USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 792 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 77 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 87 LYS NZ :NH3+ -146:sc= -0.306 (180deg=0) USER MOD Set 2.2: A 88 MET CE :methyl 167:sc= -4.84! (180deg=-4.24!) USER MOD Set 3.1: A 49 SER OG : rot -48:sc= 1.23 USER MOD Set 3.2: A 79 SER OG : rot 48:sc= 0.983! USER MOD Set 4.1: A 45 SER OG : rot 160:sc= 0 USER MOD Set 4.2: A 61 GLN :FLIP amide:sc= -0.198 F(o=-0.91,f=-0.2) USER MOD Set 5.1: A 22 LYS NZ :NH3+ -139:sc= 0.114 (180deg=0) USER MOD Set 5.2: A 27 GLN : amide:sc= 0.112 X(o=0.23,f=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -21:sc= 0.28 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.026 USER MOD Single : A 12 CYS SG : rot 70:sc= -2.2 USER MOD Single : A 18 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 140:sc= -1.01 USER MOD Single : A 42 SER OG : rot -49:sc= 0.643 USER MOD Single : A 43 CYS SG : rot 34:sc= 0.559 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.493 USER MOD Single : A 48 MET CE :methyl -143:sc= -0.765 (180deg=-2.63!) USER MOD Single : A 53 LYS NZ :NH3+ -148:sc= -0.174 (180deg=-0.596) USER MOD Single : A 60 TYR OH : rot 30:sc=-0.000333 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -76:sc= -0.0177 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.326 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -4.06! C(o=-4.1!,f=-13!) USER MOD Single : A 94 SER OG : rot 80:sc= -0.147 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -158:sc= -0.0518 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.801 35.842 0.530 1.00 0.00 N ATOM 2 CA GLY A 1 19.741 35.114 -0.144 1.00 0.00 C ATOM 3 C GLY A 1 20.178 33.732 -0.587 1.00 0.00 C ATOM 4 O GLY A 1 20.703 32.954 0.210 1.00 0.00 O ATOM 0 H1 GLY A 1 20.452 36.780 0.813 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.101 35.315 1.375 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.610 35.953 -0.114 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.884 35.024 0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.409 35.683 -1.013 1.00 0.00 H new ATOM 8 N SER A 2 19.961 33.425 -1.861 1.00 0.00 N ATOM 9 CA SER A 2 20.332 32.125 -2.408 1.00 0.00 C ATOM 10 C SER A 2 20.069 31.015 -1.395 1.00 0.00 C ATOM 11 O SER A 2 20.817 30.040 -1.318 1.00 0.00 O ATOM 12 CB SER A 2 21.806 32.120 -2.815 1.00 0.00 C ATOM 13 OG SER A 2 22.649 32.058 -1.678 1.00 0.00 O ATOM 0 H SER A 2 19.530 34.058 -2.534 1.00 0.00 H new ATOM 0 HA SER A 2 19.719 31.942 -3.290 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.004 31.268 -3.465 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.031 33.018 -3.390 1.00 0.00 H new ATOM 0 HG SER A 2 22.159 32.372 -0.890 1.00 0.00 H new ATOM 19 N SER A 3 19.001 31.170 -0.620 1.00 0.00 N ATOM 20 CA SER A 3 18.640 30.184 0.392 1.00 0.00 C ATOM 21 C SER A 3 18.154 28.892 -0.258 1.00 0.00 C ATOM 22 O SER A 3 17.800 28.872 -1.436 1.00 0.00 O ATOM 23 CB SER A 3 17.556 30.743 1.316 1.00 0.00 C ATOM 24 OG SER A 3 16.288 30.722 0.685 1.00 0.00 O ATOM 0 H SER A 3 18.370 31.970 -0.673 1.00 0.00 H new ATOM 0 HA SER A 3 19.530 29.962 0.981 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.519 30.157 2.234 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.807 31.765 1.600 1.00 0.00 H new ATOM 0 HG SER A 3 15.612 31.083 1.296 1.00 0.00 H new ATOM 30 N GLY A 4 18.140 27.814 0.520 1.00 0.00 N ATOM 31 CA GLY A 4 17.696 26.532 0.004 1.00 0.00 C ATOM 32 C GLY A 4 17.278 25.578 1.105 1.00 0.00 C ATOM 33 O GLY A 4 18.050 24.707 1.507 1.00 0.00 O ATOM 0 H GLY A 4 18.428 27.805 1.498 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.858 26.688 -0.675 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.499 26.080 -0.579 1.00 0.00 H new ATOM 37 N SER A 5 16.054 25.742 1.596 1.00 0.00 N ATOM 38 CA SER A 5 15.536 24.891 2.661 1.00 0.00 C ATOM 39 C SER A 5 14.977 23.590 2.093 1.00 0.00 C ATOM 40 O SER A 5 14.597 23.522 0.925 1.00 0.00 O ATOM 41 CB SER A 5 14.449 25.626 3.447 1.00 0.00 C ATOM 42 OG SER A 5 14.925 26.868 3.937 1.00 0.00 O ATOM 0 H SER A 5 15.402 26.457 1.273 1.00 0.00 H new ATOM 0 HA SER A 5 16.360 24.650 3.333 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.582 25.792 2.807 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.116 25.006 4.280 1.00 0.00 H new ATOM 0 HG SER A 5 14.211 27.319 4.434 1.00 0.00 H new ATOM 48 N SER A 6 14.932 22.558 2.930 1.00 0.00 N ATOM 49 CA SER A 6 14.423 21.257 2.513 1.00 0.00 C ATOM 50 C SER A 6 13.750 20.537 3.677 1.00 0.00 C ATOM 51 O SER A 6 13.790 21.002 4.816 1.00 0.00 O ATOM 52 CB SER A 6 15.559 20.397 1.954 1.00 0.00 C ATOM 53 OG SER A 6 16.249 21.074 0.918 1.00 0.00 O ATOM 0 H SER A 6 15.242 22.598 3.901 1.00 0.00 H new ATOM 0 HA SER A 6 13.680 21.419 1.732 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.255 20.144 2.754 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.156 19.459 1.574 1.00 0.00 H new ATOM 0 HG SER A 6 16.971 20.504 0.579 1.00 0.00 H new ATOM 59 N GLY A 7 13.132 19.397 3.383 1.00 0.00 N ATOM 60 CA GLY A 7 12.459 18.630 4.415 1.00 0.00 C ATOM 61 C GLY A 7 11.722 17.429 3.857 1.00 0.00 C ATOM 62 O GLY A 7 11.975 16.983 2.738 1.00 0.00 O ATOM 0 H GLY A 7 13.085 18.991 2.448 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.191 18.294 5.149 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.753 19.274 4.940 1.00 0.00 H new ATOM 66 N PRO A 8 10.786 16.884 4.649 1.00 0.00 N ATOM 67 CA PRO A 8 9.992 15.719 4.248 1.00 0.00 C ATOM 68 C PRO A 8 9.000 16.047 3.137 1.00 0.00 C ATOM 69 O PRO A 8 8.574 17.190 2.971 1.00 0.00 O ATOM 70 CB PRO A 8 9.250 15.338 5.532 1.00 0.00 C ATOM 71 CG PRO A 8 9.175 16.602 6.316 1.00 0.00 C ATOM 72 CD PRO A 8 10.432 17.363 5.995 1.00 0.00 C ATOM 0 HA PRO A 8 10.615 14.920 3.845 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.256 14.948 5.314 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.783 14.562 6.082 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.290 17.178 6.045 1.00 0.00 H new ATOM 0 HG3 PRO A 8 9.106 16.395 7.384 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.264 18.440 6.007 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.223 17.156 6.716 1.00 0.00 H new ATOM 80 N PRO A 9 8.624 15.023 2.358 1.00 0.00 N ATOM 81 CA PRO A 9 7.677 15.178 1.249 1.00 0.00 C ATOM 82 C PRO A 9 6.258 15.459 1.734 1.00 0.00 C ATOM 83 O PRO A 9 5.850 14.989 2.794 1.00 0.00 O ATOM 84 CB PRO A 9 7.740 13.825 0.537 1.00 0.00 C ATOM 85 CG PRO A 9 8.177 12.863 1.587 1.00 0.00 C ATOM 86 CD PRO A 9 9.092 13.634 2.499 1.00 0.00 C ATOM 0 HA PRO A 9 7.932 16.023 0.610 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.769 13.548 0.126 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.443 13.848 -0.296 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.322 12.468 2.135 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.693 12.011 1.145 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.017 13.288 3.530 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.136 13.530 2.203 1.00 0.00 H new ATOM 94 N GLY A 10 5.512 16.229 0.948 1.00 0.00 N ATOM 95 CA GLY A 10 4.147 16.560 1.314 1.00 0.00 C ATOM 96 C GLY A 10 3.223 15.359 1.252 1.00 0.00 C ATOM 97 O GLY A 10 3.661 14.220 1.087 1.00 0.00 O ATOM 0 H GLY A 10 5.828 16.629 0.065 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.134 16.973 2.323 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.773 17.337 0.647 1.00 0.00 H new ATOM 101 N PRO A 11 1.912 15.608 1.387 1.00 0.00 N ATOM 102 CA PRO A 11 0.898 14.551 1.350 1.00 0.00 C ATOM 103 C PRO A 11 0.739 13.948 -0.041 1.00 0.00 C ATOM 104 O PRO A 11 0.201 14.586 -0.947 1.00 0.00 O ATOM 105 CB PRO A 11 -0.385 15.275 1.769 1.00 0.00 C ATOM 106 CG PRO A 11 -0.153 16.700 1.400 1.00 0.00 C ATOM 107 CD PRO A 11 1.320 16.941 1.587 1.00 0.00 C ATOM 0 HA PRO A 11 1.161 13.712 1.995 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.255 14.869 1.253 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.569 15.168 2.838 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.452 16.890 0.369 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.741 17.367 2.030 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.704 17.663 0.866 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.540 17.334 2.580 1.00 0.00 H new ATOM 115 N CYS A 12 1.209 12.717 -0.205 1.00 0.00 N ATOM 116 CA CYS A 12 1.120 12.028 -1.487 1.00 0.00 C ATOM 117 C CYS A 12 -0.334 11.746 -1.853 1.00 0.00 C ATOM 118 O CYS A 12 -1.242 11.979 -1.054 1.00 0.00 O ATOM 119 CB CYS A 12 1.910 10.719 -1.443 1.00 0.00 C ATOM 120 SG CYS A 12 3.664 10.928 -1.059 1.00 0.00 S ATOM 0 H CYS A 12 1.656 12.175 0.534 1.00 0.00 H new ATOM 0 HA CYS A 12 1.549 12.677 -2.250 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.462 10.062 -0.698 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.817 10.219 -2.407 1.00 0.00 H new ATOM 0 HG CYS A 12 3.796 11.292 0.182 1.00 0.00 H new ATOM 126 N LEU A 13 -0.547 11.247 -3.065 1.00 0.00 N ATOM 127 CA LEU A 13 -1.891 10.935 -3.538 1.00 0.00 C ATOM 128 C LEU A 13 -2.277 9.503 -3.180 1.00 0.00 C ATOM 129 O LEU A 13 -1.425 8.644 -2.953 1.00 0.00 O ATOM 130 CB LEU A 13 -1.980 11.135 -5.052 1.00 0.00 C ATOM 131 CG LEU A 13 -2.129 12.579 -5.531 1.00 0.00 C ATOM 132 CD1 LEU A 13 -1.710 12.705 -6.988 1.00 0.00 C ATOM 133 CD2 LEU A 13 -3.561 13.058 -5.343 1.00 0.00 C ATOM 0 H LEU A 13 0.193 11.050 -3.738 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.588 11.613 -3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.084 10.713 -5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.828 10.560 -5.425 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.474 13.210 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.823 13.740 -7.311 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.668 12.403 -7.094 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.338 12.062 -7.604 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.649 14.088 -5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.235 12.423 -5.918 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.826 13.007 -4.287 1.00 0.00 H new ATOM 145 N PRO A 14 -3.591 9.239 -3.128 1.00 0.00 N ATOM 146 CA PRO A 14 -4.119 7.912 -2.800 1.00 0.00 C ATOM 147 C PRO A 14 -3.858 6.895 -3.906 1.00 0.00 C ATOM 148 O PRO A 14 -4.015 7.179 -5.094 1.00 0.00 O ATOM 149 CB PRO A 14 -5.622 8.157 -2.643 1.00 0.00 C ATOM 150 CG PRO A 14 -5.898 9.363 -3.472 1.00 0.00 C ATOM 151 CD PRO A 14 -4.662 10.216 -3.386 1.00 0.00 C ATOM 0 HA PRO A 14 -3.646 7.493 -1.911 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.201 7.300 -2.987 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.889 8.324 -1.600 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.110 9.086 -4.505 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.770 9.901 -3.100 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.489 10.767 -4.310 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.736 10.952 -2.585 1.00 0.00 H new ATOM 159 N PRO A 15 -3.451 5.680 -3.510 1.00 0.00 N ATOM 160 CA PRO A 15 -3.161 4.596 -4.453 1.00 0.00 C ATOM 161 C PRO A 15 -4.420 4.061 -5.127 1.00 0.00 C ATOM 162 O PRO A 15 -5.415 3.771 -4.463 1.00 0.00 O ATOM 163 CB PRO A 15 -2.529 3.517 -3.570 1.00 0.00 C ATOM 164 CG PRO A 15 -3.067 3.780 -2.206 1.00 0.00 C ATOM 165 CD PRO A 15 -3.243 5.271 -2.111 1.00 0.00 C ATOM 0 HA PRO A 15 -2.520 4.928 -5.270 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.795 2.518 -3.915 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.441 3.580 -3.585 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.015 3.265 -2.054 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.382 3.418 -1.440 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.094 5.536 -1.484 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.366 5.752 -1.678 1.00 0.00 H new ATOM 173 N ARG A 16 -4.369 3.933 -6.449 1.00 0.00 N ATOM 174 CA ARG A 16 -5.506 3.434 -7.213 1.00 0.00 C ATOM 175 C ARG A 16 -5.526 1.909 -7.224 1.00 0.00 C ATOM 176 O ARG A 16 -4.483 1.262 -7.119 1.00 0.00 O ATOM 177 CB ARG A 16 -5.457 3.965 -8.647 1.00 0.00 C ATOM 178 CG ARG A 16 -4.621 3.109 -9.584 1.00 0.00 C ATOM 179 CD ARG A 16 -4.860 3.480 -11.039 1.00 0.00 C ATOM 180 NE ARG A 16 -3.692 3.206 -11.873 1.00 0.00 N ATOM 181 CZ ARG A 16 -3.625 3.506 -13.165 1.00 0.00 C ATOM 182 NH1 ARG A 16 -4.652 4.089 -13.768 1.00 0.00 N ATOM 183 NH2 ARG A 16 -2.528 3.225 -13.857 1.00 0.00 N ATOM 0 H ARG A 16 -3.552 4.168 -7.013 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.418 3.789 -6.733 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.473 4.030 -9.037 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.054 4.978 -8.637 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.565 3.231 -9.345 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.863 2.057 -9.431 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.716 2.922 -11.419 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.113 4.538 -11.106 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.884 2.760 -11.439 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.496 4.308 -13.239 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.598 4.318 -14.760 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.735 2.778 -13.397 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.478 3.456 -14.849 1.00 0.00 H new ATOM 197 N LEU A 17 -6.720 1.339 -7.351 1.00 0.00 N ATOM 198 CA LEU A 17 -6.877 -0.111 -7.375 1.00 0.00 C ATOM 199 C LEU A 17 -6.419 -0.686 -8.712 1.00 0.00 C ATOM 200 O LEU A 17 -6.971 -0.355 -9.761 1.00 0.00 O ATOM 201 CB LEU A 17 -8.336 -0.490 -7.116 1.00 0.00 C ATOM 202 CG LEU A 17 -8.713 -1.944 -7.405 1.00 0.00 C ATOM 203 CD1 LEU A 17 -8.007 -2.880 -6.437 1.00 0.00 C ATOM 204 CD2 LEU A 17 -10.221 -2.129 -7.325 1.00 0.00 C ATOM 0 H LEU A 17 -7.593 1.859 -7.439 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.254 -0.533 -6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.566 -0.276 -6.072 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.971 0.156 -7.721 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.390 -2.190 -8.417 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.287 -3.910 -6.657 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.928 -2.767 -6.543 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.299 -2.635 -5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.472 -3.169 -7.533 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.567 -1.865 -6.326 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.706 -1.485 -8.059 1.00 0.00 H new ATOM 216 N GLN A 18 -5.410 -1.549 -8.665 1.00 0.00 N ATOM 217 CA GLN A 18 -4.880 -2.171 -9.873 1.00 0.00 C ATOM 218 C GLN A 18 -5.751 -3.345 -10.307 1.00 0.00 C ATOM 219 O GLN A 18 -6.418 -3.973 -9.486 1.00 0.00 O ATOM 220 CB GLN A 18 -3.444 -2.643 -9.641 1.00 0.00 C ATOM 221 CG GLN A 18 -2.585 -2.617 -10.895 1.00 0.00 C ATOM 222 CD GLN A 18 -1.286 -3.381 -10.728 1.00 0.00 C ATOM 223 OE1 GLN A 18 -0.326 -2.775 -10.039 1.00 0.00 O flip ATOM 224 NE2 GLN A 18 -1.146 -4.504 -11.213 1.00 0.00 N flip ATOM 0 H GLN A 18 -4.943 -1.834 -7.804 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.885 -1.425 -10.668 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.982 -2.013 -8.881 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.464 -3.658 -9.245 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.148 -3.042 -11.726 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.363 -1.583 -11.157 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.910 -4.933 -11.735 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.266 -5.006 -11.092 1.00 0.00 H new ATOM 233 N GLY A 19 -5.739 -3.636 -11.605 1.00 0.00 N ATOM 234 CA GLY A 19 -6.532 -4.734 -12.126 1.00 0.00 C ATOM 235 C GLY A 19 -7.857 -4.886 -11.405 1.00 0.00 C ATOM 236 O GLY A 19 -8.735 -4.031 -11.519 1.00 0.00 O ATOM 0 H GLY A 19 -5.194 -3.131 -12.304 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.716 -4.573 -13.188 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.966 -5.661 -12.038 1.00 0.00 H new ATOM 240 N ARG A 20 -8.002 -5.978 -10.660 1.00 0.00 N ATOM 241 CA ARG A 20 -9.231 -6.240 -9.920 1.00 0.00 C ATOM 242 C ARG A 20 -8.921 -6.747 -8.515 1.00 0.00 C ATOM 243 O ARG A 20 -7.969 -7.496 -8.294 1.00 0.00 O ATOM 244 CB ARG A 20 -10.091 -7.263 -10.665 1.00 0.00 C ATOM 245 CG ARG A 20 -10.719 -6.719 -11.938 1.00 0.00 C ATOM 246 CD ARG A 20 -11.712 -5.607 -11.638 1.00 0.00 C ATOM 247 NE ARG A 20 -12.406 -5.154 -12.841 1.00 0.00 N ATOM 248 CZ ARG A 20 -13.406 -5.820 -13.406 1.00 0.00 C ATOM 249 NH1 ARG A 20 -13.828 -6.962 -12.881 1.00 0.00 N ATOM 250 NH2 ARG A 20 -13.988 -5.344 -14.500 1.00 0.00 N ATOM 0 H ARG A 20 -7.284 -6.695 -10.553 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.783 -5.304 -9.836 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.477 -8.129 -10.914 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.881 -7.613 -10.001 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.938 -6.342 -12.598 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.224 -7.526 -12.469 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.442 -5.960 -10.909 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.188 -4.766 -11.183 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.106 -4.279 -13.270 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.384 -7.332 -12.040 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.597 -7.471 -13.318 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.667 -4.466 -14.907 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -14.756 -5.857 -14.933 1.00 0.00 H new ATOM 264 N PRO A 21 -9.742 -6.328 -7.540 1.00 0.00 N ATOM 265 CA PRO A 21 -9.576 -6.727 -6.140 1.00 0.00 C ATOM 266 C PRO A 21 -9.899 -8.200 -5.914 1.00 0.00 C ATOM 267 O PRO A 21 -10.720 -8.782 -6.624 1.00 0.00 O ATOM 268 CB PRO A 21 -10.578 -5.840 -5.397 1.00 0.00 C ATOM 269 CG PRO A 21 -11.616 -5.508 -6.413 1.00 0.00 C ATOM 270 CD PRO A 21 -10.896 -5.434 -7.731 1.00 0.00 C ATOM 0 HA PRO A 21 -8.547 -6.607 -5.802 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.012 -6.362 -4.544 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.100 -4.940 -5.011 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.396 -6.269 -6.437 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.102 -4.560 -6.180 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.529 -5.766 -8.554 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.582 -4.416 -7.961 1.00 0.00 H new ATOM 278 N LYS A 22 -9.250 -8.799 -4.921 1.00 0.00 N ATOM 279 CA LYS A 22 -9.469 -10.204 -4.600 1.00 0.00 C ATOM 280 C LYS A 22 -10.281 -10.348 -3.317 1.00 0.00 C ATOM 281 O LYS A 22 -10.670 -9.356 -2.702 1.00 0.00 O ATOM 282 CB LYS A 22 -8.130 -10.930 -4.454 1.00 0.00 C ATOM 283 CG LYS A 22 -7.208 -10.753 -5.648 1.00 0.00 C ATOM 284 CD LYS A 22 -7.512 -11.764 -6.741 1.00 0.00 C ATOM 285 CE LYS A 22 -6.354 -11.891 -7.720 1.00 0.00 C ATOM 286 NZ LYS A 22 -6.301 -10.744 -8.668 1.00 0.00 N ATOM 0 H LYS A 22 -8.567 -8.332 -4.324 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.032 -10.655 -5.418 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.625 -10.567 -3.559 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.317 -11.993 -4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.315 -9.743 -6.045 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.172 -10.862 -5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.719 -12.736 -6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.412 -11.462 -7.277 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.416 -11.949 -7.168 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.452 -12.821 -8.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.073 -11.092 -9.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.224 -10.265 -8.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.569 -10.073 -8.360 1.00 0.00 H new ATOM 300 N ALA A 23 -10.531 -11.591 -2.917 1.00 0.00 N ATOM 301 CA ALA A 23 -11.293 -11.865 -1.705 1.00 0.00 C ATOM 302 C ALA A 23 -10.518 -11.442 -0.462 1.00 0.00 C ATOM 303 O ALA A 23 -11.034 -10.714 0.386 1.00 0.00 O ATOM 304 CB ALA A 23 -11.651 -13.342 -1.629 1.00 0.00 C ATOM 0 H ALA A 23 -10.217 -12.424 -3.415 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.213 -11.281 -1.744 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.220 -13.532 -0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.252 -13.616 -2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.738 -13.938 -1.617 1.00 0.00 H new ATOM 310 N LYS A 24 -9.276 -11.903 -0.360 1.00 0.00 N ATOM 311 CA LYS A 24 -8.429 -11.572 0.780 1.00 0.00 C ATOM 312 C LYS A 24 -7.160 -10.857 0.325 1.00 0.00 C ATOM 313 O LYS A 24 -6.163 -10.826 1.045 1.00 0.00 O ATOM 314 CB LYS A 24 -8.062 -12.840 1.554 1.00 0.00 C ATOM 315 CG LYS A 24 -9.268 -13.634 2.027 1.00 0.00 C ATOM 316 CD LYS A 24 -8.930 -14.496 3.231 1.00 0.00 C ATOM 317 CE LYS A 24 -10.180 -14.889 4.004 1.00 0.00 C ATOM 318 NZ LYS A 24 -10.784 -16.145 3.480 1.00 0.00 N ATOM 0 H LYS A 24 -8.834 -12.507 -1.053 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.988 -10.903 1.434 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.444 -13.476 0.920 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.456 -12.566 2.418 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.077 -12.950 2.283 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.630 -14.266 1.216 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.407 -15.394 2.902 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.250 -13.954 3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.930 -15.018 5.057 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.911 -14.083 3.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.633 -16.379 4.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.046 -16.014 2.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.095 -16.920 3.558 1.00 0.00 H new ATOM 332 N GLU A 25 -7.207 -10.283 -0.873 1.00 0.00 N ATOM 333 CA GLU A 25 -6.061 -9.567 -1.422 1.00 0.00 C ATOM 334 C GLU A 25 -6.515 -8.413 -2.311 1.00 0.00 C ATOM 335 O GLU A 25 -7.630 -8.420 -2.834 1.00 0.00 O ATOM 336 CB GLU A 25 -5.172 -10.522 -2.221 1.00 0.00 C ATOM 337 CG GLU A 25 -4.517 -11.598 -1.373 1.00 0.00 C ATOM 338 CD GLU A 25 -3.990 -12.754 -2.201 1.00 0.00 C ATOM 339 OE1 GLU A 25 -4.743 -13.259 -3.060 1.00 0.00 O ATOM 340 OE2 GLU A 25 -2.827 -13.154 -1.990 1.00 0.00 O ATOM 0 H GLU A 25 -8.025 -10.300 -1.482 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.488 -9.157 -0.590 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.771 -10.998 -2.998 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.396 -9.946 -2.725 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.696 -11.159 -0.806 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.240 -11.974 -0.649 1.00 0.00 H new ATOM 347 N ILE A 26 -5.644 -7.423 -2.476 1.00 0.00 N ATOM 348 CA ILE A 26 -5.955 -6.263 -3.301 1.00 0.00 C ATOM 349 C ILE A 26 -4.687 -5.648 -3.884 1.00 0.00 C ATOM 350 O ILE A 26 -3.687 -5.485 -3.186 1.00 0.00 O ATOM 351 CB ILE A 26 -6.711 -5.188 -2.499 1.00 0.00 C ATOM 352 CG1 ILE A 26 -7.904 -5.810 -1.770 1.00 0.00 C ATOM 353 CG2 ILE A 26 -7.172 -4.067 -3.419 1.00 0.00 C ATOM 354 CD1 ILE A 26 -8.756 -4.799 -1.034 1.00 0.00 C ATOM 0 H ILE A 26 -4.718 -7.401 -2.049 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.592 -6.614 -4.112 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.034 -4.767 -1.756 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.525 -6.339 -2.492 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.539 -6.552 -1.059 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.705 -3.315 -2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.306 -3.609 -3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.836 -4.473 -4.182 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.583 -5.310 -0.541 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.149 -4.286 -0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.151 -4.071 -1.743 1.00 0.00 H new ATOM 366 N GLN A 27 -4.738 -5.306 -5.168 1.00 0.00 N ATOM 367 CA GLN A 27 -3.593 -4.708 -5.844 1.00 0.00 C ATOM 368 C GLN A 27 -3.760 -3.196 -5.963 1.00 0.00 C ATOM 369 O GLN A 27 -4.863 -2.699 -6.195 1.00 0.00 O ATOM 370 CB GLN A 27 -3.416 -5.323 -7.233 1.00 0.00 C ATOM 371 CG GLN A 27 -2.944 -6.768 -7.202 1.00 0.00 C ATOM 372 CD GLN A 27 -3.343 -7.539 -8.446 1.00 0.00 C ATOM 373 OE1 GLN A 27 -4.375 -8.209 -8.470 1.00 0.00 O ATOM 374 NE2 GLN A 27 -2.524 -7.447 -9.487 1.00 0.00 N ATOM 0 H GLN A 27 -5.559 -5.433 -5.760 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.704 -4.912 -5.248 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.364 -5.270 -7.768 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.698 -4.727 -7.797 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.859 -6.790 -7.098 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.358 -7.263 -6.324 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.679 -6.880 -9.422 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.740 -7.944 -10.351 1.00 0.00 H new ATOM 383 N LEU A 28 -2.659 -2.470 -5.802 1.00 0.00 N ATOM 384 CA LEU A 28 -2.684 -1.014 -5.890 1.00 0.00 C ATOM 385 C LEU A 28 -1.564 -0.505 -6.793 1.00 0.00 C ATOM 386 O LEU A 28 -0.597 -1.217 -7.061 1.00 0.00 O ATOM 387 CB LEU A 28 -2.552 -0.397 -4.497 1.00 0.00 C ATOM 388 CG LEU A 28 -3.578 -0.854 -3.460 1.00 0.00 C ATOM 389 CD1 LEU A 28 -3.011 -0.727 -2.055 1.00 0.00 C ATOM 390 CD2 LEU A 28 -4.864 -0.052 -3.592 1.00 0.00 C ATOM 0 H LEU A 28 -1.739 -2.865 -5.610 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.639 -0.716 -6.323 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.556 -0.620 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.621 0.687 -4.594 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.807 -1.904 -3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.756 -1.057 -1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.119 -1.346 -1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.751 0.314 -1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.583 -0.391 -2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.651 1.006 -3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.281 -0.195 -4.589 1.00 0.00 H new ATOM 402 N ARG A 29 -1.702 0.733 -7.257 1.00 0.00 N ATOM 403 CA ARG A 29 -0.702 1.338 -8.128 1.00 0.00 C ATOM 404 C ARG A 29 -0.691 2.856 -7.971 1.00 0.00 C ATOM 405 O ARG A 29 -1.584 3.547 -8.462 1.00 0.00 O ATOM 406 CB ARG A 29 -0.975 0.968 -9.587 1.00 0.00 C ATOM 407 CG ARG A 29 -0.444 1.985 -10.583 1.00 0.00 C ATOM 408 CD ARG A 29 -0.166 1.348 -11.936 1.00 0.00 C ATOM 409 NE ARG A 29 0.714 2.174 -12.759 1.00 0.00 N ATOM 410 CZ ARG A 29 2.039 2.148 -12.673 1.00 0.00 C ATOM 411 NH1 ARG A 29 2.635 1.342 -11.805 1.00 0.00 N ATOM 412 NH2 ARG A 29 2.771 2.929 -13.457 1.00 0.00 N ATOM 0 H ARG A 29 -2.497 1.336 -7.044 1.00 0.00 H new ATOM 0 HA ARG A 29 0.276 0.953 -7.839 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.525 -0.002 -9.797 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.050 0.859 -9.730 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.167 2.792 -10.701 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.471 2.432 -10.195 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.289 0.368 -11.789 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.107 1.187 -12.461 1.00 0.00 H new ATOM 0 HE ARG A 29 0.287 2.805 -13.437 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.076 0.740 -11.201 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.653 1.324 -11.741 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.316 3.550 -14.126 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.789 2.909 -13.390 1.00 0.00 H new ATOM 426 N TRP A 30 0.324 3.366 -7.284 1.00 0.00 N ATOM 427 CA TRP A 30 0.451 4.802 -7.061 1.00 0.00 C ATOM 428 C TRP A 30 1.668 5.360 -7.790 1.00 0.00 C ATOM 429 O TRP A 30 2.346 4.644 -8.525 1.00 0.00 O ATOM 430 CB TRP A 30 0.556 5.100 -5.565 1.00 0.00 C ATOM 431 CG TRP A 30 1.681 4.373 -4.892 1.00 0.00 C ATOM 432 CD1 TRP A 30 2.922 4.867 -4.606 1.00 0.00 C ATOM 433 CD2 TRP A 30 1.668 3.020 -4.424 1.00 0.00 C ATOM 434 NE1 TRP A 30 3.681 3.903 -3.988 1.00 0.00 N ATOM 435 CE2 TRP A 30 2.935 2.761 -3.864 1.00 0.00 C ATOM 436 CE3 TRP A 30 0.710 2.003 -4.421 1.00 0.00 C ATOM 437 CZ2 TRP A 30 3.265 1.527 -3.309 1.00 0.00 C ATOM 438 CZ3 TRP A 30 1.040 0.779 -3.870 1.00 0.00 C ATOM 439 CH2 TRP A 30 2.308 0.550 -3.320 1.00 0.00 C ATOM 0 H TRP A 30 1.071 2.807 -6.872 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.441 5.286 -7.458 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.690 6.172 -5.424 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.383 4.830 -5.081 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.257 5.868 -4.832 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.644 4.019 -3.673 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.271 2.170 -4.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.242 1.348 -2.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.308 -0.015 -3.863 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.534 -0.417 -2.896 1.00 0.00 H new ATOM 450 N GLY A 31 1.940 6.645 -7.581 1.00 0.00 N ATOM 451 CA GLY A 31 3.077 7.277 -8.226 1.00 0.00 C ATOM 452 C GLY A 31 3.780 8.268 -7.320 1.00 0.00 C ATOM 453 O GLY A 31 3.401 8.463 -6.165 1.00 0.00 O ATOM 0 H GLY A 31 1.394 7.259 -6.977 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.785 6.510 -8.540 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.741 7.789 -9.128 1.00 0.00 H new ATOM 457 N PRO A 32 4.831 8.914 -7.846 1.00 0.00 N ATOM 458 CA PRO A 32 5.612 9.901 -7.094 1.00 0.00 C ATOM 459 C PRO A 32 4.829 11.184 -6.834 1.00 0.00 C ATOM 460 O PRO A 32 4.148 11.712 -7.713 1.00 0.00 O ATOM 461 CB PRO A 32 6.807 10.179 -8.008 1.00 0.00 C ATOM 462 CG PRO A 32 6.318 9.860 -9.379 1.00 0.00 C ATOM 463 CD PRO A 32 5.338 8.731 -9.217 1.00 0.00 C ATOM 0 HA PRO A 32 5.890 9.534 -6.106 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.129 11.218 -7.934 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.663 9.560 -7.739 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.842 10.728 -9.835 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.143 9.570 -10.030 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.536 8.786 -9.953 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.819 7.761 -9.342 1.00 0.00 H new ATOM 471 N PRO A 33 4.927 11.698 -5.599 1.00 0.00 N ATOM 472 CA PRO A 33 4.236 12.926 -5.196 1.00 0.00 C ATOM 473 C PRO A 33 4.819 14.166 -5.865 1.00 0.00 C ATOM 474 O PRO A 33 5.983 14.177 -6.267 1.00 0.00 O ATOM 475 CB PRO A 33 4.460 12.979 -3.683 1.00 0.00 C ATOM 476 CG PRO A 33 5.712 12.203 -3.458 1.00 0.00 C ATOM 477 CD PRO A 33 5.721 11.120 -4.502 1.00 0.00 C ATOM 0 HA PRO A 33 3.185 12.916 -5.485 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.563 14.006 -3.334 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.620 12.541 -3.143 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.590 12.843 -3.552 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.733 11.778 -2.455 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.735 10.879 -4.823 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.278 10.197 -4.128 1.00 0.00 H new ATOM 485 N LEU A 34 4.004 15.209 -5.981 1.00 0.00 N ATOM 486 CA LEU A 34 4.440 16.455 -6.601 1.00 0.00 C ATOM 487 C LEU A 34 5.374 17.226 -5.675 1.00 0.00 C ATOM 488 O LEU A 34 6.284 17.920 -6.130 1.00 0.00 O ATOM 489 CB LEU A 34 3.230 17.320 -6.959 1.00 0.00 C ATOM 490 CG LEU A 34 2.639 17.103 -8.353 1.00 0.00 C ATOM 491 CD1 LEU A 34 1.179 17.527 -8.385 1.00 0.00 C ATOM 492 CD2 LEU A 34 3.441 17.867 -9.397 1.00 0.00 C ATOM 0 H LEU A 34 3.038 15.216 -5.654 1.00 0.00 H new ATOM 0 HA LEU A 34 4.985 16.208 -7.512 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.448 17.138 -6.222 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.517 18.367 -6.867 1.00 0.00 H new ATOM 0 HG LEU A 34 2.693 16.040 -8.589 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.775 17.366 -9.384 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.613 16.936 -7.665 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.101 18.584 -8.129 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.006 17.701 -10.383 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.419 18.932 -9.165 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.473 17.516 -9.392 1.00 0.00 H new ATOM 504 N VAL A 35 5.145 17.099 -4.372 1.00 0.00 N ATOM 505 CA VAL A 35 5.968 17.781 -3.380 1.00 0.00 C ATOM 506 C VAL A 35 6.895 16.803 -2.668 1.00 0.00 C ATOM 507 O VAL A 35 6.551 16.259 -1.618 1.00 0.00 O ATOM 508 CB VAL A 35 5.101 18.506 -2.334 1.00 0.00 C ATOM 509 CG1 VAL A 35 5.962 19.399 -1.453 1.00 0.00 C ATOM 510 CG2 VAL A 35 4.006 19.312 -3.015 1.00 0.00 C ATOM 0 H VAL A 35 4.396 16.530 -3.978 1.00 0.00 H new ATOM 0 HA VAL A 35 6.566 18.517 -3.917 1.00 0.00 H new ATOM 0 HB VAL A 35 4.627 17.757 -1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.332 19.903 -0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.706 18.792 -0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.466 20.142 -2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.403 19.817 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.457 20.053 -3.675 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.372 18.644 -3.598 1.00 0.00 H new ATOM 520 N ASP A 36 8.071 16.583 -3.245 1.00 0.00 N ATOM 521 CA ASP A 36 9.049 15.670 -2.664 1.00 0.00 C ATOM 522 C ASP A 36 9.857 16.363 -1.572 1.00 0.00 C ATOM 523 O ASP A 36 10.933 15.900 -1.193 1.00 0.00 O ATOM 524 CB ASP A 36 9.986 15.135 -3.748 1.00 0.00 C ATOM 525 CG ASP A 36 10.924 16.201 -4.279 1.00 0.00 C ATOM 526 OD1 ASP A 36 11.451 16.987 -3.465 1.00 0.00 O ATOM 527 OD2 ASP A 36 11.132 16.248 -5.510 1.00 0.00 O ATOM 0 H ASP A 36 8.370 17.024 -4.115 1.00 0.00 H new ATOM 0 HA ASP A 36 8.510 14.835 -2.217 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.571 14.309 -3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.394 14.734 -4.570 1.00 0.00 H new ATOM 532 N GLY A 37 9.332 17.477 -1.070 1.00 0.00 N ATOM 533 CA GLY A 37 10.019 18.217 -0.027 1.00 0.00 C ATOM 534 C GLY A 37 11.351 18.772 -0.492 1.00 0.00 C ATOM 535 O GLY A 37 12.197 19.137 0.323 1.00 0.00 O ATOM 0 H GLY A 37 8.443 17.880 -1.367 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.385 19.037 0.310 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.180 17.565 0.831 1.00 0.00 H new ATOM 539 N GLY A 38 11.538 18.834 -1.807 1.00 0.00 N ATOM 540 CA GLY A 38 12.780 19.348 -2.355 1.00 0.00 C ATOM 541 C GLY A 38 13.850 18.281 -2.468 1.00 0.00 C ATOM 542 O GLY A 38 14.937 18.534 -2.986 1.00 0.00 O ATOM 0 H GLY A 38 10.853 18.538 -2.502 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.590 19.773 -3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.144 20.158 -1.723 1.00 0.00 H new ATOM 546 N SER A 39 13.542 17.083 -1.980 1.00 0.00 N ATOM 547 CA SER A 39 14.488 15.974 -2.024 1.00 0.00 C ATOM 548 C SER A 39 13.919 14.806 -2.822 1.00 0.00 C ATOM 549 O SER A 39 12.711 14.567 -2.847 1.00 0.00 O ATOM 550 CB SER A 39 14.835 15.517 -0.606 1.00 0.00 C ATOM 551 OG SER A 39 15.573 16.510 0.085 1.00 0.00 O ATOM 0 H SER A 39 12.645 16.856 -1.550 1.00 0.00 H new ATOM 0 HA SER A 39 15.395 16.321 -2.519 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.919 15.294 -0.059 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.414 14.594 -0.650 1.00 0.00 H new ATOM 0 HG SER A 39 15.265 16.559 1.014 1.00 0.00 H new ATOM 557 N PRO A 40 14.809 14.058 -3.492 1.00 0.00 N ATOM 558 CA PRO A 40 14.420 12.902 -4.304 1.00 0.00 C ATOM 559 C PRO A 40 13.933 11.734 -3.453 1.00 0.00 C ATOM 560 O PRO A 40 14.683 11.187 -2.644 1.00 0.00 O ATOM 561 CB PRO A 40 15.714 12.529 -5.033 1.00 0.00 C ATOM 562 CG PRO A 40 16.804 13.040 -4.156 1.00 0.00 C ATOM 563 CD PRO A 40 16.264 14.285 -3.507 1.00 0.00 C ATOM 0 HA PRO A 40 13.590 13.133 -4.971 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.792 11.451 -5.174 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.756 12.984 -6.023 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.082 12.299 -3.407 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.701 13.259 -4.736 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.660 14.418 -2.500 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.525 15.179 -4.073 1.00 0.00 H new ATOM 571 N ILE A 41 12.673 11.356 -3.642 1.00 0.00 N ATOM 572 CA ILE A 41 12.087 10.252 -2.892 1.00 0.00 C ATOM 573 C ILE A 41 13.054 9.076 -2.799 1.00 0.00 C ATOM 574 O ILE A 41 13.791 8.789 -3.742 1.00 0.00 O ATOM 575 CB ILE A 41 10.772 9.770 -3.535 1.00 0.00 C ATOM 576 CG1 ILE A 41 9.832 10.954 -3.773 1.00 0.00 C ATOM 577 CG2 ILE A 41 10.104 8.725 -2.654 1.00 0.00 C ATOM 578 CD1 ILE A 41 9.572 11.777 -2.531 1.00 0.00 C ATOM 0 H ILE A 41 12.039 11.798 -4.308 1.00 0.00 H new ATOM 0 HA ILE A 41 11.877 10.627 -1.890 1.00 0.00 H new ATOM 0 HB ILE A 41 11.001 9.313 -4.498 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.258 11.597 -4.543 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.883 10.582 -4.158 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.176 8.394 -3.121 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.772 7.873 -2.530 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.884 9.158 -1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.898 12.599 -2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.117 11.148 -1.766 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.514 12.179 -2.157 1.00 0.00 H new ATOM 590 N SER A 42 13.044 8.399 -1.655 1.00 0.00 N ATOM 591 CA SER A 42 13.922 7.255 -1.437 1.00 0.00 C ATOM 592 C SER A 42 13.114 5.967 -1.310 1.00 0.00 C ATOM 593 O SER A 42 13.526 4.912 -1.795 1.00 0.00 O ATOM 594 CB SER A 42 14.767 7.466 -0.180 1.00 0.00 C ATOM 595 OG SER A 42 13.968 7.404 0.989 1.00 0.00 O ATOM 0 H SER A 42 12.438 8.623 -0.865 1.00 0.00 H new ATOM 0 HA SER A 42 14.583 7.166 -2.299 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.548 6.707 -0.131 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.266 8.434 -0.232 1.00 0.00 H new ATOM 0 HG SER A 42 13.183 7.980 0.880 1.00 0.00 H new ATOM 601 N CYS A 43 11.963 6.061 -0.655 1.00 0.00 N ATOM 602 CA CYS A 43 11.096 4.903 -0.462 1.00 0.00 C ATOM 603 C CYS A 43 9.689 5.337 -0.063 1.00 0.00 C ATOM 604 O CYS A 43 9.486 6.452 0.420 1.00 0.00 O ATOM 605 CB CYS A 43 11.679 3.976 0.606 1.00 0.00 C ATOM 606 SG CYS A 43 12.802 2.717 -0.043 1.00 0.00 S ATOM 0 H CYS A 43 11.608 6.926 -0.248 1.00 0.00 H new ATOM 0 HA CYS A 43 11.036 4.364 -1.407 1.00 0.00 H new ATOM 0 HB2 CYS A 43 12.212 4.578 1.343 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.860 3.482 1.129 1.00 0.00 H new ATOM 0 HG CYS A 43 13.454 3.199 -1.059 1.00 0.00 H new ATOM 612 N TYR A 44 8.722 4.452 -0.270 1.00 0.00 N ATOM 613 CA TYR A 44 7.333 4.745 0.064 1.00 0.00 C ATOM 614 C TYR A 44 6.819 3.794 1.142 1.00 0.00 C ATOM 615 O TYR A 44 7.521 2.873 1.558 1.00 0.00 O ATOM 616 CB TYR A 44 6.454 4.642 -1.183 1.00 0.00 C ATOM 617 CG TYR A 44 6.797 5.656 -2.251 1.00 0.00 C ATOM 618 CD1 TYR A 44 6.357 6.970 -2.156 1.00 0.00 C ATOM 619 CD2 TYR A 44 7.561 5.300 -3.355 1.00 0.00 C ATOM 620 CE1 TYR A 44 6.667 7.900 -3.129 1.00 0.00 C ATOM 621 CE2 TYR A 44 7.878 6.223 -4.333 1.00 0.00 C ATOM 622 CZ TYR A 44 7.428 7.522 -4.216 1.00 0.00 C ATOM 623 OH TYR A 44 7.740 8.445 -5.187 1.00 0.00 O ATOM 0 H TYR A 44 8.874 3.525 -0.668 1.00 0.00 H new ATOM 0 HA TYR A 44 7.286 5.763 0.451 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.548 3.640 -1.602 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.411 4.770 -0.894 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.762 7.270 -1.306 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.914 4.284 -3.451 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.316 8.917 -3.039 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.475 5.929 -5.184 1.00 0.00 H new ATOM 0 HH TYR A 44 8.282 8.018 -5.882 1.00 0.00 H new ATOM 633 N SER A 45 5.589 4.026 1.588 1.00 0.00 N ATOM 634 CA SER A 45 4.981 3.194 2.619 1.00 0.00 C ATOM 635 C SER A 45 3.459 3.253 2.538 1.00 0.00 C ATOM 636 O SER A 45 2.863 4.328 2.601 1.00 0.00 O ATOM 637 CB SER A 45 5.446 3.642 4.006 1.00 0.00 C ATOM 638 OG SER A 45 4.878 2.832 5.021 1.00 0.00 O ATOM 0 H SER A 45 4.994 4.783 1.252 1.00 0.00 H new ATOM 0 HA SER A 45 5.297 2.164 2.452 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.533 3.592 4.062 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.166 4.683 4.168 1.00 0.00 H new ATOM 0 HG SER A 45 5.411 2.911 5.839 1.00 0.00 H new ATOM 644 N VAL A 46 2.834 2.088 2.396 1.00 0.00 N ATOM 645 CA VAL A 46 1.381 2.005 2.307 1.00 0.00 C ATOM 646 C VAL A 46 0.778 1.496 3.611 1.00 0.00 C ATOM 647 O VAL A 46 1.050 0.374 4.035 1.00 0.00 O ATOM 648 CB VAL A 46 0.942 1.081 1.156 1.00 0.00 C ATOM 649 CG1 VAL A 46 -0.573 0.947 1.127 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.464 1.602 -0.175 1.00 0.00 C ATOM 0 H VAL A 46 3.312 1.189 2.340 1.00 0.00 H new ATOM 0 HA VAL A 46 1.018 3.014 2.112 1.00 0.00 H new ATOM 0 HB VAL A 46 1.368 0.092 1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.865 0.290 0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.919 0.525 2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.022 1.929 0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.144 0.937 -0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.069 2.602 -0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.553 1.641 -0.149 1.00 0.00 H new ATOM 660 N GLU A 47 -0.042 2.330 4.242 1.00 0.00 N ATOM 661 CA GLU A 47 -0.684 1.964 5.499 1.00 0.00 C ATOM 662 C GLU A 47 -2.178 1.728 5.299 1.00 0.00 C ATOM 663 O GLU A 47 -2.965 2.673 5.251 1.00 0.00 O ATOM 664 CB GLU A 47 -0.465 3.057 6.547 1.00 0.00 C ATOM 665 CG GLU A 47 -0.991 2.694 7.925 1.00 0.00 C ATOM 666 CD GLU A 47 -0.732 3.778 8.953 1.00 0.00 C ATOM 667 OE1 GLU A 47 -0.789 4.970 8.585 1.00 0.00 O ATOM 668 OE2 GLU A 47 -0.472 3.435 10.126 1.00 0.00 O ATOM 0 H GLU A 47 -0.277 3.263 3.904 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.231 1.037 5.851 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.601 3.271 6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.952 3.973 6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.063 2.506 7.863 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.524 1.766 8.255 1.00 0.00 H new ATOM 675 N MET A 48 -2.561 0.461 5.183 1.00 0.00 N ATOM 676 CA MET A 48 -3.960 0.100 4.988 1.00 0.00 C ATOM 677 C MET A 48 -4.663 -0.095 6.328 1.00 0.00 C ATOM 678 O MET A 48 -4.050 -0.530 7.303 1.00 0.00 O ATOM 679 CB MET A 48 -4.069 -1.176 4.152 1.00 0.00 C ATOM 680 CG MET A 48 -5.482 -1.730 4.069 1.00 0.00 C ATOM 681 SD MET A 48 -5.515 -3.500 3.729 1.00 0.00 S ATOM 682 CE MET A 48 -5.156 -4.164 5.354 1.00 0.00 C ATOM 0 H MET A 48 -1.922 -0.333 5.221 1.00 0.00 H new ATOM 0 HA MET A 48 -4.449 0.916 4.456 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.708 -0.972 3.144 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.414 -1.936 4.577 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.000 -1.535 5.008 1.00 0.00 H new ATOM 0 HG3 MET A 48 -6.029 -1.203 3.287 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.525 -5.047 5.255 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.636 -3.412 5.948 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.088 -4.437 5.849 1.00 0.00 H new ATOM 692 N SER A 49 -5.951 0.229 6.369 1.00 0.00 N ATOM 693 CA SER A 49 -6.735 0.093 7.591 1.00 0.00 C ATOM 694 C SER A 49 -8.200 -0.185 7.268 1.00 0.00 C ATOM 695 O SER A 49 -8.782 0.396 6.351 1.00 0.00 O ATOM 696 CB SER A 49 -6.620 1.361 8.439 1.00 0.00 C ATOM 697 OG SER A 49 -7.637 2.291 8.107 1.00 0.00 O ATOM 0 H SER A 49 -6.474 0.588 5.570 1.00 0.00 H new ATOM 0 HA SER A 49 -6.339 -0.751 8.156 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.690 1.103 9.496 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.642 1.817 8.286 1.00 0.00 H new ATOM 0 HG SER A 49 -7.687 2.388 7.133 1.00 0.00 H new ATOM 703 N PRO A 50 -8.813 -1.096 8.039 1.00 0.00 N ATOM 704 CA PRO A 50 -10.217 -1.472 7.855 1.00 0.00 C ATOM 705 C PRO A 50 -11.174 -0.352 8.249 1.00 0.00 C ATOM 706 O PRO A 50 -11.367 -0.075 9.433 1.00 0.00 O ATOM 707 CB PRO A 50 -10.388 -2.673 8.789 1.00 0.00 C ATOM 708 CG PRO A 50 -9.344 -2.490 9.836 1.00 0.00 C ATOM 709 CD PRO A 50 -8.181 -1.827 9.150 1.00 0.00 C ATOM 0 HA PRO A 50 -10.447 -1.689 6.812 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.387 -2.696 9.225 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.252 -3.613 8.254 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.716 -1.875 10.655 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.050 -3.448 10.265 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.648 -1.154 9.822 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.457 -2.558 8.790 1.00 0.00 H new ATOM 717 N ILE A 51 -11.771 0.288 7.249 1.00 0.00 N ATOM 718 CA ILE A 51 -12.709 1.377 7.492 1.00 0.00 C ATOM 719 C ILE A 51 -13.589 1.085 8.702 1.00 0.00 C ATOM 720 O ILE A 51 -13.941 1.990 9.458 1.00 0.00 O ATOM 721 CB ILE A 51 -13.607 1.631 6.267 1.00 0.00 C ATOM 722 CG1 ILE A 51 -14.914 2.301 6.695 1.00 0.00 C ATOM 723 CG2 ILE A 51 -13.888 0.325 5.538 1.00 0.00 C ATOM 724 CD1 ILE A 51 -15.566 3.112 5.597 1.00 0.00 C ATOM 0 H ILE A 51 -11.622 0.071 6.264 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.113 2.269 7.686 1.00 0.00 H new ATOM 0 HB ILE A 51 -13.085 2.301 5.584 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.612 1.535 7.033 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.717 2.951 7.548 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -14.524 0.520 4.674 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -12.948 -0.115 5.205 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -14.394 -0.366 6.212 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -16.487 3.558 5.972 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.886 3.901 5.275 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.795 2.463 4.752 1.00 0.00 H new ATOM 736 N GLU A 52 -13.940 -0.185 8.879 1.00 0.00 N ATOM 737 CA GLU A 52 -14.779 -0.596 9.998 1.00 0.00 C ATOM 738 C GLU A 52 -14.141 -0.206 11.328 1.00 0.00 C ATOM 739 O GLU A 52 -14.809 0.314 12.222 1.00 0.00 O ATOM 740 CB GLU A 52 -15.017 -2.107 9.958 1.00 0.00 C ATOM 741 CG GLU A 52 -13.753 -2.916 9.723 1.00 0.00 C ATOM 742 CD GLU A 52 -13.994 -4.411 9.802 1.00 0.00 C ATOM 743 OE1 GLU A 52 -14.675 -4.853 10.751 1.00 0.00 O ATOM 744 OE2 GLU A 52 -13.501 -5.139 8.915 1.00 0.00 O ATOM 0 H GLU A 52 -13.656 -0.946 8.262 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.736 -0.082 9.909 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.469 -2.420 10.899 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.735 -2.333 9.169 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.345 -2.669 8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.003 -2.633 10.461 1.00 0.00 H new ATOM 751 N LYS A 53 -12.843 -0.462 11.453 1.00 0.00 N ATOM 752 CA LYS A 53 -12.112 -0.138 12.672 1.00 0.00 C ATOM 753 C LYS A 53 -10.792 0.553 12.348 1.00 0.00 C ATOM 754 O LYS A 53 -10.078 0.148 11.430 1.00 0.00 O ATOM 755 CB LYS A 53 -11.850 -1.407 13.486 1.00 0.00 C ATOM 756 CG LYS A 53 -10.908 -2.384 12.803 1.00 0.00 C ATOM 757 CD LYS A 53 -10.909 -3.737 13.495 1.00 0.00 C ATOM 758 CE LYS A 53 -10.483 -4.848 12.548 1.00 0.00 C ATOM 759 NZ LYS A 53 -11.578 -5.229 11.613 1.00 0.00 N ATOM 0 H LYS A 53 -12.275 -0.894 10.724 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.723 0.545 13.262 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.432 -1.128 14.453 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.799 -1.906 13.681 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.203 -2.507 11.761 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.897 -1.976 12.802 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.235 -3.709 14.351 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.906 -3.949 13.881 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.613 -4.524 11.976 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.178 -5.721 13.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.505 -6.242 11.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.498 -5.039 12.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.497 -4.673 10.738 1.00 0.00 H new ATOM 773 N ASP A 54 -10.472 1.595 13.107 1.00 0.00 N ATOM 774 CA ASP A 54 -9.236 2.340 12.901 1.00 0.00 C ATOM 775 C ASP A 54 -8.027 1.520 13.342 1.00 0.00 C ATOM 776 O ASP A 54 -7.543 1.665 14.464 1.00 0.00 O ATOM 777 CB ASP A 54 -9.278 3.662 13.670 1.00 0.00 C ATOM 778 CG ASP A 54 -8.199 4.627 13.222 1.00 0.00 C ATOM 779 OD1 ASP A 54 -8.200 5.008 12.032 1.00 0.00 O ATOM 780 OD2 ASP A 54 -7.352 5.002 14.060 1.00 0.00 O ATOM 0 H ASP A 54 -11.052 1.943 13.871 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.141 2.550 11.836 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.255 4.126 13.536 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.164 3.463 14.736 1.00 0.00 H new ATOM 785 N GLU A 55 -7.547 0.658 12.452 1.00 0.00 N ATOM 786 CA GLU A 55 -6.396 -0.187 12.751 1.00 0.00 C ATOM 787 C GLU A 55 -5.402 -0.181 11.593 1.00 0.00 C ATOM 788 O GLU A 55 -5.102 -1.214 10.994 1.00 0.00 O ATOM 789 CB GLU A 55 -6.849 -1.619 13.041 1.00 0.00 C ATOM 790 CG GLU A 55 -5.921 -2.372 13.980 1.00 0.00 C ATOM 791 CD GLU A 55 -6.598 -3.555 14.644 1.00 0.00 C ATOM 792 OE1 GLU A 55 -7.049 -4.465 13.917 1.00 0.00 O ATOM 793 OE2 GLU A 55 -6.676 -3.572 15.890 1.00 0.00 O ATOM 0 H GLU A 55 -7.936 0.526 11.519 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.901 0.216 13.635 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.849 -1.594 13.474 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.923 -2.165 12.101 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.052 -2.721 13.423 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.555 -1.690 14.747 1.00 0.00 H new ATOM 800 N PRO A 56 -4.878 1.011 11.270 1.00 0.00 N ATOM 801 CA PRO A 56 -3.909 1.181 10.183 1.00 0.00 C ATOM 802 C PRO A 56 -2.554 0.565 10.512 1.00 0.00 C ATOM 803 O PRO A 56 -2.150 0.514 11.674 1.00 0.00 O ATOM 804 CB PRO A 56 -3.788 2.701 10.052 1.00 0.00 C ATOM 805 CG PRO A 56 -4.156 3.229 11.396 1.00 0.00 C ATOM 806 CD PRO A 56 -5.190 2.284 11.942 1.00 0.00 C ATOM 0 HA PRO A 56 -4.231 0.684 9.268 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.776 2.995 9.775 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.454 3.086 9.280 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.285 3.275 12.050 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.553 4.242 11.322 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.119 2.194 13.026 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.202 2.621 11.715 1.00 0.00 H new ATOM 814 N ARG A 57 -1.856 0.097 9.482 1.00 0.00 N ATOM 815 CA ARG A 57 -0.546 -0.517 9.662 1.00 0.00 C ATOM 816 C ARG A 57 0.196 -0.615 8.333 1.00 0.00 C ATOM 817 O ARG A 57 -0.422 -0.690 7.271 1.00 0.00 O ATOM 818 CB ARG A 57 -0.692 -1.908 10.281 1.00 0.00 C ATOM 819 CG ARG A 57 -1.143 -2.970 9.292 1.00 0.00 C ATOM 820 CD ARG A 57 -2.642 -2.898 9.042 1.00 0.00 C ATOM 821 NE ARG A 57 -3.399 -3.664 10.028 1.00 0.00 N ATOM 822 CZ ARG A 57 -4.636 -4.104 9.825 1.00 0.00 C ATOM 823 NH1 ARG A 57 -5.252 -3.854 8.677 1.00 0.00 N ATOM 824 NH2 ARG A 57 -5.259 -4.795 10.770 1.00 0.00 N ATOM 0 H ARG A 57 -2.176 0.131 8.514 1.00 0.00 H new ATOM 0 HA ARG A 57 0.034 0.114 10.336 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.264 -2.207 10.712 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.409 -1.858 11.100 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.609 -2.842 8.350 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.884 -3.958 9.673 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.964 -1.857 9.067 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.861 -3.276 8.043 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.954 -3.873 10.922 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.776 -3.323 7.948 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.202 -4.193 8.523 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.788 -4.989 11.654 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.209 -5.132 10.613 1.00 0.00 H new ATOM 838 N GLU A 58 1.524 -0.613 8.400 1.00 0.00 N ATOM 839 CA GLU A 58 2.349 -0.701 7.201 1.00 0.00 C ATOM 840 C GLU A 58 2.228 -2.079 6.557 1.00 0.00 C ATOM 841 O GLU A 58 2.813 -3.052 7.031 1.00 0.00 O ATOM 842 CB GLU A 58 3.813 -0.411 7.541 1.00 0.00 C ATOM 843 CG GLU A 58 4.780 -0.789 6.432 1.00 0.00 C ATOM 844 CD GLU A 58 6.222 -0.818 6.901 1.00 0.00 C ATOM 845 OE1 GLU A 58 6.667 0.177 7.512 1.00 0.00 O ATOM 846 OE2 GLU A 58 6.906 -1.833 6.656 1.00 0.00 O ATOM 0 H GLU A 58 2.051 -0.551 9.271 1.00 0.00 H new ATOM 0 HA GLU A 58 1.993 0.045 6.490 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.923 0.651 7.762 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.082 -0.954 8.447 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.510 -1.769 6.038 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.683 -0.078 5.612 1.00 0.00 H new ATOM 853 N VAL A 59 1.462 -2.153 5.473 1.00 0.00 N ATOM 854 CA VAL A 59 1.264 -3.411 4.762 1.00 0.00 C ATOM 855 C VAL A 59 2.283 -3.575 3.640 1.00 0.00 C ATOM 856 O VAL A 59 2.416 -4.653 3.060 1.00 0.00 O ATOM 857 CB VAL A 59 -0.155 -3.502 4.169 1.00 0.00 C ATOM 858 CG1 VAL A 59 -1.201 -3.386 5.267 1.00 0.00 C ATOM 859 CG2 VAL A 59 -0.360 -2.430 3.110 1.00 0.00 C ATOM 0 H VAL A 59 0.969 -1.357 5.068 1.00 0.00 H new ATOM 0 HA VAL A 59 1.398 -4.211 5.490 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.269 -4.476 3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.197 -3.452 4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.066 -4.195 5.985 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.091 -2.428 5.775 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.368 -2.509 2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.227 -1.445 3.558 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.367 -2.566 2.309 1.00 0.00 H new ATOM 869 N TYR A 60 3.002 -2.499 3.339 1.00 0.00 N ATOM 870 CA TYR A 60 4.009 -2.523 2.285 1.00 0.00 C ATOM 871 C TYR A 60 5.034 -1.411 2.486 1.00 0.00 C ATOM 872 O TYR A 60 4.742 -0.389 3.106 1.00 0.00 O ATOM 873 CB TYR A 60 3.346 -2.379 0.914 1.00 0.00 C ATOM 874 CG TYR A 60 4.330 -2.333 -0.233 1.00 0.00 C ATOM 875 CD1 TYR A 60 4.791 -3.502 -0.825 1.00 0.00 C ATOM 876 CD2 TYR A 60 4.800 -1.121 -0.723 1.00 0.00 C ATOM 877 CE1 TYR A 60 5.691 -3.466 -1.873 1.00 0.00 C ATOM 878 CE2 TYR A 60 5.698 -1.075 -1.771 1.00 0.00 C ATOM 879 CZ TYR A 60 6.141 -2.249 -2.342 1.00 0.00 C ATOM 880 OH TYR A 60 7.037 -2.207 -3.386 1.00 0.00 O ATOM 0 H TYR A 60 2.906 -1.599 3.810 1.00 0.00 H new ATOM 0 HA TYR A 60 4.526 -3.482 2.332 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.662 -3.214 0.761 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.746 -1.469 0.904 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.440 -4.456 -0.460 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.457 -0.199 -0.277 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.040 -4.384 -2.322 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.052 -0.124 -2.141 1.00 0.00 H new ATOM 0 HH TYR A 60 6.898 -2.983 -3.968 1.00 0.00 H new ATOM 890 N GLN A 61 6.234 -1.619 1.955 1.00 0.00 N ATOM 891 CA GLN A 61 7.303 -0.634 2.075 1.00 0.00 C ATOM 892 C GLN A 61 8.461 -0.971 1.142 1.00 0.00 C ATOM 893 O GLN A 61 9.095 -2.018 1.275 1.00 0.00 O ATOM 894 CB GLN A 61 7.801 -0.565 3.520 1.00 0.00 C ATOM 895 CG GLN A 61 8.658 0.657 3.810 1.00 0.00 C ATOM 896 CD GLN A 61 8.902 0.859 5.293 1.00 0.00 C ATOM 897 OE1 GLN A 61 8.113 1.731 5.910 1.00 0.00 O flip ATOM 898 NE2 GLN A 61 9.791 0.240 5.878 1.00 0.00 N flip ATOM 0 H GLN A 61 6.491 -2.460 1.438 1.00 0.00 H new ATOM 0 HA GLN A 61 6.901 0.338 1.789 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.943 -0.564 4.192 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.377 -1.463 3.740 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.615 0.555 3.299 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.171 1.543 3.402 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.375 -0.421 5.365 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.944 0.388 6.876 1.00 0.00 H new ATOM 907 N GLY A 62 8.732 -0.077 0.196 1.00 0.00 N ATOM 908 CA GLY A 62 9.814 -0.299 -0.746 1.00 0.00 C ATOM 909 C GLY A 62 10.125 0.934 -1.571 1.00 0.00 C ATOM 910 O GLY A 62 9.871 2.059 -1.140 1.00 0.00 O ATOM 0 H GLY A 62 8.222 0.797 0.065 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.708 -0.604 -0.202 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.550 -1.121 -1.412 1.00 0.00 H new ATOM 914 N SER A 63 10.679 0.724 -2.761 1.00 0.00 N ATOM 915 CA SER A 63 11.031 1.827 -3.647 1.00 0.00 C ATOM 916 C SER A 63 10.055 1.919 -4.815 1.00 0.00 C ATOM 917 O SER A 63 9.970 2.946 -5.487 1.00 0.00 O ATOM 918 CB SER A 63 12.457 1.653 -4.172 1.00 0.00 C ATOM 919 OG SER A 63 12.607 0.411 -4.837 1.00 0.00 O ATOM 0 H SER A 63 10.894 -0.201 -3.134 1.00 0.00 H new ATOM 0 HA SER A 63 10.973 2.752 -3.074 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.698 2.467 -4.856 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.163 1.713 -3.344 1.00 0.00 H new ATOM 0 HG SER A 63 13.526 0.324 -5.165 1.00 0.00 H new ATOM 925 N GLU A 64 9.320 0.836 -5.051 1.00 0.00 N ATOM 926 CA GLU A 64 8.350 0.794 -6.139 1.00 0.00 C ATOM 927 C GLU A 64 7.084 1.562 -5.769 1.00 0.00 C ATOM 928 O GLU A 64 6.932 2.023 -4.638 1.00 0.00 O ATOM 929 CB GLU A 64 7.998 -0.655 -6.482 1.00 0.00 C ATOM 930 CG GLU A 64 9.210 -1.521 -6.783 1.00 0.00 C ATOM 931 CD GLU A 64 10.198 -0.838 -7.709 1.00 0.00 C ATOM 932 OE1 GLU A 64 9.751 -0.113 -8.623 1.00 0.00 O ATOM 933 OE2 GLU A 64 11.417 -1.029 -7.521 1.00 0.00 O ATOM 0 H GLU A 64 9.378 -0.023 -4.504 1.00 0.00 H new ATOM 0 HA GLU A 64 8.800 1.268 -7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.447 -1.093 -5.650 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.332 -0.664 -7.345 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.710 -1.777 -5.849 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.881 -2.456 -7.235 1.00 0.00 H new ATOM 940 N VAL A 65 6.178 1.697 -6.732 1.00 0.00 N ATOM 941 CA VAL A 65 4.925 2.409 -6.510 1.00 0.00 C ATOM 942 C VAL A 65 3.726 1.501 -6.758 1.00 0.00 C ATOM 943 O VAL A 65 2.640 1.970 -7.097 1.00 0.00 O ATOM 944 CB VAL A 65 4.814 3.647 -7.419 1.00 0.00 C ATOM 945 CG1 VAL A 65 6.058 4.514 -7.294 1.00 0.00 C ATOM 946 CG2 VAL A 65 4.588 3.229 -8.864 1.00 0.00 C ATOM 0 H VAL A 65 6.288 1.322 -7.674 1.00 0.00 H new ATOM 0 HA VAL A 65 4.924 2.731 -5.469 1.00 0.00 H new ATOM 0 HB VAL A 65 3.955 4.237 -7.098 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.962 5.384 -7.943 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.170 4.843 -6.261 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.935 3.937 -7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.512 4.117 -9.492 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.425 2.617 -9.201 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.665 2.653 -8.936 1.00 0.00 H new ATOM 956 N GLU A 66 3.930 0.199 -6.585 1.00 0.00 N ATOM 957 CA GLU A 66 2.865 -0.775 -6.791 1.00 0.00 C ATOM 958 C GLU A 66 3.123 -2.043 -5.982 1.00 0.00 C ATOM 959 O GLU A 66 4.224 -2.595 -6.007 1.00 0.00 O ATOM 960 CB GLU A 66 2.739 -1.121 -8.276 1.00 0.00 C ATOM 961 CG GLU A 66 4.048 -1.559 -8.912 1.00 0.00 C ATOM 962 CD GLU A 66 3.851 -2.196 -10.273 1.00 0.00 C ATOM 963 OE1 GLU A 66 3.681 -1.448 -11.259 1.00 0.00 O ATOM 964 OE2 GLU A 66 3.866 -3.442 -10.354 1.00 0.00 O ATOM 0 H GLU A 66 4.823 -0.205 -6.303 1.00 0.00 H new ATOM 0 HA GLU A 66 1.931 -0.330 -6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.003 -1.917 -8.394 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.357 -0.252 -8.812 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.706 -0.696 -9.011 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.549 -2.268 -8.252 1.00 0.00 H new ATOM 971 N CYS A 67 2.102 -2.499 -5.266 1.00 0.00 N ATOM 972 CA CYS A 67 2.218 -3.702 -4.448 1.00 0.00 C ATOM 973 C CYS A 67 0.893 -4.457 -4.401 1.00 0.00 C ATOM 974 O CYS A 67 -0.090 -4.049 -5.020 1.00 0.00 O ATOM 975 CB CYS A 67 2.662 -3.338 -3.030 1.00 0.00 C ATOM 976 SG CYS A 67 1.341 -2.675 -1.989 1.00 0.00 S ATOM 0 H CYS A 67 1.184 -2.055 -5.235 1.00 0.00 H new ATOM 0 HA CYS A 67 2.969 -4.350 -4.901 1.00 0.00 H new ATOM 0 HB2 CYS A 67 3.076 -4.226 -2.552 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.466 -2.604 -3.090 1.00 0.00 H new ATOM 0 HG CYS A 67 1.096 -1.445 -2.330 1.00 0.00 H new ATOM 982 N THR A 68 0.874 -5.562 -3.662 1.00 0.00 N ATOM 983 CA THR A 68 -0.328 -6.376 -3.536 1.00 0.00 C ATOM 984 C THR A 68 -0.590 -6.748 -2.081 1.00 0.00 C ATOM 985 O THR A 68 0.152 -7.531 -1.487 1.00 0.00 O ATOM 986 CB THR A 68 -0.224 -7.665 -4.373 1.00 0.00 C ATOM 987 OG1 THR A 68 0.020 -7.340 -5.746 1.00 0.00 O ATOM 988 CG2 THR A 68 -1.498 -8.488 -4.260 1.00 0.00 C ATOM 0 H THR A 68 1.678 -5.913 -3.142 1.00 0.00 H new ATOM 0 HA THR A 68 -1.157 -5.775 -3.910 1.00 0.00 H new ATOM 0 HB THR A 68 0.607 -8.256 -3.987 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.086 -8.165 -6.271 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.401 -9.393 -4.859 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.665 -8.759 -3.218 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.343 -7.902 -4.622 1.00 0.00 H new ATOM 996 N VAL A 69 -1.651 -6.183 -1.513 1.00 0.00 N ATOM 997 CA VAL A 69 -2.012 -6.457 -0.127 1.00 0.00 C ATOM 998 C VAL A 69 -2.723 -7.800 0.001 1.00 0.00 C ATOM 999 O VAL A 69 -3.338 -8.281 -0.951 1.00 0.00 O ATOM 1000 CB VAL A 69 -2.919 -5.352 0.446 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -2.958 -5.427 1.965 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -2.445 -3.982 -0.016 1.00 0.00 C ATOM 0 H VAL A 69 -2.275 -5.533 -1.991 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.083 -6.485 0.442 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.931 -5.507 0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.604 -4.639 2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.347 -6.398 2.271 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.951 -5.298 2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.097 -3.213 0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.424 -3.815 0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.474 -3.935 -1.105 1.00 0.00 H new ATOM 1012 N SER A 70 -2.634 -8.400 1.183 1.00 0.00 N ATOM 1013 CA SER A 70 -3.267 -9.690 1.435 1.00 0.00 C ATOM 1014 C SER A 70 -3.715 -9.801 2.889 1.00 0.00 C ATOM 1015 O SER A 70 -3.604 -8.847 3.659 1.00 0.00 O ATOM 1016 CB SER A 70 -2.303 -10.829 1.098 1.00 0.00 C ATOM 1017 OG SER A 70 -1.263 -10.918 2.056 1.00 0.00 O ATOM 0 H SER A 70 -2.130 -8.014 1.981 1.00 0.00 H new ATOM 0 HA SER A 70 -4.146 -9.766 0.796 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.848 -11.772 1.060 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.877 -10.668 0.108 1.00 0.00 H new ATOM 0 HG SER A 70 -0.662 -11.655 1.819 1.00 0.00 H new ATOM 1023 N SER A 71 -4.221 -10.973 3.258 1.00 0.00 N ATOM 1024 CA SER A 71 -4.689 -11.210 4.618 1.00 0.00 C ATOM 1025 C SER A 71 -5.882 -10.316 4.945 1.00 0.00 C ATOM 1026 O SER A 71 -6.024 -9.837 6.071 1.00 0.00 O ATOM 1027 CB SER A 71 -3.560 -10.959 5.620 1.00 0.00 C ATOM 1028 OG SER A 71 -2.820 -12.143 5.861 1.00 0.00 O ATOM 0 H SER A 71 -4.317 -11.774 2.634 1.00 0.00 H new ATOM 0 HA SER A 71 -5.005 -12.251 4.691 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.896 -10.183 5.238 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.977 -10.590 6.557 1.00 0.00 H new ATOM 0 HG SER A 71 -2.104 -11.956 6.503 1.00 0.00 H new ATOM 1034 N LEU A 72 -6.737 -10.095 3.953 1.00 0.00 N ATOM 1035 CA LEU A 72 -7.919 -9.259 4.133 1.00 0.00 C ATOM 1036 C LEU A 72 -9.192 -10.097 4.079 1.00 0.00 C ATOM 1037 O LEU A 72 -9.140 -11.315 3.901 1.00 0.00 O ATOM 1038 CB LEU A 72 -7.965 -8.170 3.059 1.00 0.00 C ATOM 1039 CG LEU A 72 -6.613 -7.638 2.584 1.00 0.00 C ATOM 1040 CD1 LEU A 72 -6.785 -6.775 1.344 1.00 0.00 C ATOM 1041 CD2 LEU A 72 -5.929 -6.852 3.693 1.00 0.00 C ATOM 0 H LEU A 72 -6.634 -10.483 3.015 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.857 -8.790 5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.502 -8.562 2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.547 -7.333 3.444 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.981 -8.487 2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.812 -6.405 1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.231 -7.369 0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.435 -5.931 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.968 -6.481 3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.558 -6.010 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.771 -7.501 4.554 1.00 0.00 H new ATOM 1053 N LEU A 73 -10.335 -9.437 4.231 1.00 0.00 N ATOM 1054 CA LEU A 73 -11.623 -10.121 4.197 1.00 0.00 C ATOM 1055 C LEU A 73 -12.425 -9.711 2.966 1.00 0.00 C ATOM 1056 O LEU A 73 -12.491 -8.538 2.600 1.00 0.00 O ATOM 1057 CB LEU A 73 -12.420 -9.811 5.465 1.00 0.00 C ATOM 1058 CG LEU A 73 -11.770 -10.227 6.785 1.00 0.00 C ATOM 1059 CD1 LEU A 73 -12.588 -9.724 7.965 1.00 0.00 C ATOM 1060 CD2 LEU A 73 -11.611 -11.739 6.849 1.00 0.00 C ATOM 0 H LEU A 73 -10.396 -8.430 4.379 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.436 -11.194 4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.609 -8.738 5.498 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.390 -10.303 5.390 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.779 -9.776 6.838 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.110 -10.030 8.896 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.649 -8.636 7.928 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.592 -10.145 7.918 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.147 -12.016 7.795 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.590 -12.211 6.773 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.982 -12.074 6.024 1.00 0.00 H new ATOM 1072 N PRO A 74 -13.052 -10.700 2.312 1.00 0.00 N ATOM 1073 CA PRO A 74 -13.864 -10.467 1.114 1.00 0.00 C ATOM 1074 C PRO A 74 -15.157 -9.721 1.425 1.00 0.00 C ATOM 1075 O PRO A 74 -15.650 -9.758 2.552 1.00 0.00 O ATOM 1076 CB PRO A 74 -14.170 -11.880 0.612 1.00 0.00 C ATOM 1077 CG PRO A 74 -14.079 -12.741 1.824 1.00 0.00 C ATOM 1078 CD PRO A 74 -13.018 -12.122 2.692 1.00 0.00 C ATOM 0 HA PRO A 74 -13.345 -9.844 0.386 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.161 -11.934 0.162 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.456 -12.193 -0.150 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.035 -12.783 2.346 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.817 -13.765 1.557 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.235 -12.260 3.751 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.039 -12.564 2.507 1.00 0.00 H new ATOM 1086 N GLY A 75 -15.701 -9.043 0.419 1.00 0.00 N ATOM 1087 CA GLY A 75 -16.932 -8.298 0.607 1.00 0.00 C ATOM 1088 C GLY A 75 -16.823 -7.267 1.713 1.00 0.00 C ATOM 1089 O GLY A 75 -17.817 -6.924 2.353 1.00 0.00 O ATOM 0 H GLY A 75 -15.311 -8.996 -0.522 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.197 -7.799 -0.325 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.741 -8.991 0.839 1.00 0.00 H new ATOM 1093 N LYS A 76 -15.611 -6.772 1.940 1.00 0.00 N ATOM 1094 CA LYS A 76 -15.374 -5.774 2.976 1.00 0.00 C ATOM 1095 C LYS A 76 -14.521 -4.627 2.443 1.00 0.00 C ATOM 1096 O LYS A 76 -13.615 -4.837 1.636 1.00 0.00 O ATOM 1097 CB LYS A 76 -14.687 -6.416 4.184 1.00 0.00 C ATOM 1098 CG LYS A 76 -15.574 -7.389 4.942 1.00 0.00 C ATOM 1099 CD LYS A 76 -16.559 -6.662 5.841 1.00 0.00 C ATOM 1100 CE LYS A 76 -15.975 -6.416 7.224 1.00 0.00 C ATOM 1101 NZ LYS A 76 -17.034 -6.336 8.267 1.00 0.00 N ATOM 0 H LYS A 76 -14.777 -7.046 1.420 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.339 -5.372 3.285 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.793 -6.940 3.847 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.359 -5.630 4.865 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.119 -8.013 4.234 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.955 -8.055 5.543 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.834 -5.710 5.386 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.473 -7.249 5.930 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.280 -7.218 7.473 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.402 -5.489 7.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.595 -6.168 9.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.683 -5.554 8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.565 -7.230 8.292 1.00 0.00 H new ATOM 1115 N THR A 77 -14.815 -3.414 2.901 1.00 0.00 N ATOM 1116 CA THR A 77 -14.075 -2.235 2.470 1.00 0.00 C ATOM 1117 C THR A 77 -12.847 -2.007 3.343 1.00 0.00 C ATOM 1118 O THR A 77 -12.802 -2.444 4.494 1.00 0.00 O ATOM 1119 CB THR A 77 -14.958 -0.973 2.506 1.00 0.00 C ATOM 1120 OG1 THR A 77 -16.172 -1.204 1.782 1.00 0.00 O ATOM 1121 CG2 THR A 77 -14.225 0.218 1.909 1.00 0.00 C ATOM 0 H THR A 77 -15.560 -3.223 3.570 1.00 0.00 H new ATOM 0 HA THR A 77 -13.758 -2.419 1.443 1.00 0.00 H new ATOM 0 HB THR A 77 -15.192 -0.750 3.547 1.00 0.00 H new ATOM 0 HG1 THR A 77 -16.729 -0.398 1.811 1.00 0.00 H new ATOM 0 HG21 THR A 77 -14.869 1.097 1.946 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.316 0.410 2.480 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.964 0.002 0.873 1.00 0.00 H new ATOM 1129 N TYR A 78 -11.854 -1.320 2.791 1.00 0.00 N ATOM 1130 CA TYR A 78 -10.623 -1.035 3.520 1.00 0.00 C ATOM 1131 C TYR A 78 -10.031 0.302 3.088 1.00 0.00 C ATOM 1132 O TYR A 78 -9.874 0.568 1.896 1.00 0.00 O ATOM 1133 CB TYR A 78 -9.604 -2.153 3.298 1.00 0.00 C ATOM 1134 CG TYR A 78 -9.875 -3.392 4.122 1.00 0.00 C ATOM 1135 CD1 TYR A 78 -10.900 -4.266 3.782 1.00 0.00 C ATOM 1136 CD2 TYR A 78 -9.104 -3.689 5.240 1.00 0.00 C ATOM 1137 CE1 TYR A 78 -11.151 -5.399 4.532 1.00 0.00 C ATOM 1138 CE2 TYR A 78 -9.347 -4.820 5.995 1.00 0.00 C ATOM 1139 CZ TYR A 78 -10.372 -5.671 5.637 1.00 0.00 C ATOM 1140 OH TYR A 78 -10.618 -6.799 6.386 1.00 0.00 O ATOM 0 H TYR A 78 -11.877 -0.950 1.841 1.00 0.00 H new ATOM 0 HA TYR A 78 -10.864 -0.978 4.581 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.598 -2.423 2.242 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.609 -1.779 3.537 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -11.511 -4.056 2.917 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.301 -3.024 5.523 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -11.952 -6.068 4.255 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.738 -5.037 6.860 1.00 0.00 H new ATOM 0 HH TYR A 78 -9.980 -6.844 7.128 1.00 0.00 H new ATOM 1150 N SER A 79 -9.702 1.141 4.066 1.00 0.00 N ATOM 1151 CA SER A 79 -9.129 2.453 3.788 1.00 0.00 C ATOM 1152 C SER A 79 -7.613 2.363 3.639 1.00 0.00 C ATOM 1153 O SER A 79 -6.898 2.093 4.604 1.00 0.00 O ATOM 1154 CB SER A 79 -9.486 3.435 4.904 1.00 0.00 C ATOM 1155 OG SER A 79 -8.538 3.378 5.956 1.00 0.00 O ATOM 0 H SER A 79 -9.823 0.935 5.058 1.00 0.00 H new ATOM 0 HA SER A 79 -9.548 2.814 2.849 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.528 4.447 4.502 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.478 3.205 5.292 1.00 0.00 H new ATOM 0 HG SER A 79 -7.633 3.411 5.583 1.00 0.00 H new ATOM 1161 N PHE A 80 -7.130 2.590 2.422 1.00 0.00 N ATOM 1162 CA PHE A 80 -5.699 2.534 2.145 1.00 0.00 C ATOM 1163 C PHE A 80 -5.101 3.937 2.092 1.00 0.00 C ATOM 1164 O PHE A 80 -5.791 4.907 1.778 1.00 0.00 O ATOM 1165 CB PHE A 80 -5.443 1.808 0.823 1.00 0.00 C ATOM 1166 CG PHE A 80 -5.848 0.362 0.845 1.00 0.00 C ATOM 1167 CD1 PHE A 80 -7.169 -0.004 0.641 1.00 0.00 C ATOM 1168 CD2 PHE A 80 -4.909 -0.631 1.069 1.00 0.00 C ATOM 1169 CE1 PHE A 80 -7.545 -1.334 0.662 1.00 0.00 C ATOM 1170 CE2 PHE A 80 -5.279 -1.963 1.090 1.00 0.00 C ATOM 1171 CZ PHE A 80 -6.598 -2.315 0.885 1.00 0.00 C ATOM 0 H PHE A 80 -7.708 2.814 1.612 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.218 1.983 2.953 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.986 2.317 0.027 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.383 1.876 0.580 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.913 0.758 0.464 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.875 -0.362 1.229 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.578 -1.606 0.504 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.537 -2.727 1.267 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.889 -3.355 0.899 1.00 0.00 H new ATOM 1181 N ARG A 81 -3.812 4.036 2.401 1.00 0.00 N ATOM 1182 CA ARG A 81 -3.120 5.319 2.391 1.00 0.00 C ATOM 1183 C ARG A 81 -1.762 5.198 1.706 1.00 0.00 C ATOM 1184 O ARG A 81 -1.370 4.117 1.266 1.00 0.00 O ATOM 1185 CB ARG A 81 -2.939 5.836 3.819 1.00 0.00 C ATOM 1186 CG ARG A 81 -4.105 6.675 4.316 1.00 0.00 C ATOM 1187 CD ARG A 81 -4.278 6.553 5.822 1.00 0.00 C ATOM 1188 NE ARG A 81 -3.256 7.298 6.552 1.00 0.00 N ATOM 1189 CZ ARG A 81 -3.417 7.745 7.792 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -4.554 7.523 8.438 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -2.440 8.415 8.390 1.00 0.00 N ATOM 0 H ARG A 81 -3.226 3.243 2.661 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.729 6.028 1.830 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.802 4.987 4.489 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.027 6.431 3.868 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -3.942 7.720 4.051 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.021 6.359 3.817 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.265 6.919 6.104 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.234 5.502 6.108 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.370 7.485 6.084 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.307 7.008 7.982 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.675 7.867 9.390 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.564 8.587 7.897 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.565 8.758 9.343 1.00 0.00 H new ATOM 1205 N LEU A 82 -1.048 6.315 1.620 1.00 0.00 N ATOM 1206 CA LEU A 82 0.267 6.336 0.988 1.00 0.00 C ATOM 1207 C LEU A 82 1.123 7.467 1.549 1.00 0.00 C ATOM 1208 O LEU A 82 0.614 8.536 1.886 1.00 0.00 O ATOM 1209 CB LEU A 82 0.124 6.492 -0.527 1.00 0.00 C ATOM 1210 CG LEU A 82 1.425 6.692 -1.307 1.00 0.00 C ATOM 1211 CD1 LEU A 82 2.264 5.424 -1.278 1.00 0.00 C ATOM 1212 CD2 LEU A 82 1.128 7.105 -2.741 1.00 0.00 C ATOM 0 H LEU A 82 -1.357 7.218 1.980 1.00 0.00 H new ATOM 0 HA LEU A 82 0.762 5.389 1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.378 5.607 -0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.529 7.342 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 82 1.994 7.490 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.185 5.585 -1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.506 5.171 -0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.703 4.606 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.065 7.243 -3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.539 6.328 -3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.568 8.040 -2.742 1.00 0.00 H new ATOM 1224 N ARG A 83 2.426 7.224 1.644 1.00 0.00 N ATOM 1225 CA ARG A 83 3.353 8.222 2.164 1.00 0.00 C ATOM 1226 C ARG A 83 4.766 7.976 1.642 1.00 0.00 C ATOM 1227 O ARG A 83 5.241 6.841 1.621 1.00 0.00 O ATOM 1228 CB ARG A 83 3.353 8.203 3.693 1.00 0.00 C ATOM 1229 CG ARG A 83 4.123 7.035 4.288 1.00 0.00 C ATOM 1230 CD ARG A 83 4.317 7.202 5.787 1.00 0.00 C ATOM 1231 NE ARG A 83 4.614 5.932 6.445 1.00 0.00 N ATOM 1232 CZ ARG A 83 4.991 5.833 7.715 1.00 0.00 C ATOM 1233 NH1 ARG A 83 5.114 6.923 8.460 1.00 0.00 N ATOM 1234 NH2 ARG A 83 5.244 4.642 8.242 1.00 0.00 N ATOM 0 H ARG A 83 2.864 6.345 1.368 1.00 0.00 H new ATOM 0 HA ARG A 83 3.022 9.202 1.820 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.783 9.135 4.059 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.323 8.166 4.047 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.588 6.106 4.090 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.095 6.952 3.801 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.130 7.905 5.971 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.417 7.635 6.223 1.00 0.00 H new ATOM 0 HE ARG A 83 4.527 5.074 5.900 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.919 7.840 8.058 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.404 6.844 9.435 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.149 3.801 7.672 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.533 4.567 9.217 1.00 0.00 H new ATOM 1248 N ALA A 84 5.431 9.047 1.221 1.00 0.00 N ATOM 1249 CA ALA A 84 6.789 8.947 0.700 1.00 0.00 C ATOM 1250 C ALA A 84 7.807 9.428 1.728 1.00 0.00 C ATOM 1251 O ALA A 84 7.481 10.211 2.620 1.00 0.00 O ATOM 1252 CB ALA A 84 6.920 9.745 -0.588 1.00 0.00 C ATOM 0 H ALA A 84 5.051 9.994 1.231 1.00 0.00 H new ATOM 0 HA ALA A 84 6.994 7.898 0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.939 9.661 -0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.224 9.354 -1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.691 10.792 -0.392 1.00 0.00 H new ATOM 1258 N ALA A 85 9.042 8.953 1.598 1.00 0.00 N ATOM 1259 CA ALA A 85 10.108 9.335 2.516 1.00 0.00 C ATOM 1260 C ALA A 85 11.383 9.690 1.758 1.00 0.00 C ATOM 1261 O ALA A 85 11.638 9.167 0.674 1.00 0.00 O ATOM 1262 CB ALA A 85 10.377 8.214 3.509 1.00 0.00 C ATOM 0 H ALA A 85 9.329 8.303 0.866 1.00 0.00 H new ATOM 0 HA ALA A 85 9.783 10.220 3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.175 8.513 4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.472 8.009 4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.677 7.315 2.970 1.00 0.00 H new ATOM 1268 N ASN A 86 12.179 10.584 2.335 1.00 0.00 N ATOM 1269 CA ASN A 86 13.428 11.010 1.713 1.00 0.00 C ATOM 1270 C ASN A 86 14.544 11.113 2.748 1.00 0.00 C ATOM 1271 O ASN A 86 14.358 10.766 3.915 1.00 0.00 O ATOM 1272 CB ASN A 86 13.239 12.358 1.014 1.00 0.00 C ATOM 1273 CG ASN A 86 12.553 13.379 1.902 1.00 0.00 C ATOM 1274 OD1 ASN A 86 12.463 13.200 3.116 1.00 0.00 O ATOM 1275 ND2 ASN A 86 12.066 14.456 1.297 1.00 0.00 N ATOM 0 H ASN A 86 11.982 11.028 3.232 1.00 0.00 H new ATOM 0 HA ASN A 86 13.711 10.261 0.974 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.211 12.744 0.705 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.650 12.215 0.108 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.594 15.177 1.842 1.00 0.00 H new ATOM 0 HD22 ASN A 86 12.164 14.562 0.287 1.00 0.00 H new ATOM 1282 N LYS A 87 15.704 11.592 2.313 1.00 0.00 N ATOM 1283 CA LYS A 87 16.851 11.744 3.200 1.00 0.00 C ATOM 1284 C LYS A 87 16.452 12.458 4.488 1.00 0.00 C ATOM 1285 O LYS A 87 17.158 12.383 5.494 1.00 0.00 O ATOM 1286 CB LYS A 87 17.966 12.521 2.498 1.00 0.00 C ATOM 1287 CG LYS A 87 17.512 13.852 1.924 1.00 0.00 C ATOM 1288 CD LYS A 87 18.580 14.472 1.039 1.00 0.00 C ATOM 1289 CE LYS A 87 18.514 15.991 1.066 1.00 0.00 C ATOM 1290 NZ LYS A 87 19.371 16.564 2.141 1.00 0.00 N ATOM 0 H LYS A 87 15.875 11.882 1.350 1.00 0.00 H new ATOM 0 HA LYS A 87 17.216 10.749 3.455 1.00 0.00 H new ATOM 0 HB2 LYS A 87 18.776 12.698 3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 87 18.374 11.908 1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.599 13.708 1.347 1.00 0.00 H new ATOM 0 HG3 LYS A 87 17.270 14.536 2.737 1.00 0.00 H new ATOM 0 HD2 LYS A 87 19.565 14.144 1.371 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.455 14.120 0.015 1.00 0.00 H new ATOM 0 HE2 LYS A 87 18.830 16.386 0.100 1.00 0.00 H new ATOM 0 HE3 LYS A 87 17.482 16.307 1.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 18.923 17.422 2.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 19.485 15.866 2.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 20.304 16.804 1.750 1.00 0.00 H new ATOM 1304 N MET A 88 15.317 13.148 4.449 1.00 0.00 N ATOM 1305 CA MET A 88 14.824 13.873 5.615 1.00 0.00 C ATOM 1306 C MET A 88 14.031 12.950 6.534 1.00 0.00 C ATOM 1307 O MET A 88 14.346 12.813 7.715 1.00 0.00 O ATOM 1308 CB MET A 88 13.951 15.050 5.178 1.00 0.00 C ATOM 1309 CG MET A 88 14.692 16.079 4.340 1.00 0.00 C ATOM 1310 SD MET A 88 16.021 16.889 5.251 1.00 0.00 S ATOM 1311 CE MET A 88 17.442 15.966 4.670 1.00 0.00 C ATOM 0 H MET A 88 14.722 13.221 3.624 1.00 0.00 H new ATOM 0 HA MET A 88 15.684 14.253 6.166 1.00 0.00 H new ATOM 0 HB2 MET A 88 13.104 14.671 4.607 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.545 15.539 6.064 1.00 0.00 H new ATOM 0 HG2 MET A 88 15.106 15.593 3.457 1.00 0.00 H new ATOM 0 HG3 MET A 88 13.986 16.832 3.988 1.00 0.00 H new ATOM 0 HE1 MET A 88 18.356 16.487 4.956 1.00 0.00 H new ATOM 0 HE2 MET A 88 17.436 14.971 5.115 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.400 15.878 3.584 1.00 0.00 H new ATOM 1321 N GLY A 89 12.998 12.318 5.983 1.00 0.00 N ATOM 1322 CA GLY A 89 12.176 11.416 6.768 1.00 0.00 C ATOM 1323 C GLY A 89 10.879 11.058 6.069 1.00 0.00 C ATOM 1324 O GLY A 89 10.738 11.263 4.864 1.00 0.00 O ATOM 0 H GLY A 89 12.716 12.415 5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.737 10.505 6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.952 11.878 7.730 1.00 0.00 H new ATOM 1328 N PHE A 90 9.930 10.518 6.827 1.00 0.00 N ATOM 1329 CA PHE A 90 8.639 10.127 6.273 1.00 0.00 C ATOM 1330 C PHE A 90 7.608 11.234 6.464 1.00 0.00 C ATOM 1331 O PHE A 90 7.400 11.720 7.575 1.00 0.00 O ATOM 1332 CB PHE A 90 8.147 8.837 6.932 1.00 0.00 C ATOM 1333 CG PHE A 90 8.636 7.591 6.250 1.00 0.00 C ATOM 1334 CD1 PHE A 90 9.876 7.057 6.559 1.00 0.00 C ATOM 1335 CD2 PHE A 90 7.855 6.954 5.299 1.00 0.00 C ATOM 1336 CE1 PHE A 90 10.328 5.911 5.933 1.00 0.00 C ATOM 1337 CE2 PHE A 90 8.301 5.807 4.669 1.00 0.00 C ATOM 1338 CZ PHE A 90 9.540 5.285 4.987 1.00 0.00 C ATOM 0 H PHE A 90 10.031 10.341 7.826 1.00 0.00 H new ATOM 0 HA PHE A 90 8.767 9.955 5.204 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.472 8.823 7.972 1.00 0.00 H new ATOM 0 HB3 PHE A 90 7.057 8.834 6.938 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.497 7.542 7.298 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.886 7.359 5.047 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.297 5.505 6.183 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.682 5.320 3.930 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.892 4.389 4.497 1.00 0.00 H new ATOM 1348 N GLY A 91 6.963 11.630 5.370 1.00 0.00 N ATOM 1349 CA GLY A 91 5.961 12.677 5.437 1.00 0.00 C ATOM 1350 C GLY A 91 4.586 12.143 5.785 1.00 0.00 C ATOM 1351 O GLY A 91 4.427 10.988 6.181 1.00 0.00 O ATOM 0 H GLY A 91 7.117 11.244 4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.260 13.414 6.182 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.915 13.193 4.478 1.00 0.00 H new ATOM 1355 N PRO A 92 3.561 12.996 5.638 1.00 0.00 N ATOM 1356 CA PRO A 92 2.174 12.625 5.936 1.00 0.00 C ATOM 1357 C PRO A 92 1.613 11.625 4.931 1.00 0.00 C ATOM 1358 O PRO A 92 2.166 11.444 3.845 1.00 0.00 O ATOM 1359 CB PRO A 92 1.423 13.956 5.842 1.00 0.00 C ATOM 1360 CG PRO A 92 2.250 14.793 4.928 1.00 0.00 C ATOM 1361 CD PRO A 92 3.677 14.387 5.171 1.00 0.00 C ATOM 0 HA PRO A 92 2.082 12.135 6.906 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.416 13.816 5.448 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.320 14.423 6.822 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.969 14.629 3.888 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.106 15.854 5.133 1.00 0.00 H new ATOM 0 HD2 PRO A 92 4.275 14.457 4.262 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.154 15.023 5.917 1.00 0.00 H new ATOM 1369 N PHE A 93 0.512 10.978 5.298 1.00 0.00 N ATOM 1370 CA PHE A 93 -0.124 9.995 4.428 1.00 0.00 C ATOM 1371 C PHE A 93 -1.103 10.669 3.472 1.00 0.00 C ATOM 1372 O PHE A 93 -1.530 11.801 3.698 1.00 0.00 O ATOM 1373 CB PHE A 93 -0.852 8.940 5.263 1.00 0.00 C ATOM 1374 CG PHE A 93 0.002 7.752 5.605 1.00 0.00 C ATOM 1375 CD1 PHE A 93 0.299 6.797 4.647 1.00 0.00 C ATOM 1376 CD2 PHE A 93 0.507 7.592 6.885 1.00 0.00 C ATOM 1377 CE1 PHE A 93 1.084 5.703 4.959 1.00 0.00 C ATOM 1378 CE2 PHE A 93 1.293 6.501 7.203 1.00 0.00 C ATOM 1379 CZ PHE A 93 1.581 5.554 6.239 1.00 0.00 C ATOM 0 H PHE A 93 0.041 11.117 6.192 1.00 0.00 H new ATOM 0 HA PHE A 93 0.654 9.509 3.840 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.207 9.400 6.185 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.732 8.600 4.717 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.087 6.908 3.645 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.284 8.328 7.643 1.00 0.00 H new ATOM 0 HE1 PHE A 93 1.309 4.965 4.203 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.682 6.389 8.204 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.193 4.699 6.486 1.00 0.00 H new ATOM 1389 N SER A 94 -1.455 9.964 2.401 1.00 0.00 N ATOM 1390 CA SER A 94 -2.381 10.494 1.407 1.00 0.00 C ATOM 1391 C SER A 94 -3.826 10.326 1.866 1.00 0.00 C ATOM 1392 O SER A 94 -4.085 9.888 2.987 1.00 0.00 O ATOM 1393 CB SER A 94 -2.176 9.793 0.063 1.00 0.00 C ATOM 1394 OG SER A 94 -2.621 8.448 0.116 1.00 0.00 O ATOM 0 H SER A 94 -1.113 9.024 2.200 1.00 0.00 H new ATOM 0 HA SER A 94 -2.177 11.558 1.288 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.718 10.328 -0.716 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.120 9.820 -0.207 1.00 0.00 H new ATOM 0 HG SER A 94 -3.596 8.422 0.019 1.00 0.00 H new ATOM 1400 N GLU A 95 -4.763 10.677 0.991 1.00 0.00 N ATOM 1401 CA GLU A 95 -6.182 10.566 1.307 1.00 0.00 C ATOM 1402 C GLU A 95 -6.599 9.103 1.433 1.00 0.00 C ATOM 1403 O GLU A 95 -6.365 8.299 0.531 1.00 0.00 O ATOM 1404 CB GLU A 95 -7.023 11.256 0.230 1.00 0.00 C ATOM 1405 CG GLU A 95 -6.770 12.750 0.126 1.00 0.00 C ATOM 1406 CD GLU A 95 -7.812 13.461 -0.717 1.00 0.00 C ATOM 1407 OE1 GLU A 95 -8.913 12.900 -0.897 1.00 0.00 O ATOM 1408 OE2 GLU A 95 -7.525 14.578 -1.196 1.00 0.00 O ATOM 0 H GLU A 95 -4.565 11.040 0.059 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.354 11.059 2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.815 10.793 -0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.079 11.089 0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.760 13.183 1.126 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.783 12.918 -0.305 1.00 0.00 H new ATOM 1415 N LYS A 96 -7.217 8.765 2.559 1.00 0.00 N ATOM 1416 CA LYS A 96 -7.668 7.400 2.805 1.00 0.00 C ATOM 1417 C LYS A 96 -8.654 6.951 1.732 1.00 0.00 C ATOM 1418 O LYS A 96 -9.803 7.393 1.707 1.00 0.00 O ATOM 1419 CB LYS A 96 -8.320 7.298 4.186 1.00 0.00 C ATOM 1420 CG LYS A 96 -9.142 8.518 4.563 1.00 0.00 C ATOM 1421 CD LYS A 96 -10.291 8.153 5.488 1.00 0.00 C ATOM 1422 CE LYS A 96 -11.476 9.088 5.301 1.00 0.00 C ATOM 1423 NZ LYS A 96 -11.368 10.298 6.163 1.00 0.00 N ATOM 0 H LYS A 96 -7.417 9.418 3.317 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.798 6.745 2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.961 6.417 4.212 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.543 7.149 4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.501 9.253 5.050 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.535 8.986 3.660 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.602 7.126 5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.953 8.195 6.523 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.538 9.391 4.256 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.399 8.557 5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.194 10.910 6.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.334 10.011 7.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.501 10.819 5.923 1.00 0.00 H new ATOM 1437 N CYS A 97 -8.198 6.070 0.848 1.00 0.00 N ATOM 1438 CA CYS A 97 -9.040 5.560 -0.228 1.00 0.00 C ATOM 1439 C CYS A 97 -9.776 4.298 0.210 1.00 0.00 C ATOM 1440 O CYS A 97 -9.174 3.374 0.757 1.00 0.00 O ATOM 1441 CB CYS A 97 -8.197 5.268 -1.470 1.00 0.00 C ATOM 1442 SG CYS A 97 -9.128 4.546 -2.841 1.00 0.00 S ATOM 0 H CYS A 97 -7.250 5.694 0.855 1.00 0.00 H new ATOM 0 HA CYS A 97 -9.778 6.324 -0.471 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -7.734 6.195 -1.808 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -7.389 4.589 -1.196 1.00 0.00 H new ATOM 0 HG CYS A 97 -8.330 4.337 -3.845 1.00 0.00 H new ATOM 1448 N ASP A 98 -11.082 4.267 -0.033 1.00 0.00 N ATOM 1449 CA ASP A 98 -11.901 3.118 0.336 1.00 0.00 C ATOM 1450 C ASP A 98 -12.012 2.134 -0.824 1.00 0.00 C ATOM 1451 O ASP A 98 -12.517 2.476 -1.894 1.00 0.00 O ATOM 1452 CB ASP A 98 -13.295 3.577 0.768 1.00 0.00 C ATOM 1453 CG ASP A 98 -14.261 3.669 -0.397 1.00 0.00 C ATOM 1454 OD1 ASP A 98 -14.225 4.687 -1.119 1.00 0.00 O ATOM 1455 OD2 ASP A 98 -15.052 2.721 -0.588 1.00 0.00 O ATOM 0 H ASP A 98 -11.596 5.024 -0.484 1.00 0.00 H new ATOM 0 HA ASP A 98 -11.418 2.612 1.172 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.690 2.882 1.509 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.220 4.551 1.252 1.00 0.00 H new ATOM 1460 N ILE A 99 -11.538 0.913 -0.605 1.00 0.00 N ATOM 1461 CA ILE A 99 -11.584 -0.120 -1.632 1.00 0.00 C ATOM 1462 C ILE A 99 -12.352 -1.345 -1.146 1.00 0.00 C ATOM 1463 O ILE A 99 -12.063 -1.891 -0.081 1.00 0.00 O ATOM 1464 CB ILE A 99 -10.169 -0.552 -2.060 1.00 0.00 C ATOM 1465 CG1 ILE A 99 -9.410 0.633 -2.660 1.00 0.00 C ATOM 1466 CG2 ILE A 99 -10.244 -1.699 -3.057 1.00 0.00 C ATOM 1467 CD1 ILE A 99 -8.009 0.287 -3.112 1.00 0.00 C ATOM 0 H ILE A 99 -11.117 0.614 0.275 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.099 0.312 -2.490 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.629 -0.897 -1.179 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.972 1.021 -3.510 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.358 1.432 -1.921 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.236 -1.993 -3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -10.751 -2.548 -2.598 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.799 -1.379 -3.939 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.531 1.174 -3.527 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.431 -0.073 -2.261 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.054 -0.490 -3.875 1.00 0.00 H new ATOM 1479 N THR A 100 -13.332 -1.774 -1.935 1.00 0.00 N ATOM 1480 CA THR A 100 -14.141 -2.935 -1.587 1.00 0.00 C ATOM 1481 C THR A 100 -13.598 -4.200 -2.240 1.00 0.00 C ATOM 1482 O THR A 100 -13.488 -4.282 -3.464 1.00 0.00 O ATOM 1483 CB THR A 100 -15.610 -2.742 -2.009 1.00 0.00 C ATOM 1484 OG1 THR A 100 -16.008 -1.384 -1.793 1.00 0.00 O ATOM 1485 CG2 THR A 100 -16.524 -3.675 -1.229 1.00 0.00 C ATOM 0 H THR A 100 -13.585 -1.334 -2.820 1.00 0.00 H new ATOM 0 HA THR A 100 -14.093 -3.041 -0.503 1.00 0.00 H new ATOM 0 HB THR A 100 -15.695 -2.980 -3.069 1.00 0.00 H new ATOM 0 HG1 THR A 100 -16.942 -1.270 -2.065 1.00 0.00 H new ATOM 0 HG21 THR A 100 -17.556 -3.521 -1.544 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.237 -4.709 -1.420 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.435 -3.465 -0.163 1.00 0.00 H new ATOM 1493 N THR A 101 -13.259 -5.187 -1.416 1.00 0.00 N ATOM 1494 CA THR A 101 -12.727 -6.449 -1.914 1.00 0.00 C ATOM 1495 C THR A 101 -13.782 -7.221 -2.697 1.00 0.00 C ATOM 1496 O THR A 101 -14.917 -6.767 -2.840 1.00 0.00 O ATOM 1497 CB THR A 101 -12.209 -7.333 -0.764 1.00 0.00 C ATOM 1498 OG1 THR A 101 -13.287 -7.675 0.115 1.00 0.00 O ATOM 1499 CG2 THR A 101 -11.117 -6.619 0.018 1.00 0.00 C ATOM 0 H THR A 101 -13.344 -5.136 -0.401 1.00 0.00 H new ATOM 0 HA THR A 101 -11.897 -6.202 -2.576 1.00 0.00 H new ATOM 0 HB THR A 101 -11.790 -8.242 -1.195 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.927 -7.927 0.991 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.767 -7.263 0.825 1.00 0.00 H new ATOM 0 HG22 THR A 101 -10.286 -6.387 -0.647 1.00 0.00 H new ATOM 0 HG23 THR A 101 -11.515 -5.695 0.438 1.00 0.00 H new ATOM 1507 N ALA A 102 -13.401 -8.390 -3.202 1.00 0.00 N ATOM 1508 CA ALA A 102 -14.317 -9.226 -3.969 1.00 0.00 C ATOM 1509 C ALA A 102 -15.278 -9.973 -3.050 1.00 0.00 C ATOM 1510 O ALA A 102 -14.953 -10.306 -1.910 1.00 0.00 O ATOM 1511 CB ALA A 102 -13.538 -10.207 -4.832 1.00 0.00 C ATOM 0 H ALA A 102 -12.465 -8.780 -3.094 1.00 0.00 H new ATOM 0 HA ALA A 102 -14.906 -8.578 -4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.234 -10.825 -5.399 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.897 -9.656 -5.521 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -12.924 -10.844 -4.195 1.00 0.00 H new ATOM 1517 N PRO A 103 -16.491 -10.243 -3.555 1.00 0.00 N ATOM 1518 CA PRO A 103 -17.524 -10.954 -2.795 1.00 0.00 C ATOM 1519 C PRO A 103 -17.178 -12.423 -2.581 1.00 0.00 C ATOM 1520 O PRO A 103 -17.964 -13.179 -2.011 1.00 0.00 O ATOM 1521 CB PRO A 103 -18.768 -10.820 -3.678 1.00 0.00 C ATOM 1522 CG PRO A 103 -18.235 -10.637 -5.057 1.00 0.00 C ATOM 1523 CD PRO A 103 -16.947 -9.876 -4.906 1.00 0.00 C ATOM 0 HA PRO A 103 -17.649 -10.543 -1.793 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -19.398 -11.707 -3.612 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -19.380 -9.971 -3.374 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -18.065 -11.599 -5.541 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -18.942 -10.088 -5.679 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -16.220 -10.161 -5.667 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -17.102 -8.801 -5.000 1.00 0.00 H new ATOM 1531 N GLY A 104 -15.996 -12.822 -3.041 1.00 0.00 N ATOM 1532 CA GLY A 104 -15.567 -14.200 -2.889 1.00 0.00 C ATOM 1533 C GLY A 104 -16.235 -15.128 -3.884 1.00 0.00 C ATOM 1534 O GLY A 104 -16.374 -14.792 -5.060 1.00 0.00 O ATOM 0 H GLY A 104 -15.328 -12.215 -3.516 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.486 -14.256 -3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.789 -14.537 -1.877 1.00 0.00 H new ATOM 1538 N SER A 105 -16.649 -16.299 -3.412 1.00 0.00 N ATOM 1539 CA SER A 105 -17.302 -17.282 -4.270 1.00 0.00 C ATOM 1540 C SER A 105 -18.748 -16.883 -4.550 1.00 0.00 C ATOM 1541 O SER A 105 -19.307 -16.020 -3.875 1.00 0.00 O ATOM 1542 CB SER A 105 -17.259 -18.666 -3.620 1.00 0.00 C ATOM 1543 OG SER A 105 -17.290 -19.690 -4.599 1.00 0.00 O ATOM 0 H SER A 105 -16.544 -16.591 -2.440 1.00 0.00 H new ATOM 0 HA SER A 105 -16.763 -17.317 -5.217 1.00 0.00 H new ATOM 0 HB2 SER A 105 -16.355 -18.761 -3.018 1.00 0.00 H new ATOM 0 HB3 SER A 105 -18.106 -18.780 -2.943 1.00 0.00 H new ATOM 0 HG SER A 105 -17.260 -20.565 -4.158 1.00 0.00 H new ATOM 1549 N GLY A 106 -19.347 -17.520 -5.551 1.00 0.00 N ATOM 1550 CA GLY A 106 -20.723 -17.219 -5.904 1.00 0.00 C ATOM 1551 C GLY A 106 -20.965 -17.282 -7.399 1.00 0.00 C ATOM 1552 O GLY A 106 -21.448 -18.282 -7.929 1.00 0.00 O ATOM 0 H GLY A 106 -18.905 -18.239 -6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -21.386 -17.923 -5.402 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -20.979 -16.224 -5.539 1.00 0.00 H new ATOM 1556 N PRO A 107 -20.627 -16.192 -8.103 1.00 0.00 N ATOM 1557 CA PRO A 107 -20.802 -16.102 -9.556 1.00 0.00 C ATOM 1558 C PRO A 107 -19.840 -17.011 -10.313 1.00 0.00 C ATOM 1559 O PRO A 107 -19.931 -17.148 -11.533 1.00 0.00 O ATOM 1560 CB PRO A 107 -20.501 -14.632 -9.859 1.00 0.00 C ATOM 1561 CG PRO A 107 -19.609 -14.192 -8.750 1.00 0.00 C ATOM 1562 CD PRO A 107 -20.046 -14.963 -7.536 1.00 0.00 C ATOM 0 HA PRO A 107 -21.797 -16.420 -9.868 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -20.014 -14.519 -10.828 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -21.415 -14.039 -9.891 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -18.564 -14.395 -8.986 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -19.695 -13.118 -8.582 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -19.207 -15.183 -6.876 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -20.777 -14.407 -6.948 1.00 0.00 H new ATOM 1570 N SER A 108 -18.918 -17.629 -9.582 1.00 0.00 N ATOM 1571 CA SER A 108 -17.937 -18.523 -10.186 1.00 0.00 C ATOM 1572 C SER A 108 -18.485 -19.943 -10.288 1.00 0.00 C ATOM 1573 O SER A 108 -18.477 -20.694 -9.312 1.00 0.00 O ATOM 1574 CB SER A 108 -16.643 -18.520 -9.370 1.00 0.00 C ATOM 1575 OG SER A 108 -15.871 -17.363 -9.641 1.00 0.00 O ATOM 0 H SER A 108 -18.830 -17.527 -8.571 1.00 0.00 H new ATOM 0 HA SER A 108 -17.724 -18.162 -11.192 1.00 0.00 H new ATOM 0 HB2 SER A 108 -16.880 -18.562 -8.307 1.00 0.00 H new ATOM 0 HB3 SER A 108 -16.061 -19.412 -9.602 1.00 0.00 H new ATOM 0 HG SER A 108 -15.050 -17.385 -9.106 1.00 0.00 H new ATOM 1581 N SER A 109 -18.959 -20.304 -11.476 1.00 0.00 N ATOM 1582 CA SER A 109 -19.515 -21.633 -11.705 1.00 0.00 C ATOM 1583 C SER A 109 -18.613 -22.447 -12.628 1.00 0.00 C ATOM 1584 O SER A 109 -18.717 -23.671 -12.694 1.00 0.00 O ATOM 1585 CB SER A 109 -20.917 -21.525 -12.308 1.00 0.00 C ATOM 1586 OG SER A 109 -20.905 -20.742 -13.489 1.00 0.00 O ATOM 0 H SER A 109 -18.969 -19.695 -12.295 1.00 0.00 H new ATOM 0 HA SER A 109 -19.579 -22.144 -10.744 1.00 0.00 H new ATOM 0 HB2 SER A 109 -21.298 -22.521 -12.532 1.00 0.00 H new ATOM 0 HB3 SER A 109 -21.596 -21.081 -11.580 1.00 0.00 H new ATOM 0 HG SER A 109 -21.812 -20.690 -13.856 1.00 0.00 H new ATOM 1592 N GLY A 110 -17.727 -21.756 -13.339 1.00 0.00 N ATOM 1593 CA GLY A 110 -16.819 -22.430 -14.249 1.00 0.00 C ATOM 1594 C GLY A 110 -17.454 -22.714 -15.596 1.00 0.00 C ATOM 1595 O GLY A 110 -18.339 -23.563 -15.706 1.00 0.00 O ATOM 0 H GLY A 110 -17.622 -20.742 -13.301 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -15.930 -21.816 -14.392 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -16.490 -23.368 -13.801 1.00 0.00 H new TER 1599 GLY A 110