USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 799 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 78 GLN : amide:sc= -16.6! C(o=-26!,f=-36!) USER MOD Set 1.2: A 126 MET CE :methyl 166:sc= -9.27! (180deg=-7.93!) USER MOD Set 2.1: A 118 THR OG1 : rot 67:sc= 1.11 USER MOD Set 2.2: A 123 HIS : no HE2:sc= -15.8! C(o=-15!,f=-18!) USER MOD Set 3.1: A 57 LYS NZ :NH3+ 174:sc= 0.867 (180deg=0) USER MOD Set 3.2: A 71 TYR OH : rot -121:sc= 2.33 USER MOD Set 4.1: A 60 SER OG : rot 73:sc= -0.0897 USER MOD Set 4.2: A 62 MET CE :methyl 153:sc= -0.611 (180deg=-1.54!) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0703 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.0038) USER MOD Single : A 39 LYS NZ :NH3+ -129:sc=-0.00165 (180deg=-0.193) USER MOD Single : A 42 HIS : no HD1:sc= -26! C(o=-26!,f=-26!) USER MOD Single : A 45 CYS SG : rot -21:sc= -4.61! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -14.4! C(o=-14!,f=-16!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -130:sc= -11.4! (180deg=-21.3!) USER MOD Single : A 55 MET CE :methyl 170:sc= -2.56! (180deg=-3.02!) USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.215) USER MOD Single : A 65 ASN : amide:sc= -0.759 X(o=-0.76,f=-0.45) USER MOD Single : A 70 GLN :FLIP amide:sc= -2.54! C(o=-4.9!,f=-2.5!) USER MOD Single : A 72 SER OG : rot -55:sc= -1.31! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 62:sc= 0.128 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -133:sc= -0.89 (180deg=-2.79) USER MOD Single : A 95 GLN : amide:sc= -5.43! C(o=-5.4!,f=-8.3!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 160:sc= -2.05! (180deg=-3.57!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.517 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 168:sc= -2.08 (180deg=-2.18) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ -172:sc= -0.205! (180deg=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 28 88.027 -22.010 -9.515 1.00 0.00 N ATOM 2 CA GLY A 28 86.971 -21.028 -9.142 1.00 0.00 C ATOM 3 C GLY A 28 87.613 -19.666 -8.873 1.00 0.00 C ATOM 4 O GLY A 28 87.465 -18.736 -9.643 1.00 0.00 O ATOM 0 HA2 GLY A 28 86.238 -20.944 -9.944 1.00 0.00 H new ATOM 0 HA3 GLY A 28 86.437 -21.371 -8.256 1.00 0.00 H new ATOM 10 N SER A 29 88.327 -19.539 -7.789 1.00 0.00 N ATOM 11 CA SER A 29 88.980 -18.235 -7.474 1.00 0.00 C ATOM 12 C SER A 29 90.391 -18.194 -8.065 1.00 0.00 C ATOM 13 O SER A 29 91.057 -17.178 -8.037 1.00 0.00 O ATOM 14 CB SER A 29 89.036 -18.180 -5.947 1.00 0.00 C ATOM 15 OG SER A 29 89.473 -19.433 -5.443 1.00 0.00 O ATOM 0 H SER A 29 88.487 -20.281 -7.107 1.00 0.00 H new ATOM 0 HA SER A 29 88.436 -17.388 -7.893 1.00 0.00 H new ATOM 0 HB2 SER A 29 89.715 -17.390 -5.626 1.00 0.00 H new ATOM 0 HB3 SER A 29 88.052 -17.938 -5.545 1.00 0.00 H new ATOM 0 HG SER A 29 89.510 -19.397 -4.464 1.00 0.00 H new ATOM 21 N GLY A 30 90.853 -19.292 -8.598 1.00 0.00 N ATOM 22 CA GLY A 30 92.221 -19.316 -9.190 1.00 0.00 C ATOM 23 C GLY A 30 93.207 -19.898 -8.171 1.00 0.00 C ATOM 24 O GLY A 30 92.803 -20.526 -7.212 1.00 0.00 O ATOM 0 H GLY A 30 90.342 -20.174 -8.649 1.00 0.00 H new ATOM 0 HA2 GLY A 30 92.225 -19.916 -10.100 1.00 0.00 H new ATOM 0 HA3 GLY A 30 92.525 -18.308 -9.472 1.00 0.00 H new ATOM 28 N PRO A 31 94.476 -19.672 -8.408 1.00 0.00 N ATOM 29 CA PRO A 31 95.526 -20.183 -7.496 1.00 0.00 C ATOM 30 C PRO A 31 95.353 -19.588 -6.095 1.00 0.00 C ATOM 31 O PRO A 31 94.269 -19.196 -5.706 1.00 0.00 O ATOM 32 CB PRO A 31 96.816 -19.681 -8.150 1.00 0.00 C ATOM 33 CG PRO A 31 96.451 -18.893 -9.424 1.00 0.00 C ATOM 34 CD PRO A 31 94.926 -18.900 -9.592 1.00 0.00 C ATOM 0 HA PRO A 31 95.505 -21.265 -7.365 1.00 0.00 H new ATOM 0 HB2 PRO A 31 97.368 -19.045 -7.458 1.00 0.00 H new ATOM 0 HB3 PRO A 31 97.465 -20.521 -8.398 1.00 0.00 H new ATOM 0 HG2 PRO A 31 96.818 -17.869 -9.352 1.00 0.00 H new ATOM 0 HG3 PRO A 31 96.928 -19.342 -10.295 1.00 0.00 H new ATOM 0 HD2 PRO A 31 94.514 -17.891 -9.599 1.00 0.00 H new ATOM 0 HD3 PRO A 31 94.623 -19.375 -10.525 1.00 0.00 H new ATOM 42 N LYS A 32 96.412 -19.515 -5.336 1.00 0.00 N ATOM 43 CA LYS A 32 96.305 -18.942 -3.963 1.00 0.00 C ATOM 44 C LYS A 32 95.142 -19.591 -3.207 1.00 0.00 C ATOM 45 O LYS A 32 94.440 -20.432 -3.733 1.00 0.00 O ATOM 46 CB LYS A 32 96.038 -17.452 -4.179 1.00 0.00 C ATOM 47 CG LYS A 32 96.317 -16.689 -2.883 1.00 0.00 C ATOM 48 CD LYS A 32 96.563 -15.214 -3.205 1.00 0.00 C ATOM 49 CE LYS A 32 95.774 -14.342 -2.228 1.00 0.00 C ATOM 50 NZ LYS A 32 94.740 -13.671 -3.066 1.00 0.00 N ATOM 0 H LYS A 32 97.345 -19.826 -5.606 1.00 0.00 H new ATOM 0 HA LYS A 32 97.204 -19.116 -3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 32 96.671 -17.071 -4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 32 95.004 -17.298 -4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 32 95.473 -16.788 -2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 32 97.186 -17.112 -2.379 1.00 0.00 H new ATOM 0 HD2 LYS A 32 97.627 -14.988 -3.134 1.00 0.00 H new ATOM 0 HD3 LYS A 32 96.259 -14.998 -4.229 1.00 0.00 H new ATOM 0 HE2 LYS A 32 95.317 -14.943 -1.442 1.00 0.00 H new ATOM 0 HE3 LYS A 32 96.420 -13.613 -1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 94.156 -13.053 -2.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 95.205 -13.102 -3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 94.137 -14.390 -3.515 1.00 0.00 H new ATOM 64 N GLY A 33 94.934 -19.206 -1.978 1.00 0.00 N ATOM 65 CA GLY A 33 93.818 -19.801 -1.191 1.00 0.00 C ATOM 66 C GLY A 33 93.054 -18.688 -0.469 1.00 0.00 C ATOM 67 O GLY A 33 93.310 -18.393 0.681 1.00 0.00 O ATOM 0 H GLY A 33 95.488 -18.506 -1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 33 93.146 -20.350 -1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 33 94.210 -20.516 -0.468 1.00 0.00 H new ATOM 71 N GLY A 34 92.120 -18.067 -1.136 1.00 0.00 N ATOM 72 CA GLY A 34 91.345 -16.972 -0.487 1.00 0.00 C ATOM 73 C GLY A 34 89.911 -16.976 -1.021 1.00 0.00 C ATOM 74 O GLY A 34 89.315 -18.015 -1.224 1.00 0.00 O ATOM 0 H GLY A 34 91.860 -18.270 -2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 34 91.342 -17.106 0.595 1.00 0.00 H new ATOM 0 HA3 GLY A 34 91.816 -16.010 -0.688 1.00 0.00 H new ATOM 78 N GLY A 35 89.350 -15.818 -1.248 1.00 0.00 N ATOM 79 CA GLY A 35 87.954 -15.754 -1.766 1.00 0.00 C ATOM 80 C GLY A 35 86.991 -15.524 -0.599 1.00 0.00 C ATOM 81 O GLY A 35 87.383 -15.081 0.462 1.00 0.00 O ATOM 0 H GLY A 35 89.799 -14.915 -1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 35 87.861 -14.948 -2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 35 87.703 -16.680 -2.283 1.00 0.00 H new ATOM 85 N ASN A 36 85.733 -15.826 -0.782 1.00 0.00 N ATOM 86 CA ASN A 36 84.755 -15.625 0.326 1.00 0.00 C ATOM 87 C ASN A 36 84.841 -14.195 0.856 1.00 0.00 C ATOM 88 O ASN A 36 84.520 -13.923 1.996 1.00 0.00 O ATOM 89 CB ASN A 36 85.188 -16.609 1.404 1.00 0.00 C ATOM 90 CG ASN A 36 83.955 -17.183 2.103 1.00 0.00 C ATOM 91 OD1 ASN A 36 83.938 -18.337 2.482 1.00 0.00 O ATOM 92 ND2 ASN A 36 82.914 -16.419 2.293 1.00 0.00 N ATOM 0 H ASN A 36 85.342 -16.201 -1.646 1.00 0.00 H new ATOM 0 HA ASN A 36 83.726 -15.785 0.004 1.00 0.00 H new ATOM 0 HB2 ASN A 36 85.774 -17.414 0.961 1.00 0.00 H new ATOM 0 HB3 ASN A 36 85.830 -16.109 2.130 1.00 0.00 H new ATOM 0 HD21 ASN A 36 82.087 -16.791 2.760 1.00 0.00 H new ATOM 0 HD22 ASN A 36 82.928 -15.450 1.975 1.00 0.00 H new ATOM 99 N ALA A 37 85.285 -13.281 0.042 1.00 0.00 N ATOM 100 CA ALA A 37 85.401 -11.866 0.501 1.00 0.00 C ATOM 101 C ALA A 37 85.016 -10.909 -0.630 1.00 0.00 C ATOM 102 O ALA A 37 85.535 -10.988 -1.718 1.00 0.00 O ATOM 103 CB ALA A 37 86.873 -11.691 0.870 1.00 0.00 C ATOM 0 H ALA A 37 85.573 -13.450 -0.922 1.00 0.00 H new ATOM 0 HA ALA A 37 84.740 -11.649 1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 37 87.042 -10.672 1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 37 87.136 -12.394 1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 37 87.493 -11.882 -0.006 1.00 0.00 H new ATOM 109 N VAL A 38 84.110 -10.006 -0.373 1.00 0.00 N ATOM 110 CA VAL A 38 83.675 -9.039 -1.431 1.00 0.00 C ATOM 111 C VAL A 38 84.409 -7.701 -1.256 1.00 0.00 C ATOM 112 O VAL A 38 84.772 -7.346 -0.152 1.00 0.00 O ATOM 113 CB VAL A 38 82.167 -8.867 -1.211 1.00 0.00 C ATOM 114 CG1 VAL A 38 81.522 -10.228 -0.931 1.00 0.00 C ATOM 115 CG2 VAL A 38 81.920 -7.938 -0.021 1.00 0.00 C ATOM 0 H VAL A 38 83.647 -9.893 0.529 1.00 0.00 H new ATOM 0 HA VAL A 38 83.900 -9.392 -2.438 1.00 0.00 H new ATOM 0 HB VAL A 38 81.726 -8.435 -2.109 1.00 0.00 H new ATOM 0 HG11 VAL A 38 80.451 -10.098 -0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 38 81.688 -10.891 -1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 38 81.968 -10.665 -0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 38 80.847 -7.819 0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.368 -8.367 0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.368 -6.965 -0.220 1.00 0.00 H new ATOM 125 N LYS A 39 84.649 -6.943 -2.309 1.00 0.00 N ATOM 126 CA LYS A 39 85.371 -5.660 -2.100 1.00 0.00 C ATOM 127 C LYS A 39 84.359 -4.545 -1.810 1.00 0.00 C ATOM 128 O LYS A 39 83.836 -3.913 -2.704 1.00 0.00 O ATOM 129 CB LYS A 39 86.076 -5.441 -3.424 1.00 0.00 C ATOM 130 CG LYS A 39 87.519 -4.992 -3.183 1.00 0.00 C ATOM 131 CD LYS A 39 87.538 -3.536 -2.712 1.00 0.00 C ATOM 132 CE LYS A 39 88.986 -3.110 -2.459 1.00 0.00 C ATOM 133 NZ LYS A 39 89.537 -2.813 -3.812 1.00 0.00 N ATOM 0 H LYS A 39 84.382 -7.156 -3.270 1.00 0.00 H new ATOM 0 HA LYS A 39 86.065 -5.669 -1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 39 86.066 -6.362 -4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.545 -4.689 -4.007 1.00 0.00 H new ATOM 0 HG2 LYS A 39 87.988 -5.632 -2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 39 88.099 -5.095 -4.100 1.00 0.00 H new ATOM 0 HD2 LYS A 39 87.082 -2.892 -3.464 1.00 0.00 H new ATOM 0 HD3 LYS A 39 86.950 -3.428 -1.801 1.00 0.00 H new ATOM 0 HE2 LYS A 39 89.033 -2.234 -1.812 1.00 0.00 H new ATOM 0 HE3 LYS A 39 89.551 -3.901 -1.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 90.434 -3.323 -3.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 88.857 -3.117 -4.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 89.705 -1.791 -3.902 1.00 0.00 H new ATOM 147 N VAL A 40 84.056 -4.328 -0.553 1.00 0.00 N ATOM 148 CA VAL A 40 83.047 -3.290 -0.184 1.00 0.00 C ATOM 149 C VAL A 40 83.689 -1.947 0.185 1.00 0.00 C ATOM 150 O VAL A 40 84.788 -1.882 0.696 1.00 0.00 O ATOM 151 CB VAL A 40 82.313 -3.878 1.021 1.00 0.00 C ATOM 152 CG1 VAL A 40 83.187 -3.750 2.269 1.00 0.00 C ATOM 153 CG2 VAL A 40 81.001 -3.120 1.237 1.00 0.00 C ATOM 0 H VAL A 40 84.467 -4.828 0.235 1.00 0.00 H new ATOM 0 HA VAL A 40 82.388 -3.071 -1.024 1.00 0.00 H new ATOM 0 HB VAL A 40 82.100 -4.931 0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 40 82.661 -4.170 3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 40 84.121 -4.290 2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 40 83.403 -2.698 2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 40 80.476 -3.538 2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 40 81.215 -2.067 1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 40 80.376 -3.214 0.349 1.00 0.00 H new ATOM 163 N ARG A 41 82.980 -0.875 -0.064 1.00 0.00 N ATOM 164 CA ARG A 41 83.495 0.485 0.273 1.00 0.00 C ATOM 165 C ARG A 41 82.607 1.104 1.369 1.00 0.00 C ATOM 166 O ARG A 41 81.438 0.787 1.478 1.00 0.00 O ATOM 167 CB ARG A 41 83.403 1.275 -1.035 1.00 0.00 C ATOM 168 CG ARG A 41 84.428 0.734 -2.033 1.00 0.00 C ATOM 169 CD ARG A 41 84.628 1.748 -3.163 1.00 0.00 C ATOM 170 NE ARG A 41 84.333 0.989 -4.410 1.00 0.00 N ATOM 171 CZ ARG A 41 85.056 1.182 -5.480 1.00 0.00 C ATOM 172 NH1 ARG A 41 86.321 0.857 -5.480 1.00 0.00 N ATOM 173 NH2 ARG A 41 84.515 1.698 -6.549 1.00 0.00 N ATOM 0 H ARG A 41 82.054 -0.886 -0.492 1.00 0.00 H new ATOM 0 HA ARG A 41 84.515 0.478 0.656 1.00 0.00 H new ATOM 0 HB2 ARG A 41 82.398 1.195 -1.450 1.00 0.00 H new ATOM 0 HB3 ARG A 41 83.587 2.333 -0.847 1.00 0.00 H new ATOM 0 HG2 ARG A 41 85.376 0.544 -1.529 1.00 0.00 H new ATOM 0 HG3 ARG A 41 84.087 -0.218 -2.441 1.00 0.00 H new ATOM 0 HD2 ARG A 41 83.959 2.602 -3.052 1.00 0.00 H new ATOM 0 HD3 ARG A 41 85.646 2.139 -3.169 1.00 0.00 H new ATOM 0 HE ARG A 41 83.565 0.318 -4.428 1.00 0.00 H new ATOM 0 HH11 ARG A 41 86.744 0.453 -4.644 1.00 0.00 H new ATOM 0 HH12 ARG A 41 86.886 1.008 -6.316 1.00 0.00 H new ATOM 0 HH21 ARG A 41 83.527 1.951 -6.549 1.00 0.00 H new ATOM 0 HH22 ARG A 41 85.080 1.849 -7.385 1.00 0.00 H new ATOM 187 N HIS A 42 83.159 1.950 2.204 1.00 0.00 N ATOM 188 CA HIS A 42 82.342 2.546 3.322 1.00 0.00 C ATOM 189 C HIS A 42 82.275 4.082 3.292 1.00 0.00 C ATOM 190 O HIS A 42 83.271 4.753 3.433 1.00 0.00 O ATOM 191 CB HIS A 42 83.049 2.110 4.611 1.00 0.00 C ATOM 192 CG HIS A 42 84.536 2.417 4.540 1.00 0.00 C ATOM 193 ND1 HIS A 42 85.440 1.905 5.460 1.00 0.00 N ATOM 194 CD2 HIS A 42 85.294 3.157 3.660 1.00 0.00 C ATOM 195 CE1 HIS A 42 86.667 2.334 5.110 1.00 0.00 C ATOM 196 NE2 HIS A 42 86.633 3.101 4.023 1.00 0.00 N ATOM 0 H HIS A 42 84.131 2.255 2.166 1.00 0.00 H new ATOM 0 HA HIS A 42 81.311 2.203 3.237 1.00 0.00 H new ATOM 0 HB2 HIS A 42 82.607 2.623 5.465 1.00 0.00 H new ATOM 0 HB3 HIS A 42 82.901 1.042 4.769 1.00 0.00 H new ATOM 0 HD2 HIS A 42 84.904 3.701 2.812 1.00 0.00 H new ATOM 0 HE1 HIS A 42 87.571 2.086 5.647 1.00 0.00 H new ATOM 0 HE2 HIS A 42 87.421 3.551 3.557 1.00 0.00 H new ATOM 204 N ILE A 43 81.090 4.639 3.178 1.00 0.00 N ATOM 205 CA ILE A 43 80.946 6.139 3.203 1.00 0.00 C ATOM 206 C ILE A 43 79.940 6.535 4.307 1.00 0.00 C ATOM 207 O ILE A 43 78.792 6.142 4.270 1.00 0.00 O ATOM 208 CB ILE A 43 80.438 6.536 1.790 1.00 0.00 C ATOM 209 CG1 ILE A 43 81.177 7.787 1.299 1.00 0.00 C ATOM 210 CG2 ILE A 43 78.937 6.842 1.804 1.00 0.00 C ATOM 211 CD1 ILE A 43 80.495 8.322 0.037 1.00 0.00 C ATOM 0 H ILE A 43 80.216 4.124 3.069 1.00 0.00 H new ATOM 0 HA ILE A 43 81.881 6.651 3.428 1.00 0.00 H new ATOM 0 HB ILE A 43 80.628 5.693 1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 43 81.177 8.551 2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 43 82.219 7.547 1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 43 78.612 7.117 0.800 1.00 0.00 H new ATOM 0 HG22 ILE A 43 78.389 5.960 2.134 1.00 0.00 H new ATOM 0 HG23 ILE A 43 78.740 7.668 2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 43 81.021 9.211 -0.312 1.00 0.00 H new ATOM 0 HD12 ILE A 43 80.518 7.559 -0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 43 79.460 8.578 0.263 1.00 0.00 H new ATOM 223 N LEU A 44 80.347 7.302 5.294 1.00 0.00 N ATOM 224 CA LEU A 44 79.371 7.685 6.367 1.00 0.00 C ATOM 225 C LEU A 44 78.914 9.120 6.198 1.00 0.00 C ATOM 226 O LEU A 44 79.629 9.975 5.725 1.00 0.00 O ATOM 227 CB LEU A 44 80.087 7.597 7.720 1.00 0.00 C ATOM 228 CG LEU A 44 80.596 6.194 8.032 1.00 0.00 C ATOM 229 CD1 LEU A 44 80.257 5.858 9.486 1.00 0.00 C ATOM 230 CD2 LEU A 44 79.950 5.160 7.126 1.00 0.00 C ATOM 0 H LEU A 44 81.291 7.672 5.403 1.00 0.00 H new ATOM 0 HA LEU A 44 78.512 7.017 6.308 1.00 0.00 H new ATOM 0 HB2 LEU A 44 80.926 8.292 7.727 1.00 0.00 H new ATOM 0 HB3 LEU A 44 79.404 7.914 8.508 1.00 0.00 H new ATOM 0 HG LEU A 44 81.673 6.172 7.868 1.00 0.00 H new ATOM 0 HD11 LEU A 44 80.616 4.856 9.721 1.00 0.00 H new ATOM 0 HD12 LEU A 44 80.736 6.580 10.147 1.00 0.00 H new ATOM 0 HD13 LEU A 44 79.177 5.898 9.626 1.00 0.00 H new ATOM 0 HD21 LEU A 44 80.333 4.170 7.373 1.00 0.00 H new ATOM 0 HD22 LEU A 44 78.869 5.177 7.268 1.00 0.00 H new ATOM 0 HD23 LEU A 44 80.183 5.391 6.087 1.00 0.00 H new ATOM 242 N CYS A 45 77.732 9.384 6.627 1.00 0.00 N ATOM 243 CA CYS A 45 77.205 10.767 6.553 1.00 0.00 C ATOM 244 C CYS A 45 76.482 11.095 7.857 1.00 0.00 C ATOM 245 O CYS A 45 75.280 11.223 7.892 1.00 0.00 O ATOM 246 CB CYS A 45 76.242 10.778 5.371 1.00 0.00 C ATOM 247 SG CYS A 45 77.153 10.397 3.853 1.00 0.00 S ATOM 0 H CYS A 45 77.094 8.699 7.032 1.00 0.00 H new ATOM 0 HA CYS A 45 77.990 11.512 6.418 1.00 0.00 H new ATOM 0 HB2 CYS A 45 75.449 10.046 5.526 1.00 0.00 H new ATOM 0 HB3 CYS A 45 75.763 11.754 5.286 1.00 0.00 H new ATOM 0 HG CYS A 45 78.417 10.644 4.032 1.00 0.00 H new ATOM 253 N GLU A 46 77.210 11.218 8.936 1.00 0.00 N ATOM 254 CA GLU A 46 76.562 11.532 10.246 1.00 0.00 C ATOM 255 C GLU A 46 75.420 12.540 10.051 1.00 0.00 C ATOM 256 O GLU A 46 74.466 12.562 10.804 1.00 0.00 O ATOM 257 CB GLU A 46 77.672 12.135 11.107 1.00 0.00 C ATOM 258 CG GLU A 46 77.888 11.261 12.344 1.00 0.00 C ATOM 259 CD GLU A 46 78.848 10.119 12.002 1.00 0.00 C ATOM 260 OE1 GLU A 46 78.384 9.119 11.481 1.00 0.00 O ATOM 261 OE2 GLU A 46 80.030 10.266 12.267 1.00 0.00 O ATOM 0 H GLU A 46 78.224 11.115 8.968 1.00 0.00 H new ATOM 0 HA GLU A 46 76.124 10.648 10.709 1.00 0.00 H new ATOM 0 HB2 GLU A 46 78.595 12.205 10.532 1.00 0.00 H new ATOM 0 HB3 GLU A 46 77.405 13.148 11.406 1.00 0.00 H new ATOM 0 HG2 GLU A 46 78.294 11.860 13.159 1.00 0.00 H new ATOM 0 HG3 GLU A 46 76.935 10.858 12.689 1.00 0.00 H new ATOM 268 N LYS A 47 75.502 13.367 9.041 1.00 0.00 N ATOM 269 CA LYS A 47 74.412 14.358 8.797 1.00 0.00 C ATOM 270 C LYS A 47 73.454 13.811 7.736 1.00 0.00 C ATOM 271 O LYS A 47 72.300 14.184 7.669 1.00 0.00 O ATOM 272 CB LYS A 47 75.118 15.615 8.289 1.00 0.00 C ATOM 273 CG LYS A 47 76.291 15.950 9.213 1.00 0.00 C ATOM 274 CD LYS A 47 76.874 17.310 8.823 1.00 0.00 C ATOM 275 CE LYS A 47 78.357 17.357 9.197 1.00 0.00 C ATOM 276 NZ LYS A 47 78.485 18.540 10.093 1.00 0.00 N ATOM 0 H LYS A 47 76.275 13.399 8.376 1.00 0.00 H new ATOM 0 HA LYS A 47 73.825 14.564 9.692 1.00 0.00 H new ATOM 0 HB2 LYS A 47 75.476 15.458 7.272 1.00 0.00 H new ATOM 0 HB3 LYS A 47 74.418 16.450 8.255 1.00 0.00 H new ATOM 0 HG2 LYS A 47 75.957 15.969 10.250 1.00 0.00 H new ATOM 0 HG3 LYS A 47 77.058 15.179 9.139 1.00 0.00 H new ATOM 0 HD2 LYS A 47 76.753 17.476 7.753 1.00 0.00 H new ATOM 0 HD3 LYS A 47 76.334 18.108 9.332 1.00 0.00 H new ATOM 0 HE2 LYS A 47 78.667 16.442 9.702 1.00 0.00 H new ATOM 0 HE3 LYS A 47 78.985 17.461 8.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 79.475 18.642 10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 78.189 19.396 9.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 77.880 18.409 10.929 1.00 0.00 H new ATOM 290 N HIS A 48 73.936 12.917 6.916 1.00 0.00 N ATOM 291 CA HIS A 48 73.084 12.308 5.854 1.00 0.00 C ATOM 292 C HIS A 48 72.610 13.370 4.863 1.00 0.00 C ATOM 293 O HIS A 48 71.793 13.109 4.001 1.00 0.00 O ATOM 294 CB HIS A 48 71.921 11.661 6.603 1.00 0.00 C ATOM 295 CG HIS A 48 72.489 10.677 7.588 1.00 0.00 C ATOM 296 ND1 HIS A 48 73.482 9.776 7.233 1.00 0.00 N ATOM 297 CD2 HIS A 48 72.256 10.470 8.924 1.00 0.00 C ATOM 298 CE1 HIS A 48 73.814 9.078 8.334 1.00 0.00 C ATOM 299 NE2 HIS A 48 73.095 9.460 9.395 1.00 0.00 N ATOM 0 H HIS A 48 74.898 12.578 6.937 1.00 0.00 H new ATOM 0 HA HIS A 48 73.624 11.574 5.256 1.00 0.00 H new ATOM 0 HB2 HIS A 48 71.332 12.419 7.119 1.00 0.00 H new ATOM 0 HB3 HIS A 48 71.252 11.158 5.905 1.00 0.00 H new ATOM 0 HD2 HIS A 48 71.533 11.007 9.520 1.00 0.00 H new ATOM 0 HE1 HIS A 48 74.568 8.305 8.358 1.00 0.00 H new ATOM 0 HE2 HIS A 48 73.149 9.092 10.345 1.00 0.00 H new ATOM 307 N GLY A 49 73.146 14.556 4.950 1.00 0.00 N ATOM 308 CA GLY A 49 72.758 15.615 3.983 1.00 0.00 C ATOM 309 C GLY A 49 73.460 15.311 2.658 1.00 0.00 C ATOM 310 O GLY A 49 73.068 15.774 1.605 1.00 0.00 O ATOM 0 H GLY A 49 73.835 14.835 5.649 1.00 0.00 H new ATOM 0 HA2 GLY A 49 71.677 15.633 3.848 1.00 0.00 H new ATOM 0 HA3 GLY A 49 73.049 16.598 4.354 1.00 0.00 H new ATOM 314 N LYS A 50 74.496 14.513 2.714 1.00 0.00 N ATOM 315 CA LYS A 50 75.242 14.142 1.479 1.00 0.00 C ATOM 316 C LYS A 50 75.118 12.642 1.240 1.00 0.00 C ATOM 317 O LYS A 50 75.386 12.154 0.162 1.00 0.00 O ATOM 318 CB LYS A 50 76.694 14.537 1.755 1.00 0.00 C ATOM 319 CG LYS A 50 77.291 13.628 2.834 1.00 0.00 C ATOM 320 CD LYS A 50 77.207 14.328 4.191 1.00 0.00 C ATOM 321 CE LYS A 50 78.492 15.122 4.436 1.00 0.00 C ATOM 322 NZ LYS A 50 78.071 16.274 5.282 1.00 0.00 N ATOM 0 H LYS A 50 74.859 14.100 3.573 1.00 0.00 H new ATOM 0 HA LYS A 50 74.859 14.640 0.589 1.00 0.00 H new ATOM 0 HB2 LYS A 50 77.280 14.461 0.839 1.00 0.00 H new ATOM 0 HB3 LYS A 50 76.741 15.577 2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 50 76.752 12.681 2.867 1.00 0.00 H new ATOM 0 HG3 LYS A 50 78.329 13.396 2.596 1.00 0.00 H new ATOM 0 HD2 LYS A 50 76.345 14.994 4.216 1.00 0.00 H new ATOM 0 HD3 LYS A 50 77.064 13.593 4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 50 79.243 14.514 4.941 1.00 0.00 H new ATOM 0 HE3 LYS A 50 78.933 15.460 3.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 78.897 16.869 5.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 77.361 16.838 4.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 77.661 15.921 6.170 1.00 0.00 H new ATOM 336 N ILE A 51 74.703 11.903 2.231 1.00 0.00 N ATOM 337 CA ILE A 51 74.559 10.441 2.030 1.00 0.00 C ATOM 338 C ILE A 51 73.810 10.197 0.727 1.00 0.00 C ATOM 339 O ILE A 51 74.044 9.225 0.042 1.00 0.00 O ATOM 340 CB ILE A 51 73.766 9.932 3.233 1.00 0.00 C ATOM 341 CG1 ILE A 51 73.711 8.403 3.196 1.00 0.00 C ATOM 342 CG2 ILE A 51 72.344 10.492 3.195 1.00 0.00 C ATOM 343 CD1 ILE A 51 75.100 7.834 3.499 1.00 0.00 C ATOM 0 H ILE A 51 74.461 12.246 3.160 1.00 0.00 H new ATOM 0 HA ILE A 51 75.516 9.925 1.960 1.00 0.00 H new ATOM 0 HB ILE A 51 74.256 10.260 4.150 1.00 0.00 H new ATOM 0 HG12 ILE A 51 72.989 8.037 3.926 1.00 0.00 H new ATOM 0 HG13 ILE A 51 73.373 8.064 2.216 1.00 0.00 H new ATOM 0 HG21 ILE A 51 71.785 10.125 4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 51 72.381 11.581 3.224 1.00 0.00 H new ATOM 0 HG23 ILE A 51 71.851 10.170 2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 51 75.061 6.745 3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 51 75.810 8.190 2.752 1.00 0.00 H new ATOM 0 HD13 ILE A 51 75.420 8.162 4.488 1.00 0.00 H new ATOM 355 N MET A 52 72.932 11.094 0.362 1.00 0.00 N ATOM 356 CA MET A 52 72.199 10.930 -0.922 1.00 0.00 C ATOM 357 C MET A 52 73.035 11.560 -2.031 1.00 0.00 C ATOM 358 O MET A 52 73.196 11.006 -3.100 1.00 0.00 O ATOM 359 CB MET A 52 70.845 11.641 -0.717 1.00 0.00 C ATOM 360 CG MET A 52 70.674 12.803 -1.706 1.00 0.00 C ATOM 361 SD MET A 52 70.447 12.147 -3.379 1.00 0.00 S ATOM 362 CE MET A 52 71.746 13.118 -4.187 1.00 0.00 C ATOM 0 H MET A 52 72.693 11.929 0.897 1.00 0.00 H new ATOM 0 HA MET A 52 72.027 9.892 -1.206 1.00 0.00 H new ATOM 0 HB2 MET A 52 70.032 10.926 -0.847 1.00 0.00 H new ATOM 0 HB3 MET A 52 70.779 12.016 0.304 1.00 0.00 H new ATOM 0 HG2 MET A 52 69.815 13.411 -1.423 1.00 0.00 H new ATOM 0 HG3 MET A 52 71.549 13.453 -1.675 1.00 0.00 H new ATOM 0 HE1 MET A 52 71.341 13.596 -5.079 1.00 0.00 H new ATOM 0 HE2 MET A 52 72.110 13.882 -3.500 1.00 0.00 H new ATOM 0 HE3 MET A 52 72.569 12.461 -4.469 1.00 0.00 H new ATOM 372 N GLU A 53 73.614 12.687 -1.753 1.00 0.00 N ATOM 373 CA GLU A 53 74.493 13.332 -2.750 1.00 0.00 C ATOM 374 C GLU A 53 75.566 12.319 -3.075 1.00 0.00 C ATOM 375 O GLU A 53 76.079 12.252 -4.173 1.00 0.00 O ATOM 376 CB GLU A 53 75.077 14.559 -2.051 1.00 0.00 C ATOM 377 CG GLU A 53 75.010 15.758 -2.995 1.00 0.00 C ATOM 378 CD GLU A 53 75.674 16.966 -2.331 1.00 0.00 C ATOM 379 OE1 GLU A 53 76.804 16.830 -1.891 1.00 0.00 O ATOM 380 OE2 GLU A 53 75.042 18.008 -2.275 1.00 0.00 O ATOM 0 H GLU A 53 73.514 13.191 -0.872 1.00 0.00 H new ATOM 0 HA GLU A 53 73.994 13.637 -3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 53 74.522 14.770 -1.137 1.00 0.00 H new ATOM 0 HB3 GLU A 53 76.110 14.368 -1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 53 75.512 15.524 -3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 53 73.972 15.987 -3.237 1.00 0.00 H new ATOM 387 N ALA A 54 75.875 11.492 -2.113 1.00 0.00 N ATOM 388 CA ALA A 54 76.881 10.433 -2.356 1.00 0.00 C ATOM 389 C ALA A 54 76.282 9.452 -3.354 1.00 0.00 C ATOM 390 O ALA A 54 76.973 8.836 -4.141 1.00 0.00 O ATOM 391 CB ALA A 54 77.108 9.761 -1.001 1.00 0.00 C ATOM 0 H ALA A 54 75.474 11.508 -1.175 1.00 0.00 H new ATOM 0 HA ALA A 54 77.822 10.808 -2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 54 77.844 8.964 -1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 54 77.473 10.498 -0.286 1.00 0.00 H new ATOM 0 HB3 ALA A 54 76.169 9.341 -0.641 1.00 0.00 H new ATOM 397 N MET A 55 74.981 9.319 -3.333 1.00 0.00 N ATOM 398 CA MET A 55 74.314 8.387 -4.288 1.00 0.00 C ATOM 399 C MET A 55 74.385 8.954 -5.706 1.00 0.00 C ATOM 400 O MET A 55 74.744 8.268 -6.640 1.00 0.00 O ATOM 401 CB MET A 55 72.862 8.302 -3.824 1.00 0.00 C ATOM 402 CG MET A 55 72.823 7.898 -2.353 1.00 0.00 C ATOM 403 SD MET A 55 71.107 7.633 -1.842 1.00 0.00 S ATOM 404 CE MET A 55 71.354 6.023 -1.055 1.00 0.00 C ATOM 0 H MET A 55 74.354 9.814 -2.698 1.00 0.00 H new ATOM 0 HA MET A 55 74.791 7.407 -4.305 1.00 0.00 H new ATOM 0 HB2 MET A 55 72.368 9.264 -3.962 1.00 0.00 H new ATOM 0 HB3 MET A 55 72.318 7.575 -4.427 1.00 0.00 H new ATOM 0 HG2 MET A 55 73.403 6.988 -2.200 1.00 0.00 H new ATOM 0 HG3 MET A 55 73.280 8.675 -1.740 1.00 0.00 H new ATOM 0 HE1 MET A 55 70.453 5.743 -0.508 1.00 0.00 H new ATOM 0 HE2 MET A 55 71.563 5.273 -1.818 1.00 0.00 H new ATOM 0 HE3 MET A 55 72.195 6.081 -0.364 1.00 0.00 H new ATOM 414 N GLU A 56 74.042 10.202 -5.872 1.00 0.00 N ATOM 415 CA GLU A 56 74.086 10.814 -7.230 1.00 0.00 C ATOM 416 C GLU A 56 75.535 10.992 -7.686 1.00 0.00 C ATOM 417 O GLU A 56 75.947 10.446 -8.688 1.00 0.00 O ATOM 418 CB GLU A 56 73.400 12.172 -7.073 1.00 0.00 C ATOM 419 CG GLU A 56 71.899 12.016 -7.323 1.00 0.00 C ATOM 420 CD GLU A 56 71.453 13.016 -8.391 1.00 0.00 C ATOM 421 OE1 GLU A 56 71.388 14.194 -8.080 1.00 0.00 O ATOM 422 OE2 GLU A 56 71.184 12.587 -9.501 1.00 0.00 O ATOM 0 H GLU A 56 73.733 10.825 -5.125 1.00 0.00 H new ATOM 0 HA GLU A 56 73.595 10.193 -7.979 1.00 0.00 H new ATOM 0 HB2 GLU A 56 73.574 12.566 -6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 56 73.824 12.889 -7.776 1.00 0.00 H new ATOM 0 HG2 GLU A 56 71.677 10.999 -7.647 1.00 0.00 H new ATOM 0 HG3 GLU A 56 71.346 12.184 -6.399 1.00 0.00 H new ATOM 429 N LYS A 57 76.310 11.751 -6.958 1.00 0.00 N ATOM 430 CA LYS A 57 77.733 11.959 -7.354 1.00 0.00 C ATOM 431 C LYS A 57 78.340 10.635 -7.821 1.00 0.00 C ATOM 432 O LYS A 57 78.580 10.428 -8.994 1.00 0.00 O ATOM 433 CB LYS A 57 78.431 12.455 -6.088 1.00 0.00 C ATOM 434 CG LYS A 57 78.474 13.984 -6.095 1.00 0.00 C ATOM 435 CD LYS A 57 79.849 14.453 -5.613 1.00 0.00 C ATOM 436 CE LYS A 57 80.069 15.907 -6.030 1.00 0.00 C ATOM 437 NZ LYS A 57 80.666 16.560 -4.831 1.00 0.00 N ATOM 0 H LYS A 57 76.020 12.235 -6.108 1.00 0.00 H new ATOM 0 HA LYS A 57 77.838 12.668 -8.175 1.00 0.00 H new ATOM 0 HB2 LYS A 57 77.901 12.100 -5.205 1.00 0.00 H new ATOM 0 HB3 LYS A 57 79.443 12.052 -6.036 1.00 0.00 H new ATOM 0 HG2 LYS A 57 78.280 14.360 -7.099 1.00 0.00 H new ATOM 0 HG3 LYS A 57 77.693 14.384 -5.448 1.00 0.00 H new ATOM 0 HD2 LYS A 57 79.917 14.361 -4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.629 13.820 -6.036 1.00 0.00 H new ATOM 0 HE2 LYS A 57 80.735 15.975 -6.890 1.00 0.00 H new ATOM 0 HE3 LYS A 57 79.131 16.383 -6.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 80.941 17.535 -5.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 79.968 16.574 -4.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 81.506 16.027 -4.528 1.00 0.00 H new ATOM 451 N LEU A 58 78.585 9.734 -6.911 1.00 0.00 N ATOM 452 CA LEU A 58 79.169 8.419 -7.301 1.00 0.00 C ATOM 453 C LEU A 58 78.463 7.865 -8.546 1.00 0.00 C ATOM 454 O LEU A 58 79.065 7.193 -9.359 1.00 0.00 O ATOM 455 CB LEU A 58 78.925 7.511 -6.097 1.00 0.00 C ATOM 456 CG LEU A 58 80.056 7.696 -5.085 1.00 0.00 C ATOM 457 CD1 LEU A 58 79.995 9.106 -4.499 1.00 0.00 C ATOM 458 CD2 LEU A 58 79.907 6.671 -3.959 1.00 0.00 C ATOM 0 H LEU A 58 78.406 9.851 -5.914 1.00 0.00 H new ATOM 0 HA LEU A 58 80.227 8.496 -7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.967 7.750 -5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 58 78.875 6.470 -6.417 1.00 0.00 H new ATOM 0 HG LEU A 58 81.014 7.552 -5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 58 80.802 9.236 -3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 58 80.103 9.838 -5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 58 79.037 9.252 -4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 58 80.713 6.803 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 58 78.948 6.814 -3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 58 79.953 5.664 -4.375 1.00 0.00 H new ATOM 470 N LYS A 59 77.194 8.137 -8.702 1.00 0.00 N ATOM 471 CA LYS A 59 76.464 7.617 -9.896 1.00 0.00 C ATOM 472 C LYS A 59 76.723 8.508 -11.111 1.00 0.00 C ATOM 473 O LYS A 59 77.413 8.123 -12.035 1.00 0.00 O ATOM 474 CB LYS A 59 74.986 7.659 -9.511 1.00 0.00 C ATOM 475 CG LYS A 59 74.545 6.274 -9.036 1.00 0.00 C ATOM 476 CD LYS A 59 73.442 5.748 -9.957 1.00 0.00 C ATOM 477 CE LYS A 59 72.136 6.488 -9.662 1.00 0.00 C ATOM 478 NZ LYS A 59 71.180 5.995 -10.693 1.00 0.00 N ATOM 0 H LYS A 59 76.633 8.694 -8.057 1.00 0.00 H new ATOM 0 HA LYS A 59 76.788 6.612 -10.165 1.00 0.00 H new ATOM 0 HB2 LYS A 59 74.825 8.394 -8.723 1.00 0.00 H new ATOM 0 HB3 LYS A 59 74.385 7.971 -10.365 1.00 0.00 H new ATOM 0 HG2 LYS A 59 75.393 5.589 -9.039 1.00 0.00 H new ATOM 0 HG3 LYS A 59 74.182 6.328 -8.010 1.00 0.00 H new ATOM 0 HD2 LYS A 59 73.726 5.890 -11.000 1.00 0.00 H new ATOM 0 HD3 LYS A 59 73.308 4.677 -9.806 1.00 0.00 H new ATOM 0 HE2 LYS A 59 71.778 6.273 -8.655 1.00 0.00 H new ATOM 0 HE3 LYS A 59 72.269 7.568 -9.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 70.210 6.249 -10.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 71.404 6.431 -11.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 71.258 4.961 -10.773 1.00 0.00 H new ATOM 492 N SER A 60 76.171 9.692 -11.118 1.00 0.00 N ATOM 493 CA SER A 60 76.382 10.609 -12.278 1.00 0.00 C ATOM 494 C SER A 60 77.831 10.526 -12.758 1.00 0.00 C ATOM 495 O SER A 60 78.110 10.591 -13.939 1.00 0.00 O ATOM 496 CB SER A 60 76.077 12.013 -11.750 1.00 0.00 C ATOM 497 OG SER A 60 75.534 11.925 -10.441 1.00 0.00 O ATOM 0 H SER A 60 75.584 10.064 -10.372 1.00 0.00 H new ATOM 0 HA SER A 60 75.746 10.348 -13.124 1.00 0.00 H new ATOM 0 HB2 SER A 60 76.987 12.613 -11.737 1.00 0.00 H new ATOM 0 HB3 SER A 60 75.373 12.516 -12.413 1.00 0.00 H new ATOM 0 HG SER A 60 76.243 11.684 -9.808 1.00 0.00 H new ATOM 503 N GLY A 61 78.755 10.377 -11.851 1.00 0.00 N ATOM 504 CA GLY A 61 80.184 10.284 -12.256 1.00 0.00 C ATOM 505 C GLY A 61 80.956 11.479 -11.697 1.00 0.00 C ATOM 506 O GLY A 61 81.888 11.963 -12.307 1.00 0.00 O ATOM 0 H GLY A 61 78.582 10.316 -10.848 1.00 0.00 H new ATOM 0 HA2 GLY A 61 80.617 9.354 -11.887 1.00 0.00 H new ATOM 0 HA3 GLY A 61 80.263 10.263 -13.343 1.00 0.00 H new ATOM 510 N MET A 62 80.587 11.954 -10.538 1.00 0.00 N ATOM 511 CA MET A 62 81.319 13.108 -9.950 1.00 0.00 C ATOM 512 C MET A 62 82.622 12.608 -9.332 1.00 0.00 C ATOM 513 O MET A 62 83.186 11.626 -9.771 1.00 0.00 O ATOM 514 CB MET A 62 80.384 13.667 -8.876 1.00 0.00 C ATOM 515 CG MET A 62 80.104 15.145 -9.159 1.00 0.00 C ATOM 516 SD MET A 62 79.029 15.288 -10.608 1.00 0.00 S ATOM 517 CE MET A 62 77.450 15.155 -9.734 1.00 0.00 C ATOM 0 H MET A 62 79.815 11.594 -9.977 1.00 0.00 H new ATOM 0 HA MET A 62 81.577 13.870 -10.685 1.00 0.00 H new ATOM 0 HB2 MET A 62 79.450 13.105 -8.864 1.00 0.00 H new ATOM 0 HB3 MET A 62 80.836 13.554 -7.891 1.00 0.00 H new ATOM 0 HG2 MET A 62 79.630 15.609 -8.294 1.00 0.00 H new ATOM 0 HG3 MET A 62 81.039 15.677 -9.333 1.00 0.00 H new ATOM 0 HE1 MET A 62 76.676 15.673 -10.300 1.00 0.00 H new ATOM 0 HE2 MET A 62 77.180 14.104 -9.628 1.00 0.00 H new ATOM 0 HE3 MET A 62 77.541 15.608 -8.747 1.00 0.00 H new ATOM 527 N ARG A 63 83.108 13.260 -8.317 1.00 0.00 N ATOM 528 CA ARG A 63 84.370 12.794 -7.688 1.00 0.00 C ATOM 529 C ARG A 63 84.133 11.503 -6.918 1.00 0.00 C ATOM 530 O ARG A 63 83.293 11.444 -6.047 1.00 0.00 O ATOM 531 CB ARG A 63 84.759 13.881 -6.701 1.00 0.00 C ATOM 532 CG ARG A 63 85.110 15.162 -7.439 1.00 0.00 C ATOM 533 CD ARG A 63 84.647 16.354 -6.600 1.00 0.00 C ATOM 534 NE ARG A 63 85.826 17.264 -6.546 1.00 0.00 N ATOM 535 CZ ARG A 63 85.825 18.281 -5.730 1.00 0.00 C ATOM 536 NH1 ARG A 63 85.385 18.138 -4.510 1.00 0.00 N ATOM 537 NH2 ARG A 63 86.263 19.442 -6.135 1.00 0.00 N ATOM 0 H ARG A 63 82.689 14.090 -7.898 1.00 0.00 H new ATOM 0 HA ARG A 63 85.138 12.608 -8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 63 83.937 14.065 -6.010 1.00 0.00 H new ATOM 0 HB3 ARG A 63 85.610 13.552 -6.104 1.00 0.00 H new ATOM 0 HG2 ARG A 63 86.185 15.216 -7.612 1.00 0.00 H new ATOM 0 HG3 ARG A 63 84.629 15.179 -8.417 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.788 16.847 -7.054 1.00 0.00 H new ATOM 0 HD3 ARG A 63 84.344 16.040 -5.601 1.00 0.00 H new ATOM 0 HE ARG A 63 86.632 17.092 -7.146 1.00 0.00 H new ATOM 0 HH11 ARG A 63 85.042 17.231 -4.195 1.00 0.00 H new ATOM 0 HH12 ARG A 63 85.384 18.934 -3.872 1.00 0.00 H new ATOM 0 HH21 ARG A 63 86.606 19.553 -7.089 1.00 0.00 H new ATOM 0 HH22 ARG A 63 86.263 20.238 -5.497 1.00 0.00 H new ATOM 551 N PHE A 64 84.880 10.481 -7.200 1.00 0.00 N ATOM 552 CA PHE A 64 84.699 9.220 -6.442 1.00 0.00 C ATOM 553 C PHE A 64 85.592 9.267 -5.204 1.00 0.00 C ATOM 554 O PHE A 64 85.260 8.737 -4.163 1.00 0.00 O ATOM 555 CB PHE A 64 85.144 8.108 -7.395 1.00 0.00 C ATOM 556 CG PHE A 64 83.940 7.534 -8.103 1.00 0.00 C ATOM 557 CD1 PHE A 64 82.833 7.101 -7.363 1.00 0.00 C ATOM 558 CD2 PHE A 64 83.931 7.434 -9.500 1.00 0.00 C ATOM 559 CE1 PHE A 64 81.717 6.567 -8.021 1.00 0.00 C ATOM 560 CE2 PHE A 64 82.814 6.902 -10.157 1.00 0.00 C ATOM 561 CZ PHE A 64 81.708 6.469 -9.417 1.00 0.00 C ATOM 0 H PHE A 64 85.604 10.463 -7.918 1.00 0.00 H new ATOM 0 HA PHE A 64 83.673 9.061 -6.110 1.00 0.00 H new ATOM 0 HB2 PHE A 64 85.853 8.502 -8.123 1.00 0.00 H new ATOM 0 HB3 PHE A 64 85.660 7.324 -6.840 1.00 0.00 H new ATOM 0 HD1 PHE A 64 82.839 7.179 -6.286 1.00 0.00 H new ATOM 0 HD2 PHE A 64 84.785 7.767 -10.071 1.00 0.00 H new ATOM 0 HE1 PHE A 64 80.864 6.231 -7.451 1.00 0.00 H new ATOM 0 HE2 PHE A 64 82.806 6.826 -11.234 1.00 0.00 H new ATOM 0 HZ PHE A 64 80.847 6.059 -9.924 1.00 0.00 H new ATOM 571 N ASN A 65 86.725 9.910 -5.312 1.00 0.00 N ATOM 572 CA ASN A 65 87.644 10.000 -4.144 1.00 0.00 C ATOM 573 C ASN A 65 87.343 11.246 -3.308 1.00 0.00 C ATOM 574 O ASN A 65 87.503 11.240 -2.104 1.00 0.00 O ATOM 575 CB ASN A 65 89.050 10.074 -4.742 1.00 0.00 C ATOM 576 CG ASN A 65 90.081 9.711 -3.672 1.00 0.00 C ATOM 577 OD1 ASN A 65 90.329 10.479 -2.765 1.00 0.00 O ATOM 578 ND2 ASN A 65 90.699 8.565 -3.744 1.00 0.00 N ATOM 0 H ASN A 65 87.052 10.376 -6.159 1.00 0.00 H new ATOM 0 HA ASN A 65 87.532 9.147 -3.475 1.00 0.00 H new ATOM 0 HB2 ASN A 65 89.133 9.392 -5.588 1.00 0.00 H new ATOM 0 HB3 ASN A 65 89.243 11.077 -5.122 1.00 0.00 H new ATOM 0 HD21 ASN A 65 91.391 8.314 -3.038 1.00 0.00 H new ATOM 0 HD22 ASN A 65 90.490 7.920 -4.506 1.00 0.00 H new ATOM 585 N GLU A 66 86.898 12.312 -3.919 1.00 0.00 N ATOM 586 CA GLU A 66 86.591 13.527 -3.113 1.00 0.00 C ATOM 587 C GLU A 66 85.379 13.226 -2.247 1.00 0.00 C ATOM 588 O GLU A 66 85.406 13.395 -1.045 1.00 0.00 O ATOM 589 CB GLU A 66 86.281 14.653 -4.102 1.00 0.00 C ATOM 590 CG GLU A 66 87.375 14.732 -5.171 1.00 0.00 C ATOM 591 CD GLU A 66 88.721 15.029 -4.505 1.00 0.00 C ATOM 592 OE1 GLU A 66 89.361 14.090 -4.060 1.00 0.00 O ATOM 593 OE2 GLU A 66 89.091 16.191 -4.456 1.00 0.00 O ATOM 0 H GLU A 66 86.736 12.394 -4.923 1.00 0.00 H new ATOM 0 HA GLU A 66 87.420 13.817 -2.468 1.00 0.00 H new ATOM 0 HB2 GLU A 66 85.314 14.478 -4.573 1.00 0.00 H new ATOM 0 HB3 GLU A 66 86.210 15.603 -3.572 1.00 0.00 H new ATOM 0 HG2 GLU A 66 87.429 13.792 -5.721 1.00 0.00 H new ATOM 0 HG3 GLU A 66 87.136 15.511 -5.894 1.00 0.00 H new ATOM 600 N VAL A 67 84.318 12.749 -2.838 1.00 0.00 N ATOM 601 CA VAL A 67 83.140 12.414 -2.012 1.00 0.00 C ATOM 602 C VAL A 67 83.585 11.428 -0.932 1.00 0.00 C ATOM 603 O VAL A 67 83.428 11.670 0.246 1.00 0.00 O ATOM 604 CB VAL A 67 82.118 11.755 -2.945 1.00 0.00 C ATOM 605 CG1 VAL A 67 81.601 12.767 -3.953 1.00 0.00 C ATOM 606 CG2 VAL A 67 82.760 10.598 -3.687 1.00 0.00 C ATOM 0 H VAL A 67 84.222 12.581 -3.840 1.00 0.00 H new ATOM 0 HA VAL A 67 82.704 13.291 -1.535 1.00 0.00 H new ATOM 0 HB VAL A 67 81.288 11.386 -2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 67 80.876 12.288 -4.611 1.00 0.00 H new ATOM 0 HG12 VAL A 67 81.123 13.593 -3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 67 82.433 13.147 -4.546 1.00 0.00 H new ATOM 0 HG21 VAL A 67 82.025 10.137 -4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 67 83.599 10.965 -4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 67 83.118 9.859 -2.970 1.00 0.00 H new ATOM 616 N ALA A 68 84.187 10.330 -1.323 1.00 0.00 N ATOM 617 CA ALA A 68 84.662 9.359 -0.305 1.00 0.00 C ATOM 618 C ALA A 68 85.420 10.132 0.746 1.00 0.00 C ATOM 619 O ALA A 68 85.357 9.848 1.923 1.00 0.00 O ATOM 620 CB ALA A 68 85.591 8.405 -1.052 1.00 0.00 C ATOM 0 H ALA A 68 84.365 10.072 -2.294 1.00 0.00 H new ATOM 0 HA ALA A 68 83.857 8.808 0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 68 85.980 7.659 -0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 68 85.038 7.907 -1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 68 86.420 8.967 -1.483 1.00 0.00 H new ATOM 626 N ALA A 69 86.117 11.140 0.326 1.00 0.00 N ATOM 627 CA ALA A 69 86.853 11.958 1.300 1.00 0.00 C ATOM 628 C ALA A 69 85.880 12.440 2.372 1.00 0.00 C ATOM 629 O ALA A 69 85.868 11.929 3.473 1.00 0.00 O ATOM 630 CB ALA A 69 87.422 13.132 0.502 1.00 0.00 C ATOM 0 H ALA A 69 86.206 11.429 -0.648 1.00 0.00 H new ATOM 0 HA ALA A 69 87.650 11.410 1.802 1.00 0.00 H new ATOM 0 HB1 ALA A 69 87.985 13.786 1.168 1.00 0.00 H new ATOM 0 HB2 ALA A 69 88.082 12.755 -0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 69 86.605 13.693 0.048 1.00 0.00 H new ATOM 636 N GLN A 70 85.062 13.422 2.080 1.00 0.00 N ATOM 637 CA GLN A 70 84.122 13.886 3.144 1.00 0.00 C ATOM 638 C GLN A 70 82.767 13.200 3.126 1.00 0.00 C ATOM 639 O GLN A 70 82.203 12.943 4.172 1.00 0.00 O ATOM 640 CB GLN A 70 83.916 15.384 2.984 1.00 0.00 C ATOM 641 CG GLN A 70 84.726 16.140 4.055 1.00 0.00 C ATOM 642 CD GLN A 70 84.684 15.407 5.424 1.00 0.00 C ATOM 643 OE1 GLN A 70 83.703 14.572 5.715 1.00 0.00 O flip ATOM 644 NE2 GLN A 70 85.563 15.600 6.241 1.00 0.00 N flip ATOM 0 H GLN A 70 85.004 13.907 1.184 1.00 0.00 H new ATOM 0 HA GLN A 70 84.581 13.629 4.099 1.00 0.00 H new ATOM 0 HB2 GLN A 70 84.229 15.699 1.989 1.00 0.00 H new ATOM 0 HB3 GLN A 70 82.857 15.627 3.077 1.00 0.00 H new ATOM 0 HG2 GLN A 70 85.760 16.240 3.727 1.00 0.00 H new ATOM 0 HG3 GLN A 70 84.328 17.148 4.169 1.00 0.00 H new ATOM 0 HE21 GLN A 70 86.326 16.243 6.027 1.00 0.00 H new ATOM 0 HE22 GLN A 70 85.538 15.119 7.140 1.00 0.00 H new ATOM 653 N TYR A 71 82.200 12.946 1.972 1.00 0.00 N ATOM 654 CA TYR A 71 80.845 12.325 1.952 1.00 0.00 C ATOM 655 C TYR A 71 80.827 11.240 3.013 1.00 0.00 C ATOM 656 O TYR A 71 79.828 10.984 3.653 1.00 0.00 O ATOM 657 CB TYR A 71 80.624 11.805 0.535 1.00 0.00 C ATOM 658 CG TYR A 71 80.250 12.974 -0.364 1.00 0.00 C ATOM 659 CD1 TYR A 71 80.796 14.264 -0.154 1.00 0.00 C ATOM 660 CD2 TYR A 71 79.343 12.768 -1.410 1.00 0.00 C ATOM 661 CE1 TYR A 71 80.425 15.321 -0.994 1.00 0.00 C ATOM 662 CE2 TYR A 71 78.976 13.832 -2.243 1.00 0.00 C ATOM 663 CZ TYR A 71 79.517 15.105 -2.035 1.00 0.00 C ATOM 664 OH TYR A 71 79.151 16.153 -2.856 1.00 0.00 O ATOM 0 H TYR A 71 82.611 13.139 1.059 1.00 0.00 H new ATOM 0 HA TYR A 71 80.034 13.014 2.185 1.00 0.00 H new ATOM 0 HB2 TYR A 71 81.527 11.319 0.166 1.00 0.00 H new ATOM 0 HB3 TYR A 71 79.833 11.055 0.527 1.00 0.00 H new ATOM 0 HD1 TYR A 71 81.496 14.432 0.651 1.00 0.00 H new ATOM 0 HD2 TYR A 71 78.925 11.786 -1.575 1.00 0.00 H new ATOM 0 HE1 TYR A 71 80.841 16.305 -0.837 1.00 0.00 H new ATOM 0 HE2 TYR A 71 78.274 13.669 -3.047 1.00 0.00 H new ATOM 0 HH TYR A 71 78.181 16.282 -2.809 1.00 0.00 H new ATOM 674 N SER A 72 81.969 10.668 3.252 1.00 0.00 N ATOM 675 CA SER A 72 82.092 9.671 4.333 1.00 0.00 C ATOM 676 C SER A 72 82.628 10.390 5.579 1.00 0.00 C ATOM 677 O SER A 72 83.798 10.708 5.662 1.00 0.00 O ATOM 678 CB SER A 72 83.113 8.669 3.828 1.00 0.00 C ATOM 679 OG SER A 72 83.175 7.562 4.713 1.00 0.00 O ATOM 0 H SER A 72 82.829 10.854 2.736 1.00 0.00 H new ATOM 0 HA SER A 72 81.150 9.186 4.588 1.00 0.00 H new ATOM 0 HB2 SER A 72 82.842 8.332 2.827 1.00 0.00 H new ATOM 0 HB3 SER A 72 84.093 9.141 3.751 1.00 0.00 H new ATOM 0 HG SER A 72 83.360 7.879 5.621 1.00 0.00 H new ATOM 685 N GLU A 73 81.789 10.669 6.533 1.00 0.00 N ATOM 686 CA GLU A 73 82.250 11.391 7.758 1.00 0.00 C ATOM 687 C GLU A 73 83.194 10.512 8.578 1.00 0.00 C ATOM 688 O GLU A 73 82.979 10.286 9.751 1.00 0.00 O ATOM 689 CB GLU A 73 80.974 11.692 8.542 1.00 0.00 C ATOM 690 CG GLU A 73 80.504 13.112 8.217 1.00 0.00 C ATOM 691 CD GLU A 73 80.496 13.313 6.700 1.00 0.00 C ATOM 692 OE1 GLU A 73 79.841 12.537 6.023 1.00 0.00 O ATOM 693 OE2 GLU A 73 81.146 14.237 6.241 1.00 0.00 O ATOM 0 H GLU A 73 80.798 10.429 6.521 1.00 0.00 H new ATOM 0 HA GLU A 73 82.804 12.298 7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 73 80.197 10.972 8.285 1.00 0.00 H new ATOM 0 HB3 GLU A 73 81.159 11.594 9.612 1.00 0.00 H new ATOM 0 HG2 GLU A 73 79.505 13.277 8.622 1.00 0.00 H new ATOM 0 HG3 GLU A 73 81.163 13.841 8.688 1.00 0.00 H new ATOM 700 N ASP A 74 84.244 10.036 7.959 1.00 0.00 N ATOM 701 CA ASP A 74 85.248 9.169 8.671 1.00 0.00 C ATOM 702 C ASP A 74 86.071 8.353 7.656 1.00 0.00 C ATOM 703 O ASP A 74 86.883 8.895 6.933 1.00 0.00 O ATOM 704 CB ASP A 74 84.447 8.232 9.584 1.00 0.00 C ATOM 705 CG ASP A 74 83.205 7.729 8.848 1.00 0.00 C ATOM 706 OD1 ASP A 74 83.309 7.470 7.660 1.00 0.00 O ATOM 707 OD2 ASP A 74 82.172 7.614 9.483 1.00 0.00 O ATOM 0 H ASP A 74 84.456 10.211 6.977 1.00 0.00 H new ATOM 0 HA ASP A 74 85.949 9.774 9.246 1.00 0.00 H new ATOM 0 HB2 ASP A 74 85.067 7.389 9.889 1.00 0.00 H new ATOM 0 HB3 ASP A 74 84.154 8.757 10.493 1.00 0.00 H new ATOM 712 N LYS A 75 85.877 7.055 7.595 1.00 0.00 N ATOM 713 CA LYS A 75 86.658 6.225 6.630 1.00 0.00 C ATOM 714 C LYS A 75 86.683 6.897 5.253 1.00 0.00 C ATOM 715 O LYS A 75 87.517 7.737 4.976 1.00 0.00 O ATOM 716 CB LYS A 75 85.913 4.885 6.562 1.00 0.00 C ATOM 717 CG LYS A 75 86.597 3.858 7.463 1.00 0.00 C ATOM 718 CD LYS A 75 86.368 4.212 8.929 1.00 0.00 C ATOM 719 CE LYS A 75 86.424 2.928 9.756 1.00 0.00 C ATOM 720 NZ LYS A 75 87.204 3.291 10.974 1.00 0.00 N ATOM 0 H LYS A 75 85.213 6.539 8.172 1.00 0.00 H new ATOM 0 HA LYS A 75 87.695 6.098 6.940 1.00 0.00 H new ATOM 0 HB2 LYS A 75 84.877 5.020 6.872 1.00 0.00 H new ATOM 0 HB3 LYS A 75 85.893 4.523 5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 75 86.205 2.862 7.256 1.00 0.00 H new ATOM 0 HG3 LYS A 75 87.666 3.830 7.250 1.00 0.00 H new ATOM 0 HD2 LYS A 75 87.127 4.916 9.271 1.00 0.00 H new ATOM 0 HD3 LYS A 75 85.401 4.700 9.054 1.00 0.00 H new ATOM 0 HE2 LYS A 75 85.424 2.581 10.016 1.00 0.00 H new ATOM 0 HE3 LYS A 75 86.907 2.122 9.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 87.287 2.460 11.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 88.154 3.611 10.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 86.717 4.056 11.483 1.00 0.00 H new ATOM 734 N ALA A 76 85.771 6.539 4.389 1.00 0.00 N ATOM 735 CA ALA A 76 85.728 7.155 3.033 1.00 0.00 C ATOM 736 C ALA A 76 84.769 6.358 2.143 1.00 0.00 C ATOM 737 O ALA A 76 83.595 6.609 2.164 1.00 0.00 O ATOM 738 CB ALA A 76 87.161 7.095 2.506 1.00 0.00 C ATOM 0 H ALA A 76 85.049 5.841 4.567 1.00 0.00 H new ATOM 0 HA ALA A 76 85.368 8.184 3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 76 87.201 7.533 1.509 1.00 0.00 H new ATOM 0 HB2 ALA A 76 87.818 7.652 3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 76 87.488 6.056 2.459 1.00 0.00 H new ATOM 744 N ARG A 77 85.271 5.392 1.397 1.00 0.00 N ATOM 745 CA ARG A 77 84.418 4.518 0.499 1.00 0.00 C ATOM 746 C ARG A 77 85.196 4.203 -0.781 1.00 0.00 C ATOM 747 O ARG A 77 85.784 3.149 -0.917 1.00 0.00 O ATOM 748 CB ARG A 77 83.127 5.277 0.151 1.00 0.00 C ATOM 749 CG ARG A 77 82.278 4.434 -0.805 1.00 0.00 C ATOM 750 CD ARG A 77 81.480 3.403 0.002 1.00 0.00 C ATOM 751 NE ARG A 77 80.080 3.906 0.020 1.00 0.00 N ATOM 752 CZ ARG A 77 79.383 3.940 -1.083 1.00 0.00 C ATOM 753 NH1 ARG A 77 78.700 2.890 -1.453 1.00 0.00 N ATOM 754 NH2 ARG A 77 79.365 5.021 -1.813 1.00 0.00 N ATOM 0 H ARG A 77 86.265 5.164 1.370 1.00 0.00 H new ATOM 0 HA ARG A 77 84.169 3.586 1.006 1.00 0.00 H new ATOM 0 HB2 ARG A 77 82.564 5.493 1.059 1.00 0.00 H new ATOM 0 HB3 ARG A 77 83.369 6.235 -0.310 1.00 0.00 H new ATOM 0 HG2 ARG A 77 81.600 5.075 -1.369 1.00 0.00 H new ATOM 0 HG3 ARG A 77 82.918 3.930 -1.530 1.00 0.00 H new ATOM 0 HD2 ARG A 77 81.536 2.416 -0.458 1.00 0.00 H new ATOM 0 HD3 ARG A 77 81.875 3.306 1.013 1.00 0.00 H new ATOM 0 HE ARG A 77 79.664 4.225 0.895 1.00 0.00 H new ATOM 0 HH11 ARG A 77 78.712 2.046 -0.880 1.00 0.00 H new ATOM 0 HH12 ARG A 77 78.154 2.914 -2.315 1.00 0.00 H new ATOM 0 HH21 ARG A 77 79.896 5.842 -1.522 1.00 0.00 H new ATOM 0 HH22 ARG A 77 78.820 5.045 -2.675 1.00 0.00 H new ATOM 768 N GLN A 78 85.216 5.114 -1.716 1.00 0.00 N ATOM 769 CA GLN A 78 85.971 4.869 -2.977 1.00 0.00 C ATOM 770 C GLN A 78 87.456 4.685 -2.657 1.00 0.00 C ATOM 771 O GLN A 78 87.908 3.595 -2.368 1.00 0.00 O ATOM 772 CB GLN A 78 85.770 6.128 -3.813 1.00 0.00 C ATOM 773 CG GLN A 78 84.396 6.099 -4.489 1.00 0.00 C ATOM 774 CD GLN A 78 83.308 5.905 -3.432 1.00 0.00 C ATOM 775 OE1 GLN A 78 82.701 4.857 -3.358 1.00 0.00 O ATOM 776 NE2 GLN A 78 83.035 6.877 -2.607 1.00 0.00 N ATOM 0 H GLN A 78 84.743 6.016 -1.661 1.00 0.00 H new ATOM 0 HA GLN A 78 85.630 3.975 -3.498 1.00 0.00 H new ATOM 0 HB2 GLN A 78 85.853 7.011 -3.180 1.00 0.00 H new ATOM 0 HB3 GLN A 78 86.553 6.202 -4.567 1.00 0.00 H new ATOM 0 HG2 GLN A 78 84.227 7.029 -5.033 1.00 0.00 H new ATOM 0 HG3 GLN A 78 84.356 5.291 -5.219 1.00 0.00 H new ATOM 0 HE21 GLN A 78 83.546 7.758 -2.670 1.00 0.00 H new ATOM 0 HE22 GLN A 78 82.311 6.757 -1.899 1.00 0.00 H new ATOM 785 N GLY A 79 88.217 5.750 -2.687 1.00 0.00 N ATOM 786 CA GLY A 79 89.664 5.634 -2.368 1.00 0.00 C ATOM 787 C GLY A 79 89.802 5.032 -0.971 1.00 0.00 C ATOM 788 O GLY A 79 90.838 4.513 -0.602 1.00 0.00 O ATOM 0 H GLY A 79 87.896 6.690 -2.918 1.00 0.00 H new ATOM 0 HA2 GLY A 79 90.165 5.005 -3.103 1.00 0.00 H new ATOM 0 HA3 GLY A 79 90.141 6.613 -2.408 1.00 0.00 H new ATOM 792 N GLY A 80 88.755 5.094 -0.192 1.00 0.00 N ATOM 793 CA GLY A 80 88.806 4.522 1.181 1.00 0.00 C ATOM 794 C GLY A 80 88.296 3.082 1.153 1.00 0.00 C ATOM 795 O GLY A 80 88.186 2.445 2.180 1.00 0.00 O ATOM 0 H GLY A 80 87.864 5.518 -0.450 1.00 0.00 H new ATOM 0 HA2 GLY A 80 89.828 4.550 1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 80 88.198 5.121 1.859 1.00 0.00 H new ATOM 799 N ASP A 81 87.979 2.577 -0.017 1.00 0.00 N ATOM 800 CA ASP A 81 87.468 1.174 -0.137 1.00 0.00 C ATOM 801 C ASP A 81 88.032 0.288 0.980 1.00 0.00 C ATOM 802 O ASP A 81 89.216 0.022 1.034 1.00 0.00 O ATOM 803 CB ASP A 81 87.970 0.699 -1.502 1.00 0.00 C ATOM 804 CG ASP A 81 87.314 -0.636 -1.856 1.00 0.00 C ATOM 805 OD1 ASP A 81 87.147 -1.449 -0.961 1.00 0.00 O ATOM 806 OD2 ASP A 81 86.991 -0.825 -3.018 1.00 0.00 O ATOM 0 H ASP A 81 88.053 3.081 -0.900 1.00 0.00 H new ATOM 0 HA ASP A 81 86.383 1.123 -0.050 1.00 0.00 H new ATOM 0 HB2 ASP A 81 87.738 1.443 -2.264 1.00 0.00 H new ATOM 0 HB3 ASP A 81 89.054 0.589 -1.483 1.00 0.00 H new ATOM 811 N LEU A 82 87.189 -0.157 1.876 1.00 0.00 N ATOM 812 CA LEU A 82 87.667 -1.015 3.002 1.00 0.00 C ATOM 813 C LEU A 82 88.729 -2.002 2.511 1.00 0.00 C ATOM 814 O LEU A 82 89.774 -2.158 3.111 1.00 0.00 O ATOM 815 CB LEU A 82 86.435 -1.773 3.478 1.00 0.00 C ATOM 816 CG LEU A 82 85.967 -1.178 4.803 1.00 0.00 C ATOM 817 CD1 LEU A 82 84.628 -0.491 4.589 1.00 0.00 C ATOM 818 CD2 LEU A 82 85.815 -2.290 5.844 1.00 0.00 C ATOM 0 H LEU A 82 86.188 0.037 1.876 1.00 0.00 H new ATOM 0 HA LEU A 82 88.121 -0.422 3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 82 85.641 -1.706 2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 82 86.668 -2.831 3.602 1.00 0.00 H new ATOM 0 HG LEU A 82 86.700 -0.455 5.161 1.00 0.00 H new ATOM 0 HD11 LEU A 82 84.284 -0.062 5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 82 84.740 0.301 3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 82 83.898 -1.219 4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 82 85.481 -1.861 6.789 1.00 0.00 H new ATOM 0 HD22 LEU A 82 85.081 -3.017 5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 82 86.775 -2.785 5.990 1.00 0.00 H new ATOM 830 N GLY A 83 88.461 -2.675 1.427 1.00 0.00 N ATOM 831 CA GLY A 83 89.442 -3.660 0.894 1.00 0.00 C ATOM 832 C GLY A 83 88.815 -5.055 0.924 1.00 0.00 C ATOM 833 O GLY A 83 87.951 -5.337 1.730 1.00 0.00 O ATOM 0 H GLY A 83 87.601 -2.585 0.885 1.00 0.00 H new ATOM 0 HA2 GLY A 83 89.724 -3.396 -0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 83 90.354 -3.644 1.491 1.00 0.00 H new ATOM 837 N TRP A 84 89.242 -5.927 0.053 1.00 0.00 N ATOM 838 CA TRP A 84 88.669 -7.306 0.032 1.00 0.00 C ATOM 839 C TRP A 84 88.494 -7.823 1.463 1.00 0.00 C ATOM 840 O TRP A 84 89.448 -7.959 2.204 1.00 0.00 O ATOM 841 CB TRP A 84 89.699 -8.139 -0.731 1.00 0.00 C ATOM 842 CG TRP A 84 89.431 -8.041 -2.193 1.00 0.00 C ATOM 843 CD1 TRP A 84 89.993 -7.134 -3.005 1.00 0.00 C ATOM 844 CD2 TRP A 84 88.556 -8.857 -3.025 1.00 0.00 C ATOM 845 NE1 TRP A 84 89.520 -7.324 -4.291 1.00 0.00 N ATOM 846 CE2 TRP A 84 88.629 -8.377 -4.354 1.00 0.00 C ATOM 847 CE3 TRP A 84 87.713 -9.951 -2.759 1.00 0.00 C ATOM 848 CZ2 TRP A 84 87.892 -8.963 -5.385 1.00 0.00 C ATOM 849 CZ3 TRP A 84 86.970 -10.542 -3.795 1.00 0.00 C ATOM 850 CH2 TRP A 84 87.059 -10.050 -5.102 1.00 0.00 C ATOM 0 H TRP A 84 89.963 -5.746 -0.646 1.00 0.00 H new ATOM 0 HA TRP A 84 87.686 -7.349 -0.436 1.00 0.00 H new ATOM 0 HB2 TRP A 84 90.706 -7.784 -0.510 1.00 0.00 H new ATOM 0 HB3 TRP A 84 89.651 -9.180 -0.410 1.00 0.00 H new ATOM 0 HD1 TRP A 84 90.701 -6.377 -2.703 1.00 0.00 H new ATOM 0 HE1 TRP A 84 89.795 -6.757 -5.093 1.00 0.00 H new ATOM 0 HE3 TRP A 84 87.636 -10.339 -1.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 87.965 -8.580 -6.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 86.326 -11.382 -3.581 1.00 0.00 H new ATOM 0 HH2 TRP A 84 86.484 -10.510 -5.892 1.00 0.00 H new ATOM 861 N MET A 85 87.282 -8.105 1.861 1.00 0.00 N ATOM 862 CA MET A 85 87.050 -8.603 3.247 1.00 0.00 C ATOM 863 C MET A 85 86.242 -9.902 3.223 1.00 0.00 C ATOM 864 O MET A 85 85.274 -10.029 2.498 1.00 0.00 O ATOM 865 CB MET A 85 86.259 -7.494 3.938 1.00 0.00 C ATOM 866 CG MET A 85 86.884 -7.191 5.302 1.00 0.00 C ATOM 867 SD MET A 85 88.552 -6.527 5.068 1.00 0.00 S ATOM 868 CE MET A 85 88.631 -5.566 6.599 1.00 0.00 C ATOM 0 H MET A 85 86.444 -8.012 1.287 1.00 0.00 H new ATOM 0 HA MET A 85 87.984 -8.824 3.764 1.00 0.00 H new ATOM 0 HB2 MET A 85 86.257 -6.596 3.320 1.00 0.00 H new ATOM 0 HB3 MET A 85 85.220 -7.798 4.062 1.00 0.00 H new ATOM 0 HG2 MET A 85 86.268 -6.474 5.845 1.00 0.00 H new ATOM 0 HG3 MET A 85 86.923 -8.098 5.905 1.00 0.00 H new ATOM 0 HE1 MET A 85 89.595 -5.062 6.663 1.00 0.00 H new ATOM 0 HE2 MET A 85 87.833 -4.824 6.604 1.00 0.00 H new ATOM 0 HE3 MET A 85 88.513 -6.232 7.453 1.00 0.00 H new ATOM 878 N THR A 86 86.633 -10.862 4.016 1.00 0.00 N ATOM 879 CA THR A 86 85.896 -12.158 4.053 1.00 0.00 C ATOM 880 C THR A 86 84.892 -12.162 5.211 1.00 0.00 C ATOM 881 O THR A 86 85.103 -11.530 6.226 1.00 0.00 O ATOM 882 CB THR A 86 86.975 -13.219 4.279 1.00 0.00 C ATOM 883 OG1 THR A 86 88.090 -12.626 4.930 1.00 0.00 O ATOM 884 CG2 THR A 86 87.415 -13.797 2.934 1.00 0.00 C ATOM 0 H THR A 86 87.435 -10.804 4.643 1.00 0.00 H new ATOM 0 HA THR A 86 85.330 -12.338 3.139 1.00 0.00 H new ATOM 0 HB THR A 86 86.574 -14.019 4.901 1.00 0.00 H new ATOM 0 HG1 THR A 86 87.814 -12.285 5.806 1.00 0.00 H new ATOM 0 HG21 THR A 86 88.184 -14.553 3.097 1.00 0.00 H new ATOM 0 HG22 THR A 86 86.559 -14.252 2.436 1.00 0.00 H new ATOM 0 HG23 THR A 86 87.817 -12.999 2.309 1.00 0.00 H new ATOM 892 N ARG A 87 83.804 -12.870 5.069 1.00 0.00 N ATOM 893 CA ARG A 87 82.796 -12.910 6.167 1.00 0.00 C ATOM 894 C ARG A 87 83.483 -13.202 7.503 1.00 0.00 C ATOM 895 O ARG A 87 84.611 -13.651 7.547 1.00 0.00 O ATOM 896 CB ARG A 87 81.843 -14.046 5.794 1.00 0.00 C ATOM 897 CG ARG A 87 80.605 -13.988 6.694 1.00 0.00 C ATOM 898 CD ARG A 87 79.744 -15.231 6.462 1.00 0.00 C ATOM 899 NE ARG A 87 80.343 -16.278 7.337 1.00 0.00 N ATOM 900 CZ ARG A 87 80.316 -16.139 8.634 1.00 0.00 C ATOM 901 NH1 ARG A 87 79.191 -16.275 9.282 1.00 0.00 N ATOM 902 NH2 ARG A 87 81.414 -15.863 9.283 1.00 0.00 N ATOM 0 H ARG A 87 83.570 -13.421 4.243 1.00 0.00 H new ATOM 0 HA ARG A 87 82.271 -11.961 6.279 1.00 0.00 H new ATOM 0 HB2 ARG A 87 81.550 -13.961 4.748 1.00 0.00 H new ATOM 0 HB3 ARG A 87 82.344 -15.008 5.907 1.00 0.00 H new ATOM 0 HG2 ARG A 87 80.906 -13.931 7.740 1.00 0.00 H new ATOM 0 HG3 ARG A 87 80.028 -13.088 6.479 1.00 0.00 H new ATOM 0 HD2 ARG A 87 78.702 -15.045 6.724 1.00 0.00 H new ATOM 0 HD3 ARG A 87 79.760 -15.534 5.415 1.00 0.00 H new ATOM 0 HE ARG A 87 80.774 -17.104 6.922 1.00 0.00 H new ATOM 0 HH11 ARG A 87 78.333 -16.490 8.774 1.00 0.00 H new ATOM 0 HH12 ARG A 87 79.170 -16.166 10.296 1.00 0.00 H new ATOM 0 HH21 ARG A 87 82.293 -15.756 8.776 1.00 0.00 H new ATOM 0 HH22 ARG A 87 81.393 -15.754 10.297 1.00 0.00 H new ATOM 916 N GLY A 88 82.813 -12.949 8.595 1.00 0.00 N ATOM 917 CA GLY A 88 83.431 -13.212 9.925 1.00 0.00 C ATOM 918 C GLY A 88 84.280 -12.007 10.334 1.00 0.00 C ATOM 919 O GLY A 88 84.129 -11.467 11.413 1.00 0.00 O ATOM 0 H GLY A 88 81.866 -12.572 8.623 1.00 0.00 H new ATOM 0 HA2 GLY A 88 82.656 -13.395 10.669 1.00 0.00 H new ATOM 0 HA3 GLY A 88 84.049 -14.109 9.881 1.00 0.00 H new ATOM 923 N SER A 89 85.171 -11.581 9.482 1.00 0.00 N ATOM 924 CA SER A 89 86.027 -10.409 9.822 1.00 0.00 C ATOM 925 C SER A 89 85.416 -9.127 9.253 1.00 0.00 C ATOM 926 O SER A 89 86.092 -8.322 8.644 1.00 0.00 O ATOM 927 CB SER A 89 87.376 -10.697 9.162 1.00 0.00 C ATOM 928 OG SER A 89 88.391 -9.953 9.819 1.00 0.00 O ATOM 0 H SER A 89 85.344 -11.993 8.565 1.00 0.00 H new ATOM 0 HA SER A 89 86.122 -10.266 10.898 1.00 0.00 H new ATOM 0 HB2 SER A 89 87.599 -11.763 9.215 1.00 0.00 H new ATOM 0 HB3 SER A 89 87.341 -10.431 8.106 1.00 0.00 H new ATOM 0 HG SER A 89 89.256 -10.138 9.398 1.00 0.00 H new ATOM 934 N MET A 90 84.140 -8.932 9.445 1.00 0.00 N ATOM 935 CA MET A 90 83.487 -7.702 8.914 1.00 0.00 C ATOM 936 C MET A 90 82.243 -7.364 9.740 1.00 0.00 C ATOM 937 O MET A 90 81.132 -7.392 9.249 1.00 0.00 O ATOM 938 CB MET A 90 83.101 -8.047 7.476 1.00 0.00 C ATOM 939 CG MET A 90 83.792 -7.076 6.517 1.00 0.00 C ATOM 940 SD MET A 90 82.570 -6.375 5.382 1.00 0.00 S ATOM 941 CE MET A 90 82.289 -7.868 4.400 1.00 0.00 C ATOM 0 H MET A 90 83.522 -9.570 9.946 1.00 0.00 H new ATOM 0 HA MET A 90 84.143 -6.833 8.961 1.00 0.00 H new ATOM 0 HB2 MET A 90 83.392 -9.072 7.246 1.00 0.00 H new ATOM 0 HB3 MET A 90 82.019 -7.988 7.354 1.00 0.00 H new ATOM 0 HG2 MET A 90 84.281 -6.280 7.079 1.00 0.00 H new ATOM 0 HG3 MET A 90 84.570 -7.594 5.956 1.00 0.00 H new ATOM 0 HE1 MET A 90 82.321 -7.617 3.340 1.00 0.00 H new ATOM 0 HE2 MET A 90 83.064 -8.601 4.623 1.00 0.00 H new ATOM 0 HE3 MET A 90 81.313 -8.286 4.645 1.00 0.00 H new ATOM 951 N VAL A 91 82.423 -7.042 10.991 1.00 0.00 N ATOM 952 CA VAL A 91 81.251 -6.698 11.849 1.00 0.00 C ATOM 953 C VAL A 91 80.226 -7.836 11.814 1.00 0.00 C ATOM 954 O VAL A 91 80.577 -8.999 11.836 1.00 0.00 O ATOM 955 CB VAL A 91 80.663 -5.414 11.247 1.00 0.00 C ATOM 956 CG1 VAL A 91 79.881 -4.660 12.325 1.00 0.00 C ATOM 957 CG2 VAL A 91 81.789 -4.516 10.724 1.00 0.00 C ATOM 0 H VAL A 91 83.329 -7.002 11.457 1.00 0.00 H new ATOM 0 HA VAL A 91 81.532 -6.554 12.892 1.00 0.00 H new ATOM 0 HB VAL A 91 80.001 -5.679 10.423 1.00 0.00 H new ATOM 0 HG11 VAL A 91 79.462 -3.748 11.900 1.00 0.00 H new ATOM 0 HG12 VAL A 91 79.074 -5.291 12.697 1.00 0.00 H new ATOM 0 HG13 VAL A 91 80.549 -4.404 13.147 1.00 0.00 H new ATOM 0 HG21 VAL A 91 81.362 -3.608 10.299 1.00 0.00 H new ATOM 0 HG22 VAL A 91 82.456 -4.254 11.545 1.00 0.00 H new ATOM 0 HG23 VAL A 91 82.351 -5.047 9.956 1.00 0.00 H new ATOM 967 N GLY A 92 78.962 -7.515 11.762 1.00 0.00 N ATOM 968 CA GLY A 92 77.925 -8.584 11.726 1.00 0.00 C ATOM 969 C GLY A 92 77.019 -8.372 10.509 1.00 0.00 C ATOM 970 O GLY A 92 77.262 -8.928 9.457 1.00 0.00 O ATOM 0 H GLY A 92 78.603 -6.560 11.743 1.00 0.00 H new ATOM 0 HA2 GLY A 92 78.399 -9.564 11.674 1.00 0.00 H new ATOM 0 HA3 GLY A 92 77.334 -8.564 12.642 1.00 0.00 H new ATOM 974 N PRO A 93 75.997 -7.571 10.689 1.00 0.00 N ATOM 975 CA PRO A 93 75.049 -7.287 9.587 1.00 0.00 C ATOM 976 C PRO A 93 75.772 -6.614 8.415 1.00 0.00 C ATOM 977 O PRO A 93 75.398 -6.770 7.270 1.00 0.00 O ATOM 978 CB PRO A 93 74.049 -6.329 10.241 1.00 0.00 C ATOM 979 CG PRO A 93 74.469 -6.099 11.707 1.00 0.00 C ATOM 980 CD PRO A 93 75.736 -6.915 11.993 1.00 0.00 C ATOM 0 HA PRO A 93 74.580 -8.179 9.172 1.00 0.00 H new ATOM 0 HB2 PRO A 93 74.025 -5.382 9.702 1.00 0.00 H new ATOM 0 HB3 PRO A 93 73.043 -6.746 10.197 1.00 0.00 H new ATOM 0 HG2 PRO A 93 74.654 -5.040 11.885 1.00 0.00 H new ATOM 0 HG3 PRO A 93 73.667 -6.399 12.381 1.00 0.00 H new ATOM 0 HD2 PRO A 93 76.567 -6.280 12.301 1.00 0.00 H new ATOM 0 HD3 PRO A 93 75.579 -7.643 12.789 1.00 0.00 H new ATOM 988 N PHE A 94 76.804 -5.866 8.695 1.00 0.00 N ATOM 989 CA PHE A 94 77.550 -5.182 7.600 1.00 0.00 C ATOM 990 C PHE A 94 78.006 -6.203 6.552 1.00 0.00 C ATOM 991 O PHE A 94 78.071 -5.910 5.375 1.00 0.00 O ATOM 992 CB PHE A 94 78.757 -4.540 8.286 1.00 0.00 C ATOM 993 CG PHE A 94 79.407 -3.552 7.349 1.00 0.00 C ATOM 994 CD1 PHE A 94 80.088 -4.006 6.213 1.00 0.00 C ATOM 995 CD2 PHE A 94 79.328 -2.179 7.615 1.00 0.00 C ATOM 996 CE1 PHE A 94 80.693 -3.088 5.346 1.00 0.00 C ATOM 997 CE2 PHE A 94 79.932 -1.262 6.747 1.00 0.00 C ATOM 998 CZ PHE A 94 80.613 -1.717 5.612 1.00 0.00 C ATOM 0 H PHE A 94 77.163 -5.699 9.635 1.00 0.00 H new ATOM 0 HA PHE A 94 76.938 -4.446 7.079 1.00 0.00 H new ATOM 0 HB2 PHE A 94 78.443 -4.037 9.200 1.00 0.00 H new ATOM 0 HB3 PHE A 94 79.474 -5.308 8.575 1.00 0.00 H new ATOM 0 HD1 PHE A 94 80.147 -5.064 6.006 1.00 0.00 H new ATOM 0 HD2 PHE A 94 78.801 -1.828 8.490 1.00 0.00 H new ATOM 0 HE1 PHE A 94 81.221 -3.438 4.472 1.00 0.00 H new ATOM 0 HE2 PHE A 94 79.873 -0.203 6.953 1.00 0.00 H new ATOM 0 HZ PHE A 94 81.077 -1.009 4.941 1.00 0.00 H new ATOM 1008 N GLN A 95 78.328 -7.398 6.970 1.00 0.00 N ATOM 1009 CA GLN A 95 78.785 -8.428 5.994 1.00 0.00 C ATOM 1010 C GLN A 95 77.589 -9.217 5.437 1.00 0.00 C ATOM 1011 O GLN A 95 77.583 -9.623 4.292 1.00 0.00 O ATOM 1012 CB GLN A 95 79.733 -9.331 6.798 1.00 0.00 C ATOM 1013 CG GLN A 95 78.966 -10.507 7.408 1.00 0.00 C ATOM 1014 CD GLN A 95 79.894 -11.310 8.320 1.00 0.00 C ATOM 1015 OE1 GLN A 95 80.959 -10.848 8.682 1.00 0.00 O ATOM 1016 NE2 GLN A 95 79.534 -12.502 8.710 1.00 0.00 N ATOM 0 H GLN A 95 78.294 -7.704 7.942 1.00 0.00 H new ATOM 0 HA GLN A 95 79.282 -7.992 5.127 1.00 0.00 H new ATOM 0 HB2 GLN A 95 80.526 -9.704 6.150 1.00 0.00 H new ATOM 0 HB3 GLN A 95 80.212 -8.753 7.588 1.00 0.00 H new ATOM 0 HG2 GLN A 95 78.110 -10.141 7.975 1.00 0.00 H new ATOM 0 HG3 GLN A 95 78.574 -11.147 6.618 1.00 0.00 H new ATOM 0 HE21 GLN A 95 78.641 -12.890 8.407 1.00 0.00 H new ATOM 0 HE22 GLN A 95 80.146 -13.046 9.318 1.00 0.00 H new ATOM 1025 N GLU A 96 76.583 -9.442 6.236 1.00 0.00 N ATOM 1026 CA GLU A 96 75.402 -10.212 5.745 1.00 0.00 C ATOM 1027 C GLU A 96 74.558 -9.356 4.789 1.00 0.00 C ATOM 1028 O GLU A 96 73.905 -9.864 3.900 1.00 0.00 O ATOM 1029 CB GLU A 96 74.609 -10.581 7.007 1.00 0.00 C ATOM 1030 CG GLU A 96 73.698 -9.420 7.417 1.00 0.00 C ATOM 1031 CD GLU A 96 72.384 -9.501 6.637 1.00 0.00 C ATOM 1032 OE1 GLU A 96 72.318 -10.286 5.706 1.00 0.00 O ATOM 1033 OE2 GLU A 96 71.466 -8.777 6.985 1.00 0.00 O ATOM 0 H GLU A 96 76.526 -9.128 7.205 1.00 0.00 H new ATOM 0 HA GLU A 96 75.695 -11.099 5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 96 74.012 -11.474 6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 96 75.295 -10.819 7.820 1.00 0.00 H new ATOM 0 HG2 GLU A 96 73.500 -9.460 8.488 1.00 0.00 H new ATOM 0 HG3 GLU A 96 74.192 -8.469 7.219 1.00 0.00 H new ATOM 1040 N ALA A 97 74.554 -8.065 4.978 1.00 0.00 N ATOM 1041 CA ALA A 97 73.739 -7.181 4.092 1.00 0.00 C ATOM 1042 C ALA A 97 74.544 -6.730 2.869 1.00 0.00 C ATOM 1043 O ALA A 97 73.993 -6.467 1.819 1.00 0.00 O ATOM 1044 CB ALA A 97 73.379 -5.977 4.965 1.00 0.00 C ATOM 0 H ALA A 97 75.079 -7.582 5.707 1.00 0.00 H new ATOM 0 HA ALA A 97 72.859 -7.696 3.707 1.00 0.00 H new ATOM 0 HB1 ALA A 97 72.777 -5.275 4.387 1.00 0.00 H new ATOM 0 HB2 ALA A 97 72.811 -6.313 5.832 1.00 0.00 H new ATOM 0 HB3 ALA A 97 74.292 -5.483 5.298 1.00 0.00 H new ATOM 1050 N ALA A 98 75.833 -6.613 3.002 1.00 0.00 N ATOM 1051 CA ALA A 98 76.661 -6.149 1.848 1.00 0.00 C ATOM 1052 C ALA A 98 77.450 -7.300 1.216 1.00 0.00 C ATOM 1053 O ALA A 98 77.483 -7.450 0.010 1.00 0.00 O ATOM 1054 CB ALA A 98 77.623 -5.130 2.452 1.00 0.00 C ATOM 0 H ALA A 98 76.352 -6.817 3.856 1.00 0.00 H new ATOM 0 HA ALA A 98 76.040 -5.735 1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 98 78.273 -4.735 1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 98 77.055 -4.314 2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 98 78.229 -5.612 3.219 1.00 0.00 H new ATOM 1060 N PHE A 99 78.101 -8.101 2.011 1.00 0.00 N ATOM 1061 CA PHE A 99 78.902 -9.217 1.444 1.00 0.00 C ATOM 1062 C PHE A 99 77.994 -10.409 1.097 1.00 0.00 C ATOM 1063 O PHE A 99 78.348 -11.258 0.303 1.00 0.00 O ATOM 1064 CB PHE A 99 79.910 -9.549 2.552 1.00 0.00 C ATOM 1065 CG PHE A 99 80.218 -11.020 2.553 1.00 0.00 C ATOM 1066 CD1 PHE A 99 79.304 -11.911 3.110 1.00 0.00 C ATOM 1067 CD2 PHE A 99 81.410 -11.485 1.995 1.00 0.00 C ATOM 1068 CE1 PHE A 99 79.579 -13.283 3.112 1.00 0.00 C ATOM 1069 CE2 PHE A 99 81.690 -12.853 1.995 1.00 0.00 C ATOM 1070 CZ PHE A 99 80.775 -13.754 2.553 1.00 0.00 C ATOM 0 H PHE A 99 78.112 -8.030 3.028 1.00 0.00 H new ATOM 0 HA PHE A 99 79.404 -8.961 0.511 1.00 0.00 H new ATOM 0 HB2 PHE A 99 80.827 -8.979 2.402 1.00 0.00 H new ATOM 0 HB3 PHE A 99 79.506 -9.254 3.521 1.00 0.00 H new ATOM 0 HD1 PHE A 99 78.384 -11.543 3.540 1.00 0.00 H new ATOM 0 HD2 PHE A 99 82.114 -10.788 1.564 1.00 0.00 H new ATOM 0 HE1 PHE A 99 78.872 -13.977 3.543 1.00 0.00 H new ATOM 0 HE2 PHE A 99 82.612 -13.216 1.565 1.00 0.00 H new ATOM 0 HZ PHE A 99 80.991 -14.812 2.553 1.00 0.00 H new ATOM 1080 N ALA A 100 76.824 -10.474 1.672 1.00 0.00 N ATOM 1081 CA ALA A 100 75.903 -11.604 1.355 1.00 0.00 C ATOM 1082 C ALA A 100 75.022 -11.225 0.162 1.00 0.00 C ATOM 1083 O ALA A 100 74.803 -12.008 -0.740 1.00 0.00 O ATOM 1084 CB ALA A 100 75.054 -11.793 2.611 1.00 0.00 C ATOM 0 H ALA A 100 76.466 -9.796 2.345 1.00 0.00 H new ATOM 0 HA ALA A 100 76.436 -12.517 1.090 1.00 0.00 H new ATOM 0 HB1 ALA A 100 74.350 -12.610 2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 100 75.701 -12.029 3.456 1.00 0.00 H new ATOM 0 HB3 ALA A 100 74.505 -10.875 2.820 1.00 0.00 H new ATOM 1090 N LEU A 101 74.527 -10.019 0.155 1.00 0.00 N ATOM 1091 CA LEU A 101 73.666 -9.560 -0.972 1.00 0.00 C ATOM 1092 C LEU A 101 74.531 -9.330 -2.218 1.00 0.00 C ATOM 1093 O LEU A 101 75.742 -9.347 -2.132 1.00 0.00 O ATOM 1094 CB LEU A 101 73.067 -8.244 -0.470 1.00 0.00 C ATOM 1095 CG LEU A 101 71.807 -8.540 0.346 1.00 0.00 C ATOM 1096 CD1 LEU A 101 71.382 -7.280 1.102 1.00 0.00 C ATOM 1097 CD2 LEU A 101 70.680 -8.980 -0.589 1.00 0.00 C ATOM 0 H LEU A 101 74.683 -9.326 0.887 1.00 0.00 H new ATOM 0 HA LEU A 101 72.897 -10.280 -1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 101 73.794 -7.711 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 101 72.825 -7.597 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 101 72.016 -9.338 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 101 70.484 -7.490 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 101 72.184 -6.970 1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 101 71.174 -6.481 0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 101 69.784 -9.190 -0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 101 70.469 -8.185 -1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 101 70.983 -9.879 -1.126 1.00 0.00 H new ATOM 1109 N PRO A 102 73.890 -9.116 -3.341 1.00 0.00 N ATOM 1110 CA PRO A 102 74.631 -8.878 -4.599 1.00 0.00 C ATOM 1111 C PRO A 102 75.671 -7.773 -4.395 1.00 0.00 C ATOM 1112 O PRO A 102 75.450 -6.826 -3.669 1.00 0.00 O ATOM 1113 CB PRO A 102 73.522 -8.443 -5.561 1.00 0.00 C ATOM 1114 CG PRO A 102 72.179 -8.463 -4.803 1.00 0.00 C ATOM 1115 CD PRO A 102 72.410 -9.091 -3.421 1.00 0.00 C ATOM 0 HA PRO A 102 75.189 -9.741 -4.962 1.00 0.00 H new ATOM 0 HB2 PRO A 102 73.725 -7.443 -5.945 1.00 0.00 H new ATOM 0 HB3 PRO A 102 73.482 -9.113 -6.420 1.00 0.00 H new ATOM 0 HG2 PRO A 102 71.788 -7.451 -4.699 1.00 0.00 H new ATOM 0 HG3 PRO A 102 71.438 -9.036 -5.360 1.00 0.00 H new ATOM 0 HD2 PRO A 102 71.968 -8.495 -2.622 1.00 0.00 H new ATOM 0 HD3 PRO A 102 71.980 -10.090 -3.349 1.00 0.00 H new ATOM 1123 N VAL A 103 76.809 -7.893 -5.023 1.00 0.00 N ATOM 1124 CA VAL A 103 77.860 -6.875 -4.866 1.00 0.00 C ATOM 1125 C VAL A 103 77.327 -5.486 -5.237 1.00 0.00 C ATOM 1126 O VAL A 103 76.137 -5.248 -5.238 1.00 0.00 O ATOM 1127 CB VAL A 103 78.936 -7.337 -5.840 1.00 0.00 C ATOM 1128 CG1 VAL A 103 79.600 -8.606 -5.306 1.00 0.00 C ATOM 1129 CG2 VAL A 103 78.314 -7.629 -7.207 1.00 0.00 C ATOM 0 H VAL A 103 77.048 -8.666 -5.644 1.00 0.00 H new ATOM 0 HA VAL A 103 78.228 -6.783 -3.844 1.00 0.00 H new ATOM 0 HB VAL A 103 79.681 -6.549 -5.945 1.00 0.00 H new ATOM 0 HG11 VAL A 103 80.370 -8.935 -6.004 1.00 0.00 H new ATOM 0 HG12 VAL A 103 80.054 -8.399 -4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 103 78.851 -9.390 -5.196 1.00 0.00 H new ATOM 0 HG21 VAL A 103 79.091 -7.959 -7.897 1.00 0.00 H new ATOM 0 HG22 VAL A 103 77.563 -8.412 -7.105 1.00 0.00 H new ATOM 0 HG23 VAL A 103 77.845 -6.724 -7.594 1.00 0.00 H new ATOM 1139 N SER A 104 78.204 -4.570 -5.547 1.00 0.00 N ATOM 1140 CA SER A 104 77.759 -3.194 -5.920 1.00 0.00 C ATOM 1141 C SER A 104 76.924 -2.568 -4.798 1.00 0.00 C ATOM 1142 O SER A 104 76.441 -3.247 -3.914 1.00 0.00 O ATOM 1143 CB SER A 104 76.903 -3.377 -7.174 1.00 0.00 C ATOM 1144 OG SER A 104 77.738 -3.718 -8.271 1.00 0.00 O ATOM 0 H SER A 104 79.214 -4.715 -5.558 1.00 0.00 H new ATOM 0 HA SER A 104 78.606 -2.530 -6.090 1.00 0.00 H new ATOM 0 HB2 SER A 104 76.162 -4.159 -7.010 1.00 0.00 H new ATOM 0 HB3 SER A 104 76.356 -2.460 -7.391 1.00 0.00 H new ATOM 0 HG SER A 104 77.190 -3.837 -9.075 1.00 0.00 H new ATOM 1150 N GLY A 105 76.750 -1.272 -4.832 1.00 0.00 N ATOM 1151 CA GLY A 105 75.946 -0.592 -3.777 1.00 0.00 C ATOM 1152 C GLY A 105 75.690 0.861 -4.189 1.00 0.00 C ATOM 1153 O GLY A 105 74.918 1.130 -5.086 1.00 0.00 O ATOM 0 H GLY A 105 77.132 -0.655 -5.548 1.00 0.00 H new ATOM 0 HA2 GLY A 105 74.999 -1.113 -3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 105 76.475 -0.624 -2.824 1.00 0.00 H new ATOM 1157 N MET A 106 76.332 1.800 -3.543 1.00 0.00 N ATOM 1158 CA MET A 106 76.128 3.232 -3.902 1.00 0.00 C ATOM 1159 C MET A 106 74.659 3.632 -3.716 1.00 0.00 C ATOM 1160 O MET A 106 74.301 4.250 -2.733 1.00 0.00 O ATOM 1161 CB MET A 106 76.543 3.335 -5.371 1.00 0.00 C ATOM 1162 CG MET A 106 76.465 4.793 -5.823 1.00 0.00 C ATOM 1163 SD MET A 106 77.213 4.954 -7.464 1.00 0.00 S ATOM 1164 CE MET A 106 76.372 3.551 -8.237 1.00 0.00 C ATOM 0 H MET A 106 76.990 1.635 -2.781 1.00 0.00 H new ATOM 0 HA MET A 106 76.710 3.902 -3.269 1.00 0.00 H new ATOM 0 HB2 MET A 106 77.557 2.957 -5.501 1.00 0.00 H new ATOM 0 HB3 MET A 106 75.891 2.717 -5.988 1.00 0.00 H new ATOM 0 HG2 MET A 106 75.426 5.122 -5.851 1.00 0.00 H new ATOM 0 HG3 MET A 106 76.983 5.435 -5.110 1.00 0.00 H new ATOM 0 HE1 MET A 106 76.400 3.662 -9.321 1.00 0.00 H new ATOM 0 HE2 MET A 106 76.874 2.625 -7.954 1.00 0.00 H new ATOM 0 HE3 MET A 106 75.335 3.519 -7.902 1.00 0.00 H new ATOM 1174 N ASP A 107 73.803 3.294 -4.644 1.00 0.00 N ATOM 1175 CA ASP A 107 72.368 3.674 -4.491 1.00 0.00 C ATOM 1176 C ASP A 107 71.516 3.083 -5.622 1.00 0.00 C ATOM 1177 O ASP A 107 70.772 3.786 -6.277 1.00 0.00 O ATOM 1178 CB ASP A 107 72.358 5.200 -4.562 1.00 0.00 C ATOM 1179 CG ASP A 107 72.596 5.646 -6.007 1.00 0.00 C ATOM 1180 OD1 ASP A 107 73.188 4.883 -6.752 1.00 0.00 O ATOM 1181 OD2 ASP A 107 72.180 6.742 -6.343 1.00 0.00 O ATOM 0 H ASP A 107 74.032 2.777 -5.493 1.00 0.00 H new ATOM 0 HA ASP A 107 71.948 3.296 -3.559 1.00 0.00 H new ATOM 0 HB2 ASP A 107 71.403 5.585 -4.204 1.00 0.00 H new ATOM 0 HB3 ASP A 107 73.131 5.610 -3.912 1.00 0.00 H new ATOM 1186 N LYS A 108 71.608 1.803 -5.852 1.00 0.00 N ATOM 1187 CA LYS A 108 70.794 1.184 -6.932 1.00 0.00 C ATOM 1188 C LYS A 108 71.021 -0.334 -6.975 1.00 0.00 C ATOM 1189 O LYS A 108 70.089 -1.094 -6.804 1.00 0.00 O ATOM 1190 CB LYS A 108 71.266 1.847 -8.220 1.00 0.00 C ATOM 1191 CG LYS A 108 70.105 2.614 -8.857 1.00 0.00 C ATOM 1192 CD LYS A 108 69.346 1.689 -9.811 1.00 0.00 C ATOM 1193 CE LYS A 108 69.558 2.156 -11.253 1.00 0.00 C ATOM 1194 NZ LYS A 108 70.338 1.062 -11.897 1.00 0.00 N ATOM 0 H LYS A 108 72.211 1.160 -5.339 1.00 0.00 H new ATOM 0 HA LYS A 108 69.725 1.330 -6.775 1.00 0.00 H new ATOM 0 HB2 LYS A 108 72.092 2.526 -8.010 1.00 0.00 H new ATOM 0 HB3 LYS A 108 71.641 1.094 -8.913 1.00 0.00 H new ATOM 0 HG2 LYS A 108 69.433 2.987 -8.084 1.00 0.00 H new ATOM 0 HG3 LYS A 108 70.482 3.482 -9.398 1.00 0.00 H new ATOM 0 HD2 LYS A 108 69.696 0.663 -9.695 1.00 0.00 H new ATOM 0 HD3 LYS A 108 68.283 1.693 -9.569 1.00 0.00 H new ATOM 0 HE2 LYS A 108 68.607 2.315 -11.761 1.00 0.00 H new ATOM 0 HE3 LYS A 108 70.100 3.101 -11.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 70.524 1.307 -12.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 71.241 0.938 -11.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 69.794 0.177 -11.855 1.00 0.00 H new ATOM 1208 N PRO A 109 72.252 -0.741 -7.195 1.00 0.00 N ATOM 1209 CA PRO A 109 72.569 -2.188 -7.245 1.00 0.00 C ATOM 1210 C PRO A 109 72.158 -2.870 -5.938 1.00 0.00 C ATOM 1211 O PRO A 109 71.230 -2.446 -5.277 1.00 0.00 O ATOM 1212 CB PRO A 109 74.089 -2.195 -7.413 1.00 0.00 C ATOM 1213 CG PRO A 109 74.591 -0.739 -7.448 1.00 0.00 C ATOM 1214 CD PRO A 109 73.381 0.202 -7.401 1.00 0.00 C ATOM 0 HA PRO A 109 72.048 -2.724 -8.038 1.00 0.00 H new ATOM 0 HB2 PRO A 109 74.557 -2.736 -6.591 1.00 0.00 H new ATOM 0 HB3 PRO A 109 74.365 -2.712 -8.332 1.00 0.00 H new ATOM 0 HG2 PRO A 109 75.251 -0.547 -6.602 1.00 0.00 H new ATOM 0 HG3 PRO A 109 75.172 -0.562 -8.353 1.00 0.00 H new ATOM 0 HD2 PRO A 109 73.460 0.925 -6.589 1.00 0.00 H new ATOM 0 HD3 PRO A 109 73.272 0.770 -8.325 1.00 0.00 H new ATOM 1222 N VAL A 110 72.847 -3.916 -5.559 1.00 0.00 N ATOM 1223 CA VAL A 110 72.505 -4.627 -4.289 1.00 0.00 C ATOM 1224 C VAL A 110 70.979 -4.680 -4.108 1.00 0.00 C ATOM 1225 O VAL A 110 70.237 -4.589 -5.066 1.00 0.00 O ATOM 1226 CB VAL A 110 73.190 -3.799 -3.194 1.00 0.00 C ATOM 1227 CG1 VAL A 110 72.361 -2.552 -2.881 1.00 0.00 C ATOM 1228 CG2 VAL A 110 73.357 -4.643 -1.928 1.00 0.00 C ATOM 0 H VAL A 110 73.634 -4.310 -6.075 1.00 0.00 H new ATOM 0 HA VAL A 110 72.840 -5.664 -4.270 1.00 0.00 H new ATOM 0 HB VAL A 110 74.173 -3.490 -3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 110 72.856 -1.972 -2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 110 72.264 -1.944 -3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 110 71.371 -2.850 -2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 110 73.844 -4.048 -1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 110 72.378 -4.966 -1.574 1.00 0.00 H new ATOM 0 HG23 VAL A 110 73.968 -5.517 -2.152 1.00 0.00 H new ATOM 1238 N PHE A 111 70.495 -4.834 -2.902 1.00 0.00 N ATOM 1239 CA PHE A 111 69.017 -4.896 -2.703 1.00 0.00 C ATOM 1240 C PHE A 111 68.576 -3.981 -1.554 1.00 0.00 C ATOM 1241 O PHE A 111 67.467 -3.484 -1.542 1.00 0.00 O ATOM 1242 CB PHE A 111 68.729 -6.357 -2.358 1.00 0.00 C ATOM 1243 CG PHE A 111 68.087 -7.038 -3.543 1.00 0.00 C ATOM 1244 CD1 PHE A 111 68.833 -7.272 -4.705 1.00 0.00 C ATOM 1245 CD2 PHE A 111 66.747 -7.439 -3.478 1.00 0.00 C ATOM 1246 CE1 PHE A 111 68.238 -7.905 -5.802 1.00 0.00 C ATOM 1247 CE2 PHE A 111 66.152 -8.071 -4.577 1.00 0.00 C ATOM 1248 CZ PHE A 111 66.898 -8.306 -5.738 1.00 0.00 C ATOM 0 H PHE A 111 71.054 -4.919 -2.053 1.00 0.00 H new ATOM 0 HA PHE A 111 68.476 -4.562 -3.588 1.00 0.00 H new ATOM 0 HB2 PHE A 111 69.654 -6.867 -2.089 1.00 0.00 H new ATOM 0 HB3 PHE A 111 68.070 -6.414 -1.492 1.00 0.00 H new ATOM 0 HD1 PHE A 111 69.867 -6.964 -4.754 1.00 0.00 H new ATOM 0 HD2 PHE A 111 66.173 -7.261 -2.581 1.00 0.00 H new ATOM 0 HE1 PHE A 111 68.813 -8.084 -6.699 1.00 0.00 H new ATOM 0 HE2 PHE A 111 65.117 -8.377 -4.529 1.00 0.00 H new ATOM 0 HZ PHE A 111 66.440 -8.797 -6.584 1.00 0.00 H new ATOM 1258 N THR A 112 69.422 -3.761 -0.586 1.00 0.00 N ATOM 1259 CA THR A 112 69.025 -2.884 0.557 1.00 0.00 C ATOM 1260 C THR A 112 69.532 -1.459 0.356 1.00 0.00 C ATOM 1261 O THR A 112 70.234 -1.160 -0.590 1.00 0.00 O ATOM 1262 CB THR A 112 69.684 -3.495 1.795 1.00 0.00 C ATOM 1263 OG1 THR A 112 69.546 -2.599 2.888 1.00 0.00 O ATOM 1264 CG2 THR A 112 71.174 -3.747 1.527 1.00 0.00 C ATOM 0 H THR A 112 70.365 -4.146 -0.534 1.00 0.00 H new ATOM 0 HA THR A 112 67.940 -2.829 0.649 1.00 0.00 H new ATOM 0 HB THR A 112 69.199 -4.443 2.029 1.00 0.00 H new ATOM 0 HG1 THR A 112 69.965 -2.987 3.684 1.00 0.00 H new ATOM 0 HG21 THR A 112 71.635 -4.182 2.414 1.00 0.00 H new ATOM 0 HG22 THR A 112 71.282 -4.434 0.688 1.00 0.00 H new ATOM 0 HG23 THR A 112 71.665 -2.804 1.289 1.00 0.00 H new ATOM 1272 N ASP A 113 69.197 -0.583 1.262 1.00 0.00 N ATOM 1273 CA ASP A 113 69.675 0.824 1.153 1.00 0.00 C ATOM 1274 C ASP A 113 71.130 0.878 1.623 1.00 0.00 C ATOM 1275 O ASP A 113 71.481 0.229 2.585 1.00 0.00 O ATOM 1276 CB ASP A 113 68.773 1.634 2.084 1.00 0.00 C ATOM 1277 CG ASP A 113 68.889 1.089 3.509 1.00 0.00 C ATOM 1278 OD1 ASP A 113 68.350 0.024 3.761 1.00 0.00 O ATOM 1279 OD2 ASP A 113 69.517 1.746 4.323 1.00 0.00 O ATOM 0 H ASP A 113 68.612 -0.781 2.074 1.00 0.00 H new ATOM 0 HA ASP A 113 69.634 1.214 0.136 1.00 0.00 H new ATOM 0 HB2 ASP A 113 69.059 2.685 2.061 1.00 0.00 H new ATOM 0 HB3 ASP A 113 67.739 1.578 1.745 1.00 0.00 H new ATOM 1284 N PRO A 114 71.945 1.618 0.920 1.00 0.00 N ATOM 1285 CA PRO A 114 73.373 1.702 1.281 1.00 0.00 C ATOM 1286 C PRO A 114 73.594 2.262 2.699 1.00 0.00 C ATOM 1287 O PRO A 114 74.188 1.591 3.512 1.00 0.00 O ATOM 1288 CB PRO A 114 73.952 2.609 0.195 1.00 0.00 C ATOM 1289 CG PRO A 114 72.811 3.023 -0.758 1.00 0.00 C ATOM 1290 CD PRO A 114 71.498 2.397 -0.260 1.00 0.00 C ATOM 0 HA PRO A 114 73.857 0.726 1.319 1.00 0.00 H new ATOM 0 HB2 PRO A 114 74.410 3.491 0.643 1.00 0.00 H new ATOM 0 HB3 PRO A 114 74.735 2.088 -0.356 1.00 0.00 H new ATOM 0 HG2 PRO A 114 72.723 4.109 -0.792 1.00 0.00 H new ATOM 0 HG3 PRO A 114 73.027 2.689 -1.773 1.00 0.00 H new ATOM 0 HD2 PRO A 114 70.762 3.155 0.009 1.00 0.00 H new ATOM 0 HD3 PRO A 114 71.038 1.761 -1.017 1.00 0.00 H new ATOM 1298 N PRO A 115 73.126 3.466 2.951 1.00 0.00 N ATOM 1299 CA PRO A 115 73.323 4.115 4.282 1.00 0.00 C ATOM 1300 C PRO A 115 72.676 3.295 5.400 1.00 0.00 C ATOM 1301 O PRO A 115 71.670 3.681 5.964 1.00 0.00 O ATOM 1302 CB PRO A 115 72.604 5.454 4.109 1.00 0.00 C ATOM 1303 CG PRO A 115 72.023 5.527 2.684 1.00 0.00 C ATOM 1304 CD PRO A 115 72.356 4.225 1.945 1.00 0.00 C ATOM 0 HA PRO A 115 74.372 4.212 4.562 1.00 0.00 H new ATOM 0 HB2 PRO A 115 71.807 5.552 4.846 1.00 0.00 H new ATOM 0 HB3 PRO A 115 73.297 6.279 4.276 1.00 0.00 H new ATOM 0 HG2 PRO A 115 70.943 5.672 2.724 1.00 0.00 H new ATOM 0 HG3 PRO A 115 72.440 6.381 2.150 1.00 0.00 H new ATOM 0 HD2 PRO A 115 71.456 3.692 1.638 1.00 0.00 H new ATOM 0 HD3 PRO A 115 72.940 4.410 1.043 1.00 0.00 H new ATOM 1312 N VAL A 116 73.244 2.170 5.732 1.00 0.00 N ATOM 1313 CA VAL A 116 72.666 1.332 6.815 1.00 0.00 C ATOM 1314 C VAL A 116 73.391 1.594 8.134 1.00 0.00 C ATOM 1315 O VAL A 116 74.554 1.948 8.153 1.00 0.00 O ATOM 1316 CB VAL A 116 72.883 -0.102 6.367 1.00 0.00 C ATOM 1317 CG1 VAL A 116 72.386 -0.273 4.931 1.00 0.00 C ATOM 1318 CG2 VAL A 116 74.365 -0.445 6.445 1.00 0.00 C ATOM 0 H VAL A 116 74.087 1.795 5.297 1.00 0.00 H new ATOM 0 HA VAL A 116 71.612 1.551 6.983 1.00 0.00 H new ATOM 0 HB VAL A 116 72.326 -0.773 7.021 1.00 0.00 H new ATOM 0 HG11 VAL A 116 72.543 -1.303 4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 116 71.323 -0.036 4.883 1.00 0.00 H new ATOM 0 HG13 VAL A 116 72.937 0.399 4.273 1.00 0.00 H new ATOM 0 HG21 VAL A 116 74.518 -1.475 6.123 1.00 0.00 H new ATOM 0 HG22 VAL A 116 74.928 0.225 5.796 1.00 0.00 H new ATOM 0 HG23 VAL A 116 74.711 -0.331 7.472 1.00 0.00 H new ATOM 1328 N LYS A 117 72.712 1.442 9.236 1.00 0.00 N ATOM 1329 CA LYS A 117 73.366 1.704 10.548 1.00 0.00 C ATOM 1330 C LYS A 117 74.031 0.444 11.104 1.00 0.00 C ATOM 1331 O LYS A 117 73.495 -0.645 11.037 1.00 0.00 O ATOM 1332 CB LYS A 117 72.238 2.163 11.463 1.00 0.00 C ATOM 1333 CG LYS A 117 72.683 3.427 12.200 1.00 0.00 C ATOM 1334 CD LYS A 117 72.835 3.121 13.691 1.00 0.00 C ATOM 1335 CE LYS A 117 72.126 4.202 14.509 1.00 0.00 C ATOM 1336 NZ LYS A 117 71.413 3.459 15.586 1.00 0.00 N ATOM 0 H LYS A 117 71.736 1.149 9.285 1.00 0.00 H new ATOM 0 HA LYS A 117 74.158 2.447 10.459 1.00 0.00 H new ATOM 0 HB2 LYS A 117 71.338 2.363 10.881 1.00 0.00 H new ATOM 0 HB3 LYS A 117 71.988 1.378 12.177 1.00 0.00 H new ATOM 0 HG2 LYS A 117 73.629 3.784 11.793 1.00 0.00 H new ATOM 0 HG3 LYS A 117 71.952 4.222 12.054 1.00 0.00 H new ATOM 0 HD2 LYS A 117 72.411 2.142 13.917 1.00 0.00 H new ATOM 0 HD3 LYS A 117 73.891 3.081 13.959 1.00 0.00 H new ATOM 0 HE2 LYS A 117 72.839 4.914 14.925 1.00 0.00 H new ATOM 0 HE3 LYS A 117 71.429 4.771 13.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 70.901 4.132 16.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 70.737 2.793 15.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 72.103 2.932 16.159 1.00 0.00 H new ATOM 1350 N THR A 118 75.202 0.600 11.661 1.00 0.00 N ATOM 1351 CA THR A 118 75.931 -0.565 12.239 1.00 0.00 C ATOM 1352 C THR A 118 76.843 -0.088 13.375 1.00 0.00 C ATOM 1353 O THR A 118 78.049 -0.050 13.240 1.00 0.00 O ATOM 1354 CB THR A 118 76.761 -1.130 11.084 1.00 0.00 C ATOM 1355 OG1 THR A 118 77.793 -0.212 10.751 1.00 0.00 O ATOM 1356 CG2 THR A 118 75.862 -1.353 9.867 1.00 0.00 C ATOM 0 H THR A 118 75.689 1.493 11.741 1.00 0.00 H new ATOM 0 HA THR A 118 75.259 -1.315 12.655 1.00 0.00 H new ATOM 0 HB THR A 118 77.202 -2.080 11.385 1.00 0.00 H new ATOM 0 HG1 THR A 118 78.428 -0.150 11.495 1.00 0.00 H new ATOM 0 HG21 THR A 118 76.455 -1.755 9.046 1.00 0.00 H new ATOM 0 HG22 THR A 118 75.071 -2.058 10.123 1.00 0.00 H new ATOM 0 HG23 THR A 118 75.418 -0.405 9.564 1.00 0.00 H new ATOM 1364 N LYS A 119 76.267 0.282 14.488 1.00 0.00 N ATOM 1365 CA LYS A 119 77.083 0.766 15.644 1.00 0.00 C ATOM 1366 C LYS A 119 77.841 2.048 15.275 1.00 0.00 C ATOM 1367 O LYS A 119 78.925 2.299 15.762 1.00 0.00 O ATOM 1368 CB LYS A 119 78.060 -0.369 15.961 1.00 0.00 C ATOM 1369 CG LYS A 119 77.277 -1.661 16.205 1.00 0.00 C ATOM 1370 CD LYS A 119 77.558 -2.651 15.074 1.00 0.00 C ATOM 1371 CE LYS A 119 76.341 -3.557 14.878 1.00 0.00 C ATOM 1372 NZ LYS A 119 76.765 -4.554 13.855 1.00 0.00 N ATOM 0 H LYS A 119 75.260 0.270 14.648 1.00 0.00 H new ATOM 0 HA LYS A 119 76.458 1.011 16.503 1.00 0.00 H new ATOM 0 HB2 LYS A 119 78.758 -0.504 15.135 1.00 0.00 H new ATOM 0 HB3 LYS A 119 78.653 -0.118 16.841 1.00 0.00 H new ATOM 0 HG2 LYS A 119 77.563 -2.096 17.163 1.00 0.00 H new ATOM 0 HG3 LYS A 119 76.210 -1.447 16.258 1.00 0.00 H new ATOM 0 HD2 LYS A 119 77.777 -2.114 14.151 1.00 0.00 H new ATOM 0 HD3 LYS A 119 78.437 -3.250 15.310 1.00 0.00 H new ATOM 0 HE2 LYS A 119 76.057 -4.044 15.811 1.00 0.00 H new ATOM 0 HE3 LYS A 119 75.475 -2.988 14.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 76.069 -5.326 13.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 76.827 -4.092 12.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 77.696 -4.941 14.112 1.00 0.00 H new ATOM 1386 N PHE A 120 77.276 2.864 14.424 1.00 0.00 N ATOM 1387 CA PHE A 120 77.960 4.133 14.035 1.00 0.00 C ATOM 1388 C PHE A 120 76.943 5.119 13.453 1.00 0.00 C ATOM 1389 O PHE A 120 76.468 6.014 14.125 1.00 0.00 O ATOM 1390 CB PHE A 120 78.975 3.727 12.964 1.00 0.00 C ATOM 1391 CG PHE A 120 80.374 3.941 13.492 1.00 0.00 C ATOM 1392 CD1 PHE A 120 80.678 5.098 14.219 1.00 0.00 C ATOM 1393 CD2 PHE A 120 81.367 2.983 13.252 1.00 0.00 C ATOM 1394 CE1 PHE A 120 81.975 5.297 14.707 1.00 0.00 C ATOM 1395 CE2 PHE A 120 82.664 3.183 13.739 1.00 0.00 C ATOM 1396 CZ PHE A 120 82.968 4.339 14.467 1.00 0.00 C ATOM 0 H PHE A 120 76.371 2.707 13.982 1.00 0.00 H new ATOM 0 HA PHE A 120 78.436 4.622 14.885 1.00 0.00 H new ATOM 0 HB2 PHE A 120 78.833 2.681 12.691 1.00 0.00 H new ATOM 0 HB3 PHE A 120 78.822 4.316 12.060 1.00 0.00 H new ATOM 0 HD1 PHE A 120 79.912 5.837 14.403 1.00 0.00 H new ATOM 0 HD2 PHE A 120 81.132 2.090 12.691 1.00 0.00 H new ATOM 0 HE1 PHE A 120 82.210 6.189 15.268 1.00 0.00 H new ATOM 0 HE2 PHE A 120 83.430 2.445 13.553 1.00 0.00 H new ATOM 0 HZ PHE A 120 83.968 4.492 14.844 1.00 0.00 H new ATOM 1406 N GLY A 121 76.609 4.953 12.206 1.00 0.00 N ATOM 1407 CA GLY A 121 75.624 5.859 11.550 1.00 0.00 C ATOM 1408 C GLY A 121 75.161 5.187 10.260 1.00 0.00 C ATOM 1409 O GLY A 121 75.344 4.004 10.079 1.00 0.00 O ATOM 0 H GLY A 121 76.981 4.218 11.604 1.00 0.00 H new ATOM 0 HA2 GLY A 121 74.777 6.044 12.210 1.00 0.00 H new ATOM 0 HA3 GLY A 121 76.078 6.826 11.335 1.00 0.00 H new ATOM 1413 N TYR A 122 74.591 5.918 9.347 1.00 0.00 N ATOM 1414 CA TYR A 122 74.152 5.275 8.076 1.00 0.00 C ATOM 1415 C TYR A 122 75.304 5.321 7.079 1.00 0.00 C ATOM 1416 O TYR A 122 75.686 6.371 6.601 1.00 0.00 O ATOM 1417 CB TYR A 122 72.977 6.110 7.565 1.00 0.00 C ATOM 1418 CG TYR A 122 71.946 6.271 8.653 1.00 0.00 C ATOM 1419 CD1 TYR A 122 71.601 5.182 9.462 1.00 0.00 C ATOM 1420 CD2 TYR A 122 71.328 7.511 8.850 1.00 0.00 C ATOM 1421 CE1 TYR A 122 70.639 5.332 10.467 1.00 0.00 C ATOM 1422 CE2 TYR A 122 70.366 7.663 9.856 1.00 0.00 C ATOM 1423 CZ TYR A 122 70.021 6.573 10.665 1.00 0.00 C ATOM 1424 OH TYR A 122 69.072 6.723 11.655 1.00 0.00 O ATOM 0 H TYR A 122 74.411 6.919 9.421 1.00 0.00 H new ATOM 0 HA TYR A 122 73.861 4.234 8.216 1.00 0.00 H new ATOM 0 HB2 TYR A 122 73.330 7.089 7.240 1.00 0.00 H new ATOM 0 HB3 TYR A 122 72.529 5.628 6.696 1.00 0.00 H new ATOM 0 HD1 TYR A 122 72.078 4.225 9.310 1.00 0.00 H new ATOM 0 HD2 TYR A 122 71.593 8.351 8.226 1.00 0.00 H new ATOM 0 HE1 TYR A 122 70.373 4.491 11.090 1.00 0.00 H new ATOM 0 HE2 TYR A 122 69.890 8.621 10.008 1.00 0.00 H new ATOM 0 HH TYR A 122 68.745 7.647 11.657 1.00 0.00 H new ATOM 1434 N HIS A 123 75.874 4.189 6.776 1.00 0.00 N ATOM 1435 CA HIS A 123 77.019 4.173 5.825 1.00 0.00 C ATOM 1436 C HIS A 123 76.589 3.576 4.495 1.00 0.00 C ATOM 1437 O HIS A 123 75.785 2.682 4.459 1.00 0.00 O ATOM 1438 CB HIS A 123 78.072 3.292 6.498 1.00 0.00 C ATOM 1439 CG HIS A 123 77.628 1.860 6.552 1.00 0.00 C ATOM 1440 ND1 HIS A 123 77.826 0.986 5.495 1.00 0.00 N ATOM 1441 CD2 HIS A 123 77.049 1.119 7.551 1.00 0.00 C ATOM 1442 CE1 HIS A 123 77.379 -0.222 5.881 1.00 0.00 C ATOM 1443 NE2 HIS A 123 76.896 -0.197 7.126 1.00 0.00 N ATOM 0 H HIS A 123 75.598 3.278 7.144 1.00 0.00 H new ATOM 0 HA HIS A 123 77.398 5.173 5.612 1.00 0.00 H new ATOM 0 HB2 HIS A 123 79.013 3.363 5.952 1.00 0.00 H new ATOM 0 HB3 HIS A 123 78.262 3.655 7.508 1.00 0.00 H new ATOM 0 HD1 HIS A 123 78.236 1.217 4.590 1.00 0.00 H new ATOM 0 HD2 HIS A 123 76.757 1.499 8.519 1.00 0.00 H new ATOM 0 HE1 HIS A 123 77.407 -1.105 5.260 1.00 0.00 H new ATOM 1451 N ILE A 124 77.130 4.044 3.401 1.00 0.00 N ATOM 1452 CA ILE A 124 76.732 3.463 2.087 1.00 0.00 C ATOM 1453 C ILE A 124 77.654 2.293 1.784 1.00 0.00 C ATOM 1454 O ILE A 124 78.865 2.424 1.785 1.00 0.00 O ATOM 1455 CB ILE A 124 76.917 4.574 1.044 1.00 0.00 C ATOM 1456 CG1 ILE A 124 76.133 5.820 1.467 1.00 0.00 C ATOM 1457 CG2 ILE A 124 76.406 4.091 -0.314 1.00 0.00 C ATOM 1458 CD1 ILE A 124 76.209 6.873 0.356 1.00 0.00 C ATOM 0 H ILE A 124 77.821 4.793 3.360 1.00 0.00 H new ATOM 0 HA ILE A 124 75.702 3.107 2.084 1.00 0.00 H new ATOM 0 HB ILE A 124 77.976 4.822 0.970 1.00 0.00 H new ATOM 0 HG12 ILE A 124 75.093 5.559 1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 124 76.542 6.223 2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 124 76.538 4.880 -1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 124 76.967 3.208 -0.621 1.00 0.00 H new ATOM 0 HG23 ILE A 124 75.348 3.839 -0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 124 75.651 7.760 0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 124 77.251 7.142 0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 124 75.779 6.467 -0.560 1.00 0.00 H new ATOM 1470 N ILE A 125 77.087 1.144 1.553 1.00 0.00 N ATOM 1471 CA ILE A 125 77.923 -0.053 1.275 1.00 0.00 C ATOM 1472 C ILE A 125 77.955 -0.348 -0.216 1.00 0.00 C ATOM 1473 O ILE A 125 76.936 -0.534 -0.848 1.00 0.00 O ATOM 1474 CB ILE A 125 77.283 -1.240 2.024 1.00 0.00 C ATOM 1475 CG1 ILE A 125 76.109 -0.796 2.909 1.00 0.00 C ATOM 1476 CG2 ILE A 125 78.340 -1.889 2.907 1.00 0.00 C ATOM 1477 CD1 ILE A 125 75.622 -1.987 3.738 1.00 0.00 C ATOM 0 H ILE A 125 76.080 0.982 1.545 1.00 0.00 H new ATOM 0 HA ILE A 125 78.948 0.116 1.605 1.00 0.00 H new ATOM 0 HB ILE A 125 76.901 -1.940 1.281 1.00 0.00 H new ATOM 0 HG12 ILE A 125 76.421 0.016 3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 125 75.297 -0.412 2.291 1.00 0.00 H new ATOM 0 HG21 ILE A 125 77.900 -2.730 3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 125 79.164 -2.244 2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 125 78.714 -1.158 3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 125 74.789 -1.676 4.368 1.00 0.00 H new ATOM 0 HD12 ILE A 125 75.295 -2.785 3.071 1.00 0.00 H new ATOM 0 HD13 ILE A 125 76.435 -2.350 4.366 1.00 0.00 H new ATOM 1489 N MET A 126 79.127 -0.414 -0.772 1.00 0.00 N ATOM 1490 CA MET A 126 79.262 -0.722 -2.218 1.00 0.00 C ATOM 1491 C MET A 126 80.228 -1.899 -2.362 1.00 0.00 C ATOM 1492 O MET A 126 81.412 -1.767 -2.136 1.00 0.00 O ATOM 1493 CB MET A 126 79.808 0.575 -2.844 1.00 0.00 C ATOM 1494 CG MET A 126 81.016 0.290 -3.745 1.00 0.00 C ATOM 1495 SD MET A 126 81.322 1.714 -4.824 1.00 0.00 S ATOM 1496 CE MET A 126 80.882 3.012 -3.640 1.00 0.00 C ATOM 0 H MET A 126 80.008 -0.266 -0.280 1.00 0.00 H new ATOM 0 HA MET A 126 78.333 -1.012 -2.709 1.00 0.00 H new ATOM 0 HB2 MET A 126 79.024 1.060 -3.425 1.00 0.00 H new ATOM 0 HB3 MET A 126 80.095 1.270 -2.055 1.00 0.00 H new ATOM 0 HG2 MET A 126 81.897 0.087 -3.136 1.00 0.00 H new ATOM 0 HG3 MET A 126 80.832 -0.601 -4.346 1.00 0.00 H new ATOM 0 HE1 MET A 126 81.232 3.976 -4.010 1.00 0.00 H new ATOM 0 HE2 MET A 126 79.799 3.041 -3.518 1.00 0.00 H new ATOM 0 HE3 MET A 126 81.350 2.801 -2.678 1.00 0.00 H new ATOM 1506 N VAL A 127 79.728 -3.051 -2.713 1.00 0.00 N ATOM 1507 CA VAL A 127 80.616 -4.240 -2.837 1.00 0.00 C ATOM 1508 C VAL A 127 81.182 -4.344 -4.249 1.00 0.00 C ATOM 1509 O VAL A 127 80.546 -3.967 -5.213 1.00 0.00 O ATOM 1510 CB VAL A 127 79.709 -5.427 -2.530 1.00 0.00 C ATOM 1511 CG1 VAL A 127 80.397 -6.714 -2.973 1.00 0.00 C ATOM 1512 CG2 VAL A 127 79.433 -5.480 -1.026 1.00 0.00 C ATOM 0 H VAL A 127 78.744 -3.220 -2.919 1.00 0.00 H new ATOM 0 HA VAL A 127 81.474 -4.190 -2.166 1.00 0.00 H new ATOM 0 HB VAL A 127 78.766 -5.318 -3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 127 79.752 -7.565 -2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 127 80.593 -6.672 -4.044 1.00 0.00 H new ATOM 0 HG13 VAL A 127 81.339 -6.826 -2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 127 78.785 -6.328 -0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 127 80.374 -5.592 -0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 127 78.943 -4.558 -0.713 1.00 0.00 H new ATOM 1522 N GLU A 128 82.384 -4.840 -4.381 1.00 0.00 N ATOM 1523 CA GLU A 128 82.985 -4.944 -5.729 1.00 0.00 C ATOM 1524 C GLU A 128 83.964 -6.118 -5.831 1.00 0.00 C ATOM 1525 O GLU A 128 85.134 -5.985 -5.615 1.00 0.00 O ATOM 1526 CB GLU A 128 83.723 -3.621 -5.934 1.00 0.00 C ATOM 1527 CG GLU A 128 84.449 -3.647 -7.280 1.00 0.00 C ATOM 1528 CD GLU A 128 84.362 -2.265 -7.934 1.00 0.00 C ATOM 1529 OE1 GLU A 128 84.995 -1.353 -7.430 1.00 0.00 O ATOM 1530 OE2 GLU A 128 83.665 -2.146 -8.928 1.00 0.00 O ATOM 0 H GLU A 128 82.968 -5.174 -3.614 1.00 0.00 H new ATOM 0 HA GLU A 128 82.222 -5.125 -6.486 1.00 0.00 H new ATOM 0 HB2 GLU A 128 83.018 -2.790 -5.905 1.00 0.00 H new ATOM 0 HB3 GLU A 128 84.437 -3.461 -5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 128 85.492 -3.928 -7.137 1.00 0.00 H new ATOM 0 HG3 GLU A 128 84.003 -4.398 -7.932 1.00 0.00 H new ATOM 1537 N GLY A 129 83.492 -7.254 -6.192 1.00 0.00 N ATOM 1538 CA GLY A 129 84.397 -8.423 -6.372 1.00 0.00 C ATOM 1539 C GLY A 129 84.365 -9.347 -5.165 1.00 0.00 C ATOM 1540 O GLY A 129 84.877 -9.024 -4.114 1.00 0.00 O ATOM 0 H GLY A 129 82.506 -7.440 -6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 129 84.103 -8.977 -7.263 1.00 0.00 H new ATOM 0 HA3 GLY A 129 85.416 -8.073 -6.536 1.00 0.00 H new ATOM 1544 N ARG A 130 83.799 -10.512 -5.321 1.00 0.00 N ATOM 1545 CA ARG A 130 83.766 -11.475 -4.188 1.00 0.00 C ATOM 1546 C ARG A 130 84.112 -12.882 -4.675 1.00 0.00 C ATOM 1547 O ARG A 130 84.447 -13.089 -5.824 1.00 0.00 O ATOM 1548 CB ARG A 130 82.341 -11.427 -3.656 1.00 0.00 C ATOM 1549 CG ARG A 130 81.350 -11.540 -4.817 1.00 0.00 C ATOM 1550 CD ARG A 130 80.003 -12.040 -4.289 1.00 0.00 C ATOM 1551 NE ARG A 130 79.754 -13.314 -5.022 1.00 0.00 N ATOM 1552 CZ ARG A 130 78.564 -13.575 -5.489 1.00 0.00 C ATOM 1553 NH1 ARG A 130 78.059 -12.837 -6.440 1.00 0.00 N ATOM 1554 NH2 ARG A 130 77.879 -14.576 -5.009 1.00 0.00 N ATOM 0 H ARG A 130 83.359 -10.837 -6.182 1.00 0.00 H new ATOM 0 HA ARG A 130 84.492 -11.220 -3.416 1.00 0.00 H new ATOM 0 HB2 ARG A 130 82.180 -12.240 -2.948 1.00 0.00 H new ATOM 0 HB3 ARG A 130 82.176 -10.495 -3.115 1.00 0.00 H new ATOM 0 HG2 ARG A 130 81.227 -10.571 -5.300 1.00 0.00 H new ATOM 0 HG3 ARG A 130 81.734 -12.226 -5.572 1.00 0.00 H new ATOM 0 HD2 ARG A 130 80.037 -12.204 -3.212 1.00 0.00 H new ATOM 0 HD3 ARG A 130 79.211 -11.315 -4.476 1.00 0.00 H new ATOM 0 HE ARG A 130 80.513 -13.981 -5.158 1.00 0.00 H new ATOM 0 HH11 ARG A 130 78.595 -12.056 -6.818 1.00 0.00 H new ATOM 0 HH12 ARG A 130 77.129 -13.042 -6.805 1.00 0.00 H new ATOM 0 HH21 ARG A 130 78.274 -15.155 -4.268 1.00 0.00 H new ATOM 0 HH22 ARG A 130 76.949 -14.779 -5.375 1.00 0.00 H new ATOM 1568 N LYS A 131 84.034 -13.850 -3.806 1.00 0.00 N ATOM 1569 CA LYS A 131 84.361 -15.246 -4.213 1.00 0.00 C ATOM 1570 C LYS A 131 83.520 -16.242 -3.409 1.00 0.00 C ATOM 1571 O LYS A 131 82.767 -16.982 -4.021 1.00 0.00 O ATOM 1572 CB LYS A 131 85.846 -15.411 -3.888 1.00 0.00 C ATOM 1573 CG LYS A 131 86.684 -14.687 -4.942 1.00 0.00 C ATOM 1574 CD LYS A 131 87.266 -13.406 -4.339 1.00 0.00 C ATOM 1575 CE LYS A 131 88.787 -13.539 -4.229 1.00 0.00 C ATOM 1576 NZ LYS A 131 89.131 -12.903 -2.925 1.00 0.00 N ATOM 1577 OXT LYS A 131 83.643 -16.247 -2.196 1.00 0.00 O ATOM 0 H LYS A 131 83.758 -13.736 -2.831 1.00 0.00 H new ATOM 0 HA LYS A 131 84.150 -15.432 -5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 131 86.059 -15.007 -2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 131 86.108 -16.469 -3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 131 87.488 -15.335 -5.291 1.00 0.00 H new ATOM 0 HG3 LYS A 131 86.069 -14.447 -5.809 1.00 0.00 H new ATOM 0 HD2 LYS A 131 87.009 -12.549 -4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 131 86.834 -13.226 -3.355 1.00 0.00 H new ATOM 0 HE2 LYS A 131 89.096 -14.584 -4.253 1.00 0.00 H new ATOM 0 HE3 LYS A 131 89.289 -13.039 -5.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 90.165 -12.831 -2.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 88.713 -11.952 -2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 88.756 -13.482 -2.147 1.00 0.00 H new TER 1591 LYS A 131