USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 864 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 500 HECFE :(H bumps) USER MOD NoAdj-H: A 500 HEC HAC : A 500 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 500 HEC HAB : A 500 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 500 HEC H2D : A 500 HEC O2D : A 500 HEC CGD :(short bond) USER MOD Set 1.1: A 48 TYR OH : rot 180:sc= -4.48! USER MOD Set 1.2: A 500 HEC O2A : rot -116:sc= -0.735 USER MOD Set 2.1: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 80 MET CE :methyl -169:sc= 0 (180deg=-0.186) USER MOD Set 3.1: A 54 ASN : amide:sc= -2.72! C(o=-3.8!,f=-9.2!) USER MOD Set 3.2: A 55 LYS NZ :NH3+ -134:sc= -1.06 (180deg=-2.85!) USER MOD Set 4.1: A 46 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 19 THR OG1 : rot -160:sc= -1.97 USER MOD Set 5.2: A 31 ASN : amide:sc= -5.15! C(o=-7.1!,f=-12!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -159:sc= -0.112 (180deg=-0.808) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.267) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -140:sc= -2.78! (180deg=-5.92!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 22 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.506) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -3.11! C(o=-3.1!,f=-3.8!) USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0237) USER MOD Single : A 28 THR OG1 : rot 117:sc= 0.81 USER MOD Single : A 33 HIS : no HD1:sc= -2.55! C(o=-2.5!,f=-2.3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 65:sc= -0.49 USER MOD Single : A 42 GLN : amide:sc= -1.17 X(o=-1.2,f=-1.2) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 52 ASN : amide:sc= -2.43 K(o=-2.4,f=-1) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 78:sc= -1.28 USER MOD Single : A 65 MET CE :methyl -163:sc= -0.658 (180deg=-1.48) USER MOD Single : A 70 ASN : amide:sc= -0.869 K(o=-0.87,f=-2.4) USER MOD Single : A 72 LYS NZ :NH3+ 167:sc= -0.0158 (180deg=-0.233) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 150:sc= -2.46! USER MOD Single : A 78 THR OG1 : rot 156:sc= -1.99! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.607) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -162:sc= -0.078 (180deg=-0.805) USER MOD Single : A 100 LYS NZ :NH3+ -179:sc= 0 (180deg=-2.93e-05) USER MOD Single : A 102 THR OG1 : rot -84:sc= 1.2 USER MOD Single : A 103 ASN : amide:sc= -0.0266 K(o=-0.027,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.156 1.677 -1.911 1.00 24.45 N ATOM 2 CA GLY A 1 2.098 0.967 -2.760 1.00 4.32 C ATOM 3 C GLY A 1 1.745 -0.519 -2.848 1.00 34.12 C ATOM 4 O GLY A 1 1.952 -1.268 -1.894 1.00 52.20 O ATOM 0 H1 GLY A 1 1.417 2.683 -1.868 1.00 24.45 H new ATOM 0 H2 GLY A 1 0.197 1.585 -2.303 1.00 24.45 H new ATOM 0 H3 GLY A 1 1.178 1.272 -0.953 1.00 24.45 H new ATOM 0 HA2 GLY A 1 2.095 1.405 -3.758 1.00 4.32 H new ATOM 0 HA3 GLY A 1 3.107 1.082 -2.365 1.00 4.32 H new ATOM 8 N ASP A 2 1.218 -0.903 -4.002 1.00 42.55 N ATOM 9 CA ASP A 2 0.835 -2.287 -4.226 1.00 3.31 C ATOM 10 C ASP A 2 2.092 -3.127 -4.463 1.00 4.41 C ATOM 11 O ASP A 2 3.206 -2.607 -4.432 1.00 51.34 O ATOM 12 CB ASP A 2 -0.060 -2.417 -5.460 1.00 52.41 C ATOM 13 CG ASP A 2 -1.014 -3.613 -5.444 1.00 63.04 C ATOM 14 OD1 ASP A 2 -0.689 -4.695 -5.956 1.00 4.01 O ATOM 15 OD2 ASP A 2 -2.148 -3.398 -4.868 1.00 63.42 O1- ATOM 0 H ASP A 2 1.047 -0.280 -4.791 1.00 42.55 H new ATOM 0 HA ASP A 2 0.291 -2.634 -3.347 1.00 3.31 H new ATOM 0 HB2 ASP A 2 -0.647 -1.504 -5.562 1.00 52.41 H new ATOM 0 HB3 ASP A 2 0.574 -2.489 -6.344 1.00 52.41 H new ATOM 21 N VAL A 3 1.869 -4.414 -4.693 1.00 75.13 N ATOM 22 CA VAL A 3 2.970 -5.331 -4.933 1.00 75.34 C ATOM 23 C VAL A 3 2.945 -5.776 -6.398 1.00 13.43 C ATOM 24 O VAL A 3 3.961 -5.705 -7.088 1.00 74.44 O ATOM 25 CB VAL A 3 2.899 -6.502 -3.952 1.00 52.14 C ATOM 26 CG1 VAL A 3 1.449 -6.814 -3.574 1.00 34.45 C ATOM 27 CG2 VAL A 3 3.594 -7.740 -4.523 1.00 44.44 C ATOM 0 H VAL A 3 0.943 -4.842 -4.718 1.00 75.13 H new ATOM 0 HA VAL A 3 3.925 -4.836 -4.758 1.00 75.34 H new ATOM 0 HB VAL A 3 3.427 -6.210 -3.044 1.00 52.14 H new ATOM 0 HG11 VAL A 3 1.427 -7.651 -2.876 1.00 34.45 H new ATOM 0 HG12 VAL A 3 0.999 -5.939 -3.106 1.00 34.45 H new ATOM 0 HG13 VAL A 3 0.887 -7.075 -4.471 1.00 34.45 H new ATOM 0 HG21 VAL A 3 3.529 -8.558 -3.805 1.00 44.44 H new ATOM 0 HG22 VAL A 3 3.107 -8.034 -5.453 1.00 44.44 H new ATOM 0 HG23 VAL A 3 4.642 -7.512 -4.718 1.00 44.44 H new ATOM 37 N GLU A 4 1.775 -6.225 -6.827 1.00 51.25 N ATOM 38 CA GLU A 4 1.606 -6.681 -8.196 1.00 54.55 C ATOM 39 C GLU A 4 2.205 -5.666 -9.172 1.00 41.14 C ATOM 40 O GLU A 4 2.794 -6.045 -10.183 1.00 54.03 O ATOM 41 CB GLU A 4 0.131 -6.938 -8.509 1.00 30.12 C ATOM 42 CG GLU A 4 -0.290 -8.339 -8.060 1.00 30.34 C ATOM 43 CD GLU A 4 0.061 -9.383 -9.121 1.00 64.34 C ATOM 44 OE1 GLU A 4 1.226 -9.480 -9.536 1.00 52.43 O ATOM 45 OE2 GLU A 4 -0.928 -10.113 -9.515 1.00 73.12 O1- ATOM 0 H GLU A 4 0.935 -6.283 -6.251 1.00 51.25 H new ATOM 0 HA GLU A 4 2.139 -7.625 -8.312 1.00 54.55 H new ATOM 0 HB2 GLU A 4 -0.486 -6.191 -8.009 1.00 30.12 H new ATOM 0 HB3 GLU A 4 -0.041 -6.828 -9.580 1.00 30.12 H new ATOM 0 HG2 GLU A 4 0.205 -8.588 -7.122 1.00 30.34 H new ATOM 0 HG3 GLU A 4 -1.363 -8.356 -7.869 1.00 30.34 H new ATOM 53 N LYS A 5 2.033 -4.396 -8.834 1.00 75.51 N ATOM 54 CA LYS A 5 2.550 -3.324 -9.668 1.00 13.03 C ATOM 55 C LYS A 5 4.078 -3.391 -9.689 1.00 44.51 C ATOM 56 O LYS A 5 4.703 -3.090 -10.705 1.00 62.31 O ATOM 57 CB LYS A 5 2.000 -1.973 -9.205 1.00 32.11 C ATOM 58 CG LYS A 5 0.573 -1.759 -9.715 1.00 40.51 C ATOM 59 CD LYS A 5 -0.306 -2.973 -9.412 1.00 51.43 C ATOM 60 CE LYS A 5 -1.755 -2.721 -9.834 1.00 34.33 C ATOM 61 NZ LYS A 5 -2.236 -1.431 -9.292 1.00 61.11 N1+ ATOM 0 H LYS A 5 1.543 -4.086 -7.995 1.00 75.51 H new ATOM 0 HA LYS A 5 2.211 -3.445 -10.697 1.00 13.03 H new ATOM 0 HB2 LYS A 5 2.012 -1.925 -8.116 1.00 32.11 H new ATOM 0 HB3 LYS A 5 2.644 -1.171 -9.566 1.00 32.11 H new ATOM 0 HG2 LYS A 5 0.146 -0.871 -9.249 1.00 40.51 H new ATOM 0 HG3 LYS A 5 0.591 -1.578 -10.790 1.00 40.51 H new ATOM 0 HD2 LYS A 5 0.082 -3.847 -9.935 1.00 51.43 H new ATOM 0 HD3 LYS A 5 -0.268 -3.197 -8.346 1.00 51.43 H new ATOM 0 HE2 LYS A 5 -1.827 -2.715 -10.922 1.00 34.33 H new ATOM 0 HE3 LYS A 5 -2.390 -3.532 -9.477 1.00 34.33 H new ATOM 0 HZ1 LYS A 5 -3.276 -1.430 -9.270 1.00 61.11 H new ATOM 0 HZ2 LYS A 5 -1.869 -1.301 -8.328 1.00 61.11 H new ATOM 0 HZ3 LYS A 5 -1.902 -0.654 -9.897 1.00 61.11 H new ATOM 74 N GLY A 6 4.637 -3.789 -8.555 1.00 33.14 N ATOM 75 CA GLY A 6 6.080 -3.898 -8.431 1.00 41.25 C ATOM 76 C GLY A 6 6.556 -5.306 -8.796 1.00 61.35 C ATOM 77 O GLY A 6 7.753 -5.540 -8.955 1.00 72.04 O ATOM 0 H GLY A 6 4.116 -4.040 -7.715 1.00 33.14 H new ATOM 0 HA2 GLY A 6 6.561 -3.167 -9.082 1.00 41.25 H new ATOM 0 HA3 GLY A 6 6.380 -3.662 -7.410 1.00 41.25 H new ATOM 81 N LYS A 7 5.594 -6.208 -8.920 1.00 54.25 N ATOM 82 CA LYS A 7 5.899 -7.587 -9.264 1.00 13.43 C ATOM 83 C LYS A 7 6.220 -7.675 -10.758 1.00 11.22 C ATOM 84 O LYS A 7 6.881 -8.615 -11.199 1.00 40.24 O ATOM 85 CB LYS A 7 4.764 -8.513 -8.822 1.00 12.01 C ATOM 86 CG LYS A 7 5.217 -9.975 -8.827 1.00 61.14 C ATOM 87 CD LYS A 7 4.532 -10.763 -7.708 1.00 21.42 C ATOM 88 CE LYS A 7 4.424 -12.246 -8.071 1.00 53.44 C ATOM 89 NZ LYS A 7 3.337 -12.891 -7.299 1.00 74.43 N1+ ATOM 0 H LYS A 7 4.602 -6.011 -8.788 1.00 54.25 H new ATOM 0 HA LYS A 7 6.784 -7.928 -8.727 1.00 13.43 H new ATOM 0 HB2 LYS A 7 4.431 -8.235 -7.822 1.00 12.01 H new ATOM 0 HB3 LYS A 7 3.910 -8.391 -9.488 1.00 12.01 H new ATOM 0 HG2 LYS A 7 4.985 -10.428 -9.791 1.00 61.14 H new ATOM 0 HG3 LYS A 7 6.299 -10.025 -8.703 1.00 61.14 H new ATOM 0 HD2 LYS A 7 5.096 -10.651 -6.782 1.00 21.42 H new ATOM 0 HD3 LYS A 7 3.537 -10.355 -7.527 1.00 21.42 H new ATOM 0 HE2 LYS A 7 4.232 -12.352 -9.139 1.00 53.44 H new ATOM 0 HE3 LYS A 7 5.370 -12.747 -7.866 1.00 53.44 H new ATOM 0 HZ1 LYS A 7 3.277 -13.897 -7.557 1.00 74.43 H new ATOM 0 HZ2 LYS A 7 3.536 -12.806 -6.282 1.00 74.43 H new ATOM 0 HZ3 LYS A 7 2.433 -12.424 -7.515 1.00 74.43 H new ATOM 102 N LYS A 8 5.736 -6.687 -11.494 1.00 45.33 N ATOM 103 CA LYS A 8 5.963 -6.641 -12.928 1.00 12.01 C ATOM 104 C LYS A 8 7.202 -5.792 -13.218 1.00 54.24 C ATOM 105 O LYS A 8 7.822 -5.931 -14.271 1.00 40.24 O ATOM 106 CB LYS A 8 4.705 -6.162 -13.655 1.00 14.42 C ATOM 107 CG LYS A 8 3.509 -7.059 -13.330 1.00 34.03 C ATOM 108 CD LYS A 8 3.776 -8.504 -13.757 1.00 33.34 C ATOM 109 CE LYS A 8 2.470 -9.296 -13.858 1.00 60.43 C ATOM 110 NZ LYS A 8 1.669 -9.133 -12.624 1.00 31.43 N1+ ATOM 0 H LYS A 8 5.187 -5.911 -11.124 1.00 45.33 H new ATOM 0 HA LYS A 8 6.164 -7.641 -13.313 1.00 12.01 H new ATOM 0 HB2 LYS A 8 4.483 -5.135 -13.366 1.00 14.42 H new ATOM 0 HB3 LYS A 8 4.881 -6.160 -14.731 1.00 14.42 H new ATOM 0 HG2 LYS A 8 3.304 -7.024 -12.260 1.00 34.03 H new ATOM 0 HG3 LYS A 8 2.620 -6.684 -13.838 1.00 34.03 H new ATOM 0 HD2 LYS A 8 4.287 -8.514 -14.720 1.00 33.34 H new ATOM 0 HD3 LYS A 8 4.441 -8.983 -13.038 1.00 33.34 H new ATOM 0 HE2 LYS A 8 1.896 -8.954 -14.719 1.00 60.43 H new ATOM 0 HE3 LYS A 8 2.689 -10.351 -14.020 1.00 60.43 H new ATOM 0 HZ1 LYS A 8 0.936 -9.869 -12.586 1.00 31.43 H new ATOM 0 HZ2 LYS A 8 2.289 -9.219 -11.794 1.00 31.43 H new ATOM 0 HZ3 LYS A 8 1.219 -8.196 -12.624 1.00 31.43 H new ATOM 123 N ILE A 9 7.526 -4.930 -12.265 1.00 72.22 N ATOM 124 CA ILE A 9 8.679 -4.058 -12.404 1.00 63.35 C ATOM 125 C ILE A 9 9.908 -4.745 -11.804 1.00 74.32 C ATOM 126 O ILE A 9 11.040 -4.345 -12.071 1.00 34.45 O ATOM 127 CB ILE A 9 8.388 -2.683 -11.801 1.00 33.41 C ATOM 128 CG1 ILE A 9 7.281 -1.967 -12.578 1.00 13.20 C ATOM 129 CG2 ILE A 9 9.662 -1.841 -11.712 1.00 10.42 C ATOM 130 CD1 ILE A 9 6.436 -1.093 -11.650 1.00 3.44 C ATOM 0 H ILE A 9 7.009 -4.817 -11.393 1.00 72.22 H new ATOM 0 HA ILE A 9 8.895 -3.879 -13.457 1.00 63.35 H new ATOM 0 HB ILE A 9 8.026 -2.827 -10.783 1.00 33.41 H new ATOM 0 HG12 ILE A 9 7.722 -1.351 -13.362 1.00 13.20 H new ATOM 0 HG13 ILE A 9 6.644 -2.702 -13.071 1.00 13.20 H new ATOM 0 HG21 ILE A 9 9.426 -0.869 -11.280 1.00 10.42 H new ATOM 0 HG22 ILE A 9 10.392 -2.350 -11.083 1.00 10.42 H new ATOM 0 HG23 ILE A 9 10.077 -1.703 -12.710 1.00 10.42 H new ATOM 0 HD11 ILE A 9 5.657 -0.596 -12.228 1.00 3.44 H new ATOM 0 HD12 ILE A 9 5.977 -1.716 -10.882 1.00 3.44 H new ATOM 0 HD13 ILE A 9 7.071 -0.344 -11.178 1.00 3.44 H new ATOM 142 N PHE A 10 9.642 -5.766 -11.002 1.00 22.51 N ATOM 143 CA PHE A 10 10.712 -6.512 -10.362 1.00 30.30 C ATOM 144 C PHE A 10 11.255 -7.600 -11.290 1.00 54.03 C ATOM 145 O PHE A 10 12.419 -7.985 -11.188 1.00 62.33 O ATOM 146 CB PHE A 10 10.115 -7.171 -9.117 1.00 71.01 C ATOM 147 CG PHE A 10 10.943 -8.338 -8.573 1.00 62.01 C ATOM 148 CD1 PHE A 10 11.980 -8.098 -7.726 1.00 53.24 C ATOM 149 CD2 PHE A 10 10.642 -9.613 -8.935 1.00 65.44 C ATOM 150 CE1 PHE A 10 12.748 -9.180 -7.221 1.00 45.31 C ATOM 151 CE2 PHE A 10 11.410 -10.695 -8.430 1.00 63.41 C ATOM 152 CZ PHE A 10 12.447 -10.456 -7.583 1.00 72.24 C ATOM 0 H PHE A 10 8.702 -6.094 -10.781 1.00 22.51 H new ATOM 0 HA PHE A 10 11.535 -5.842 -10.113 1.00 30.30 H new ATOM 0 HB2 PHE A 10 10.009 -6.419 -8.336 1.00 71.01 H new ATOM 0 HB3 PHE A 10 9.113 -7.529 -9.353 1.00 71.01 H new ATOM 0 HD1 PHE A 10 12.219 -7.085 -7.438 1.00 53.24 H new ATOM 0 HD2 PHE A 10 9.818 -9.803 -9.607 1.00 65.44 H new ATOM 0 HE1 PHE A 10 13.572 -8.990 -6.549 1.00 45.31 H new ATOM 0 HE2 PHE A 10 11.171 -11.708 -8.718 1.00 63.41 H new ATOM 0 HZ PHE A 10 13.031 -11.279 -7.198 1.00 72.24 H new ATOM 162 N ILE A 11 10.386 -8.065 -12.176 1.00 5.51 N ATOM 163 CA ILE A 11 10.764 -9.101 -13.122 1.00 1.20 C ATOM 164 C ILE A 11 11.452 -8.459 -14.328 1.00 50.30 C ATOM 165 O ILE A 11 12.651 -8.636 -14.529 1.00 63.10 O ATOM 166 CB ILE A 11 9.550 -9.957 -13.490 1.00 12.30 C ATOM 167 CG1 ILE A 11 9.070 -10.774 -12.289 1.00 73.50 C ATOM 168 CG2 ILE A 11 9.851 -10.843 -14.701 1.00 74.44 C ATOM 169 CD1 ILE A 11 7.905 -11.687 -12.677 1.00 31.21 C ATOM 0 H ILE A 11 9.422 -7.743 -12.258 1.00 5.51 H new ATOM 0 HA ILE A 11 11.484 -9.785 -12.672 1.00 1.20 H new ATOM 0 HB ILE A 11 8.735 -9.290 -13.772 1.00 12.30 H new ATOM 0 HG12 ILE A 11 9.893 -11.374 -11.900 1.00 73.50 H new ATOM 0 HG13 ILE A 11 8.759 -10.102 -11.489 1.00 73.50 H new ATOM 0 HG21 ILE A 11 8.972 -11.441 -14.942 1.00 74.44 H new ATOM 0 HG22 ILE A 11 10.109 -10.217 -15.555 1.00 74.44 H new ATOM 0 HG23 ILE A 11 10.687 -11.503 -14.470 1.00 74.44 H new ATOM 0 HD11 ILE A 11 7.583 -12.256 -11.805 1.00 31.21 H new ATOM 0 HD12 ILE A 11 7.075 -11.082 -13.042 1.00 31.21 H new ATOM 0 HD13 ILE A 11 8.226 -12.373 -13.460 1.00 31.21 H new ATOM 181 N MET A 12 10.662 -7.725 -15.098 1.00 24.33 N ATOM 182 CA MET A 12 11.180 -7.054 -16.279 1.00 1.20 C ATOM 183 C MET A 12 12.588 -6.511 -16.027 1.00 33.53 C ATOM 184 O MET A 12 13.398 -6.427 -16.949 1.00 42.35 O ATOM 185 CB MET A 12 10.249 -5.902 -16.662 1.00 60.40 C ATOM 186 CG MET A 12 9.111 -6.392 -17.560 1.00 23.04 C ATOM 187 SD MET A 12 9.758 -6.894 -19.146 1.00 15.25 S ATOM 188 CE MET A 12 9.685 -5.338 -20.017 1.00 65.42 C ATOM 0 H MET A 12 9.667 -7.580 -14.927 1.00 24.33 H new ATOM 0 HA MET A 12 11.230 -7.778 -17.093 1.00 1.20 H new ATOM 0 HB2 MET A 12 9.836 -5.448 -15.761 1.00 60.40 H new ATOM 0 HB3 MET A 12 10.816 -5.127 -17.178 1.00 60.40 H new ATOM 0 HG2 MET A 12 8.597 -7.229 -17.086 1.00 23.04 H new ATOM 0 HG3 MET A 12 8.374 -5.600 -17.693 1.00 23.04 H new ATOM 0 HE1 MET A 12 10.056 -5.472 -21.033 1.00 65.42 H new ATOM 0 HE2 MET A 12 8.653 -4.988 -20.050 1.00 65.42 H new ATOM 0 HE3 MET A 12 10.301 -4.602 -19.500 1.00 65.42 H new ATOM 198 N LYS A 13 12.836 -6.157 -14.775 1.00 62.15 N ATOM 199 CA LYS A 13 14.132 -5.624 -14.391 1.00 62.04 C ATOM 200 C LYS A 13 14.943 -6.719 -13.696 1.00 3.45 C ATOM 201 O LYS A 13 16.013 -7.098 -14.169 1.00 2.42 O ATOM 202 CB LYS A 13 13.962 -4.356 -13.549 1.00 42.23 C ATOM 203 CG LYS A 13 13.906 -3.112 -14.438 1.00 64.41 C ATOM 204 CD LYS A 13 13.098 -1.997 -13.770 1.00 24.41 C ATOM 205 CE LYS A 13 13.939 -1.261 -12.726 1.00 3.12 C ATOM 206 NZ LYS A 13 14.664 -0.130 -13.348 1.00 43.44 N1+ ATOM 0 H LYS A 13 12.162 -6.229 -14.013 1.00 62.15 H new ATOM 0 HA LYS A 13 14.696 -5.320 -15.273 1.00 62.04 H new ATOM 0 HB2 LYS A 13 13.049 -4.427 -12.958 1.00 42.23 H new ATOM 0 HB3 LYS A 13 14.790 -4.268 -12.846 1.00 42.23 H new ATOM 0 HG2 LYS A 13 14.917 -2.761 -14.642 1.00 64.41 H new ATOM 0 HG3 LYS A 13 13.457 -3.366 -15.398 1.00 64.41 H new ATOM 0 HD2 LYS A 13 12.751 -1.292 -14.525 1.00 24.41 H new ATOM 0 HD3 LYS A 13 12.212 -2.419 -13.296 1.00 24.41 H new ATOM 0 HE2 LYS A 13 13.296 -0.893 -11.926 1.00 3.12 H new ATOM 0 HE3 LYS A 13 14.650 -1.951 -12.271 1.00 3.12 H new ATOM 0 HZ1 LYS A 13 15.624 -0.074 -12.953 1.00 43.44 H new ATOM 0 HZ2 LYS A 13 14.721 -0.277 -14.376 1.00 43.44 H new ATOM 0 HZ3 LYS A 13 14.157 0.757 -13.153 1.00 43.44 H new ATOM 219 N CYS A 14 14.402 -7.196 -12.585 1.00 12.24 N ATOM 220 CA CYS A 14 15.063 -8.241 -11.820 1.00 32.54 C ATOM 221 C CYS A 14 14.402 -9.577 -12.163 1.00 32.32 C ATOM 222 O CYS A 14 13.758 -10.191 -11.315 1.00 22.25 O ATOM 223 CB CYS A 14 15.023 -7.953 -10.318 1.00 14.53 C ATOM 224 SG CYS A 14 14.996 -6.177 -9.877 1.00 23.33 S ATOM 0 H CYS A 14 13.514 -6.879 -12.196 1.00 12.24 H new ATOM 0 HA CYS A 14 16.119 -8.280 -12.088 1.00 32.54 H new ATOM 0 HB2 CYS A 14 14.140 -8.432 -9.894 1.00 14.53 H new ATOM 0 HB3 CYS A 14 15.892 -8.416 -9.850 1.00 14.53 H new ATOM 229 N SER A 15 14.587 -9.990 -13.409 1.00 63.31 N ATOM 230 CA SER A 15 14.017 -11.242 -13.874 1.00 52.21 C ATOM 231 C SER A 15 15.115 -12.302 -13.999 1.00 14.32 C ATOM 232 O SER A 15 16.247 -11.988 -14.362 1.00 24.42 O ATOM 233 CB SER A 15 13.302 -11.059 -15.214 1.00 24.11 C ATOM 234 OG SER A 15 13.310 -12.252 -15.992 1.00 62.04 O ATOM 0 H SER A 15 15.124 -9.479 -14.110 1.00 63.31 H new ATOM 0 HA SER A 15 13.280 -11.574 -13.143 1.00 52.21 H new ATOM 0 HB2 SER A 15 12.272 -10.750 -15.036 1.00 24.11 H new ATOM 0 HB3 SER A 15 13.783 -10.258 -15.775 1.00 24.11 H new ATOM 0 HG SER A 15 12.843 -12.094 -16.839 1.00 62.04 H new ATOM 240 N GLN A 16 14.739 -13.535 -13.692 1.00 3.25 N ATOM 241 CA GLN A 16 15.677 -14.642 -13.766 1.00 0.11 C ATOM 242 C GLN A 16 17.056 -14.203 -13.269 1.00 64.21 C ATOM 243 O GLN A 16 18.078 -14.671 -13.769 1.00 52.24 O ATOM 244 CB GLN A 16 15.758 -15.199 -15.188 1.00 55.01 C ATOM 245 CG GLN A 16 14.439 -15.857 -15.596 1.00 51.45 C ATOM 246 CD GLN A 16 14.521 -16.413 -17.019 1.00 65.25 C ATOM 247 OE1 GLN A 16 15.586 -16.682 -17.548 1.00 12.42 O ATOM 248 NE2 GLN A 16 13.338 -16.569 -17.608 1.00 43.12 N ATOM 0 H GLN A 16 13.799 -13.791 -13.392 1.00 3.25 H new ATOM 0 HA GLN A 16 15.317 -15.442 -13.119 1.00 0.11 H new ATOM 0 HB2 GLN A 16 15.998 -14.395 -15.884 1.00 55.01 H new ATOM 0 HB3 GLN A 16 16.567 -15.927 -15.251 1.00 55.01 H new ATOM 0 HG2 GLN A 16 14.199 -16.661 -14.901 1.00 51.45 H new ATOM 0 HG3 GLN A 16 13.630 -15.129 -15.532 1.00 51.45 H new ATOM 0 HE21 GLN A 16 12.483 -16.324 -17.108 1.00 43.12 H new ATOM 0 HE22 GLN A 16 13.286 -16.934 -18.559 1.00 43.12 H new ATOM 257 N CYS A 17 17.041 -13.311 -12.289 1.00 41.41 N ATOM 258 CA CYS A 17 18.278 -12.805 -11.719 1.00 75.41 C ATOM 259 C CYS A 17 18.155 -12.842 -10.194 1.00 51.53 C ATOM 260 O CYS A 17 18.818 -13.640 -9.534 1.00 52.44 O ATOM 261 CB CYS A 17 18.603 -11.400 -12.231 1.00 31.53 C ATOM 262 SG CYS A 17 19.595 -11.353 -13.767 1.00 22.31 S ATOM 0 H CYS A 17 16.192 -12.926 -11.875 1.00 41.41 H new ATOM 0 HA CYS A 17 19.110 -13.436 -12.031 1.00 75.41 H new ATOM 0 HB2 CYS A 17 17.668 -10.866 -12.402 1.00 31.53 H new ATOM 0 HB3 CYS A 17 19.140 -10.860 -11.452 1.00 31.53 H new ATOM 267 N HIS A 18 17.300 -11.971 -9.680 1.00 64.33 N ATOM 268 CA HIS A 18 17.081 -11.894 -8.245 1.00 50.04 C ATOM 269 C HIS A 18 15.820 -12.676 -7.876 1.00 45.23 C ATOM 270 O HIS A 18 14.712 -12.280 -8.234 1.00 13.43 O ATOM 271 CB HIS A 18 17.034 -10.438 -7.780 1.00 30.21 C ATOM 272 CG HIS A 18 18.392 -9.830 -7.524 1.00 12.01 C ATOM 273 ND1 HIS A 18 19.193 -10.205 -6.460 1.00 53.33 N ATOM 274 CD2 HIS A 18 19.082 -8.871 -8.206 1.00 63.45 C ATOM 275 CE1 HIS A 18 20.312 -9.497 -6.508 1.00 1.34 C ATOM 276 NE2 HIS A 18 20.241 -8.670 -7.591 1.00 4.41 N ATOM 0 H HIS A 18 16.750 -11.312 -10.231 1.00 64.33 H new ATOM 0 HA HIS A 18 17.918 -12.355 -7.720 1.00 50.04 H new ATOM 0 HB2 HIS A 18 16.517 -9.843 -8.533 1.00 30.21 H new ATOM 0 HB3 HIS A 18 16.443 -10.378 -6.866 1.00 30.21 H new ATOM 0 HD1 HIS A 18 18.961 -10.907 -5.758 1.00 53.33 H new ATOM 0 HD2 HIS A 18 18.743 -8.362 -9.096 1.00 63.45 H new ATOM 0 HE1 HIS A 18 21.135 -9.563 -5.812 1.00 1.34 H new ATOM 284 N THR A 19 16.029 -13.774 -7.165 1.00 3.13 N ATOM 285 CA THR A 19 14.923 -14.616 -6.742 1.00 10.30 C ATOM 286 C THR A 19 14.361 -14.128 -5.406 1.00 53.54 C ATOM 287 O THR A 19 15.015 -13.369 -4.693 1.00 63.55 O ATOM 288 CB THR A 19 15.417 -16.062 -6.702 1.00 22.40 C ATOM 289 OG1 THR A 19 16.738 -15.963 -6.176 1.00 12.31 O ATOM 290 CG2 THR A 19 15.617 -16.653 -8.099 1.00 53.02 C ATOM 0 H THR A 19 16.949 -14.100 -6.871 1.00 3.13 H new ATOM 0 HA THR A 19 14.093 -14.561 -7.447 1.00 10.30 H new ATOM 0 HB THR A 19 14.704 -16.673 -6.148 1.00 22.40 H new ATOM 0 HG1 THR A 19 17.242 -16.772 -6.404 1.00 12.31 H new ATOM 0 HG21 THR A 19 15.968 -17.681 -8.012 1.00 53.02 H new ATOM 0 HG22 THR A 19 14.671 -16.637 -8.640 1.00 53.02 H new ATOM 0 HG23 THR A 19 16.355 -16.062 -8.642 1.00 53.02 H new ATOM 298 N VAL A 20 13.153 -14.584 -5.105 1.00 23.12 N ATOM 299 CA VAL A 20 12.496 -14.203 -3.867 1.00 24.13 C ATOM 300 C VAL A 20 11.855 -15.440 -3.234 1.00 41.42 C ATOM 301 O VAL A 20 11.010 -15.321 -2.348 1.00 25.44 O ATOM 302 CB VAL A 20 11.493 -13.078 -4.131 1.00 32.22 C ATOM 303 CG1 VAL A 20 12.035 -12.092 -5.167 1.00 62.12 C ATOM 304 CG2 VAL A 20 10.139 -13.642 -4.566 1.00 12.44 C ATOM 0 H VAL A 20 12.613 -15.214 -5.698 1.00 23.12 H new ATOM 0 HA VAL A 20 13.222 -13.812 -3.154 1.00 24.13 H new ATOM 0 HB VAL A 20 11.345 -12.535 -3.198 1.00 32.22 H new ATOM 0 HG11 VAL A 20 11.303 -11.303 -5.336 1.00 62.12 H new ATOM 0 HG12 VAL A 20 12.963 -11.653 -4.801 1.00 62.12 H new ATOM 0 HG13 VAL A 20 12.226 -12.616 -6.103 1.00 62.12 H new ATOM 0 HG21 VAL A 20 9.444 -12.822 -4.747 1.00 12.44 H new ATOM 0 HG22 VAL A 20 10.263 -14.221 -5.481 1.00 12.44 H new ATOM 0 HG23 VAL A 20 9.743 -14.285 -3.780 1.00 12.44 H new ATOM 314 N GLU A 21 12.282 -16.599 -3.714 1.00 11.10 N ATOM 315 CA GLU A 21 11.759 -17.857 -3.206 1.00 25.04 C ATOM 316 C GLU A 21 12.644 -18.381 -2.074 1.00 12.30 C ATOM 317 O GLU A 21 13.869 -18.280 -2.141 1.00 52.20 O ATOM 318 CB GLU A 21 11.633 -18.890 -4.328 1.00 44.12 C ATOM 319 CG GLU A 21 10.678 -18.403 -5.418 1.00 55.24 C ATOM 320 CD GLU A 21 9.235 -18.809 -5.106 1.00 31.53 C ATOM 321 OE1 GLU A 21 8.312 -17.998 -5.276 1.00 42.20 O ATOM 322 OE2 GLU A 21 9.091 -20.015 -4.672 1.00 50.23 O1- ATOM 0 H GLU A 21 12.983 -16.694 -4.448 1.00 11.10 H new ATOM 0 HA GLU A 21 10.761 -17.679 -2.807 1.00 25.04 H new ATOM 0 HB2 GLU A 21 12.615 -19.084 -4.760 1.00 44.12 H new ATOM 0 HB3 GLU A 21 11.272 -19.834 -3.919 1.00 44.12 H new ATOM 0 HG2 GLU A 21 10.743 -17.318 -5.506 1.00 55.24 H new ATOM 0 HG3 GLU A 21 10.976 -18.819 -6.380 1.00 55.24 H new ATOM 330 N LYS A 22 11.992 -18.929 -1.060 1.00 73.14 N ATOM 331 CA LYS A 22 12.705 -19.469 0.085 1.00 13.40 C ATOM 332 C LYS A 22 13.709 -20.519 -0.394 1.00 71.42 C ATOM 333 O LYS A 22 14.910 -20.385 -0.164 1.00 40.23 O ATOM 334 CB LYS A 22 11.718 -19.993 1.132 1.00 60.13 C ATOM 335 CG LYS A 22 12.387 -20.112 2.503 1.00 54.23 C ATOM 336 CD LYS A 22 13.183 -21.414 2.614 1.00 32.02 C ATOM 337 CE LYS A 22 13.297 -21.865 4.072 1.00 72.12 C ATOM 338 NZ LYS A 22 13.569 -20.707 4.952 1.00 5.33 N1+ ATOM 0 H LYS A 22 10.977 -19.011 -1.007 1.00 73.14 H new ATOM 0 HA LYS A 22 13.276 -18.685 0.583 1.00 13.40 H new ATOM 0 HB2 LYS A 22 10.862 -19.322 1.198 1.00 60.13 H new ATOM 0 HB3 LYS A 22 11.337 -20.966 0.823 1.00 60.13 H new ATOM 0 HG2 LYS A 22 13.050 -19.262 2.663 1.00 54.23 H new ATOM 0 HG3 LYS A 22 11.629 -20.077 3.286 1.00 54.23 H new ATOM 0 HD2 LYS A 22 12.697 -22.193 2.026 1.00 32.02 H new ATOM 0 HD3 LYS A 22 14.179 -21.272 2.195 1.00 32.02 H new ATOM 0 HE2 LYS A 22 12.374 -22.355 4.381 1.00 72.12 H new ATOM 0 HE3 LYS A 22 14.096 -22.600 4.170 1.00 72.12 H new ATOM 0 HZ1 LYS A 22 14.019 -21.036 5.830 1.00 5.33 H new ATOM 0 HZ2 LYS A 22 14.204 -20.043 4.465 1.00 5.33 H new ATOM 0 HZ3 LYS A 22 12.675 -20.227 5.180 1.00 5.33 H new ATOM 351 N GLY A 23 13.180 -21.541 -1.051 1.00 32.25 N ATOM 352 CA GLY A 23 14.016 -22.614 -1.565 1.00 1.23 C ATOM 353 C GLY A 23 14.760 -22.173 -2.826 1.00 60.40 C ATOM 354 O GLY A 23 15.670 -22.861 -3.286 1.00 40.12 O ATOM 0 H GLY A 23 12.183 -21.649 -1.239 1.00 32.25 H new ATOM 0 HA2 GLY A 23 14.733 -22.918 -0.803 1.00 1.23 H new ATOM 0 HA3 GLY A 23 13.400 -23.485 -1.788 1.00 1.23 H new ATOM 358 N GLY A 24 14.344 -21.029 -3.351 1.00 42.54 N ATOM 359 CA GLY A 24 14.961 -20.488 -4.551 1.00 13.42 C ATOM 360 C GLY A 24 16.483 -20.626 -4.495 1.00 24.43 C ATOM 361 O GLY A 24 17.085 -20.474 -3.433 1.00 31.23 O ATOM 0 H GLY A 24 13.588 -20.462 -2.968 1.00 42.54 H new ATOM 0 HA2 GLY A 24 14.577 -21.009 -5.428 1.00 13.42 H new ATOM 0 HA3 GLY A 24 14.691 -19.438 -4.661 1.00 13.42 H new ATOM 365 N LYS A 25 17.062 -20.912 -5.652 1.00 43.10 N ATOM 366 CA LYS A 25 18.502 -21.073 -5.749 1.00 25.50 C ATOM 367 C LYS A 25 19.098 -19.865 -6.475 1.00 31.53 C ATOM 368 O LYS A 25 18.379 -19.116 -7.135 1.00 63.34 O ATOM 369 CB LYS A 25 18.850 -22.414 -6.398 1.00 45.42 C ATOM 370 CG LYS A 25 18.843 -22.302 -7.925 1.00 33.12 C ATOM 371 CD LYS A 25 19.102 -23.662 -8.575 1.00 51.15 C ATOM 372 CE LYS A 25 19.143 -23.541 -10.100 1.00 20.45 C ATOM 373 NZ LYS A 25 19.821 -24.715 -10.694 1.00 61.34 N1+ ATOM 0 H LYS A 25 16.559 -21.036 -6.531 1.00 43.10 H new ATOM 0 HA LYS A 25 18.949 -21.101 -4.755 1.00 25.50 H new ATOM 0 HB2 LYS A 25 19.832 -22.743 -6.058 1.00 45.42 H new ATOM 0 HB3 LYS A 25 18.133 -23.172 -6.082 1.00 45.42 H new ATOM 0 HG2 LYS A 25 17.882 -21.912 -8.260 1.00 33.12 H new ATOM 0 HG3 LYS A 25 19.605 -21.591 -8.245 1.00 33.12 H new ATOM 0 HD2 LYS A 25 20.047 -24.068 -8.213 1.00 51.15 H new ATOM 0 HD3 LYS A 25 18.321 -24.364 -8.283 1.00 51.15 H new ATOM 0 HE2 LYS A 25 18.129 -23.462 -10.492 1.00 20.45 H new ATOM 0 HE3 LYS A 25 19.667 -22.628 -10.385 1.00 20.45 H new ATOM 0 HZ1 LYS A 25 19.841 -24.618 -11.729 1.00 61.34 H new ATOM 0 HZ2 LYS A 25 20.795 -24.773 -10.333 1.00 61.34 H new ATOM 0 HZ3 LYS A 25 19.305 -25.581 -10.437 1.00 61.34 H new ATOM 386 N HIS A 26 20.406 -19.713 -6.328 1.00 35.31 N ATOM 387 CA HIS A 26 21.106 -18.607 -6.961 1.00 31.21 C ATOM 388 C HIS A 26 21.199 -18.855 -8.469 1.00 31.35 C ATOM 389 O HIS A 26 21.752 -19.864 -8.903 1.00 63.11 O ATOM 390 CB HIS A 26 22.473 -18.387 -6.312 1.00 60.42 C ATOM 391 CG HIS A 26 22.406 -18.011 -4.851 1.00 74.52 C ATOM 392 ND1 HIS A 26 21.661 -16.940 -4.386 1.00 53.11 N ATOM 393 CD2 HIS A 26 22.996 -18.573 -3.757 1.00 43.12 C ATOM 394 CE1 HIS A 26 21.805 -16.870 -3.071 1.00 4.22 C ATOM 395 NE2 HIS A 26 22.633 -17.883 -2.683 1.00 45.54 N ATOM 0 H HIS A 26 20.999 -20.336 -5.780 1.00 35.31 H new ATOM 0 HA HIS A 26 20.545 -17.684 -6.813 1.00 31.21 H new ATOM 0 HB2 HIS A 26 23.064 -19.297 -6.416 1.00 60.42 H new ATOM 0 HB3 HIS A 26 22.999 -17.602 -6.855 1.00 60.42 H new ATOM 0 HD2 HIS A 26 23.648 -19.434 -3.764 1.00 43.12 H new ATOM 0 HE1 HIS A 26 21.347 -16.140 -2.420 1.00 4.22 H new ATOM 0 HE2 HIS A 26 22.925 -18.078 -1.725 1.00 45.54 H new ATOM 403 N LYS A 27 20.647 -17.918 -9.225 1.00 43.43 N ATOM 404 CA LYS A 27 20.660 -18.022 -10.674 1.00 42.03 C ATOM 405 C LYS A 27 21.765 -17.124 -11.236 1.00 2.45 C ATOM 406 O LYS A 27 22.936 -17.498 -11.230 1.00 22.32 O ATOM 407 CB LYS A 27 19.273 -17.721 -11.246 1.00 4.12 C ATOM 408 CG LYS A 27 18.411 -18.984 -11.285 1.00 44.14 C ATOM 409 CD LYS A 27 16.928 -18.640 -11.138 1.00 74.23 C ATOM 410 CE LYS A 27 16.446 -17.775 -12.304 1.00 2.05 C ATOM 411 NZ LYS A 27 16.315 -18.588 -13.533 1.00 22.44 N1+ ATOM 0 H LYS A 27 20.188 -17.083 -8.861 1.00 43.43 H new ATOM 0 HA LYS A 27 20.891 -19.042 -10.980 1.00 42.03 H new ATOM 0 HB2 LYS A 27 18.783 -16.960 -10.639 1.00 4.12 H new ATOM 0 HB3 LYS A 27 19.371 -17.312 -12.252 1.00 4.12 H new ATOM 0 HG2 LYS A 27 18.574 -19.511 -12.225 1.00 44.14 H new ATOM 0 HG3 LYS A 27 18.712 -19.659 -10.484 1.00 44.14 H new ATOM 0 HD2 LYS A 27 16.341 -19.557 -11.095 1.00 74.23 H new ATOM 0 HD3 LYS A 27 16.765 -18.113 -10.198 1.00 74.23 H new ATOM 0 HE2 LYS A 27 15.486 -17.323 -12.056 1.00 2.05 H new ATOM 0 HE3 LYS A 27 17.148 -16.959 -12.474 1.00 2.05 H new ATOM 0 HZ1 LYS A 27 15.876 -18.016 -14.282 1.00 22.44 H new ATOM 0 HZ2 LYS A 27 17.257 -18.902 -13.844 1.00 22.44 H new ATOM 0 HZ3 LYS A 27 15.720 -19.419 -13.338 1.00 22.44 H new ATOM 424 N THR A 28 21.352 -15.956 -11.707 1.00 45.00 N ATOM 425 CA THR A 28 22.291 -15.002 -12.271 1.00 61.12 C ATOM 426 C THR A 28 22.895 -14.131 -11.167 1.00 45.43 C ATOM 427 O THR A 28 23.895 -13.449 -11.384 1.00 2.21 O ATOM 428 CB THR A 28 21.559 -14.197 -13.347 1.00 35.30 C ATOM 429 OG1 THR A 28 20.893 -15.187 -14.127 1.00 61.25 O ATOM 430 CG2 THR A 28 22.520 -13.531 -14.334 1.00 51.31 C ATOM 0 H THR A 28 20.379 -15.649 -11.709 1.00 45.00 H new ATOM 0 HA THR A 28 23.134 -15.508 -12.741 1.00 61.12 H new ATOM 0 HB THR A 28 20.939 -13.436 -12.873 1.00 35.30 H new ATOM 0 HG1 THR A 28 19.924 -15.059 -14.060 1.00 61.25 H new ATOM 0 HG21 THR A 28 21.950 -12.973 -15.076 1.00 51.31 H new ATOM 0 HG22 THR A 28 23.180 -12.850 -13.796 1.00 51.31 H new ATOM 0 HG23 THR A 28 23.116 -14.295 -14.833 1.00 51.31 H new ATOM 438 N GLY A 29 22.261 -14.184 -10.004 1.00 10.45 N ATOM 439 CA GLY A 29 22.723 -13.408 -8.865 1.00 52.43 C ATOM 440 C GLY A 29 22.186 -13.988 -7.554 1.00 73.33 C ATOM 441 O GLY A 29 21.657 -15.097 -7.532 1.00 12.41 O ATOM 0 H GLY A 29 21.432 -14.752 -9.826 1.00 10.45 H new ATOM 0 HA2 GLY A 29 23.813 -13.399 -8.844 1.00 52.43 H new ATOM 0 HA3 GLY A 29 22.398 -12.373 -8.969 1.00 52.43 H new ATOM 445 N PRO A 30 22.347 -13.189 -6.465 1.00 64.11 N ATOM 446 CA PRO A 30 21.885 -13.610 -5.153 1.00 53.23 C ATOM 447 C PRO A 30 20.363 -13.506 -5.048 1.00 41.02 C ATOM 448 O PRO A 30 19.751 -12.643 -5.675 1.00 1.24 O ATOM 449 CB PRO A 30 22.612 -12.706 -4.171 1.00 21.01 C ATOM 450 CG PRO A 30 23.093 -11.513 -4.980 1.00 61.15 C ATOM 451 CD PRO A 30 22.970 -11.869 -6.453 1.00 30.43 C ATOM 0 HA PRO A 30 22.104 -14.658 -4.946 1.00 53.23 H new ATOM 0 HB2 PRO A 30 21.948 -12.390 -3.366 1.00 21.01 H new ATOM 0 HB3 PRO A 30 23.450 -13.227 -3.707 1.00 21.01 H new ATOM 0 HG2 PRO A 30 22.497 -10.630 -4.750 1.00 61.15 H new ATOM 0 HG3 PRO A 30 24.127 -11.274 -4.730 1.00 61.15 H new ATOM 0 HD2 PRO A 30 22.362 -11.139 -6.987 1.00 30.43 H new ATOM 0 HD3 PRO A 30 23.946 -11.887 -6.939 1.00 30.43 H new ATOM 459 N ASN A 31 19.794 -14.399 -4.251 1.00 42.21 N ATOM 460 CA ASN A 31 18.354 -14.418 -4.055 1.00 54.23 C ATOM 461 C ASN A 31 17.978 -13.407 -2.971 1.00 24.12 C ATOM 462 O ASN A 31 18.556 -13.411 -1.885 1.00 22.02 O ATOM 463 CB ASN A 31 17.878 -15.799 -3.600 1.00 1.42 C ATOM 464 CG ASN A 31 16.432 -15.745 -3.106 1.00 33.11 C ATOM 465 OD1 ASN A 31 16.088 -15.013 -2.192 1.00 34.33 O ATOM 466 ND2 ASN A 31 15.606 -16.558 -3.758 1.00 24.23 N ATOM 0 H ASN A 31 20.304 -15.115 -3.733 1.00 42.21 H new ATOM 0 HA ASN A 31 17.881 -14.169 -5.005 1.00 54.23 H new ATOM 0 HB2 ASN A 31 17.958 -16.505 -4.426 1.00 1.42 H new ATOM 0 HB3 ASN A 31 18.525 -16.166 -2.803 1.00 1.42 H new ATOM 0 HD21 ASN A 31 14.619 -16.595 -3.502 1.00 24.23 H new ATOM 0 HD22 ASN A 31 15.959 -17.145 -4.514 1.00 24.23 H new ATOM 473 N LEU A 32 17.010 -12.564 -3.301 1.00 74.54 N ATOM 474 CA LEU A 32 16.550 -11.550 -2.368 1.00 5.51 C ATOM 475 C LEU A 32 15.425 -12.128 -1.507 1.00 71.53 C ATOM 476 O LEU A 32 14.248 -11.905 -1.785 1.00 22.25 O ATOM 477 CB LEU A 32 16.158 -10.274 -3.116 1.00 14.14 C ATOM 478 CG LEU A 32 17.269 -9.239 -3.305 1.00 30.32 C ATOM 479 CD1 LEU A 32 18.639 -9.915 -3.385 1.00 72.11 C ATOM 480 CD2 LEU A 32 16.994 -8.355 -4.523 1.00 23.23 C ATOM 0 H LEU A 32 16.532 -12.563 -4.202 1.00 74.54 H new ATOM 0 HA LEU A 32 17.354 -11.262 -1.691 1.00 5.51 H new ATOM 0 HB2 LEU A 32 15.779 -10.555 -4.099 1.00 14.14 H new ATOM 0 HB3 LEU A 32 15.335 -9.801 -2.580 1.00 14.14 H new ATOM 0 HG LEU A 32 17.281 -8.588 -2.431 1.00 30.32 H new ATOM 0 HD11 LEU A 32 19.411 -9.158 -3.519 1.00 72.11 H new ATOM 0 HD12 LEU A 32 18.827 -10.466 -2.463 1.00 72.11 H new ATOM 0 HD13 LEU A 32 18.656 -10.604 -4.229 1.00 72.11 H new ATOM 0 HD21 LEU A 32 17.799 -7.628 -4.634 1.00 23.23 H new ATOM 0 HD22 LEU A 32 16.939 -8.975 -5.418 1.00 23.23 H new ATOM 0 HD23 LEU A 32 16.048 -7.831 -4.386 1.00 23.23 H new ATOM 492 N HIS A 33 15.827 -12.860 -0.479 1.00 14.50 N ATOM 493 CA HIS A 33 14.869 -13.472 0.426 1.00 13.44 C ATOM 494 C HIS A 33 14.847 -12.702 1.748 1.00 62.54 C ATOM 495 O HIS A 33 13.788 -12.272 2.202 1.00 23.12 O ATOM 496 CB HIS A 33 15.170 -14.960 0.610 1.00 5.43 C ATOM 497 CG HIS A 33 14.369 -15.617 1.709 1.00 22.13 C ATOM 498 ND1 HIS A 33 13.253 -16.398 1.461 1.00 13.25 N ATOM 499 CD2 HIS A 33 14.535 -15.602 3.063 1.00 23.11 C ATOM 500 CE1 HIS A 33 12.776 -16.827 2.619 1.00 64.43 C ATOM 501 NE2 HIS A 33 13.571 -16.332 3.611 1.00 50.42 N ATOM 0 H HIS A 33 16.804 -13.043 -0.252 1.00 14.50 H new ATOM 0 HA HIS A 33 13.869 -13.414 -0.004 1.00 13.44 H new ATOM 0 HB2 HIS A 33 14.974 -15.479 -0.328 1.00 5.43 H new ATOM 0 HB3 HIS A 33 16.232 -15.082 0.826 1.00 5.43 H new ATOM 0 HD2 HIS A 33 15.317 -15.084 3.598 1.00 23.11 H new ATOM 0 HE1 HIS A 33 11.910 -17.458 2.755 1.00 64.43 H new ATOM 0 HE2 HIS A 33 13.445 -16.496 4.610 1.00 50.42 H new ATOM 509 N GLY A 34 16.028 -12.555 2.329 1.00 75.21 N ATOM 510 CA GLY A 34 16.158 -11.846 3.590 1.00 51.24 C ATOM 511 C GLY A 34 16.693 -10.429 3.369 1.00 41.32 C ATOM 512 O GLY A 34 17.409 -9.893 4.215 1.00 23.54 O ATOM 0 H GLY A 34 16.904 -12.915 1.950 1.00 75.21 H new ATOM 0 HA2 GLY A 34 15.189 -11.799 4.087 1.00 51.24 H new ATOM 0 HA3 GLY A 34 16.830 -12.393 4.252 1.00 51.24 H new ATOM 516 N LEU A 35 16.325 -9.862 2.230 1.00 32.14 N ATOM 517 CA LEU A 35 16.759 -8.518 1.889 1.00 14.33 C ATOM 518 C LEU A 35 16.704 -7.636 3.137 1.00 14.32 C ATOM 519 O LEU A 35 17.736 -7.327 3.730 1.00 23.33 O ATOM 520 CB LEU A 35 15.943 -7.974 0.714 1.00 1.34 C ATOM 521 CG LEU A 35 16.363 -6.601 0.185 1.00 70.13 C ATOM 522 CD1 LEU A 35 17.804 -6.628 -0.328 1.00 23.22 C ATOM 523 CD2 LEU A 35 15.384 -6.102 -0.881 1.00 20.03 C ATOM 0 H LEU A 35 15.731 -10.309 1.531 1.00 32.14 H new ATOM 0 HA LEU A 35 17.795 -8.527 1.551 1.00 14.33 H new ATOM 0 HB2 LEU A 35 16.001 -8.690 -0.105 1.00 1.34 H new ATOM 0 HB3 LEU A 35 14.897 -7.920 1.017 1.00 1.34 H new ATOM 0 HG LEU A 35 16.329 -5.891 1.012 1.00 70.13 H new ATOM 0 HD11 LEU A 35 18.077 -5.640 -0.698 1.00 23.22 H new ATOM 0 HD12 LEU A 35 18.474 -6.909 0.484 1.00 23.22 H new ATOM 0 HD13 LEU A 35 17.889 -7.354 -1.136 1.00 23.22 H new ATOM 0 HD21 LEU A 35 15.705 -5.124 -1.241 1.00 20.03 H new ATOM 0 HD22 LEU A 35 15.362 -6.806 -1.713 1.00 20.03 H new ATOM 0 HD23 LEU A 35 14.387 -6.020 -0.449 1.00 20.03 H new ATOM 535 N PHE A 36 15.488 -7.254 3.500 1.00 5.35 N ATOM 536 CA PHE A 36 15.285 -6.413 4.667 1.00 22.24 C ATOM 537 C PHE A 36 15.801 -7.099 5.933 1.00 61.41 C ATOM 538 O PHE A 36 15.212 -8.074 6.400 1.00 2.04 O ATOM 539 CB PHE A 36 13.777 -6.190 4.800 1.00 52.13 C ATOM 540 CG PHE A 36 13.218 -5.133 3.846 1.00 23.51 C ATOM 541 CD1 PHE A 36 13.024 -5.435 2.534 1.00 23.43 C ATOM 542 CD2 PHE A 36 12.913 -3.891 4.309 1.00 33.42 C ATOM 543 CE1 PHE A 36 12.506 -4.454 1.648 1.00 12.33 C ATOM 544 CE2 PHE A 36 12.394 -2.910 3.424 1.00 1.43 C ATOM 545 CZ PHE A 36 12.202 -3.212 2.112 1.00 2.54 C ATOM 0 H PHE A 36 14.634 -7.512 3.006 1.00 5.35 H new ATOM 0 HA PHE A 36 15.826 -5.474 4.549 1.00 22.24 H new ATOM 0 HB2 PHE A 36 13.263 -7.134 4.621 1.00 52.13 H new ATOM 0 HB3 PHE A 36 13.553 -5.895 5.825 1.00 52.13 H new ATOM 0 HD1 PHE A 36 13.264 -6.422 2.166 1.00 23.43 H new ATOM 0 HD2 PHE A 36 13.066 -3.651 5.351 1.00 33.42 H new ATOM 0 HE1 PHE A 36 12.353 -4.694 0.606 1.00 12.33 H new ATOM 0 HE2 PHE A 36 12.152 -1.924 3.792 1.00 1.43 H new ATOM 0 HZ PHE A 36 11.808 -2.465 1.438 1.00 2.54 H new ATOM 555 N GLY A 37 16.895 -6.564 6.454 1.00 15.13 N ATOM 556 CA GLY A 37 17.497 -7.112 7.658 1.00 44.23 C ATOM 557 C GLY A 37 18.667 -8.036 7.313 1.00 13.23 C ATOM 558 O GLY A 37 18.860 -9.066 7.957 1.00 33.14 O ATOM 0 H GLY A 37 17.381 -5.756 6.064 1.00 15.13 H new ATOM 0 HA2 GLY A 37 17.846 -6.300 8.297 1.00 44.23 H new ATOM 0 HA3 GLY A 37 16.748 -7.664 8.225 1.00 44.23 H new ATOM 562 N ARG A 38 19.419 -7.632 6.300 1.00 71.12 N ATOM 563 CA ARG A 38 20.566 -8.411 5.862 1.00 72.15 C ATOM 564 C ARG A 38 21.669 -7.486 5.346 1.00 53.24 C ATOM 565 O ARG A 38 21.400 -6.559 4.582 1.00 74.14 O ATOM 566 CB ARG A 38 20.175 -9.394 4.757 1.00 13.11 C ATOM 567 CG ARG A 38 21.404 -10.120 4.210 1.00 61.12 C ATOM 568 CD ARG A 38 21.000 -11.382 3.444 1.00 23.15 C ATOM 569 NE ARG A 38 20.040 -12.174 4.245 1.00 44.20 N ATOM 570 CZ ARG A 38 20.370 -12.867 5.356 1.00 15.22 C ATOM 571 NH1 ARG A 38 21.643 -12.871 5.807 1.00 2.45 N ATOM 572 NH2 ARG A 38 19.431 -13.539 5.994 1.00 43.34 N1+ ATOM 0 H ARG A 38 19.257 -6.776 5.770 1.00 71.12 H new ATOM 0 HA ARG A 38 20.932 -8.975 6.720 1.00 72.15 H new ATOM 0 HB2 ARG A 38 19.463 -10.121 5.147 1.00 13.11 H new ATOM 0 HB3 ARG A 38 19.675 -8.859 3.950 1.00 13.11 H new ATOM 0 HG2 ARG A 38 21.961 -9.454 3.552 1.00 61.12 H new ATOM 0 HG3 ARG A 38 22.069 -10.386 5.032 1.00 61.12 H new ATOM 0 HD2 ARG A 38 20.552 -11.110 2.489 1.00 23.15 H new ATOM 0 HD3 ARG A 38 21.883 -11.981 3.222 1.00 23.15 H new ATOM 0 HE ARG A 38 19.067 -12.198 3.938 1.00 44.20 H new ATOM 0 HH11 ARG A 38 22.363 -12.348 5.308 1.00 2.45 H new ATOM 0 HH12 ARG A 38 21.885 -13.397 6.647 1.00 2.45 H new ATOM 0 HH21 ARG A 38 18.472 -13.530 5.647 1.00 43.34 H new ATOM 0 HH22 ARG A 38 19.664 -14.068 6.835 1.00 43.34 H new ATOM 585 N LYS A 39 22.887 -7.769 5.783 1.00 1.25 N ATOM 586 CA LYS A 39 24.033 -6.973 5.375 1.00 23.04 C ATOM 587 C LYS A 39 24.391 -7.310 3.925 1.00 30.04 C ATOM 588 O LYS A 39 23.898 -8.292 3.372 1.00 3.20 O ATOM 589 CB LYS A 39 25.192 -7.161 6.355 1.00 65.41 C ATOM 590 CG LYS A 39 25.139 -6.117 7.473 1.00 52.45 C ATOM 591 CD LYS A 39 25.971 -6.562 8.677 1.00 54.13 C ATOM 592 CE LYS A 39 25.251 -7.657 9.466 1.00 12.24 C ATOM 593 NZ LYS A 39 25.610 -7.585 10.901 1.00 2.13 N1+ ATOM 0 H LYS A 39 23.106 -8.539 6.416 1.00 1.25 H new ATOM 0 HA LYS A 39 23.790 -5.911 5.406 1.00 23.04 H new ATOM 0 HB2 LYS A 39 25.151 -8.162 6.785 1.00 65.41 H new ATOM 0 HB3 LYS A 39 26.140 -7.081 5.823 1.00 65.41 H new ATOM 0 HG2 LYS A 39 25.511 -5.162 7.102 1.00 52.45 H new ATOM 0 HG3 LYS A 39 24.105 -5.959 7.779 1.00 52.45 H new ATOM 0 HD2 LYS A 39 26.940 -6.930 8.338 1.00 54.13 H new ATOM 0 HD3 LYS A 39 26.164 -5.708 9.326 1.00 54.13 H new ATOM 0 HE2 LYS A 39 24.173 -7.548 9.349 1.00 12.24 H new ATOM 0 HE3 LYS A 39 25.518 -8.636 9.067 1.00 12.24 H new ATOM 0 HZ1 LYS A 39 25.112 -8.335 11.421 1.00 2.13 H new ATOM 0 HZ2 LYS A 39 26.637 -7.711 11.009 1.00 2.13 H new ATOM 0 HZ3 LYS A 39 25.333 -6.658 11.282 1.00 2.13 H new ATOM 606 N THR A 40 25.247 -6.478 3.353 1.00 35.13 N ATOM 607 CA THR A 40 25.677 -6.674 1.979 1.00 75.44 C ATOM 608 C THR A 40 26.766 -7.747 1.910 1.00 43.11 C ATOM 609 O THR A 40 27.777 -7.657 2.606 1.00 72.31 O ATOM 610 CB THR A 40 26.124 -5.320 1.423 1.00 74.21 C ATOM 611 OG1 THR A 40 26.925 -4.766 2.464 1.00 42.25 O ATOM 612 CG2 THR A 40 24.962 -4.334 1.283 1.00 52.34 C ATOM 0 H THR A 40 25.655 -5.666 3.816 1.00 35.13 H new ATOM 0 HA THR A 40 24.860 -7.042 1.359 1.00 75.44 H new ATOM 0 HB THR A 40 26.598 -5.464 0.452 1.00 74.21 H new ATOM 0 HG1 THR A 40 27.725 -5.318 2.591 1.00 42.25 H new ATOM 0 HG21 THR A 40 25.332 -3.389 0.885 1.00 52.34 H new ATOM 0 HG22 THR A 40 24.215 -4.746 0.604 1.00 52.34 H new ATOM 0 HG23 THR A 40 24.510 -4.163 2.260 1.00 52.34 H new ATOM 620 N GLY A 41 26.523 -8.738 1.065 1.00 61.55 N ATOM 621 CA GLY A 41 27.470 -9.827 0.896 1.00 62.50 C ATOM 622 C GLY A 41 27.357 -10.835 2.042 1.00 21.13 C ATOM 623 O GLY A 41 28.366 -11.343 2.529 1.00 23.11 O ATOM 0 H GLY A 41 25.684 -8.810 0.490 1.00 61.55 H new ATOM 0 HA2 GLY A 41 27.287 -10.329 -0.054 1.00 62.50 H new ATOM 0 HA3 GLY A 41 28.484 -9.429 0.856 1.00 62.50 H new ATOM 627 N GLN A 42 26.120 -11.093 2.440 1.00 20.11 N ATOM 628 CA GLN A 42 25.863 -12.030 3.521 1.00 50.44 C ATOM 629 C GLN A 42 25.343 -13.356 2.960 1.00 23.41 C ATOM 630 O GLN A 42 25.427 -14.389 3.623 1.00 22.22 O ATOM 631 CB GLN A 42 24.880 -11.442 4.535 1.00 22.15 C ATOM 632 CG GLN A 42 25.325 -10.049 4.987 1.00 43.33 C ATOM 633 CD GLN A 42 26.467 -10.141 6.001 1.00 74.22 C ATOM 634 OE1 GLN A 42 26.298 -10.577 7.127 1.00 53.24 O ATOM 635 NE2 GLN A 42 27.637 -9.708 5.539 1.00 55.35 N ATOM 0 H GLN A 42 25.285 -10.670 2.034 1.00 20.11 H new ATOM 0 HA GLN A 42 26.801 -12.220 4.042 1.00 50.44 H new ATOM 0 HB2 GLN A 42 23.886 -11.384 4.092 1.00 22.15 H new ATOM 0 HB3 GLN A 42 24.805 -12.102 5.399 1.00 22.15 H new ATOM 0 HG2 GLN A 42 25.647 -9.468 4.123 1.00 43.33 H new ATOM 0 HG3 GLN A 42 24.482 -9.520 5.431 1.00 43.33 H new ATOM 0 HE21 GLN A 42 27.709 -9.355 4.585 1.00 55.35 H new ATOM 0 HE22 GLN A 42 28.462 -9.729 6.139 1.00 55.35 H new ATOM 644 N ALA A 43 24.818 -13.284 1.747 1.00 70.23 N ATOM 645 CA ALA A 43 24.285 -14.465 1.089 1.00 30.12 C ATOM 646 C ALA A 43 25.194 -15.660 1.381 1.00 64.14 C ATOM 647 O ALA A 43 26.238 -15.819 0.748 1.00 13.20 O ATOM 648 CB ALA A 43 24.140 -14.194 -0.410 1.00 22.12 C ATOM 0 H ALA A 43 24.750 -12.425 1.201 1.00 70.23 H new ATOM 0 HA ALA A 43 23.293 -14.704 1.474 1.00 30.12 H new ATOM 0 HB1 ALA A 43 23.740 -15.080 -0.903 1.00 22.12 H new ATOM 0 HB2 ALA A 43 23.461 -13.356 -0.564 1.00 22.12 H new ATOM 0 HB3 ALA A 43 25.116 -13.953 -0.832 1.00 22.12 H new ATOM 654 N PRO A 44 24.756 -16.489 2.365 1.00 21.12 N ATOM 655 CA PRO A 44 25.519 -17.665 2.749 1.00 3.52 C ATOM 656 C PRO A 44 25.380 -18.774 1.704 1.00 70.11 C ATOM 657 O PRO A 44 24.940 -19.878 2.020 1.00 13.44 O ATOM 658 CB PRO A 44 24.975 -18.061 4.111 1.00 43.33 C ATOM 659 CG PRO A 44 23.621 -17.380 4.232 1.00 50.30 C ATOM 660 CD PRO A 44 23.527 -16.331 3.136 1.00 14.51 C ATOM 0 HA PRO A 44 26.590 -17.471 2.805 1.00 3.52 H new ATOM 0 HB2 PRO A 44 24.877 -19.143 4.193 1.00 43.33 H new ATOM 0 HB3 PRO A 44 25.646 -17.741 4.908 1.00 43.33 H new ATOM 0 HG2 PRO A 44 22.817 -18.109 4.133 1.00 50.30 H new ATOM 0 HG3 PRO A 44 23.513 -16.918 5.213 1.00 50.30 H new ATOM 0 HD2 PRO A 44 22.646 -16.487 2.513 1.00 14.51 H new ATOM 0 HD3 PRO A 44 23.448 -15.327 3.554 1.00 14.51 H new ATOM 668 N GLY A 45 25.765 -18.441 0.480 1.00 63.41 N ATOM 669 CA GLY A 45 25.688 -19.396 -0.613 1.00 62.30 C ATOM 670 C GLY A 45 26.428 -18.876 -1.848 1.00 51.31 C ATOM 671 O GLY A 45 27.113 -19.635 -2.531 1.00 1.41 O ATOM 0 H GLY A 45 26.131 -17.525 0.221 1.00 63.41 H new ATOM 0 HA2 GLY A 45 26.118 -20.347 -0.300 1.00 62.30 H new ATOM 0 HA3 GLY A 45 24.644 -19.585 -0.863 1.00 62.30 H new ATOM 675 N TYR A 46 26.266 -17.584 -2.094 1.00 31.42 N ATOM 676 CA TYR A 46 26.910 -16.954 -3.234 1.00 33.33 C ATOM 677 C TYR A 46 27.662 -15.691 -2.810 1.00 21.45 C ATOM 678 O TYR A 46 27.068 -14.766 -2.258 1.00 53.01 O ATOM 679 CB TYR A 46 25.783 -16.563 -4.193 1.00 11.41 C ATOM 680 CG TYR A 46 26.265 -16.137 -5.580 1.00 3.21 C ATOM 681 CD1 TYR A 46 27.334 -16.783 -6.168 1.00 70.24 C ATOM 682 CD2 TYR A 46 25.633 -15.106 -6.245 1.00 42.12 C ATOM 683 CE1 TYR A 46 27.789 -16.382 -7.474 1.00 41.12 C ATOM 684 CE2 TYR A 46 26.087 -14.705 -7.551 1.00 4.30 C ATOM 685 CZ TYR A 46 27.143 -15.362 -8.101 1.00 64.21 C ATOM 686 OH TYR A 46 27.572 -14.983 -9.335 1.00 73.20 O ATOM 0 H TYR A 46 25.699 -16.957 -1.524 1.00 31.42 H new ATOM 0 HA TYR A 46 27.631 -17.632 -3.690 1.00 33.33 H new ATOM 0 HB2 TYR A 46 25.102 -17.407 -4.300 1.00 11.41 H new ATOM 0 HB3 TYR A 46 25.212 -15.746 -3.752 1.00 11.41 H new ATOM 0 HD1 TYR A 46 27.829 -17.590 -5.648 1.00 70.24 H new ATOM 0 HD2 TYR A 46 24.797 -14.600 -5.785 1.00 42.12 H new ATOM 0 HE1 TYR A 46 28.624 -16.880 -7.945 1.00 41.12 H new ATOM 0 HE2 TYR A 46 25.600 -13.901 -8.082 1.00 4.30 H new ATOM 0 HH TYR A 46 27.017 -14.244 -9.662 1.00 73.20 H new ATOM 696 N SER A 47 28.959 -15.692 -3.083 1.00 61.13 N ATOM 697 CA SER A 47 29.799 -14.559 -2.737 1.00 50.02 C ATOM 698 C SER A 47 29.798 -13.540 -3.877 1.00 61.25 C ATOM 699 O SER A 47 29.830 -13.913 -5.049 1.00 74.42 O ATOM 700 CB SER A 47 31.227 -15.007 -2.425 1.00 64.01 C ATOM 701 OG SER A 47 31.337 -15.575 -1.123 1.00 62.20 O ATOM 0 H SER A 47 29.449 -16.461 -3.541 1.00 61.13 H new ATOM 0 HA SER A 47 29.391 -14.091 -1.841 1.00 50.02 H new ATOM 0 HB2 SER A 47 31.548 -15.738 -3.167 1.00 64.01 H new ATOM 0 HB3 SER A 47 31.900 -14.154 -2.506 1.00 64.01 H new ATOM 0 HG SER A 47 32.264 -15.850 -0.963 1.00 62.20 H new ATOM 707 N TYR A 48 29.762 -12.271 -3.495 1.00 23.43 N ATOM 708 CA TYR A 48 29.757 -11.195 -4.471 1.00 51.03 C ATOM 709 C TYR A 48 31.171 -10.659 -4.704 1.00 50.11 C ATOM 710 O TYR A 48 32.144 -11.235 -4.219 1.00 44.52 O ATOM 711 CB TYR A 48 28.896 -10.083 -3.868 1.00 20.35 C ATOM 712 CG TYR A 48 27.568 -10.572 -3.285 1.00 25.13 C ATOM 713 CD1 TYR A 48 27.073 -11.810 -3.639 1.00 3.33 C ATOM 714 CD2 TYR A 48 26.865 -9.772 -2.406 1.00 40.21 C ATOM 715 CE1 TYR A 48 25.823 -12.269 -3.090 1.00 31.53 C ATOM 716 CE2 TYR A 48 25.616 -10.232 -1.856 1.00 74.50 C ATOM 717 CZ TYR A 48 25.157 -11.458 -2.226 1.00 31.14 C ATOM 718 OH TYR A 48 23.977 -11.891 -1.708 1.00 23.04 O ATOM 0 H TYR A 48 29.736 -11.965 -2.522 1.00 23.43 H new ATOM 0 HA TYR A 48 29.374 -11.548 -5.429 1.00 51.03 H new ATOM 0 HB2 TYR A 48 29.464 -9.583 -3.083 1.00 20.35 H new ATOM 0 HB3 TYR A 48 28.691 -9.338 -4.637 1.00 20.35 H new ATOM 0 HD1 TYR A 48 27.623 -12.435 -4.328 1.00 3.33 H new ATOM 0 HD2 TYR A 48 27.252 -8.802 -2.131 1.00 40.21 H new ATOM 0 HE1 TYR A 48 25.424 -13.236 -3.359 1.00 31.53 H new ATOM 0 HE2 TYR A 48 25.057 -9.618 -1.166 1.00 74.50 H new ATOM 0 HH TYR A 48 23.614 -11.208 -1.106 1.00 23.04 H new ATOM 728 N THR A 49 31.239 -9.564 -5.446 1.00 5.20 N ATOM 729 CA THR A 49 32.519 -8.944 -5.749 1.00 43.03 C ATOM 730 C THR A 49 33.202 -8.475 -4.462 1.00 11.41 C ATOM 731 O THR A 49 32.591 -8.479 -3.394 1.00 40.24 O ATOM 732 CB THR A 49 32.271 -7.816 -6.751 1.00 0.23 C ATOM 733 OG1 THR A 49 31.171 -7.097 -6.200 1.00 65.43 O ATOM 734 CG2 THR A 49 31.746 -8.329 -8.094 1.00 63.33 C ATOM 0 H THR A 49 30.430 -9.090 -5.846 1.00 5.20 H new ATOM 0 HA THR A 49 33.207 -9.657 -6.204 1.00 43.03 H new ATOM 0 HB THR A 49 33.197 -7.264 -6.911 1.00 0.23 H new ATOM 0 HG1 THR A 49 30.944 -6.346 -6.787 1.00 65.43 H new ATOM 0 HG21 THR A 49 31.587 -7.487 -8.768 1.00 63.33 H new ATOM 0 HG22 THR A 49 32.474 -9.012 -8.532 1.00 63.33 H new ATOM 0 HG23 THR A 49 30.803 -8.853 -7.940 1.00 63.33 H new ATOM 742 N ALA A 50 34.459 -8.084 -4.608 1.00 63.11 N ATOM 743 CA ALA A 50 35.231 -7.613 -3.470 1.00 4.40 C ATOM 744 C ALA A 50 34.820 -6.177 -3.139 1.00 24.52 C ATOM 745 O ALA A 50 35.129 -5.673 -2.060 1.00 65.45 O ATOM 746 CB ALA A 50 36.724 -7.734 -3.783 1.00 22.44 C ATOM 0 H ALA A 50 34.962 -8.083 -5.495 1.00 63.11 H new ATOM 0 HA ALA A 50 35.030 -8.224 -2.590 1.00 4.40 H new ATOM 0 HB1 ALA A 50 37.304 -7.381 -2.930 1.00 22.44 H new ATOM 0 HB2 ALA A 50 36.970 -8.777 -3.983 1.00 22.44 H new ATOM 0 HB3 ALA A 50 36.962 -7.130 -4.659 1.00 22.44 H new ATOM 752 N ALA A 51 34.129 -5.560 -4.086 1.00 22.13 N ATOM 753 CA ALA A 51 33.672 -4.192 -3.907 1.00 24.51 C ATOM 754 C ALA A 51 32.262 -4.203 -3.314 1.00 32.14 C ATOM 755 O ALA A 51 31.788 -3.186 -2.810 1.00 53.32 O ATOM 756 CB ALA A 51 33.735 -3.454 -5.246 1.00 73.13 C ATOM 0 H ALA A 51 33.874 -5.982 -4.979 1.00 22.13 H new ATOM 0 HA ALA A 51 34.319 -3.660 -3.210 1.00 24.51 H new ATOM 0 HB1 ALA A 51 33.392 -2.428 -5.112 1.00 73.13 H new ATOM 0 HB2 ALA A 51 34.762 -3.449 -5.611 1.00 73.13 H new ATOM 0 HB3 ALA A 51 33.095 -3.959 -5.970 1.00 73.13 H new ATOM 762 N ASN A 52 31.630 -5.366 -3.392 1.00 72.12 N ATOM 763 CA ASN A 52 30.284 -5.523 -2.869 1.00 72.03 C ATOM 764 C ASN A 52 30.350 -6.202 -1.500 1.00 44.33 C ATOM 765 O ASN A 52 29.500 -5.962 -0.643 1.00 21.23 O ATOM 766 CB ASN A 52 29.434 -6.400 -3.791 1.00 71.24 C ATOM 767 CG ASN A 52 27.942 -6.133 -3.580 1.00 1.21 C ATOM 768 OD1 ASN A 52 27.246 -5.631 -4.447 1.00 10.34 O ATOM 769 ND2 ASN A 52 27.492 -6.495 -2.382 1.00 51.41 N ATOM 0 H ASN A 52 32.026 -6.208 -3.810 1.00 72.12 H new ATOM 0 HA ASN A 52 29.833 -4.533 -2.795 1.00 72.03 H new ATOM 0 HB2 ASN A 52 29.699 -6.205 -4.830 1.00 71.24 H new ATOM 0 HB3 ASN A 52 29.650 -7.451 -3.599 1.00 71.24 H new ATOM 0 HD21 ASN A 52 26.510 -6.358 -2.143 1.00 51.41 H new ATOM 0 HD22 ASN A 52 28.129 -6.910 -1.702 1.00 51.41 H new ATOM 776 N LYS A 53 31.366 -7.035 -1.335 1.00 31.33 N ATOM 777 CA LYS A 53 31.554 -7.749 -0.085 1.00 23.25 C ATOM 778 C LYS A 53 31.852 -6.746 1.032 1.00 40.10 C ATOM 779 O LYS A 53 31.081 -6.623 1.983 1.00 44.44 O ATOM 780 CB LYS A 53 32.627 -8.830 -0.241 1.00 41.40 C ATOM 781 CG LYS A 53 32.359 -10.007 0.699 1.00 75.03 C ATOM 782 CD LYS A 53 33.623 -10.846 0.902 1.00 74.12 C ATOM 783 CE LYS A 53 33.272 -12.265 1.352 1.00 55.52 C ATOM 784 NZ LYS A 53 34.502 -13.034 1.645 1.00 13.54 N1+ ATOM 0 H LYS A 53 32.069 -7.232 -2.048 1.00 31.33 H new ATOM 0 HA LYS A 53 30.641 -8.275 0.193 1.00 23.25 H new ATOM 0 HB2 LYS A 53 32.647 -9.181 -1.273 1.00 41.40 H new ATOM 0 HB3 LYS A 53 33.609 -8.407 -0.029 1.00 41.40 H new ATOM 0 HG2 LYS A 53 32.006 -9.636 1.661 1.00 75.03 H new ATOM 0 HG3 LYS A 53 31.566 -10.632 0.288 1.00 75.03 H new ATOM 0 HD2 LYS A 53 34.191 -10.885 -0.028 1.00 74.12 H new ATOM 0 HD3 LYS A 53 34.263 -10.372 1.647 1.00 74.12 H new ATOM 0 HE2 LYS A 53 32.640 -12.226 2.239 1.00 55.52 H new ATOM 0 HE3 LYS A 53 32.698 -12.768 0.574 1.00 55.52 H new ATOM 0 HZ1 LYS A 53 34.246 -13.995 1.949 1.00 13.54 H new ATOM 0 HZ2 LYS A 53 35.091 -13.087 0.789 1.00 13.54 H new ATOM 0 HZ3 LYS A 53 35.035 -12.561 2.403 1.00 13.54 H new ATOM 797 N ASN A 54 32.971 -6.053 0.879 1.00 32.11 N ATOM 798 CA ASN A 54 33.379 -5.064 1.862 1.00 62.53 C ATOM 799 C ASN A 54 32.154 -4.270 2.320 1.00 21.52 C ATOM 800 O ASN A 54 32.085 -3.835 3.468 1.00 54.24 O ATOM 801 CB ASN A 54 34.384 -4.077 1.265 1.00 4.13 C ATOM 802 CG ASN A 54 33.700 -3.115 0.292 1.00 23.22 C ATOM 803 OD1 ASN A 54 33.121 -2.112 0.676 1.00 64.31 O ATOM 804 ND2 ASN A 54 33.796 -3.477 -0.984 1.00 31.23 N ATOM 0 H ASN A 54 33.608 -6.157 0.089 1.00 32.11 H new ATOM 0 HA ASN A 54 33.841 -5.590 2.697 1.00 62.53 H new ATOM 0 HB2 ASN A 54 34.862 -3.511 2.065 1.00 4.13 H new ATOM 0 HB3 ASN A 54 35.172 -4.624 0.747 1.00 4.13 H new ATOM 0 HD21 ASN A 54 33.370 -2.902 -1.711 1.00 31.23 H new ATOM 0 HD22 ASN A 54 34.296 -4.330 -1.236 1.00 31.23 H new ATOM 811 N LYS A 55 31.216 -4.107 1.398 1.00 3.10 N ATOM 812 CA LYS A 55 29.997 -3.374 1.693 1.00 52.01 C ATOM 813 C LYS A 55 29.513 -3.742 3.097 1.00 71.13 C ATOM 814 O LYS A 55 29.160 -4.892 3.355 1.00 34.34 O ATOM 815 CB LYS A 55 28.952 -3.610 0.601 1.00 61.43 C ATOM 816 CG LYS A 55 28.004 -2.415 0.482 1.00 35.11 C ATOM 817 CD LYS A 55 28.487 -1.436 -0.590 1.00 31.33 C ATOM 818 CE LYS A 55 29.371 -0.347 0.020 1.00 31.13 C ATOM 819 NZ LYS A 55 30.797 -0.739 -0.047 1.00 40.52 N1+ ATOM 0 H LYS A 55 31.276 -4.470 0.447 1.00 3.10 H new ATOM 0 HA LYS A 55 30.188 -2.301 1.692 1.00 52.01 H new ATOM 0 HB2 LYS A 55 29.450 -3.780 -0.353 1.00 61.43 H new ATOM 0 HB3 LYS A 55 28.381 -4.511 0.827 1.00 61.43 H new ATOM 0 HG2 LYS A 55 27.002 -2.765 0.235 1.00 35.11 H new ATOM 0 HG3 LYS A 55 27.936 -1.904 1.442 1.00 35.11 H new ATOM 0 HD2 LYS A 55 29.045 -1.976 -1.355 1.00 31.33 H new ATOM 0 HD3 LYS A 55 27.629 -0.979 -1.083 1.00 31.33 H new ATOM 0 HE2 LYS A 55 29.221 0.592 -0.512 1.00 31.13 H new ATOM 0 HE3 LYS A 55 29.083 -0.175 1.057 1.00 31.13 H new ATOM 0 HZ1 LYS A 55 31.251 -0.555 0.870 1.00 40.52 H new ATOM 0 HZ2 LYS A 55 30.868 -1.752 -0.272 1.00 40.52 H new ATOM 0 HZ3 LYS A 55 31.275 -0.186 -0.787 1.00 40.52 H new ATOM 832 N GLY A 56 29.510 -2.743 3.968 1.00 14.34 N ATOM 833 CA GLY A 56 29.075 -2.947 5.339 1.00 1.53 C ATOM 834 C GLY A 56 27.885 -2.047 5.676 1.00 71.44 C ATOM 835 O GLY A 56 28.036 -1.045 6.373 1.00 74.10 O ATOM 0 H GLY A 56 29.802 -1.790 3.750 1.00 14.34 H new ATOM 0 HA2 GLY A 56 28.799 -3.991 5.485 1.00 1.53 H new ATOM 0 HA3 GLY A 56 29.899 -2.737 6.021 1.00 1.53 H new ATOM 839 N ILE A 57 26.726 -2.437 5.167 1.00 74.01 N ATOM 840 CA ILE A 57 25.509 -1.679 5.405 1.00 43.32 C ATOM 841 C ILE A 57 24.329 -2.642 5.542 1.00 62.24 C ATOM 842 O ILE A 57 24.502 -3.856 5.449 1.00 3.42 O ATOM 843 CB ILE A 57 25.316 -0.619 4.317 1.00 40.53 C ATOM 844 CG1 ILE A 57 25.301 -1.259 2.927 1.00 32.54 C ATOM 845 CG2 ILE A 57 26.372 0.482 4.430 1.00 3.00 C ATOM 846 CD1 ILE A 57 24.355 -0.507 1.988 1.00 32.33 C ATOM 0 H ILE A 57 26.604 -3.269 4.590 1.00 74.01 H new ATOM 0 HA ILE A 57 25.581 -1.130 6.344 1.00 43.32 H new ATOM 0 HB ILE A 57 24.344 -0.148 4.466 1.00 40.53 H new ATOM 0 HG12 ILE A 57 26.309 -1.258 2.511 1.00 32.54 H new ATOM 0 HG13 ILE A 57 24.989 -2.301 3.005 1.00 32.54 H new ATOM 0 HG21 ILE A 57 26.212 1.222 3.646 1.00 3.00 H new ATOM 0 HG22 ILE A 57 26.293 0.964 5.405 1.00 3.00 H new ATOM 0 HG23 ILE A 57 27.365 0.046 4.320 1.00 3.00 H new ATOM 0 HD11 ILE A 57 24.363 -0.982 1.007 1.00 32.33 H new ATOM 0 HD12 ILE A 57 23.344 -0.531 2.395 1.00 32.33 H new ATOM 0 HD13 ILE A 57 24.684 0.528 1.893 1.00 32.33 H new ATOM 858 N ILE A 58 23.157 -2.065 5.757 1.00 34.44 N ATOM 859 CA ILE A 58 21.948 -2.859 5.907 1.00 71.13 C ATOM 860 C ILE A 58 20.879 -2.337 4.945 1.00 61.15 C ATOM 861 O ILE A 58 20.458 -1.186 5.044 1.00 1.32 O ATOM 862 CB ILE A 58 21.500 -2.882 7.370 1.00 10.41 C ATOM 863 CG1 ILE A 58 22.311 -3.900 8.175 1.00 53.34 C ATOM 864 CG2 ILE A 58 19.995 -3.133 7.478 1.00 13.54 C ATOM 865 CD1 ILE A 58 21.793 -5.321 7.942 1.00 42.52 C ATOM 0 H ILE A 58 23.018 -1.057 5.831 1.00 34.44 H new ATOM 0 HA ILE A 58 22.139 -3.898 5.640 1.00 71.13 H new ATOM 0 HB ILE A 58 21.694 -1.901 7.803 1.00 10.41 H new ATOM 0 HG12 ILE A 58 23.361 -3.841 7.890 1.00 53.34 H new ATOM 0 HG13 ILE A 58 22.255 -3.658 9.236 1.00 53.34 H new ATOM 0 HG21 ILE A 58 19.702 -3.145 8.528 1.00 13.54 H new ATOM 0 HG22 ILE A 58 19.456 -2.340 6.960 1.00 13.54 H new ATOM 0 HG23 ILE A 58 19.753 -4.094 7.023 1.00 13.54 H new ATOM 0 HD11 ILE A 58 22.386 -6.025 8.525 1.00 42.52 H new ATOM 0 HD12 ILE A 58 20.749 -5.383 8.251 1.00 42.52 H new ATOM 0 HD13 ILE A 58 21.874 -5.569 6.884 1.00 42.52 H new ATOM 877 N TRP A 59 20.472 -3.210 4.035 1.00 12.43 N ATOM 878 CA TRP A 59 19.459 -2.853 3.056 1.00 31.13 C ATOM 879 C TRP A 59 18.173 -2.505 3.809 1.00 62.44 C ATOM 880 O TRP A 59 17.935 -3.012 4.905 1.00 4.32 O ATOM 881 CB TRP A 59 19.267 -3.973 2.032 1.00 3.14 C ATOM 882 CG TRP A 59 20.489 -4.223 1.146 1.00 60.14 C ATOM 883 CD1 TRP A 59 21.221 -5.341 1.046 1.00 33.12 C ATOM 884 CD2 TRP A 59 21.096 -3.284 0.234 1.00 22.32 C ATOM 885 NE1 TRP A 59 22.252 -5.192 0.140 1.00 43.14 N ATOM 886 CE2 TRP A 59 22.173 -3.901 -0.370 1.00 22.33 C ATOM 887 CE3 TRP A 59 20.747 -1.956 -0.071 1.00 1.23 C ATOM 888 CZ2 TRP A 59 22.988 -3.268 -1.316 1.00 75.24 C ATOM 889 CZ3 TRP A 59 21.573 -1.338 -1.019 1.00 14.52 C ATOM 890 CH2 TRP A 59 22.659 -1.945 -1.635 1.00 62.15 C ATOM 0 H TRP A 59 20.825 -4.164 3.955 1.00 12.43 H new ATOM 0 HA TRP A 59 19.771 -1.982 2.480 1.00 31.13 H new ATOM 0 HB2 TRP A 59 19.019 -4.894 2.559 1.00 3.14 H new ATOM 0 HB3 TRP A 59 18.415 -3.729 1.398 1.00 3.14 H new ATOM 0 HD1 TRP A 59 21.029 -6.245 1.604 1.00 33.12 H new ATOM 0 HE1 TRP A 59 22.944 -5.899 -0.109 1.00 43.14 H new ATOM 0 HE3 TRP A 59 19.909 -1.453 0.389 1.00 1.23 H new ATOM 0 HZ2 TRP A 59 23.825 -3.773 -1.775 1.00 75.24 H new ATOM 0 HZ3 TRP A 59 21.349 -0.317 -1.290 1.00 14.52 H new ATOM 0 HH2 TRP A 59 23.248 -1.399 -2.357 1.00 62.15 H new ATOM 901 N GLY A 60 17.379 -1.642 3.193 1.00 60.12 N ATOM 902 CA GLY A 60 16.124 -1.220 3.793 1.00 61.54 C ATOM 903 C GLY A 60 15.265 -0.456 2.783 1.00 2.44 C ATOM 904 O GLY A 60 15.375 -0.673 1.578 1.00 64.10 O ATOM 0 H GLY A 60 17.580 -1.223 2.285 1.00 60.12 H new ATOM 0 HA2 GLY A 60 15.578 -2.091 4.155 1.00 61.54 H new ATOM 0 HA3 GLY A 60 16.324 -0.588 4.658 1.00 61.54 H new ATOM 908 N GLU A 61 14.428 0.423 3.313 1.00 1.02 N ATOM 909 CA GLU A 61 13.549 1.221 2.475 1.00 43.51 C ATOM 910 C GLU A 61 14.265 2.492 2.015 1.00 54.24 C ATOM 911 O GLU A 61 13.916 3.066 0.984 1.00 64.13 O ATOM 912 CB GLU A 61 12.249 1.557 3.206 1.00 4.31 C ATOM 913 CG GLU A 61 11.077 1.653 2.226 1.00 42.02 C ATOM 914 CD GLU A 61 10.026 2.648 2.725 1.00 40.13 C ATOM 915 OE1 GLU A 61 9.825 3.701 2.103 1.00 42.11 O ATOM 916 OE2 GLU A 61 9.405 2.293 3.798 1.00 53.22 O1- ATOM 0 H GLU A 61 14.340 0.601 4.314 1.00 1.02 H new ATOM 0 HA GLU A 61 13.289 0.635 1.594 1.00 43.51 H new ATOM 0 HB2 GLU A 61 12.040 0.792 3.954 1.00 4.31 H new ATOM 0 HB3 GLU A 61 12.361 2.502 3.738 1.00 4.31 H new ATOM 0 HG2 GLU A 61 11.441 1.964 1.247 1.00 42.02 H new ATOM 0 HG3 GLU A 61 10.622 0.671 2.100 1.00 42.02 H new ATOM 924 N ASP A 62 15.252 2.895 2.801 1.00 41.03 N ATOM 925 CA ASP A 62 16.020 4.087 2.488 1.00 11.04 C ATOM 926 C ASP A 62 17.240 3.698 1.650 1.00 64.11 C ATOM 927 O ASP A 62 17.404 4.174 0.527 1.00 4.51 O ATOM 928 CB ASP A 62 16.520 4.771 3.762 1.00 52.14 C ATOM 929 CG ASP A 62 15.438 5.468 4.589 1.00 62.42 C ATOM 930 OD1 ASP A 62 14.522 4.820 5.117 1.00 35.04 O ATOM 931 OD2 ASP A 62 15.563 6.748 4.683 1.00 62.51 O1- ATOM 0 H ASP A 62 15.538 2.416 3.655 1.00 41.03 H new ATOM 0 HA ASP A 62 15.371 4.772 1.942 1.00 11.04 H new ATOM 0 HB2 ASP A 62 17.011 4.026 4.388 1.00 52.14 H new ATOM 0 HB3 ASP A 62 17.277 5.506 3.489 1.00 52.14 H new ATOM 937 N THR A 63 18.064 2.837 2.228 1.00 73.22 N ATOM 938 CA THR A 63 19.265 2.378 1.550 1.00 3.24 C ATOM 939 C THR A 63 18.938 1.954 0.117 1.00 11.02 C ATOM 940 O THR A 63 19.782 2.052 -0.772 1.00 1.20 O ATOM 941 CB THR A 63 19.884 1.259 2.388 1.00 40.22 C ATOM 942 OG1 THR A 63 18.889 0.240 2.396 1.00 4.21 O ATOM 943 CG2 THR A 63 20.033 1.646 3.862 1.00 44.33 C ATOM 0 H THR A 63 17.924 2.445 3.159 1.00 73.22 H new ATOM 0 HA THR A 63 19.999 3.179 1.460 1.00 3.24 H new ATOM 0 HB THR A 63 20.861 0.998 1.980 1.00 40.22 H new ATOM 0 HG1 THR A 63 18.907 -0.242 1.543 1.00 4.21 H new ATOM 0 HG21 THR A 63 20.477 0.817 4.413 1.00 44.33 H new ATOM 0 HG22 THR A 63 20.676 2.522 3.945 1.00 44.33 H new ATOM 0 HG23 THR A 63 19.052 1.875 4.279 1.00 44.33 H new ATOM 951 N LEU A 64 17.709 1.491 -0.063 1.00 10.45 N ATOM 952 CA LEU A 64 17.260 1.051 -1.373 1.00 43.40 C ATOM 953 C LEU A 64 16.760 2.259 -2.169 1.00 72.41 C ATOM 954 O LEU A 64 16.967 2.337 -3.379 1.00 42.34 O ATOM 955 CB LEU A 64 16.222 -0.067 -1.236 1.00 75.52 C ATOM 956 CG LEU A 64 16.764 -1.437 -0.823 1.00 12.32 C ATOM 957 CD1 LEU A 64 15.628 -2.368 -0.394 1.00 31.02 C ATOM 958 CD2 LEU A 64 17.616 -2.048 -1.937 1.00 20.25 C ATOM 0 H LEU A 64 17.011 1.411 0.676 1.00 10.45 H new ATOM 0 HA LEU A 64 18.089 0.619 -1.934 1.00 43.40 H new ATOM 0 HB2 LEU A 64 15.477 0.243 -0.503 1.00 75.52 H new ATOM 0 HB3 LEU A 64 15.705 -0.175 -2.190 1.00 75.52 H new ATOM 0 HG LEU A 64 17.414 -1.302 0.041 1.00 12.32 H new ATOM 0 HD11 LEU A 64 16.040 -3.335 -0.105 1.00 31.02 H new ATOM 0 HD12 LEU A 64 15.100 -1.931 0.453 1.00 31.02 H new ATOM 0 HD13 LEU A 64 14.934 -2.502 -1.224 1.00 31.02 H new ATOM 0 HD21 LEU A 64 17.989 -3.021 -1.618 1.00 20.25 H new ATOM 0 HD22 LEU A 64 17.009 -2.168 -2.835 1.00 20.25 H new ATOM 0 HD23 LEU A 64 18.458 -1.390 -2.154 1.00 20.25 H new ATOM 970 N MET A 65 16.114 3.170 -1.457 1.00 14.04 N ATOM 971 CA MET A 65 15.584 4.370 -2.082 1.00 64.51 C ATOM 972 C MET A 65 16.687 5.145 -2.804 1.00 44.11 C ATOM 973 O MET A 65 16.404 6.003 -3.638 1.00 35.15 O ATOM 974 CB MET A 65 14.947 5.262 -1.014 1.00 75.32 C ATOM 975 CG MET A 65 13.472 4.912 -0.816 1.00 12.54 C ATOM 976 SD MET A 65 12.454 5.941 -1.860 1.00 72.52 S ATOM 977 CE MET A 65 11.723 4.695 -2.906 1.00 71.41 C ATOM 0 H MET A 65 15.945 3.102 -0.453 1.00 14.04 H new ATOM 0 HA MET A 65 14.834 4.075 -2.816 1.00 64.51 H new ATOM 0 HB2 MET A 65 15.482 5.145 -0.071 1.00 75.32 H new ATOM 0 HB3 MET A 65 15.040 6.308 -1.306 1.00 75.32 H new ATOM 0 HG2 MET A 65 13.304 3.861 -1.053 1.00 12.54 H new ATOM 0 HG3 MET A 65 13.194 5.052 0.229 1.00 12.54 H new ATOM 0 HE1 MET A 65 11.304 5.166 -3.795 1.00 71.41 H new ATOM 0 HE2 MET A 65 12.486 3.975 -3.202 1.00 71.41 H new ATOM 0 HE3 MET A 65 10.932 4.181 -2.361 1.00 71.41 H new ATOM 987 N GLU A 66 17.923 4.813 -2.459 1.00 20.23 N ATOM 988 CA GLU A 66 19.070 5.467 -3.064 1.00 4.35 C ATOM 989 C GLU A 66 19.738 4.536 -4.079 1.00 12.41 C ATOM 990 O GLU A 66 19.790 4.845 -5.268 1.00 31.41 O ATOM 991 CB GLU A 66 20.069 5.921 -1.997 1.00 2.12 C ATOM 992 CG GLU A 66 21.408 6.306 -2.628 1.00 74.21 C ATOM 993 CD GLU A 66 22.319 6.990 -1.607 1.00 11.01 C ATOM 994 OE1 GLU A 66 23.221 7.750 -1.991 1.00 62.03 O ATOM 995 OE2 GLU A 66 22.062 6.712 -0.374 1.00 61.41 O1- ATOM 0 H GLU A 66 18.154 4.099 -1.768 1.00 20.23 H new ATOM 0 HA GLU A 66 18.721 6.356 -3.590 1.00 4.35 H new ATOM 0 HB2 GLU A 66 19.662 6.772 -1.451 1.00 2.12 H new ATOM 0 HB3 GLU A 66 20.221 5.121 -1.272 1.00 2.12 H new ATOM 0 HG2 GLU A 66 21.899 5.415 -3.019 1.00 74.21 H new ATOM 0 HG3 GLU A 66 21.237 6.973 -3.473 1.00 74.21 H new ATOM 1003 N TYR A 67 20.231 3.416 -3.572 1.00 2.54 N ATOM 1004 CA TYR A 67 20.892 2.439 -4.419 1.00 70.14 C ATOM 1005 C TYR A 67 20.175 2.303 -5.764 1.00 15.44 C ATOM 1006 O TYR A 67 20.765 2.551 -6.814 1.00 20.34 O ATOM 1007 CB TYR A 67 20.806 1.107 -3.672 1.00 71.01 C ATOM 1008 CG TYR A 67 21.483 -0.058 -4.397 1.00 33.43 C ATOM 1009 CD1 TYR A 67 22.800 0.048 -4.795 1.00 25.24 C ATOM 1010 CD2 TYR A 67 20.777 -1.216 -4.654 1.00 73.53 C ATOM 1011 CE1 TYR A 67 23.437 -1.048 -5.478 1.00 12.44 C ATOM 1012 CE2 TYR A 67 21.413 -2.312 -5.336 1.00 50.13 C ATOM 1013 CZ TYR A 67 22.712 -2.174 -5.715 1.00 70.00 C ATOM 1014 OH TYR A 67 23.314 -3.209 -6.360 1.00 1.15 O ATOM 0 H TYR A 67 20.186 3.164 -2.585 1.00 2.54 H new ATOM 0 HA TYR A 67 21.920 2.740 -4.621 1.00 70.14 H new ATOM 0 HB2 TYR A 67 21.262 1.224 -2.689 1.00 71.01 H new ATOM 0 HB3 TYR A 67 19.757 0.860 -3.510 1.00 71.01 H new ATOM 0 HD1 TYR A 67 23.353 0.953 -4.594 1.00 25.24 H new ATOM 0 HD2 TYR A 67 19.746 -1.300 -4.343 1.00 73.53 H new ATOM 0 HE1 TYR A 67 24.467 -0.977 -5.795 1.00 12.44 H new ATOM 0 HE2 TYR A 67 20.871 -3.223 -5.542 1.00 50.13 H new ATOM 0 HH TYR A 67 22.677 -3.947 -6.460 1.00 1.15 H new ATOM 1024 N LEU A 68 18.912 1.910 -5.686 1.00 3.24 N ATOM 1025 CA LEU A 68 18.107 1.739 -6.884 1.00 35.25 C ATOM 1026 C LEU A 68 18.022 3.071 -7.631 1.00 53.11 C ATOM 1027 O LEU A 68 18.088 3.104 -8.859 1.00 15.43 O ATOM 1028 CB LEU A 68 16.743 1.142 -6.533 1.00 63.11 C ATOM 1029 CG LEU A 68 16.728 -0.354 -6.210 1.00 65.23 C ATOM 1030 CD1 LEU A 68 16.565 -0.587 -4.707 1.00 12.31 C ATOM 1031 CD2 LEU A 68 15.655 -1.080 -7.022 1.00 71.44 C ATOM 0 H LEU A 68 18.427 1.705 -4.813 1.00 3.24 H new ATOM 0 HA LEU A 68 18.577 1.024 -7.559 1.00 35.25 H new ATOM 0 HB2 LEU A 68 16.342 1.683 -5.676 1.00 63.11 H new ATOM 0 HB3 LEU A 68 16.065 1.320 -7.368 1.00 63.11 H new ATOM 0 HG LEU A 68 17.690 -0.776 -6.500 1.00 65.23 H new ATOM 0 HD11 LEU A 68 16.557 -1.658 -4.504 1.00 12.31 H new ATOM 0 HD12 LEU A 68 17.395 -0.122 -4.175 1.00 12.31 H new ATOM 0 HD13 LEU A 68 15.626 -0.147 -4.370 1.00 12.31 H new ATOM 0 HD21 LEU A 68 15.666 -2.141 -6.773 1.00 71.44 H new ATOM 0 HD22 LEU A 68 14.676 -0.662 -6.787 1.00 71.44 H new ATOM 0 HD23 LEU A 68 15.857 -0.955 -8.086 1.00 71.44 H new ATOM 1043 N GLU A 69 17.874 4.138 -6.859 1.00 15.25 N ATOM 1044 CA GLU A 69 17.779 5.470 -7.432 1.00 72.12 C ATOM 1045 C GLU A 69 19.039 5.793 -8.237 1.00 22.31 C ATOM 1046 O GLU A 69 18.986 6.557 -9.199 1.00 70.33 O ATOM 1047 CB GLU A 69 17.540 6.518 -6.344 1.00 51.12 C ATOM 1048 CG GLU A 69 17.457 7.923 -6.945 1.00 33.34 C ATOM 1049 CD GLU A 69 16.974 8.936 -5.905 1.00 54.43 C ATOM 1050 OE1 GLU A 69 17.749 9.338 -5.026 1.00 2.44 O ATOM 1051 OE2 GLU A 69 15.746 9.308 -6.036 1.00 3.24 O1- ATOM 0 H GLU A 69 17.818 4.107 -5.841 1.00 15.25 H new ATOM 0 HA GLU A 69 16.924 5.494 -8.108 1.00 72.12 H new ATOM 0 HB2 GLU A 69 16.616 6.291 -5.812 1.00 51.12 H new ATOM 0 HB3 GLU A 69 18.347 6.479 -5.612 1.00 51.12 H new ATOM 0 HG2 GLU A 69 18.436 8.220 -7.320 1.00 33.34 H new ATOM 0 HG3 GLU A 69 16.777 7.919 -7.797 1.00 33.34 H new ATOM 1059 N ASN A 70 20.143 5.195 -7.813 1.00 1.34 N ATOM 1060 CA ASN A 70 21.415 5.410 -8.483 1.00 62.35 C ATOM 1061 C ASN A 70 22.504 4.605 -7.770 1.00 55.43 C ATOM 1062 O ASN A 70 23.156 5.110 -6.858 1.00 45.53 O ATOM 1063 CB ASN A 70 21.816 6.885 -8.444 1.00 44.13 C ATOM 1064 CG ASN A 70 22.709 7.242 -9.634 1.00 34.34 C ATOM 1065 OD1 ASN A 70 23.302 6.391 -10.275 1.00 35.54 O ATOM 1066 ND2 ASN A 70 22.772 8.545 -9.891 1.00 0.54 N ATOM 0 H ASN A 70 20.183 4.562 -7.014 1.00 1.34 H new ATOM 0 HA ASN A 70 21.307 5.093 -9.520 1.00 62.35 H new ATOM 0 HB2 ASN A 70 20.922 7.509 -8.455 1.00 44.13 H new ATOM 0 HB3 ASN A 70 22.342 7.098 -7.513 1.00 44.13 H new ATOM 0 HD21 ASN A 70 23.343 8.885 -10.665 1.00 0.54 H new ATOM 0 HD22 ASN A 70 22.250 9.204 -9.314 1.00 0.54 H new ATOM 1073 N PRO A 71 22.671 3.335 -8.225 1.00 54.04 N ATOM 1074 CA PRO A 71 23.670 2.455 -7.641 1.00 32.44 C ATOM 1075 C PRO A 71 25.077 2.842 -8.101 1.00 41.31 C ATOM 1076 O PRO A 71 26.066 2.442 -7.489 1.00 74.34 O ATOM 1077 CB PRO A 71 23.266 1.056 -8.077 1.00 13.22 C ATOM 1078 CG PRO A 71 22.335 1.243 -9.264 1.00 74.42 C ATOM 1079 CD PRO A 71 21.916 2.703 -9.305 1.00 62.30 C ATOM 0 HA PRO A 71 23.707 2.523 -6.554 1.00 32.44 H new ATOM 0 HB2 PRO A 71 24.139 0.466 -8.355 1.00 13.22 H new ATOM 0 HB3 PRO A 71 22.766 0.524 -7.268 1.00 13.22 H new ATOM 0 HG2 PRO A 71 22.837 0.964 -10.190 1.00 74.42 H new ATOM 0 HG3 PRO A 71 21.461 0.598 -9.169 1.00 74.42 H new ATOM 0 HD2 PRO A 71 22.149 3.155 -10.269 1.00 62.30 H new ATOM 0 HD3 PRO A 71 20.842 2.811 -9.154 1.00 62.30 H new ATOM 1087 N LYS A 72 25.121 3.617 -9.175 1.00 40.44 N ATOM 1088 CA LYS A 72 26.391 4.062 -9.723 1.00 22.32 C ATOM 1089 C LYS A 72 27.105 4.943 -8.696 1.00 63.53 C ATOM 1090 O LYS A 72 28.314 5.153 -8.786 1.00 45.42 O ATOM 1091 CB LYS A 72 26.180 4.745 -11.076 1.00 54.30 C ATOM 1092 CG LYS A 72 27.513 5.197 -11.677 1.00 41.01 C ATOM 1093 CD LYS A 72 28.459 4.009 -11.868 1.00 72.43 C ATOM 1094 CE LYS A 72 27.833 2.950 -12.778 1.00 51.53 C ATOM 1095 NZ LYS A 72 27.563 3.516 -14.119 1.00 51.14 N1+ ATOM 0 H LYS A 72 24.299 3.948 -9.680 1.00 40.44 H new ATOM 0 HA LYS A 72 27.041 3.209 -9.919 1.00 22.32 H new ATOM 0 HB2 LYS A 72 25.683 4.058 -11.761 1.00 54.30 H new ATOM 0 HB3 LYS A 72 25.522 5.605 -10.954 1.00 54.30 H new ATOM 0 HG2 LYS A 72 27.337 5.684 -12.636 1.00 41.01 H new ATOM 0 HG3 LYS A 72 27.978 5.936 -11.025 1.00 41.01 H new ATOM 0 HD2 LYS A 72 29.399 4.354 -12.299 1.00 72.43 H new ATOM 0 HD3 LYS A 72 28.695 3.568 -10.899 1.00 72.43 H new ATOM 0 HE2 LYS A 72 28.503 2.095 -12.866 1.00 51.53 H new ATOM 0 HE3 LYS A 72 26.906 2.585 -12.337 1.00 51.53 H new ATOM 0 HZ1 LYS A 72 27.349 2.746 -14.784 1.00 51.14 H new ATOM 0 HZ2 LYS A 72 26.751 4.163 -14.065 1.00 51.14 H new ATOM 0 HZ3 LYS A 72 28.400 4.037 -14.451 1.00 51.14 H new ATOM 1108 N LYS A 73 26.328 5.433 -7.742 1.00 4.23 N ATOM 1109 CA LYS A 73 26.870 6.285 -6.698 1.00 34.14 C ATOM 1110 C LYS A 73 26.884 5.518 -5.374 1.00 2.10 C ATOM 1111 O LYS A 73 27.200 6.082 -4.328 1.00 35.44 O ATOM 1112 CB LYS A 73 26.105 7.609 -6.635 1.00 1.20 C ATOM 1113 CG LYS A 73 26.641 8.602 -7.666 1.00 32.13 C ATOM 1114 CD LYS A 73 26.237 8.191 -9.084 1.00 55.50 C ATOM 1115 CE LYS A 73 26.602 9.281 -10.095 1.00 5.11 C ATOM 1116 NZ LYS A 73 26.309 8.827 -11.473 1.00 51.34 N1+ ATOM 0 H LYS A 73 25.326 5.256 -7.670 1.00 4.23 H new ATOM 0 HA LYS A 73 27.903 6.551 -6.922 1.00 34.14 H new ATOM 0 HB2 LYS A 73 25.045 7.429 -6.815 1.00 1.20 H new ATOM 0 HB3 LYS A 73 26.191 8.035 -5.636 1.00 1.20 H new ATOM 0 HG2 LYS A 73 26.258 9.599 -7.449 1.00 32.13 H new ATOM 0 HG3 LYS A 73 27.727 8.655 -7.594 1.00 32.13 H new ATOM 0 HD2 LYS A 73 26.735 7.259 -9.352 1.00 55.50 H new ATOM 0 HD3 LYS A 73 25.164 8.001 -9.120 1.00 55.50 H new ATOM 0 HE2 LYS A 73 26.041 10.190 -9.878 1.00 5.11 H new ATOM 0 HE3 LYS A 73 27.659 9.530 -10.005 1.00 5.11 H new ATOM 0 HZ1 LYS A 73 26.562 9.578 -12.147 1.00 51.34 H new ATOM 0 HZ2 LYS A 73 26.863 7.972 -11.682 1.00 51.34 H new ATOM 0 HZ3 LYS A 73 25.295 8.612 -11.559 1.00 51.34 H new ATOM 1129 N TYR A 74 26.536 4.243 -5.463 1.00 21.02 N ATOM 1130 CA TYR A 74 26.503 3.392 -4.285 1.00 11.41 C ATOM 1131 C TYR A 74 27.630 2.358 -4.324 1.00 42.23 C ATOM 1132 O TYR A 74 28.511 2.363 -3.466 1.00 73.43 O ATOM 1133 CB TYR A 74 25.158 2.665 -4.328 1.00 34.24 C ATOM 1134 CG TYR A 74 24.580 2.345 -2.947 1.00 13.51 C ATOM 1135 CD1 TYR A 74 25.203 1.418 -2.137 1.00 0.20 C ATOM 1136 CD2 TYR A 74 23.435 2.983 -2.514 1.00 55.13 C ATOM 1137 CE1 TYR A 74 24.658 1.117 -0.838 1.00 65.02 C ATOM 1138 CE2 TYR A 74 22.891 2.682 -1.215 1.00 30.14 C ATOM 1139 CZ TYR A 74 23.530 1.764 -0.441 1.00 60.53 C ATOM 1140 OH TYR A 74 23.016 1.480 0.786 1.00 63.13 O ATOM 0 H TYR A 74 26.274 3.778 -6.332 1.00 21.02 H new ATOM 0 HA TYR A 74 26.629 3.985 -3.379 1.00 11.41 H new ATOM 0 HB2 TYR A 74 24.443 3.277 -4.877 1.00 34.24 H new ATOM 0 HB3 TYR A 74 25.276 1.736 -4.885 1.00 34.24 H new ATOM 0 HD1 TYR A 74 26.098 0.919 -2.477 1.00 0.20 H new ATOM 0 HD2 TYR A 74 22.947 3.708 -3.149 1.00 55.13 H new ATOM 0 HE1 TYR A 74 25.135 0.393 -0.194 1.00 65.02 H new ATOM 0 HE2 TYR A 74 21.996 3.174 -0.863 1.00 30.14 H new ATOM 0 HH TYR A 74 22.559 2.271 1.140 1.00 63.13 H new ATOM 1150 N ILE A 75 27.564 1.497 -5.328 1.00 35.22 N ATOM 1151 CA ILE A 75 28.569 0.459 -5.491 1.00 2.31 C ATOM 1152 C ILE A 75 29.145 0.529 -6.906 1.00 30.40 C ATOM 1153 O ILE A 75 28.707 -0.199 -7.795 1.00 3.45 O ATOM 1154 CB ILE A 75 27.987 -0.910 -5.131 1.00 64.10 C ATOM 1155 CG1 ILE A 75 27.000 -0.797 -3.967 1.00 71.04 C ATOM 1156 CG2 ILE A 75 29.100 -1.920 -4.842 1.00 52.55 C ATOM 1157 CD1 ILE A 75 26.380 -2.158 -3.641 1.00 1.01 C ATOM 0 H ILE A 75 26.831 1.496 -6.037 1.00 35.22 H new ATOM 0 HA ILE A 75 29.398 0.620 -4.802 1.00 2.31 H new ATOM 0 HB ILE A 75 27.430 -1.281 -5.991 1.00 64.10 H new ATOM 0 HG12 ILE A 75 27.512 -0.406 -3.088 1.00 71.04 H new ATOM 0 HG13 ILE A 75 26.213 -0.086 -4.220 1.00 71.04 H new ATOM 0 HG21 ILE A 75 28.659 -2.884 -4.589 1.00 52.55 H new ATOM 0 HG22 ILE A 75 29.730 -2.029 -5.725 1.00 52.55 H new ATOM 0 HG23 ILE A 75 29.704 -1.567 -4.006 1.00 52.55 H new ATOM 0 HD11 ILE A 75 25.682 -2.050 -2.810 1.00 1.01 H new ATOM 0 HD12 ILE A 75 25.848 -2.534 -4.515 1.00 1.01 H new ATOM 0 HD13 ILE A 75 27.167 -2.860 -3.365 1.00 1.01 H new ATOM 1169 N PRO A 76 30.144 1.436 -7.075 1.00 75.43 N ATOM 1170 CA PRO A 76 30.785 1.612 -8.368 1.00 60.41 C ATOM 1171 C PRO A 76 31.738 0.453 -8.668 1.00 71.21 C ATOM 1172 O PRO A 76 32.699 0.228 -7.934 1.00 23.43 O ATOM 1173 CB PRO A 76 31.491 2.955 -8.278 1.00 52.32 C ATOM 1174 CG PRO A 76 31.609 3.264 -6.794 1.00 32.44 C ATOM 1175 CD PRO A 76 30.688 2.315 -6.045 1.00 2.31 C ATOM 0 HA PRO A 76 30.075 1.606 -9.195 1.00 60.41 H new ATOM 0 HB2 PRO A 76 32.474 2.912 -8.748 1.00 52.32 H new ATOM 0 HB3 PRO A 76 30.924 3.730 -8.795 1.00 52.32 H new ATOM 0 HG2 PRO A 76 32.639 3.140 -6.459 1.00 32.44 H new ATOM 0 HG3 PRO A 76 31.332 4.300 -6.597 1.00 32.44 H new ATOM 0 HD2 PRO A 76 31.232 1.749 -5.289 1.00 2.31 H new ATOM 0 HD3 PRO A 76 29.896 2.857 -5.529 1.00 2.31 H new ATOM 1183 N GLY A 77 31.439 -0.252 -9.750 1.00 41.14 N ATOM 1184 CA GLY A 77 32.257 -1.381 -10.157 1.00 61.20 C ATOM 1185 C GLY A 77 31.451 -2.681 -10.129 1.00 2.42 C ATOM 1186 O GLY A 77 31.849 -3.676 -10.734 1.00 31.14 O ATOM 0 H GLY A 77 30.641 -0.063 -10.357 1.00 41.14 H new ATOM 0 HA2 GLY A 77 32.644 -1.211 -11.162 1.00 61.20 H new ATOM 0 HA3 GLY A 77 33.118 -1.468 -9.494 1.00 61.20 H new ATOM 1190 N THR A 78 30.333 -2.632 -9.421 1.00 45.32 N ATOM 1191 CA THR A 78 29.467 -3.792 -9.306 1.00 52.32 C ATOM 1192 C THR A 78 29.271 -4.449 -10.674 1.00 15.00 C ATOM 1193 O THR A 78 29.457 -3.807 -11.707 1.00 74.51 O ATOM 1194 CB THR A 78 28.158 -3.343 -8.655 1.00 44.04 C ATOM 1195 OG1 THR A 78 27.409 -4.548 -8.513 1.00 51.42 O ATOM 1196 CG2 THR A 78 27.304 -2.482 -9.587 1.00 71.52 C ATOM 0 H THR A 78 30.006 -1.805 -8.920 1.00 45.32 H new ATOM 0 HA THR A 78 29.915 -4.558 -8.673 1.00 52.32 H new ATOM 0 HB THR A 78 28.379 -2.784 -7.746 1.00 44.04 H new ATOM 0 HG1 THR A 78 26.759 -4.445 -7.787 1.00 51.42 H new ATOM 0 HG21 THR A 78 26.387 -2.191 -9.075 1.00 71.52 H new ATOM 0 HG22 THR A 78 27.861 -1.589 -9.869 1.00 71.52 H new ATOM 0 HG23 THR A 78 27.054 -3.052 -10.482 1.00 71.52 H new ATOM 1204 N LYS A 79 28.899 -5.719 -10.637 1.00 35.35 N ATOM 1205 CA LYS A 79 28.676 -6.470 -11.862 1.00 23.13 C ATOM 1206 C LYS A 79 27.174 -6.700 -12.047 1.00 32.14 C ATOM 1207 O LYS A 79 26.757 -7.773 -12.480 1.00 61.34 O ATOM 1208 CB LYS A 79 29.500 -7.758 -11.858 1.00 4.04 C ATOM 1209 CG LYS A 79 29.659 -8.304 -10.438 1.00 33.42 C ATOM 1210 CD LYS A 79 30.335 -9.676 -10.449 1.00 24.30 C ATOM 1211 CE LYS A 79 29.849 -10.537 -9.281 1.00 10.21 C ATOM 1212 NZ LYS A 79 29.853 -11.968 -9.656 1.00 45.34 N1+ ATOM 0 H LYS A 79 28.746 -6.248 -9.778 1.00 35.35 H new ATOM 0 HA LYS A 79 29.021 -5.902 -12.726 1.00 23.13 H new ATOM 0 HB2 LYS A 79 29.016 -8.505 -12.486 1.00 4.04 H new ATOM 0 HB3 LYS A 79 30.482 -7.567 -12.290 1.00 4.04 H new ATOM 0 HG2 LYS A 79 30.250 -7.609 -9.842 1.00 33.42 H new ATOM 0 HG3 LYS A 79 28.681 -8.381 -9.963 1.00 33.42 H new ATOM 0 HD2 LYS A 79 30.123 -10.182 -11.391 1.00 24.30 H new ATOM 0 HD3 LYS A 79 31.416 -9.553 -10.389 1.00 24.30 H new ATOM 0 HE2 LYS A 79 30.491 -10.380 -8.414 1.00 10.21 H new ATOM 0 HE3 LYS A 79 28.843 -10.234 -8.992 1.00 10.21 H new ATOM 0 HZ1 LYS A 79 29.521 -12.538 -8.852 1.00 45.34 H new ATOM 0 HZ2 LYS A 79 29.222 -12.115 -10.470 1.00 45.34 H new ATOM 0 HZ3 LYS A 79 30.819 -12.258 -9.910 1.00 45.34 H new ATOM 1225 N MET A 80 26.405 -5.676 -11.711 1.00 75.05 N ATOM 1226 CA MET A 80 24.959 -5.754 -11.834 1.00 44.10 C ATOM 1227 C MET A 80 24.456 -4.850 -12.962 1.00 15.21 C ATOM 1228 O MET A 80 24.373 -3.634 -12.797 1.00 11.50 O ATOM 1229 CB MET A 80 24.310 -5.332 -10.514 1.00 41.23 C ATOM 1230 CG MET A 80 22.815 -5.063 -10.700 1.00 12.33 C ATOM 1231 SD MET A 80 21.950 -5.342 -9.164 1.00 55.50 S ATOM 1232 CE MET A 80 21.073 -3.795 -9.016 1.00 4.13 C ATOM 0 H MET A 80 26.755 -4.787 -11.353 1.00 75.05 H new ATOM 0 HA MET A 80 24.688 -6.783 -12.069 1.00 44.10 H new ATOM 0 HB2 MET A 80 24.453 -6.114 -9.768 1.00 41.23 H new ATOM 0 HB3 MET A 80 24.800 -4.436 -10.134 1.00 41.23 H new ATOM 0 HG2 MET A 80 22.660 -4.037 -11.033 1.00 12.33 H new ATOM 0 HG3 MET A 80 22.414 -5.714 -11.477 1.00 12.33 H new ATOM 0 HE1 MET A 80 20.637 -3.718 -8.020 1.00 4.13 H new ATOM 0 HE2 MET A 80 21.765 -2.968 -9.174 1.00 4.13 H new ATOM 0 HE3 MET A 80 20.281 -3.753 -9.763 1.00 4.13 H new ATOM 1242 N ILE A 81 24.133 -5.480 -14.082 1.00 73.13 N ATOM 1243 CA ILE A 81 23.640 -4.749 -15.236 1.00 63.41 C ATOM 1244 C ILE A 81 22.328 -4.052 -14.871 1.00 63.43 C ATOM 1245 O ILE A 81 21.348 -4.707 -14.522 1.00 21.32 O ATOM 1246 CB ILE A 81 23.528 -5.674 -16.450 1.00 65.11 C ATOM 1247 CG1 ILE A 81 24.908 -5.990 -17.028 1.00 3.45 C ATOM 1248 CG2 ILE A 81 22.585 -5.087 -17.502 1.00 43.10 C ATOM 1249 CD1 ILE A 81 25.330 -4.932 -18.051 1.00 64.30 C ATOM 0 H ILE A 81 24.203 -6.489 -14.214 1.00 73.13 H new ATOM 0 HA ILE A 81 24.346 -3.970 -15.523 1.00 63.41 H new ATOM 0 HB ILE A 81 23.094 -6.618 -16.121 1.00 65.11 H new ATOM 0 HG12 ILE A 81 25.642 -6.036 -16.223 1.00 3.45 H new ATOM 0 HG13 ILE A 81 24.892 -6.972 -17.501 1.00 3.45 H new ATOM 0 HG21 ILE A 81 22.524 -5.764 -18.354 1.00 43.10 H new ATOM 0 HG22 ILE A 81 21.593 -4.957 -17.069 1.00 43.10 H new ATOM 0 HG23 ILE A 81 22.966 -4.121 -17.833 1.00 43.10 H new ATOM 0 HD11 ILE A 81 26.315 -5.181 -18.446 1.00 64.30 H new ATOM 0 HD12 ILE A 81 24.607 -4.906 -18.867 1.00 64.30 H new ATOM 0 HD13 ILE A 81 25.369 -3.955 -17.569 1.00 64.30 H new ATOM 1261 N PHE A 82 22.353 -2.730 -14.964 1.00 51.30 N ATOM 1262 CA PHE A 82 21.177 -1.936 -14.648 1.00 2.04 C ATOM 1263 C PHE A 82 21.394 -0.465 -15.011 1.00 11.53 C ATOM 1264 O PHE A 82 22.469 -0.089 -15.474 1.00 33.35 O ATOM 1265 CB PHE A 82 20.954 -2.048 -13.138 1.00 11.41 C ATOM 1266 CG PHE A 82 19.570 -1.586 -12.676 1.00 52.20 C ATOM 1267 CD1 PHE A 82 18.458 -2.010 -13.334 1.00 24.33 C ATOM 1268 CD2 PHE A 82 19.453 -0.751 -11.609 1.00 64.53 C ATOM 1269 CE1 PHE A 82 17.174 -1.582 -12.906 1.00 21.13 C ATOM 1270 CE2 PHE A 82 18.169 -0.322 -11.181 1.00 62.32 C ATOM 1271 CZ PHE A 82 17.057 -0.746 -11.838 1.00 52.30 C ATOM 0 H PHE A 82 23.168 -2.189 -15.253 1.00 51.30 H new ATOM 0 HA PHE A 82 20.320 -2.300 -15.215 1.00 2.04 H new ATOM 0 HB2 PHE A 82 21.099 -3.085 -12.836 1.00 11.41 H new ATOM 0 HB3 PHE A 82 21.713 -1.458 -12.624 1.00 11.41 H new ATOM 0 HD1 PHE A 82 18.552 -2.672 -14.182 1.00 24.33 H new ATOM 0 HD2 PHE A 82 20.337 -0.414 -11.087 1.00 64.53 H new ATOM 0 HE1 PHE A 82 16.290 -1.919 -13.427 1.00 21.13 H new ATOM 0 HE2 PHE A 82 18.076 0.341 -10.334 1.00 62.32 H new ATOM 0 HZ PHE A 82 16.080 -0.419 -11.513 1.00 52.30 H new ATOM 1281 N VAL A 83 20.355 0.326 -14.787 1.00 11.14 N ATOM 1282 CA VAL A 83 20.419 1.746 -15.083 1.00 50.45 C ATOM 1283 C VAL A 83 19.933 2.540 -13.870 1.00 64.23 C ATOM 1284 O VAL A 83 20.614 3.453 -13.407 1.00 22.41 O ATOM 1285 CB VAL A 83 19.624 2.051 -16.355 1.00 72.20 C ATOM 1286 CG1 VAL A 83 20.199 1.298 -17.556 1.00 12.30 C ATOM 1287 CG2 VAL A 83 18.139 1.727 -16.164 1.00 22.20 C ATOM 0 H VAL A 83 19.464 0.010 -14.404 1.00 11.14 H new ATOM 0 HA VAL A 83 21.448 2.049 -15.277 1.00 50.45 H new ATOM 0 HB VAL A 83 19.712 3.119 -16.557 1.00 72.20 H new ATOM 0 HG11 VAL A 83 19.615 1.533 -18.446 1.00 12.30 H new ATOM 0 HG12 VAL A 83 21.235 1.598 -17.712 1.00 12.30 H new ATOM 0 HG13 VAL A 83 20.157 0.225 -17.367 1.00 12.30 H new ATOM 0 HG21 VAL A 83 17.596 1.953 -17.082 1.00 22.20 H new ATOM 0 HG22 VAL A 83 18.025 0.670 -15.926 1.00 22.20 H new ATOM 0 HG23 VAL A 83 17.737 2.328 -15.348 1.00 22.20 H new ATOM 1297 N GLY A 84 18.757 2.162 -13.388 1.00 42.12 N ATOM 1298 CA GLY A 84 18.172 2.827 -12.237 1.00 22.32 C ATOM 1299 C GLY A 84 16.681 3.097 -12.459 1.00 4.23 C ATOM 1300 O GLY A 84 16.156 2.846 -13.542 1.00 44.21 O ATOM 0 H GLY A 84 18.194 1.404 -13.774 1.00 42.12 H new ATOM 0 HA2 GLY A 84 18.305 2.209 -11.349 1.00 22.32 H new ATOM 0 HA3 GLY A 84 18.692 3.767 -12.052 1.00 22.32 H new ATOM 1304 N ILE A 85 16.043 3.605 -11.414 1.00 0.21 N ATOM 1305 CA ILE A 85 14.624 3.911 -11.482 1.00 22.34 C ATOM 1306 C ILE A 85 14.406 5.379 -11.108 1.00 73.43 C ATOM 1307 O ILE A 85 14.331 5.719 -9.929 1.00 55.21 O ATOM 1308 CB ILE A 85 13.824 2.932 -10.621 1.00 13.11 C ATOM 1309 CG1 ILE A 85 14.206 1.485 -10.936 1.00 31.10 C ATOM 1310 CG2 ILE A 85 12.320 3.173 -10.771 1.00 13.43 C ATOM 1311 CD1 ILE A 85 14.169 0.621 -9.674 1.00 71.13 C ATOM 0 H ILE A 85 16.482 3.812 -10.517 1.00 0.21 H new ATOM 0 HA ILE A 85 14.254 3.782 -12.499 1.00 22.34 H new ATOM 0 HB ILE A 85 14.077 3.111 -9.576 1.00 13.11 H new ATOM 0 HG12 ILE A 85 13.521 1.078 -11.680 1.00 31.10 H new ATOM 0 HG13 ILE A 85 15.205 1.455 -11.372 1.00 31.10 H new ATOM 0 HG21 ILE A 85 11.774 2.464 -10.149 1.00 13.43 H new ATOM 0 HG22 ILE A 85 12.081 4.189 -10.458 1.00 13.43 H new ATOM 0 HG23 ILE A 85 12.032 3.037 -11.813 1.00 13.43 H new ATOM 0 HD11 ILE A 85 14.445 -0.403 -9.926 1.00 71.13 H new ATOM 0 HD12 ILE A 85 14.873 1.016 -8.942 1.00 71.13 H new ATOM 0 HD13 ILE A 85 13.163 0.633 -9.254 1.00 71.13 H new ATOM 1323 N LYS A 86 14.310 6.209 -12.136 1.00 70.13 N ATOM 1324 CA LYS A 86 14.102 7.633 -11.931 1.00 52.41 C ATOM 1325 C LYS A 86 12.708 7.860 -11.344 1.00 72.24 C ATOM 1326 O LYS A 86 12.463 8.876 -10.694 1.00 12.14 O ATOM 1327 CB LYS A 86 14.356 8.403 -13.228 1.00 14.22 C ATOM 1328 CG LYS A 86 14.579 9.890 -12.947 1.00 24.43 C ATOM 1329 CD LYS A 86 15.418 10.538 -14.052 1.00 71.23 C ATOM 1330 CE LYS A 86 14.524 11.215 -15.094 1.00 51.35 C ATOM 1331 NZ LYS A 86 14.207 10.275 -16.193 1.00 32.04 N1+ ATOM 0 H LYS A 86 14.372 5.923 -13.113 1.00 70.13 H new ATOM 0 HA LYS A 86 14.820 8.024 -11.210 1.00 52.41 H new ATOM 0 HB2 LYS A 86 15.228 7.990 -13.736 1.00 14.22 H new ATOM 0 HB3 LYS A 86 13.507 8.279 -13.901 1.00 14.22 H new ATOM 0 HG2 LYS A 86 13.617 10.397 -12.871 1.00 24.43 H new ATOM 0 HG3 LYS A 86 15.080 10.011 -11.987 1.00 24.43 H new ATOM 0 HD2 LYS A 86 16.095 11.273 -13.616 1.00 71.23 H new ATOM 0 HD3 LYS A 86 16.037 9.782 -14.535 1.00 71.23 H new ATOM 0 HE2 LYS A 86 13.603 11.558 -14.624 1.00 51.35 H new ATOM 0 HE3 LYS A 86 15.025 12.096 -15.494 1.00 51.35 H new ATOM 0 HZ1 LYS A 86 13.600 10.750 -16.891 1.00 32.04 H new ATOM 0 HZ2 LYS A 86 15.088 9.968 -16.652 1.00 32.04 H new ATOM 0 HZ3 LYS A 86 13.710 9.446 -15.809 1.00 32.04 H new ATOM 1344 N LYS A 87 11.832 6.899 -11.592 1.00 51.43 N ATOM 1345 CA LYS A 87 10.469 6.981 -11.095 1.00 71.11 C ATOM 1346 C LYS A 87 10.448 6.605 -9.611 1.00 30.25 C ATOM 1347 O LYS A 87 10.654 5.445 -9.259 1.00 52.34 O ATOM 1348 CB LYS A 87 9.532 6.133 -11.957 1.00 51.42 C ATOM 1349 CG LYS A 87 9.538 6.614 -13.409 1.00 42.12 C ATOM 1350 CD LYS A 87 10.784 6.117 -14.146 1.00 3.45 C ATOM 1351 CE LYS A 87 10.544 6.068 -15.657 1.00 15.15 C ATOM 1352 NZ LYS A 87 9.773 7.251 -16.098 1.00 2.13 N1+ ATOM 0 H LYS A 87 12.039 6.058 -12.131 1.00 51.43 H new ATOM 0 HA LYS A 87 10.097 8.003 -11.171 1.00 71.11 H new ATOM 0 HB2 LYS A 87 9.839 5.088 -11.915 1.00 51.42 H new ATOM 0 HB3 LYS A 87 8.519 6.184 -11.558 1.00 51.42 H new ATOM 0 HG2 LYS A 87 8.643 6.256 -13.918 1.00 42.12 H new ATOM 0 HG3 LYS A 87 9.506 7.703 -13.435 1.00 42.12 H new ATOM 0 HD2 LYS A 87 11.626 6.775 -13.929 1.00 3.45 H new ATOM 0 HD3 LYS A 87 11.053 5.125 -13.784 1.00 3.45 H new ATOM 0 HE2 LYS A 87 11.499 6.033 -16.182 1.00 15.15 H new ATOM 0 HE3 LYS A 87 10.004 5.157 -15.916 1.00 15.15 H new ATOM 0 HZ1 LYS A 87 9.903 7.389 -17.121 1.00 2.13 H new ATOM 0 HZ2 LYS A 87 8.764 7.103 -15.895 1.00 2.13 H new ATOM 0 HZ3 LYS A 87 10.109 8.094 -15.589 1.00 2.13 H new ATOM 1365 N LYS A 88 10.195 7.608 -8.784 1.00 73.34 N ATOM 1366 CA LYS A 88 10.145 7.398 -7.346 1.00 10.55 C ATOM 1367 C LYS A 88 8.939 6.519 -7.007 1.00 15.32 C ATOM 1368 O LYS A 88 8.999 5.707 -6.085 1.00 51.24 O ATOM 1369 CB LYS A 88 10.155 8.738 -6.608 1.00 73.43 C ATOM 1370 CG LYS A 88 8.740 9.300 -6.470 1.00 35.34 C ATOM 1371 CD LYS A 88 8.759 10.678 -5.807 1.00 1.31 C ATOM 1372 CE LYS A 88 8.818 10.552 -4.283 1.00 44.14 C ATOM 1373 NZ LYS A 88 8.593 11.868 -3.645 1.00 21.31 N1+ ATOM 0 H LYS A 88 10.022 8.568 -9.081 1.00 73.34 H new ATOM 0 HA LYS A 88 11.034 6.867 -7.007 1.00 10.55 H new ATOM 0 HB2 LYS A 88 10.597 8.609 -5.620 1.00 73.43 H new ATOM 0 HB3 LYS A 88 10.781 9.449 -7.147 1.00 73.43 H new ATOM 0 HG2 LYS A 88 8.276 9.372 -7.454 1.00 35.34 H new ATOM 0 HG3 LYS A 88 8.130 8.617 -5.879 1.00 35.34 H new ATOM 0 HD2 LYS A 88 9.620 11.245 -6.162 1.00 1.31 H new ATOM 0 HD3 LYS A 88 7.868 11.237 -6.095 1.00 1.31 H new ATOM 0 HE2 LYS A 88 8.065 9.842 -3.941 1.00 44.14 H new ATOM 0 HE3 LYS A 88 9.788 10.157 -3.982 1.00 44.14 H new ATOM 0 HZ1 LYS A 88 8.636 11.764 -2.611 1.00 21.31 H new ATOM 0 HZ2 LYS A 88 9.327 12.535 -3.957 1.00 21.31 H new ATOM 0 HZ3 LYS A 88 7.657 12.231 -3.918 1.00 21.31 H new ATOM 1386 N GLU A 89 7.873 6.711 -7.770 1.00 4.13 N ATOM 1387 CA GLU A 89 6.656 5.944 -7.562 1.00 30.31 C ATOM 1388 C GLU A 89 6.942 4.447 -7.694 1.00 34.03 C ATOM 1389 O GLU A 89 6.742 3.688 -6.746 1.00 20.11 O ATOM 1390 CB GLU A 89 5.560 6.382 -8.535 1.00 13.22 C ATOM 1391 CG GLU A 89 4.178 5.973 -8.024 1.00 72.24 C ATOM 1392 CD GLU A 89 3.642 6.991 -7.016 1.00 43.14 C ATOM 1393 OE1 GLU A 89 2.656 7.687 -7.302 1.00 43.15 O ATOM 1394 OE2 GLU A 89 4.287 7.046 -5.900 1.00 73.44 O1- ATOM 0 H GLU A 89 7.827 7.386 -8.533 1.00 4.13 H new ATOM 0 HA GLU A 89 6.297 6.136 -6.551 1.00 30.31 H new ATOM 0 HB2 GLU A 89 5.597 7.463 -8.668 1.00 13.22 H new ATOM 0 HB3 GLU A 89 5.737 5.935 -9.513 1.00 13.22 H new ATOM 0 HG2 GLU A 89 3.487 5.888 -8.863 1.00 72.24 H new ATOM 0 HG3 GLU A 89 4.235 4.990 -7.557 1.00 72.24 H new ATOM 1402 N GLU A 90 7.405 4.068 -8.876 1.00 5.05 N ATOM 1403 CA GLU A 90 7.719 2.675 -9.144 1.00 64.24 C ATOM 1404 C GLU A 90 8.810 2.184 -8.190 1.00 42.35 C ATOM 1405 O GLU A 90 8.947 0.983 -7.962 1.00 45.31 O ATOM 1406 CB GLU A 90 8.137 2.478 -10.602 1.00 25.43 C ATOM 1407 CG GLU A 90 7.040 2.957 -11.556 1.00 31.10 C ATOM 1408 CD GLU A 90 7.174 2.288 -12.925 1.00 25.43 C ATOM 1409 OE1 GLU A 90 7.903 1.294 -13.061 1.00 53.11 O ATOM 1410 OE2 GLU A 90 6.484 2.834 -13.869 1.00 24.22 O1- ATOM 0 H GLU A 90 7.570 4.701 -9.659 1.00 5.05 H new ATOM 0 HA GLU A 90 6.821 2.081 -8.974 1.00 64.24 H new ATOM 0 HB2 GLU A 90 9.059 3.026 -10.797 1.00 25.43 H new ATOM 0 HB3 GLU A 90 8.348 1.424 -10.784 1.00 25.43 H new ATOM 0 HG2 GLU A 90 6.061 2.733 -11.132 1.00 31.10 H new ATOM 0 HG3 GLU A 90 7.098 4.040 -11.669 1.00 31.10 H new ATOM 1418 N ARG A 91 9.560 3.139 -7.660 1.00 31.35 N ATOM 1419 CA ARG A 91 10.636 2.820 -6.736 1.00 20.15 C ATOM 1420 C ARG A 91 10.072 2.547 -5.339 1.00 3.32 C ATOM 1421 O ARG A 91 10.608 1.724 -4.599 1.00 1.04 O ATOM 1422 CB ARG A 91 11.651 3.960 -6.656 1.00 14.11 C ATOM 1423 CG ARG A 91 12.899 3.642 -7.482 1.00 42.25 C ATOM 1424 CD ARG A 91 14.173 3.966 -6.696 1.00 41.32 C ATOM 1425 NE ARG A 91 14.054 3.463 -5.310 1.00 5.33 N ATOM 1426 CZ ARG A 91 14.029 2.154 -4.979 1.00 1.11 C ATOM 1427 NH1 ARG A 91 14.114 1.205 -5.935 1.00 41.21 N ATOM 1428 NH2 ARG A 91 13.920 1.818 -3.707 1.00 32.24 N1+ ATOM 0 H ARG A 91 9.444 4.134 -7.853 1.00 31.35 H new ATOM 0 HA ARG A 91 11.140 1.928 -7.109 1.00 20.15 H new ATOM 0 HB2 ARG A 91 11.197 4.882 -7.018 1.00 14.11 H new ATOM 0 HB3 ARG A 91 11.932 4.129 -5.617 1.00 14.11 H new ATOM 0 HG2 ARG A 91 12.897 2.588 -7.760 1.00 42.25 H new ATOM 0 HG3 ARG A 91 12.883 4.216 -8.408 1.00 42.25 H new ATOM 0 HD2 ARG A 91 15.036 3.512 -7.183 1.00 41.32 H new ATOM 0 HD3 ARG A 91 14.341 5.043 -6.688 1.00 41.32 H new ATOM 0 HE ARG A 91 13.987 4.148 -4.557 1.00 5.33 H new ATOM 0 HH11 ARG A 91 14.198 1.475 -6.915 1.00 41.21 H new ATOM 0 HH12 ARG A 91 14.094 0.218 -5.677 1.00 41.21 H new ATOM 0 HH21 ARG A 91 13.856 2.542 -2.992 1.00 32.24 H new ATOM 0 HH22 ARG A 91 13.900 0.834 -3.439 1.00 32.24 H new ATOM 1441 N ALA A 92 8.999 3.256 -5.021 1.00 43.14 N ATOM 1442 CA ALA A 92 8.358 3.102 -3.726 1.00 61.50 C ATOM 1443 C ALA A 92 7.335 1.966 -3.801 1.00 12.24 C ATOM 1444 O ALA A 92 6.780 1.557 -2.781 1.00 11.23 O ATOM 1445 CB ALA A 92 7.725 4.430 -3.308 1.00 62.14 C ATOM 0 H ALA A 92 8.557 3.938 -5.637 1.00 43.14 H new ATOM 0 HA ALA A 92 9.091 2.837 -2.964 1.00 61.50 H new ATOM 0 HB1 ALA A 92 7.244 4.314 -2.337 1.00 62.14 H new ATOM 0 HB2 ALA A 92 8.497 5.196 -3.242 1.00 62.14 H new ATOM 0 HB3 ALA A 92 6.982 4.727 -4.048 1.00 62.14 H new ATOM 1451 N ASP A 93 7.117 1.488 -5.017 1.00 75.33 N ATOM 1452 CA ASP A 93 6.171 0.407 -5.237 1.00 73.40 C ATOM 1453 C ASP A 93 6.923 -0.925 -5.268 1.00 31.00 C ATOM 1454 O ASP A 93 6.490 -1.899 -4.655 1.00 62.34 O ATOM 1455 CB ASP A 93 5.448 0.573 -6.575 1.00 62.14 C ATOM 1456 CG ASP A 93 4.313 1.600 -6.575 1.00 74.20 C ATOM 1457 OD1 ASP A 93 3.519 1.674 -5.625 1.00 71.11 O ATOM 1458 OD2 ASP A 93 4.262 2.356 -7.619 1.00 64.24 O1- ATOM 0 H ASP A 93 7.579 1.829 -5.860 1.00 75.33 H new ATOM 0 HA ASP A 93 5.441 0.427 -4.427 1.00 73.40 H new ATOM 0 HB2 ASP A 93 6.178 0.861 -7.332 1.00 62.14 H new ATOM 0 HB3 ASP A 93 5.043 -0.394 -6.874 1.00 62.14 H new ATOM 1464 N LEU A 94 8.034 -0.924 -5.988 1.00 12.24 N ATOM 1465 CA LEU A 94 8.850 -2.121 -6.106 1.00 1.33 C ATOM 1466 C LEU A 94 9.214 -2.625 -4.708 1.00 21.32 C ATOM 1467 O LEU A 94 9.173 -3.827 -4.448 1.00 4.12 O ATOM 1468 CB LEU A 94 10.064 -1.855 -6.999 1.00 1.22 C ATOM 1469 CG LEU A 94 10.599 -3.057 -7.779 1.00 64.13 C ATOM 1470 CD1 LEU A 94 11.694 -2.632 -8.759 1.00 14.55 C ATOM 1471 CD2 LEU A 94 11.074 -4.159 -6.829 1.00 54.24 C ATOM 0 H LEU A 94 8.389 -0.114 -6.496 1.00 12.24 H new ATOM 0 HA LEU A 94 8.290 -2.917 -6.596 1.00 1.33 H new ATOM 0 HB2 LEU A 94 9.802 -1.073 -7.711 1.00 1.22 H new ATOM 0 HB3 LEU A 94 10.869 -1.463 -6.377 1.00 1.22 H new ATOM 0 HG LEU A 94 9.783 -3.472 -8.370 1.00 64.13 H new ATOM 0 HD11 LEU A 94 12.057 -3.506 -9.300 1.00 14.55 H new ATOM 0 HD12 LEU A 94 11.288 -1.909 -9.467 1.00 14.55 H new ATOM 0 HD13 LEU A 94 12.518 -2.178 -8.209 1.00 14.55 H new ATOM 0 HD21 LEU A 94 11.450 -5.002 -7.409 1.00 54.24 H new ATOM 0 HD22 LEU A 94 11.870 -3.773 -6.193 1.00 54.24 H new ATOM 0 HD23 LEU A 94 10.241 -4.488 -6.208 1.00 54.24 H new ATOM 1483 N ILE A 95 9.561 -1.681 -3.845 1.00 21.15 N ATOM 1484 CA ILE A 95 9.931 -2.015 -2.480 1.00 63.21 C ATOM 1485 C ILE A 95 8.744 -2.682 -1.783 1.00 63.41 C ATOM 1486 O ILE A 95 8.915 -3.660 -1.058 1.00 23.11 O ATOM 1487 CB ILE A 95 10.458 -0.778 -1.750 1.00 43.12 C ATOM 1488 CG1 ILE A 95 11.617 -0.141 -2.519 1.00 32.14 C ATOM 1489 CG2 ILE A 95 10.843 -1.115 -0.308 1.00 73.02 C ATOM 1490 CD1 ILE A 95 11.926 1.259 -1.983 1.00 73.24 C ATOM 0 H ILE A 95 9.594 -0.685 -4.065 1.00 21.15 H new ATOM 0 HA ILE A 95 10.750 -2.734 -2.472 1.00 63.21 H new ATOM 0 HB ILE A 95 9.657 -0.040 -1.705 1.00 43.12 H new ATOM 0 HG12 ILE A 95 12.503 -0.770 -2.436 1.00 32.14 H new ATOM 0 HG13 ILE A 95 11.367 -0.082 -3.578 1.00 32.14 H new ATOM 0 HG21 ILE A 95 11.214 -0.219 0.188 1.00 73.02 H new ATOM 0 HG22 ILE A 95 9.968 -1.489 0.224 1.00 73.02 H new ATOM 0 HG23 ILE A 95 11.621 -1.878 -0.308 1.00 73.02 H new ATOM 0 HD11 ILE A 95 12.754 1.690 -2.547 1.00 73.24 H new ATOM 0 HD12 ILE A 95 11.045 1.892 -2.090 1.00 73.24 H new ATOM 0 HD13 ILE A 95 12.199 1.193 -0.930 1.00 73.24 H new ATOM 1502 N ALA A 96 7.566 -2.125 -2.026 1.00 32.22 N ATOM 1503 CA ALA A 96 6.351 -2.653 -1.431 1.00 61.14 C ATOM 1504 C ALA A 96 6.311 -4.171 -1.625 1.00 33.13 C ATOM 1505 O ALA A 96 6.095 -4.916 -0.672 1.00 22.11 O ATOM 1506 CB ALA A 96 5.137 -1.955 -2.045 1.00 55.41 C ATOM 0 H ALA A 96 7.428 -1.313 -2.627 1.00 32.22 H new ATOM 0 HA ALA A 96 6.332 -2.457 -0.359 1.00 61.14 H new ATOM 0 HB1 ALA A 96 4.225 -2.351 -1.598 1.00 55.41 H new ATOM 0 HB2 ALA A 96 5.198 -0.884 -1.854 1.00 55.41 H new ATOM 0 HB3 ALA A 96 5.121 -2.132 -3.120 1.00 55.41 H new ATOM 1512 N TYR A 97 6.522 -4.582 -2.868 1.00 60.33 N ATOM 1513 CA TYR A 97 6.512 -5.996 -3.199 1.00 13.11 C ATOM 1514 C TYR A 97 7.746 -6.702 -2.630 1.00 22.34 C ATOM 1515 O TYR A 97 7.621 -7.624 -1.824 1.00 64.42 O ATOM 1516 CB TYR A 97 6.557 -6.072 -4.726 1.00 3.14 C ATOM 1517 CG TYR A 97 6.931 -7.452 -5.270 1.00 15.05 C ATOM 1518 CD1 TYR A 97 6.551 -8.589 -4.588 1.00 21.51 C ATOM 1519 CD2 TYR A 97 7.648 -7.560 -6.445 1.00 74.52 C ATOM 1520 CE1 TYR A 97 6.903 -9.888 -5.099 1.00 54.24 C ATOM 1521 CE2 TYR A 97 8.001 -8.858 -6.957 1.00 1.23 C ATOM 1522 CZ TYR A 97 7.610 -9.959 -6.259 1.00 73.54 C ATOM 1523 OH TYR A 97 7.943 -11.185 -6.743 1.00 60.45 O ATOM 0 H TYR A 97 6.701 -3.960 -3.657 1.00 60.33 H new ATOM 0 HA TYR A 97 5.630 -6.481 -2.781 1.00 13.11 H new ATOM 0 HB2 TYR A 97 5.582 -5.789 -5.122 1.00 3.14 H new ATOM 0 HB3 TYR A 97 7.276 -5.340 -5.095 1.00 3.14 H new ATOM 0 HD1 TYR A 97 5.989 -8.505 -3.670 1.00 21.51 H new ATOM 0 HD2 TYR A 97 7.944 -6.670 -6.980 1.00 74.52 H new ATOM 0 HE1 TYR A 97 6.612 -10.786 -4.573 1.00 54.24 H new ATOM 0 HE2 TYR A 97 8.563 -8.956 -7.874 1.00 1.23 H new ATOM 0 HH TYR A 97 8.446 -11.082 -7.578 1.00 60.45 H new ATOM 1533 N LEU A 98 8.907 -6.241 -3.069 1.00 52.20 N ATOM 1534 CA LEU A 98 10.161 -6.816 -2.614 1.00 32.23 C ATOM 1535 C LEU A 98 10.067 -7.110 -1.115 1.00 0.11 C ATOM 1536 O LEU A 98 10.627 -8.095 -0.636 1.00 31.23 O ATOM 1537 CB LEU A 98 11.334 -5.909 -2.990 1.00 12.22 C ATOM 1538 CG LEU A 98 11.915 -6.110 -4.391 1.00 61.35 C ATOM 1539 CD1 LEU A 98 13.034 -5.105 -4.671 1.00 55.52 C ATOM 1540 CD2 LEU A 98 12.380 -7.554 -4.590 1.00 14.05 C ATOM 0 H LEU A 98 9.006 -5.475 -3.736 1.00 52.20 H new ATOM 0 HA LEU A 98 10.349 -7.766 -3.115 1.00 32.23 H new ATOM 0 HB2 LEU A 98 11.010 -4.872 -2.898 1.00 12.22 H new ATOM 0 HB3 LEU A 98 12.132 -6.059 -2.262 1.00 12.22 H new ATOM 0 HG LEU A 98 11.124 -5.923 -5.118 1.00 61.35 H new ATOM 0 HD11 LEU A 98 13.429 -5.270 -5.673 1.00 55.52 H new ATOM 0 HD12 LEU A 98 12.639 -4.092 -4.599 1.00 55.52 H new ATOM 0 HD13 LEU A 98 13.832 -5.236 -3.940 1.00 55.52 H new ATOM 0 HD21 LEU A 98 12.789 -7.670 -5.594 1.00 14.05 H new ATOM 0 HD22 LEU A 98 13.149 -7.793 -3.855 1.00 14.05 H new ATOM 0 HD23 LEU A 98 11.534 -8.229 -4.463 1.00 14.05 H new ATOM 1552 N LYS A 99 9.356 -6.238 -0.417 1.00 42.13 N ATOM 1553 CA LYS A 99 9.182 -6.392 1.018 1.00 65.14 C ATOM 1554 C LYS A 99 8.433 -7.695 1.299 1.00 74.10 C ATOM 1555 O LYS A 99 8.896 -8.526 2.080 1.00 12.40 O ATOM 1556 CB LYS A 99 8.507 -5.154 1.611 1.00 53.10 C ATOM 1557 CG LYS A 99 8.304 -5.310 3.120 1.00 51.40 C ATOM 1558 CD LYS A 99 8.166 -3.946 3.799 1.00 53.31 C ATOM 1559 CE LYS A 99 8.393 -4.059 5.308 1.00 14.20 C ATOM 1560 NZ LYS A 99 7.942 -5.379 5.803 1.00 30.50 N1+ ATOM 0 H LYS A 99 8.893 -5.422 -0.818 1.00 42.13 H new ATOM 0 HA LYS A 99 10.150 -6.467 1.514 1.00 65.14 H new ATOM 0 HB2 LYS A 99 9.116 -4.272 1.412 1.00 53.10 H new ATOM 0 HB3 LYS A 99 7.544 -4.993 1.126 1.00 53.10 H new ATOM 0 HG2 LYS A 99 7.412 -5.907 3.311 1.00 51.40 H new ATOM 0 HG3 LYS A 99 9.147 -5.851 3.550 1.00 51.40 H new ATOM 0 HD2 LYS A 99 8.886 -3.248 3.371 1.00 53.31 H new ATOM 0 HD3 LYS A 99 7.173 -3.539 3.606 1.00 53.31 H new ATOM 0 HE2 LYS A 99 9.450 -3.921 5.534 1.00 14.20 H new ATOM 0 HE3 LYS A 99 7.851 -3.266 5.824 1.00 14.20 H new ATOM 0 HZ1 LYS A 99 7.814 -5.338 6.834 1.00 30.50 H new ATOM 0 HZ2 LYS A 99 7.039 -5.629 5.351 1.00 30.50 H new ATOM 0 HZ3 LYS A 99 8.656 -6.099 5.572 1.00 30.50 H new ATOM 1573 N LYS A 100 7.287 -7.834 0.648 1.00 45.50 N ATOM 1574 CA LYS A 100 6.468 -9.023 0.819 1.00 71.42 C ATOM 1575 C LYS A 100 7.150 -10.208 0.132 1.00 15.31 C ATOM 1576 O LYS A 100 6.786 -11.360 0.369 1.00 13.03 O ATOM 1577 CB LYS A 100 5.042 -8.765 0.329 1.00 23.01 C ATOM 1578 CG LYS A 100 4.062 -9.764 0.948 1.00 62.30 C ATOM 1579 CD LYS A 100 2.728 -9.760 0.197 1.00 21.42 C ATOM 1580 CE LYS A 100 1.754 -8.754 0.814 1.00 4.03 C ATOM 1581 NZ LYS A 100 1.123 -9.321 2.027 1.00 72.11 N1+ ATOM 0 H LYS A 100 6.906 -7.143 0.001 1.00 45.50 H new ATOM 0 HA LYS A 100 6.376 -9.276 1.875 1.00 71.42 H new ATOM 0 HB2 LYS A 100 4.743 -7.749 0.587 1.00 23.01 H new ATOM 0 HB3 LYS A 100 5.007 -8.841 -0.758 1.00 23.01 H new ATOM 0 HG2 LYS A 100 4.494 -10.765 0.925 1.00 62.30 H new ATOM 0 HG3 LYS A 100 3.895 -9.513 1.996 1.00 62.30 H new ATOM 0 HD2 LYS A 100 2.897 -9.512 -0.851 1.00 21.42 H new ATOM 0 HD3 LYS A 100 2.290 -10.758 0.222 1.00 21.42 H new ATOM 0 HE2 LYS A 100 2.283 -7.835 1.068 1.00 4.03 H new ATOM 0 HE3 LYS A 100 0.986 -8.489 0.087 1.00 4.03 H new ATOM 0 HZ1 LYS A 100 0.452 -8.632 2.424 1.00 72.11 H new ATOM 0 HZ2 LYS A 100 0.616 -10.194 1.779 1.00 72.11 H new ATOM 0 HZ3 LYS A 100 1.857 -9.535 2.732 1.00 72.11 H new ATOM 1594 N ALA A 101 8.127 -9.886 -0.703 1.00 64.02 N ATOM 1595 CA ALA A 101 8.862 -10.910 -1.425 1.00 24.13 C ATOM 1596 C ALA A 101 10.014 -11.415 -0.553 1.00 72.45 C ATOM 1597 O ALA A 101 10.395 -12.582 -0.636 1.00 21.11 O ATOM 1598 CB ALA A 101 9.347 -10.345 -2.761 1.00 75.14 C ATOM 0 H ALA A 101 8.427 -8.930 -0.896 1.00 64.02 H new ATOM 0 HA ALA A 101 8.218 -11.761 -1.646 1.00 24.13 H new ATOM 0 HB1 ALA A 101 9.898 -11.114 -3.302 1.00 75.14 H new ATOM 0 HB2 ALA A 101 8.490 -10.027 -3.354 1.00 75.14 H new ATOM 0 HB3 ALA A 101 9.999 -9.491 -2.580 1.00 75.14 H new ATOM 1604 N THR A 102 10.537 -10.511 0.263 1.00 15.34 N ATOM 1605 CA THR A 102 11.637 -10.850 1.150 1.00 4.43 C ATOM 1606 C THR A 102 11.182 -10.795 2.609 1.00 51.23 C ATOM 1607 O THR A 102 11.981 -10.511 3.501 1.00 33.25 O ATOM 1608 CB THR A 102 12.801 -9.908 0.839 1.00 53.10 C ATOM 1609 OG1 THR A 102 12.377 -8.649 1.354 1.00 60.21 O ATOM 1610 CG2 THR A 102 12.969 -9.660 -0.661 1.00 73.13 C ATOM 0 H THR A 102 10.219 -9.544 0.328 1.00 15.34 H new ATOM 0 HA THR A 102 11.976 -11.873 0.988 1.00 4.43 H new ATOM 0 HB THR A 102 13.723 -10.326 1.243 1.00 53.10 H new ATOM 0 HG1 THR A 102 11.822 -8.193 0.687 1.00 60.21 H new ATOM 0 HG21 THR A 102 13.809 -8.985 -0.826 1.00 73.13 H new ATOM 0 HG22 THR A 102 13.159 -10.606 -1.167 1.00 73.13 H new ATOM 0 HG23 THR A 102 12.059 -9.212 -1.060 1.00 73.13 H new ATOM 1618 N ASN A 103 9.901 -11.068 2.808 1.00 70.44 N ATOM 1619 CA ASN A 103 9.330 -11.053 4.144 1.00 11.44 C ATOM 1620 C ASN A 103 8.842 -12.458 4.502 1.00 44.21 C ATOM 1621 O ASN A 103 9.050 -12.925 5.621 1.00 20.15 O ATOM 1622 CB ASN A 103 8.135 -10.102 4.221 1.00 54.20 C ATOM 1623 CG ASN A 103 7.346 -10.316 5.516 1.00 33.53 C ATOM 1624 OD1 ASN A 103 7.897 -10.572 6.574 1.00 4.43 O ATOM 1625 ND2 ASN A 103 6.030 -10.198 5.372 1.00 23.31 N ATOM 0 H ASN A 103 9.242 -11.301 2.065 1.00 70.44 H new ATOM 0 HA ASN A 103 10.102 -10.718 4.837 1.00 11.44 H new ATOM 0 HB2 ASN A 103 8.483 -9.070 4.169 1.00 54.20 H new ATOM 0 HB3 ASN A 103 7.482 -10.262 3.363 1.00 54.20 H new ATOM 0 HD21 ASN A 103 5.416 -10.323 6.177 1.00 23.31 H new ATOM 0 HD22 ASN A 103 5.634 -9.982 4.457 1.00 23.31 H new ATOM 1632 N GLU A 104 8.201 -13.092 3.531 1.00 23.13 N ATOM 1633 CA GLU A 104 7.681 -14.434 3.730 1.00 54.13 C ATOM 1634 C GLU A 104 8.701 -15.293 4.480 1.00 73.12 C ATOM 1635 O GLU A 104 9.854 -15.398 4.065 1.00 31.02 O ATOM 1636 CB GLU A 104 7.299 -15.077 2.395 1.00 64.13 C ATOM 1637 CG GLU A 104 6.105 -14.359 1.762 1.00 74.30 C ATOM 1638 CD GLU A 104 4.918 -14.314 2.727 1.00 30.24 C ATOM 1639 OE1 GLU A 104 4.674 -15.287 3.455 1.00 70.41 O ATOM 1640 OE2 GLU A 104 4.239 -13.217 2.704 1.00 71.21 O1- ATOM 0 H GLU A 104 8.030 -12.701 2.604 1.00 23.13 H new ATOM 0 HA GLU A 104 6.777 -14.366 4.336 1.00 54.13 H new ATOM 0 HB2 GLU A 104 8.150 -15.044 1.715 1.00 64.13 H new ATOM 0 HB3 GLU A 104 7.055 -16.128 2.550 1.00 64.13 H new ATOM 0 HG2 GLU A 104 6.391 -13.345 1.485 1.00 74.30 H new ATOM 0 HG3 GLU A 104 5.813 -14.870 0.845 1.00 74.30 H new TER 1648 GLU A 104 HETATM 1649 FE HEC A 500 20.831 -7.179 -8.442 1.00 34.12 FE HETATM 1650 CHA HEC A 500 23.522 -7.393 -6.277 1.00 70.41 C HETATM 1651 CHB HEC A 500 19.068 -5.426 -6.082 1.00 51.40 C HETATM 1652 CHC HEC A 500 18.634 -6.433 -10.870 1.00 30.32 C HETATM 1653 CHD HEC A 500 22.493 -9.384 -10.583 1.00 22.15 C HETATM 1654 NA HEC A 500 21.252 -6.468 -6.558 1.00 31.22 N HETATM 1655 C1A HEC A 500 22.411 -6.677 -5.892 1.00 70.42 C HETATM 1656 C2A HEC A 500 22.287 -6.096 -4.591 1.00 55.42 C HETATM 1657 C3A HEC A 500 21.031 -5.546 -4.500 1.00 21.02 C HETATM 1658 C4A HEC A 500 20.366 -5.809 -5.758 1.00 11.25 C HETATM 1659 CMA HEC A 500 20.493 -4.763 -3.330 1.00 33.23 C HETATM 1660 CAA HEC A 500 23.309 -6.244 -3.500 1.00 52.15 C HETATM 1661 CBA HEC A 500 22.996 -7.367 -2.508 1.00 50.33 C HETATM 1662 CGA HEC A 500 22.955 -8.706 -3.230 1.00 24.15 C HETATM 1663 O1A HEC A 500 23.860 -8.942 -4.057 1.00 51.15 O HETATM 1664 O2A HEC A 500 22.059 -9.505 -2.878 1.00 64.43 O HETATM 1665 NB HEC A 500 19.113 -6.196 -8.448 1.00 15.25 N HETATM 1666 C1B HEC A 500 18.543 -5.586 -7.370 1.00 55.24 C HETATM 1667 C2B HEC A 500 17.259 -5.093 -7.799 1.00 23.13 C HETATM 1668 C3B HEC A 500 17.201 -5.243 -9.169 1.00 22.40 C HETATM 1669 C4B HEC A 500 18.369 -5.995 -9.564 1.00 23.25 C HETATM 1670 CMB HEC A 500 16.190 -4.538 -6.896 1.00 22.42 C HETATM 1671 CAB HEC A 500 16.099 -4.782 -10.100 1.00 55.14 C HETATM 1672 CBB HEC A 500 15.487 -3.416 -9.772 1.00 1.25 C HETATM 1673 NC HEC A 500 20.579 -7.834 -10.386 1.00 13.44 N HETATM 1674 C1C HEC A 500 19.594 -7.385 -11.186 1.00 70.35 C HETATM 1675 C2C HEC A 500 19.660 -8.129 -12.427 1.00 1.23 C HETATM 1676 C3C HEC A 500 20.662 -9.065 -12.283 1.00 62.35 C HETATM 1677 C4C HEC A 500 21.322 -8.777 -11.029 1.00 2.33 C HETATM 1678 CMC HEC A 500 18.672 -8.056 -13.567 1.00 14.53 C HETATM 1679 CAC HEC A 500 20.966 -10.248 -13.196 1.00 40.04 C HETATM 1680 CBC HEC A 500 21.422 -9.856 -14.606 1.00 35.45 C HETATM 1681 ND HEC A 500 22.667 -8.221 -8.417 1.00 31.33 N HETATM 1682 C1D HEC A 500 23.107 -9.072 -9.379 1.00 44.31 C HETATM 1683 C2D HEC A 500 24.386 -9.590 -8.949 1.00 33.44 C HETATM 1684 C3D HEC A 500 24.692 -8.978 -7.759 1.00 2.54 C HETATM 1685 C4D HEC A 500 23.581 -8.135 -7.425 1.00 41.22 C HETATM 1686 CMD HEC A 500 25.255 -10.584 -9.672 1.00 21.21 C HETATM 1687 CAD HEC A 500 26.005 -9.065 -7.022 1.00 14.14 C HETATM 1688 CBD HEC A 500 27.055 -8.155 -7.657 1.00 13.53 C HETATM 1689 CGD HEC A 500 27.044 -6.764 -7.058 1.00 13.34 C HETATM 1690 O1D HEC A 500 25.950 -6.173 -6.972 1.00 32.14 O HETATM 1691 O2D HEC A 500 28.138 -6.278 -6.713 1.00 31.10 O HETATM 0 HMD3 HEC A 500 24.708 -11.517 -9.804 1.00 21.21 H new HETATM 0 HMD2 HEC A 500 25.531 -10.184 -10.648 1.00 21.21 H new HETATM 0 HMD1 HEC A 500 26.156 -10.772 -9.088 1.00 21.21 H new HETATM 0 HMC3 HEC A 500 17.684 -8.350 -13.212 1.00 14.53 H new HETATM 0 HMC2 HEC A 500 18.632 -7.036 -13.949 1.00 14.53 H new HETATM 0 HMC1 HEC A 500 18.986 -8.730 -14.364 1.00 14.53 H new HETATM 0 HMB3 HEC A 500 15.890 -5.300 -6.177 1.00 22.42 H new HETATM 0 HMB2 HEC A 500 16.578 -3.670 -6.364 1.00 22.42 H new HETATM 0 HMB1 HEC A 500 15.327 -4.242 -7.493 1.00 22.42 H new HETATM 0 HMA3 HEC A 500 20.507 -5.388 -2.437 1.00 33.23 H new HETATM 0 HMA2 HEC A 500 21.113 -3.882 -3.166 1.00 33.23 H new HETATM 0 HMA1 HEC A 500 19.470 -4.452 -3.540 1.00 33.23 H new HETATM 0 HBD2 HEC A 500 28.043 -8.597 -7.527 1.00 13.53 H new HETATM 0 HBD1 HEC A 500 26.874 -8.088 -8.730 1.00 13.53 H new HETATM 0 HBC3 HEC A 500 20.641 -9.271 -15.092 1.00 35.45 H new HETATM 0 HBC2 HEC A 500 22.333 -9.261 -14.542 1.00 35.45 H new HETATM 0 HBC1 HEC A 500 21.617 -10.756 -15.189 1.00 35.45 H new HETATM 0 HBB3 HEC A 500 15.054 -3.442 -8.772 1.00 1.25 H new HETATM 0 HBB2 HEC A 500 16.262 -2.651 -9.811 1.00 1.25 H new HETATM 0 HBB1 HEC A 500 14.709 -3.182 -10.499 1.00 1.25 H new HETATM 0 HBA2 HEC A 500 23.752 -7.391 -1.723 1.00 50.33 H new HETATM 0 HBA1 HEC A 500 22.039 -7.177 -2.022 1.00 50.33 H new HETATM 0 HAD2 HEC A 500 25.859 -8.784 -5.979 1.00 14.14 H new HETATM 0 HAD1 HEC A 500 26.361 -10.095 -7.028 1.00 14.14 H new HETATM 0 HAA2 HEC A 500 24.283 -6.431 -3.951 1.00 52.15 H new HETATM 0 HAA1 HEC A 500 23.385 -5.302 -2.956 1.00 52.15 H new HETATM 0 HHD HEC A 500 22.952 -10.145 -11.214 1.00 22.15 H new HETATM 0 HHC HEC A 500 18.052 -6.001 -11.684 1.00 30.32 H new HETATM 0 HHB HEC A 500 18.439 -4.987 -5.307 1.00 51.40 H new HETATM 0 HHA HEC A 500 24.401 -7.367 -5.633 1.00 70.41 H new HETATM 0 H2A HEC A 500 22.469 -10.307 -2.492 1.00 64.43 H new