 -4.277 1.00 0.00 C ATOM 1116 C VAL A 85 9.290 4.025 -3.580 1.00 0.00 C ATOM 1117 O VAL A 85 8.070 4.000 -3.773 1.00 0.00 O ATOM 1118 CB VAL A 85 10.130 6.377 -3.487 1.00 0.00 C ATOM 1119 CG1 VAL A 85 10.729 6.191 -2.102 1.00 0.00 C ATOM 1120 CG2 VAL A 85 10.860 7.474 -4.251 1.00 0.00 C ATOM 0 H VAL A 85 9.135 6.049 -5.802 1.00 0.00 H new ATOM 0 HA VAL A 85 11.196 4.687 -4.301 1.00 0.00 H new ATOM 0 HB VAL A 85 9.089 6.678 -3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 85 10.692 7.136 -1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.160 5.437 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.765 5.867 -2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 85 10.823 8.402 -3.680 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.899 7.182 -4.402 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.381 7.624 -5.218 1.00 0.00 H new ATOM 1130 N THR A 86 9.924 3.175 -2.775 1.00 0.00 N ATOM 1131 CA THR A 86 9.218 2.129 -2.042 1.00 0.00 C ATOM 1132 C THR A 86 9.457 2.258 -0.540 1.00 0.00 C ATOM 1133 O THR A 86 10.579 2.085 -0.062 1.00 0.00 O ATOM 1134 CB THR A 86 9.672 0.750 -2.522 1.00 0.00 C ATOM 1135 OG1 THR A 86 11.036 0.775 -2.902 1.00 0.00 O ATOM 1136 CG2 THR A 86 8.877 0.232 -3.701 1.00 0.00 C ATOM 0 H THR A 86 10.931 3.192 -2.614 1.00 0.00 H new ATOM 0 HA THR A 86 8.151 2.244 -2.233 1.00 0.00 H new ATOM 0 HB THR A 86 9.509 0.083 -1.675 1.00 0.00 H new ATOM 0 HG1 THR A 86 11.308 -0.117 -3.204 1.00 0.00 H new ATOM 0 HG21 THR A 86 9.252 -0.750 -3.989 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.826 0.152 -3.424 1.00 0.00 H new ATOM 0 HG23 THR A 86 8.980 0.920 -4.540 1.00 0.00 H new ATOM 1144 N TYR A 87 8.394 2.561 0.201 1.00 0.00 N ATOM 1145 CA TYR A 87 8.487 2.709 1.651 1.00 0.00 C ATOM 1146 C TYR A 87 8.146 1.394 2.347 1.00 0.00 C ATOM 1147 O TYR A 87 6.983 0.997 2.405 1.00 0.00 O ATOM 1148 CB TYR A 87 7.547 3.819 2.128 1.00 0.00 C ATOM 1149 CG TYR A 87 7.521 3.996 3.629 1.00 0.00 C ATOM 1150 CD1 TYR A 87 8.696 3.991 4.369 1.00 0.00 C ATOM 1151 CD2 TYR A 87 6.320 4.171 4.305 1.00 0.00 C ATOM 1152 CE1 TYR A 87 8.676 4.153 5.742 1.00 0.00 C ATOM 1153 CE2 TYR A 87 6.291 4.334 5.677 1.00 0.00 C ATOM 1154 CZ TYR A 87 7.471 4.324 6.390 1.00 0.00 C ATOM 1155 OH TYR A 87 7.445 4.487 7.757 1.00 0.00 O ATOM 0 H TYR A 87 7.459 2.709 -0.178 1.00 0.00 H new ATOM 0 HA TYR A 87 9.511 2.979 1.907 1.00 0.00 H new ATOM 0 HB2 TYR A 87 7.847 4.760 1.666 1.00 0.00 H new ATOM 0 HB3 TYR A 87 6.537 3.601 1.780 1.00 0.00 H new ATOM 0 HD1 TYR A 87 9.641 3.858 3.864 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.394 4.180 3.749 1.00 0.00 H new ATOM 0 HE1 TYR A 87 9.599 4.146 6.303 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.349 4.468 6.188 1.00 0.00 H new ATOM 0 HH TYR A 87 6.518 4.596 8.056 1.00 0.00 H new ATOM 1165 N VAL A 88 9.168 0.718 2.862 1.00 0.00 N ATOM 1166 CA VAL A 88 8.975 -0.560 3.540 1.00 0.00 C ATOM 1167 C VAL A 88 8.488 -0.376 4.973 1.00 0.00 C ATOM 1168 O VAL A 88 9.073 0.378 5.751 1.00 0.00 O ATOM 1169 CB VAL A 88 10.273 -1.391 3.561 1.00 0.00 C ATOM 1170 CG1 VAL A 88 10.018 -2.771 4.151 1.00 0.00 C ATOM 1171 CG2 VAL A 88 10.859 -1.502 2.161 1.00 0.00 C ATOM 0 H VAL A 88 10.137 1.033 2.823 1.00 0.00 H new ATOM 0 HA VAL A 88 8.213 -1.092 2.971 1.00 0.00 H new ATOM 0 HB VAL A 88 10.998 -0.880 4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.947 -3.342 4.157 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.649 -2.668 5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.275 -3.293 3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.775 -2.092 2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.139 -1.988 1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.084 -0.506 1.781 1.00 0.00 H new ATOM 1181 N GLN A 89 7.417 -1.086 5.317 1.00 0.00 N ATOM 1182 CA GLN A 89 6.849 -1.027 6.658 1.00 0.00 C ATOM 1183 C GLN A 89 6.322 -2.397 7.060 1.00 0.00 C ATOM 1184 O GLN A 89 5.551 -3.011 6.326 1.00 0.00 O ATOM 1185 CB GLN A 89 5.716 0.002 6.731 1.00 0.00 C ATOM 1186 CG GLN A 89 5.831 1.130 5.719 1.00 0.00 C ATOM 1187 CD GLN A 89 4.549 1.927 5.602 1.00 0.00 C ATOM 1188 OE1 GLN A 89 4.094 2.535 6.569 1.00 0.00 O ATOM 1189 NE2 GLN A 89 3.957 1.928 4.414 1.00 0.00 N ATOM 0 H GLN A 89 6.924 -1.712 4.681 1.00 0.00 H new ATOM 0 HA GLN A 89 7.637 -0.722 7.347 1.00 0.00 H new ATOM 0 HB2 GLN A 89 4.765 -0.510 6.581 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.693 0.430 7.733 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.645 1.795 6.009 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.090 0.716 4.744 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.369 1.410 3.638 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.090 2.447 4.277 1.00 0.00 H new ATOM 1198 N THR A 90 6.741 -2.880 8.220 1.00 0.00 N ATOM 1199 CA THR A 90 6.303 -4.187 8.693 1.00 0.00 C ATOM 1200 C THR A 90 5.267 -4.049 9.803 1.00 0.00 C ATOM 1201 O THR A 90 5.404 -3.213 10.696 1.00 0.00 O ATOM 1202 CB THR A 90 7.501 -5.001 9.179 1.00 0.00 C ATOM 1203 OG1 THR A 90 8.253 -4.269 10.132 1.00 0.00 O ATOM 1204 CG2 THR A 90 8.440 -5.402 8.060 1.00 0.00 C ATOM 0 H THR A 90 7.379 -2.392 8.848 1.00 0.00 H new ATOM 0 HA THR A 90 5.835 -4.712 7.860 1.00 0.00 H new ATOM 0 HB THR A 90 7.080 -5.904 9.621 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.014 -4.808 10.432 1.00 0.00 H new ATOM 0 HG21 THR A 90 9.270 -5.977 8.470 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.901 -6.010 7.333 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.826 -4.508 7.570 1.00 0.00 H new ATOM 1212 N LYS A 91 4.226 -4.872 9.733 1.00 0.00 N ATOM 1213 CA LYS A 91 3.157 -4.838 10.729 1.00 0.00 C ATOM 1214 C LYS A 91 2.349 -6.135 10.721 1.00 0.00 C ATOM 1215 O LYS A 91 2.324 -6.856 9.724 1.00 0.00 O ATOM 1216 CB LYS A 91 2.241 -3.635 10.489 1.00 0.00 C ATOM 1217 CG LYS A 91 1.413 -3.738 9.220 1.00 0.00 C ATOM 1218 CD LYS A 91 2.223 -3.361 7.991 1.00 0.00 C ATOM 1219 CE LYS A 91 1.890 -4.261 6.811 1.00 0.00 C ATOM 1220 NZ LYS A 91 1.905 -5.701 7.184 1.00 0.00 N ATOM 0 H LYS A 91 4.098 -5.569 9.000 1.00 0.00 H new ATOM 0 HA LYS A 91 3.618 -4.738 11.712 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.570 -3.525 11.341 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.849 -2.731 10.443 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.038 -4.756 9.111 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.544 -3.085 9.298 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.024 -2.323 7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.287 -3.434 8.218 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.907 -3.998 6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.608 -4.087 6.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.661 -6.187 6.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.077 -5.793 8.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.988 -6.131 6.947 1.00 0.00 H new ATOM 1234 N THR A 92 1.698 -6.431 11.846 1.00 0.00 N ATOM 1235 CA THR A 92 0.900 -7.649 11.974 1.00 0.00 C ATOM 1236 C THR A 92 -0.565 -7.413 11.602 1.00 0.00 C ATOM 1237 O THR A 92 -1.179 -6.439 12.038 1.00 0.00 O ATOM 1238 CB THR A 92 0.989 -8.184 13.406 1.00 0.00 C ATOM 1239 OG1 THR A 92 1.382 -7.161 14.303 1.00 0.00 O ATOM 1240 CG2 THR A 92 1.968 -9.328 13.558 1.00 0.00 C ATOM 0 H THR A 92 1.708 -5.844 12.680 1.00 0.00 H new ATOM 0 HA THR A 92 1.307 -8.383 11.279 1.00 0.00 H new ATOM 0 HB THR A 92 -0.011 -8.549 13.639 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.431 -7.524 15.212 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.982 -9.659 14.596 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.663 -10.155 12.917 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.965 -8.994 13.270 1.00 0.00 H new ATOM 1248 N LEU A 93 -1.121 -8.330 10.810 1.00 0.00 N ATOM 1249 CA LEU A 93 -2.519 -8.249 10.393 1.00 0.00 C ATOM 1250 C LEU A 93 -3.231 -9.563 10.704 1.00 0.00 C ATOM 1251 O LEU A 93 -2.638 -10.638 10.597 1.00 0.00 O ATOM 1252 CB LEU A 93 -2.647 -7.941 8.891 1.00 0.00 C ATOM 1253 CG LEU A 93 -1.411 -7.342 8.214 1.00 0.00 C ATOM 1254 CD1 LEU A 93 -0.956 -6.085 8.936 1.00 0.00 C ATOM 1255 CD2 LEU A 93 -0.288 -8.365 8.149 1.00 0.00 C ATOM 0 H LEU A 93 -0.621 -9.140 10.444 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.983 -7.433 10.948 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.907 -8.864 8.373 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.480 -7.252 8.753 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.680 -7.066 7.194 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.077 -5.677 8.437 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.757 -5.346 8.921 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.707 -6.329 9.969 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.581 -7.921 7.665 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.021 -8.677 9.159 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.618 -9.232 7.577 1.00 0.00 H new ATOM 1267 N SER A 94 -4.502 -9.478 11.087 1.00 0.00 N ATOM 1268 CA SER A 94 -5.274 -10.672 11.407 1.00 0.00 C ATOM 1269 C SER A 94 -6.216 -11.040 10.270 1.00 0.00 C ATOM 1270 O SER A 94 -6.784 -10.171 9.610 1.00 0.00 O ATOM 1271 CB SER A 94 -6.079 -10.478 12.689 1.00 0.00 C ATOM 1272 OG SER A 94 -6.622 -9.170 12.760 1.00 0.00 O ATOM 0 H SER A 94 -5.015 -8.601 11.182 1.00 0.00 H new ATOM 0 HA SER A 94 -4.563 -11.485 11.553 1.00 0.00 H new ATOM 0 HB2 SER A 94 -6.884 -11.212 12.731 1.00 0.00 H new ATOM 0 HB3 SER A 94 -5.440 -10.657 13.554 1.00 0.00 H new ATOM 0 HG SER A 94 -7.134 -9.073 13.590 1.00 0.00 H new ATOM 1278 N ALA A 95 -6.380 -12.339 10.062 1.00 0.00 N ATOM 1279 CA ALA A 95 -7.255 -12.854 9.020 1.00 0.00 C ATOM 1280 C ALA A 95 -8.633 -12.201 9.078 1.00 0.00 C ATOM 1281 O ALA A 95 -9.319 -12.267 10.098 1.00 0.00 O ATOM 1282 CB ALA A 95 -7.377 -14.362 9.161 1.00 0.00 C ATOM 0 H ALA A 95 -5.912 -13.062 10.609 1.00 0.00 H new ATOM 0 HA ALA A 95 -6.818 -12.613 8.051 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -8.032 -14.749 8.381 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -6.391 -14.817 9.065 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.795 -14.603 10.138 1.00 0.00 H new ATOM 1288 N GLY A 96 -9.032 -11.569 7.979 1.00 0.00 N ATOM 1289 CA GLY A 96 -10.326 -10.913 7.928 1.00 0.00 C ATOM 1290 C GLY A 96 -10.337 -9.731 6.981 1.00 0.00 C ATOM 1291 O GLY A 96 -9.532 -9.665 6.052 1.00 0.00 O ATOM 0 H GLY A 96 -8.482 -11.499 7.123 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -11.083 -11.632 7.616 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.599 -10.576 8.928 1.00 0.00 H new ATOM 1295 N ASN A 97 -11.250 -8.794 7.213 1.00 0.00 N ATOM 1296 CA ASN A 97 -11.359 -7.609 6.370 1.00 0.00 C ATOM 1297 C ASN A 97 -10.575 -6.444 6.964 1.00 0.00 C ATOM 1298 O ASN A 97 -10.729 -6.115 8.141 1.00 0.00 O ATOM 1299 CB ASN A 97 -12.828 -7.218 6.192 1.00 0.00 C ATOM 1300 CG ASN A 97 -13.167 -6.880 4.754 1.00 0.00 C ATOM 1301 OD1 ASN A 97 -12.408 -6.193 4.070 1.00 0.00 O ATOM 1302 ND2 ASN A 97 -14.311 -7.365 4.285 1.00 0.00 N ATOM 0 H ASN A 97 -11.925 -8.832 7.977 1.00 0.00 H new ATOM 0 HA ASN A 97 -10.934 -7.846 5.395 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -13.462 -8.038 6.529 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -13.052 -6.360 6.826 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.590 -7.172 3.323 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.910 -7.930 4.887 1.00 0.00 H new ATOM 1309 N HIS A 98 -9.733 -5.824 6.144 1.00 0.00 N ATOM 1310 CA HIS A 98 -8.922 -4.696 6.587 1.00 0.00 C ATOM 1311 C HIS A 98 -8.761 -3.667 5.472 1.00 0.00 C ATOM 1312 O HIS A 98 -8.507 -4.020 4.321 1.00 0.00 O ATOM 1313 CB HIS A 98 -7.547 -5.182 7.050 1.00 0.00 C ATOM 1314 CG HIS A 98 -7.474 -5.471 8.517 1.00 0.00 C ATOM 1315 ND1 HIS A 98 -7.913 -4.589 9.482 1.00 0.00 N ATOM 1316 CD2 HIS A 98 -7.010 -6.554 9.184 1.00 0.00 C ATOM 1317 CE1 HIS A 98 -7.720 -5.115 10.678 1.00 0.00 C ATOM 1318 NE2 HIS A 98 -7.174 -6.308 10.525 1.00 0.00 N ATOM 0 H HIS A 98 -9.594 -6.084 5.168 1.00 0.00 H new ATOM 0 HA HIS A 98 -9.434 -4.220 7.423 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -7.285 -6.084 6.497 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -6.801 -4.427 6.800 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -6.589 -7.446 8.743 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -7.967 -4.649 11.621 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -6.916 -6.943 11.280 1.00 0.00 H new ATOM 1327 N SER A 99 -8.908 -2.394 5.824 1.00 0.00 N ATOM 1328 CA SER A 99 -8.776 -1.313 4.853 1.00 0.00 C ATOM 1329 C SER A 99 -7.323 -0.862 4.743 1.00 0.00 C ATOM 1330 O SER A 99 -6.675 -0.576 5.749 1.00 0.00 O ATOM 1331 CB SER A 99 -9.660 -0.130 5.253 1.00 0.00 C ATOM 1332 OG SER A 99 -9.036 0.660 6.250 1.00 0.00 O ATOM 0 H SER A 99 -9.118 -2.085 6.773 1.00 0.00 H new ATOM 0 HA SER A 99 -9.099 -1.686 3.881 1.00 0.00 H new ATOM 0 HB2 SER A 99 -9.870 0.484 4.377 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.618 -0.496 5.622 1.00 0.00 H new ATOM 0 HG SER A 99 -8.124 0.335 6.401 1.00 0.00 H new ATOM 1338 N PHE A 100 -6.816 -0.803 3.515 1.00 0.00 N ATOM 1339 CA PHE A 100 -5.436 -0.387 3.281 1.00 0.00 C ATOM 1340 C PHE A 100 -5.371 0.720 2.237 1.00 0.00 C ATOM 1341 O PHE A 100 -6.180 0.762 1.311 1.00 0.00 O ATOM 1342 CB PHE A 100 -4.592 -1.580 2.826 1.00 0.00 C ATOM 1343 CG PHE A 100 -4.076 -2.417 3.961 1.00 0.00 C ATOM 1344 CD1 PHE A 100 -2.917 -2.061 4.631 1.00 0.00 C ATOM 1345 CD2 PHE A 100 -4.750 -3.561 4.358 1.00 0.00 C ATOM 1346 CE1 PHE A 100 -2.440 -2.829 5.676 1.00 0.00 C ATOM 1347 CE2 PHE A 100 -4.278 -4.334 5.401 1.00 0.00 C ATOM 1348 CZ PHE A 100 -3.122 -3.968 6.062 1.00 0.00 C ATOM 0 H PHE A 100 -7.337 -1.037 2.670 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.036 -0.002 4.219 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.190 -2.207 2.165 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.748 -1.215 2.241 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -2.380 -1.173 4.333 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.655 -3.852 3.846 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.536 -2.540 6.191 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.813 -5.224 5.699 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.752 -4.570 6.879 1.00 0.00 H new ATOM 1358 N GLY A 101 -4.399 1.617 2.389 1.00 0.00 N ATOM 1359 CA GLY A 101 -4.251 2.707 1.444 1.00 0.00 C ATOM 1360 C GLY A 101 -3.463 3.878 2.001 1.00 0.00 C ATOM 1361 O GLY A 101 -2.652 3.722 2.913 1.00 0.00 O ATOM 0 H GLY A 101 -3.716 1.607 3.146 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.754 2.337 0.547 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.239 3.053 1.141 1.00 0.00 H new ATOM 1365 N VAL A 102 -3.707 5.056 1.439 1.00 0.00 N ATOM 1366 CA VAL A 102 -3.024 6.275 1.861 1.00 0.00 C ATOM 1367 C VAL A 102 -3.973 7.471 1.789 1.00 0.00 C ATOM 1368 O VAL A 102 -4.539 7.758 0.737 1.00 0.00 O ATOM 1369 CB VAL A 102 -1.771 6.560 0.995 1.00 0.00 C ATOM 1370 CG1 VAL A 102 -0.520 6.578 1.856 1.00 0.00 C ATOM 1371 CG2 VAL A 102 -1.624 5.530 -0.118 1.00 0.00 C ATOM 0 H VAL A 102 -4.378 5.194 0.684 1.00 0.00 H new ATOM 0 HA VAL A 102 -2.702 6.124 2.891 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.900 7.541 0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.349 6.780 1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.611 7.357 2.613 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -0.400 5.610 2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.736 5.756 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.526 4.535 0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.504 5.560 -0.760 1.00 0.00 H new ATOM 1381 N ARG A 103 -4.157 8.160 2.913 1.00 0.00 N ATOM 1382 CA ARG A 103 -5.054 9.312 2.952 1.00 0.00 C ATOM 1383 C ARG A 103 -4.370 10.546 3.531 1.00 0.00 C ATOM 1384 O ARG A 103 -3.241 10.479 4.018 1.00 0.00 O ATOM 1385 CB ARG A 103 -6.314 8.978 3.763 1.00 0.00 C ATOM 1386 CG ARG A 103 -6.123 9.070 5.271 1.00 0.00 C ATOM 1387 CD ARG A 103 -6.773 10.320 5.844 1.00 0.00 C ATOM 1388 NE ARG A 103 -6.358 10.570 7.223 1.00 0.00 N ATOM 1389 CZ ARG A 103 -6.775 9.853 8.264 1.00 0.00 C ATOM 1390 NH1 ARG A 103 -7.615 8.841 8.087 1.00 0.00 N ATOM 1391 NH2 ARG A 103 -6.350 10.150 9.485 1.00 0.00 N ATOM 0 H ARG A 103 -3.702 7.944 3.800 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.336 9.542 1.925 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -7.115 9.656 3.467 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -6.640 7.969 3.509 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.550 8.187 5.747 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.058 9.074 5.504 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -6.513 11.179 5.226 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -7.857 10.215 5.805 1.00 0.00 H new ATOM 0 HE ARG A 103 -5.711 11.339 7.398 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.944 8.609 7.150 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -7.931 8.295 8.888 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.704 10.927 9.625 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -6.669 9.601 10.284 1.00 0.00 H new ATOM 1405 N VAL A 104 -5.074 11.672 3.471 1.00 0.00 N ATOM 1406 CA VAL A 104 -4.562 12.935 3.986 1.00 0.00 C ATOM 1407 C VAL A 104 -5.555 13.561 4.961 1.00 0.00 C ATOM 1408 O VAL A 104 -6.735 13.713 4.645 1.00 0.00 O ATOM 1409 CB VAL A 104 -4.283 13.930 2.842 1.00 0.00 C ATOM 1410 CG1 VAL A 104 -3.676 15.215 3.382 1.00 0.00 C ATOM 1411 CG2 VAL A 104 -3.373 13.304 1.796 1.00 0.00 C ATOM 0 H VAL A 104 -6.009 11.734 3.067 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.628 12.720 4.505 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.232 14.176 2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -3.487 15.903 2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.367 15.676 4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.737 14.989 3.888 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.188 14.023 0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.426 13.024 2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -3.851 12.416 1.382 1.00 0.00 H new ATOM 1421 N GLY A 105 -5.075 13.919 6.147 1.00 0.00 N ATOM 1422 CA GLY A 105 -5.941 14.521 7.143 1.00 0.00 C ATOM 1423 C GLY A 105 -5.238 15.579 7.970 1.00 0.00 C ATOM 1424 O GLY A 105 -4.112 15.970 7.663 1.00 0.00 O ATOM 0 H GLY A 105 -4.104 13.803 6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.803 14.967 6.647 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.322 13.743 7.805 1.00 0.00 H new ATOM 1428 N SER A 106 -5.905 16.044 9.022 1.00 0.00 N ATOM 1429 CA SER A 106 -5.342 17.064 9.898 1.00 0.00 C ATOM 1430 C SER A 106 -4.036 16.583 10.523 1.00 0.00 C ATOM 1431 O SER A 106 -3.094 17.358 10.692 1.00 0.00 O ATOM 1432 CB SER A 106 -6.340 17.431 10.997 1.00 0.00 C ATOM 1433 OG SER A 106 -6.406 16.418 11.986 1.00 0.00 O ATOM 0 H SER A 106 -6.838 15.729 9.288 1.00 0.00 H new ATOM 0 HA SER A 106 -5.133 17.949 9.296 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.048 18.375 11.458 1.00 0.00 H new ATOM 0 HB3 SER A 106 -7.327 17.582 10.560 1.00 0.00 H new ATOM 0 HG SER A 106 -7.050 16.678 12.678 1.00 0.00 H new ATOM 1439 N SER A 107 -3.986 15.299 10.861 1.00 0.00 N ATOM 1440 CA SER A 107 -2.796 14.715 11.466 1.00 0.00 C ATOM 1441 C SER A 107 -1.605 14.807 10.517 1.00 0.00 C ATOM 1442 O SER A 107 -0.456 14.885 10.954 1.00 0.00 O ATOM 1443 CB SER A 107 -3.054 13.254 11.843 1.00 0.00 C ATOM 1444 OG SER A 107 -1.886 12.649 12.370 1.00 0.00 O ATOM 0 H SER A 107 -4.756 14.644 10.726 1.00 0.00 H new ATOM 0 HA SER A 107 -2.562 15.278 12.369 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.858 13.201 12.578 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.388 12.702 10.965 1.00 0.00 H new ATOM 0 HG SER A 107 -1.257 12.463 11.642 1.00 0.00 H new ATOM 1450 N ASP A 108 -1.887 14.799 9.218 1.00 0.00 N ATOM 1451 CA ASP A 108 -0.841 14.883 8.206 1.00 0.00 C ATOM 1452 C ASP A 108 -1.406 15.388 6.883 1.00 0.00 C ATOM 1453 O ASP A 108 -1.818 14.600 6.032 1.00 0.00 O ATOM 1454 CB ASP A 108 -0.188 13.515 8.004 1.00 0.00 C ATOM 1455 CG ASP A 108 0.617 13.074 9.212 1.00 0.00 C ATOM 1456 OD1 ASP A 108 0.013 12.527 10.158 1.00 0.00 O ATOM 1457 OD2 ASP A 108 1.849 13.276 9.210 1.00 0.00 O ATOM 0 H ASP A 108 -2.833 14.735 8.841 1.00 0.00 H new ATOM 0 HA ASP A 108 -0.088 15.590 8.554 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.960 12.774 7.795 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.463 13.552 7.131 1.00 0.00 H new ATOM 1462 N TRP A 109 -1.426 16.707 6.716 1.00 0.00 N ATOM 1463 CA TRP A 109 -1.945 17.311 5.493 1.00 0.00 C ATOM 1464 C TRP A 109 -0.835 17.484 4.457 1.00 0.00 C ATOM 1465 O TRP A 109 0.316 17.750 4.804 1.00 0.00 O ATOM 1466 CB TRP A 109 -2.616 18.658 5.811 1.00 0.00 C ATOM 1467 CG TRP A 109 -1.787 19.859 5.460 1.00 0.00 C ATOM 1468 CD1 TRP A 109 -0.636 20.270 6.071 1.00 0.00 C ATOM 1469 CD2 TRP A 109 -2.046 20.803 4.415 1.00 0.00 C ATOM 1470 NE1 TRP A 109 -0.165 21.411 5.468 1.00 0.00 N ATOM 1471 CE2 TRP A 109 -1.013 21.758 4.449 1.00 0.00 C ATOM 1472 CE3 TRP A 109 -3.052 20.932 3.452 1.00 0.00 C ATOM 1473 CZ2 TRP A 109 -0.957 22.828 3.559 1.00 0.00 C ATOM 1474 CZ3 TRP A 109 -2.995 21.995 2.569 1.00 0.00 C ATOM 1475 CH2 TRP A 109 -1.954 22.930 2.627 1.00 0.00 C ATOM 0 H TRP A 109 -1.090 17.376 7.409 1.00 0.00 H new ATOM 0 HA TRP A 109 -2.694 16.644 5.067 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -3.563 18.715 5.274 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -2.851 18.691 6.875 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -0.166 19.771 6.905 1.00 0.00 H new ATOM 0 HE1 TRP A 109 0.679 21.918 5.735 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -3.858 20.215 3.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -0.156 23.551 3.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -3.767 22.106 1.822 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -1.938 23.748 1.922 1.00 0.00 H new ATOM 1486 N GLY A 110 -1.190 17.332 3.183 1.00 0.00 N ATOM 1487 CA GLY A 110 -0.211 17.476 2.120 1.00 0.00 C ATOM 1488 C GLY A 110 -0.544 16.643 0.897 1.00 0.00 C ATOM 1489 O GLY A 110 -1.451 15.811 0.930 1.00 0.00 O ATOM 0 H GLY A 110 -2.135 17.112 2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.146 18.525 1.832 1.00 0.00 H new ATOM 0 HA3 GLY A 110 0.771 17.186 2.495 1.00 0.00 H new ATOM 1493 N TYR A 111 0.194 16.870 -0.185 1.00 0.00 N ATOM 1494 CA TYR A 111 -0.017 16.138 -1.432 1.00 0.00 C ATOM 1495 C TYR A 111 0.835 14.872 -1.457 1.00 0.00 C ATOM 1496 O TYR A 111 1.915 14.834 -0.867 1.00 0.00 O ATOM 1497 CB TYR A 111 0.324 17.022 -2.641 1.00 0.00 C ATOM 1498 CG TYR A 111 0.322 18.508 -2.343 1.00 0.00 C ATOM 1499 CD1 TYR A 111 -0.814 19.136 -1.848 1.00 0.00 C ATOM 1500 CD2 TYR A 111 1.457 19.281 -2.556 1.00 0.00 C ATOM 1501 CE1 TYR A 111 -0.820 20.490 -1.575 1.00 0.00 C ATOM 1502 CE2 TYR A 111 1.459 20.636 -2.284 1.00 0.00 C ATOM 1503 CZ TYR A 111 0.318 21.235 -1.795 1.00 0.00 C ATOM 1504 OH TYR A 111 0.317 22.585 -1.524 1.00 0.00 O ATOM 0 H TYR A 111 0.947 17.557 -0.225 1.00 0.00 H new ATOM 0 HA TYR A 111 -1.069 15.857 -1.489 1.00 0.00 H new ATOM 0 HB2 TYR A 111 1.307 16.740 -3.018 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -0.393 16.821 -3.437 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -1.708 18.556 -1.674 1.00 0.00 H new ATOM 0 HD2 TYR A 111 2.352 18.815 -2.940 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -1.712 20.962 -1.191 1.00 0.00 H new ATOM 0 HE2 TYR A 111 2.350 21.222 -2.454 1.00 0.00 H new ATOM 0 HH TYR A 111 1.197 22.961 -1.733 1.00 0.00 H new ATOM 1514 N MET A 112 0.346 13.835 -2.131 1.00 0.00 N ATOM 1515 CA MET A 112 1.080 12.574 -2.212 1.00 0.00 C ATOM 1516 C MET A 112 0.528 11.684 -3.327 1.00 0.00 C ATOM 1517 O MET A 112 -0.678 11.448 -3.403 1.00 0.00 O ATOM 1518 CB MET A 112 1.020 11.859 -0.851 1.00 0.00 C ATOM 1519 CG MET A 112 1.096 10.337 -0.913 1.00 0.00 C ATOM 1520 SD MET A 112 2.776 9.739 -1.169 1.00 0.00 S ATOM 1521 CE MET A 112 2.491 7.986 -1.401 1.00 0.00 C ATOM 0 H MET A 112 -0.546 13.841 -2.625 1.00 0.00 H new ATOM 0 HA MET A 112 2.121 12.786 -2.456 1.00 0.00 H new ATOM 0 HB2 MET A 112 1.839 12.223 -0.231 1.00 0.00 H new ATOM 0 HB3 MET A 112 0.093 12.140 -0.351 1.00 0.00 H new ATOM 0 HG2 MET A 112 0.702 9.919 0.013 1.00 0.00 H new ATOM 0 HG3 MET A 112 0.459 9.977 -1.721 1.00 0.00 H new ATOM 0 HE1 MET A 112 3.121 7.421 -0.714 1.00 0.00 H new ATOM 0 HE2 MET A 112 1.443 7.758 -1.204 1.00 0.00 H new ATOM 0 HE3 MET A 112 2.735 7.710 -2.427 1.00 0.00 H new ATOM 1531 N ASN A 113 1.420 11.178 -4.182 1.00 0.00 N ATOM 1532 CA ASN A 113 1.016 10.302 -5.272 1.00 0.00 C ATOM 1533 C ASN A 113 0.823 8.890 -4.753 1.00 0.00 C ATOM 1534 O ASN A 113 1.130 8.603 -3.599 1.00 0.00 O ATOM 1535 CB ASN A 113 2.058 10.305 -6.388 1.00 0.00 C ATOM 1536 CG ASN A 113 1.448 10.050 -7.754 1.00 0.00 C ATOM 1537 OD1 ASN A 113 0.259 10.270 -7.966 1.00 0.00 O ATOM 1538 ND2 ASN A 113 2.263 9.587 -8.691 1.00 0.00 N ATOM 0 H ASN A 113 2.422 11.362 -4.137 1.00 0.00 H new ATOM 0 HA ASN A 113 0.075 10.672 -5.679 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.573 11.266 -6.397 1.00 0.00 H new ATOM 0 HB3 ASN A 113 2.809 9.543 -6.181 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.908 9.400 -9.629 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.245 9.417 -8.474 1.00 0.00 H new ATOM 1545 N VAL A 114 0.308 8.014 -5.597 1.00 0.00 N ATOM 1546 CA VAL A 114 0.072 6.640 -5.196 1.00 0.00 C ATOM 1547 C VAL A 114 0.102 5.697 -6.396 1.00 0.00 C ATOM 1548 O VAL A 114 -0.701 5.821 -7.318 1.00 0.00 O ATOM 1549 CB VAL A 114 -1.276 6.523 -4.453 1.00 0.00 C ATOM 1550 CG1 VAL A 114 -1.779 5.091 -4.440 1.00 0.00 C ATOM 1551 CG2 VAL A 114 -1.140 7.056 -3.033 1.00 0.00 C ATOM 0 H VAL A 114 0.047 8.228 -6.559 1.00 0.00 H new ATOM 0 HA VAL A 114 0.875 6.345 -4.520 1.00 0.00 H new ATOM 0 HB VAL A 114 -2.010 7.125 -4.988 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -2.730 5.044 -3.909 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -1.918 4.745 -5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -1.051 4.454 -3.937 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.097 6.969 -2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.386 6.478 -2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -0.839 8.103 -3.065 1.00 0.00 H new ATOM 1561 N HIS A 115 1.031 4.750 -6.366 1.00 0.00 N ATOM 1562 CA HIS A 115 1.172 3.773 -7.440 1.00 0.00 C ATOM 1563 C HIS A 115 0.460 2.485 -7.097 1.00 0.00 C ATOM 1564 O HIS A 115 -0.430 2.045 -7.827 1.00 0.00 O ATOM 1565 CB HIS A 115 2.652 3.498 -7.721 1.00 0.00 C ATOM 1566 CG HIS A 115 3.076 3.870 -9.109 1.00 0.00 C ATOM 1567 ND1 HIS A 115 2.225 3.824 -10.194 1.00 0.00 N ATOM 1568 CD2 HIS A 115 4.269 4.297 -9.588 1.00 0.00 C ATOM 1569 CE1 HIS A 115 2.877 4.205 -11.278 1.00 0.00 C ATOM 1570 NE2 HIS A 115 4.118 4.499 -10.937 1.00 0.00 N ATOM 0 H HIS A 115 1.702 4.637 -5.606 1.00 0.00 H new ATOM 0 HA HIS A 115 0.713 4.190 -8.337 1.00 0.00 H new ATOM 0 HB2 HIS A 115 3.259 4.051 -7.004 1.00 0.00 H new ATOM 0 HB3 HIS A 115 2.854 2.439 -7.560 1.00 0.00 H new ATOM 0 HD2 HIS A 115 5.171 4.450 -9.015 1.00 0.00 H new ATOM 0 HE1 HIS A 115 2.465 4.266 -12.274 1.00 0.00 H new ATOM 0 HE2 HIS A 115 4.846 4.824 -11.573 1.00 0.00 H new ATOM 1579 N SER A 116 0.857 1.869 -5.995 1.00 0.00 N ATOM 1580 CA SER A 116 0.253 0.616 -5.587 1.00 0.00 C ATOM 1581 C SER A 116 0.866 0.113 -4.284 1.00 0.00 C ATOM 1582 O SER A 116 2.060 0.292 -4.038 1.00 0.00 O ATOM 1583 CB SER A 116 0.445 -0.408 -6.703 1.00 0.00 C ATOM 1584 OG SER A 116 -0.630 -1.329 -6.750 1.00 0.00 O ATOM 0 H SER A 116 1.588 2.214 -5.373 1.00 0.00 H new ATOM 0 HA SER A 116 -0.811 0.769 -5.409 1.00 0.00 H new ATOM 0 HB2 SER A 116 0.528 0.106 -7.660 1.00 0.00 H new ATOM 0 HB3 SER A 116 1.380 -0.946 -6.548 1.00 0.00 H new ATOM 0 HG SER A 116 -0.479 -1.971 -7.475 1.00 0.00 H new ATOM 1590 N LEU A 117 0.041 -0.511 -3.449 1.00 0.00 N ATOM 1591 CA LEU A 117 0.504 -1.036 -2.172 1.00 0.00 C ATOM 1592 C LEU A 117 1.023 -2.457 -2.329 1.00 0.00 C ATOM 1593 O LEU A 117 0.693 -3.150 -3.292 1.00 0.00 O ATOM 1594 CB LEU A 117 -0.624 -1.013 -1.138 1.00 0.00 C ATOM 1595 CG LEU A 117 -0.829 0.324 -0.425 1.00 0.00 C ATOM 1596 CD1 LEU A 117 -0.936 1.452 -1.438 1.00 0.00 C ATOM 1597 CD2 LEU A 117 -2.068 0.266 0.454 1.00 0.00 C ATOM 0 H LEU A 117 -0.950 -0.665 -3.635 1.00 0.00 H new ATOM 0 HA LEU A 117 1.318 -0.399 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -1.555 -1.288 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -0.424 -1.779 -0.389 1.00 0.00 H new ATOM 0 HG LEU A 117 0.034 0.520 0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.082 2.398 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -0.020 1.500 -2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -1.783 1.268 -2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.203 1.224 0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -2.942 0.053 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.949 -0.521 1.199 1.00 0.00 H new ATOM 1609 N LYS A 118 1.833 -2.888 -1.372 1.00 0.00 N ATOM 1610 CA LYS A 118 2.395 -4.229 -1.395 1.00 0.00 C ATOM 1611 C LYS A 118 2.318 -4.861 -0.012 1.00 0.00 C ATOM 1612 O LYS A 118 2.542 -4.196 0.996 1.00 0.00 O ATOM 1613 CB LYS A 118 3.847 -4.189 -1.877 1.00 0.00 C ATOM 1614 CG LYS A 118 4.559 -5.531 -1.794 1.00 0.00 C ATOM 1615 CD LYS A 118 3.998 -6.523 -2.800 1.00 0.00 C ATOM 1616 CE LYS A 118 4.766 -6.479 -4.111 1.00 0.00 C ATOM 1617 NZ LYS A 118 4.039 -7.183 -5.204 1.00 0.00 N ATOM 0 H LYS A 118 2.115 -2.326 -0.569 1.00 0.00 H new ATOM 0 HA LYS A 118 1.813 -4.836 -2.088 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.868 -3.841 -2.910 1.00 0.00 H new ATOM 0 HB3 LYS A 118 4.397 -3.459 -1.283 1.00 0.00 H new ATOM 0 HG2 LYS A 118 5.625 -5.390 -1.976 1.00 0.00 H new ATOM 0 HG3 LYS A 118 4.458 -5.936 -0.787 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.043 -7.530 -2.384 1.00 0.00 H new ATOM 0 HD3 LYS A 118 2.947 -6.301 -2.985 1.00 0.00 H new ATOM 0 HE2 LYS A 118 4.936 -5.441 -4.398 1.00 0.00 H new ATOM 0 HE3 LYS A 118 5.746 -6.936 -3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 4.651 -7.919 -5.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 3.177 -7.621 -4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 3.781 -6.500 -5.945 1.00 0.00 H new ATOM 1631 N LEU A 119 2.004 -6.149 0.028 1.00 0.00 N ATOM 1632 CA LEU A 119 1.905 -6.872 1.288 1.00 0.00 C ATOM 1633 C LEU A 119 2.272 -8.335 1.071 1.00 0.00 C ATOM 1634 O LEU A 119 1.525 -9.085 0.445 1.00 0.00 O ATOM 1635 CB LEU A 119 0.492 -6.743 1.869 1.00 0.00 C ATOM 1636 CG LEU A 119 0.345 -5.692 2.976 1.00 0.00 C ATOM 1637 CD1 LEU A 119 -1.064 -5.123 3.003 1.00 0.00 C ATOM 1638 CD2 LEU A 119 0.700 -6.294 4.327 1.00 0.00 C ATOM 0 H LEU A 119 1.813 -6.715 -0.799 1.00 0.00 H new ATOM 0 HA LEU A 119 2.603 -6.440 2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.197 -6.498 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.187 -7.712 2.265 1.00 0.00 H new ATOM 0 HG LEU A 119 1.035 -4.876 2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -1.141 -4.380 3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -1.285 -4.654 2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -1.777 -5.926 3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 119 0.591 -5.536 5.103 1.00 0.00 H new ATOM 0 HD22 LEU A 119 0.033 -7.130 4.540 1.00 0.00 H new ATOM 0 HD23 LEU A 119 1.731 -6.648 4.308 1.00 0.00 H new ATOM 1650 N GLU A 120 3.440 -8.729 1.565 1.00 0.00 N ATOM 1651 CA GLU A 120 3.912 -10.098 1.392 1.00 0.00 C ATOM 1652 C GLU A 120 4.230 -10.760 2.730 1.00 0.00 C ATOM 1653 O GLU A 120 4.110 -10.146 3.789 1.00 0.00 O ATOM 1654 CB GLU A 120 5.152 -10.119 0.495 1.00 0.00 C ATOM 1655 CG GLU A 120 5.186 -9.003 -0.539 1.00 0.00 C ATOM 1656 CD GLU A 120 6.507 -8.932 -1.279 1.00 0.00 C ATOM 1657 OE1 GLU A 120 7.052 -10.001 -1.627 1.00 0.00 O ATOM 1658 OE2 GLU A 120 6.999 -7.808 -1.511 1.00 0.00 O ATOM 0 H GLU A 120 4.075 -8.124 2.086 1.00 0.00 H new ATOM 0 HA GLU A 120 3.110 -10.665 0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 120 6.042 -10.048 1.121 1.00 0.00 H new ATOM 0 HB3 GLU A 120 5.200 -11.079 -0.019 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.380 -9.154 -1.257 1.00 0.00 H new ATOM 0 HG3 GLU A 120 4.999 -8.050 -0.045 1.00 0.00 H new ATOM 1665 N LEU A 121 4.634 -12.025 2.663 1.00 0.00 N ATOM 1666 CA LEU A 121 4.970 -12.799 3.854 1.00 0.00 C ATOM 1667 C LEU A 121 6.359 -12.427 4.379 1.00 0.00 C ATOM 1668 O LEU A 121 7.246 -13.276 4.467 1.00 0.00 O ATOM 1669 CB LEU A 121 4.918 -14.296 3.523 1.00 0.00 C ATOM 1670 CG LEU A 121 3.522 -14.931 3.478 1.00 0.00 C ATOM 1671 CD1 LEU A 121 3.206 -15.634 4.791 1.00 0.00 C ATOM 1672 CD2 LEU A 121 2.453 -13.894 3.165 1.00 0.00 C ATOM 0 H LEU A 121 4.737 -12.540 1.788 1.00 0.00 H new ATOM 0 HA LEU A 121 4.243 -12.570 4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.396 -14.450 2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.514 -14.831 4.262 1.00 0.00 H new ATOM 0 HG LEU A 121 3.522 -15.670 2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 121 2.212 -16.077 4.736 1.00 0.00 H new ATOM 0 HD12 LEU A 121 3.943 -16.417 4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 121 3.237 -14.912 5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 121 1.475 -14.375 3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 121 2.458 -13.122 3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 121 2.659 -13.440 2.195 1.00 0.00 H new ATOM 1684 N LEU A 122 6.539 -11.152 4.724 1.00 0.00 N ATOM 1685 CA LEU A 122 7.817 -10.655 5.238 1.00 0.00 C ATOM 1686 C LEU A 122 8.995 -11.211 4.442 1.00 0.00 C ATOM 1687 O LEU A 122 9.508 -12.289 4.742 1.00 0.00 O ATOM 1688 CB LEU A 122 7.978 -11.003 6.717 1.00 0.00 C ATOM 1689 CG LEU A 122 7.348 -10.002 7.690 1.00 0.00 C ATOM 1690 CD1 LEU A 122 5.858 -10.255 7.807 1.00 0.00 C ATOM 1691 CD2 LEU A 122 8.021 -10.085 9.053 1.00 0.00 C ATOM 0 H LEU A 122 5.812 -10.440 4.656 1.00 0.00 H new ATOM 0 HA LEU A 122 7.812 -9.571 5.127 1.00 0.00 H new ATOM 0 HB2 LEU A 122 7.538 -11.985 6.894 1.00 0.00 H new ATOM 0 HB3 LEU A 122 9.041 -11.085 6.942 1.00 0.00 H new ATOM 0 HG LEU A 122 7.497 -8.994 7.302 1.00 0.00 H new ATOM 0 HD11 LEU A 122 5.421 -9.538 8.501 1.00 0.00 H new ATOM 0 HD12 LEU A 122 5.392 -10.143 6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 122 5.689 -11.267 8.176 1.00 0.00 H new ATOM 0 HD21 LEU A 122 7.560 -9.367 9.731 1.00 0.00 H new ATOM 0 HD22 LEU A 122 7.904 -11.091 9.456 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.082 -9.857 8.949 1.00 0.00 H new