USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 832 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 TYR OH : rot -144:sc= 1.31 USER MOD Set 1.2: A 80 MET CE :methyl -166:sc= -1.52 (180deg=-1.72) USER MOD Set 2.1: A 19 THR OG1 : rot 48:sc= 0.0358 USER MOD Set 2.2: A 31 ASN : amide:sc= -3.53 K(o=-3.5,f=-12!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -166:sc=-0.00946 (180deg=-0.201) USER MOD Single : A 7 LYS NZ :NH3+ 130:sc= -0.171 (180deg=-1.19!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -117:sc= -0.14 (180deg=-0.678) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 123:sc= 0.54 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0105 X(o=-0.01,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= -5.6! C(o=-5.6!,f=-10!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -3.11 X(o=-3.1,f=-3.3!) USER MOD Single : A 27 LYS NZ :NH3+ -123:sc= -0.0847 (180deg=-2.39!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00905 USER MOD Single : A 33 HIS : no HD1:sc= -8.02! C(o=-8!,f=-8.1!) USER MOD Single : A 39 LYS NZ :NH3+ -160:sc= -7.73! (180deg=-8.06!) USER MOD Single : A 40 THR OG1 : rot 123:sc= 0.557 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.639 F(o=-1.2,f=-0.64) USER MOD Single : A 46 TYR OH : rot 15:sc= -0.392 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.727 USER MOD Single : A 52 ASN : amide:sc= -8.44! C(o=-8.4!,f=-16!) USER MOD Single : A 53 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0125) USER MOD Single : A 54 ASN : amide:sc= -2.3! C(o=-2.3!,f=-3.7!) USER MOD Single : A 55 LYS NZ :NH3+ -168:sc= 1.54 (180deg=1.12) USER MOD Single : A 63 THR OG1 : rot 78:sc= -2.72 USER MOD Single : A 65 MET CE :methyl 168:sc= -0.22 (180deg=-0.253) USER MOD Single : A 70 ASN : amide:sc= -4.37! C(o=-4.4!,f=-5.4!) USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.065) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00952) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -108:sc= -0.655 (180deg=-2.18!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 5:sc= -0.606! USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.919 0.703 0.063 1.00 73.12 N ATOM 2 CA GLY A 1 1.371 0.604 -1.314 1.00 23.12 C ATOM 3 C GLY A 1 1.762 -0.834 -1.660 1.00 15.10 C ATOM 4 O GLY A 1 2.931 -1.203 -1.566 1.00 23.01 O ATOM 0 H1 GLY A 1 0.660 1.688 0.273 1.00 73.12 H new ATOM 0 H2 GLY A 1 0.091 0.090 0.201 1.00 73.12 H new ATOM 0 H3 GLY A 1 1.683 0.402 0.702 1.00 73.12 H new ATOM 0 HA2 GLY A 1 0.581 0.941 -1.985 1.00 23.12 H new ATOM 0 HA3 GLY A 1 2.224 1.264 -1.469 1.00 23.12 H new ATOM 8 N ASP A 2 0.760 -1.608 -2.054 1.00 31.34 N ATOM 9 CA ASP A 2 0.985 -2.997 -2.415 1.00 62.51 C ATOM 10 C ASP A 2 1.568 -3.064 -3.828 1.00 14.32 C ATOM 11 O ASP A 2 1.251 -2.231 -4.674 1.00 25.10 O ATOM 12 CB ASP A 2 -0.325 -3.788 -2.406 1.00 74.02 C ATOM 13 CG ASP A 2 -0.169 -5.295 -2.205 1.00 73.22 C ATOM 14 OD1 ASP A 2 -0.032 -6.058 -3.174 1.00 54.32 O ATOM 15 OD2 ASP A 2 -0.194 -5.688 -0.977 1.00 63.02 O1- ATOM 0 H ASP A 2 -0.209 -1.299 -2.131 1.00 31.34 H new ATOM 0 HA ASP A 2 1.671 -3.428 -1.686 1.00 62.51 H new ATOM 0 HB2 ASP A 2 -0.963 -3.395 -1.615 1.00 74.02 H new ATOM 0 HB3 ASP A 2 -0.843 -3.614 -3.349 1.00 74.02 H new ATOM 21 N VAL A 3 2.410 -4.065 -4.038 1.00 32.11 N ATOM 22 CA VAL A 3 3.041 -4.253 -5.334 1.00 21.23 C ATOM 23 C VAL A 3 2.365 -5.418 -6.061 1.00 32.03 C ATOM 24 O VAL A 3 2.423 -5.506 -7.287 1.00 72.34 O ATOM 25 CB VAL A 3 4.547 -4.450 -5.160 1.00 43.02 C ATOM 26 CG1 VAL A 3 4.846 -5.368 -3.971 1.00 11.15 C ATOM 27 CG2 VAL A 3 5.183 -4.990 -6.442 1.00 25.11 C ATOM 0 H VAL A 3 2.670 -4.755 -3.333 1.00 32.11 H new ATOM 0 HA VAL A 3 2.913 -3.365 -5.953 1.00 21.23 H new ATOM 0 HB VAL A 3 4.990 -3.476 -4.952 1.00 43.02 H new ATOM 0 HG11 VAL A 3 5.924 -5.492 -3.869 1.00 11.15 H new ATOM 0 HG12 VAL A 3 4.444 -4.926 -3.060 1.00 11.15 H new ATOM 0 HG13 VAL A 3 4.383 -6.341 -4.137 1.00 11.15 H new ATOM 0 HG21 VAL A 3 6.254 -5.120 -6.290 1.00 25.11 H new ATOM 0 HG22 VAL A 3 4.733 -5.950 -6.695 1.00 25.11 H new ATOM 0 HG23 VAL A 3 5.016 -4.285 -7.256 1.00 25.11 H new ATOM 37 N GLU A 4 1.742 -6.283 -5.275 1.00 73.22 N ATOM 38 CA GLU A 4 1.056 -7.438 -5.829 1.00 63.21 C ATOM 39 C GLU A 4 -0.268 -7.014 -6.467 1.00 2.11 C ATOM 40 O GLU A 4 -0.597 -7.450 -7.569 1.00 24.52 O ATOM 41 CB GLU A 4 0.831 -8.507 -4.759 1.00 11.11 C ATOM 42 CG GLU A 4 0.605 -9.880 -5.394 1.00 4.20 C ATOM 43 CD GLU A 4 0.937 -11.003 -4.408 1.00 44.00 C ATOM 44 OE1 GLU A 4 1.773 -11.867 -4.711 1.00 12.45 O ATOM 45 OE2 GLU A 4 0.293 -10.955 -3.291 1.00 23.24 O1- ATOM 0 H GLU A 4 1.698 -6.207 -4.259 1.00 73.22 H new ATOM 0 HA GLU A 4 1.687 -7.873 -6.604 1.00 63.21 H new ATOM 0 HB2 GLU A 4 1.693 -8.548 -4.094 1.00 11.11 H new ATOM 0 HB3 GLU A 4 -0.031 -8.239 -4.148 1.00 11.11 H new ATOM 0 HG2 GLU A 4 -0.433 -9.969 -5.716 1.00 4.20 H new ATOM 0 HG3 GLU A 4 1.225 -9.979 -6.285 1.00 4.20 H new ATOM 53 N LYS A 5 -0.991 -6.169 -5.747 1.00 75.34 N ATOM 54 CA LYS A 5 -2.272 -5.682 -6.229 1.00 44.05 C ATOM 55 C LYS A 5 -2.047 -4.791 -7.452 1.00 71.23 C ATOM 56 O LYS A 5 -2.481 -5.121 -8.553 1.00 12.12 O ATOM 57 CB LYS A 5 -3.044 -4.994 -5.100 1.00 52.33 C ATOM 58 CG LYS A 5 -3.846 -6.011 -4.286 1.00 25.44 C ATOM 59 CD LYS A 5 -2.955 -6.719 -3.263 1.00 53.34 C ATOM 60 CE LYS A 5 -3.689 -7.901 -2.624 1.00 54.44 C ATOM 61 NZ LYS A 5 -4.954 -7.452 -2.003 1.00 55.34 N1+ ATOM 0 H LYS A 5 -0.714 -5.809 -4.834 1.00 75.34 H new ATOM 0 HA LYS A 5 -2.898 -6.514 -6.551 1.00 44.05 H new ATOM 0 HB2 LYS A 5 -2.348 -4.468 -4.447 1.00 52.33 H new ATOM 0 HB3 LYS A 5 -3.717 -4.245 -5.518 1.00 52.33 H new ATOM 0 HG2 LYS A 5 -4.665 -5.507 -3.773 1.00 25.44 H new ATOM 0 HG3 LYS A 5 -4.293 -6.746 -4.955 1.00 25.44 H new ATOM 0 HD2 LYS A 5 -2.045 -7.071 -3.749 1.00 53.34 H new ATOM 0 HD3 LYS A 5 -2.651 -6.014 -2.490 1.00 53.34 H new ATOM 0 HE2 LYS A 5 -3.897 -8.659 -3.379 1.00 54.44 H new ATOM 0 HE3 LYS A 5 -3.053 -8.367 -1.871 1.00 54.44 H new ATOM 0 HZ1 LYS A 5 -5.319 -8.200 -1.379 1.00 55.34 H new ATOM 0 HZ2 LYS A 5 -4.781 -6.590 -1.447 1.00 55.34 H new ATOM 0 HZ3 LYS A 5 -5.653 -7.250 -2.746 1.00 55.34 H new ATOM 74 N GLY A 6 -1.368 -3.678 -7.216 1.00 50.24 N ATOM 75 CA GLY A 6 -1.079 -2.736 -8.284 1.00 73.13 C ATOM 76 C GLY A 6 -0.614 -3.465 -9.546 1.00 54.42 C ATOM 77 O GLY A 6 -0.787 -2.963 -10.656 1.00 0.33 O ATOM 0 H GLY A 6 -1.009 -3.407 -6.300 1.00 50.24 H new ATOM 0 HA2 GLY A 6 -1.970 -2.148 -8.506 1.00 73.13 H new ATOM 0 HA3 GLY A 6 -0.309 -2.037 -7.959 1.00 73.13 H new ATOM 81 N LYS A 7 -0.035 -4.637 -9.335 1.00 72.11 N ATOM 82 CA LYS A 7 0.457 -5.440 -10.441 1.00 33.13 C ATOM 83 C LYS A 7 -0.731 -5.975 -11.244 1.00 72.23 C ATOM 84 O LYS A 7 -0.787 -5.808 -12.461 1.00 11.22 O ATOM 85 CB LYS A 7 1.398 -6.533 -9.933 1.00 21.32 C ATOM 86 CG LYS A 7 1.725 -7.535 -11.043 1.00 61.52 C ATOM 87 CD LYS A 7 3.049 -8.248 -10.766 1.00 32.11 C ATOM 88 CE LYS A 7 2.831 -9.494 -9.905 1.00 14.32 C ATOM 89 NZ LYS A 7 1.912 -10.438 -10.581 1.00 44.20 N1+ ATOM 0 H LYS A 7 0.105 -5.051 -8.413 1.00 72.11 H new ATOM 0 HA LYS A 7 1.053 -4.830 -11.120 1.00 33.13 H new ATOM 0 HB2 LYS A 7 2.319 -6.082 -9.563 1.00 21.32 H new ATOM 0 HB3 LYS A 7 0.937 -7.053 -9.093 1.00 21.32 H new ATOM 0 HG2 LYS A 7 0.923 -8.269 -11.123 1.00 61.52 H new ATOM 0 HG3 LYS A 7 1.780 -7.017 -12.000 1.00 61.52 H new ATOM 0 HD2 LYS A 7 3.518 -8.530 -11.708 1.00 32.11 H new ATOM 0 HD3 LYS A 7 3.734 -7.567 -10.260 1.00 32.11 H new ATOM 0 HE2 LYS A 7 3.786 -9.982 -9.713 1.00 14.32 H new ATOM 0 HE3 LYS A 7 2.420 -9.207 -8.937 1.00 14.32 H new ATOM 0 HZ1 LYS A 7 2.333 -11.389 -10.586 1.00 44.20 H new ATOM 0 HZ2 LYS A 7 1.005 -10.463 -10.073 1.00 44.20 H new ATOM 0 HZ3 LYS A 7 1.752 -10.126 -11.560 1.00 44.20 H new ATOM 102 N LYS A 8 -1.651 -6.606 -10.529 1.00 14.31 N ATOM 103 CA LYS A 8 -2.834 -7.167 -11.160 1.00 71.23 C ATOM 104 C LYS A 8 -3.605 -6.052 -11.869 1.00 33.24 C ATOM 105 O LYS A 8 -4.148 -6.260 -12.953 1.00 33.30 O ATOM 106 CB LYS A 8 -3.670 -7.940 -10.139 1.00 4.10 C ATOM 107 CG LYS A 8 -3.150 -9.368 -9.972 1.00 33.13 C ATOM 108 CD LYS A 8 -4.115 -10.210 -9.135 1.00 22.11 C ATOM 109 CE LYS A 8 -4.036 -9.825 -7.656 1.00 14.34 C ATOM 110 NZ LYS A 8 -4.524 -10.934 -6.805 1.00 11.43 N1+ ATOM 0 H LYS A 8 -1.601 -6.741 -9.519 1.00 14.31 H new ATOM 0 HA LYS A 8 -2.552 -7.894 -11.921 1.00 71.23 H new ATOM 0 HB2 LYS A 8 -3.644 -7.425 -9.178 1.00 4.10 H new ATOM 0 HB3 LYS A 8 -4.711 -7.964 -10.460 1.00 4.10 H new ATOM 0 HG2 LYS A 8 -3.017 -9.827 -10.952 1.00 33.13 H new ATOM 0 HG3 LYS A 8 -2.171 -9.348 -9.494 1.00 33.13 H new ATOM 0 HD2 LYS A 8 -5.134 -10.070 -9.497 1.00 22.11 H new ATOM 0 HD3 LYS A 8 -3.877 -11.267 -9.253 1.00 22.11 H new ATOM 0 HE2 LYS A 8 -3.007 -9.582 -7.392 1.00 14.34 H new ATOM 0 HE3 LYS A 8 -4.632 -8.930 -7.475 1.00 14.34 H new ATOM 0 HZ1 LYS A 8 -4.464 -10.656 -5.805 1.00 11.43 H new ATOM 0 HZ2 LYS A 8 -5.513 -11.147 -7.046 1.00 11.43 H new ATOM 0 HZ3 LYS A 8 -3.939 -11.778 -6.966 1.00 11.43 H new ATOM 123 N ILE A 9 -3.629 -4.893 -11.228 1.00 15.44 N ATOM 124 CA ILE A 9 -4.325 -3.744 -11.784 1.00 60.11 C ATOM 125 C ILE A 9 -3.640 -3.318 -13.084 1.00 15.22 C ATOM 126 O ILE A 9 -4.155 -3.567 -14.172 1.00 74.43 O ATOM 127 CB ILE A 9 -4.425 -2.624 -10.746 1.00 1.54 C ATOM 128 CG1 ILE A 9 -5.007 -3.147 -9.430 1.00 64.24 C ATOM 129 CG2 ILE A 9 -5.222 -1.438 -11.295 1.00 30.43 C ATOM 130 CD1 ILE A 9 -4.467 -2.353 -8.240 1.00 25.42 C ATOM 0 H ILE A 9 -3.178 -4.724 -10.329 1.00 15.44 H new ATOM 0 HA ILE A 9 -5.353 -4.007 -12.036 1.00 60.11 H new ATOM 0 HB ILE A 9 -3.419 -2.264 -10.532 1.00 1.54 H new ATOM 0 HG12 ILE A 9 -6.094 -3.077 -9.456 1.00 64.24 H new ATOM 0 HG13 ILE A 9 -4.758 -4.202 -9.312 1.00 64.24 H new ATOM 0 HG21 ILE A 9 -5.278 -0.656 -10.538 1.00 30.43 H new ATOM 0 HG22 ILE A 9 -4.727 -1.047 -12.184 1.00 30.43 H new ATOM 0 HG23 ILE A 9 -6.229 -1.765 -11.554 1.00 30.43 H new ATOM 0 HD11 ILE A 9 -4.896 -2.744 -7.317 1.00 25.42 H new ATOM 0 HD12 ILE A 9 -3.382 -2.445 -8.204 1.00 25.42 H new ATOM 0 HD13 ILE A 9 -4.739 -1.303 -8.350 1.00 25.42 H new ATOM 142 N PHE A 10 -2.487 -2.683 -12.927 1.00 13.32 N ATOM 143 CA PHE A 10 -1.726 -2.220 -14.076 1.00 72.43 C ATOM 144 C PHE A 10 -1.758 -3.250 -15.206 1.00 75.11 C ATOM 145 O PHE A 10 -1.986 -2.900 -16.363 1.00 2.34 O ATOM 146 CB PHE A 10 -0.281 -2.038 -13.609 1.00 70.22 C ATOM 147 CG PHE A 10 0.453 -0.884 -14.295 1.00 44.23 C ATOM 148 CD1 PHE A 10 0.405 0.366 -13.762 1.00 42.21 C ATOM 149 CD2 PHE A 10 1.156 -1.109 -15.438 1.00 11.20 C ATOM 150 CE1 PHE A 10 1.087 1.437 -14.399 1.00 53.34 C ATOM 151 CE2 PHE A 10 1.837 -0.038 -16.075 1.00 43.23 C ATOM 152 CZ PHE A 10 1.788 1.212 -15.542 1.00 42.41 C ATOM 0 H PHE A 10 -2.062 -2.478 -12.023 1.00 13.32 H new ATOM 0 HA PHE A 10 -2.152 -1.291 -14.456 1.00 72.43 H new ATOM 0 HB2 PHE A 10 -0.276 -1.869 -12.532 1.00 70.22 H new ATOM 0 HB3 PHE A 10 0.268 -2.962 -13.789 1.00 70.22 H new ATOM 0 HD1 PHE A 10 -0.152 0.545 -12.854 1.00 42.21 H new ATOM 0 HD2 PHE A 10 1.196 -2.102 -15.861 1.00 11.20 H new ATOM 0 HE1 PHE A 10 1.049 2.430 -13.975 1.00 53.34 H new ATOM 0 HE2 PHE A 10 2.394 -0.216 -16.983 1.00 43.23 H new ATOM 0 HZ PHE A 10 2.306 2.026 -16.027 1.00 42.41 H new ATOM 162 N ILE A 11 -1.527 -4.499 -14.832 1.00 62.12 N ATOM 163 CA ILE A 11 -1.527 -5.583 -15.801 1.00 45.21 C ATOM 164 C ILE A 11 -2.715 -5.414 -16.748 1.00 24.11 C ATOM 165 O ILE A 11 -2.556 -5.476 -17.967 1.00 4.32 O ATOM 166 CB ILE A 11 -1.494 -6.937 -15.090 1.00 64.23 C ATOM 167 CG1 ILE A 11 -0.075 -7.283 -14.634 1.00 24.22 C ATOM 168 CG2 ILE A 11 -2.097 -8.034 -15.971 1.00 33.21 C ATOM 169 CD1 ILE A 11 -0.093 -8.400 -13.588 1.00 43.25 C ATOM 0 H ILE A 11 -1.338 -4.786 -13.871 1.00 62.12 H new ATOM 0 HA ILE A 11 -0.625 -5.548 -16.412 1.00 45.21 H new ATOM 0 HB ILE A 11 -2.112 -6.867 -14.194 1.00 64.23 H new ATOM 0 HG12 ILE A 11 0.521 -7.593 -15.492 1.00 24.22 H new ATOM 0 HG13 ILE A 11 0.403 -6.397 -14.217 1.00 24.22 H new ATOM 0 HG21 ILE A 11 -2.061 -8.986 -15.442 1.00 33.21 H new ATOM 0 HG22 ILE A 11 -3.133 -7.786 -16.203 1.00 33.21 H new ATOM 0 HG23 ILE A 11 -1.527 -8.112 -16.897 1.00 33.21 H new ATOM 0 HD11 ILE A 11 0.928 -8.627 -13.281 1.00 43.25 H new ATOM 0 HD12 ILE A 11 -0.670 -8.078 -12.721 1.00 43.25 H new ATOM 0 HD13 ILE A 11 -0.550 -9.292 -14.016 1.00 43.25 H new ATOM 181 N MET A 12 -3.880 -5.204 -16.154 1.00 20.04 N ATOM 182 CA MET A 12 -5.095 -5.026 -16.930 1.00 73.11 C ATOM 183 C MET A 12 -5.761 -3.687 -16.606 1.00 2.53 C ATOM 184 O MET A 12 -6.987 -3.592 -16.567 1.00 61.15 O ATOM 185 CB MET A 12 -6.068 -6.166 -16.626 1.00 10.44 C ATOM 186 CG MET A 12 -5.671 -7.440 -17.374 1.00 20.33 C ATOM 187 SD MET A 12 -6.596 -8.831 -16.745 1.00 23.32 S ATOM 188 CE MET A 12 -5.785 -9.055 -15.170 1.00 74.43 C ATOM 0 H MET A 12 -4.008 -5.153 -15.143 1.00 20.04 H new ATOM 0 HA MET A 12 -4.832 -5.034 -17.988 1.00 73.11 H new ATOM 0 HB2 MET A 12 -6.083 -6.360 -15.553 1.00 10.44 H new ATOM 0 HB3 MET A 12 -7.078 -5.872 -16.911 1.00 10.44 H new ATOM 0 HG2 MET A 12 -5.860 -7.319 -18.441 1.00 20.33 H new ATOM 0 HG3 MET A 12 -4.602 -7.621 -17.259 1.00 20.33 H new ATOM 0 HE1 MET A 12 -5.305 -10.033 -15.144 1.00 74.43 H new ATOM 0 HE2 MET A 12 -5.033 -8.278 -15.034 1.00 74.43 H new ATOM 0 HE3 MET A 12 -6.522 -8.991 -14.369 1.00 74.43 H new ATOM 198 N LYS A 13 -4.925 -2.684 -16.383 1.00 3.23 N ATOM 199 CA LYS A 13 -5.416 -1.355 -16.063 1.00 42.12 C ATOM 200 C LYS A 13 -4.677 -0.324 -16.918 1.00 34.24 C ATOM 201 O LYS A 13 -5.304 0.504 -17.579 1.00 23.10 O ATOM 202 CB LYS A 13 -5.316 -1.093 -14.559 1.00 13.54 C ATOM 203 CG LYS A 13 -6.050 0.193 -14.177 1.00 61.54 C ATOM 204 CD LYS A 13 -7.513 -0.093 -13.832 1.00 54.44 C ATOM 205 CE LYS A 13 -8.388 -0.058 -15.086 1.00 54.34 C ATOM 206 NZ LYS A 13 -9.794 0.240 -14.728 1.00 20.13 N1+ ATOM 0 H LYS A 13 -3.909 -2.766 -16.418 1.00 3.23 H new ATOM 0 HA LYS A 13 -6.475 -1.272 -16.307 1.00 42.12 H new ATOM 0 HB2 LYS A 13 -5.740 -1.934 -14.011 1.00 13.54 H new ATOM 0 HB3 LYS A 13 -4.268 -1.018 -14.268 1.00 13.54 H new ATOM 0 HG2 LYS A 13 -5.556 0.659 -13.324 1.00 61.54 H new ATOM 0 HG3 LYS A 13 -5.999 0.904 -15.002 1.00 61.54 H new ATOM 0 HD2 LYS A 13 -7.594 -1.070 -13.355 1.00 54.44 H new ATOM 0 HD3 LYS A 13 -7.872 0.644 -13.113 1.00 54.44 H new ATOM 0 HE2 LYS A 13 -8.014 0.698 -15.777 1.00 54.34 H new ATOM 0 HE3 LYS A 13 -8.333 -1.017 -15.602 1.00 54.34 H new ATOM 0 HZ1 LYS A 13 -10.375 0.260 -15.590 1.00 20.13 H new ATOM 0 HZ2 LYS A 13 -10.152 -0.496 -14.086 1.00 20.13 H new ATOM 0 HZ3 LYS A 13 -9.843 1.165 -14.256 1.00 20.13 H new ATOM 219 N CYS A 14 -3.356 -0.406 -16.878 1.00 0.42 N ATOM 220 CA CYS A 14 -2.525 0.510 -17.640 1.00 73.31 C ATOM 221 C CYS A 14 -1.708 -0.306 -18.644 1.00 61.22 C ATOM 222 O CYS A 14 -1.693 0.003 -19.835 1.00 3.21 O ATOM 223 CB CYS A 14 -1.632 1.356 -16.730 1.00 23.12 C ATOM 224 SG CYS A 14 -2.336 1.709 -15.078 1.00 24.50 S ATOM 0 H CYS A 14 -2.840 -1.094 -16.329 1.00 0.42 H new ATOM 0 HA CYS A 14 -3.157 1.218 -18.177 1.00 73.31 H new ATOM 0 HB2 CYS A 14 -0.679 0.843 -16.601 1.00 23.12 H new ATOM 0 HB3 CYS A 14 -1.421 2.302 -17.229 1.00 23.12 H new ATOM 0 HG CYS A 14 -1.520 1.285 -14.159 1.00 24.50 H new ATOM 229 N SER A 15 -1.047 -1.331 -18.127 1.00 53.01 N ATOM 230 CA SER A 15 -0.229 -2.193 -18.963 1.00 44.23 C ATOM 231 C SER A 15 -0.936 -2.455 -20.294 1.00 0.15 C ATOM 232 O SER A 15 -0.286 -2.660 -21.317 1.00 13.43 O ATOM 233 CB SER A 15 0.079 -3.515 -18.257 1.00 10.33 C ATOM 234 OG SER A 15 1.140 -4.224 -18.890 1.00 53.25 O ATOM 0 H SER A 15 -1.061 -1.584 -17.139 1.00 53.01 H new ATOM 0 HA SER A 15 0.717 -1.686 -19.154 1.00 44.23 H new ATOM 0 HB2 SER A 15 0.344 -3.318 -17.218 1.00 10.33 H new ATOM 0 HB3 SER A 15 -0.816 -4.137 -18.245 1.00 10.33 H new ATOM 0 HG SER A 15 1.307 -5.061 -18.409 1.00 53.25 H new ATOM 240 N GLN A 16 -2.260 -2.440 -20.238 1.00 52.31 N ATOM 241 CA GLN A 16 -3.063 -2.673 -21.425 1.00 24.53 C ATOM 242 C GLN A 16 -2.432 -1.984 -22.637 1.00 24.04 C ATOM 243 O GLN A 16 -2.203 -2.617 -23.666 1.00 52.22 O ATOM 244 CB GLN A 16 -4.503 -2.201 -21.215 1.00 34.30 C ATOM 245 CG GLN A 16 -5.181 -2.990 -20.092 1.00 64.14 C ATOM 246 CD GLN A 16 -6.692 -3.073 -20.315 1.00 25.22 C ATOM 247 OE1 GLN A 16 -7.480 -2.420 -19.652 1.00 33.12 O ATOM 248 NE2 GLN A 16 -7.050 -3.912 -21.284 1.00 5.30 N ATOM 0 H GLN A 16 -2.797 -2.270 -19.387 1.00 52.31 H new ATOM 0 HA GLN A 16 -3.091 -3.746 -21.615 1.00 24.53 H new ATOM 0 HB2 GLN A 16 -4.509 -1.138 -20.973 1.00 34.30 H new ATOM 0 HB3 GLN A 16 -5.067 -2.320 -22.140 1.00 34.30 H new ATOM 0 HG2 GLN A 16 -4.761 -3.995 -20.044 1.00 64.14 H new ATOM 0 HG3 GLN A 16 -4.977 -2.513 -19.133 1.00 64.14 H new ATOM 0 HE21 GLN A 16 -6.338 -4.428 -21.801 1.00 5.30 H new ATOM 0 HE22 GLN A 16 -8.036 -4.039 -21.510 1.00 5.30 H new ATOM 257 N CYS A 17 -2.168 -0.696 -22.474 1.00 3.32 N ATOM 258 CA CYS A 17 -1.568 0.086 -23.541 1.00 24.21 C ATOM 259 C CYS A 17 -0.111 0.370 -23.168 1.00 61.52 C ATOM 260 O CYS A 17 0.793 0.149 -23.971 1.00 14.11 O ATOM 261 CB CYS A 17 -2.350 1.373 -23.809 1.00 30.04 C ATOM 262 SG CYS A 17 -4.112 1.316 -23.319 1.00 4.14 S ATOM 0 H CYS A 17 -2.359 -0.174 -21.619 1.00 3.32 H new ATOM 0 HA CYS A 17 -1.600 -0.480 -24.472 1.00 24.21 H new ATOM 0 HB2 CYS A 17 -1.866 2.193 -23.278 1.00 30.04 H new ATOM 0 HB3 CYS A 17 -2.290 1.603 -24.873 1.00 30.04 H new ATOM 0 HG CYS A 17 -4.675 2.457 -23.589 1.00 4.14 H new ATOM 267 N HIS A 18 0.070 0.856 -21.949 1.00 62.50 N ATOM 268 CA HIS A 18 1.401 1.173 -21.459 1.00 4.04 C ATOM 269 C HIS A 18 2.257 -0.095 -21.443 1.00 22.22 C ATOM 270 O HIS A 18 1.795 -1.165 -21.836 1.00 62.34 O ATOM 271 CB HIS A 18 1.329 1.856 -20.092 1.00 40.31 C ATOM 272 CG HIS A 18 0.799 3.269 -20.139 1.00 54.33 C ATOM 273 ND1 HIS A 18 1.510 4.317 -20.699 1.00 50.21 N ATOM 274 CD2 HIS A 18 -0.375 3.797 -19.690 1.00 25.02 C ATOM 275 CE1 HIS A 18 0.785 5.420 -20.587 1.00 64.43 C ATOM 276 NE2 HIS A 18 -0.383 5.096 -19.961 1.00 53.31 N ATOM 0 H HIS A 18 -0.683 1.038 -21.286 1.00 62.50 H new ATOM 0 HA HIS A 18 1.879 1.885 -22.131 1.00 4.04 H new ATOM 0 HB2 HIS A 18 0.695 1.263 -19.434 1.00 40.31 H new ATOM 0 HB3 HIS A 18 2.325 1.867 -19.650 1.00 40.31 H new ATOM 0 HD1 HIS A 18 2.434 4.251 -21.125 1.00 50.21 H new ATOM 0 HD2 HIS A 18 -1.165 3.250 -19.197 1.00 25.02 H new ATOM 0 HE1 HIS A 18 1.069 6.404 -20.931 1.00 64.43 H new ATOM 284 N THR A 19 3.489 0.068 -20.986 1.00 13.43 N ATOM 285 CA THR A 19 4.415 -1.050 -20.914 1.00 60.21 C ATOM 286 C THR A 19 5.544 -0.746 -19.928 1.00 32.10 C ATOM 287 O THR A 19 6.391 0.106 -20.192 1.00 32.41 O ATOM 288 CB THR A 19 4.910 -1.346 -22.332 1.00 74.25 C ATOM 289 OG1 THR A 19 5.077 -0.058 -22.917 1.00 32.15 O ATOM 290 CG2 THR A 19 3.840 -2.013 -23.199 1.00 61.22 C ATOM 0 H THR A 19 3.868 0.958 -20.662 1.00 13.43 H new ATOM 0 HA THR A 19 3.925 -1.945 -20.531 1.00 60.21 H new ATOM 0 HB THR A 19 5.789 -1.988 -22.283 1.00 74.25 H new ATOM 0 HG1 THR A 19 5.574 0.519 -22.301 1.00 32.15 H new ATOM 0 HG21 THR A 19 4.243 -2.201 -24.194 1.00 61.22 H new ATOM 0 HG22 THR A 19 3.540 -2.957 -22.745 1.00 61.22 H new ATOM 0 HG23 THR A 19 2.973 -1.356 -23.277 1.00 61.22 H new ATOM 298 N VAL A 20 5.519 -1.459 -18.811 1.00 73.30 N ATOM 299 CA VAL A 20 6.530 -1.276 -17.784 1.00 62.41 C ATOM 300 C VAL A 20 7.753 -2.131 -18.119 1.00 42.31 C ATOM 301 O VAL A 20 8.229 -2.894 -17.281 1.00 23.32 O ATOM 302 CB VAL A 20 5.940 -1.590 -16.407 1.00 73.02 C ATOM 303 CG1 VAL A 20 4.562 -0.944 -16.240 1.00 11.15 C ATOM 304 CG2 VAL A 20 5.869 -3.100 -16.173 1.00 54.03 C ATOM 0 H VAL A 20 4.814 -2.164 -18.595 1.00 73.30 H new ATOM 0 HA VAL A 20 6.859 -0.237 -17.753 1.00 62.41 H new ATOM 0 HB VAL A 20 6.603 -1.165 -15.654 1.00 73.02 H new ATOM 0 HG11 VAL A 20 4.165 -1.183 -15.253 1.00 11.15 H new ATOM 0 HG12 VAL A 20 4.652 0.137 -16.343 1.00 11.15 H new ATOM 0 HG13 VAL A 20 3.886 -1.326 -17.005 1.00 11.15 H new ATOM 0 HG21 VAL A 20 5.446 -3.296 -15.188 1.00 54.03 H new ATOM 0 HG22 VAL A 20 5.239 -3.557 -16.936 1.00 54.03 H new ATOM 0 HG23 VAL A 20 6.871 -3.524 -16.229 1.00 54.03 H new ATOM 314 N GLU A 21 8.226 -1.975 -19.347 1.00 2.20 N ATOM 315 CA GLU A 21 9.384 -2.723 -19.804 1.00 22.52 C ATOM 316 C GLU A 21 10.296 -1.828 -20.646 1.00 34.35 C ATOM 317 O GLU A 21 9.886 -1.327 -21.692 1.00 52.54 O ATOM 318 CB GLU A 21 8.960 -3.966 -20.588 1.00 61.35 C ATOM 319 CG GLU A 21 8.533 -3.598 -22.010 1.00 1.24 C ATOM 320 CD GLU A 21 9.717 -3.672 -22.976 1.00 73.45 C ATOM 321 OE1 GLU A 21 9.917 -2.753 -23.783 1.00 31.11 O ATOM 322 OE2 GLU A 21 10.445 -4.731 -22.865 1.00 44.15 O1- ATOM 0 H GLU A 21 7.828 -1.341 -20.040 1.00 2.20 H new ATOM 0 HA GLU A 21 9.943 -3.058 -18.930 1.00 22.52 H new ATOM 0 HB2 GLU A 21 9.786 -4.676 -20.625 1.00 61.35 H new ATOM 0 HB3 GLU A 21 8.136 -4.461 -20.074 1.00 61.35 H new ATOM 0 HG2 GLU A 21 7.745 -4.274 -22.343 1.00 1.24 H new ATOM 0 HG3 GLU A 21 8.115 -2.591 -22.019 1.00 1.24 H new ATOM 330 N LYS A 22 11.516 -1.655 -20.158 1.00 34.22 N ATOM 331 CA LYS A 22 12.489 -0.829 -20.853 1.00 44.40 C ATOM 332 C LYS A 22 12.386 -1.084 -22.358 1.00 4.32 C ATOM 333 O LYS A 22 12.059 -2.191 -22.783 1.00 2.32 O ATOM 334 CB LYS A 22 13.891 -1.061 -20.285 1.00 74.13 C ATOM 335 CG LYS A 22 14.793 0.148 -20.541 1.00 50.22 C ATOM 336 CD LYS A 22 15.535 0.005 -21.872 1.00 63.22 C ATOM 337 CE LYS A 22 16.808 -0.826 -21.704 1.00 63.42 C ATOM 338 NZ LYS A 22 17.711 -0.632 -22.861 1.00 43.00 N1+ ATOM 0 H LYS A 22 11.853 -2.072 -19.290 1.00 34.22 H new ATOM 0 HA LYS A 22 12.275 0.228 -20.693 1.00 44.40 H new ATOM 0 HB2 LYS A 22 13.826 -1.251 -19.214 1.00 74.13 H new ATOM 0 HB3 LYS A 22 14.329 -1.949 -20.740 1.00 74.13 H new ATOM 0 HG2 LYS A 22 14.193 1.058 -20.550 1.00 50.22 H new ATOM 0 HG3 LYS A 22 15.512 0.248 -19.728 1.00 50.22 H new ATOM 0 HD2 LYS A 22 14.883 -0.467 -22.607 1.00 63.22 H new ATOM 0 HD3 LYS A 22 15.789 0.992 -22.258 1.00 63.22 H new ATOM 0 HE2 LYS A 22 17.318 -0.538 -20.785 1.00 63.42 H new ATOM 0 HE3 LYS A 22 16.551 -1.881 -21.609 1.00 63.42 H new ATOM 0 HZ1 LYS A 22 18.570 -1.203 -22.730 1.00 43.00 H new ATOM 0 HZ2 LYS A 22 17.227 -0.928 -23.733 1.00 43.00 H new ATOM 0 HZ3 LYS A 22 17.971 0.372 -22.934 1.00 43.00 H new ATOM 351 N GLY A 23 12.670 -0.040 -23.123 1.00 52.14 N ATOM 352 CA GLY A 23 12.613 -0.137 -24.572 1.00 30.32 C ATOM 353 C GLY A 23 11.169 -0.286 -25.055 1.00 2.14 C ATOM 354 O GLY A 23 10.930 -0.617 -26.215 1.00 23.14 O ATOM 0 H GLY A 23 12.940 0.877 -22.767 1.00 52.14 H new ATOM 0 HA2 GLY A 23 13.059 0.752 -25.017 1.00 30.32 H new ATOM 0 HA3 GLY A 23 13.202 -0.991 -24.906 1.00 30.32 H new ATOM 358 N GLY A 24 10.244 -0.034 -24.141 1.00 32.53 N ATOM 359 CA GLY A 24 8.830 -0.135 -24.459 1.00 33.34 C ATOM 360 C GLY A 24 8.537 0.443 -25.846 1.00 72.53 C ATOM 361 O GLY A 24 9.345 1.192 -26.393 1.00 13.20 O ATOM 0 H GLY A 24 10.446 0.240 -23.180 1.00 32.53 H new ATOM 0 HA2 GLY A 24 8.519 -1.179 -24.423 1.00 33.34 H new ATOM 0 HA3 GLY A 24 8.246 0.397 -23.708 1.00 33.34 H new ATOM 365 N LYS A 25 7.381 0.070 -26.374 1.00 11.42 N ATOM 366 CA LYS A 25 6.971 0.542 -27.687 1.00 2.02 C ATOM 367 C LYS A 25 6.124 1.805 -27.529 1.00 31.52 C ATOM 368 O LYS A 25 5.876 2.255 -26.411 1.00 72.44 O ATOM 369 CB LYS A 25 6.272 -0.576 -28.463 1.00 24.30 C ATOM 370 CG LYS A 25 7.236 -1.727 -28.756 1.00 22.43 C ATOM 371 CD LYS A 25 7.985 -1.495 -30.069 1.00 53.42 C ATOM 372 CE LYS A 25 9.305 -0.761 -29.825 1.00 11.53 C ATOM 373 NZ LYS A 25 10.286 -1.093 -30.883 1.00 63.31 N1+ ATOM 0 H LYS A 25 6.715 -0.553 -25.917 1.00 11.42 H new ATOM 0 HA LYS A 25 7.842 0.816 -28.283 1.00 2.02 H new ATOM 0 HB2 LYS A 25 5.423 -0.946 -27.889 1.00 24.30 H new ATOM 0 HB3 LYS A 25 5.876 -0.181 -29.399 1.00 24.30 H new ATOM 0 HG2 LYS A 25 7.950 -1.825 -27.938 1.00 22.43 H new ATOM 0 HG3 LYS A 25 6.683 -2.665 -28.810 1.00 22.43 H new ATOM 0 HD2 LYS A 25 8.181 -2.451 -30.554 1.00 53.42 H new ATOM 0 HD3 LYS A 25 7.362 -0.914 -30.749 1.00 53.42 H new ATOM 0 HE2 LYS A 25 9.132 0.315 -29.806 1.00 11.53 H new ATOM 0 HE3 LYS A 25 9.706 -1.036 -28.850 1.00 11.53 H new ATOM 0 HZ1 LYS A 25 11.176 -0.587 -30.702 1.00 63.31 H new ATOM 0 HZ2 LYS A 25 10.464 -2.118 -30.882 1.00 63.31 H new ATOM 0 HZ3 LYS A 25 9.908 -0.808 -31.809 1.00 63.31 H new ATOM 386 N HIS A 26 5.701 2.342 -28.664 1.00 25.51 N ATOM 387 CA HIS A 26 4.885 3.544 -28.665 1.00 74.44 C ATOM 388 C HIS A 26 3.460 3.197 -29.097 1.00 45.22 C ATOM 389 O HIS A 26 2.834 3.944 -29.848 1.00 2.22 O ATOM 390 CB HIS A 26 5.521 4.630 -29.536 1.00 11.11 C ATOM 391 CG HIS A 26 6.603 5.422 -28.839 1.00 12.42 C ATOM 392 ND1 HIS A 26 6.997 5.167 -27.538 1.00 62.23 N ATOM 393 CD2 HIS A 26 7.368 6.462 -29.277 1.00 45.21 C ATOM 394 CE1 HIS A 26 7.956 6.022 -27.216 1.00 75.04 C ATOM 395 NE2 HIS A 26 8.184 6.824 -28.296 1.00 43.14 N ATOM 0 H HIS A 26 5.908 1.967 -29.589 1.00 25.51 H new ATOM 0 HA HIS A 26 4.831 3.953 -27.656 1.00 74.44 H new ATOM 0 HB2 HIS A 26 5.942 4.166 -30.428 1.00 11.11 H new ATOM 0 HB3 HIS A 26 4.742 5.315 -29.871 1.00 11.11 H new ATOM 0 HD2 HIS A 26 7.318 6.914 -30.256 1.00 45.21 H new ATOM 0 HE1 HIS A 26 8.467 6.075 -26.266 1.00 75.04 H new ATOM 0 HE2 HIS A 26 8.869 7.578 -28.342 1.00 43.14 H new ATOM 403 N LYS A 27 2.986 2.061 -28.605 1.00 44.03 N ATOM 404 CA LYS A 27 1.645 1.606 -28.931 1.00 53.42 C ATOM 405 C LYS A 27 0.636 2.688 -28.546 1.00 34.44 C ATOM 406 O LYS A 27 1.013 3.830 -28.287 1.00 33.44 O ATOM 407 CB LYS A 27 1.370 0.248 -28.282 1.00 74.10 C ATOM 408 CG LYS A 27 1.431 -0.877 -29.316 1.00 42.43 C ATOM 409 CD LYS A 27 2.820 -1.518 -29.348 1.00 54.03 C ATOM 410 CE LYS A 27 3.016 -2.460 -28.158 1.00 14.52 C ATOM 411 NZ LYS A 27 4.182 -3.342 -28.382 1.00 5.14 N1+ ATOM 0 H LYS A 27 3.507 1.443 -27.983 1.00 44.03 H new ATOM 0 HA LYS A 27 1.546 1.447 -30.005 1.00 53.42 H new ATOM 0 HB2 LYS A 27 2.101 0.063 -27.495 1.00 74.10 H new ATOM 0 HB3 LYS A 27 0.388 0.259 -27.809 1.00 74.10 H new ATOM 0 HG2 LYS A 27 0.683 -1.634 -29.080 1.00 42.43 H new ATOM 0 HG3 LYS A 27 1.186 -0.483 -30.302 1.00 42.43 H new ATOM 0 HD2 LYS A 27 2.948 -2.070 -30.279 1.00 54.03 H new ATOM 0 HD3 LYS A 27 3.584 -0.741 -29.331 1.00 54.03 H new ATOM 0 HE2 LYS A 27 3.162 -1.879 -27.247 1.00 14.52 H new ATOM 0 HE3 LYS A 27 2.119 -3.063 -28.012 1.00 14.52 H new ATOM 0 HZ1 LYS A 27 3.882 -4.336 -28.320 1.00 5.14 H new ATOM 0 HZ2 LYS A 27 4.580 -3.158 -29.325 1.00 5.14 H new ATOM 0 HZ3 LYS A 27 4.905 -3.153 -27.658 1.00 5.14 H new ATOM 424 N THR A 28 -0.628 2.292 -28.520 1.00 74.51 N ATOM 425 CA THR A 28 -1.695 3.215 -28.170 1.00 2.42 C ATOM 426 C THR A 28 -1.245 4.148 -27.045 1.00 41.14 C ATOM 427 O THR A 28 -1.699 5.289 -26.961 1.00 32.05 O ATOM 428 CB THR A 28 -2.936 2.391 -27.818 1.00 52.12 C ATOM 429 OG1 THR A 28 -3.221 1.666 -29.011 1.00 43.31 O ATOM 430 CG2 THR A 28 -4.175 3.262 -27.606 1.00 32.01 C ATOM 0 H THR A 28 -0.938 1.344 -28.736 1.00 74.51 H new ATOM 0 HA THR A 28 -1.946 3.866 -29.008 1.00 2.42 H new ATOM 0 HB THR A 28 -2.742 1.810 -26.917 1.00 52.12 H new ATOM 0 HG1 THR A 28 -4.011 1.104 -28.871 1.00 43.31 H new ATOM 0 HG21 THR A 28 -5.027 2.629 -27.359 1.00 32.01 H new ATOM 0 HG22 THR A 28 -3.993 3.961 -26.789 1.00 32.01 H new ATOM 0 HG23 THR A 28 -4.389 3.818 -28.519 1.00 32.01 H new ATOM 438 N GLY A 29 -0.358 3.630 -26.208 1.00 64.54 N ATOM 439 CA GLY A 29 0.157 4.403 -25.091 1.00 55.30 C ATOM 440 C GLY A 29 1.687 4.405 -25.086 1.00 1.42 C ATOM 441 O GLY A 29 2.315 3.492 -25.620 1.00 41.14 O ATOM 0 H GLY A 29 0.017 2.684 -26.281 1.00 64.54 H new ATOM 0 HA2 GLY A 29 -0.212 5.427 -25.152 1.00 55.30 H new ATOM 0 HA3 GLY A 29 -0.213 3.986 -24.154 1.00 55.30 H new ATOM 445 N PRO A 30 2.259 5.468 -24.460 1.00 74.54 N ATOM 446 CA PRO A 30 3.703 5.601 -24.378 1.00 74.11 C ATOM 447 C PRO A 30 4.285 4.636 -23.343 1.00 24.32 C ATOM 448 O PRO A 30 3.545 4.028 -22.572 1.00 24.23 O ATOM 449 CB PRO A 30 3.945 7.062 -24.030 1.00 41.30 C ATOM 450 CG PRO A 30 2.629 7.581 -23.475 1.00 54.01 C ATOM 451 CD PRO A 30 1.547 6.569 -23.816 1.00 12.13 C ATOM 0 HA PRO A 30 4.203 5.339 -25.311 1.00 74.11 H new ATOM 0 HB2 PRO A 30 4.745 7.161 -23.296 1.00 41.30 H new ATOM 0 HB3 PRO A 30 4.248 7.628 -24.911 1.00 41.30 H new ATOM 0 HG2 PRO A 30 2.697 7.717 -22.396 1.00 54.01 H new ATOM 0 HG3 PRO A 30 2.391 8.554 -23.905 1.00 54.01 H new ATOM 0 HD2 PRO A 30 1.023 6.232 -22.921 1.00 12.13 H new ATOM 0 HD3 PRO A 30 0.798 6.999 -24.481 1.00 12.13 H new ATOM 459 N ASN A 31 5.605 4.525 -23.360 1.00 21.33 N ATOM 460 CA ASN A 31 6.295 3.644 -22.433 1.00 33.24 C ATOM 461 C ASN A 31 6.289 4.273 -21.039 1.00 11.33 C ATOM 462 O ASN A 31 6.176 5.491 -20.904 1.00 70.42 O ATOM 463 CB ASN A 31 7.751 3.434 -22.852 1.00 44.34 C ATOM 464 CG ASN A 31 8.557 2.784 -21.727 1.00 45.33 C ATOM 465 OD1 ASN A 31 9.417 3.392 -21.112 1.00 35.40 O ATOM 466 ND2 ASN A 31 8.232 1.516 -21.491 1.00 71.13 N ATOM 0 H ASN A 31 6.216 5.031 -24.002 1.00 21.33 H new ATOM 0 HA ASN A 31 5.779 2.684 -22.433 1.00 33.24 H new ATOM 0 HB2 ASN A 31 7.790 2.806 -23.742 1.00 44.34 H new ATOM 0 HB3 ASN A 31 8.198 4.392 -23.118 1.00 44.34 H new ATOM 0 HD21 ASN A 31 8.713 0.994 -20.758 1.00 71.13 H new ATOM 0 HD22 ASN A 31 7.502 1.065 -22.043 1.00 71.13 H new ATOM 473 N LEU A 32 6.413 3.415 -20.037 1.00 25.52 N ATOM 474 CA LEU A 32 6.424 3.872 -18.658 1.00 3.12 C ATOM 475 C LEU A 32 7.605 3.233 -17.923 1.00 43.31 C ATOM 476 O LEU A 32 7.424 2.598 -16.886 1.00 21.41 O ATOM 477 CB LEU A 32 5.071 3.607 -17.995 1.00 53.22 C ATOM 478 CG LEU A 32 3.859 4.267 -18.656 1.00 2.33 C ATOM 479 CD1 LEU A 32 2.580 3.977 -17.868 1.00 33.31 C ATOM 480 CD2 LEU A 32 4.089 5.768 -18.845 1.00 64.04 C ATOM 0 H LEU A 32 6.507 2.406 -20.153 1.00 25.52 H new ATOM 0 HA LEU A 32 6.568 4.952 -18.615 1.00 3.12 H new ATOM 0 HB2 LEU A 32 4.905 2.530 -17.971 1.00 53.22 H new ATOM 0 HB3 LEU A 32 5.124 3.944 -16.960 1.00 53.22 H new ATOM 0 HG LEU A 32 3.731 3.833 -19.648 1.00 2.33 H new ATOM 0 HD11 LEU A 32 1.733 4.457 -18.359 1.00 33.31 H new ATOM 0 HD12 LEU A 32 2.413 2.901 -17.828 1.00 33.31 H new ATOM 0 HD13 LEU A 32 2.681 4.366 -16.855 1.00 33.31 H new ATOM 0 HD21 LEU A 32 3.213 6.214 -19.317 1.00 64.04 H new ATOM 0 HD22 LEU A 32 4.256 6.236 -17.875 1.00 64.04 H new ATOM 0 HD23 LEU A 32 4.962 5.925 -19.479 1.00 64.04 H new ATOM 492 N HIS A 33 8.786 3.425 -18.490 1.00 23.30 N ATOM 493 CA HIS A 33 9.997 2.876 -17.902 1.00 74.15 C ATOM 494 C HIS A 33 10.898 4.016 -17.424 1.00 20.01 C ATOM 495 O HIS A 33 11.905 4.323 -18.060 1.00 41.10 O ATOM 496 CB HIS A 33 10.699 1.936 -18.883 1.00 31.34 C ATOM 497 CG HIS A 33 11.907 1.237 -18.306 1.00 51.32 C ATOM 498 ND1 HIS A 33 13.198 1.702 -18.486 1.00 11.24 N ATOM 499 CD2 HIS A 33 12.007 0.106 -17.552 1.00 72.42 C ATOM 500 CE1 HIS A 33 14.030 0.879 -17.865 1.00 33.45 C ATOM 501 NE2 HIS A 33 13.290 -0.110 -17.286 1.00 33.01 N ATOM 0 H HIS A 33 8.931 3.953 -19.351 1.00 23.30 H new ATOM 0 HA HIS A 33 9.742 2.272 -17.031 1.00 74.15 H new ATOM 0 HB2 HIS A 33 9.986 1.185 -19.224 1.00 31.34 H new ATOM 0 HB3 HIS A 33 11.006 2.506 -19.760 1.00 31.34 H new ATOM 0 HD2 HIS A 33 11.182 -0.510 -17.226 1.00 72.42 H new ATOM 0 HE1 HIS A 33 15.105 0.974 -17.824 1.00 33.45 H new ATOM 0 HE2 HIS A 33 13.661 -0.887 -16.739 1.00 33.01 H new ATOM 509 N GLY A 34 10.503 4.612 -16.310 1.00 13.14 N ATOM 510 CA GLY A 34 11.263 5.712 -15.739 1.00 20.04 C ATOM 511 C GLY A 34 10.462 7.015 -15.787 1.00 32.42 C ATOM 512 O GLY A 34 11.015 8.096 -15.586 1.00 44.34 O ATOM 0 H GLY A 34 9.666 4.355 -15.786 1.00 13.14 H new ATOM 0 HA2 GLY A 34 11.526 5.480 -14.707 1.00 20.04 H new ATOM 0 HA3 GLY A 34 12.198 5.835 -16.286 1.00 20.04 H new ATOM 516 N LEU A 35 9.172 6.870 -16.054 1.00 32.24 N ATOM 517 CA LEU A 35 8.290 8.021 -16.130 1.00 31.25 C ATOM 518 C LEU A 35 8.600 8.975 -14.974 1.00 52.04 C ATOM 519 O LEU A 35 8.393 10.181 -15.086 1.00 22.11 O ATOM 520 CB LEU A 35 6.828 7.573 -16.181 1.00 41.23 C ATOM 521 CG LEU A 35 5.807 8.548 -15.591 1.00 31.03 C ATOM 522 CD1 LEU A 35 5.555 9.721 -16.539 1.00 5.42 C ATOM 523 CD2 LEU A 35 4.511 7.825 -15.218 1.00 1.05 C ATOM 0 H LEU A 35 8.717 5.972 -16.220 1.00 32.24 H new ATOM 0 HA LEU A 35 8.464 8.573 -17.054 1.00 31.25 H new ATOM 0 HB2 LEU A 35 6.562 7.385 -17.221 1.00 41.23 H new ATOM 0 HB3 LEU A 35 6.741 6.623 -15.653 1.00 41.23 H new ATOM 0 HG LEU A 35 6.223 8.961 -14.672 1.00 31.03 H new ATOM 0 HD11 LEU A 35 4.825 10.398 -16.094 1.00 5.42 H new ATOM 0 HD12 LEU A 35 6.489 10.256 -16.712 1.00 5.42 H new ATOM 0 HD13 LEU A 35 5.171 9.346 -17.488 1.00 5.42 H new ATOM 0 HD21 LEU A 35 3.802 8.540 -14.801 1.00 1.05 H new ATOM 0 HD22 LEU A 35 4.081 7.366 -16.108 1.00 1.05 H new ATOM 0 HD23 LEU A 35 4.725 7.053 -14.479 1.00 1.05 H new ATOM 535 N PHE A 36 9.094 8.395 -13.889 1.00 20.52 N ATOM 536 CA PHE A 36 9.436 9.178 -12.713 1.00 73.41 C ATOM 537 C PHE A 36 10.817 9.820 -12.864 1.00 62.01 C ATOM 538 O PHE A 36 11.833 9.128 -12.836 1.00 45.32 O ATOM 539 CB PHE A 36 9.462 8.214 -11.526 1.00 3.55 C ATOM 540 CG PHE A 36 8.110 7.563 -11.224 1.00 31.21 C ATOM 541 CD1 PHE A 36 7.702 6.478 -11.936 1.00 21.25 C ATOM 542 CD2 PHE A 36 7.316 8.068 -10.243 1.00 55.31 C ATOM 543 CE1 PHE A 36 6.448 5.874 -11.656 1.00 11.12 C ATOM 544 CE2 PHE A 36 6.062 7.464 -9.962 1.00 43.54 C ATOM 545 CZ PHE A 36 5.654 6.380 -10.675 1.00 24.50 C ATOM 0 H PHE A 36 9.265 7.393 -13.800 1.00 20.52 H new ATOM 0 HA PHE A 36 8.707 9.976 -12.573 1.00 73.41 H new ATOM 0 HB2 PHE A 36 10.195 7.431 -11.722 1.00 3.55 H new ATOM 0 HB3 PHE A 36 9.800 8.753 -10.641 1.00 3.55 H new ATOM 0 HD1 PHE A 36 8.333 6.076 -12.715 1.00 21.25 H new ATOM 0 HD2 PHE A 36 7.639 8.929 -9.677 1.00 55.31 H new ATOM 0 HE1 PHE A 36 6.125 5.013 -12.222 1.00 11.12 H new ATOM 0 HE2 PHE A 36 5.432 7.865 -9.182 1.00 43.54 H new ATOM 0 HZ PHE A 36 4.700 5.921 -10.462 1.00 24.50 H new ATOM 555 N GLY A 37 10.809 11.135 -13.019 1.00 72.03 N ATOM 556 CA GLY A 37 12.048 11.878 -13.174 1.00 54.23 C ATOM 557 C GLY A 37 12.213 12.376 -14.612 1.00 11.10 C ATOM 558 O GLY A 37 13.332 12.491 -15.108 1.00 34.13 O ATOM 0 H GLY A 37 9.964 11.706 -13.041 1.00 72.03 H new ATOM 0 HA2 GLY A 37 12.056 12.726 -12.489 1.00 54.23 H new ATOM 0 HA3 GLY A 37 12.893 11.243 -12.906 1.00 54.23 H new ATOM 562 N ARG A 38 11.081 12.659 -15.240 1.00 20.32 N ATOM 563 CA ARG A 38 11.085 13.142 -16.610 1.00 21.31 C ATOM 564 C ARG A 38 9.880 14.052 -16.856 1.00 12.13 C ATOM 565 O ARG A 38 8.944 14.078 -16.057 1.00 64.01 O ATOM 566 CB ARG A 38 11.050 11.980 -17.604 1.00 72.11 C ATOM 567 CG ARG A 38 9.880 11.040 -17.307 1.00 4.21 C ATOM 568 CD ARG A 38 9.580 10.142 -18.508 1.00 70.22 C ATOM 569 NE ARG A 38 10.373 8.896 -18.422 1.00 24.34 N ATOM 570 CZ ARG A 38 10.272 7.871 -19.294 1.00 4.41 C ATOM 571 NH1 ARG A 38 9.406 7.935 -20.329 1.00 32.22 N ATOM 572 NH2 ARG A 38 11.031 6.805 -19.120 1.00 41.32 N1+ ATOM 0 H ARG A 38 10.154 12.563 -14.825 1.00 20.32 H new ATOM 0 HA ARG A 38 12.006 13.705 -16.760 1.00 21.31 H new ATOM 0 HB2 ARG A 38 10.961 12.367 -18.619 1.00 72.11 H new ATOM 0 HB3 ARG A 38 11.988 11.426 -17.555 1.00 72.11 H new ATOM 0 HG2 ARG A 38 10.114 10.425 -16.438 1.00 4.21 H new ATOM 0 HG3 ARG A 38 8.995 11.624 -17.055 1.00 4.21 H new ATOM 0 HD2 ARG A 38 8.517 9.904 -18.537 1.00 70.22 H new ATOM 0 HD3 ARG A 38 9.815 10.668 -19.433 1.00 70.22 H new ATOM 0 HE ARG A 38 11.039 8.806 -17.654 1.00 24.34 H new ATOM 0 HH11 ARG A 38 8.823 8.762 -20.456 1.00 32.22 H new ATOM 0 HH12 ARG A 38 9.335 7.156 -20.984 1.00 32.22 H new ATOM 0 HH21 ARG A 38 11.682 6.765 -18.335 1.00 41.32 H new ATOM 0 HH22 ARG A 38 10.967 6.022 -19.770 1.00 41.32 H new ATOM 585 N LYS A 39 9.940 14.775 -17.964 1.00 13.22 N ATOM 586 CA LYS A 39 8.865 15.684 -18.325 1.00 74.33 C ATOM 587 C LYS A 39 8.005 15.041 -19.416 1.00 3.51 C ATOM 588 O LYS A 39 8.392 14.032 -20.003 1.00 62.53 O ATOM 589 CB LYS A 39 9.427 17.052 -18.713 1.00 1.41 C ATOM 590 CG LYS A 39 8.302 18.032 -19.053 1.00 54.01 C ATOM 591 CD LYS A 39 8.841 19.455 -19.207 1.00 44.05 C ATOM 592 CE LYS A 39 9.183 20.062 -17.845 1.00 41.14 C ATOM 593 NZ LYS A 39 10.586 19.763 -17.482 1.00 34.23 N1+ ATOM 0 H LYS A 39 10.717 14.750 -18.625 1.00 13.22 H new ATOM 0 HA LYS A 39 8.215 15.864 -17.469 1.00 74.33 H new ATOM 0 HB2 LYS A 39 10.024 17.449 -17.892 1.00 1.41 H new ATOM 0 HB3 LYS A 39 10.093 16.946 -19.570 1.00 1.41 H new ATOM 0 HG2 LYS A 39 7.813 17.723 -19.977 1.00 54.01 H new ATOM 0 HG3 LYS A 39 7.546 18.009 -18.268 1.00 54.01 H new ATOM 0 HD2 LYS A 39 9.730 19.445 -19.838 1.00 44.05 H new ATOM 0 HD3 LYS A 39 8.100 20.076 -19.710 1.00 44.05 H new ATOM 0 HE2 LYS A 39 9.030 21.141 -17.872 1.00 41.14 H new ATOM 0 HE3 LYS A 39 8.512 19.664 -17.084 1.00 41.14 H new ATOM 0 HZ1 LYS A 39 10.709 19.870 -16.455 1.00 34.23 H new ATOM 0 HZ2 LYS A 39 10.816 18.787 -17.758 1.00 34.23 H new ATOM 0 HZ3 LYS A 39 11.221 20.421 -17.977 1.00 34.23 H new ATOM 606 N THR A 40 6.853 15.651 -19.652 1.00 65.31 N ATOM 607 CA THR A 40 5.935 15.151 -20.662 1.00 31.43 C ATOM 608 C THR A 40 6.458 15.470 -22.063 1.00 44.43 C ATOM 609 O THR A 40 7.484 16.132 -22.211 1.00 33.44 O ATOM 610 CB THR A 40 4.554 15.744 -20.378 1.00 11.21 C ATOM 611 OG1 THR A 40 4.705 17.131 -20.667 1.00 13.44 O ATOM 612 CG2 THR A 40 4.194 15.709 -18.891 1.00 70.11 C ATOM 0 H THR A 40 6.534 16.487 -19.162 1.00 65.31 H new ATOM 0 HA THR A 40 5.853 14.065 -20.621 1.00 31.43 H new ATOM 0 HB THR A 40 3.801 15.196 -20.945 1.00 11.21 H new ATOM 0 HG1 THR A 40 4.051 17.396 -21.347 1.00 13.44 H new ATOM 0 HG21 THR A 40 3.204 16.142 -18.746 1.00 70.11 H new ATOM 0 HG22 THR A 40 4.193 14.677 -18.541 1.00 70.11 H new ATOM 0 HG23 THR A 40 4.928 16.283 -18.325 1.00 70.11 H new ATOM 620 N GLY A 41 5.728 14.984 -23.057 1.00 74.22 N ATOM 621 CA GLY A 41 6.106 15.210 -24.442 1.00 71.51 C ATOM 622 C GLY A 41 7.613 15.027 -24.636 1.00 41.34 C ATOM 623 O GLY A 41 8.226 15.725 -25.442 1.00 43.02 O ATOM 0 H GLY A 41 4.878 14.435 -22.931 1.00 74.22 H new ATOM 0 HA2 GLY A 41 5.566 14.518 -25.088 1.00 71.51 H new ATOM 0 HA3 GLY A 41 5.817 16.217 -24.742 1.00 71.51 H new ATOM 627 N GLN A 42 8.164 14.086 -23.885 1.00 44.12 N ATOM 628 CA GLN A 42 9.587 13.802 -23.964 1.00 73.11 C ATOM 629 C GLN A 42 9.844 12.643 -24.930 1.00 50.22 C ATOM 630 O GLN A 42 10.718 12.729 -25.790 1.00 50.14 O ATOM 631 CB GLN A 42 10.165 13.502 -22.580 1.00 52.53 C ATOM 632 CG GLN A 42 10.361 14.789 -21.777 1.00 41.42 C ATOM 633 CD GLN A 42 11.221 15.792 -22.550 1.00 13.22 C ATOM 634 OE1 GLN A 42 10.519 16.677 -23.252 1.00 42.03 O flip ATOM 635 NE2 GLN A 42 12.440 15.763 -22.510 1.00 33.53 N flip ATOM 0 H GLN A 42 7.651 13.510 -23.218 1.00 44.12 H new ATOM 0 HA GLN A 42 10.093 14.688 -24.347 1.00 73.11 H new ATOM 0 HB2 GLN A 42 9.497 12.831 -22.041 1.00 52.53 H new ATOM 0 HB3 GLN A 42 11.119 12.986 -22.685 1.00 52.53 H new ATOM 0 HG2 GLN A 42 9.391 15.233 -21.552 1.00 41.42 H new ATOM 0 HG3 GLN A 42 10.834 14.558 -20.823 1.00 41.42 H new ATOM 0 HE21 GLN A 42 12.915 15.055 -21.950 1.00 33.53 H new ATOM 0 HE22 GLN A 42 12.984 16.446 -23.037 1.00 33.53 H new ATOM 644 N ALA A 43 9.067 11.585 -24.753 1.00 21.43 N ATOM 645 CA ALA A 43 9.199 10.410 -25.598 1.00 13.43 C ATOM 646 C ALA A 43 9.455 10.851 -27.041 1.00 25.42 C ATOM 647 O ALA A 43 8.524 11.218 -27.756 1.00 21.44 O ATOM 648 CB ALA A 43 7.945 9.542 -25.467 1.00 52.04 C ATOM 0 H ALA A 43 8.344 11.517 -24.037 1.00 21.43 H new ATOM 0 HA ALA A 43 10.049 9.804 -25.283 1.00 13.43 H new ATOM 0 HB1 ALA A 43 8.045 8.661 -26.101 1.00 52.04 H new ATOM 0 HB2 ALA A 43 7.825 9.231 -24.429 1.00 52.04 H new ATOM 0 HB3 ALA A 43 7.072 10.115 -25.777 1.00 52.04 H new ATOM 654 N PRO A 44 10.755 10.797 -27.436 1.00 54.23 N ATOM 655 CA PRO A 44 11.146 11.185 -28.781 1.00 32.32 C ATOM 656 C PRO A 44 10.756 10.110 -29.797 1.00 45.34 C ATOM 657 O PRO A 44 10.981 8.923 -29.567 1.00 73.41 O ATOM 658 CB PRO A 44 12.646 11.414 -28.703 1.00 53.35 C ATOM 659 CG PRO A 44 13.113 10.700 -27.446 1.00 23.34 C ATOM 660 CD PRO A 44 11.884 10.366 -26.617 1.00 50.12 C ATOM 0 HA PRO A 44 10.637 12.085 -29.125 1.00 32.32 H new ATOM 0 HB2 PRO A 44 13.148 11.018 -29.586 1.00 53.35 H new ATOM 0 HB3 PRO A 44 12.876 12.478 -28.656 1.00 53.35 H new ATOM 0 HG2 PRO A 44 13.659 9.792 -27.703 1.00 23.34 H new ATOM 0 HG3 PRO A 44 13.796 11.333 -26.879 1.00 23.34 H new ATOM 0 HD2 PRO A 44 11.831 9.299 -26.400 1.00 50.12 H new ATOM 0 HD3 PRO A 44 11.899 10.886 -25.659 1.00 50.12 H new ATOM 668 N GLY A 45 10.179 10.565 -30.900 1.00 22.12 N ATOM 669 CA GLY A 45 9.756 9.658 -31.952 1.00 73.44 C ATOM 670 C GLY A 45 8.367 9.086 -31.659 1.00 55.25 C ATOM 671 O GLY A 45 8.012 8.021 -32.159 1.00 72.31 O ATOM 0 H GLY A 45 9.995 11.551 -31.087 1.00 22.12 H new ATOM 0 HA2 GLY A 45 9.742 10.184 -32.907 1.00 73.44 H new ATOM 0 HA3 GLY A 45 10.475 8.845 -32.047 1.00 73.44 H new ATOM 675 N TYR A 46 7.619 9.821 -30.849 1.00 11.53 N ATOM 676 CA TYR A 46 6.277 9.402 -30.483 1.00 1.24 C ATOM 677 C TYR A 46 5.229 10.366 -31.042 1.00 3.31 C ATOM 678 O TYR A 46 5.545 11.509 -31.370 1.00 11.32 O ATOM 679 CB TYR A 46 6.225 9.441 -28.954 1.00 41.13 C ATOM 680 CG TYR A 46 4.955 8.831 -28.359 1.00 1.24 C ATOM 681 CD1 TYR A 46 4.365 7.739 -28.964 1.00 44.14 C ATOM 682 CD2 TYR A 46 4.399 9.372 -27.217 1.00 52.02 C ATOM 683 CE1 TYR A 46 3.169 7.165 -28.403 1.00 65.11 C ATOM 684 CE2 TYR A 46 3.204 8.796 -26.657 1.00 32.21 C ATOM 685 CZ TYR A 46 2.648 7.721 -27.278 1.00 34.24 C ATOM 686 OH TYR A 46 1.519 7.179 -26.748 1.00 1.12 O ATOM 0 H TYR A 46 7.917 10.705 -30.436 1.00 11.53 H new ATOM 0 HA TYR A 46 6.062 8.411 -30.884 1.00 1.24 H new ATOM 0 HB2 TYR A 46 7.091 8.910 -28.558 1.00 41.13 H new ATOM 0 HB3 TYR A 46 6.307 10.477 -28.624 1.00 41.13 H new ATOM 0 HD1 TYR A 46 4.800 7.316 -29.857 1.00 44.14 H new ATOM 0 HD2 TYR A 46 4.860 10.227 -26.744 1.00 52.02 H new ATOM 0 HE1 TYR A 46 2.697 6.311 -28.866 1.00 65.11 H new ATOM 0 HE2 TYR A 46 2.759 9.208 -25.764 1.00 32.21 H new ATOM 0 HH TYR A 46 1.367 6.293 -27.139 1.00 1.12 H new ATOM 696 N SER A 47 4.004 9.870 -31.134 1.00 12.14 N ATOM 697 CA SER A 47 2.909 10.673 -31.648 1.00 63.25 C ATOM 698 C SER A 47 2.027 11.154 -30.494 1.00 53.23 C ATOM 699 O SER A 47 0.826 10.888 -30.472 1.00 5.24 O ATOM 700 CB SER A 47 2.074 9.884 -32.660 1.00 53.34 C ATOM 701 OG SER A 47 2.794 9.631 -33.863 1.00 2.34 O ATOM 0 H SER A 47 3.746 8.922 -30.861 1.00 12.14 H new ATOM 0 HA SER A 47 3.331 11.538 -32.161 1.00 63.25 H new ATOM 0 HB2 SER A 47 1.765 8.938 -32.216 1.00 53.34 H new ATOM 0 HB3 SER A 47 1.165 10.439 -32.891 1.00 53.34 H new ATOM 0 HG SER A 47 2.228 9.124 -34.482 1.00 2.34 H new ATOM 707 N TYR A 48 2.656 11.856 -29.563 1.00 51.45 N ATOM 708 CA TYR A 48 1.944 12.378 -28.409 1.00 53.45 C ATOM 709 C TYR A 48 0.766 13.252 -28.841 1.00 22.32 C ATOM 710 O TYR A 48 0.391 13.261 -30.013 1.00 41.51 O ATOM 711 CB TYR A 48 2.951 13.240 -27.646 1.00 50.11 C ATOM 712 CG TYR A 48 3.649 12.512 -26.495 1.00 52.33 C ATOM 713 CD1 TYR A 48 2.904 11.793 -25.582 1.00 54.41 C ATOM 714 CD2 TYR A 48 5.022 12.574 -26.370 1.00 33.34 C ATOM 715 CE1 TYR A 48 3.560 11.108 -24.499 1.00 15.30 C ATOM 716 CE2 TYR A 48 5.677 11.889 -25.287 1.00 74.44 C ATOM 717 CZ TYR A 48 4.915 11.189 -24.405 1.00 60.15 C ATOM 718 OH TYR A 48 5.534 10.543 -23.381 1.00 3.35 O ATOM 0 H TYR A 48 3.652 12.076 -29.584 1.00 51.45 H new ATOM 0 HA TYR A 48 1.547 11.564 -27.803 1.00 53.45 H new ATOM 0 HB2 TYR A 48 3.706 13.602 -28.344 1.00 50.11 H new ATOM 0 HB3 TYR A 48 2.437 14.116 -27.250 1.00 50.11 H new ATOM 0 HD1 TYR A 48 1.830 11.744 -25.680 1.00 54.41 H new ATOM 0 HD2 TYR A 48 5.605 13.136 -27.085 1.00 33.34 H new ATOM 0 HE1 TYR A 48 2.989 10.542 -23.777 1.00 15.30 H new ATOM 0 HE2 TYR A 48 6.751 11.930 -25.177 1.00 74.44 H new ATOM 0 HH TYR A 48 6.501 10.687 -23.440 1.00 3.35 H new ATOM 728 N THR A 49 0.213 13.966 -27.871 1.00 35.11 N ATOM 729 CA THR A 49 -0.916 14.842 -28.136 1.00 64.22 C ATOM 730 C THR A 49 -0.529 16.301 -27.887 1.00 54.14 C ATOM 731 O THR A 49 0.439 16.578 -27.180 1.00 75.51 O ATOM 732 CB THR A 49 -2.092 14.371 -27.279 1.00 13.11 C ATOM 733 OG1 THR A 49 -1.631 14.528 -25.940 1.00 51.35 O ATOM 734 CG2 THR A 49 -2.347 12.868 -27.412 1.00 63.01 C ATOM 0 H THR A 49 0.526 13.956 -26.900 1.00 35.11 H new ATOM 0 HA THR A 49 -1.217 14.792 -29.182 1.00 64.22 H new ATOM 0 HB THR A 49 -2.991 14.919 -27.563 1.00 13.11 H new ATOM 0 HG1 THR A 49 -2.333 14.247 -25.317 1.00 51.35 H new ATOM 0 HG21 THR A 49 -3.192 12.585 -26.784 1.00 63.01 H new ATOM 0 HG22 THR A 49 -2.571 12.628 -28.451 1.00 63.01 H new ATOM 0 HG23 THR A 49 -1.460 12.319 -27.096 1.00 63.01 H new ATOM 742 N ALA A 50 -1.303 17.195 -28.482 1.00 24.34 N ATOM 743 CA ALA A 50 -1.054 18.620 -28.333 1.00 24.32 C ATOM 744 C ALA A 50 -1.255 19.018 -26.870 1.00 54.32 C ATOM 745 O ALA A 50 -0.844 20.101 -26.455 1.00 62.11 O ATOM 746 CB ALA A 50 -1.966 19.400 -29.282 1.00 42.13 C ATOM 0 H ALA A 50 -2.104 16.961 -29.069 1.00 24.34 H new ATOM 0 HA ALA A 50 -0.025 18.860 -28.601 1.00 24.32 H new ATOM 0 HB1 ALA A 50 -1.779 20.468 -29.170 1.00 42.13 H new ATOM 0 HB2 ALA A 50 -1.762 19.102 -30.310 1.00 42.13 H new ATOM 0 HB3 ALA A 50 -3.008 19.187 -29.043 1.00 42.13 H new ATOM 752 N ALA A 51 -1.889 18.122 -26.128 1.00 13.53 N ATOM 753 CA ALA A 51 -2.150 18.366 -24.720 1.00 20.33 C ATOM 754 C ALA A 51 -1.077 17.674 -23.878 1.00 71.23 C ATOM 755 O ALA A 51 -0.944 17.948 -22.687 1.00 42.11 O ATOM 756 CB ALA A 51 -3.562 17.888 -24.373 1.00 31.52 C ATOM 0 H ALA A 51 -2.230 17.226 -26.476 1.00 13.53 H new ATOM 0 HA ALA A 51 -2.103 19.433 -24.500 1.00 20.33 H new ATOM 0 HB1 ALA A 51 -3.759 18.071 -23.317 1.00 31.52 H new ATOM 0 HB2 ALA A 51 -4.289 18.432 -24.977 1.00 31.52 H new ATOM 0 HB3 ALA A 51 -3.646 16.821 -24.578 1.00 31.52 H new ATOM 762 N ASN A 52 -0.337 16.790 -24.531 1.00 33.55 N ATOM 763 CA ASN A 52 0.721 16.056 -23.858 1.00 3.30 C ATOM 764 C ASN A 52 1.890 17.001 -23.574 1.00 32.21 C ATOM 765 O ASN A 52 2.557 16.878 -22.549 1.00 0.33 O ATOM 766 CB ASN A 52 1.239 14.912 -24.732 1.00 62.11 C ATOM 767 CG ASN A 52 2.351 14.138 -24.019 1.00 74.35 C ATOM 768 OD1 ASN A 52 3.503 14.144 -24.420 1.00 73.55 O ATOM 769 ND2 ASN A 52 1.942 13.473 -22.942 1.00 24.25 N ATOM 0 H ASN A 52 -0.449 16.565 -25.520 1.00 33.55 H new ATOM 0 HA ASN A 52 0.313 15.647 -22.934 1.00 3.30 H new ATOM 0 HB2 ASN A 52 0.419 14.236 -24.976 1.00 62.11 H new ATOM 0 HB3 ASN A 52 1.615 15.311 -25.674 1.00 62.11 H new ATOM 0 HD21 ASN A 52 2.608 12.926 -22.397 1.00 24.25 H new ATOM 0 HD22 ASN A 52 0.962 13.511 -22.661 1.00 24.25 H new ATOM 776 N LYS A 53 2.103 17.923 -24.502 1.00 51.52 N ATOM 777 CA LYS A 53 3.180 18.889 -24.364 1.00 63.12 C ATOM 778 C LYS A 53 2.670 20.108 -23.593 1.00 71.04 C ATOM 779 O LYS A 53 3.335 20.589 -22.676 1.00 34.03 O ATOM 780 CB LYS A 53 3.771 19.230 -25.734 1.00 51.14 C ATOM 781 CG LYS A 53 4.139 17.961 -26.504 1.00 72.33 C ATOM 782 CD LYS A 53 3.078 17.632 -27.558 1.00 61.33 C ATOM 783 CE LYS A 53 3.448 18.236 -28.914 1.00 25.12 C ATOM 784 NZ LYS A 53 4.486 17.417 -29.580 1.00 11.21 N1+ ATOM 0 H LYS A 53 1.548 18.021 -25.352 1.00 51.52 H new ATOM 0 HA LYS A 53 4.001 18.466 -23.784 1.00 63.12 H new ATOM 0 HB2 LYS A 53 3.052 19.813 -26.309 1.00 51.14 H new ATOM 0 HB3 LYS A 53 4.657 19.852 -25.607 1.00 51.14 H new ATOM 0 HG2 LYS A 53 5.108 18.092 -26.986 1.00 72.33 H new ATOM 0 HG3 LYS A 53 4.239 17.126 -25.810 1.00 72.33 H new ATOM 0 HD2 LYS A 53 2.977 16.551 -27.653 1.00 61.33 H new ATOM 0 HD3 LYS A 53 2.110 18.016 -27.237 1.00 61.33 H new ATOM 0 HE2 LYS A 53 2.562 18.295 -29.546 1.00 25.12 H new ATOM 0 HE3 LYS A 53 3.812 19.255 -28.778 1.00 25.12 H new ATOM 0 HZ1 LYS A 53 5.044 18.017 -30.221 1.00 11.21 H new ATOM 0 HZ2 LYS A 53 5.113 17.001 -28.862 1.00 11.21 H new ATOM 0 HZ3 LYS A 53 4.032 16.657 -30.125 1.00 11.21 H new ATOM 797 N ASN A 54 1.495 20.573 -23.992 1.00 23.11 N ATOM 798 CA ASN A 54 0.889 21.726 -23.350 1.00 62.43 C ATOM 799 C ASN A 54 1.106 21.635 -21.838 1.00 74.05 C ATOM 800 O ASN A 54 1.525 22.605 -21.208 1.00 24.23 O ATOM 801 CB ASN A 54 -0.617 21.772 -23.609 1.00 40.12 C ATOM 802 CG ASN A 54 -0.916 22.305 -25.011 1.00 73.51 C ATOM 803 OD1 ASN A 54 -0.029 22.613 -25.790 1.00 23.41 O ATOM 804 ND2 ASN A 54 -2.214 22.397 -25.290 1.00 32.23 N ATOM 0 H ASN A 54 0.947 20.171 -24.753 1.00 23.11 H new ATOM 0 HA ASN A 54 1.353 22.623 -23.760 1.00 62.43 H new ATOM 0 HB2 ASN A 54 -1.039 20.773 -23.498 1.00 40.12 H new ATOM 0 HB3 ASN A 54 -1.098 22.406 -22.865 1.00 40.12 H new ATOM 0 HD21 ASN A 54 -2.517 22.742 -26.201 1.00 32.23 H new ATOM 0 HD22 ASN A 54 -2.906 22.123 -24.593 1.00 32.23 H new ATOM 811 N LYS A 55 0.811 20.461 -21.299 1.00 72.24 N ATOM 812 CA LYS A 55 0.970 20.231 -19.873 1.00 1.14 C ATOM 813 C LYS A 55 2.356 20.704 -19.435 1.00 53.42 C ATOM 814 O LYS A 55 2.492 21.772 -18.838 1.00 12.22 O ATOM 815 CB LYS A 55 0.683 18.767 -19.532 1.00 73.04 C ATOM 816 CG LYS A 55 0.373 18.602 -18.043 1.00 64.50 C ATOM 817 CD LYS A 55 -1.131 18.705 -17.782 1.00 75.50 C ATOM 818 CE LYS A 55 -1.413 19.494 -16.501 1.00 64.34 C ATOM 819 NZ LYS A 55 -2.694 19.062 -15.898 1.00 3.42 N1+ ATOM 0 H LYS A 55 0.463 19.659 -21.824 1.00 72.24 H new ATOM 0 HA LYS A 55 0.242 20.815 -19.310 1.00 1.14 H new ATOM 0 HB2 LYS A 55 -0.160 18.410 -20.124 1.00 73.04 H new ATOM 0 HB3 LYS A 55 1.543 18.152 -19.798 1.00 73.04 H new ATOM 0 HG2 LYS A 55 0.741 17.636 -17.696 1.00 64.50 H new ATOM 0 HG3 LYS A 55 0.898 19.367 -17.471 1.00 64.50 H new ATOM 0 HD2 LYS A 55 -1.618 19.191 -18.627 1.00 75.50 H new ATOM 0 HD3 LYS A 55 -1.559 17.706 -17.699 1.00 75.50 H new ATOM 0 HE2 LYS A 55 -0.601 19.346 -15.789 1.00 64.34 H new ATOM 0 HE3 LYS A 55 -1.451 20.560 -16.724 1.00 64.34 H new ATOM 0 HZ1 LYS A 55 -2.972 19.734 -15.155 1.00 3.42 H new ATOM 0 HZ2 LYS A 55 -3.431 19.033 -16.632 1.00 3.42 H new ATOM 0 HZ3 LYS A 55 -2.581 18.115 -15.484 1.00 3.42 H new ATOM 832 N GLY A 56 3.352 19.888 -19.748 1.00 41.10 N ATOM 833 CA GLY A 56 4.724 20.210 -19.394 1.00 23.55 C ATOM 834 C GLY A 56 4.908 20.231 -17.876 1.00 73.03 C ATOM 835 O GLY A 56 4.881 21.294 -17.257 1.00 71.12 O ATOM 0 H GLY A 56 3.236 19.004 -20.243 1.00 41.10 H new ATOM 0 HA2 GLY A 56 5.399 19.477 -19.836 1.00 23.55 H new ATOM 0 HA3 GLY A 56 4.992 21.181 -19.810 1.00 23.55 H new ATOM 839 N ILE A 57 5.090 19.043 -17.317 1.00 34.25 N ATOM 840 CA ILE A 57 5.279 18.911 -15.883 1.00 4.20 C ATOM 841 C ILE A 57 6.236 17.751 -15.603 1.00 44.42 C ATOM 842 O ILE A 57 6.463 16.907 -16.468 1.00 10.04 O ATOM 843 CB ILE A 57 3.928 18.777 -15.175 1.00 10.34 C ATOM 844 CG1 ILE A 57 2.935 17.993 -16.034 1.00 23.30 C ATOM 845 CG2 ILE A 57 3.382 20.149 -14.775 1.00 35.13 C ATOM 846 CD1 ILE A 57 3.332 16.518 -16.123 1.00 51.13 C ATOM 0 H ILE A 57 5.110 18.163 -17.832 1.00 34.25 H new ATOM 0 HA ILE A 57 5.740 19.811 -15.476 1.00 4.20 H new ATOM 0 HB ILE A 57 4.077 18.209 -14.257 1.00 10.34 H new ATOM 0 HG12 ILE A 57 1.935 18.079 -15.610 1.00 23.30 H new ATOM 0 HG13 ILE A 57 2.895 18.424 -17.035 1.00 23.30 H new ATOM 0 HG21 ILE A 57 2.422 20.027 -14.274 1.00 35.13 H new ATOM 0 HG22 ILE A 57 4.084 20.637 -14.099 1.00 35.13 H new ATOM 0 HG23 ILE A 57 3.250 20.762 -15.666 1.00 35.13 H new ATOM 0 HD11 ILE A 57 2.609 15.983 -16.739 1.00 51.13 H new ATOM 0 HD12 ILE A 57 4.323 16.434 -16.570 1.00 51.13 H new ATOM 0 HD13 ILE A 57 3.347 16.084 -15.123 1.00 51.13 H new ATOM 858 N ILE A 58 6.774 17.748 -14.392 1.00 31.21 N ATOM 859 CA ILE A 58 7.702 16.706 -13.988 1.00 43.43 C ATOM 860 C ILE A 58 6.944 15.626 -13.212 1.00 60.14 C ATOM 861 O ILE A 58 6.686 15.780 -12.019 1.00 21.20 O ATOM 862 CB ILE A 58 8.878 17.306 -13.215 1.00 45.12 C ATOM 863 CG1 ILE A 58 9.630 18.328 -14.070 1.00 53.42 C ATOM 864 CG2 ILE A 58 9.804 16.209 -12.687 1.00 60.01 C ATOM 865 CD1 ILE A 58 9.964 17.752 -15.448 1.00 11.43 C ATOM 0 H ILE A 58 6.585 18.451 -13.678 1.00 31.21 H new ATOM 0 HA ILE A 58 8.138 16.224 -14.863 1.00 43.43 H new ATOM 0 HB ILE A 58 8.483 17.838 -12.349 1.00 45.12 H new ATOM 0 HG12 ILE A 58 9.024 19.227 -14.185 1.00 53.42 H new ATOM 0 HG13 ILE A 58 10.549 18.625 -13.564 1.00 53.42 H new ATOM 0 HG21 ILE A 58 10.631 16.663 -12.142 1.00 60.01 H new ATOM 0 HG22 ILE A 58 9.246 15.552 -12.020 1.00 60.01 H new ATOM 0 HG23 ILE A 58 10.195 15.629 -13.523 1.00 60.01 H new ATOM 0 HD11 ILE A 58 10.498 18.499 -16.035 1.00 11.43 H new ATOM 0 HD12 ILE A 58 10.590 16.867 -15.331 1.00 11.43 H new ATOM 0 HD13 ILE A 58 9.042 17.479 -15.961 1.00 11.43 H new ATOM 877 N TRP A 59 6.609 14.559 -13.921 1.00 42.03 N ATOM 878 CA TRP A 59 5.886 13.454 -13.315 1.00 53.42 C ATOM 879 C TRP A 59 6.585 13.095 -12.002 1.00 35.14 C ATOM 880 O TRP A 59 7.688 13.569 -11.732 1.00 11.40 O ATOM 881 CB TRP A 59 5.782 12.271 -14.279 1.00 61.43 C ATOM 882 CG TRP A 59 5.022 12.585 -15.569 1.00 4.33 C ATOM 883 CD1 TRP A 59 5.485 12.556 -16.827 1.00 71.34 C ATOM 884 CD2 TRP A 59 3.639 12.980 -15.678 1.00 13.24 C ATOM 885 NE1 TRP A 59 4.505 12.901 -17.734 1.00 20.21 N ATOM 886 CE2 TRP A 59 3.346 13.167 -17.014 1.00 13.32 C ATOM 887 CE3 TRP A 59 2.666 13.173 -14.682 1.00 30.40 C ATOM 888 CZ2 TRP A 59 2.083 13.556 -17.475 1.00 41.54 C ATOM 889 CZ3 TRP A 59 1.408 13.561 -15.160 1.00 15.13 C ATOM 890 CH2 TRP A 59 1.098 13.755 -16.501 1.00 21.05 C ATOM 0 H TRP A 59 6.825 14.436 -14.910 1.00 42.03 H new ATOM 0 HA TRP A 59 4.858 13.741 -13.095 1.00 53.42 H new ATOM 0 HB2 TRP A 59 6.787 11.934 -14.534 1.00 61.43 H new ATOM 0 HB3 TRP A 59 5.288 11.443 -13.770 1.00 61.43 H new ATOM 0 HD1 TRP A 59 6.498 12.295 -17.096 1.00 71.34 H new ATOM 0 HE1 TRP A 59 4.611 12.952 -18.747 1.00 20.21 H new ATOM 0 HE3 TRP A 59 2.872 13.033 -13.631 1.00 30.40 H new ATOM 0 HZ2 TRP A 59 1.879 13.695 -18.526 1.00 41.54 H new ATOM 0 HZ3 TRP A 59 0.623 13.721 -14.435 1.00 15.13 H new ATOM 0 HH2 TRP A 59 0.102 14.058 -16.790 1.00 21.05 H new ATOM 901 N GLY A 60 5.916 12.261 -11.220 1.00 53.12 N ATOM 902 CA GLY A 60 6.459 11.833 -9.942 1.00 65.12 C ATOM 903 C GLY A 60 5.408 11.082 -9.123 1.00 54.35 C ATOM 904 O GLY A 60 4.570 10.375 -9.680 1.00 52.13 O ATOM 0 H GLY A 60 5.002 11.870 -11.447 1.00 53.12 H new ATOM 0 HA2 GLY A 60 7.324 11.190 -10.107 1.00 65.12 H new ATOM 0 HA3 GLY A 60 6.809 12.701 -9.383 1.00 65.12 H new ATOM 908 N GLU A 61 5.486 11.262 -7.812 1.00 1.21 N ATOM 909 CA GLU A 61 4.551 10.610 -6.911 1.00 74.52 C ATOM 910 C GLU A 61 3.322 11.494 -6.689 1.00 21.13 C ATOM 911 O GLU A 61 2.253 11.001 -6.336 1.00 72.12 O ATOM 912 CB GLU A 61 5.224 10.262 -5.581 1.00 44.23 C ATOM 913 CG GLU A 61 6.283 9.175 -5.771 1.00 1.31 C ATOM 914 CD GLU A 61 7.409 9.322 -4.745 1.00 23.15 C ATOM 915 OE1 GLU A 61 8.567 9.550 -5.125 1.00 64.15 O ATOM 916 OE2 GLU A 61 7.046 9.192 -3.514 1.00 43.33 O1- ATOM 0 H GLU A 61 6.182 11.850 -7.353 1.00 1.21 H new ATOM 0 HA GLU A 61 4.224 9.677 -7.371 1.00 74.52 H new ATOM 0 HB2 GLU A 61 5.685 11.154 -5.158 1.00 44.23 H new ATOM 0 HB3 GLU A 61 4.473 9.923 -4.867 1.00 44.23 H new ATOM 0 HG2 GLU A 61 5.822 8.192 -5.672 1.00 1.31 H new ATOM 0 HG3 GLU A 61 6.694 9.235 -6.779 1.00 1.31 H new ATOM 924 N ASP A 62 3.518 12.787 -6.905 1.00 52.34 N ATOM 925 CA ASP A 62 2.439 13.746 -6.733 1.00 22.22 C ATOM 926 C ASP A 62 1.711 13.933 -8.066 1.00 44.15 C ATOM 927 O ASP A 62 0.544 13.571 -8.196 1.00 22.13 O ATOM 928 CB ASP A 62 2.978 15.108 -6.292 1.00 1.41 C ATOM 929 CG ASP A 62 3.111 15.292 -4.779 1.00 52.20 C ATOM 930 OD1 ASP A 62 4.219 15.227 -4.223 1.00 2.01 O ATOM 931 OD2 ASP A 62 2.004 15.514 -4.157 1.00 21.24 O1- ATOM 0 H ASP A 62 4.407 13.193 -7.197 1.00 52.34 H new ATOM 0 HA ASP A 62 1.764 13.361 -5.968 1.00 22.22 H new ATOM 0 HB2 ASP A 62 3.956 15.260 -6.749 1.00 1.41 H new ATOM 0 HB3 ASP A 62 2.320 15.885 -6.681 1.00 1.41 H new ATOM 937 N THR A 63 2.432 14.500 -9.022 1.00 72.52 N ATOM 938 CA THR A 63 1.870 14.740 -10.340 1.00 21.51 C ATOM 939 C THR A 63 0.975 13.572 -10.758 1.00 21.32 C ATOM 940 O THR A 63 -0.015 13.765 -11.462 1.00 40.52 O ATOM 941 CB THR A 63 3.027 14.996 -11.308 1.00 0.41 C ATOM 942 OG1 THR A 63 3.865 13.854 -11.157 1.00 52.45 O ATOM 943 CG2 THR A 63 3.910 16.166 -10.868 1.00 31.44 C ATOM 0 H THR A 63 3.400 14.800 -8.910 1.00 72.52 H new ATOM 0 HA THR A 63 1.226 15.619 -10.342 1.00 21.51 H new ATOM 0 HB THR A 63 2.630 15.194 -12.304 1.00 0.41 H new ATOM 0 HG1 THR A 63 3.479 13.098 -11.647 1.00 52.45 H new ATOM 0 HG21 THR A 63 4.715 16.305 -11.589 1.00 31.44 H new ATOM 0 HG22 THR A 63 3.310 17.074 -10.814 1.00 31.44 H new ATOM 0 HG23 THR A 63 4.334 15.953 -9.887 1.00 31.44 H new ATOM 951 N LEU A 64 1.355 12.385 -10.308 1.00 13.22 N ATOM 952 CA LEU A 64 0.599 11.186 -10.628 1.00 63.53 C ATOM 953 C LEU A 64 -0.702 11.179 -9.821 1.00 64.34 C ATOM 954 O LEU A 64 -1.784 11.338 -10.382 1.00 55.10 O ATOM 955 CB LEU A 64 1.459 9.939 -10.418 1.00 44.42 C ATOM 956 CG LEU A 64 2.516 9.665 -11.489 1.00 60.21 C ATOM 957 CD1 LEU A 64 3.411 8.491 -11.090 1.00 64.04 C ATOM 958 CD2 LEU A 64 1.866 9.451 -12.858 1.00 52.11 C ATOM 0 H LEU A 64 2.177 12.228 -9.724 1.00 13.22 H new ATOM 0 HA LEU A 64 0.322 11.180 -11.682 1.00 63.53 H new ATOM 0 HB2 LEU A 64 1.961 10.026 -9.454 1.00 44.42 H new ATOM 0 HB3 LEU A 64 0.800 9.073 -10.357 1.00 44.42 H new ATOM 0 HG LEU A 64 3.156 10.544 -11.569 1.00 60.21 H new ATOM 0 HD11 LEU A 64 4.153 8.318 -11.869 1.00 64.04 H new ATOM 0 HD12 LEU A 64 3.916 8.721 -10.152 1.00 64.04 H new ATOM 0 HD13 LEU A 64 2.802 7.596 -10.964 1.00 64.04 H new ATOM 0 HD21 LEU A 64 2.639 9.258 -13.602 1.00 52.11 H new ATOM 0 HD22 LEU A 64 1.188 8.599 -12.810 1.00 52.11 H new ATOM 0 HD23 LEU A 64 1.307 10.344 -13.139 1.00 52.11 H new ATOM 970 N MET A 65 -0.551 10.993 -8.518 1.00 33.24 N ATOM 971 CA MET A 65 -1.700 10.962 -7.629 1.00 54.13 C ATOM 972 C MET A 65 -2.752 11.987 -8.058 1.00 25.33 C ATOM 973 O MET A 65 -3.947 11.779 -7.851 1.00 22.02 O ATOM 974 CB MET A 65 -1.248 11.263 -6.199 1.00 42.51 C ATOM 975 CG MET A 65 -2.354 10.936 -5.194 1.00 50.02 C ATOM 976 SD MET A 65 -1.709 11.007 -3.531 1.00 13.13 S ATOM 977 CE MET A 65 -1.697 9.268 -3.128 1.00 15.21 C ATOM 0 H MET A 65 0.349 10.862 -8.057 1.00 33.24 H new ATOM 0 HA MET A 65 -2.146 9.969 -7.677 1.00 54.13 H new ATOM 0 HB2 MET A 65 -0.356 10.681 -5.966 1.00 42.51 H new ATOM 0 HB3 MET A 65 -0.974 12.315 -6.114 1.00 42.51 H new ATOM 0 HG2 MET A 65 -3.177 11.642 -5.304 1.00 50.02 H new ATOM 0 HG3 MET A 65 -2.757 9.943 -5.394 1.00 50.02 H new ATOM 0 HE1 MET A 65 -1.128 9.111 -2.212 1.00 15.21 H new ATOM 0 HE2 MET A 65 -2.720 8.921 -2.984 1.00 15.21 H new ATOM 0 HE3 MET A 65 -1.235 8.709 -3.942 1.00 15.21 H new ATOM 987 N GLU A 66 -2.270 13.071 -8.649 1.00 74.14 N ATOM 988 CA GLU A 66 -3.155 14.128 -9.108 1.00 73.33 C ATOM 989 C GLU A 66 -3.761 13.761 -10.464 1.00 2.43 C ATOM 990 O GLU A 66 -4.979 13.795 -10.633 1.00 72.31 O ATOM 991 CB GLU A 66 -2.417 15.466 -9.182 1.00 53.20 C ATOM 992 CG GLU A 66 -3.404 16.636 -9.205 1.00 12.14 C ATOM 993 CD GLU A 66 -4.287 16.633 -7.956 1.00 45.11 C ATOM 994 OE1 GLU A 66 -5.490 16.922 -8.047 1.00 41.11 O ATOM 995 OE2 GLU A 66 -3.683 16.314 -6.862 1.00 22.52 O1- ATOM 0 H GLU A 66 -1.279 13.240 -8.820 1.00 74.14 H new ATOM 0 HA GLU A 66 -3.965 14.236 -8.387 1.00 73.33 H new ATOM 0 HB2 GLU A 66 -1.750 15.565 -8.326 1.00 53.20 H new ATOM 0 HB3 GLU A 66 -1.794 15.493 -10.076 1.00 53.20 H new ATOM 0 HG2 GLU A 66 -2.857 17.577 -9.266 1.00 12.14 H new ATOM 0 HG3 GLU A 66 -4.028 16.572 -10.096 1.00 12.14 H new ATOM 1003 N TYR A 67 -2.884 13.418 -11.395 1.00 23.00 N ATOM 1004 CA TYR A 67 -3.317 13.046 -12.731 1.00 3.25 C ATOM 1005 C TYR A 67 -4.279 11.857 -12.683 1.00 54.14 C ATOM 1006 O TYR A 67 -5.396 11.937 -13.193 1.00 20.25 O ATOM 1007 CB TYR A 67 -2.052 12.632 -13.485 1.00 71.14 C ATOM 1008 CG TYR A 67 -2.310 12.127 -14.906 1.00 24.31 C ATOM 1009 CD1 TYR A 67 -3.331 12.674 -15.657 1.00 40.42 C ATOM 1010 CD2 TYR A 67 -1.524 11.125 -15.437 1.00 64.21 C ATOM 1011 CE1 TYR A 67 -3.575 12.200 -16.994 1.00 20.05 C ATOM 1012 CE2 TYR A 67 -1.768 10.650 -16.774 1.00 44.34 C ATOM 1013 CZ TYR A 67 -2.782 11.211 -17.487 1.00 2.03 C ATOM 1014 OH TYR A 67 -3.012 10.762 -18.750 1.00 60.35 O ATOM 0 H TYR A 67 -1.875 13.390 -11.251 1.00 23.00 H new ATOM 0 HA TYR A 67 -3.837 13.875 -13.211 1.00 3.25 H new ATOM 0 HB2 TYR A 67 -1.374 13.484 -13.531 1.00 71.14 H new ATOM 0 HB3 TYR A 67 -1.544 11.851 -12.920 1.00 71.14 H new ATOM 0 HD1 TYR A 67 -3.947 13.458 -15.241 1.00 40.42 H new ATOM 0 HD2 TYR A 67 -0.725 10.697 -14.849 1.00 64.21 H new ATOM 0 HE1 TYR A 67 -4.370 12.620 -17.592 1.00 20.05 H new ATOM 0 HE2 TYR A 67 -1.160 9.866 -17.201 1.00 44.34 H new ATOM 0 HH TYR A 67 -2.845 9.797 -18.790 1.00 60.35 H new ATOM 1024 N LEU A 68 -3.811 10.783 -12.066 1.00 23.24 N ATOM 1025 CA LEU A 68 -4.618 9.579 -11.945 1.00 1.14 C ATOM 1026 C LEU A 68 -6.061 9.968 -11.623 1.00 70.03 C ATOM 1027 O LEU A 68 -6.990 9.543 -12.311 1.00 54.01 O ATOM 1028 CB LEU A 68 -3.997 8.620 -10.927 1.00 71.15 C ATOM 1029 CG LEU A 68 -2.760 7.851 -11.396 1.00 40.05 C ATOM 1030 CD1 LEU A 68 -1.941 7.352 -10.205 1.00 22.43 C ATOM 1031 CD2 LEU A 68 -3.149 6.713 -12.342 1.00 54.34 C ATOM 0 H LEU A 68 -2.884 10.720 -11.644 1.00 23.24 H new ATOM 0 HA LEU A 68 -4.638 9.036 -12.890 1.00 1.14 H new ATOM 0 HB2 LEU A 68 -3.730 9.190 -10.037 1.00 71.15 H new ATOM 0 HB3 LEU A 68 -4.757 7.898 -10.627 1.00 71.15 H new ATOM 0 HG LEU A 68 -2.125 8.535 -11.959 1.00 40.05 H new ATOM 0 HD11 LEU A 68 -1.068 6.809 -10.566 1.00 22.43 H new ATOM 0 HD12 LEU A 68 -1.617 8.202 -9.605 1.00 22.43 H new ATOM 0 HD13 LEU A 68 -2.554 6.689 -9.594 1.00 22.43 H new ATOM 0 HD21 LEU A 68 -2.252 6.182 -12.661 1.00 54.34 H new ATOM 0 HD22 LEU A 68 -3.815 6.022 -11.825 1.00 54.34 H new ATOM 0 HD23 LEU A 68 -3.657 7.123 -13.215 1.00 54.34 H new ATOM 1043 N GLU A 69 -6.206 10.770 -10.579 1.00 20.13 N ATOM 1044 CA GLU A 69 -7.522 11.220 -10.158 1.00 44.21 C ATOM 1045 C GLU A 69 -8.389 11.540 -11.377 1.00 21.20 C ATOM 1046 O GLU A 69 -9.409 10.891 -11.606 1.00 32.34 O ATOM 1047 CB GLU A 69 -7.416 12.430 -9.227 1.00 23.33 C ATOM 1048 CG GLU A 69 -8.724 12.653 -8.466 1.00 33.31 C ATOM 1049 CD GLU A 69 -8.488 13.473 -7.197 1.00 75.21 C ATOM 1050 OE1 GLU A 69 -7.701 14.431 -7.216 1.00 44.32 O ATOM 1051 OE2 GLU A 69 -9.156 13.084 -6.165 1.00 54.32 O1- ATOM 0 H GLU A 69 -5.434 11.120 -10.012 1.00 20.13 H new ATOM 0 HA GLU A 69 -7.998 10.414 -9.600 1.00 44.21 H new ATOM 0 HB2 GLU A 69 -6.601 12.278 -8.519 1.00 23.33 H new ATOM 0 HB3 GLU A 69 -7.173 13.320 -9.808 1.00 23.33 H new ATOM 0 HG2 GLU A 69 -9.439 13.168 -9.108 1.00 33.31 H new ATOM 0 HG3 GLU A 69 -9.165 11.691 -8.205 1.00 33.31 H new ATOM 1059 N ASN A 70 -7.951 12.541 -12.128 1.00 12.20 N ATOM 1060 CA ASN A 70 -8.674 12.955 -13.319 1.00 10.35 C ATOM 1061 C ASN A 70 -7.675 13.262 -14.435 1.00 50.13 C ATOM 1062 O ASN A 70 -7.126 14.361 -14.497 1.00 4.21 O ATOM 1063 CB ASN A 70 -9.492 14.220 -13.054 1.00 54.31 C ATOM 1064 CG ASN A 70 -10.751 14.250 -13.922 1.00 33.25 C ATOM 1065 OD1 ASN A 70 -10.804 13.691 -15.004 1.00 62.01 O ATOM 1066 ND2 ASN A 70 -11.759 14.935 -13.389 1.00 64.01 N ATOM 0 H ASN A 70 -7.105 13.077 -11.935 1.00 12.20 H new ATOM 0 HA ASN A 70 -9.345 12.145 -13.605 1.00 10.35 H new ATOM 0 HB2 ASN A 70 -9.771 14.263 -12.001 1.00 54.31 H new ATOM 0 HB3 ASN A 70 -8.883 15.101 -13.259 1.00 54.31 H new ATOM 0 HD21 ASN A 70 -12.643 15.016 -13.892 1.00 64.01 H new ATOM 0 HD22 ASN A 70 -11.648 15.380 -12.478 1.00 64.01 H new ATOM 1073 N PRO A 71 -7.463 12.245 -15.314 1.00 2.03 N ATOM 1074 CA PRO A 71 -6.540 12.395 -16.425 1.00 62.33 C ATOM 1075 C PRO A 71 -7.146 13.267 -17.527 1.00 21.13 C ATOM 1076 O PRO A 71 -6.546 14.259 -17.940 1.00 13.34 O ATOM 1077 CB PRO A 71 -6.242 10.978 -16.885 1.00 51.50 C ATOM 1078 CG PRO A 71 -7.360 10.115 -16.323 1.00 20.32 C ATOM 1079 CD PRO A 71 -8.095 10.930 -15.271 1.00 43.43 C ATOM 0 HA PRO A 71 -5.621 12.908 -16.141 1.00 62.33 H new ATOM 0 HB2 PRO A 71 -6.212 10.919 -17.973 1.00 51.50 H new ATOM 0 HB3 PRO A 71 -5.270 10.645 -16.520 1.00 51.50 H new ATOM 0 HG2 PRO A 71 -8.043 9.811 -17.116 1.00 20.32 H new ATOM 0 HG3 PRO A 71 -6.955 9.203 -15.885 1.00 20.32 H new ATOM 0 HD2 PRO A 71 -9.160 10.995 -15.493 1.00 43.43 H new ATOM 0 HD3 PRO A 71 -8.002 10.478 -14.283 1.00 43.43 H new ATOM 1087 N LYS A 72 -8.327 12.866 -17.972 1.00 52.22 N ATOM 1088 CA LYS A 72 -9.021 13.598 -19.019 1.00 43.01 C ATOM 1089 C LYS A 72 -8.929 15.097 -18.733 1.00 54.30 C ATOM 1090 O LYS A 72 -8.969 15.912 -19.652 1.00 52.53 O ATOM 1091 CB LYS A 72 -10.456 13.086 -19.169 1.00 3.34 C ATOM 1092 CG LYS A 72 -11.318 13.516 -17.980 1.00 13.21 C ATOM 1093 CD LYS A 72 -12.781 13.681 -18.395 1.00 21.22 C ATOM 1094 CE LYS A 72 -13.411 12.328 -18.732 1.00 74.53 C ATOM 1095 NZ LYS A 72 -13.685 11.562 -17.496 1.00 65.43 N1+ ATOM 0 H LYS A 72 -8.822 12.043 -17.627 1.00 52.22 H new ATOM 0 HA LYS A 72 -8.544 13.428 -19.984 1.00 43.01 H new ATOM 0 HB2 LYS A 72 -10.888 13.469 -20.094 1.00 3.34 H new ATOM 0 HB3 LYS A 72 -10.452 11.999 -19.246 1.00 3.34 H new ATOM 0 HG2 LYS A 72 -11.243 12.774 -17.185 1.00 13.21 H new ATOM 0 HG3 LYS A 72 -10.943 14.456 -17.575 1.00 13.21 H new ATOM 0 HD2 LYS A 72 -13.340 14.156 -17.589 1.00 21.22 H new ATOM 0 HD3 LYS A 72 -12.845 14.342 -19.260 1.00 21.22 H new ATOM 0 HE2 LYS A 72 -14.337 12.479 -19.286 1.00 74.53 H new ATOM 0 HE3 LYS A 72 -12.742 11.760 -19.378 1.00 74.53 H new ATOM 0 HZ1 LYS A 72 -14.262 10.728 -17.725 1.00 65.43 H new ATOM 0 HZ2 LYS A 72 -12.787 11.256 -17.071 1.00 65.43 H new ATOM 0 HZ3 LYS A 72 -14.200 12.164 -16.822 1.00 65.43 H new ATOM 1108 N LYS A 73 -8.808 15.417 -17.452 1.00 54.43 N ATOM 1109 CA LYS A 73 -8.711 16.804 -17.033 1.00 14.10 C ATOM 1110 C LYS A 73 -7.255 17.264 -17.141 1.00 65.14 C ATOM 1111 O LYS A 73 -6.929 18.119 -17.963 1.00 73.42 O ATOM 1112 CB LYS A 73 -9.312 16.987 -15.638 1.00 44.31 C ATOM 1113 CG LYS A 73 -10.840 16.917 -15.686 1.00 44.45 C ATOM 1114 CD LYS A 73 -11.460 17.696 -14.525 1.00 21.13 C ATOM 1115 CE LYS A 73 -12.985 17.744 -14.649 1.00 32.30 C ATOM 1116 NZ LYS A 73 -13.563 18.625 -13.611 1.00 11.51 N1+ ATOM 0 H LYS A 73 -8.775 14.738 -16.691 1.00 54.43 H new ATOM 0 HA LYS A 73 -9.298 17.443 -17.693 1.00 14.10 H new ATOM 0 HB2 LYS A 73 -8.930 16.216 -14.969 1.00 44.31 H new ATOM 0 HB3 LYS A 73 -9.001 17.948 -15.227 1.00 44.31 H new ATOM 0 HG2 LYS A 73 -11.197 17.323 -16.633 1.00 44.45 H new ATOM 0 HG3 LYS A 73 -11.162 15.876 -15.644 1.00 44.45 H new ATOM 0 HD2 LYS A 73 -11.183 17.229 -13.580 1.00 21.13 H new ATOM 0 HD3 LYS A 73 -11.061 18.710 -14.508 1.00 21.13 H new ATOM 0 HE2 LYS A 73 -13.264 18.107 -15.638 1.00 32.30 H new ATOM 0 HE3 LYS A 73 -13.395 16.739 -14.551 1.00 32.30 H new ATOM 0 HZ1 LYS A 73 -14.598 18.646 -13.710 1.00 11.51 H new ATOM 0 HZ2 LYS A 73 -13.313 18.262 -12.669 1.00 11.51 H new ATOM 0 HZ3 LYS A 73 -13.185 19.588 -13.723 1.00 11.51 H new ATOM 1129 N TYR A 74 -6.419 16.676 -16.297 1.00 0.35 N ATOM 1130 CA TYR A 74 -5.006 17.015 -16.287 1.00 13.35 C ATOM 1131 C TYR A 74 -4.490 17.259 -17.707 1.00 21.32 C ATOM 1132 O TYR A 74 -3.862 18.283 -17.975 1.00 50.24 O ATOM 1133 CB TYR A 74 -4.286 15.799 -15.699 1.00 41.13 C ATOM 1134 CG TYR A 74 -3.004 16.143 -14.938 1.00 75.44 C ATOM 1135 CD1 TYR A 74 -1.799 16.199 -15.607 1.00 53.12 C ATOM 1136 CD2 TYR A 74 -3.053 16.399 -13.582 1.00 25.24 C ATOM 1137 CE1 TYR A 74 -0.592 16.523 -14.892 1.00 44.42 C ATOM 1138 CE2 TYR A 74 -1.847 16.723 -12.866 1.00 2.04 C ATOM 1139 CZ TYR A 74 -0.675 16.770 -13.556 1.00 54.11 C ATOM 1140 OH TYR A 74 0.463 17.075 -12.880 1.00 35.30 O ATOM 0 H TYR A 74 -6.693 15.968 -15.616 1.00 0.35 H new ATOM 0 HA TYR A 74 -4.833 17.924 -15.711 1.00 13.35 H new ATOM 0 HB2 TYR A 74 -4.967 15.277 -15.026 1.00 41.13 H new ATOM 0 HB3 TYR A 74 -4.043 15.108 -16.506 1.00 41.13 H new ATOM 0 HD1 TYR A 74 -1.761 16.000 -16.668 1.00 53.12 H new ATOM 0 HD2 TYR A 74 -3.997 16.356 -13.058 1.00 25.24 H new ATOM 0 HE1 TYR A 74 0.358 16.569 -15.404 1.00 44.42 H new ATOM 0 HE2 TYR A 74 -1.872 16.924 -11.805 1.00 2.04 H new ATOM 0 HH TYR A 74 0.251 17.227 -11.935 1.00 35.30 H new ATOM 1150 N ILE A 75 -4.775 16.304 -18.579 1.00 53.34 N ATOM 1151 CA ILE A 75 -4.348 16.404 -19.964 1.00 45.04 C ATOM 1152 C ILE A 75 -5.579 16.504 -20.867 1.00 31.42 C ATOM 1153 O ILE A 75 -6.115 15.488 -21.307 1.00 1.32 O ATOM 1154 CB ILE A 75 -3.415 15.244 -20.322 1.00 12.32 C ATOM 1155 CG1 ILE A 75 -2.328 15.069 -19.261 1.00 74.51 C ATOM 1156 CG2 ILE A 75 -2.826 15.427 -21.723 1.00 35.11 C ATOM 1157 CD1 ILE A 75 -1.139 15.992 -19.535 1.00 44.21 C ATOM 0 H ILE A 75 -5.297 15.457 -18.353 1.00 53.34 H new ATOM 0 HA ILE A 75 -3.765 17.312 -20.118 1.00 45.04 H new ATOM 0 HB ILE A 75 -4.001 14.325 -20.337 1.00 12.32 H new ATOM 0 HG12 ILE A 75 -2.740 15.284 -18.275 1.00 74.51 H new ATOM 0 HG13 ILE A 75 -1.992 14.032 -19.247 1.00 74.51 H new ATOM 0 HG21 ILE A 75 -2.167 14.590 -21.953 1.00 35.11 H new ATOM 0 HG22 ILE A 75 -3.633 15.465 -22.455 1.00 35.11 H new ATOM 0 HG23 ILE A 75 -2.258 16.357 -21.760 1.00 35.11 H new ATOM 0 HD11 ILE A 75 -0.381 15.847 -18.765 1.00 44.21 H new ATOM 0 HD12 ILE A 75 -0.714 15.758 -20.511 1.00 44.21 H new ATOM 0 HD13 ILE A 75 -1.474 17.029 -19.524 1.00 44.21 H new ATOM 1169 N PRO A 76 -6.002 17.771 -21.124 1.00 61.33 N ATOM 1170 CA PRO A 76 -7.161 18.016 -21.965 1.00 71.30 C ATOM 1171 C PRO A 76 -6.823 17.794 -23.441 1.00 33.42 C ATOM 1172 O PRO A 76 -6.098 18.585 -24.042 1.00 1.33 O ATOM 1173 CB PRO A 76 -7.573 19.447 -21.660 1.00 24.03 C ATOM 1174 CG PRO A 76 -6.363 20.099 -21.012 1.00 10.34 C ATOM 1175 CD PRO A 76 -5.392 18.997 -20.620 1.00 71.25 C ATOM 0 HA PRO A 76 -7.981 17.327 -21.762 1.00 71.30 H new ATOM 0 HB2 PRO A 76 -7.860 19.973 -22.570 1.00 24.03 H new ATOM 0 HB3 PRO A 76 -8.434 19.472 -20.993 1.00 24.03 H new ATOM 0 HG2 PRO A 76 -5.890 20.796 -21.703 1.00 10.34 H new ATOM 0 HG3 PRO A 76 -6.663 20.673 -20.135 1.00 10.34 H new ATOM 0 HD2 PRO A 76 -4.408 19.160 -21.061 1.00 71.25 H new ATOM 0 HD3 PRO A 76 -5.254 18.956 -19.539 1.00 71.25 H new ATOM 1183 N GLY A 77 -7.365 16.713 -23.983 1.00 72.13 N ATOM 1184 CA GLY A 77 -7.130 16.376 -25.377 1.00 33.14 C ATOM 1185 C GLY A 77 -6.285 15.107 -25.499 1.00 34.12 C ATOM 1186 O GLY A 77 -5.817 14.770 -26.586 1.00 30.24 O ATOM 0 H GLY A 77 -7.966 16.059 -23.482 1.00 72.13 H new ATOM 0 HA2 GLY A 77 -8.083 16.233 -25.886 1.00 33.14 H new ATOM 0 HA3 GLY A 77 -6.624 17.203 -25.875 1.00 33.14 H new ATOM 1190 N THR A 78 -6.114 14.436 -24.369 1.00 72.54 N ATOM 1191 CA THR A 78 -5.333 13.211 -24.336 1.00 22.21 C ATOM 1192 C THR A 78 -6.116 12.063 -24.974 1.00 2.52 C ATOM 1193 O THR A 78 -7.280 12.226 -25.337 1.00 4.33 O ATOM 1194 CB THR A 78 -4.935 12.944 -22.883 1.00 14.31 C ATOM 1195 OG1 THR A 78 -4.071 11.812 -22.963 1.00 2.22 O ATOM 1196 CG2 THR A 78 -6.111 12.455 -22.035 1.00 64.23 C ATOM 0 H THR A 78 -6.503 14.718 -23.469 1.00 72.54 H new ATOM 0 HA THR A 78 -4.421 13.306 -24.925 1.00 22.21 H new ATOM 0 HB THR A 78 -4.525 13.854 -22.445 1.00 14.31 H new ATOM 0 HG1 THR A 78 -3.764 11.571 -22.064 1.00 2.22 H new ATOM 0 HG21 THR A 78 -5.775 12.280 -21.013 1.00 64.23 H new ATOM 0 HG22 THR A 78 -6.898 13.209 -22.034 1.00 64.23 H new ATOM 0 HG23 THR A 78 -6.499 11.526 -22.453 1.00 64.23 H new ATOM 1204 N LYS A 79 -5.447 10.925 -25.091 1.00 44.33 N ATOM 1205 CA LYS A 79 -6.065 9.750 -25.678 1.00 42.52 C ATOM 1206 C LYS A 79 -6.261 8.687 -24.595 1.00 41.14 C ATOM 1207 O LYS A 79 -7.015 7.733 -24.785 1.00 0.42 O ATOM 1208 CB LYS A 79 -5.255 9.261 -26.881 1.00 10.55 C ATOM 1209 CG LYS A 79 -4.578 10.432 -27.597 1.00 62.22 C ATOM 1210 CD LYS A 79 -4.081 10.012 -28.982 1.00 44.22 C ATOM 1211 CE LYS A 79 -2.622 9.553 -28.924 1.00 74.45 C ATOM 1212 NZ LYS A 79 -2.348 8.564 -29.990 1.00 73.00 N1+ ATOM 0 H LYS A 79 -4.482 10.793 -24.789 1.00 44.33 H new ATOM 0 HA LYS A 79 -7.053 9.995 -26.068 1.00 42.52 H new ATOM 0 HB2 LYS A 79 -4.501 8.547 -26.550 1.00 10.55 H new ATOM 0 HB3 LYS A 79 -5.910 8.735 -27.575 1.00 10.55 H new ATOM 0 HG2 LYS A 79 -5.281 11.259 -27.694 1.00 62.22 H new ATOM 0 HG3 LYS A 79 -3.741 10.793 -27.000 1.00 62.22 H new ATOM 0 HD2 LYS A 79 -4.705 9.205 -29.367 1.00 44.22 H new ATOM 0 HD3 LYS A 79 -4.176 10.848 -29.675 1.00 44.22 H new ATOM 0 HE2 LYS A 79 -1.960 10.411 -29.037 1.00 74.45 H new ATOM 0 HE3 LYS A 79 -2.411 9.114 -27.949 1.00 74.45 H new ATOM 0 HZ1 LYS A 79 -1.354 8.263 -29.937 1.00 73.00 H new ATOM 0 HZ2 LYS A 79 -2.967 7.738 -29.865 1.00 73.00 H new ATOM 0 HZ3 LYS A 79 -2.530 8.995 -30.919 1.00 73.00 H new ATOM 1225 N MET A 80 -5.567 8.886 -23.484 1.00 72.20 N ATOM 1226 CA MET A 80 -5.655 7.956 -22.371 1.00 50.41 C ATOM 1227 C MET A 80 -7.078 7.904 -21.810 1.00 72.11 C ATOM 1228 O MET A 80 -7.523 8.841 -21.148 1.00 14.12 O ATOM 1229 CB MET A 80 -4.687 8.388 -21.268 1.00 3.55 C ATOM 1230 CG MET A 80 -4.826 7.493 -20.034 1.00 30.15 C ATOM 1231 SD MET A 80 -3.401 7.684 -18.977 1.00 1.13 S ATOM 1232 CE MET A 80 -4.208 8.117 -17.445 1.00 62.42 C ATOM 0 H MET A 80 -4.942 9.677 -23.331 1.00 72.20 H new ATOM 0 HA MET A 80 -5.390 6.962 -22.731 1.00 50.41 H new ATOM 0 HB2 MET A 80 -3.663 8.344 -21.640 1.00 3.55 H new ATOM 0 HB3 MET A 80 -4.882 9.425 -20.994 1.00 3.55 H new ATOM 0 HG2 MET A 80 -5.732 7.753 -19.487 1.00 30.15 H new ATOM 0 HG3 MET A 80 -4.925 6.451 -20.339 1.00 30.15 H new ATOM 0 HE1 MET A 80 -3.472 8.512 -16.745 1.00 62.42 H new ATOM 0 HE2 MET A 80 -4.969 8.873 -17.636 1.00 62.42 H new ATOM 0 HE3 MET A 80 -4.677 7.231 -17.017 1.00 62.42 H new ATOM 1242 N ILE A 81 -7.752 6.799 -22.096 1.00 13.21 N ATOM 1243 CA ILE A 81 -9.115 6.612 -21.629 1.00 23.44 C ATOM 1244 C ILE A 81 -9.090 5.963 -20.244 1.00 45.24 C ATOM 1245 O ILE A 81 -8.990 4.742 -20.129 1.00 72.32 O ATOM 1246 CB ILE A 81 -9.932 5.832 -22.660 1.00 15.12 C ATOM 1247 CG1 ILE A 81 -10.220 6.689 -23.894 1.00 34.32 C ATOM 1248 CG2 ILE A 81 -11.214 5.276 -22.036 1.00 72.31 C ATOM 1249 CD1 ILE A 81 -11.017 7.941 -23.520 1.00 54.13 C ATOM 0 H ILE A 81 -7.379 6.025 -22.645 1.00 13.21 H new ATOM 0 HA ILE A 81 -9.617 7.574 -21.521 1.00 23.44 H new ATOM 0 HB ILE A 81 -9.339 4.980 -22.992 1.00 15.12 H new ATOM 0 HG12 ILE A 81 -9.282 6.979 -24.367 1.00 34.32 H new ATOM 0 HG13 ILE A 81 -10.778 6.104 -24.625 1.00 34.32 H new ATOM 0 HG21 ILE A 81 -11.777 4.726 -22.790 1.00 72.31 H new ATOM 0 HG22 ILE A 81 -10.958 4.607 -21.214 1.00 72.31 H new ATOM 0 HG23 ILE A 81 -11.821 6.099 -21.659 1.00 72.31 H new ATOM 0 HD11 ILE A 81 -11.208 8.532 -24.416 1.00 54.13 H new ATOM 0 HD12 ILE A 81 -11.965 7.648 -23.070 1.00 54.13 H new ATOM 0 HD13 ILE A 81 -10.446 8.536 -22.807 1.00 54.13 H new ATOM 1261 N PHE A 82 -9.183 6.807 -19.228 1.00 75.01 N ATOM 1262 CA PHE A 82 -9.172 6.330 -17.855 1.00 45.32 C ATOM 1263 C PHE A 82 -10.022 7.230 -16.955 1.00 15.33 C ATOM 1264 O PHE A 82 -9.694 8.398 -16.752 1.00 42.22 O ATOM 1265 CB PHE A 82 -7.720 6.376 -17.376 1.00 14.43 C ATOM 1266 CG PHE A 82 -7.459 5.572 -16.101 1.00 45.43 C ATOM 1267 CD1 PHE A 82 -7.778 4.251 -16.053 1.00 11.34 C ATOM 1268 CD2 PHE A 82 -6.908 6.178 -15.015 1.00 71.04 C ATOM 1269 CE1 PHE A 82 -7.535 3.505 -14.869 1.00 13.13 C ATOM 1270 CE2 PHE A 82 -6.666 5.433 -13.832 1.00 71.25 C ATOM 1271 CZ PHE A 82 -6.985 4.111 -13.784 1.00 22.42 C ATOM 0 H PHE A 82 -9.266 7.819 -19.327 1.00 75.01 H new ATOM 0 HA PHE A 82 -9.584 5.322 -17.809 1.00 45.32 H new ATOM 0 HB2 PHE A 82 -7.075 5.999 -18.169 1.00 14.43 H new ATOM 0 HB3 PHE A 82 -7.438 7.415 -17.202 1.00 14.43 H new ATOM 0 HD1 PHE A 82 -8.216 3.769 -16.915 1.00 11.34 H new ATOM 0 HD2 PHE A 82 -6.655 7.227 -15.053 1.00 71.04 H new ATOM 0 HE1 PHE A 82 -7.787 2.456 -14.831 1.00 13.13 H new ATOM 0 HE2 PHE A 82 -6.229 5.915 -12.970 1.00 71.25 H new ATOM 0 HZ PHE A 82 -6.801 3.543 -12.884 1.00 22.42 H new ATOM 1281 N VAL A 83 -11.097 6.652 -16.441 1.00 43.41 N ATOM 1282 CA VAL A 83 -11.997 7.387 -15.567 1.00 44.03 C ATOM 1283 C VAL A 83 -11.212 7.922 -14.368 1.00 4.21 C ATOM 1284 O VAL A 83 -11.667 8.835 -13.682 1.00 54.11 O ATOM 1285 CB VAL A 83 -13.175 6.498 -15.163 1.00 25.21 C ATOM 1286 CG1 VAL A 83 -12.760 5.494 -14.086 1.00 45.31 C ATOM 1287 CG2 VAL A 83 -14.363 7.343 -14.698 1.00 35.41 C ATOM 0 H VAL A 83 -11.366 5.683 -16.613 1.00 43.41 H new ATOM 0 HA VAL A 83 -12.419 8.246 -16.088 1.00 44.03 H new ATOM 0 HB VAL A 83 -13.488 5.934 -16.042 1.00 25.21 H new ATOM 0 HG11 VAL A 83 -13.616 4.875 -13.817 1.00 45.31 H new ATOM 0 HG12 VAL A 83 -11.959 4.861 -14.468 1.00 45.31 H new ATOM 0 HG13 VAL A 83 -12.409 6.030 -13.204 1.00 45.31 H new ATOM 0 HG21 VAL A 83 -15.187 6.688 -14.416 1.00 35.41 H new ATOM 0 HG22 VAL A 83 -14.067 7.944 -13.838 1.00 35.41 H new ATOM 0 HG23 VAL A 83 -14.682 8.000 -15.508 1.00 35.41 H new ATOM 1297 N GLY A 84 -10.046 7.331 -14.153 1.00 4.04 N ATOM 1298 CA GLY A 84 -9.194 7.737 -13.049 1.00 52.24 C ATOM 1299 C GLY A 84 -9.477 6.899 -11.801 1.00 70.24 C ATOM 1300 O GLY A 84 -10.161 5.879 -11.875 1.00 15.11 O ATOM 0 H GLY A 84 -9.671 6.574 -14.725 1.00 4.04 H new ATOM 0 HA2 GLY A 84 -8.147 7.629 -13.334 1.00 52.24 H new ATOM 0 HA3 GLY A 84 -9.357 8.792 -12.828 1.00 52.24 H new ATOM 1304 N ILE A 85 -8.935 7.359 -10.683 1.00 33.41 N ATOM 1305 CA ILE A 85 -9.121 6.665 -9.419 1.00 44.34 C ATOM 1306 C ILE A 85 -9.276 7.691 -8.295 1.00 34.42 C ATOM 1307 O ILE A 85 -8.390 8.516 -8.078 1.00 13.31 O ATOM 1308 CB ILE A 85 -7.987 5.664 -9.187 1.00 61.04 C ATOM 1309 CG1 ILE A 85 -7.852 4.704 -10.371 1.00 21.04 C ATOM 1310 CG2 ILE A 85 -8.177 4.918 -7.863 1.00 53.31 C ATOM 1311 CD1 ILE A 85 -6.621 3.809 -10.213 1.00 62.43 C ATOM 0 H ILE A 85 -8.367 8.204 -10.626 1.00 33.41 H new ATOM 0 HA ILE A 85 -10.037 6.075 -9.439 1.00 44.34 H new ATOM 0 HB ILE A 85 -7.051 6.218 -9.114 1.00 61.04 H new ATOM 0 HG12 ILE A 85 -8.747 4.087 -10.448 1.00 21.04 H new ATOM 0 HG13 ILE A 85 -7.776 5.272 -11.298 1.00 21.04 H new ATOM 0 HG21 ILE A 85 -7.358 4.213 -7.722 1.00 53.31 H new ATOM 0 HG22 ILE A 85 -8.186 5.633 -7.040 1.00 53.31 H new ATOM 0 HG23 ILE A 85 -9.123 4.376 -7.883 1.00 53.31 H new ATOM 0 HD11 ILE A 85 -6.548 3.136 -11.068 1.00 62.43 H new ATOM 0 HD12 ILE A 85 -5.725 4.428 -10.161 1.00 62.43 H new ATOM 0 HD13 ILE A 85 -6.711 3.224 -9.298 1.00 62.43 H new ATOM 1323 N LYS A 86 -10.408 7.606 -7.612 1.00 65.04 N ATOM 1324 CA LYS A 86 -10.690 8.517 -6.516 1.00 4.54 C ATOM 1325 C LYS A 86 -9.905 8.078 -5.278 1.00 23.40 C ATOM 1326 O LYS A 86 -9.117 8.848 -4.732 1.00 42.24 O ATOM 1327 CB LYS A 86 -12.197 8.624 -6.282 1.00 51.42 C ATOM 1328 CG LYS A 86 -12.882 9.358 -7.437 1.00 2.32 C ATOM 1329 CD LYS A 86 -12.977 8.465 -8.675 1.00 43.02 C ATOM 1330 CE LYS A 86 -14.165 8.867 -9.551 1.00 63.30 C ATOM 1331 NZ LYS A 86 -13.948 10.210 -10.134 1.00 13.13 N1+ ATOM 0 H LYS A 86 -11.140 6.920 -7.796 1.00 65.04 H new ATOM 0 HA LYS A 86 -10.357 9.525 -6.764 1.00 4.54 H new ATOM 0 HB2 LYS A 86 -12.624 7.627 -6.177 1.00 51.42 H new ATOM 0 HB3 LYS A 86 -12.387 9.152 -5.348 1.00 51.42 H new ATOM 0 HG2 LYS A 86 -13.881 9.671 -7.132 1.00 2.32 H new ATOM 0 HG3 LYS A 86 -12.325 10.263 -7.679 1.00 2.32 H new ATOM 0 HD2 LYS A 86 -12.055 8.537 -9.251 1.00 43.02 H new ATOM 0 HD3 LYS A 86 -13.082 7.424 -8.370 1.00 43.02 H new ATOM 0 HE2 LYS A 86 -14.301 8.136 -10.348 1.00 63.30 H new ATOM 0 HE3 LYS A 86 -15.079 8.865 -8.957 1.00 63.30 H new ATOM 0 HZ1 LYS A 86 -14.740 10.446 -10.766 1.00 13.13 H new ATOM 0 HZ2 LYS A 86 -13.892 10.915 -9.371 1.00 13.13 H new ATOM 0 HZ3 LYS A 86 -13.060 10.214 -10.675 1.00 13.13 H new ATOM 1344 N LYS A 87 -10.148 6.840 -4.871 1.00 14.22 N ATOM 1345 CA LYS A 87 -9.474 6.290 -3.708 1.00 74.32 C ATOM 1346 C LYS A 87 -7.961 6.345 -3.927 1.00 52.11 C ATOM 1347 O LYS A 87 -7.488 6.213 -5.055 1.00 61.33 O ATOM 1348 CB LYS A 87 -9.999 4.886 -3.399 1.00 24.34 C ATOM 1349 CG LYS A 87 -11.506 4.913 -3.128 1.00 3.32 C ATOM 1350 CD LYS A 87 -12.143 3.559 -3.447 1.00 34.24 C ATOM 1351 CE LYS A 87 -13.654 3.697 -3.646 1.00 64.11 C ATOM 1352 NZ LYS A 87 -14.226 2.437 -4.169 1.00 73.24 N1+ ATOM 0 H LYS A 87 -10.802 6.203 -5.326 1.00 14.22 H new ATOM 0 HA LYS A 87 -9.691 6.889 -2.824 1.00 74.32 H new ATOM 0 HB2 LYS A 87 -9.788 4.222 -4.237 1.00 24.34 H new ATOM 0 HB3 LYS A 87 -9.477 4.481 -2.532 1.00 24.34 H new ATOM 0 HG2 LYS A 87 -11.687 5.167 -2.084 1.00 3.32 H new ATOM 0 HG3 LYS A 87 -11.974 5.691 -3.731 1.00 3.32 H new ATOM 0 HD2 LYS A 87 -11.691 3.143 -4.347 1.00 34.24 H new ATOM 0 HD3 LYS A 87 -11.942 2.858 -2.637 1.00 34.24 H new ATOM 0 HE2 LYS A 87 -14.129 3.953 -2.699 1.00 64.11 H new ATOM 0 HE3 LYS A 87 -13.862 4.513 -4.338 1.00 64.11 H new ATOM 0 HZ1 LYS A 87 -15.252 2.549 -4.298 1.00 73.24 H new ATOM 0 HZ2 LYS A 87 -13.785 2.209 -5.083 1.00 73.24 H new ATOM 0 HZ3 LYS A 87 -14.044 1.667 -3.494 1.00 73.24 H new ATOM 1365 N LYS A 88 -7.243 6.538 -2.830 1.00 3.10 N ATOM 1366 CA LYS A 88 -5.793 6.612 -2.888 1.00 50.44 C ATOM 1367 C LYS A 88 -5.211 5.200 -2.814 1.00 62.35 C ATOM 1368 O LYS A 88 -4.445 4.794 -3.686 1.00 5.43 O ATOM 1369 CB LYS A 88 -5.261 7.555 -1.806 1.00 32.15 C ATOM 1370 CG LYS A 88 -5.828 8.965 -1.981 1.00 53.14 C ATOM 1371 CD LYS A 88 -7.318 9.003 -1.637 1.00 21.14 C ATOM 1372 CE LYS A 88 -7.739 10.399 -1.172 1.00 11.43 C ATOM 1373 NZ LYS A 88 -9.055 10.346 -0.497 1.00 32.04 N1+ ATOM 0 H LYS A 88 -7.639 6.645 -1.896 1.00 3.10 H new ATOM 0 HA LYS A 88 -5.471 7.040 -3.837 1.00 50.44 H new ATOM 0 HB2 LYS A 88 -5.528 7.172 -0.821 1.00 32.15 H new ATOM 0 HB3 LYS A 88 -4.172 7.589 -1.851 1.00 32.15 H new ATOM 0 HG2 LYS A 88 -5.286 9.661 -1.341 1.00 53.14 H new ATOM 0 HG3 LYS A 88 -5.680 9.295 -3.009 1.00 53.14 H new ATOM 0 HD2 LYS A 88 -7.904 8.715 -2.510 1.00 21.14 H new ATOM 0 HD3 LYS A 88 -7.533 8.275 -0.855 1.00 21.14 H new ATOM 0 HE2 LYS A 88 -6.990 10.803 -0.491 1.00 11.43 H new ATOM 0 HE3 LYS A 88 -7.789 11.074 -2.027 1.00 11.43 H new ATOM 0 HZ1 LYS A 88 -9.325 11.302 -0.188 1.00 32.04 H new ATOM 0 HZ2 LYS A 88 -9.770 9.981 -1.158 1.00 32.04 H new ATOM 0 HZ3 LYS A 88 -8.996 9.718 0.330 1.00 32.04 H new ATOM 1386 N GLU A 89 -5.597 4.490 -1.764 1.00 24.00 N ATOM 1387 CA GLU A 89 -5.123 3.131 -1.565 1.00 53.30 C ATOM 1388 C GLU A 89 -5.024 2.400 -2.905 1.00 33.12 C ATOM 1389 O GLU A 89 -4.172 1.532 -3.082 1.00 21.33 O ATOM 1390 CB GLU A 89 -6.028 2.372 -0.593 1.00 23.22 C ATOM 1391 CG GLU A 89 -5.233 1.334 0.201 1.00 22.23 C ATOM 1392 CD GLU A 89 -6.047 0.053 0.401 1.00 40.42 C ATOM 1393 OE1 GLU A 89 -6.360 -0.311 1.544 1.00 70.43 O ATOM 1394 OE2 GLU A 89 -6.355 -0.571 -0.686 1.00 40.44 O1- ATOM 0 H GLU A 89 -6.232 4.830 -1.042 1.00 24.00 H new ATOM 0 HA GLU A 89 -4.127 3.176 -1.124 1.00 53.30 H new ATOM 0 HB2 GLU A 89 -6.501 3.075 0.093 1.00 23.22 H new ATOM 0 HB3 GLU A 89 -6.827 1.878 -1.145 1.00 23.22 H new ATOM 0 HG2 GLU A 89 -4.306 1.102 -0.324 1.00 22.23 H new ATOM 0 HG3 GLU A 89 -4.955 1.747 1.171 1.00 22.23 H new ATOM 1402 N GLU A 90 -5.909 2.781 -3.816 1.00 72.24 N ATOM 1403 CA GLU A 90 -5.932 2.173 -5.136 1.00 0.45 C ATOM 1404 C GLU A 90 -4.708 2.610 -5.943 1.00 42.01 C ATOM 1405 O GLU A 90 -3.716 1.886 -6.016 1.00 73.10 O ATOM 1406 CB GLU A 90 -7.226 2.516 -5.875 1.00 22.42 C ATOM 1407 CG GLU A 90 -8.329 1.506 -5.546 1.00 43.23 C ATOM 1408 CD GLU A 90 -8.445 1.295 -4.035 1.00 20.55 C ATOM 1409 OE1 GLU A 90 -7.740 0.444 -3.472 1.00 5.43 O ATOM 1410 OE2 GLU A 90 -9.306 2.052 -3.444 1.00 12.21 O1- ATOM 0 H GLU A 90 -6.614 3.502 -3.666 1.00 72.24 H new ATOM 0 HA GLU A 90 -5.897 1.090 -5.016 1.00 0.45 H new ATOM 0 HB2 GLU A 90 -7.552 3.519 -5.599 1.00 22.42 H new ATOM 0 HB3 GLU A 90 -7.044 2.524 -6.950 1.00 22.42 H new ATOM 0 HG2 GLU A 90 -9.281 1.860 -5.942 1.00 43.23 H new ATOM 0 HG3 GLU A 90 -8.114 0.555 -6.034 1.00 43.23 H new ATOM 1418 N ARG A 91 -4.817 3.794 -6.529 1.00 31.04 N ATOM 1419 CA ARG A 91 -3.731 4.336 -7.329 1.00 55.13 C ATOM 1420 C ARG A 91 -2.466 4.476 -6.480 1.00 34.33 C ATOM 1421 O ARG A 91 -1.399 4.004 -6.869 1.00 24.42 O ATOM 1422 CB ARG A 91 -4.104 5.703 -7.907 1.00 21.11 C ATOM 1423 CG ARG A 91 -4.456 6.691 -6.793 1.00 71.31 C ATOM 1424 CD ARG A 91 -5.179 7.916 -7.357 1.00 2.23 C ATOM 1425 NE ARG A 91 -4.851 9.114 -6.550 1.00 24.12 N ATOM 1426 CZ ARG A 91 -5.557 9.516 -5.473 1.00 72.21 C ATOM 1427 NH1 ARG A 91 -6.638 8.821 -5.063 1.00 52.41 N ATOM 1428 NH2 ARG A 91 -5.174 10.601 -4.826 1.00 72.51 N1+ ATOM 0 H ARG A 91 -5.640 4.393 -6.466 1.00 31.04 H new ATOM 0 HA ARG A 91 -3.546 3.645 -8.151 1.00 55.13 H new ATOM 0 HB2 ARG A 91 -3.273 6.093 -8.494 1.00 21.11 H new ATOM 0 HB3 ARG A 91 -4.951 5.597 -8.585 1.00 21.11 H new ATOM 0 HG2 ARG A 91 -5.087 6.200 -6.052 1.00 71.31 H new ATOM 0 HG3 ARG A 91 -3.547 7.005 -6.279 1.00 71.31 H new ATOM 0 HD2 ARG A 91 -4.886 8.075 -8.395 1.00 2.23 H new ATOM 0 HD3 ARG A 91 -6.256 7.747 -7.352 1.00 2.23 H new ATOM 0 HE ARG A 91 -4.041 9.669 -6.826 1.00 24.12 H new ATOM 0 HH11 ARG A 91 -6.928 7.984 -5.568 1.00 52.41 H new ATOM 0 HH12 ARG A 91 -7.166 9.133 -4.248 1.00 52.41 H new ATOM 0 HH21 ARG A 91 -4.356 11.121 -5.142 1.00 72.51 H new ATOM 0 HH22 ARG A 91 -5.696 10.919 -4.010 1.00 72.51 H new ATOM 1441 N ALA A 92 -2.627 5.125 -5.337 1.00 44.03 N ATOM 1442 CA ALA A 92 -1.511 5.334 -4.431 1.00 4.24 C ATOM 1443 C ALA A 92 -0.666 4.060 -4.369 1.00 44.10 C ATOM 1444 O ALA A 92 0.552 4.125 -4.204 1.00 25.42 O ATOM 1445 CB ALA A 92 -2.040 5.749 -3.056 1.00 24.15 C ATOM 0 H ALA A 92 -3.514 5.513 -5.017 1.00 44.03 H new ATOM 0 HA ALA A 92 -0.870 6.139 -4.791 1.00 4.24 H new ATOM 0 HB1 ALA A 92 -1.203 5.906 -2.376 1.00 24.15 H new ATOM 0 HB2 ALA A 92 -2.610 6.674 -3.149 1.00 24.15 H new ATOM 0 HB3 ALA A 92 -2.685 4.964 -2.662 1.00 24.15 H new ATOM 1451 N ASP A 93 -1.344 2.930 -4.503 1.00 13.32 N ATOM 1452 CA ASP A 93 -0.671 1.643 -4.466 1.00 41.32 C ATOM 1453 C ASP A 93 -0.202 1.276 -5.875 1.00 30.23 C ATOM 1454 O ASP A 93 0.927 0.823 -6.058 1.00 20.11 O ATOM 1455 CB ASP A 93 -1.616 0.542 -3.980 1.00 51.12 C ATOM 1456 CG ASP A 93 -1.806 0.473 -2.464 1.00 14.42 C ATOM 1457 OD1 ASP A 93 -2.093 -0.594 -1.903 1.00 11.21 O ATOM 1458 OD2 ASP A 93 -1.644 1.594 -1.843 1.00 61.21 O1- ATOM 0 H ASP A 93 -2.354 2.879 -4.638 1.00 13.32 H new ATOM 0 HA ASP A 93 0.173 1.723 -3.781 1.00 41.32 H new ATOM 0 HB2 ASP A 93 -2.590 0.689 -4.446 1.00 51.12 H new ATOM 0 HB3 ASP A 93 -1.238 -0.419 -4.327 1.00 51.12 H new ATOM 1464 N LEU A 94 -1.091 1.486 -6.833 1.00 1.20 N ATOM 1465 CA LEU A 94 -0.781 1.183 -8.221 1.00 74.05 C ATOM 1466 C LEU A 94 0.577 1.787 -8.580 1.00 42.32 C ATOM 1467 O LEU A 94 1.280 1.272 -9.446 1.00 60.31 O ATOM 1468 CB LEU A 94 -1.919 1.641 -9.136 1.00 54.11 C ATOM 1469 CG LEU A 94 -1.765 1.298 -10.619 1.00 72.20 C ATOM 1470 CD1 LEU A 94 -1.329 -0.156 -10.804 1.00 35.13 C ATOM 1471 CD2 LEU A 94 -3.049 1.614 -11.390 1.00 30.44 C ATOM 0 H LEU A 94 -2.026 1.862 -6.677 1.00 1.20 H new ATOM 0 HA LEU A 94 -0.699 0.106 -8.366 1.00 74.05 H new ATOM 0 HB2 LEU A 94 -2.848 1.200 -8.776 1.00 54.11 H new ATOM 0 HB3 LEU A 94 -2.022 2.722 -9.042 1.00 54.11 H new ATOM 0 HG LEU A 94 -0.976 1.925 -11.034 1.00 72.20 H new ATOM 0 HD11 LEU A 94 -1.227 -0.373 -11.867 1.00 35.13 H new ATOM 0 HD12 LEU A 94 -0.371 -0.315 -10.308 1.00 35.13 H new ATOM 0 HD13 LEU A 94 -2.077 -0.818 -10.369 1.00 35.13 H new ATOM 0 HD21 LEU A 94 -2.913 1.361 -12.442 1.00 30.44 H new ATOM 0 HD22 LEU A 94 -3.873 1.030 -10.980 1.00 30.44 H new ATOM 0 HD23 LEU A 94 -3.276 2.676 -11.299 1.00 30.44 H new ATOM 1483 N ILE A 95 0.907 2.872 -7.893 1.00 14.42 N ATOM 1484 CA ILE A 95 2.169 3.552 -8.129 1.00 64.13 C ATOM 1485 C ILE A 95 3.305 2.740 -7.504 1.00 4.02 C ATOM 1486 O ILE A 95 4.364 2.581 -8.108 1.00 25.25 O ATOM 1487 CB ILE A 95 2.100 4.998 -7.632 1.00 34.32 C ATOM 1488 CG1 ILE A 95 0.916 5.737 -8.258 1.00 4.41 C ATOM 1489 CG2 ILE A 95 3.424 5.725 -7.875 1.00 33.12 C ATOM 1490 CD1 ILE A 95 0.740 7.121 -7.630 1.00 42.01 C ATOM 0 H ILE A 95 0.322 3.296 -7.173 1.00 14.42 H new ATOM 0 HA ILE A 95 2.373 3.617 -9.198 1.00 64.13 H new ATOM 0 HB ILE A 95 1.935 4.982 -6.555 1.00 34.32 H new ATOM 0 HG12 ILE A 95 1.072 5.838 -9.332 1.00 4.41 H new ATOM 0 HG13 ILE A 95 0.005 5.153 -8.122 1.00 4.41 H new ATOM 0 HG21 ILE A 95 3.348 6.750 -7.513 1.00 33.12 H new ATOM 0 HG22 ILE A 95 4.224 5.211 -7.343 1.00 33.12 H new ATOM 0 HG23 ILE A 95 3.644 5.733 -8.942 1.00 33.12 H new ATOM 0 HD11 ILE A 95 -0.108 7.625 -8.093 1.00 42.01 H new ATOM 0 HD12 ILE A 95 0.560 7.015 -6.560 1.00 42.01 H new ATOM 0 HD13 ILE A 95 1.643 7.710 -7.789 1.00 42.01 H new ATOM 1502 N ALA A 96 3.045 2.249 -6.300 1.00 33.14 N ATOM 1503 CA ALA A 96 4.032 1.458 -5.587 1.00 12.15 C ATOM 1504 C ALA A 96 4.596 0.387 -6.524 1.00 53.11 C ATOM 1505 O ALA A 96 5.810 0.273 -6.684 1.00 25.00 O ATOM 1506 CB ALA A 96 3.396 0.858 -4.331 1.00 44.52 C ATOM 0 H ALA A 96 2.165 2.384 -5.802 1.00 33.14 H new ATOM 0 HA ALA A 96 4.864 2.084 -5.264 1.00 12.15 H new ATOM 0 HB1 ALA A 96 4.137 0.264 -3.796 1.00 44.52 H new ATOM 0 HB2 ALA A 96 3.039 1.660 -3.685 1.00 44.52 H new ATOM 0 HB3 ALA A 96 2.558 0.222 -4.616 1.00 44.52 H new ATOM 1512 N TYR A 97 3.687 -0.372 -7.117 1.00 1.44 N ATOM 1513 CA TYR A 97 4.077 -1.430 -8.034 1.00 62.31 C ATOM 1514 C TYR A 97 5.046 -0.905 -9.095 1.00 21.40 C ATOM 1515 O TYR A 97 6.046 -1.553 -9.402 1.00 22.13 O ATOM 1516 CB TYR A 97 2.789 -1.890 -8.719 1.00 54.22 C ATOM 1517 CG TYR A 97 3.013 -2.564 -10.075 1.00 33.23 C ATOM 1518 CD1 TYR A 97 3.636 -3.794 -10.140 1.00 70.44 C ATOM 1519 CD2 TYR A 97 2.592 -1.941 -11.233 1.00 73.34 C ATOM 1520 CE1 TYR A 97 3.845 -4.427 -11.416 1.00 61.32 C ATOM 1521 CE2 TYR A 97 2.802 -2.575 -12.508 1.00 72.22 C ATOM 1522 CZ TYR A 97 3.419 -3.786 -12.537 1.00 14.22 C ATOM 1523 OH TYR A 97 3.617 -4.385 -13.742 1.00 3.20 O ATOM 0 H TYR A 97 2.681 -0.276 -6.981 1.00 1.44 H new ATOM 0 HA TYR A 97 4.577 -2.237 -7.499 1.00 62.31 H new ATOM 0 HB2 TYR A 97 2.268 -2.585 -8.061 1.00 54.22 H new ATOM 0 HB3 TYR A 97 2.135 -1.029 -8.856 1.00 54.22 H new ATOM 0 HD1 TYR A 97 3.966 -4.281 -9.234 1.00 70.44 H new ATOM 0 HD2 TYR A 97 2.105 -0.978 -11.182 1.00 73.34 H new ATOM 0 HE1 TYR A 97 4.330 -5.390 -11.481 1.00 61.32 H new ATOM 0 HE2 TYR A 97 2.477 -2.099 -13.421 1.00 72.22 H new ATOM 0 HH TYR A 97 3.261 -3.813 -14.454 1.00 3.20 H new ATOM 1533 N LEU A 98 4.717 0.263 -9.627 1.00 55.30 N ATOM 1534 CA LEU A 98 5.546 0.881 -10.647 1.00 10.43 C ATOM 1535 C LEU A 98 6.944 1.133 -10.079 1.00 50.54 C ATOM 1536 O LEU A 98 7.938 1.012 -10.792 1.00 71.33 O ATOM 1537 CB LEU A 98 4.870 2.139 -11.196 1.00 25.13 C ATOM 1538 CG LEU A 98 3.498 1.936 -11.840 1.00 4.11 C ATOM 1539 CD1 LEU A 98 2.779 3.273 -12.035 1.00 43.25 C ATOM 1540 CD2 LEU A 98 3.616 1.154 -13.150 1.00 11.03 C ATOM 0 H LEU A 98 3.887 0.798 -9.370 1.00 55.30 H new ATOM 0 HA LEU A 98 5.664 0.212 -11.499 1.00 10.43 H new ATOM 0 HB2 LEU A 98 4.765 2.856 -10.381 1.00 25.13 H new ATOM 0 HB3 LEU A 98 5.533 2.591 -11.934 1.00 25.13 H new ATOM 0 HG LEU A 98 2.889 1.338 -11.161 1.00 4.11 H new ATOM 0 HD11 LEU A 98 1.806 3.099 -12.495 1.00 43.25 H new ATOM 0 HD12 LEU A 98 2.642 3.757 -11.068 1.00 43.25 H new ATOM 0 HD13 LEU A 98 3.376 3.916 -12.681 1.00 43.25 H new ATOM 0 HD21 LEU A 98 2.626 1.024 -13.587 1.00 11.03 H new ATOM 0 HD22 LEU A 98 4.250 1.703 -13.846 1.00 11.03 H new ATOM 0 HD23 LEU A 98 4.056 0.177 -12.952 1.00 11.03 H new ATOM 1552 N LYS A 99 6.975 1.479 -8.800 1.00 73.11 N ATOM 1553 CA LYS A 99 8.235 1.749 -8.128 1.00 1.31 C ATOM 1554 C LYS A 99 9.048 0.455 -8.039 1.00 71.25 C ATOM 1555 O LYS A 99 10.236 0.485 -7.725 1.00 53.02 O ATOM 1556 CB LYS A 99 7.987 2.413 -6.772 1.00 31.34 C ATOM 1557 CG LYS A 99 7.974 3.937 -6.903 1.00 15.41 C ATOM 1558 CD LYS A 99 6.575 4.445 -7.258 1.00 1.10 C ATOM 1559 CE LYS A 99 6.343 5.849 -6.696 1.00 13.50 C ATOM 1560 NZ LYS A 99 5.764 5.773 -5.335 1.00 12.44 N1+ ATOM 0 H LYS A 99 6.148 1.579 -8.212 1.00 73.11 H new ATOM 0 HA LYS A 99 8.828 2.460 -8.702 1.00 1.31 H new ATOM 0 HB2 LYS A 99 7.036 2.071 -6.364 1.00 31.34 H new ATOM 0 HB3 LYS A 99 8.763 2.111 -6.068 1.00 31.34 H new ATOM 0 HG2 LYS A 99 8.302 4.389 -5.967 1.00 15.41 H new ATOM 0 HG3 LYS A 99 8.683 4.246 -7.672 1.00 15.41 H new ATOM 0 HD2 LYS A 99 6.453 4.458 -8.341 1.00 1.10 H new ATOM 0 HD3 LYS A 99 5.824 3.762 -6.861 1.00 1.10 H new ATOM 0 HE2 LYS A 99 7.285 6.396 -6.667 1.00 13.50 H new ATOM 0 HE3 LYS A 99 5.673 6.404 -7.352 1.00 13.50 H new ATOM 0 HZ1 LYS A 99 4.765 6.062 -5.366 1.00 12.44 H new ATOM 0 HZ2 LYS A 99 5.831 4.797 -4.983 1.00 12.44 H new ATOM 0 HZ3 LYS A 99 6.288 6.407 -4.699 1.00 12.44 H new ATOM 1573 N LYS A 100 8.374 -0.650 -8.323 1.00 63.15 N ATOM 1574 CA LYS A 100 9.020 -1.952 -8.279 1.00 72.41 C ATOM 1575 C LYS A 100 8.996 -2.574 -9.676 1.00 64.54 C ATOM 1576 O LYS A 100 9.589 -3.628 -9.901 1.00 30.00 O ATOM 1577 CB LYS A 100 8.378 -2.831 -7.204 1.00 4.54 C ATOM 1578 CG LYS A 100 8.159 -2.044 -5.910 1.00 42.24 C ATOM 1579 CD LYS A 100 9.478 -1.837 -5.163 1.00 15.32 C ATOM 1580 CE LYS A 100 9.231 -1.582 -3.675 1.00 64.41 C ATOM 1581 NZ LYS A 100 10.515 -1.431 -2.955 1.00 13.11 N1+ ATOM 0 H LYS A 100 7.388 -0.671 -8.584 1.00 63.15 H new ATOM 0 HA LYS A 100 10.067 -1.850 -7.992 1.00 72.41 H new ATOM 0 HB2 LYS A 100 7.424 -3.216 -7.566 1.00 4.54 H new ATOM 0 HB3 LYS A 100 9.015 -3.693 -7.006 1.00 4.54 H new ATOM 0 HG2 LYS A 100 7.712 -1.077 -6.140 1.00 42.24 H new ATOM 0 HG3 LYS A 100 7.455 -2.577 -5.271 1.00 42.24 H new ATOM 0 HD2 LYS A 100 10.111 -2.716 -5.285 1.00 15.32 H new ATOM 0 HD3 LYS A 100 10.017 -0.994 -5.596 1.00 15.32 H new ATOM 0 HE2 LYS A 100 8.629 -0.682 -3.549 1.00 64.41 H new ATOM 0 HE3 LYS A 100 8.663 -2.408 -3.248 1.00 64.41 H new ATOM 0 HZ1 LYS A 100 10.329 -1.259 -1.946 1.00 13.11 H new ATOM 0 HZ2 LYS A 100 11.076 -2.300 -3.060 1.00 13.11 H new ATOM 0 HZ3 LYS A 100 11.043 -0.628 -3.352 1.00 13.11 H new ATOM 1594 N ALA A 101 8.306 -1.895 -10.581 1.00 71.41 N ATOM 1595 CA ALA A 101 8.198 -2.368 -11.950 1.00 62.32 C ATOM 1596 C ALA A 101 9.151 -1.565 -12.839 1.00 15.30 C ATOM 1597 O ALA A 101 10.206 -2.062 -13.232 1.00 73.54 O ATOM 1598 CB ALA A 101 6.744 -2.265 -12.414 1.00 63.13 C ATOM 0 H ALA A 101 7.816 -1.021 -10.392 1.00 71.41 H new ATOM 0 HA ALA A 101 8.488 -3.417 -12.017 1.00 62.32 H new ATOM 0 HB1 ALA A 101 6.664 -2.620 -13.441 1.00 63.13 H new ATOM 0 HB2 ALA A 101 6.112 -2.875 -11.769 1.00 63.13 H new ATOM 0 HB3 ALA A 101 6.418 -1.226 -12.363 1.00 63.13 H new ATOM 1604 N THR A 102 8.745 -0.338 -13.130 1.00 2.02 N ATOM 1605 CA THR A 102 9.550 0.538 -13.964 1.00 71.34 C ATOM 1606 C THR A 102 10.884 0.846 -13.284 1.00 12.43 C ATOM 1607 O THR A 102 11.796 1.385 -13.910 1.00 41.24 O ATOM 1608 CB THR A 102 8.722 1.787 -14.275 1.00 15.35 C ATOM 1609 OG1 THR A 102 9.677 2.723 -14.766 1.00 54.52 O ATOM 1610 CG2 THR A 102 8.167 2.449 -13.011 1.00 62.44 C ATOM 0 H THR A 102 7.869 0.070 -12.803 1.00 2.02 H new ATOM 0 HA THR A 102 9.807 0.058 -14.908 1.00 71.34 H new ATOM 0 HB THR A 102 7.899 1.522 -14.938 1.00 15.35 H new ATOM 0 HG1 THR A 102 10.552 2.288 -14.842 1.00 54.52 H new ATOM 0 HG21 THR A 102 7.587 3.330 -13.286 1.00 62.44 H new ATOM 0 HG22 THR A 102 7.526 1.744 -12.482 1.00 62.44 H new ATOM 0 HG23 THR A 102 8.992 2.745 -12.363 1.00 62.44 H new ATOM 1618 N ASN A 103 10.957 0.492 -12.009 1.00 4.21 N ATOM 1619 CA ASN A 103 12.165 0.725 -11.236 1.00 22.31 C ATOM 1620 C ASN A 103 13.164 -0.402 -11.507 1.00 72.30 C ATOM 1621 O ASN A 103 14.354 -0.152 -11.690 1.00 23.40 O ATOM 1622 CB ASN A 103 11.864 0.739 -9.736 1.00 0.14 C ATOM 1623 CG ASN A 103 13.106 1.130 -8.932 1.00 54.24 C ATOM 1624 OD1 ASN A 103 13.820 0.298 -8.398 1.00 3.22 O ATOM 1625 ND2 ASN A 103 13.321 2.442 -8.875 1.00 60.01 N ATOM 0 H ASN A 103 10.199 0.046 -11.492 1.00 4.21 H new ATOM 0 HA ASN A 103 12.574 1.691 -11.531 1.00 22.31 H new ATOM 0 HB2 ASN A 103 11.057 1.442 -9.530 1.00 0.14 H new ATOM 0 HB3 ASN A 103 11.518 -0.246 -9.422 1.00 0.14 H new ATOM 0 HD21 ASN A 103 14.124 2.805 -8.361 1.00 60.01 H new ATOM 0 HD22 ASN A 103 12.683 3.084 -9.345 1.00 60.01 H new ATOM 1632 N GLU A 104 12.643 -1.620 -11.525 1.00 33.11 N ATOM 1633 CA GLU A 104 13.474 -2.786 -11.771 1.00 43.24 C ATOM 1634 C GLU A 104 13.640 -3.013 -13.275 1.00 2.51 C ATOM 1635 O GLU A 104 14.740 -3.297 -13.746 1.00 22.34 O ATOM 1636 CB GLU A 104 12.891 -4.028 -11.091 1.00 32.13 C ATOM 1637 CG GLU A 104 11.683 -4.560 -11.864 1.00 20.34 C ATOM 1638 CD GLU A 104 11.132 -5.830 -11.214 1.00 3.30 C ATOM 1639 OE1 GLU A 104 11.419 -6.100 -10.038 1.00 3.03 O ATOM 1640 OE2 GLU A 104 10.381 -6.551 -11.975 1.00 64.02 O1- ATOM 0 H GLU A 104 11.655 -1.825 -11.373 1.00 33.11 H new ATOM 0 HA GLU A 104 14.458 -2.603 -11.340 1.00 43.24 H new ATOM 0 HB2 GLU A 104 13.655 -4.803 -11.025 1.00 32.13 H new ATOM 0 HB3 GLU A 104 12.595 -3.783 -10.071 1.00 32.13 H new ATOM 0 HG2 GLU A 104 10.905 -3.798 -11.899 1.00 20.34 H new ATOM 0 HG3 GLU A 104 11.970 -4.770 -12.894 1.00 20.34 H new