USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 722 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 55 SER OG : rot -126:sc= 0.693 USER MOD Set 1.2: A 83 THR OG1 : rot 74:sc= 0.994 USER MOD Set 2.1: A 37 LYS NZ :NH3+ -131:sc= -0.315 (180deg=0) USER MOD Set 2.2: A 41 LYS NZ :NH3+ 180:sc= -0.268 (180deg=0) USER MOD Set 3.1: A 29 MET CE :methyl -179:sc= 0 (180deg=-0.00174) USER MOD Set 3.2: A 32 THR OG1 : rot 180:sc= 0.00608 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.12 (180deg=0) USER MOD Single : A 2 SER OG : rot -57:sc= 0.487 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 53:sc= 1.1 USER MOD Single : A 6 SER OG : rot -57:sc= 0.314 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0387 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.72 K(o=-1.7,f=-2.4) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.285 K(o=-0.29,f=-2.1!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -52:sc= 0.907 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-3.1!) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc=-0.00859 X(o=-0.0086,f=-0.0029) USER MOD Single : A 64 MET CE :methyl 172:sc= -0.531 (180deg=-0.733) USER MOD Single : A 65 THR OG1 : rot -149:sc= -0.832 USER MOD Single : A 66 HIS : no HE2:sc= -4.3 K(o=-4.3,f=-7.6!) USER MOD Single : A 70 GLN : amide:sc= -0.0201 K(o=-0.02,f=-1.8!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot -106:sc= -0.471 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl -159:sc= -1.45 (180deg=-3.14!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 35:sc= 0.0547 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.553 -22.623 8.486 1.00 0.00 N ATOM 2 CA GLY A 1 -5.418 -22.029 9.171 1.00 0.00 C ATOM 3 C GLY A 1 -5.870 -20.913 10.116 1.00 0.00 C ATOM 4 O GLY A 1 -7.066 -20.725 10.332 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.566 -23.648 8.660 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.434 -22.200 8.842 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.473 -22.446 7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.888 -22.796 9.736 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.716 -21.629 8.439 1.00 0.00 H new ATOM 8 N SER A 2 -4.889 -20.203 10.653 1.00 0.00 N ATOM 9 CA SER A 2 -5.171 -19.111 11.570 1.00 0.00 C ATOM 10 C SER A 2 -4.755 -17.780 10.941 1.00 0.00 C ATOM 11 O SER A 2 -3.670 -17.271 11.217 1.00 0.00 O ATOM 12 CB SER A 2 -4.454 -19.314 12.906 1.00 0.00 C ATOM 13 OG SER A 2 -4.340 -18.099 13.641 1.00 0.00 O ATOM 0 H SER A 2 -3.898 -20.362 10.471 1.00 0.00 H new ATOM 0 HA SER A 2 -6.244 -19.095 11.764 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.997 -20.048 13.501 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.460 -19.723 12.725 1.00 0.00 H new ATOM 0 HG SER A 2 -3.868 -17.432 13.100 1.00 0.00 H new ATOM 19 N SER A 3 -5.641 -17.253 10.108 1.00 0.00 N ATOM 20 CA SER A 3 -5.379 -15.990 9.438 1.00 0.00 C ATOM 21 C SER A 3 -6.670 -15.176 9.333 1.00 0.00 C ATOM 22 O SER A 3 -7.566 -15.522 8.565 1.00 0.00 O ATOM 23 CB SER A 3 -4.781 -16.218 8.049 1.00 0.00 C ATOM 24 OG SER A 3 -3.557 -16.946 8.107 1.00 0.00 O ATOM 0 H SER A 3 -6.541 -17.677 9.882 1.00 0.00 H new ATOM 0 HA SER A 3 -4.653 -15.433 10.030 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.496 -16.761 7.431 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.608 -15.256 7.566 1.00 0.00 H new ATOM 0 HG SER A 3 -3.208 -17.072 7.200 1.00 0.00 H new ATOM 30 N GLY A 4 -6.724 -14.109 10.117 1.00 0.00 N ATOM 31 CA GLY A 4 -7.890 -13.242 10.122 1.00 0.00 C ATOM 32 C GLY A 4 -8.007 -12.487 11.447 1.00 0.00 C ATOM 33 O GLY A 4 -8.692 -12.936 12.364 1.00 0.00 O ATOM 0 H GLY A 4 -5.979 -13.825 10.753 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.822 -12.531 9.299 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.789 -13.835 9.957 1.00 0.00 H new ATOM 37 N SER A 5 -7.326 -11.352 11.506 1.00 0.00 N ATOM 38 CA SER A 5 -7.344 -10.529 12.704 1.00 0.00 C ATOM 39 C SER A 5 -6.518 -9.261 12.481 1.00 0.00 C ATOM 40 O SER A 5 -5.500 -9.292 11.791 1.00 0.00 O ATOM 41 CB SER A 5 -6.812 -11.304 13.912 1.00 0.00 C ATOM 42 OG SER A 5 -7.863 -11.889 14.676 1.00 0.00 O ATOM 0 H SER A 5 -6.758 -10.983 10.743 1.00 0.00 H new ATOM 0 HA SER A 5 -8.377 -10.249 12.911 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.133 -12.086 13.571 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.233 -10.633 14.546 1.00 0.00 H new ATOM 0 HG SER A 5 -8.434 -12.426 14.089 1.00 0.00 H new ATOM 48 N SER A 6 -6.987 -8.175 13.078 1.00 0.00 N ATOM 49 CA SER A 6 -6.304 -6.899 12.953 1.00 0.00 C ATOM 50 C SER A 6 -4.925 -6.977 13.610 1.00 0.00 C ATOM 51 O SER A 6 -4.515 -8.038 14.077 1.00 0.00 O ATOM 52 CB SER A 6 -7.127 -5.770 13.579 1.00 0.00 C ATOM 53 OG SER A 6 -7.924 -5.091 12.612 1.00 0.00 O ATOM 0 H SER A 6 -7.832 -8.153 13.649 1.00 0.00 H new ATOM 0 HA SER A 6 -6.182 -6.679 11.892 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.771 -6.179 14.357 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.458 -5.058 14.062 1.00 0.00 H new ATOM 0 HG SER A 6 -7.347 -4.738 11.902 1.00 0.00 H new ATOM 59 N GLY A 7 -4.246 -5.839 13.624 1.00 0.00 N ATOM 60 CA GLY A 7 -2.921 -5.765 14.215 1.00 0.00 C ATOM 61 C GLY A 7 -1.963 -4.979 13.318 1.00 0.00 C ATOM 62 O GLY A 7 -2.107 -4.982 12.096 1.00 0.00 O ATOM 0 H GLY A 7 -4.589 -4.961 13.235 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.982 -5.289 15.194 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.533 -6.771 14.374 1.00 0.00 H new ATOM 66 N SER A 8 -1.006 -4.323 13.959 1.00 0.00 N ATOM 67 CA SER A 8 -0.025 -3.534 13.234 1.00 0.00 C ATOM 68 C SER A 8 1.167 -4.411 12.845 1.00 0.00 C ATOM 69 O SER A 8 1.467 -5.393 13.522 1.00 0.00 O ATOM 70 CB SER A 8 0.445 -2.340 14.066 1.00 0.00 C ATOM 71 OG SER A 8 0.540 -2.659 15.452 1.00 0.00 O ATOM 0 H SER A 8 -0.890 -4.322 14.972 1.00 0.00 H new ATOM 0 HA SER A 8 -0.496 -3.149 12.330 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.417 -2.006 13.704 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.248 -1.509 13.932 1.00 0.00 H new ATOM 0 HG SER A 8 0.845 -1.871 15.949 1.00 0.00 H new ATOM 77 N VAL A 9 1.814 -4.025 11.755 1.00 0.00 N ATOM 78 CA VAL A 9 2.966 -4.763 11.267 1.00 0.00 C ATOM 79 C VAL A 9 4.145 -3.804 11.091 1.00 0.00 C ATOM 80 O VAL A 9 3.962 -2.587 11.076 1.00 0.00 O ATOM 81 CB VAL A 9 2.604 -5.508 9.980 1.00 0.00 C ATOM 82 CG1 VAL A 9 1.772 -4.623 9.050 1.00 0.00 C ATOM 83 CG2 VAL A 9 3.859 -6.021 9.272 1.00 0.00 C ATOM 0 H VAL A 9 1.562 -3.210 11.196 1.00 0.00 H new ATOM 0 HA VAL A 9 3.268 -5.520 11.991 1.00 0.00 H new ATOM 0 HB VAL A 9 1.997 -6.371 10.252 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.528 -5.176 8.143 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.851 -4.329 9.554 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.343 -3.732 8.789 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.574 -6.546 8.361 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.504 -5.179 9.019 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.395 -6.703 9.931 1.00 0.00 H new ATOM 93 N SER A 10 5.327 -4.387 10.961 1.00 0.00 N ATOM 94 CA SER A 10 6.535 -3.598 10.787 1.00 0.00 C ATOM 95 C SER A 10 7.386 -4.187 9.659 1.00 0.00 C ATOM 96 O SER A 10 7.748 -5.362 9.699 1.00 0.00 O ATOM 97 CB SER A 10 7.344 -3.535 12.084 1.00 0.00 C ATOM 98 OG SER A 10 8.544 -2.783 11.928 1.00 0.00 O ATOM 0 H SER A 10 5.474 -5.396 10.973 1.00 0.00 H new ATOM 0 HA SER A 10 6.244 -2.581 10.522 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.735 -3.088 12.870 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.589 -4.546 12.408 1.00 0.00 H new ATOM 0 HG SER A 10 9.031 -2.765 12.778 1.00 0.00 H new ATOM 104 N LEU A 11 7.680 -3.343 8.681 1.00 0.00 N ATOM 105 CA LEU A 11 8.481 -3.765 7.545 1.00 0.00 C ATOM 106 C LEU A 11 9.822 -3.028 7.569 1.00 0.00 C ATOM 107 O LEU A 11 9.906 -1.903 8.060 1.00 0.00 O ATOM 108 CB LEU A 11 7.702 -3.581 6.241 1.00 0.00 C ATOM 109 CG LEU A 11 6.237 -4.024 6.268 1.00 0.00 C ATOM 110 CD1 LEU A 11 5.555 -3.743 4.927 1.00 0.00 C ATOM 111 CD2 LEU A 11 6.116 -5.493 6.676 1.00 0.00 C ATOM 0 H LEU A 11 7.378 -2.369 8.652 1.00 0.00 H new ATOM 0 HA LEU A 11 8.701 -4.831 7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.737 -2.527 5.965 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.214 -4.134 5.454 1.00 0.00 H new ATOM 0 HG LEU A 11 5.716 -3.436 7.024 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.515 -4.067 4.973 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.593 -2.674 4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.070 -4.287 4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.065 -5.782 6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.656 -6.115 5.962 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.541 -5.631 7.670 1.00 0.00 H new ATOM 123 N VAL A 12 10.835 -3.691 7.033 1.00 0.00 N ATOM 124 CA VAL A 12 12.168 -3.112 6.987 1.00 0.00 C ATOM 125 C VAL A 12 12.597 -2.948 5.528 1.00 0.00 C ATOM 126 O VAL A 12 12.910 -3.929 4.855 1.00 0.00 O ATOM 127 CB VAL A 12 13.138 -3.967 7.804 1.00 0.00 C ATOM 128 CG1 VAL A 12 13.080 -5.432 7.365 1.00 0.00 C ATOM 129 CG2 VAL A 12 14.564 -3.422 7.707 1.00 0.00 C ATOM 0 H VAL A 12 10.761 -4.624 6.627 1.00 0.00 H new ATOM 0 HA VAL A 12 12.170 -2.120 7.440 1.00 0.00 H new ATOM 0 HB VAL A 12 12.831 -3.917 8.849 1.00 0.00 H new ATOM 0 HG11 VAL A 12 13.779 -6.018 7.961 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.070 -5.815 7.509 1.00 0.00 H new ATOM 0 HG13 VAL A 12 13.350 -5.507 6.312 1.00 0.00 H new ATOM 0 HG21 VAL A 12 15.234 -4.048 8.297 1.00 0.00 H new ATOM 0 HG22 VAL A 12 14.886 -3.427 6.666 1.00 0.00 H new ATOM 0 HG23 VAL A 12 14.590 -2.402 8.090 1.00 0.00 H new ATOM 139 N GLY A 13 12.599 -1.701 5.081 1.00 0.00 N ATOM 140 CA GLY A 13 12.986 -1.395 3.714 1.00 0.00 C ATOM 141 C GLY A 13 13.021 0.116 3.479 1.00 0.00 C ATOM 142 O GLY A 13 12.337 0.871 4.168 1.00 0.00 O ATOM 0 H GLY A 13 12.339 -0.890 5.642 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.967 -1.822 3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.284 -1.858 3.021 1.00 0.00 H new ATOM 146 N PRO A 14 13.847 0.522 2.477 1.00 0.00 N ATOM 147 CA PRO A 14 13.980 1.930 2.142 1.00 0.00 C ATOM 148 C PRO A 14 12.752 2.431 1.380 1.00 0.00 C ATOM 149 O PRO A 14 12.634 3.623 1.102 1.00 0.00 O ATOM 150 CB PRO A 14 15.262 2.021 1.330 1.00 0.00 C ATOM 151 CG PRO A 14 15.550 0.609 0.846 1.00 0.00 C ATOM 152 CD PRO A 14 14.672 -0.344 1.641 1.00 0.00 C ATOM 0 HA PRO A 14 14.036 2.569 3.023 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.144 2.705 0.490 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.083 2.401 1.938 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.341 0.521 -0.220 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.603 0.365 0.986 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.059 -0.960 0.983 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.272 -1.024 2.246 1.00 0.00 H new ATOM 160 N ALA A 15 11.869 1.495 1.064 1.00 0.00 N ATOM 161 CA ALA A 15 10.654 1.827 0.339 1.00 0.00 C ATOM 162 C ALA A 15 10.069 0.555 -0.277 1.00 0.00 C ATOM 163 O ALA A 15 8.883 0.271 -0.116 1.00 0.00 O ATOM 164 CB ALA A 15 10.962 2.895 -0.712 1.00 0.00 C ATOM 0 H ALA A 15 11.971 0.507 1.297 1.00 0.00 H new ATOM 0 HA ALA A 15 9.905 2.241 1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.051 3.144 -1.256 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.347 3.789 -0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.708 2.515 -1.410 1.00 0.00 H new ATOM 170 N PRO A 16 10.951 -0.198 -0.988 1.00 0.00 N ATOM 171 CA PRO A 16 10.535 -1.433 -1.629 1.00 0.00 C ATOM 172 C PRO A 16 10.357 -2.552 -0.600 1.00 0.00 C ATOM 173 O PRO A 16 11.207 -3.434 -0.484 1.00 0.00 O ATOM 174 CB PRO A 16 11.620 -1.733 -2.650 1.00 0.00 C ATOM 175 CG PRO A 16 12.829 -0.914 -2.225 1.00 0.00 C ATOM 176 CD PRO A 16 12.363 0.107 -1.200 1.00 0.00 C ATOM 0 HA PRO A 16 9.563 -1.347 -2.115 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.856 -2.797 -2.668 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.297 -1.461 -3.655 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.597 -1.560 -1.799 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.274 -0.415 -3.086 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.930 0.024 -0.273 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.498 1.125 -1.566 1.00 0.00 H new ATOM 184 N TRP A 17 9.247 -2.479 0.120 1.00 0.00 N ATOM 185 CA TRP A 17 8.948 -3.474 1.135 1.00 0.00 C ATOM 186 C TRP A 17 8.608 -4.787 0.425 1.00 0.00 C ATOM 187 O TRP A 17 8.755 -5.864 1.001 1.00 0.00 O ATOM 188 CB TRP A 17 7.832 -2.991 2.064 1.00 0.00 C ATOM 189 CG TRP A 17 7.837 -1.481 2.311 1.00 0.00 C ATOM 190 CD1 TRP A 17 7.217 -0.528 1.603 1.00 0.00 C ATOM 191 CD2 TRP A 17 8.524 -0.786 3.373 1.00 0.00 C ATOM 192 NE1 TRP A 17 7.453 0.727 2.129 1.00 0.00 N ATOM 193 CE2 TRP A 17 8.274 0.564 3.239 1.00 0.00 C ATOM 194 CE3 TRP A 17 9.331 -1.282 4.412 1.00 0.00 C ATOM 195 CZ2 TRP A 17 8.792 1.530 4.110 1.00 0.00 C ATOM 196 CZ3 TRP A 17 9.842 -0.304 5.274 1.00 0.00 C ATOM 197 CH2 TRP A 17 9.598 1.059 5.153 1.00 0.00 C ATOM 0 H TRP A 17 8.544 -1.746 0.020 1.00 0.00 H new ATOM 0 HA TRP A 17 9.812 -3.640 1.779 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.870 -3.276 1.638 1.00 0.00 H new ATOM 0 HB3 TRP A 17 7.922 -3.505 3.021 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.609 -0.717 0.731 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.092 1.610 1.769 1.00 0.00 H new ATOM 0 HE3 TRP A 17 9.540 -2.334 4.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.581 2.582 3.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.469 -0.632 6.090 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.029 1.752 5.861 1.00 0.00 H new ATOM 208 N GLY A 18 8.161 -4.653 -0.814 1.00 0.00 N ATOM 209 CA GLY A 18 7.800 -5.815 -1.609 1.00 0.00 C ATOM 210 C GLY A 18 6.280 -5.960 -1.708 1.00 0.00 C ATOM 211 O GLY A 18 5.766 -7.070 -1.833 1.00 0.00 O ATOM 0 H GLY A 18 8.040 -3.758 -1.288 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.226 -5.723 -2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.226 -6.713 -1.162 1.00 0.00 H new ATOM 215 N PHE A 19 5.604 -4.822 -1.649 1.00 0.00 N ATOM 216 CA PHE A 19 4.153 -4.809 -1.730 1.00 0.00 C ATOM 217 C PHE A 19 3.651 -3.502 -2.346 1.00 0.00 C ATOM 218 O PHE A 19 4.240 -2.443 -2.133 1.00 0.00 O ATOM 219 CB PHE A 19 3.623 -4.921 -0.299 1.00 0.00 C ATOM 220 CG PHE A 19 3.624 -3.598 0.470 1.00 0.00 C ATOM 221 CD1 PHE A 19 2.775 -2.600 0.107 1.00 0.00 C ATOM 222 CD2 PHE A 19 4.474 -3.421 1.517 1.00 0.00 C ATOM 223 CE1 PHE A 19 2.775 -1.373 0.821 1.00 0.00 C ATOM 224 CE2 PHE A 19 4.475 -2.194 2.231 1.00 0.00 C ATOM 225 CZ PHE A 19 3.625 -1.195 1.868 1.00 0.00 C ATOM 0 H PHE A 19 6.034 -3.903 -1.546 1.00 0.00 H new ATOM 0 HA PHE A 19 3.808 -5.632 -2.357 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.606 -5.311 -0.329 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.227 -5.647 0.246 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.101 -2.741 -0.725 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.148 -4.214 1.805 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.100 -0.581 0.533 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.150 -2.053 3.062 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.625 -0.261 2.411 1.00 0.00 H new ATOM 235 N ARG A 20 2.566 -3.618 -3.099 1.00 0.00 N ATOM 236 CA ARG A 20 1.978 -2.458 -3.748 1.00 0.00 C ATOM 237 C ARG A 20 0.638 -2.109 -3.097 1.00 0.00 C ATOM 238 O ARG A 20 0.116 -2.878 -2.291 1.00 0.00 O ATOM 239 CB ARG A 20 1.762 -2.713 -5.241 1.00 0.00 C ATOM 240 CG ARG A 20 3.071 -2.563 -6.018 1.00 0.00 C ATOM 241 CD ARG A 20 2.950 -1.479 -7.091 1.00 0.00 C ATOM 242 NE ARG A 20 3.015 -2.090 -8.437 1.00 0.00 N ATOM 243 CZ ARG A 20 2.993 -1.392 -9.581 1.00 0.00 C ATOM 244 NH1 ARG A 20 2.909 -0.055 -9.548 1.00 0.00 N ATOM 245 NH2 ARG A 20 3.056 -2.031 -10.757 1.00 0.00 N ATOM 0 H ARG A 20 2.079 -4.497 -3.274 1.00 0.00 H new ATOM 0 HA ARG A 20 2.671 -1.625 -3.631 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.361 -3.716 -5.388 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.022 -2.013 -5.630 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.879 -2.311 -5.331 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.333 -3.513 -6.484 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.009 -0.941 -6.972 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.751 -0.749 -6.975 1.00 0.00 H new ATOM 0 HE ARG A 20 3.081 -3.106 -8.498 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.862 0.431 -8.653 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.892 0.477 -10.418 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.121 -3.049 -10.782 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.039 -1.500 -11.628 1.00 0.00 H new ATOM 259 N LEU A 21 0.118 -0.949 -3.472 1.00 0.00 N ATOM 260 CA LEU A 21 -1.151 -0.489 -2.935 1.00 0.00 C ATOM 261 C LEU A 21 -2.052 -0.035 -4.086 1.00 0.00 C ATOM 262 O LEU A 21 -1.566 0.460 -5.101 1.00 0.00 O ATOM 263 CB LEU A 21 -0.924 0.586 -1.870 1.00 0.00 C ATOM 264 CG LEU A 21 -0.435 0.089 -0.509 1.00 0.00 C ATOM 265 CD1 LEU A 21 -0.148 1.261 0.432 1.00 0.00 C ATOM 266 CD2 LEU A 21 -1.426 -0.905 0.100 1.00 0.00 C ATOM 0 H LEU A 21 0.553 -0.314 -4.141 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.668 -1.303 -2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.199 1.303 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.859 1.126 -1.723 1.00 0.00 H new ATOM 0 HG LEU A 21 0.505 -0.443 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.198 0.880 1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.621 1.898 -0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.059 1.841 0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.054 -1.243 1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.393 -0.420 0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.538 -1.761 -0.565 1.00 0.00 H new ATOM 278 N GLN A 22 -3.349 -0.221 -3.888 1.00 0.00 N ATOM 279 CA GLN A 22 -4.322 0.164 -4.896 1.00 0.00 C ATOM 280 C GLN A 22 -5.615 0.640 -4.232 1.00 0.00 C ATOM 281 O GLN A 22 -6.036 0.086 -3.217 1.00 0.00 O ATOM 282 CB GLN A 22 -4.595 -0.991 -5.863 1.00 0.00 C ATOM 283 CG GLN A 22 -5.054 -2.240 -5.109 1.00 0.00 C ATOM 284 CD GLN A 22 -5.462 -3.349 -6.081 1.00 0.00 C ATOM 285 OE1 GLN A 22 -5.601 -3.142 -7.276 1.00 0.00 O ATOM 286 NE2 GLN A 22 -5.645 -4.533 -5.505 1.00 0.00 N ATOM 0 H GLN A 22 -3.748 -0.633 -3.045 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.909 0.990 -5.475 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.359 -0.695 -6.582 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.692 -1.216 -6.431 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.251 -2.595 -4.463 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.896 -1.990 -4.463 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.512 -4.637 -4.499 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.919 -5.338 -6.069 1.00 0.00 H new ATOM 295 N GLY A 23 -6.209 1.661 -4.831 1.00 0.00 N ATOM 296 CA GLY A 23 -7.446 2.218 -4.309 1.00 0.00 C ATOM 297 C GLY A 23 -7.199 3.571 -3.640 1.00 0.00 C ATOM 298 O GLY A 23 -6.154 4.188 -3.845 1.00 0.00 O ATOM 0 H GLY A 23 -5.857 2.117 -5.673 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.166 2.335 -5.119 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.885 1.527 -3.589 1.00 0.00 H new ATOM 302 N GLY A 24 -8.177 3.994 -2.853 1.00 0.00 N ATOM 303 CA GLY A 24 -8.079 5.263 -2.152 1.00 0.00 C ATOM 304 C GLY A 24 -9.378 6.061 -2.278 1.00 0.00 C ATOM 305 O GLY A 24 -10.383 5.545 -2.765 1.00 0.00 O ATOM 0 H GLY A 24 -9.042 3.480 -2.685 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.858 5.085 -1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.251 5.844 -2.558 1.00 0.00 H new ATOM 309 N LYS A 25 -9.316 7.306 -1.829 1.00 0.00 N ATOM 310 CA LYS A 25 -10.475 8.180 -1.885 1.00 0.00 C ATOM 311 C LYS A 25 -10.748 8.566 -3.340 1.00 0.00 C ATOM 312 O LYS A 25 -11.883 8.479 -3.807 1.00 0.00 O ATOM 313 CB LYS A 25 -10.286 9.381 -0.956 1.00 0.00 C ATOM 314 CG LYS A 25 -11.569 9.678 -0.176 1.00 0.00 C ATOM 315 CD LYS A 25 -11.399 10.916 0.707 1.00 0.00 C ATOM 316 CE LYS A 25 -11.820 12.183 -0.039 1.00 0.00 C ATOM 317 NZ LYS A 25 -12.664 13.038 0.826 1.00 0.00 N ATOM 0 H LYS A 25 -8.481 7.730 -1.425 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.361 7.660 -1.521 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.471 9.182 -0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.000 10.256 -1.540 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.394 9.833 -0.871 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.830 8.819 0.442 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.997 10.807 1.612 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.359 11.003 1.021 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.936 12.736 -0.356 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.369 11.915 -0.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.941 13.894 0.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.517 12.513 1.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.128 13.309 1.675 1.00 0.00 H new ATOM 331 N ASP A 26 -9.688 8.983 -4.017 1.00 0.00 N ATOM 332 CA ASP A 26 -9.799 9.382 -5.410 1.00 0.00 C ATOM 333 C ASP A 26 -10.186 8.167 -6.255 1.00 0.00 C ATOM 334 O ASP A 26 -10.727 8.314 -7.349 1.00 0.00 O ATOM 335 CB ASP A 26 -8.467 9.920 -5.936 1.00 0.00 C ATOM 336 CG ASP A 26 -7.235 9.112 -5.522 1.00 0.00 C ATOM 337 OD1 ASP A 26 -7.277 8.543 -4.410 1.00 0.00 O ATOM 338 OD2 ASP A 26 -6.279 9.083 -6.327 1.00 0.00 O ATOM 0 H ASP A 26 -8.748 9.053 -3.627 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.556 10.164 -5.478 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.511 9.955 -7.025 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -8.344 10.946 -5.589 1.00 0.00 H new ATOM 343 N PHE A 27 -9.893 6.993 -5.714 1.00 0.00 N ATOM 344 CA PHE A 27 -10.203 5.753 -6.405 1.00 0.00 C ATOM 345 C PHE A 27 -11.630 5.294 -6.094 1.00 0.00 C ATOM 346 O PHE A 27 -12.217 4.524 -6.852 1.00 0.00 O ATOM 347 CB PHE A 27 -9.219 4.699 -5.895 1.00 0.00 C ATOM 348 CG PHE A 27 -7.843 4.759 -6.561 1.00 0.00 C ATOM 349 CD1 PHE A 27 -7.116 5.907 -6.518 1.00 0.00 C ATOM 350 CD2 PHE A 27 -7.346 3.664 -7.197 1.00 0.00 C ATOM 351 CE1 PHE A 27 -5.838 5.963 -7.136 1.00 0.00 C ATOM 352 CE2 PHE A 27 -6.069 3.719 -7.815 1.00 0.00 C ATOM 353 CZ PHE A 27 -5.342 4.868 -7.771 1.00 0.00 C ATOM 0 H PHE A 27 -9.444 6.875 -4.806 1.00 0.00 H new ATOM 0 HA PHE A 27 -10.123 5.897 -7.482 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -9.096 4.822 -4.819 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.647 3.709 -6.056 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.510 6.777 -6.014 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.923 2.752 -7.232 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.261 6.875 -7.101 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.675 2.849 -8.320 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.370 4.910 -8.241 1.00 0.00 H new ATOM 363 N ASN A 28 -12.145 5.788 -4.978 1.00 0.00 N ATOM 364 CA ASN A 28 -13.492 5.438 -4.557 1.00 0.00 C ATOM 365 C ASN A 28 -13.482 4.035 -3.946 1.00 0.00 C ATOM 366 O ASN A 28 -14.486 3.326 -3.997 1.00 0.00 O ATOM 367 CB ASN A 28 -14.455 5.430 -5.746 1.00 0.00 C ATOM 368 CG ASN A 28 -15.730 6.211 -5.423 1.00 0.00 C ATOM 369 OD1 ASN A 28 -15.758 7.077 -4.564 1.00 0.00 O ATOM 370 ND2 ASN A 28 -16.781 5.859 -6.158 1.00 0.00 N ATOM 0 H ASN A 28 -11.655 6.427 -4.352 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.823 6.180 -3.830 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -13.967 5.867 -6.617 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -14.709 4.402 -6.006 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -17.679 6.323 -6.019 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -16.689 5.126 -6.861 1.00 0.00 H new ATOM 377 N MET A 29 -12.338 3.677 -3.384 1.00 0.00 N ATOM 378 CA MET A 29 -12.185 2.372 -2.764 1.00 0.00 C ATOM 379 C MET A 29 -11.145 2.416 -1.642 1.00 0.00 C ATOM 380 O MET A 29 -10.373 3.369 -1.543 1.00 0.00 O ATOM 381 CB MET A 29 -11.753 1.353 -3.820 1.00 0.00 C ATOM 382 CG MET A 29 -10.228 1.275 -3.916 1.00 0.00 C ATOM 383 SD MET A 29 -9.755 0.288 -5.326 1.00 0.00 S ATOM 384 CE MET A 29 -9.149 -1.171 -4.494 1.00 0.00 C ATOM 0 H MET A 29 -11.508 4.268 -3.345 1.00 0.00 H new ATOM 0 HA MET A 29 -13.143 2.080 -2.334 1.00 0.00 H new ATOM 0 HB2 MET A 29 -12.156 0.372 -3.570 1.00 0.00 H new ATOM 0 HB3 MET A 29 -12.168 1.630 -4.789 1.00 0.00 H new ATOM 0 HG2 MET A 29 -9.809 2.277 -4.006 1.00 0.00 H new ATOM 0 HG3 MET A 29 -9.820 0.840 -3.004 1.00 0.00 H new ATOM 0 HE1 MET A 29 -8.794 -1.890 -5.232 1.00 0.00 H new ATOM 0 HE2 MET A 29 -8.329 -0.897 -3.831 1.00 0.00 H new ATOM 0 HE3 MET A 29 -9.954 -1.618 -3.910 1.00 0.00 H new ATOM 394 N PRO A 30 -11.160 1.346 -0.802 1.00 0.00 N ATOM 395 CA PRO A 30 -10.228 1.254 0.309 1.00 0.00 C ATOM 396 C PRO A 30 -8.824 0.895 -0.182 1.00 0.00 C ATOM 397 O PRO A 30 -8.669 0.269 -1.230 1.00 0.00 O ATOM 398 CB PRO A 30 -10.821 0.204 1.234 1.00 0.00 C ATOM 399 CG PRO A 30 -11.811 -0.583 0.390 1.00 0.00 C ATOM 400 CD PRO A 30 -12.060 0.200 -0.888 1.00 0.00 C ATOM 0 HA PRO A 30 -10.103 2.202 0.833 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.044 -0.448 1.634 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.317 0.669 2.086 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.415 -1.572 0.160 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.744 -0.731 0.935 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.848 -0.404 -1.770 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.100 0.518 -0.961 1.00 0.00 H new ATOM 408 N LEU A 31 -7.836 1.305 0.600 1.00 0.00 N ATOM 409 CA LEU A 31 -6.450 1.034 0.258 1.00 0.00 C ATOM 410 C LEU A 31 -6.135 -0.435 0.550 1.00 0.00 C ATOM 411 O LEU A 31 -6.005 -0.827 1.708 1.00 0.00 O ATOM 412 CB LEU A 31 -5.519 2.016 0.973 1.00 0.00 C ATOM 413 CG LEU A 31 -5.446 3.424 0.379 1.00 0.00 C ATOM 414 CD1 LEU A 31 -5.273 4.474 1.478 1.00 0.00 C ATOM 415 CD2 LEU A 31 -4.347 3.516 -0.680 1.00 0.00 C ATOM 0 H LEU A 31 -7.968 1.823 1.469 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.283 1.191 -0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.838 2.098 2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.514 1.594 0.980 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.392 3.634 -0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.224 5.466 1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.120 4.427 2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.352 4.278 2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.317 4.527 -1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.385 3.278 -0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.555 2.809 -1.483 1.00 0.00 H new ATOM 427 N THR A 32 -6.021 -1.207 -0.521 1.00 0.00 N ATOM 428 CA THR A 32 -5.724 -2.623 -0.395 1.00 0.00 C ATOM 429 C THR A 32 -4.333 -2.928 -0.953 1.00 0.00 C ATOM 430 O THR A 32 -3.720 -2.081 -1.601 1.00 0.00 O ATOM 431 CB THR A 32 -6.842 -3.404 -1.088 1.00 0.00 C ATOM 432 OG1 THR A 32 -7.572 -2.409 -1.799 1.00 0.00 O ATOM 433 CG2 THR A 32 -7.859 -3.975 -0.097 1.00 0.00 C ATOM 0 H THR A 32 -6.129 -0.878 -1.480 1.00 0.00 H new ATOM 0 HA THR A 32 -5.694 -2.929 0.651 1.00 0.00 H new ATOM 0 HB THR A 32 -6.409 -4.216 -1.672 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.316 -2.829 -2.279 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.631 -4.520 -0.641 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.355 -4.652 0.593 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.317 -3.161 0.464 1.00 0.00 H new ATOM 441 N ILE A 33 -3.874 -4.141 -0.682 1.00 0.00 N ATOM 442 CA ILE A 33 -2.567 -4.569 -1.149 1.00 0.00 C ATOM 443 C ILE A 33 -2.657 -4.946 -2.629 1.00 0.00 C ATOM 444 O ILE A 33 -3.110 -6.038 -2.969 1.00 0.00 O ATOM 445 CB ILE A 33 -2.021 -5.689 -0.262 1.00 0.00 C ATOM 446 CG1 ILE A 33 -1.882 -5.222 1.189 1.00 0.00 C ATOM 447 CG2 ILE A 33 -0.703 -6.235 -0.816 1.00 0.00 C ATOM 448 CD1 ILE A 33 -0.917 -4.039 1.294 1.00 0.00 C ATOM 0 H ILE A 33 -4.385 -4.841 -0.144 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.849 -3.753 -1.070 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.738 -6.510 -0.269 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.859 -4.935 1.577 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.523 -6.045 1.807 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.337 -7.030 -0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.866 -6.631 -1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.034 -5.433 -0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.836 -3.727 2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.065 -4.337 0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.292 -3.209 0.694 1.00 0.00 H new ATOM 460 N SER A 34 -2.218 -4.021 -3.470 1.00 0.00 N ATOM 461 CA SER A 34 -2.243 -4.242 -4.906 1.00 0.00 C ATOM 462 C SER A 34 -1.667 -5.621 -5.233 1.00 0.00 C ATOM 463 O SER A 34 -2.363 -6.476 -5.779 1.00 0.00 O ATOM 464 CB SER A 34 -1.465 -3.152 -5.645 1.00 0.00 C ATOM 465 OG SER A 34 -0.814 -3.657 -6.808 1.00 0.00 O ATOM 0 H SER A 34 -1.843 -3.117 -3.184 1.00 0.00 H new ATOM 0 HA SER A 34 -3.280 -4.200 -5.241 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.146 -2.350 -5.930 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.724 -2.717 -4.974 1.00 0.00 H new ATOM 0 HG SER A 34 -0.329 -2.931 -7.253 1.00 0.00 H new ATOM 471 N SER A 35 -0.400 -5.795 -4.886 1.00 0.00 N ATOM 472 CA SER A 35 0.278 -7.056 -5.136 1.00 0.00 C ATOM 473 C SER A 35 1.356 -7.290 -4.075 1.00 0.00 C ATOM 474 O SER A 35 1.603 -6.426 -3.235 1.00 0.00 O ATOM 475 CB SER A 35 0.896 -7.081 -6.535 1.00 0.00 C ATOM 476 OG SER A 35 0.206 -7.973 -7.407 1.00 0.00 O ATOM 0 H SER A 35 0.175 -5.084 -4.434 1.00 0.00 H new ATOM 0 HA SER A 35 -0.459 -7.857 -5.079 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.879 -6.076 -6.957 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.942 -7.380 -6.464 1.00 0.00 H new ATOM 0 HG SER A 35 0.629 -7.959 -8.291 1.00 0.00 H new ATOM 482 N LEU A 36 1.969 -8.462 -4.149 1.00 0.00 N ATOM 483 CA LEU A 36 3.015 -8.820 -3.206 1.00 0.00 C ATOM 484 C LEU A 36 4.310 -9.102 -3.970 1.00 0.00 C ATOM 485 O LEU A 36 4.298 -9.230 -5.194 1.00 0.00 O ATOM 486 CB LEU A 36 2.561 -9.978 -2.316 1.00 0.00 C ATOM 487 CG LEU A 36 2.464 -9.677 -0.819 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.830 -9.811 -0.144 1.00 0.00 C ATOM 489 CD2 LEU A 36 1.837 -8.303 -0.576 1.00 0.00 C ATOM 0 H LEU A 36 1.761 -9.176 -4.847 1.00 0.00 H new ATOM 0 HA LEU A 36 3.218 -7.990 -2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.584 -10.315 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.252 -10.809 -2.455 1.00 0.00 H new ATOM 0 HG LEU A 36 1.806 -10.417 -0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.733 -9.592 0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.201 -10.828 -0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.530 -9.109 -0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.780 -8.114 0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.450 -7.535 -1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.834 -8.280 -1.003 1.00 0.00 H new ATOM 501 N LYS A 37 5.396 -9.192 -3.217 1.00 0.00 N ATOM 502 CA LYS A 37 6.697 -9.458 -3.809 1.00 0.00 C ATOM 503 C LYS A 37 7.190 -10.832 -3.351 1.00 0.00 C ATOM 504 O LYS A 37 7.032 -11.196 -2.186 1.00 0.00 O ATOM 505 CB LYS A 37 7.670 -8.320 -3.495 1.00 0.00 C ATOM 506 CG LYS A 37 9.064 -8.621 -4.051 1.00 0.00 C ATOM 507 CD LYS A 37 10.050 -7.508 -3.692 1.00 0.00 C ATOM 508 CE LYS A 37 11.466 -8.062 -3.529 1.00 0.00 C ATOM 509 NZ LYS A 37 12.102 -7.510 -2.311 1.00 0.00 N ATOM 0 H LYS A 37 5.402 -9.086 -2.203 1.00 0.00 H new ATOM 0 HA LYS A 37 6.621 -9.492 -4.896 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.297 -7.389 -3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.729 -8.174 -2.416 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.421 -9.571 -3.652 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.012 -8.730 -5.134 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.042 -6.745 -4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.736 -7.024 -2.767 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.432 -9.150 -3.468 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.064 -7.810 -4.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.050 -7.153 -2.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.522 -6.731 -1.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.181 -8.257 -1.592 1.00 0.00 H new ATOM 523 N ASP A 38 7.777 -11.558 -4.291 1.00 0.00 N ATOM 524 CA ASP A 38 8.294 -12.884 -3.998 1.00 0.00 C ATOM 525 C ASP A 38 9.217 -12.810 -2.780 1.00 0.00 C ATOM 526 O ASP A 38 10.221 -12.099 -2.800 1.00 0.00 O ATOM 527 CB ASP A 38 9.106 -13.431 -5.174 1.00 0.00 C ATOM 528 CG ASP A 38 8.326 -14.331 -6.135 1.00 0.00 C ATOM 529 OD1 ASP A 38 7.362 -14.969 -5.659 1.00 0.00 O ATOM 530 OD2 ASP A 38 8.713 -14.361 -7.324 1.00 0.00 O ATOM 0 H ASP A 38 7.906 -11.253 -5.256 1.00 0.00 H new ATOM 0 HA ASP A 38 7.446 -13.542 -3.808 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.514 -12.591 -5.737 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.953 -13.993 -4.781 1.00 0.00 H new ATOM 535 N GLY A 39 8.844 -13.553 -1.749 1.00 0.00 N ATOM 536 CA GLY A 39 9.626 -13.581 -0.525 1.00 0.00 C ATOM 537 C GLY A 39 10.062 -12.171 -0.121 1.00 0.00 C ATOM 538 O GLY A 39 11.246 -11.923 0.101 1.00 0.00 O ATOM 0 H GLY A 39 8.010 -14.140 -1.736 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.038 -14.027 0.277 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.504 -14.211 -0.665 1.00 0.00 H new ATOM 542 N GLY A 40 9.082 -11.284 -0.038 1.00 0.00 N ATOM 543 CA GLY A 40 9.349 -9.905 0.335 1.00 0.00 C ATOM 544 C GLY A 40 8.934 -9.638 1.783 1.00 0.00 C ATOM 545 O GLY A 40 8.184 -10.416 2.371 1.00 0.00 O ATOM 0 H GLY A 40 8.101 -11.493 -0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.411 -9.690 0.212 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.808 -9.233 -0.332 1.00 0.00 H new ATOM 549 N LYS A 41 9.439 -8.536 2.316 1.00 0.00 N ATOM 550 CA LYS A 41 9.129 -8.157 3.685 1.00 0.00 C ATOM 551 C LYS A 41 7.633 -8.353 3.938 1.00 0.00 C ATOM 552 O LYS A 41 7.244 -9.083 4.847 1.00 0.00 O ATOM 553 CB LYS A 41 9.621 -6.736 3.971 1.00 0.00 C ATOM 554 CG LYS A 41 11.149 -6.686 4.032 1.00 0.00 C ATOM 555 CD LYS A 41 11.729 -6.079 2.754 1.00 0.00 C ATOM 556 CE LYS A 41 12.633 -7.081 2.032 1.00 0.00 C ATOM 557 NZ LYS A 41 12.456 -6.976 0.567 1.00 0.00 N ATOM 0 H LYS A 41 10.061 -7.893 1.826 1.00 0.00 H new ATOM 0 HA LYS A 41 9.658 -8.801 4.388 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.262 -6.060 3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.204 -6.386 4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.463 -6.097 4.894 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.544 -7.692 4.173 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.919 -5.773 2.092 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.297 -5.182 2.999 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.675 -6.894 2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.399 -8.094 2.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.076 -7.663 0.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.466 -7.177 0.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.701 -6.015 0.256 1.00 0.00 H new ATOM 571 N ALA A 42 6.835 -7.687 3.116 1.00 0.00 N ATOM 572 CA ALA A 42 5.390 -7.779 3.240 1.00 0.00 C ATOM 573 C ALA A 42 4.994 -9.237 3.477 1.00 0.00 C ATOM 574 O ALA A 42 4.513 -9.586 4.554 1.00 0.00 O ATOM 575 CB ALA A 42 4.732 -7.193 1.989 1.00 0.00 C ATOM 0 H ALA A 42 7.161 -7.082 2.362 1.00 0.00 H new ATOM 0 HA ALA A 42 5.041 -7.200 4.095 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.648 -7.262 2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.021 -6.148 1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.057 -7.752 1.111 1.00 0.00 H new ATOM 581 N SER A 43 5.211 -10.050 2.454 1.00 0.00 N ATOM 582 CA SER A 43 4.883 -11.463 2.538 1.00 0.00 C ATOM 583 C SER A 43 5.421 -12.049 3.845 1.00 0.00 C ATOM 584 O SER A 43 4.702 -12.743 4.561 1.00 0.00 O ATOM 585 CB SER A 43 5.447 -12.232 1.341 1.00 0.00 C ATOM 586 OG SER A 43 6.843 -12.484 1.478 1.00 0.00 O ATOM 0 H SER A 43 5.610 -9.757 1.562 1.00 0.00 H new ATOM 0 HA SER A 43 3.798 -11.563 2.522 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.916 -13.178 1.235 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.269 -11.663 0.428 1.00 0.00 H new ATOM 0 HG SER A 43 7.309 -11.644 1.673 1.00 0.00 H new ATOM 592 N GLN A 44 6.683 -11.747 4.117 1.00 0.00 N ATOM 593 CA GLN A 44 7.325 -12.234 5.325 1.00 0.00 C ATOM 594 C GLN A 44 6.555 -11.766 6.562 1.00 0.00 C ATOM 595 O GLN A 44 6.640 -12.386 7.621 1.00 0.00 O ATOM 596 CB GLN A 44 8.787 -11.786 5.388 1.00 0.00 C ATOM 597 CG GLN A 44 9.642 -12.565 4.386 1.00 0.00 C ATOM 598 CD GLN A 44 11.058 -11.989 4.310 1.00 0.00 C ATOM 599 OE1 GLN A 44 11.276 -10.793 4.411 1.00 0.00 O ATOM 600 NE2 GLN A 44 12.005 -12.905 4.127 1.00 0.00 N ATOM 0 H GLN A 44 7.277 -11.171 3.521 1.00 0.00 H new ATOM 0 HA GLN A 44 7.313 -13.324 5.305 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.854 -10.719 5.176 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.174 -11.936 6.396 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.687 -13.614 4.679 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.177 -12.529 3.401 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.753 -13.891 4.051 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.983 -12.622 4.063 1.00 0.00 H new ATOM 609 N ALA A 45 5.821 -10.677 6.385 1.00 0.00 N ATOM 610 CA ALA A 45 5.037 -10.119 7.474 1.00 0.00 C ATOM 611 C ALA A 45 3.604 -10.648 7.387 1.00 0.00 C ATOM 612 O ALA A 45 2.669 -9.996 7.850 1.00 0.00 O ATOM 613 CB ALA A 45 5.099 -8.592 7.417 1.00 0.00 C ATOM 0 H ALA A 45 5.753 -10.167 5.505 1.00 0.00 H new ATOM 0 HA ALA A 45 5.444 -10.426 8.437 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.511 -8.173 8.234 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.135 -8.266 7.511 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.695 -8.247 6.465 1.00 0.00 H new ATOM 619 N HIS A 46 3.476 -11.824 6.790 1.00 0.00 N ATOM 620 CA HIS A 46 2.173 -12.447 6.636 1.00 0.00 C ATOM 621 C HIS A 46 1.179 -11.428 6.077 1.00 0.00 C ATOM 622 O HIS A 46 0.101 -11.233 6.638 1.00 0.00 O ATOM 623 CB HIS A 46 1.707 -13.066 7.956 1.00 0.00 C ATOM 624 CG HIS A 46 2.437 -14.334 8.330 1.00 0.00 C ATOM 625 ND1 HIS A 46 1.798 -15.553 8.472 1.00 0.00 N ATOM 626 CD2 HIS A 46 3.757 -14.559 8.589 1.00 0.00 C ATOM 627 CE1 HIS A 46 2.702 -16.464 8.803 1.00 0.00 C ATOM 628 NE2 HIS A 46 3.916 -15.846 8.875 1.00 0.00 N ATOM 0 H HIS A 46 4.254 -12.362 6.407 1.00 0.00 H new ATOM 0 HA HIS A 46 2.241 -13.267 5.921 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.837 -12.335 8.754 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.640 -13.279 7.889 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.541 -13.816 8.565 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.511 -17.511 8.984 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.800 -16.298 9.110 1.00 0.00 H new ATOM 636 N VAL A 47 1.576 -10.803 4.978 1.00 0.00 N ATOM 637 CA VAL A 47 0.733 -9.808 4.337 1.00 0.00 C ATOM 638 C VAL A 47 0.161 -10.389 3.042 1.00 0.00 C ATOM 639 O VAL A 47 0.830 -10.393 2.010 1.00 0.00 O ATOM 640 CB VAL A 47 1.524 -8.518 4.114 1.00 0.00 C ATOM 641 CG1 VAL A 47 0.650 -7.444 3.464 1.00 0.00 C ATOM 642 CG2 VAL A 47 2.129 -8.012 5.426 1.00 0.00 C ATOM 0 H VAL A 47 2.470 -10.966 4.515 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.110 -9.551 4.979 1.00 0.00 H new ATOM 0 HB VAL A 47 2.343 -8.742 3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.237 -6.537 3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.289 -7.803 2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.199 -7.225 4.111 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.686 -7.094 5.240 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.331 -7.813 6.142 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.801 -8.768 5.832 1.00 0.00 H new ATOM 652 N ARG A 48 -1.072 -10.866 3.139 1.00 0.00 N ATOM 653 CA ARG A 48 -1.742 -11.448 1.989 1.00 0.00 C ATOM 654 C ARG A 48 -2.447 -10.358 1.178 1.00 0.00 C ATOM 655 O ARG A 48 -2.616 -9.237 1.654 1.00 0.00 O ATOM 656 CB ARG A 48 -2.768 -12.497 2.421 1.00 0.00 C ATOM 657 CG ARG A 48 -2.075 -13.757 2.945 1.00 0.00 C ATOM 658 CD ARG A 48 -0.960 -14.204 1.998 1.00 0.00 C ATOM 659 NE ARG A 48 0.338 -13.653 2.448 1.00 0.00 N ATOM 660 CZ ARG A 48 1.153 -14.266 3.317 1.00 0.00 C ATOM 661 NH1 ARG A 48 0.811 -15.453 3.834 1.00 0.00 N ATOM 662 NH2 ARG A 48 2.312 -13.691 3.668 1.00 0.00 N ATOM 0 H ARG A 48 -1.624 -10.861 3.997 1.00 0.00 H new ATOM 0 HA ARG A 48 -0.984 -11.931 1.373 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.413 -12.083 3.196 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.409 -12.754 1.577 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -1.661 -13.564 3.934 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.805 -14.558 3.056 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.912 -15.293 1.968 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.176 -13.867 0.984 1.00 0.00 H new ATOM 0 HE ARG A 48 0.630 -12.750 2.073 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.070 -15.891 3.566 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.432 -15.919 4.495 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.573 -12.787 3.274 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.933 -14.157 4.330 1.00 0.00 H new ATOM 676 N ILE A 49 -2.840 -10.727 -0.032 1.00 0.00 N ATOM 677 CA ILE A 49 -3.524 -9.795 -0.913 1.00 0.00 C ATOM 678 C ILE A 49 -4.979 -9.649 -0.463 1.00 0.00 C ATOM 679 O ILE A 49 -5.651 -10.642 -0.190 1.00 0.00 O ATOM 680 CB ILE A 49 -3.372 -10.228 -2.373 1.00 0.00 C ATOM 681 CG1 ILE A 49 -1.922 -10.086 -2.839 1.00 0.00 C ATOM 682 CG2 ILE A 49 -4.342 -9.464 -3.275 1.00 0.00 C ATOM 683 CD1 ILE A 49 -1.848 -9.930 -4.359 1.00 0.00 C ATOM 0 H ILE A 49 -2.698 -11.658 -0.423 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.069 -8.806 -0.849 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.631 -11.284 -2.445 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.465 -9.221 -2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.350 -10.961 -2.531 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.213 -9.791 -4.307 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.366 -9.661 -2.957 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.139 -8.395 -3.205 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.806 -9.831 -4.664 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.284 -10.807 -4.836 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.401 -9.040 -4.661 1.00 0.00 H new ATOM 695 N GLY A 50 -5.422 -8.402 -0.400 1.00 0.00 N ATOM 696 CA GLY A 50 -6.785 -8.112 0.012 1.00 0.00 C ATOM 697 C GLY A 50 -6.806 -7.339 1.333 1.00 0.00 C ATOM 698 O GLY A 50 -7.837 -6.790 1.718 1.00 0.00 O ATOM 0 H GLY A 50 -4.861 -7.581 -0.627 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.287 -7.531 -0.762 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.341 -9.043 0.122 1.00 0.00 H new ATOM 702 N ASP A 51 -5.655 -7.322 1.990 1.00 0.00 N ATOM 703 CA ASP A 51 -5.529 -6.626 3.259 1.00 0.00 C ATOM 704 C ASP A 51 -5.932 -5.161 3.075 1.00 0.00 C ATOM 705 O ASP A 51 -5.750 -4.594 1.998 1.00 0.00 O ATOM 706 CB ASP A 51 -4.085 -6.658 3.763 1.00 0.00 C ATOM 707 CG ASP A 51 -3.552 -5.323 4.287 1.00 0.00 C ATOM 708 OD1 ASP A 51 -4.199 -4.775 5.206 1.00 0.00 O ATOM 709 OD2 ASP A 51 -2.511 -4.880 3.756 1.00 0.00 O ATOM 0 H ASP A 51 -4.802 -7.779 1.667 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.175 -7.124 3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.010 -7.399 4.559 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.440 -6.996 2.951 1.00 0.00 H new ATOM 714 N VAL A 52 -6.473 -4.591 4.142 1.00 0.00 N ATOM 715 CA VAL A 52 -6.903 -3.204 4.111 1.00 0.00 C ATOM 716 C VAL A 52 -6.092 -2.400 5.130 1.00 0.00 C ATOM 717 O VAL A 52 -6.195 -2.632 6.333 1.00 0.00 O ATOM 718 CB VAL A 52 -8.412 -3.119 4.348 1.00 0.00 C ATOM 719 CG1 VAL A 52 -8.867 -1.663 4.474 1.00 0.00 C ATOM 720 CG2 VAL A 52 -9.183 -3.840 3.240 1.00 0.00 C ATOM 0 H VAL A 52 -6.623 -5.065 5.033 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.716 -2.768 3.130 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.631 -3.621 5.290 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.944 -1.631 4.642 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.355 -1.193 5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.627 -1.126 3.556 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.253 -3.764 3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.954 -3.380 2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.892 -4.890 3.218 1.00 0.00 H new ATOM 730 N VAL A 53 -5.303 -1.471 4.610 1.00 0.00 N ATOM 731 CA VAL A 53 -4.475 -0.632 5.459 1.00 0.00 C ATOM 732 C VAL A 53 -5.365 0.359 6.213 1.00 0.00 C ATOM 733 O VAL A 53 -5.778 1.375 5.657 1.00 0.00 O ATOM 734 CB VAL A 53 -3.394 0.054 4.621 1.00 0.00 C ATOM 735 CG1 VAL A 53 -2.542 0.988 5.484 1.00 0.00 C ATOM 736 CG2 VAL A 53 -2.521 -0.977 3.902 1.00 0.00 C ATOM 0 H VAL A 53 -5.220 -1.281 3.611 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.957 -1.236 6.204 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.891 0.659 3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.781 1.463 4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.178 1.754 5.929 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.059 0.413 6.275 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.761 -0.463 3.314 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.037 -1.620 4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.142 -1.583 3.242 1.00 0.00 H new ATOM 746 N LEU A 54 -5.634 0.027 7.467 1.00 0.00 N ATOM 747 CA LEU A 54 -6.466 0.874 8.303 1.00 0.00 C ATOM 748 C LEU A 54 -5.724 2.179 8.600 1.00 0.00 C ATOM 749 O LEU A 54 -6.322 3.253 8.593 1.00 0.00 O ATOM 750 CB LEU A 54 -6.909 0.119 9.558 1.00 0.00 C ATOM 751 CG LEU A 54 -7.851 -1.065 9.332 1.00 0.00 C ATOM 752 CD1 LEU A 54 -7.983 -1.910 10.600 1.00 0.00 C ATOM 753 CD2 LEU A 54 -9.211 -0.593 8.813 1.00 0.00 C ATOM 0 H LEU A 54 -5.290 -0.817 7.924 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.384 1.141 7.779 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.019 -0.244 10.073 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.399 0.825 10.228 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.418 -1.704 8.563 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.658 -2.745 10.412 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.003 -2.293 10.886 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.382 -1.295 11.407 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.861 -1.454 8.661 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.665 0.080 9.541 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.077 -0.068 7.867 1.00 0.00 H new ATOM 765 N SER A 55 -4.431 2.041 8.854 1.00 0.00 N ATOM 766 CA SER A 55 -3.600 3.196 9.153 1.00 0.00 C ATOM 767 C SER A 55 -2.295 3.120 8.359 1.00 0.00 C ATOM 768 O SER A 55 -1.982 2.088 7.768 1.00 0.00 O ATOM 769 CB SER A 55 -3.305 3.289 10.651 1.00 0.00 C ATOM 770 OG SER A 55 -2.777 2.071 11.168 1.00 0.00 O ATOM 0 H SER A 55 -3.938 1.148 8.859 1.00 0.00 H new ATOM 0 HA SER A 55 -4.144 4.094 8.861 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.596 4.097 10.831 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.220 3.543 11.186 1.00 0.00 H new ATOM 0 HG SER A 55 -3.315 1.780 11.934 1.00 0.00 H new ATOM 776 N ILE A 56 -1.567 4.228 8.370 1.00 0.00 N ATOM 777 CA ILE A 56 -0.303 4.300 7.658 1.00 0.00 C ATOM 778 C ILE A 56 0.693 5.121 8.480 1.00 0.00 C ATOM 779 O ILE A 56 0.662 6.351 8.452 1.00 0.00 O ATOM 780 CB ILE A 56 -0.516 4.832 6.240 1.00 0.00 C ATOM 781 CG1 ILE A 56 -1.121 3.756 5.336 1.00 0.00 C ATOM 782 CG2 ILE A 56 0.784 5.399 5.665 1.00 0.00 C ATOM 783 CD1 ILE A 56 -1.540 4.345 3.987 1.00 0.00 C ATOM 0 H ILE A 56 -1.829 5.083 8.861 1.00 0.00 H new ATOM 0 HA ILE A 56 0.125 3.305 7.539 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.232 5.653 6.288 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.395 2.958 5.179 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.986 3.309 5.826 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.604 5.770 4.656 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.135 6.216 6.295 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.540 4.615 5.633 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.967 3.559 3.364 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.284 5.126 4.146 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.668 4.770 3.489 1.00 0.00 H new ATOM 795 N ASP A 57 1.555 4.408 9.191 1.00 0.00 N ATOM 796 CA ASP A 57 2.558 5.056 10.018 1.00 0.00 C ATOM 797 C ASP A 57 1.865 5.826 11.145 1.00 0.00 C ATOM 798 O ASP A 57 2.198 6.980 11.408 1.00 0.00 O ATOM 799 CB ASP A 57 3.385 6.052 9.203 1.00 0.00 C ATOM 800 CG ASP A 57 4.721 6.452 9.833 1.00 0.00 C ATOM 801 OD1 ASP A 57 4.938 6.060 11.000 1.00 0.00 O ATOM 802 OD2 ASP A 57 5.495 7.140 9.133 1.00 0.00 O ATOM 0 H ASP A 57 1.579 3.388 9.211 1.00 0.00 H new ATOM 0 HA ASP A 57 3.215 4.284 10.417 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.578 5.622 8.220 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.791 6.952 9.046 1.00 0.00 H new ATOM 807 N GLY A 58 0.915 5.155 11.779 1.00 0.00 N ATOM 808 CA GLY A 58 0.172 5.762 12.871 1.00 0.00 C ATOM 809 C GLY A 58 -0.756 6.864 12.356 1.00 0.00 C ATOM 810 O GLY A 58 -1.202 7.714 13.126 1.00 0.00 O ATOM 0 H GLY A 58 0.642 4.197 11.558 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.413 5.000 13.386 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.866 6.178 13.601 1.00 0.00 H new ATOM 814 N ILE A 59 -1.018 6.815 11.059 1.00 0.00 N ATOM 815 CA ILE A 59 -1.885 7.799 10.433 1.00 0.00 C ATOM 816 C ILE A 59 -3.147 7.106 9.915 1.00 0.00 C ATOM 817 O ILE A 59 -3.084 5.978 9.427 1.00 0.00 O ATOM 818 CB ILE A 59 -1.124 8.575 9.356 1.00 0.00 C ATOM 819 CG1 ILE A 59 0.218 9.081 9.889 1.00 0.00 C ATOM 820 CG2 ILE A 59 -1.980 9.710 8.789 1.00 0.00 C ATOM 821 CD1 ILE A 59 0.067 10.461 10.534 1.00 0.00 C ATOM 0 H ILE A 59 -0.645 6.109 10.424 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.206 8.542 11.163 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.907 7.893 8.534 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.612 8.375 10.620 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.940 9.133 9.074 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.415 10.245 8.026 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.886 9.296 8.347 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.249 10.398 9.590 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.035 10.797 10.905 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.305 11.170 9.794 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.638 10.400 11.363 1.00 0.00 H new ATOM 833 N SER A 60 -4.263 7.808 10.039 1.00 0.00 N ATOM 834 CA SER A 60 -5.537 7.274 9.590 1.00 0.00 C ATOM 835 C SER A 60 -5.588 7.257 8.061 1.00 0.00 C ATOM 836 O SER A 60 -5.517 8.306 7.423 1.00 0.00 O ATOM 837 CB SER A 60 -6.704 8.089 10.151 1.00 0.00 C ATOM 838 OG SER A 60 -7.499 7.329 11.057 1.00 0.00 O ATOM 0 H SER A 60 -4.312 8.743 10.444 1.00 0.00 H new ATOM 0 HA SER A 60 -5.630 6.253 9.961 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.318 8.972 10.660 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.328 8.442 9.330 1.00 0.00 H new ATOM 0 HG SER A 60 -8.232 7.885 11.394 1.00 0.00 H new ATOM 844 N ALA A 61 -5.710 6.055 7.518 1.00 0.00 N ATOM 845 CA ALA A 61 -5.771 5.888 6.076 1.00 0.00 C ATOM 846 C ALA A 61 -7.235 5.840 5.634 1.00 0.00 C ATOM 847 O ALA A 61 -7.571 5.169 4.659 1.00 0.00 O ATOM 848 CB ALA A 61 -4.999 4.629 5.675 1.00 0.00 C ATOM 0 H ALA A 61 -5.768 5.187 8.051 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.302 6.733 5.571 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.045 4.503 4.593 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.959 4.726 5.986 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.443 3.760 6.160 1.00 0.00 H new ATOM 854 N GLN A 62 -8.066 6.561 6.372 1.00 0.00 N ATOM 855 CA GLN A 62 -9.486 6.609 6.068 1.00 0.00 C ATOM 856 C GLN A 62 -9.762 7.652 4.983 1.00 0.00 C ATOM 857 O GLN A 62 -10.314 7.329 3.932 1.00 0.00 O ATOM 858 CB GLN A 62 -10.307 6.897 7.327 1.00 0.00 C ATOM 859 CG GLN A 62 -10.738 5.598 8.010 1.00 0.00 C ATOM 860 CD GLN A 62 -11.041 5.831 9.491 1.00 0.00 C ATOM 861 OE1 GLN A 62 -11.721 6.770 9.872 1.00 0.00 O ATOM 862 NE2 GLN A 62 -10.500 4.927 10.303 1.00 0.00 N ATOM 0 H GLN A 62 -7.783 7.117 7.179 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.790 5.632 5.691 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.718 7.498 8.020 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.187 7.484 7.065 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.622 5.198 7.513 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.950 4.851 7.910 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.941 4.165 9.918 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.644 4.995 11.310 1.00 0.00 H new ATOM 871 N GLY A 63 -9.365 8.882 5.276 1.00 0.00 N ATOM 872 CA GLY A 63 -9.563 9.974 4.338 1.00 0.00 C ATOM 873 C GLY A 63 -8.243 10.372 3.674 1.00 0.00 C ATOM 874 O GLY A 63 -7.844 11.534 3.723 1.00 0.00 O ATOM 0 H GLY A 63 -8.908 9.146 6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.283 9.677 3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.986 10.833 4.858 1.00 0.00 H new ATOM 878 N MET A 64 -7.602 9.384 3.067 1.00 0.00 N ATOM 879 CA MET A 64 -6.335 9.616 2.394 1.00 0.00 C ATOM 880 C MET A 64 -6.328 8.975 1.005 1.00 0.00 C ATOM 881 O MET A 64 -6.776 7.841 0.837 1.00 0.00 O ATOM 882 CB MET A 64 -5.197 9.031 3.232 1.00 0.00 C ATOM 883 CG MET A 64 -4.916 9.901 4.459 1.00 0.00 C ATOM 884 SD MET A 64 -3.163 9.938 4.793 1.00 0.00 S ATOM 885 CE MET A 64 -2.927 8.274 5.395 1.00 0.00 C ATOM 0 H MET A 64 -7.936 8.421 3.027 1.00 0.00 H new ATOM 0 HA MET A 64 -6.197 10.691 2.279 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.457 8.021 3.550 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.296 8.952 2.624 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.284 10.913 4.289 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.451 9.508 5.324 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.862 8.079 5.517 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.429 8.160 6.356 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.346 7.566 4.680 1.00 0.00 H new ATOM 895 N THR A 65 -5.814 9.728 0.043 1.00 0.00 N ATOM 896 CA THR A 65 -5.742 9.247 -1.326 1.00 0.00 C ATOM 897 C THR A 65 -4.485 8.399 -1.528 1.00 0.00 C ATOM 898 O THR A 65 -3.537 8.491 -0.750 1.00 0.00 O ATOM 899 CB THR A 65 -5.812 10.460 -2.257 1.00 0.00 C ATOM 900 OG1 THR A 65 -4.797 11.332 -1.768 1.00 0.00 O ATOM 901 CG2 THR A 65 -7.106 11.258 -2.081 1.00 0.00 C ATOM 0 H THR A 65 -5.444 10.668 0.185 1.00 0.00 H new ATOM 0 HA THR A 65 -6.580 8.590 -1.559 1.00 0.00 H new ATOM 0 HB THR A 65 -5.727 10.129 -3.292 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.058 12.262 -1.931 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.105 12.107 -2.764 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.961 10.618 -2.299 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.175 11.618 -1.054 1.00 0.00 H new ATOM 909 N HIS A 66 -4.519 7.590 -2.578 1.00 0.00 N ATOM 910 CA HIS A 66 -3.394 6.725 -2.892 1.00 0.00 C ATOM 911 C HIS A 66 -2.090 7.515 -2.771 1.00 0.00 C ATOM 912 O HIS A 66 -1.172 7.102 -2.065 1.00 0.00 O ATOM 913 CB HIS A 66 -3.572 6.081 -4.268 1.00 0.00 C ATOM 914 CG HIS A 66 -2.839 4.771 -4.433 1.00 0.00 C ATOM 915 ND1 HIS A 66 -2.342 4.338 -5.650 1.00 0.00 N ATOM 916 CD2 HIS A 66 -2.524 3.806 -3.522 1.00 0.00 C ATOM 917 CE1 HIS A 66 -1.757 3.163 -5.468 1.00 0.00 C ATOM 918 NE2 HIS A 66 -1.872 2.835 -4.149 1.00 0.00 N ATOM 0 H HIS A 66 -5.307 7.516 -3.221 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.349 5.905 -2.175 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -4.635 5.916 -4.446 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -3.226 6.778 -5.031 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -2.414 4.838 -6.536 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.764 3.828 -2.469 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -1.274 2.569 -6.230 1.00 0.00 H new ATOM 926 N LEU A 67 -2.049 8.639 -3.473 1.00 0.00 N ATOM 927 CA LEU A 67 -0.872 9.491 -3.453 1.00 0.00 C ATOM 928 C LEU A 67 -0.502 9.810 -2.003 1.00 0.00 C ATOM 929 O LEU A 67 0.599 9.492 -1.555 1.00 0.00 O ATOM 930 CB LEU A 67 -1.095 10.733 -4.318 1.00 0.00 C ATOM 931 CG LEU A 67 -0.117 11.888 -4.098 1.00 0.00 C ATOM 932 CD1 LEU A 67 1.328 11.431 -4.305 1.00 0.00 C ATOM 933 CD2 LEU A 67 -0.472 13.084 -4.984 1.00 0.00 C ATOM 0 H LEU A 67 -2.812 8.979 -4.059 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.020 8.973 -3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.045 10.436 -5.365 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.106 11.100 -4.138 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.205 12.217 -3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.002 12.272 -4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.563 10.635 -3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.450 11.060 -5.323 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.239 13.891 -4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.430 12.786 -6.032 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.478 13.428 -4.745 1.00 0.00 H new ATOM 945 N GLU A 68 -1.443 10.433 -1.310 1.00 0.00 N ATOM 946 CA GLU A 68 -1.230 10.799 0.080 1.00 0.00 C ATOM 947 C GLU A 68 -0.655 9.613 0.859 1.00 0.00 C ATOM 948 O GLU A 68 0.437 9.704 1.417 1.00 0.00 O ATOM 949 CB GLU A 68 -2.527 11.298 0.721 1.00 0.00 C ATOM 950 CG GLU A 68 -2.915 12.673 0.173 1.00 0.00 C ATOM 951 CD GLU A 68 -2.721 13.760 1.233 1.00 0.00 C ATOM 952 OE1 GLU A 68 -3.083 13.487 2.398 1.00 0.00 O ATOM 953 OE2 GLU A 68 -2.215 14.838 0.853 1.00 0.00 O ATOM 0 H GLU A 68 -2.355 10.694 -1.685 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.509 11.616 0.114 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.330 10.586 0.528 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.404 11.355 1.803 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.310 12.903 -0.704 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.955 12.659 -0.152 1.00 0.00 H new ATOM 960 N ALA A 69 -1.416 8.529 0.870 1.00 0.00 N ATOM 961 CA ALA A 69 -0.996 7.327 1.571 1.00 0.00 C ATOM 962 C ALA A 69 0.425 6.960 1.137 1.00 0.00 C ATOM 963 O ALA A 69 1.288 6.708 1.977 1.00 0.00 O ATOM 964 CB ALA A 69 -1.997 6.202 1.301 1.00 0.00 C ATOM 0 H ALA A 69 -2.321 8.457 0.405 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.979 7.496 2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.682 5.301 1.827 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.984 6.501 1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.039 6.002 0.230 1.00 0.00 H new ATOM 970 N GLN A 70 0.623 6.942 -0.172 1.00 0.00 N ATOM 971 CA GLN A 70 1.925 6.609 -0.727 1.00 0.00 C ATOM 972 C GLN A 70 2.997 7.542 -0.161 1.00 0.00 C ATOM 973 O GLN A 70 4.078 7.094 0.218 1.00 0.00 O ATOM 974 CB GLN A 70 1.900 6.667 -2.256 1.00 0.00 C ATOM 975 CG GLN A 70 1.197 5.440 -2.840 1.00 0.00 C ATOM 976 CD GLN A 70 2.189 4.298 -3.070 1.00 0.00 C ATOM 977 OE1 GLN A 70 2.938 3.905 -2.190 1.00 0.00 O ATOM 978 NE2 GLN A 70 2.154 3.790 -4.298 1.00 0.00 N ATOM 0 H GLN A 70 -0.095 7.152 -0.865 1.00 0.00 H new ATOM 0 HA GLN A 70 2.171 5.587 -0.439 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.388 7.573 -2.581 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.919 6.723 -2.638 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.409 5.111 -2.163 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.717 5.705 -3.782 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.502 4.166 -4.987 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.779 3.024 -4.551 1.00 0.00 H new ATOM 987 N ASN A 71 2.661 8.823 -0.121 1.00 0.00 N ATOM 988 CA ASN A 71 3.581 9.823 0.393 1.00 0.00 C ATOM 989 C ASN A 71 4.124 9.362 1.748 1.00 0.00 C ATOM 990 O ASN A 71 5.336 9.292 1.943 1.00 0.00 O ATOM 991 CB ASN A 71 2.878 11.166 0.598 1.00 0.00 C ATOM 992 CG ASN A 71 3.519 12.257 -0.262 1.00 0.00 C ATOM 993 OD1 ASN A 71 4.637 12.687 -0.032 1.00 0.00 O ATOM 994 ND2 ASN A 71 2.750 12.680 -1.261 1.00 0.00 N ATOM 0 H ASN A 71 1.764 9.191 -0.436 1.00 0.00 H new ATOM 0 HA ASN A 71 4.386 9.945 -0.332 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.822 11.071 0.344 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.928 11.450 1.649 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.087 13.408 -1.891 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.823 12.277 -1.397 1.00 0.00 H new ATOM 1001 N LYS A 72 3.199 9.060 2.647 1.00 0.00 N ATOM 1002 CA LYS A 72 3.570 8.608 3.978 1.00 0.00 C ATOM 1003 C LYS A 72 4.563 7.450 3.860 1.00 0.00 C ATOM 1004 O LYS A 72 5.676 7.527 4.377 1.00 0.00 O ATOM 1005 CB LYS A 72 2.322 8.266 4.794 1.00 0.00 C ATOM 1006 CG LYS A 72 1.691 9.529 5.385 1.00 0.00 C ATOM 1007 CD LYS A 72 2.518 10.057 6.559 1.00 0.00 C ATOM 1008 CE LYS A 72 1.700 11.027 7.414 1.00 0.00 C ATOM 1009 NZ LYS A 72 1.480 12.298 6.688 1.00 0.00 N ATOM 0 H LYS A 72 2.194 9.119 2.481 1.00 0.00 H new ATOM 0 HA LYS A 72 4.073 9.406 4.525 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.597 7.755 4.160 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.585 7.577 5.596 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.615 10.296 4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.677 9.311 5.719 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.858 9.223 7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.409 10.560 6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.741 10.576 7.669 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.220 11.222 8.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.923 12.945 7.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.398 12.734 6.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.964 12.109 5.805 1.00 0.00 H new ATOM 1023 N ILE A 73 4.125 6.403 3.176 1.00 0.00 N ATOM 1024 CA ILE A 73 4.961 5.231 2.984 1.00 0.00 C ATOM 1025 C ILE A 73 6.353 5.672 2.526 1.00 0.00 C ATOM 1026 O ILE A 73 7.360 5.122 2.970 1.00 0.00 O ATOM 1027 CB ILE A 73 4.286 4.241 2.033 1.00 0.00 C ATOM 1028 CG1 ILE A 73 3.022 3.651 2.662 1.00 0.00 C ATOM 1029 CG2 ILE A 73 5.266 3.153 1.588 1.00 0.00 C ATOM 1030 CD1 ILE A 73 1.897 3.539 1.631 1.00 0.00 C ATOM 0 H ILE A 73 3.201 6.342 2.748 1.00 0.00 H new ATOM 0 HA ILE A 73 5.089 4.696 3.925 1.00 0.00 H new ATOM 0 HB ILE A 73 3.978 4.783 1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.242 2.666 3.074 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.698 4.278 3.492 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.761 2.462 0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.110 3.612 1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.626 2.609 2.461 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.010 3.117 2.104 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.663 4.529 1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.215 2.891 0.814 1.00 0.00 H new ATOM 1042 N LYS A 74 6.364 6.661 1.644 1.00 0.00 N ATOM 1043 CA LYS A 74 7.616 7.182 1.121 1.00 0.00 C ATOM 1044 C LYS A 74 8.419 7.810 2.263 1.00 0.00 C ATOM 1045 O LYS A 74 9.635 7.645 2.334 1.00 0.00 O ATOM 1046 CB LYS A 74 7.352 8.139 -0.044 1.00 0.00 C ATOM 1047 CG LYS A 74 7.332 7.387 -1.376 1.00 0.00 C ATOM 1048 CD LYS A 74 7.361 8.361 -2.556 1.00 0.00 C ATOM 1049 CE LYS A 74 6.762 7.722 -3.810 1.00 0.00 C ATOM 1050 NZ LYS A 74 5.341 8.107 -3.960 1.00 0.00 N ATOM 0 H LYS A 74 5.527 7.115 1.279 1.00 0.00 H new ATOM 0 HA LYS A 74 8.223 6.375 0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.399 8.646 0.106 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.123 8.909 -0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.190 6.717 -1.432 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.438 6.766 -1.434 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.804 9.263 -2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.388 8.667 -2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.325 8.036 -4.689 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.846 6.637 -3.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.950 7.665 -4.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.805 7.786 -3.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.268 9.141 -4.041 1.00 0.00 H new ATOM 1064 N ALA A 75 7.705 8.516 3.127 1.00 0.00 N ATOM 1065 CA ALA A 75 8.335 9.169 4.262 1.00 0.00 C ATOM 1066 C ALA A 75 9.094 8.127 5.087 1.00 0.00 C ATOM 1067 O ALA A 75 10.187 8.397 5.581 1.00 0.00 O ATOM 1068 CB ALA A 75 7.274 9.903 5.083 1.00 0.00 C ATOM 0 H ALA A 75 6.696 8.650 3.064 1.00 0.00 H new ATOM 0 HA ALA A 75 9.057 9.913 3.925 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.747 10.393 5.934 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.785 10.652 4.460 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.533 9.189 5.441 1.00 0.00 H new ATOM 1074 N CYS A 76 8.482 6.958 5.212 1.00 0.00 N ATOM 1075 CA CYS A 76 9.086 5.875 5.969 1.00 0.00 C ATOM 1076 C CYS A 76 10.354 5.427 5.239 1.00 0.00 C ATOM 1077 O CYS A 76 10.280 4.835 4.164 1.00 0.00 O ATOM 1078 CB CYS A 76 8.108 4.717 6.176 1.00 0.00 C ATOM 1079 SG CYS A 76 7.194 4.943 7.746 1.00 0.00 S ATOM 0 H CYS A 76 7.574 6.738 4.802 1.00 0.00 H new ATOM 0 HA CYS A 76 9.348 6.227 6.967 1.00 0.00 H new ATOM 0 HB2 CYS A 76 7.408 4.668 5.342 1.00 0.00 H new ATOM 0 HB3 CYS A 76 8.650 3.771 6.194 1.00 0.00 H new ATOM 0 HG CYS A 76 7.648 4.111 8.636 1.00 0.00 H new ATOM 1085 N THR A 77 11.489 5.727 5.854 1.00 0.00 N ATOM 1086 CA THR A 77 12.772 5.363 5.276 1.00 0.00 C ATOM 1087 C THR A 77 13.391 4.195 6.046 1.00 0.00 C ATOM 1088 O THR A 77 14.129 3.393 5.476 1.00 0.00 O ATOM 1089 CB THR A 77 13.653 6.613 5.257 1.00 0.00 C ATOM 1090 OG1 THR A 77 14.865 6.175 4.649 1.00 0.00 O ATOM 1091 CG2 THR A 77 14.078 7.052 6.660 1.00 0.00 C ATOM 0 H THR A 77 11.547 6.218 6.746 1.00 0.00 H new ATOM 0 HA THR A 77 12.659 5.012 4.250 1.00 0.00 H new ATOM 0 HB THR A 77 13.117 7.427 4.769 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.494 6.925 4.595 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.701 7.943 6.589 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.193 7.275 7.255 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.643 6.251 7.136 1.00 0.00 H new ATOM 1099 N GLY A 78 13.066 4.135 7.329 1.00 0.00 N ATOM 1100 CA GLY A 78 13.581 3.078 8.183 1.00 0.00 C ATOM 1101 C GLY A 78 12.696 1.833 8.109 1.00 0.00 C ATOM 1102 O GLY A 78 13.105 0.808 7.566 1.00 0.00 O ATOM 0 H GLY A 78 12.452 4.801 7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.597 2.825 7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.633 3.431 9.213 1.00 0.00 H new ATOM 1106 N SER A 79 11.499 1.963 8.662 1.00 0.00 N ATOM 1107 CA SER A 79 10.552 0.861 8.665 1.00 0.00 C ATOM 1108 C SER A 79 9.142 1.382 8.382 1.00 0.00 C ATOM 1109 O SER A 79 8.886 2.581 8.487 1.00 0.00 O ATOM 1110 CB SER A 79 10.583 0.112 9.999 1.00 0.00 C ATOM 1111 OG SER A 79 10.810 0.989 11.099 1.00 0.00 O ATOM 0 H SER A 79 11.163 2.815 9.111 1.00 0.00 H new ATOM 0 HA SER A 79 10.839 0.162 7.880 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.638 -0.412 10.142 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.367 -0.645 9.971 1.00 0.00 H new ATOM 0 HG SER A 79 10.821 0.473 11.932 1.00 0.00 H new ATOM 1117 N LEU A 80 8.263 0.456 8.027 1.00 0.00 N ATOM 1118 CA LEU A 80 6.885 0.807 7.728 1.00 0.00 C ATOM 1119 C LEU A 80 5.971 0.234 8.812 1.00 0.00 C ATOM 1120 O LEU A 80 5.990 -0.968 9.074 1.00 0.00 O ATOM 1121 CB LEU A 80 6.515 0.361 6.312 1.00 0.00 C ATOM 1122 CG LEU A 80 5.350 1.107 5.658 1.00 0.00 C ATOM 1123 CD1 LEU A 80 5.736 2.550 5.331 1.00 0.00 C ATOM 1124 CD2 LEU A 80 4.842 0.357 4.424 1.00 0.00 C ATOM 0 H LEU A 80 8.479 -0.537 7.940 1.00 0.00 H new ATOM 0 HA LEU A 80 6.755 1.889 7.741 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.394 0.471 5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.272 -0.701 6.339 1.00 0.00 H new ATOM 0 HG LEU A 80 4.528 1.148 6.372 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.890 3.057 4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.012 3.070 6.249 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.582 2.554 4.644 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.014 0.908 3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.649 0.264 3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.501 -0.636 4.717 1.00 0.00 H new ATOM 1136 N ASN A 81 5.190 1.120 9.413 1.00 0.00 N ATOM 1137 CA ASN A 81 4.270 0.718 10.462 1.00 0.00 C ATOM 1138 C ASN A 81 2.839 1.049 10.035 1.00 0.00 C ATOM 1139 O ASN A 81 2.435 2.211 10.056 1.00 0.00 O ATOM 1140 CB ASN A 81 4.560 1.465 11.765 1.00 0.00 C ATOM 1141 CG ASN A 81 5.287 0.563 12.765 1.00 0.00 C ATOM 1142 OD1 ASN A 81 4.742 0.144 13.773 1.00 0.00 O ATOM 1143 ND2 ASN A 81 6.545 0.290 12.430 1.00 0.00 N ATOM 0 H ASN A 81 5.176 2.116 9.193 1.00 0.00 H new ATOM 0 HA ASN A 81 4.393 -0.353 10.625 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.167 2.346 11.556 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.626 1.818 12.201 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.116 -0.303 13.032 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.939 0.674 11.571 1.00 0.00 H new ATOM 1150 N MET A 82 2.112 0.009 9.657 1.00 0.00 N ATOM 1151 CA MET A 82 0.734 0.175 9.225 1.00 0.00 C ATOM 1152 C MET A 82 -0.156 -0.933 9.792 1.00 0.00 C ATOM 1153 O MET A 82 0.299 -2.058 9.991 1.00 0.00 O ATOM 1154 CB MET A 82 0.671 0.149 7.697 1.00 0.00 C ATOM 1155 CG MET A 82 1.733 1.068 7.089 1.00 0.00 C ATOM 1156 SD MET A 82 1.510 1.172 5.321 1.00 0.00 S ATOM 1157 CE MET A 82 1.714 -0.546 4.881 1.00 0.00 C ATOM 0 H MET A 82 2.451 -0.953 9.641 1.00 0.00 H new ATOM 0 HA MET A 82 0.370 1.133 9.596 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.820 -0.870 7.341 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.319 0.462 7.365 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.663 2.062 7.532 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.729 0.687 7.317 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.976 -0.623 3.826 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.508 -0.985 5.485 1.00 0.00 H new ATOM 0 HE3 MET A 82 0.782 -1.081 5.063 1.00 0.00 H new ATOM 1167 N THR A 83 -1.408 -0.575 10.036 1.00 0.00 N ATOM 1168 CA THR A 83 -2.366 -1.526 10.575 1.00 0.00 C ATOM 1169 C THR A 83 -3.169 -2.173 9.446 1.00 0.00 C ATOM 1170 O THR A 83 -3.437 -1.538 8.427 1.00 0.00 O ATOM 1171 CB THR A 83 -3.237 -0.791 11.596 1.00 0.00 C ATOM 1172 OG1 THR A 83 -2.314 0.018 12.322 1.00 0.00 O ATOM 1173 CG2 THR A 83 -3.819 -1.731 12.654 1.00 0.00 C ATOM 0 H THR A 83 -1.781 0.360 9.871 1.00 0.00 H new ATOM 0 HA THR A 83 -1.863 -2.348 11.085 1.00 0.00 H new ATOM 0 HB THR A 83 -4.048 -0.279 11.079 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.036 0.776 11.766 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.429 -1.159 13.353 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.436 -2.487 12.169 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.007 -2.218 13.194 1.00 0.00 H new ATOM 1181 N LEU A 84 -3.531 -3.429 9.665 1.00 0.00 N ATOM 1182 CA LEU A 84 -4.298 -4.169 8.678 1.00 0.00 C ATOM 1183 C LEU A 84 -5.649 -4.563 9.279 1.00 0.00 C ATOM 1184 O LEU A 84 -5.828 -4.518 10.495 1.00 0.00 O ATOM 1185 CB LEU A 84 -3.490 -5.357 8.151 1.00 0.00 C ATOM 1186 CG LEU A 84 -1.992 -5.114 7.955 1.00 0.00 C ATOM 1187 CD1 LEU A 84 -1.236 -6.437 7.820 1.00 0.00 C ATOM 1188 CD2 LEU A 84 -1.738 -4.185 6.767 1.00 0.00 C ATOM 0 H LEU A 84 -3.307 -3.952 10.511 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.505 -3.543 7.810 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.615 -6.191 8.841 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.916 -5.666 7.196 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.608 -4.612 8.843 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.174 -6.236 7.682 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.379 -7.031 8.723 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.616 -6.987 6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.666 -4.029 6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.140 -4.636 5.860 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.227 -3.227 6.943 1.00 0.00 H new ATOM 1200 N GLN A 85 -6.565 -4.939 8.399 1.00 0.00 N ATOM 1201 CA GLN A 85 -7.895 -5.340 8.827 1.00 0.00 C ATOM 1202 C GLN A 85 -8.139 -6.813 8.492 1.00 0.00 C ATOM 1203 O GLN A 85 -7.698 -7.297 7.451 1.00 0.00 O ATOM 1204 CB GLN A 85 -8.966 -4.449 8.196 1.00 0.00 C ATOM 1205 CG GLN A 85 -10.362 -5.043 8.398 1.00 0.00 C ATOM 1206 CD GLN A 85 -11.447 -4.014 8.077 1.00 0.00 C ATOM 1207 OE1 GLN A 85 -12.002 -3.366 8.949 1.00 0.00 O ATOM 1208 NE2 GLN A 85 -11.718 -3.900 6.780 1.00 0.00 N ATOM 0 H GLN A 85 -6.413 -4.975 7.391 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.960 -5.218 9.908 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.923 -3.454 8.638 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.767 -4.333 7.131 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.485 -5.918 7.759 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.471 -5.383 9.428 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.216 -4.473 6.102 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.428 -3.239 6.463 1.00 0.00 H new ATOM 1217 N ARG A 86 -8.840 -7.484 9.393 1.00 0.00 N ATOM 1218 CA ARG A 86 -9.148 -8.891 9.206 1.00 0.00 C ATOM 1219 C ARG A 86 -10.265 -9.057 8.173 1.00 0.00 C ATOM 1220 O ARG A 86 -11.081 -8.156 7.985 1.00 0.00 O ATOM 1221 CB ARG A 86 -9.579 -9.541 10.522 1.00 0.00 C ATOM 1222 CG ARG A 86 -11.075 -9.334 10.772 1.00 0.00 C ATOM 1223 CD ARG A 86 -11.410 -7.846 10.889 1.00 0.00 C ATOM 1224 NE ARG A 86 -10.753 -7.271 12.084 1.00 0.00 N ATOM 1225 CZ ARG A 86 -11.172 -6.165 12.713 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -12.250 -5.506 12.264 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -10.514 -5.716 13.791 1.00 0.00 N ATOM 0 H ARG A 86 -9.204 -7.079 10.256 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.243 -9.384 8.851 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.355 -10.607 10.495 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.007 -9.116 11.346 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.648 -9.777 9.957 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.370 -9.850 11.686 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.080 -7.319 9.994 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.490 -7.712 10.958 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.929 -7.747 12.452 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.751 -5.847 11.444 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.569 -4.664 12.743 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.694 -6.217 14.133 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.834 -4.874 14.269 1.00 0.00 H new ATOM 1241 N ALA A 87 -10.267 -10.217 7.532 1.00 0.00 N ATOM 1242 CA ALA A 87 -11.270 -10.512 6.523 1.00 0.00 C ATOM 1243 C ALA A 87 -12.030 -11.779 6.922 1.00 0.00 C ATOM 1244 O ALA A 87 -11.679 -12.878 6.495 1.00 0.00 O ATOM 1245 CB ALA A 87 -10.597 -10.642 5.155 1.00 0.00 C ATOM 0 H ALA A 87 -9.590 -10.963 7.692 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.994 -9.700 6.453 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.350 -10.863 4.399 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -10.096 -9.707 4.906 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.865 -11.449 5.185 1.00 0.00 H new ATOM 1251 N SER A 88 -13.057 -11.584 7.736 1.00 0.00 N ATOM 1252 CA SER A 88 -13.869 -12.697 8.197 1.00 0.00 C ATOM 1253 C SER A 88 -15.349 -12.409 7.934 1.00 0.00 C ATOM 1254 O SER A 88 -15.721 -11.275 7.636 1.00 0.00 O ATOM 1255 CB SER A 88 -13.638 -12.968 9.685 1.00 0.00 C ATOM 1256 OG SER A 88 -13.199 -14.303 9.922 1.00 0.00 O ATOM 0 H SER A 88 -13.345 -10.671 8.088 1.00 0.00 H new ATOM 0 HA SER A 88 -13.574 -13.588 7.643 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.896 -12.268 10.070 1.00 0.00 H new ATOM 0 HB3 SER A 88 -14.562 -12.787 10.234 1.00 0.00 H new ATOM 0 HG SER A 88 -13.061 -14.436 10.883 1.00 0.00 H new ATOM 1262 N ALA A 89 -16.152 -13.456 8.053 1.00 0.00 N ATOM 1263 CA ALA A 89 -17.583 -13.331 7.831 1.00 0.00 C ATOM 1264 C ALA A 89 -17.834 -12.896 6.386 1.00 0.00 C ATOM 1265 O ALA A 89 -16.923 -12.422 5.709 1.00 0.00 O ATOM 1266 CB ALA A 89 -18.172 -12.349 8.847 1.00 0.00 C ATOM 0 H ALA A 89 -15.839 -14.395 8.300 1.00 0.00 H new ATOM 0 HA ALA A 89 -18.080 -14.290 7.977 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -19.245 -12.254 8.682 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -17.992 -12.718 9.857 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -17.699 -11.374 8.727 1.00 0.00 H new ATOM 1272 N ALA A 90 -19.076 -13.071 5.957 1.00 0.00 N ATOM 1273 CA ALA A 90 -19.459 -12.703 4.605 1.00 0.00 C ATOM 1274 C ALA A 90 -18.671 -13.553 3.606 1.00 0.00 C ATOM 1275 O ALA A 90 -17.442 -13.578 3.641 1.00 0.00 O ATOM 1276 CB ALA A 90 -19.232 -11.204 4.400 1.00 0.00 C ATOM 0 H ALA A 90 -19.829 -13.463 6.522 1.00 0.00 H new ATOM 0 HA ALA A 90 -20.519 -12.898 4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -19.519 -10.928 3.385 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -19.836 -10.644 5.114 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -18.178 -10.971 4.555 1.00 0.00 H new ATOM 1282 N ALA A 91 -19.411 -14.229 2.740 1.00 0.00 N ATOM 1283 CA ALA A 91 -18.797 -15.079 1.734 1.00 0.00 C ATOM 1284 C ALA A 91 -18.020 -16.201 2.425 1.00 0.00 C ATOM 1285 O ALA A 91 -16.793 -16.157 2.498 1.00 0.00 O ATOM 1286 CB ALA A 91 -17.909 -14.230 0.822 1.00 0.00 C ATOM 0 H ALA A 91 -20.430 -14.205 2.714 1.00 0.00 H new ATOM 0 HA ALA A 91 -19.558 -15.544 1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -17.448 -14.867 0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -18.514 -13.467 0.332 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -17.131 -13.750 1.416 1.00 0.00 H new ATOM 1292 N LYS A 92 -18.766 -17.180 2.915 1.00 0.00 N ATOM 1293 CA LYS A 92 -18.163 -18.311 3.598 1.00 0.00 C ATOM 1294 C LYS A 92 -17.599 -19.285 2.561 1.00 0.00 C ATOM 1295 O LYS A 92 -17.896 -19.173 1.373 1.00 0.00 O ATOM 1296 CB LYS A 92 -19.163 -18.951 4.562 1.00 0.00 C ATOM 1297 CG LYS A 92 -20.248 -19.716 3.800 1.00 0.00 C ATOM 1298 CD LYS A 92 -21.534 -18.893 3.705 1.00 0.00 C ATOM 1299 CE LYS A 92 -22.768 -19.790 3.826 1.00 0.00 C ATOM 1300 NZ LYS A 92 -23.225 -20.227 2.488 1.00 0.00 N ATOM 0 H LYS A 92 -19.784 -17.213 2.852 1.00 0.00 H new ATOM 0 HA LYS A 92 -17.327 -17.982 4.215 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -18.640 -19.629 5.236 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -19.623 -18.179 5.180 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -19.892 -19.958 2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -20.453 -20.661 4.303 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -21.548 -18.141 4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -21.559 -18.359 2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -22.533 -20.660 4.439 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -23.569 -19.251 4.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -24.063 -20.835 2.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -23.468 -19.394 1.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -22.465 -20.760 2.019 1.00 0.00 H new ATOM 1314 N SER A 93 -16.795 -20.219 3.049 1.00 0.00 N ATOM 1315 CA SER A 93 -16.187 -21.212 2.180 1.00 0.00 C ATOM 1316 C SER A 93 -16.915 -22.550 2.324 1.00 0.00 C ATOM 1317 O SER A 93 -17.192 -22.993 3.438 1.00 0.00 O ATOM 1318 CB SER A 93 -14.699 -21.380 2.493 1.00 0.00 C ATOM 1319 OG SER A 93 -14.487 -22.041 3.737 1.00 0.00 O ATOM 0 H SER A 93 -16.551 -20.309 4.035 1.00 0.00 H new ATOM 0 HA SER A 93 -16.277 -20.867 1.150 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.222 -21.949 1.694 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.221 -20.401 2.516 1.00 0.00 H new ATOM 0 HG SER A 93 -13.525 -22.131 3.900 1.00 0.00 H new ATOM 1325 N GLU A 94 -17.203 -23.156 1.182 1.00 0.00 N ATOM 1326 CA GLU A 94 -17.894 -24.435 1.167 1.00 0.00 C ATOM 1327 C GLU A 94 -16.898 -25.573 0.933 1.00 0.00 C ATOM 1328 O GLU A 94 -15.883 -25.386 0.263 1.00 0.00 O ATOM 1329 CB GLU A 94 -19.000 -24.448 0.111 1.00 0.00 C ATOM 1330 CG GLU A 94 -20.135 -23.496 0.493 1.00 0.00 C ATOM 1331 CD GLU A 94 -21.370 -23.736 -0.378 1.00 0.00 C ATOM 1332 OE1 GLU A 94 -21.175 -23.919 -1.600 1.00 0.00 O ATOM 1333 OE2 GLU A 94 -22.480 -23.731 0.196 1.00 0.00 O ATOM 0 H GLU A 94 -16.971 -22.786 0.260 1.00 0.00 H new ATOM 0 HA GLU A 94 -18.364 -24.584 2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -18.588 -24.159 -0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -19.391 -25.460 0.001 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -20.393 -23.636 1.543 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -19.802 -22.464 0.381 1.00 0.00 H new ATOM 1340 N PRO A 95 -17.232 -26.757 1.513 1.00 0.00 N ATOM 1341 CA PRO A 95 -16.379 -27.925 1.374 1.00 0.00 C ATOM 1342 C PRO A 95 -16.506 -28.534 -0.024 1.00 0.00 C ATOM 1343 O PRO A 95 -17.436 -28.213 -0.762 1.00 0.00 O ATOM 1344 CB PRO A 95 -16.824 -28.871 2.477 1.00 0.00 C ATOM 1345 CG PRO A 95 -18.209 -28.401 2.894 1.00 0.00 C ATOM 1346 CD PRO A 95 -18.425 -27.014 2.313 1.00 0.00 C ATOM 0 HA PRO A 95 -15.320 -27.687 1.475 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -16.852 -29.901 2.121 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -16.132 -28.843 3.319 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -18.971 -29.090 2.531 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -18.293 -28.377 3.981 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -19.327 -26.977 1.702 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -18.542 -26.269 3.100 1.00 0.00 H new ATOM 1354 N VAL A 96 -15.558 -29.402 -0.345 1.00 0.00 N ATOM 1355 CA VAL A 96 -15.553 -30.059 -1.641 1.00 0.00 C ATOM 1356 C VAL A 96 -16.671 -31.102 -1.684 1.00 0.00 C ATOM 1357 O VAL A 96 -16.983 -31.725 -0.670 1.00 0.00 O ATOM 1358 CB VAL A 96 -14.171 -30.652 -1.922 1.00 0.00 C ATOM 1359 CG1 VAL A 96 -13.918 -31.887 -1.055 1.00 0.00 C ATOM 1360 CG2 VAL A 96 -14.006 -30.981 -3.407 1.00 0.00 C ATOM 0 H VAL A 96 -14.788 -29.666 0.270 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.750 -29.339 -2.435 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.425 -29.901 -1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.929 -32.289 -1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -13.972 -31.610 -0.002 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -14.673 -32.643 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.015 -31.401 -3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -14.764 -31.705 -3.706 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.122 -30.071 -3.996 1.00 0.00 H new ATOM 1370 N SER A 97 -17.245 -31.260 -2.868 1.00 0.00 N ATOM 1371 CA SER A 97 -18.322 -32.217 -3.056 1.00 0.00 C ATOM 1372 C SER A 97 -17.786 -33.643 -2.912 1.00 0.00 C ATOM 1373 O SER A 97 -17.065 -34.129 -3.782 1.00 0.00 O ATOM 1374 CB SER A 97 -18.987 -32.035 -4.422 1.00 0.00 C ATOM 1375 OG SER A 97 -20.351 -31.638 -4.302 1.00 0.00 O ATOM 0 H SER A 97 -16.984 -30.741 -3.707 1.00 0.00 H new ATOM 0 HA SER A 97 -19.075 -32.040 -2.288 1.00 0.00 H new ATOM 0 HB2 SER A 97 -18.440 -31.286 -4.995 1.00 0.00 H new ATOM 0 HB3 SER A 97 -18.929 -32.969 -4.981 1.00 0.00 H new ATOM 0 HG SER A 97 -20.740 -31.530 -5.195 1.00 0.00 H new ATOM 1381 N SER A 98 -18.158 -34.272 -1.808 1.00 0.00 N ATOM 1382 CA SER A 98 -17.724 -35.633 -1.539 1.00 0.00 C ATOM 1383 C SER A 98 -18.484 -36.197 -0.337 1.00 0.00 C ATOM 1384 O SER A 98 -18.716 -35.490 0.643 1.00 0.00 O ATOM 1385 CB SER A 98 -16.216 -35.690 -1.288 1.00 0.00 C ATOM 1386 OG SER A 98 -15.876 -35.244 0.023 1.00 0.00 O ATOM 0 H SER A 98 -18.755 -33.865 -1.088 1.00 0.00 H new ATOM 0 HA SER A 98 -17.942 -36.242 -2.416 1.00 0.00 H new ATOM 0 HB2 SER A 98 -15.864 -36.712 -1.426 1.00 0.00 H new ATOM 0 HB3 SER A 98 -15.702 -35.073 -2.025 1.00 0.00 H new ATOM 0 HG SER A 98 -14.905 -35.297 0.145 1.00 0.00 H new ATOM 1392 N GLY A 99 -18.852 -37.464 -0.452 1.00 0.00 N ATOM 1393 CA GLY A 99 -19.581 -38.131 0.614 1.00 0.00 C ATOM 1394 C GLY A 99 -20.334 -39.352 0.081 1.00 0.00 C ATOM 1395 O GLY A 99 -20.280 -39.649 -1.111 1.00 0.00 O ATOM 0 H GLY A 99 -18.659 -38.047 -1.267 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -18.887 -38.440 1.396 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -20.285 -37.435 1.069 1.00 0.00 H new ATOM 1399 N PRO A 100 -21.038 -40.046 1.016 1.00 0.00 N ATOM 1400 CA PRO A 100 -21.802 -41.228 0.653 1.00 0.00 C ATOM 1401 C PRO A 100 -23.088 -40.845 -0.082 1.00 0.00 C ATOM 1402 O PRO A 100 -24.115 -40.594 0.546 1.00 0.00 O ATOM 1403 CB PRO A 100 -22.060 -41.947 1.967 1.00 0.00 C ATOM 1404 CG PRO A 100 -21.838 -40.914 3.059 1.00 0.00 C ATOM 1405 CD PRO A 100 -21.126 -39.724 2.437 1.00 0.00 C ATOM 0 HA PRO A 100 -21.270 -41.876 -0.043 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -23.076 -42.341 2.003 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -21.385 -42.794 2.088 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -22.790 -40.606 3.492 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -21.241 -41.336 3.868 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -21.682 -38.801 2.600 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -20.137 -39.582 2.873 1.00 0.00 H new ATOM 1413 N SER A 101 -22.989 -40.813 -1.403 1.00 0.00 N ATOM 1414 CA SER A 101 -24.132 -40.466 -2.231 1.00 0.00 C ATOM 1415 C SER A 101 -24.568 -41.679 -3.055 1.00 0.00 C ATOM 1416 O SER A 101 -23.750 -42.303 -3.728 1.00 0.00 O ATOM 1417 CB SER A 101 -23.808 -39.287 -3.150 1.00 0.00 C ATOM 1418 OG SER A 101 -22.642 -39.526 -3.934 1.00 0.00 O ATOM 0 H SER A 101 -22.135 -41.022 -1.920 1.00 0.00 H new ATOM 0 HA SER A 101 -24.951 -40.167 -1.577 1.00 0.00 H new ATOM 0 HB2 SER A 101 -24.655 -39.097 -3.809 1.00 0.00 H new ATOM 0 HB3 SER A 101 -23.664 -38.389 -2.550 1.00 0.00 H new ATOM 0 HG SER A 101 -22.596 -40.476 -4.170 1.00 0.00 H new ATOM 1424 N SER A 102 -25.857 -41.975 -2.977 1.00 0.00 N ATOM 1425 CA SER A 102 -26.413 -43.101 -3.707 1.00 0.00 C ATOM 1426 C SER A 102 -27.093 -42.611 -4.987 1.00 0.00 C ATOM 1427 O SER A 102 -28.215 -42.107 -4.944 1.00 0.00 O ATOM 1428 CB SER A 102 -27.405 -43.883 -2.844 1.00 0.00 C ATOM 1429 OG SER A 102 -27.880 -45.053 -3.504 1.00 0.00 O ATOM 0 H SER A 102 -26.533 -41.454 -2.419 1.00 0.00 H new ATOM 0 HA SER A 102 -25.596 -43.773 -3.972 1.00 0.00 H new ATOM 0 HB2 SER A 102 -26.926 -44.165 -1.906 1.00 0.00 H new ATOM 0 HB3 SER A 102 -28.249 -43.242 -2.591 1.00 0.00 H new ATOM 0 HG SER A 102 -28.510 -45.525 -2.920 1.00 0.00 H new ATOM 1435 N GLY A 103 -26.386 -42.775 -6.095 1.00 0.00 N ATOM 1436 CA GLY A 103 -26.908 -42.355 -7.385 1.00 0.00 C ATOM 1437 C GLY A 103 -27.196 -43.562 -8.279 1.00 0.00 C ATOM 1438 O GLY A 103 -26.497 -44.572 -8.210 1.00 0.00 O ATOM 0 H GLY A 103 -25.456 -43.193 -6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -27.822 -41.778 -7.241 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -26.190 -41.698 -7.875 1.00 0.00 H new TER 1442 GLY A 103