USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 650 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 46 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 48 MET CE :methyl 167:sc= -2.15 (180deg=-2.59!) USER MOD Set 2.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 34 ASN : amide:sc= -6.44! C(o=-7.3!,f=-10!) USER MOD Set 3.2: A 43 ASN : amide:sc= -0.829 K(o=-7.3,f=-11!) USER MOD Set 4.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -21.1! C(o=-21!,f=-14!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HE2:sc= -23.8! C(o=-24!,f=-30!) USER MOD Single : A 20 THR OG1 : rot 99:sc= -0.189! USER MOD Single : A 24 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.56) USER MOD Single : A 27 SER OG : rot -60:sc= -0.742 USER MOD Single : A 30 ASN : amide:sc=-0.00974 X(o=-0.0097,f=0) USER MOD Single : A 31 SER OG : rot -114:sc= -4.24! USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= -11! (180deg=-12.1!) USER MOD Single : A 41 SER OG : rot -16:sc= 0.886! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -157:sc= -2.98! (180deg=-4.02!) USER MOD Single : A 52 SER OG : rot -71:sc= 1.21 USER MOD Single : A 57 GLN : amide:sc=-0.00384 K(o=-0.0038,f=-1.2) USER MOD Single : A 59 SER OG : rot -150:sc= -0.0361 USER MOD Single : A 62 THR OG1 : rot 73:sc= -8.61! USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.326 USER MOD Single : A 74 MET CE :methyl -167:sc= -5.53! (180deg=-5.87!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -3.52! K(o=-3.5!,f=-1.3) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -2.233 -10.003 -8.640 1.00 1.00 N ATOM 19 CA GLU A 2 -2.770 -8.806 -9.264 1.00 1.00 C ATOM 20 C GLU A 2 -2.307 -7.559 -8.508 1.00 1.00 C ATOM 21 O GLU A 2 -1.917 -7.644 -7.345 1.00 1.00 O ATOM 22 CB GLU A 2 -4.297 -8.865 -9.340 1.00 1.00 C ATOM 23 CG GLU A 2 -4.762 -10.148 -10.033 1.00 1.00 C ATOM 24 CD GLU A 2 -6.177 -9.987 -10.593 1.00 1.00 C ATOM 25 OE1 GLU A 2 -7.093 -9.775 -9.769 1.00 1.00 O ATOM 26 OE2 GLU A 2 -6.310 -10.079 -11.833 1.00 1.00 O ATOM 0 HA GLU A 2 -2.390 -8.751 -10.284 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -4.717 -8.817 -8.335 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -4.672 -7.998 -9.883 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -4.074 -10.399 -10.840 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -4.739 -10.977 -9.325 1.00 1.00 H new ATOM 33 N LYS A 3 -2.366 -6.431 -9.200 1.00 1.00 N ATOM 34 CA LYS A 3 -1.957 -5.168 -8.608 1.00 1.00 C ATOM 35 C LYS A 3 -3.132 -4.188 -8.646 1.00 1.00 C ATOM 36 O LYS A 3 -4.064 -4.361 -9.429 1.00 1.00 O ATOM 37 CB LYS A 3 -0.694 -4.640 -9.291 1.00 1.00 C ATOM 38 CG LYS A 3 -0.985 -3.350 -10.061 1.00 1.00 C ATOM 39 CD LYS A 3 0.093 -3.084 -11.113 1.00 1.00 C ATOM 40 CE LYS A 3 0.093 -4.174 -12.187 1.00 1.00 C ATOM 41 NZ LYS A 3 0.563 -3.628 -13.480 1.00 1.00 N ATOM 0 H LYS A 3 -2.691 -6.365 -10.165 1.00 1.00 H new ATOM 0 HA LYS A 3 -1.690 -5.307 -7.560 1.00 1.00 H new ATOM 0 HB2 LYS A 3 0.078 -4.455 -8.544 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -0.303 -5.395 -9.973 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -1.959 -3.423 -10.544 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -1.035 -2.511 -9.367 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -0.078 -2.112 -11.576 1.00 1.00 H new ATOM 0 HD3 LYS A 3 1.071 -3.041 -10.634 1.00 1.00 H new ATOM 0 HE2 LYS A 3 0.737 -4.997 -11.878 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -0.912 -4.580 -12.301 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 0.557 -4.381 -14.198 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -0.067 -2.857 -13.781 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 1.530 -3.262 -13.371 1.00 1.00 H new ATOM 55 N LYS A 4 -3.049 -3.181 -7.789 1.00 1.00 N ATOM 56 CA LYS A 4 -4.093 -2.174 -7.714 1.00 1.00 C ATOM 57 C LYS A 4 -3.463 -0.814 -7.405 1.00 1.00 C ATOM 58 O LYS A 4 -2.885 -0.622 -6.337 1.00 1.00 O ATOM 59 CB LYS A 4 -5.171 -2.594 -6.713 1.00 1.00 C ATOM 60 CG LYS A 4 -6.396 -1.682 -6.812 1.00 1.00 C ATOM 61 CD LYS A 4 -7.215 -1.998 -8.066 1.00 1.00 C ATOM 62 CE LYS A 4 -8.425 -1.069 -8.179 1.00 1.00 C ATOM 63 NZ LYS A 4 -9.218 -1.395 -9.385 1.00 1.00 N ATOM 0 H LYS A 4 -2.274 -3.041 -7.140 1.00 1.00 H new ATOM 0 HA LYS A 4 -4.601 -2.080 -8.674 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -5.465 -3.626 -6.902 1.00 1.00 H new ATOM 0 HB3 LYS A 4 -4.767 -2.558 -5.701 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -7.019 -1.806 -5.926 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -6.077 -0.640 -6.835 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -6.587 -1.893 -8.951 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -7.550 -3.035 -8.034 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -9.048 -1.164 -7.290 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -8.092 -0.032 -8.225 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -10.035 -0.755 -9.446 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -8.625 -1.281 -10.232 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -9.552 -2.378 -9.326 1.00 1.00 H new ATOM 77 N GLU A 5 -3.596 0.094 -8.361 1.00 1.00 N ATOM 78 CA GLU A 5 -3.047 1.430 -8.204 1.00 1.00 C ATOM 79 C GLU A 5 -4.052 2.337 -7.490 1.00 1.00 C ATOM 80 O GLU A 5 -5.256 2.087 -7.529 1.00 1.00 O ATOM 81 CB GLU A 5 -2.643 2.019 -9.557 1.00 1.00 C ATOM 82 CG GLU A 5 -1.760 1.043 -10.338 1.00 1.00 C ATOM 83 CD GLU A 5 -2.565 0.321 -11.420 1.00 1.00 C ATOM 84 OE1 GLU A 5 -3.117 1.033 -12.287 1.00 1.00 O ATOM 85 OE2 GLU A 5 -2.609 -0.927 -11.357 1.00 1.00 O ATOM 0 H GLU A 5 -4.076 -0.069 -9.246 1.00 1.00 H new ATOM 0 HA GLU A 5 -2.148 1.362 -7.591 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -3.536 2.252 -10.138 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -2.108 2.957 -9.405 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -0.931 1.583 -10.796 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -1.326 0.313 -9.655 1.00 1.00 H new ATOM 92 N PHE A 6 -3.520 3.371 -6.855 1.00 1.00 N ATOM 93 CA PHE A 6 -4.356 4.315 -6.133 1.00 1.00 C ATOM 94 C PHE A 6 -3.677 5.683 -6.033 1.00 1.00 C ATOM 95 O PHE A 6 -2.589 5.881 -6.573 1.00 1.00 O ATOM 96 CB PHE A 6 -4.552 3.753 -4.724 1.00 1.00 C ATOM 97 CG PHE A 6 -5.147 2.344 -4.694 1.00 1.00 C ATOM 98 CD1 PHE A 6 -4.357 1.266 -4.946 1.00 1.00 C ATOM 99 CD2 PHE A 6 -6.467 2.169 -4.415 1.00 1.00 C ATOM 100 CE1 PHE A 6 -4.909 -0.042 -4.918 1.00 1.00 C ATOM 101 CE2 PHE A 6 -7.019 0.861 -4.387 1.00 1.00 C ATOM 102 CZ PHE A 6 -6.229 -0.217 -4.639 1.00 1.00 C ATOM 0 H PHE A 6 -2.521 3.576 -6.825 1.00 1.00 H new ATOM 0 HA PHE A 6 -5.304 4.446 -6.654 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -3.590 3.741 -4.211 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -5.204 4.424 -4.164 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -3.309 1.405 -5.168 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -7.095 3.025 -4.215 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -4.281 -0.898 -5.118 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -8.067 0.722 -4.165 1.00 1.00 H new ATOM 0 HZ PHE A 6 -6.649 -1.212 -4.618 1.00 1.00 H new ATOM 112 N HIS A 7 -4.346 6.591 -5.339 1.00 1.00 N ATOM 113 CA HIS A 7 -3.821 7.934 -5.161 1.00 1.00 C ATOM 114 C HIS A 7 -4.276 8.489 -3.810 1.00 1.00 C ATOM 115 O HIS A 7 -5.442 8.358 -3.443 1.00 1.00 O ATOM 116 CB HIS A 7 -4.217 8.832 -6.335 1.00 1.00 C ATOM 117 CG HIS A 7 -4.502 10.263 -5.945 1.00 1.00 C ATOM 118 ND1 HIS A 7 -3.923 11.344 -6.586 1.00 1.00 N ATOM 119 CD2 HIS A 7 -5.310 10.778 -4.975 1.00 1.00 C ATOM 120 CE1 HIS A 7 -4.369 12.455 -6.018 1.00 1.00 C ATOM 121 NE2 HIS A 7 -5.228 12.102 -5.020 1.00 1.00 N ATOM 0 H HIS A 7 -5.248 6.423 -4.893 1.00 1.00 H new ATOM 0 HA HIS A 7 -2.731 7.904 -5.153 1.00 1.00 H new ATOM 0 HB2 HIS A 7 -3.416 8.820 -7.074 1.00 1.00 H new ATOM 0 HB3 HIS A 7 -5.101 8.414 -6.816 1.00 1.00 H new ATOM 0 HD2 HIS A 7 -5.914 10.206 -4.287 1.00 1.00 H new ATOM 0 HE1 HIS A 7 -4.099 13.463 -6.297 1.00 1.00 H new ATOM 0 HE2 HIS A 7 -5.726 12.749 -4.408 1.00 1.00 H new ATOM 129 N ILE A 8 -3.332 9.097 -3.108 1.00 1.00 N ATOM 130 CA ILE A 8 -3.621 9.673 -1.806 1.00 1.00 C ATOM 131 C ILE A 8 -4.650 10.793 -1.965 1.00 1.00 C ATOM 132 O ILE A 8 -4.438 11.731 -2.732 1.00 1.00 O ATOM 133 CB ILE A 8 -2.329 10.118 -1.117 1.00 1.00 C ATOM 134 CG1 ILE A 8 -1.345 8.952 -0.991 1.00 1.00 C ATOM 135 CG2 ILE A 8 -2.624 10.768 0.236 1.00 1.00 C ATOM 136 CD1 ILE A 8 -2.087 7.623 -0.839 1.00 1.00 C ATOM 0 H ILE A 8 -2.366 9.203 -3.416 1.00 1.00 H new ATOM 0 HA ILE A 8 -4.063 8.924 -1.149 1.00 1.00 H new ATOM 0 HB ILE A 8 -1.853 10.875 -1.740 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -0.704 8.916 -1.872 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -0.696 9.111 -0.130 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -1.689 11.075 0.704 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.260 11.641 0.089 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.134 10.052 0.880 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -1.365 6.811 -0.751 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -2.709 7.654 0.056 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.717 7.456 -1.713 1.00 1.00 H new ATOM 148 N VAL A 9 -5.743 10.659 -1.228 1.00 1.00 N ATOM 149 CA VAL A 9 -6.806 11.649 -1.278 1.00 1.00 C ATOM 150 C VAL A 9 -7.049 12.201 0.128 1.00 1.00 C ATOM 151 O VAL A 9 -7.931 13.036 0.327 1.00 1.00 O ATOM 152 CB VAL A 9 -8.060 11.038 -1.906 1.00 1.00 C ATOM 153 CG1 VAL A 9 -7.852 10.769 -3.398 1.00 1.00 C ATOM 154 CG2 VAL A 9 -8.475 9.762 -1.172 1.00 1.00 C ATOM 0 H VAL A 9 -5.916 9.880 -0.593 1.00 1.00 H new ATOM 0 HA VAL A 9 -6.518 12.488 -1.911 1.00 1.00 H new ATOM 0 HB VAL A 9 -8.870 11.761 -1.806 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -8.759 10.335 -3.819 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -7.627 11.705 -3.909 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -7.022 10.075 -3.530 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -9.369 9.348 -1.639 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -7.667 9.032 -1.225 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -8.685 9.995 -0.128 1.00 1.00 H new ATOM 164 N ALA A 10 -6.251 11.714 1.067 1.00 1.00 N ATOM 165 CA ALA A 10 -6.369 12.148 2.448 1.00 1.00 C ATOM 166 C ALA A 10 -5.564 13.435 2.644 1.00 1.00 C ATOM 167 O ALA A 10 -5.693 14.102 3.669 1.00 1.00 O ATOM 168 CB ALA A 10 -5.907 11.025 3.378 1.00 1.00 C ATOM 0 H ALA A 10 -5.520 11.023 0.898 1.00 1.00 H new ATOM 0 HA ALA A 10 -7.408 12.368 2.693 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -5.996 11.351 4.414 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -6.528 10.143 3.221 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -4.867 10.779 3.163 1.00 1.00 H new ATOM 174 N GLU A 11 -4.752 13.745 1.644 1.00 1.00 N ATOM 175 CA GLU A 11 -3.926 14.939 1.694 1.00 1.00 C ATOM 176 C GLU A 11 -3.245 15.058 3.059 1.00 1.00 C ATOM 177 O GLU A 11 -2.752 16.125 3.420 1.00 1.00 O ATOM 178 CB GLU A 11 -4.752 16.189 1.382 1.00 1.00 C ATOM 179 CG GLU A 11 -5.800 16.439 2.469 1.00 1.00 C ATOM 180 CD GLU A 11 -6.421 17.829 2.322 1.00 1.00 C ATOM 181 OE1 GLU A 11 -7.351 17.952 1.496 1.00 1.00 O ATOM 182 OE2 GLU A 11 -5.952 18.739 3.040 1.00 1.00 O ATOM 0 H GLU A 11 -4.649 13.190 0.795 1.00 1.00 H new ATOM 0 HA GLU A 11 -3.152 14.854 0.931 1.00 1.00 H new ATOM 0 HB2 GLU A 11 -4.093 17.054 1.301 1.00 1.00 H new ATOM 0 HB3 GLU A 11 -5.245 16.072 0.417 1.00 1.00 H new ATOM 0 HG2 GLU A 11 -6.580 15.680 2.409 1.00 1.00 H new ATOM 0 HG3 GLU A 11 -5.339 16.345 3.452 1.00 1.00 H new ATOM 189 N THR A 12 -3.240 13.946 3.780 1.00 1.00 N ATOM 190 CA THR A 12 -2.627 13.912 5.097 1.00 1.00 C ATOM 191 C THR A 12 -1.107 14.043 4.982 1.00 1.00 C ATOM 192 O THR A 12 -0.553 15.115 5.222 1.00 1.00 O ATOM 193 CB THR A 12 -3.075 12.626 5.794 1.00 1.00 C ATOM 194 OG1 THR A 12 -4.081 13.057 6.706 1.00 1.00 O ATOM 195 CG2 THR A 12 -1.986 12.036 6.692 1.00 1.00 C ATOM 0 H THR A 12 -3.650 13.063 3.477 1.00 1.00 H new ATOM 0 HA THR A 12 -2.949 14.758 5.705 1.00 1.00 H new ATOM 0 HB THR A 12 -3.365 11.890 5.044 1.00 1.00 H new ATOM 0 HG1 THR A 12 -4.428 12.285 7.199 1.00 1.00 H new ATOM 0 HG21 THR A 12 -2.356 11.125 7.162 1.00 1.00 H new ATOM 0 HG22 THR A 12 -1.106 11.803 6.092 1.00 1.00 H new ATOM 0 HG23 THR A 12 -1.719 12.759 7.463 1.00 1.00 H new ATOM 203 N GLY A 13 -0.476 12.938 4.615 1.00 1.00 N ATOM 204 CA GLY A 13 0.969 12.916 4.465 1.00 1.00 C ATOM 205 C GLY A 13 1.510 11.488 4.572 1.00 1.00 C ATOM 206 O GLY A 13 2.720 11.274 4.522 1.00 1.00 O ATOM 0 H GLY A 13 -0.939 12.051 4.417 1.00 1.00 H new ATOM 0 HA2 GLY A 13 1.245 13.342 3.500 1.00 1.00 H new ATOM 0 HA3 GLY A 13 1.427 13.541 5.232 1.00 1.00 H new ATOM 210 N ILE A 14 0.586 10.549 4.718 1.00 1.00 N ATOM 211 CA ILE A 14 0.955 9.149 4.832 1.00 1.00 C ATOM 212 C ILE A 14 2.028 8.995 5.912 1.00 1.00 C ATOM 213 O ILE A 14 3.172 8.657 5.612 1.00 1.00 O ATOM 214 CB ILE A 14 1.370 8.591 3.469 1.00 1.00 C ATOM 215 CG1 ILE A 14 0.172 8.517 2.520 1.00 1.00 C ATOM 216 CG2 ILE A 14 2.066 7.237 3.620 1.00 1.00 C ATOM 217 CD1 ILE A 14 -0.942 9.465 2.967 1.00 1.00 C ATOM 0 H ILE A 14 -0.417 10.731 4.760 1.00 1.00 H new ATOM 0 HA ILE A 14 0.098 8.554 5.146 1.00 1.00 H new ATOM 0 HB ILE A 14 2.092 9.276 3.024 1.00 1.00 H new ATOM 0 HG12 ILE A 14 0.488 8.773 1.509 1.00 1.00 H new ATOM 0 HG13 ILE A 14 -0.207 7.496 2.486 1.00 1.00 H new ATOM 0 HG21 ILE A 14 2.351 6.863 2.637 1.00 1.00 H new ATOM 0 HG22 ILE A 14 2.958 7.353 4.236 1.00 1.00 H new ATOM 0 HG23 ILE A 14 1.386 6.529 4.095 1.00 1.00 H new ATOM 0 HD11 ILE A 14 -1.781 9.392 2.275 1.00 1.00 H new ATOM 0 HD12 ILE A 14 -1.273 9.191 3.969 1.00 1.00 H new ATOM 0 HD13 ILE A 14 -0.567 10.488 2.976 1.00 1.00 H new ATOM 229 N HIS A 15 1.621 9.251 7.147 1.00 1.00 N ATOM 230 CA HIS A 15 2.533 9.145 8.273 1.00 1.00 C ATOM 231 C HIS A 15 2.322 7.805 8.980 1.00 1.00 C ATOM 232 O HIS A 15 1.482 7.006 8.567 1.00 1.00 O ATOM 233 CB HIS A 15 2.378 10.342 9.212 1.00 1.00 C ATOM 234 CG HIS A 15 0.958 10.839 9.345 1.00 1.00 C ATOM 235 ND1 HIS A 15 0.064 10.316 10.264 1.00 1.00 N ATOM 236 CD2 HIS A 15 0.288 11.814 8.668 1.00 1.00 C ATOM 237 CE1 HIS A 15 -1.089 10.955 10.135 1.00 1.00 C ATOM 238 NE2 HIS A 15 -0.949 11.883 9.146 1.00 1.00 N ATOM 0 H HIS A 15 0.672 9.532 7.392 1.00 1.00 H new ATOM 0 HA HIS A 15 3.562 9.169 7.915 1.00 1.00 H new ATOM 0 HB2 HIS A 15 2.750 10.067 10.199 1.00 1.00 H new ATOM 0 HB3 HIS A 15 3.005 11.157 8.851 1.00 1.00 H new ATOM 0 HD1 HIS A 15 0.260 9.566 10.927 1.00 1.00 H new ATOM 0 HD2 HIS A 15 0.694 12.427 7.877 1.00 1.00 H new ATOM 0 HE1 HIS A 15 -1.983 10.773 10.712 1.00 1.00 H new ATOM 246 N ALA A 16 3.098 7.600 10.035 1.00 1.00 N ATOM 247 CA ALA A 16 3.006 6.371 10.804 1.00 1.00 C ATOM 248 C ALA A 16 1.535 5.976 10.953 1.00 1.00 C ATOM 249 O ALA A 16 1.202 4.792 10.937 1.00 1.00 O ATOM 250 CB ALA A 16 3.698 6.561 12.155 1.00 1.00 C ATOM 0 H ALA A 16 3.793 8.265 10.375 1.00 1.00 H new ATOM 0 HA ALA A 16 3.515 5.557 10.288 1.00 1.00 H new ATOM 0 HB1 ALA A 16 3.629 5.639 12.732 1.00 1.00 H new ATOM 0 HB2 ALA A 16 4.747 6.811 11.995 1.00 1.00 H new ATOM 0 HB3 ALA A 16 3.212 7.369 12.702 1.00 1.00 H new ATOM 256 N ARG A 17 0.695 6.990 11.094 1.00 1.00 N ATOM 257 CA ARG A 17 -0.733 6.764 11.245 1.00 1.00 C ATOM 258 C ARG A 17 -1.314 6.163 9.964 1.00 1.00 C ATOM 259 O ARG A 17 -1.656 4.982 9.927 1.00 1.00 O ATOM 260 CB ARG A 17 -1.466 8.068 11.567 1.00 1.00 C ATOM 261 CG ARG A 17 -1.733 8.190 13.069 1.00 1.00 C ATOM 262 CD ARG A 17 -0.423 8.225 13.858 1.00 1.00 C ATOM 263 NE ARG A 17 -0.184 9.588 14.382 1.00 1.00 N ATOM 264 CZ ARG A 17 0.564 9.858 15.460 1.00 1.00 C ATOM 265 NH1 ARG A 17 1.151 8.860 16.135 1.00 1.00 N ATOM 266 NH2 ARG A 17 0.726 11.126 15.863 1.00 1.00 N ATOM 0 H ARG A 17 0.975 7.971 11.107 1.00 1.00 H new ATOM 0 HA ARG A 17 -0.873 6.068 12.072 1.00 1.00 H new ATOM 0 HB2 ARG A 17 -0.871 8.917 11.230 1.00 1.00 H new ATOM 0 HB3 ARG A 17 -2.409 8.103 11.022 1.00 1.00 H new ATOM 0 HG2 ARG A 17 -2.306 9.096 13.268 1.00 1.00 H new ATOM 0 HG3 ARG A 17 -2.341 7.349 13.403 1.00 1.00 H new ATOM 0 HD2 ARG A 17 -0.466 7.512 14.682 1.00 1.00 H new ATOM 0 HD3 ARG A 17 0.405 7.922 13.217 1.00 1.00 H new ATOM 0 HE ARG A 17 -0.616 10.371 13.892 1.00 1.00 H new ATOM 0 HH11 ARG A 17 1.028 7.895 15.828 1.00 1.00 H new ATOM 0 HH12 ARG A 17 1.721 9.065 16.956 1.00 1.00 H new ATOM 0 HH21 ARG A 17 0.280 11.886 15.349 1.00 1.00 H new ATOM 0 HH22 ARG A 17 1.296 11.331 16.684 1.00 1.00 H new ATOM 280 N PRO A 18 -1.410 7.026 8.917 1.00 1.00 N ATOM 281 CA PRO A 18 -1.944 6.592 7.637 1.00 1.00 C ATOM 282 C PRO A 18 -0.928 5.734 6.881 1.00 1.00 C ATOM 283 O PRO A 18 -1.305 4.854 6.109 1.00 1.00 O ATOM 284 CB PRO A 18 -2.299 7.876 6.904 1.00 1.00 C ATOM 285 CG PRO A 18 -1.526 8.982 7.603 1.00 1.00 C ATOM 286 CD PRO A 18 -1.015 8.431 8.923 1.00 1.00 C ATOM 0 HA PRO A 18 -2.821 5.953 7.742 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -2.025 7.813 5.851 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -3.372 8.064 6.943 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -0.695 9.318 6.982 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -2.167 9.847 7.773 1.00 1.00 H new ATOM 0 HD2 PRO A 18 0.067 8.538 9.004 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -1.452 8.961 9.769 1.00 1.00 H new ATOM 294 N ALA A 19 0.342 6.019 7.130 1.00 1.00 N ATOM 295 CA ALA A 19 1.415 5.284 6.483 1.00 1.00 C ATOM 296 C ALA A 19 1.279 3.796 6.812 1.00 1.00 C ATOM 297 O ALA A 19 1.262 2.957 5.912 1.00 1.00 O ATOM 298 CB ALA A 19 2.764 5.857 6.923 1.00 1.00 C ATOM 0 H ALA A 19 0.652 6.749 7.771 1.00 1.00 H new ATOM 0 HA ALA A 19 1.353 5.389 5.400 1.00 1.00 H new ATOM 0 HB1 ALA A 19 3.569 5.306 6.438 1.00 1.00 H new ATOM 0 HB2 ALA A 19 2.822 6.908 6.641 1.00 1.00 H new ATOM 0 HB3 ALA A 19 2.863 5.766 8.005 1.00 1.00 H new ATOM 304 N THR A 20 1.185 3.514 8.103 1.00 1.00 N ATOM 305 CA THR A 20 1.051 2.142 8.561 1.00 1.00 C ATOM 306 C THR A 20 -0.342 1.603 8.229 1.00 1.00 C ATOM 307 O THR A 20 -0.495 0.426 7.904 1.00 1.00 O ATOM 308 CB THR A 20 1.375 2.109 10.056 1.00 1.00 C ATOM 309 OG1 THR A 20 2.221 3.239 10.253 1.00 1.00 O ATOM 310 CG2 THR A 20 2.253 0.915 10.439 1.00 1.00 C ATOM 0 H THR A 20 1.199 4.212 8.846 1.00 1.00 H new ATOM 0 HA THR A 20 1.751 1.483 8.047 1.00 1.00 H new ATOM 0 HB THR A 20 0.447 2.076 10.628 1.00 1.00 H new ATOM 0 HG1 THR A 20 1.693 3.986 10.605 1.00 1.00 H new ATOM 0 HG21 THR A 20 2.453 0.939 11.510 1.00 1.00 H new ATOM 0 HG22 THR A 20 1.737 -0.012 10.187 1.00 1.00 H new ATOM 0 HG23 THR A 20 3.195 0.966 9.893 1.00 1.00 H new ATOM 318 N LEU A 21 -1.322 2.489 8.324 1.00 1.00 N ATOM 319 CA LEU A 21 -2.697 2.117 8.038 1.00 1.00 C ATOM 320 C LEU A 21 -2.727 1.184 6.826 1.00 1.00 C ATOM 321 O LEU A 21 -3.316 0.105 6.883 1.00 1.00 O ATOM 322 CB LEU A 21 -3.568 3.365 7.875 1.00 1.00 C ATOM 323 CG LEU A 21 -5.071 3.165 8.078 1.00 1.00 C ATOM 324 CD1 LEU A 21 -5.838 4.458 7.796 1.00 1.00 C ATOM 325 CD2 LEU A 21 -5.587 1.997 7.235 1.00 1.00 C ATOM 0 H LEU A 21 -1.191 3.464 8.595 1.00 1.00 H new ATOM 0 HA LEU A 21 -3.124 1.566 8.876 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -3.223 4.119 8.582 1.00 1.00 H new ATOM 0 HB3 LEU A 21 -3.407 3.768 6.875 1.00 1.00 H new ATOM 0 HG LEU A 21 -5.244 2.909 9.123 1.00 1.00 H new ATOM 0 HD11 LEU A 21 -6.904 4.289 7.947 1.00 1.00 H new ATOM 0 HD12 LEU A 21 -5.495 5.240 8.473 1.00 1.00 H new ATOM 0 HD13 LEU A 21 -5.663 4.768 6.766 1.00 1.00 H new ATOM 0 HD21 LEU A 21 -6.658 1.876 7.398 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -5.401 2.199 6.180 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -5.070 1.082 7.526 1.00 1.00 H new ATOM 337 N LEU A 22 -2.085 1.633 5.758 1.00 1.00 N ATOM 338 CA LEU A 22 -2.031 0.852 4.534 1.00 1.00 C ATOM 339 C LEU A 22 -1.083 -0.333 4.732 1.00 1.00 C ATOM 340 O LEU A 22 -1.450 -1.477 4.466 1.00 1.00 O ATOM 341 CB LEU A 22 -1.661 1.743 3.346 1.00 1.00 C ATOM 342 CG LEU A 22 -0.507 2.721 3.574 1.00 1.00 C ATOM 343 CD1 LEU A 22 0.631 2.467 2.583 1.00 1.00 C ATOM 344 CD2 LEU A 22 -0.998 4.169 3.524 1.00 1.00 C ATOM 0 H LEU A 22 -1.598 2.528 5.715 1.00 1.00 H new ATOM 0 HA LEU A 22 -3.013 0.440 4.301 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -1.406 1.102 2.502 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -2.543 2.314 3.057 1.00 1.00 H new ATOM 0 HG LEU A 22 -0.107 2.551 4.574 1.00 1.00 H new ATOM 0 HD11 LEU A 22 1.438 3.176 2.767 1.00 1.00 H new ATOM 0 HD12 LEU A 22 1.004 1.451 2.710 1.00 1.00 H new ATOM 0 HD13 LEU A 22 0.262 2.593 1.565 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -0.158 4.844 3.689 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -1.439 4.370 2.548 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -1.747 4.326 4.300 1.00 1.00 H new ATOM 356 N VAL A 23 0.117 -0.019 5.196 1.00 1.00 N ATOM 357 CA VAL A 23 1.120 -1.043 5.433 1.00 1.00 C ATOM 358 C VAL A 23 0.560 -2.084 6.405 1.00 1.00 C ATOM 359 O VAL A 23 0.702 -3.285 6.183 1.00 1.00 O ATOM 360 CB VAL A 23 2.418 -0.401 5.926 1.00 1.00 C ATOM 361 CG1 VAL A 23 2.537 1.043 5.434 1.00 1.00 C ATOM 362 CG2 VAL A 23 2.519 -0.470 7.451 1.00 1.00 C ATOM 0 H VAL A 23 0.418 0.931 5.414 1.00 1.00 H new ATOM 0 HA VAL A 23 1.363 -1.562 4.506 1.00 1.00 H new ATOM 0 HB VAL A 23 3.251 -0.967 5.509 1.00 1.00 H new ATOM 0 HG11 VAL A 23 3.468 1.476 5.799 1.00 1.00 H new ATOM 0 HG12 VAL A 23 2.532 1.058 4.344 1.00 1.00 H new ATOM 0 HG13 VAL A 23 1.695 1.625 5.808 1.00 1.00 H new ATOM 0 HG21 VAL A 23 3.451 -0.007 7.775 1.00 1.00 H new ATOM 0 HG22 VAL A 23 1.676 0.060 7.896 1.00 1.00 H new ATOM 0 HG23 VAL A 23 2.502 -1.512 7.770 1.00 1.00 H new ATOM 372 N GLN A 24 -0.064 -1.584 7.461 1.00 1.00 N ATOM 373 CA GLN A 24 -0.646 -2.455 8.468 1.00 1.00 C ATOM 374 C GLN A 24 -1.654 -3.411 7.825 1.00 1.00 C ATOM 375 O GLN A 24 -1.724 -4.583 8.191 1.00 1.00 O ATOM 376 CB GLN A 24 -1.299 -1.641 9.587 1.00 1.00 C ATOM 377 CG GLN A 24 -2.556 -0.928 9.084 1.00 1.00 C ATOM 378 CD GLN A 24 -3.557 -0.715 10.221 1.00 1.00 C ATOM 379 OE1 GLN A 24 -3.199 -0.563 11.378 1.00 1.00 O ATOM 380 NE2 GLN A 24 -4.828 -0.713 9.830 1.00 1.00 N ATOM 0 H GLN A 24 -0.179 -0.587 7.641 1.00 1.00 H new ATOM 0 HA GLN A 24 0.153 -3.047 8.914 1.00 1.00 H new ATOM 0 HB2 GLN A 24 -1.557 -2.299 10.417 1.00 1.00 H new ATOM 0 HB3 GLN A 24 -0.589 -0.908 9.970 1.00 1.00 H new ATOM 0 HG2 GLN A 24 -2.284 0.034 8.649 1.00 1.00 H new ATOM 0 HG3 GLN A 24 -3.020 -1.516 8.292 1.00 1.00 H new ATOM 0 HE21 GLN A 24 -5.059 -0.846 8.845 1.00 1.00 H new ATOM 0 HE22 GLN A 24 -5.572 -0.579 10.515 1.00 1.00 H new ATOM 389 N THR A 25 -2.409 -2.874 6.878 1.00 1.00 N ATOM 390 CA THR A 25 -3.409 -3.664 6.181 1.00 1.00 C ATOM 391 C THR A 25 -2.776 -4.410 5.005 1.00 1.00 C ATOM 392 O THR A 25 -3.231 -5.490 4.633 1.00 1.00 O ATOM 393 CB THR A 25 -4.545 -2.727 5.765 1.00 1.00 C ATOM 394 OG1 THR A 25 -5.604 -3.045 6.665 1.00 1.00 O ATOM 395 CG2 THR A 25 -5.112 -3.071 4.386 1.00 1.00 C ATOM 0 H THR A 25 -2.348 -1.901 6.577 1.00 1.00 H new ATOM 0 HA THR A 25 -3.825 -4.436 6.829 1.00 1.00 H new ATOM 0 HB THR A 25 -4.185 -1.698 5.763 1.00 1.00 H new ATOM 0 HG1 THR A 25 -6.381 -2.482 6.467 1.00 1.00 H new ATOM 0 HG21 THR A 25 -5.915 -2.376 4.139 1.00 1.00 H new ATOM 0 HG22 THR A 25 -4.323 -2.994 3.638 1.00 1.00 H new ATOM 0 HG23 THR A 25 -5.503 -4.088 4.397 1.00 1.00 H new ATOM 403 N ALA A 26 -1.735 -3.804 4.454 1.00 1.00 N ATOM 404 CA ALA A 26 -1.034 -4.397 3.328 1.00 1.00 C ATOM 405 C ALA A 26 0.025 -5.372 3.848 1.00 1.00 C ATOM 406 O ALA A 26 0.340 -6.361 3.189 1.00 1.00 O ATOM 407 CB ALA A 26 -0.431 -3.290 2.460 1.00 1.00 C ATOM 0 H ALA A 26 -1.360 -2.908 4.766 1.00 1.00 H new ATOM 0 HA ALA A 26 -1.724 -4.962 2.702 1.00 1.00 H new ATOM 0 HB1 ALA A 26 0.095 -3.736 1.615 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -1.227 -2.643 2.091 1.00 1.00 H new ATOM 0 HB3 ALA A 26 0.269 -2.702 3.054 1.00 1.00 H new ATOM 413 N SER A 27 0.545 -5.057 5.025 1.00 1.00 N ATOM 414 CA SER A 27 1.562 -5.893 5.641 1.00 1.00 C ATOM 415 C SER A 27 0.907 -6.904 6.584 1.00 1.00 C ATOM 416 O SER A 27 1.429 -7.181 7.663 1.00 1.00 O ATOM 417 CB SER A 27 2.586 -5.046 6.400 1.00 1.00 C ATOM 418 OG SER A 27 3.875 -5.651 6.411 1.00 1.00 O ATOM 0 H SER A 27 0.282 -4.235 5.568 1.00 1.00 H new ATOM 0 HA SER A 27 2.088 -6.429 4.851 1.00 1.00 H new ATOM 0 HB2 SER A 27 2.652 -4.060 5.941 1.00 1.00 H new ATOM 0 HB3 SER A 27 2.246 -4.898 7.425 1.00 1.00 H new ATOM 0 HG SER A 27 3.820 -6.529 6.842 1.00 1.00 H new ATOM 424 N LYS A 28 -0.227 -7.429 6.143 1.00 1.00 N ATOM 425 CA LYS A 28 -0.958 -8.404 6.934 1.00 1.00 C ATOM 426 C LYS A 28 -1.623 -9.417 6.000 1.00 1.00 C ATOM 427 O LYS A 28 -2.622 -10.037 6.360 1.00 1.00 O ATOM 428 CB LYS A 28 -1.938 -7.702 7.877 1.00 1.00 C ATOM 429 CG LYS A 28 -2.783 -6.674 7.123 1.00 1.00 C ATOM 430 CD LYS A 28 -3.925 -7.353 6.363 1.00 1.00 C ATOM 431 CE LYS A 28 -5.017 -7.827 7.324 1.00 1.00 C ATOM 432 NZ LYS A 28 -5.963 -6.727 7.617 1.00 1.00 N ATOM 0 H LYS A 28 -0.657 -7.197 5.248 1.00 1.00 H new ATOM 0 HA LYS A 28 -0.276 -8.962 7.576 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -2.589 -8.440 8.346 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -1.387 -7.208 8.678 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -3.191 -5.947 7.826 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -2.154 -6.123 6.424 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -4.349 -6.657 5.639 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -3.538 -8.202 5.800 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -5.554 -8.669 6.887 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -4.565 -8.183 8.250 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -6.698 -7.066 8.271 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -5.450 -5.935 8.054 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -6.407 -6.406 6.733 1.00 1.00 H new ATOM 446 N PHE A 29 -1.040 -9.555 4.818 1.00 1.00 N ATOM 447 CA PHE A 29 -1.563 -10.483 3.830 1.00 1.00 C ATOM 448 C PHE A 29 -0.504 -11.511 3.428 1.00 1.00 C ATOM 449 O PHE A 29 0.647 -11.156 3.178 1.00 1.00 O ATOM 450 CB PHE A 29 -1.947 -9.657 2.600 1.00 1.00 C ATOM 451 CG PHE A 29 -2.987 -8.570 2.881 1.00 1.00 C ATOM 452 CD1 PHE A 29 -4.025 -8.823 3.722 1.00 1.00 C ATOM 453 CD2 PHE A 29 -2.873 -7.351 2.289 1.00 1.00 C ATOM 454 CE1 PHE A 29 -4.990 -7.815 3.982 1.00 1.00 C ATOM 455 CE2 PHE A 29 -3.839 -6.343 2.549 1.00 1.00 C ATOM 456 CZ PHE A 29 -4.877 -6.596 3.390 1.00 1.00 C ATOM 0 H PHE A 29 -0.211 -9.040 4.523 1.00 1.00 H new ATOM 0 HA PHE A 29 -2.416 -11.022 4.241 1.00 1.00 H new ATOM 0 HB2 PHE A 29 -1.050 -9.191 2.193 1.00 1.00 H new ATOM 0 HB3 PHE A 29 -2.334 -10.326 1.832 1.00 1.00 H new ATOM 0 HD1 PHE A 29 -4.115 -9.791 4.192 1.00 1.00 H new ATOM 0 HD2 PHE A 29 -2.048 -7.150 1.621 1.00 1.00 H new ATOM 0 HE1 PHE A 29 -5.814 -8.016 4.650 1.00 1.00 H new ATOM 0 HE2 PHE A 29 -3.749 -5.375 2.079 1.00 1.00 H new ATOM 0 HZ PHE A 29 -5.611 -5.829 3.588 1.00 1.00 H new ATOM 466 N ASN A 30 -0.930 -12.764 3.378 1.00 1.00 N ATOM 467 CA ASN A 30 -0.032 -13.846 3.012 1.00 1.00 C ATOM 468 C ASN A 30 0.441 -13.644 1.571 1.00 1.00 C ATOM 469 O ASN A 30 1.276 -14.400 1.076 1.00 1.00 O ATOM 470 CB ASN A 30 -0.740 -15.200 3.091 1.00 1.00 C ATOM 471 CG ASN A 30 -0.972 -15.613 4.546 1.00 1.00 C ATOM 472 OD1 ASN A 30 -0.057 -15.971 5.270 1.00 1.00 O ATOM 473 ND2 ASN A 30 -2.243 -15.545 4.932 1.00 1.00 N ATOM 0 H ASN A 30 -1.886 -13.055 3.585 1.00 1.00 H new ATOM 0 HA ASN A 30 0.808 -13.837 3.707 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -1.695 -15.146 2.568 1.00 1.00 H new ATOM 0 HB3 ASN A 30 -0.141 -15.958 2.585 1.00 1.00 H new ATOM 0 HD21 ASN A 30 -2.501 -15.801 5.885 1.00 1.00 H new ATOM 0 HD22 ASN A 30 -2.960 -15.237 4.275 1.00 1.00 H new ATOM 480 N SER A 31 -0.114 -12.621 0.938 1.00 1.00 N ATOM 481 CA SER A 31 0.241 -12.310 -0.437 1.00 1.00 C ATOM 482 C SER A 31 1.349 -11.255 -0.465 1.00 1.00 C ATOM 483 O SER A 31 1.764 -10.757 0.580 1.00 1.00 O ATOM 484 CB SER A 31 -0.977 -11.821 -1.223 1.00 1.00 C ATOM 485 OG SER A 31 -1.631 -12.885 -1.910 1.00 1.00 O ATOM 0 H SER A 31 -0.807 -11.997 1.351 1.00 1.00 H new ATOM 0 HA SER A 31 0.604 -13.222 -0.911 1.00 1.00 H new ATOM 0 HB2 SER A 31 -1.680 -11.343 -0.541 1.00 1.00 H new ATOM 0 HB3 SER A 31 -0.665 -11.063 -1.942 1.00 1.00 H new ATOM 0 HG SER A 31 -1.546 -12.751 -2.877 1.00 1.00 H new ATOM 491 N ASP A 32 1.798 -10.947 -1.673 1.00 1.00 N ATOM 492 CA ASP A 32 2.850 -9.960 -1.851 1.00 1.00 C ATOM 493 C ASP A 32 2.222 -8.609 -2.199 1.00 1.00 C ATOM 494 O ASP A 32 2.210 -8.207 -3.361 1.00 1.00 O ATOM 495 CB ASP A 32 3.786 -10.355 -2.995 1.00 1.00 C ATOM 496 CG ASP A 32 4.690 -11.556 -2.706 1.00 1.00 C ATOM 497 OD1 ASP A 32 4.795 -11.912 -1.513 1.00 1.00 O ATOM 498 OD2 ASP A 32 5.254 -12.090 -3.685 1.00 1.00 O ATOM 0 H ASP A 32 1.453 -11.363 -2.538 1.00 1.00 H new ATOM 0 HA ASP A 32 3.419 -9.901 -0.923 1.00 1.00 H new ATOM 0 HB2 ASP A 32 3.184 -10.576 -3.877 1.00 1.00 H new ATOM 0 HB3 ASP A 32 4.413 -9.499 -3.243 1.00 1.00 H new ATOM 503 N ILE A 33 1.717 -7.945 -1.170 1.00 1.00 N ATOM 504 CA ILE A 33 1.089 -6.647 -1.352 1.00 1.00 C ATOM 505 C ILE A 33 2.083 -5.548 -0.972 1.00 1.00 C ATOM 506 O ILE A 33 2.664 -5.578 0.111 1.00 1.00 O ATOM 507 CB ILE A 33 -0.230 -6.577 -0.580 1.00 1.00 C ATOM 508 CG1 ILE A 33 -1.093 -5.414 -1.074 1.00 1.00 C ATOM 509 CG2 ILE A 33 0.020 -6.506 0.928 1.00 1.00 C ATOM 510 CD1 ILE A 33 -0.855 -4.159 -0.232 1.00 1.00 C ATOM 0 H ILE A 33 1.730 -8.281 -0.207 1.00 1.00 H new ATOM 0 HA ILE A 33 0.827 -6.493 -2.399 1.00 1.00 H new ATOM 0 HB ILE A 33 -0.787 -7.495 -0.771 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -0.864 -5.204 -2.119 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -2.146 -5.693 -1.029 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -0.934 -6.457 1.453 1.00 1.00 H new ATOM 0 HG22 ILE A 33 0.566 -7.394 1.249 1.00 1.00 H new ATOM 0 HG23 ILE A 33 0.607 -5.617 1.158 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -1.480 -3.347 -0.604 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -1.108 -4.365 0.808 1.00 1.00 H new ATOM 0 HD13 ILE A 33 0.194 -3.869 -0.299 1.00 1.00 H new ATOM 522 N ASN A 34 2.247 -4.602 -1.885 1.00 1.00 N ATOM 523 CA ASN A 34 3.161 -3.494 -1.660 1.00 1.00 C ATOM 524 C ASN A 34 2.532 -2.205 -2.191 1.00 1.00 C ATOM 525 O ASN A 34 1.456 -2.233 -2.785 1.00 1.00 O ATOM 526 CB ASN A 34 4.484 -3.714 -2.396 1.00 1.00 C ATOM 527 CG ASN A 34 5.118 -5.049 -1.999 1.00 1.00 C ATOM 528 OD1 ASN A 34 4.671 -5.732 -1.092 1.00 1.00 O ATOM 529 ND2 ASN A 34 6.181 -5.380 -2.726 1.00 1.00 N ATOM 0 H ASN A 34 1.762 -4.580 -2.782 1.00 1.00 H new ATOM 0 HA ASN A 34 3.352 -3.425 -0.589 1.00 1.00 H new ATOM 0 HB2 ASN A 34 4.313 -3.695 -3.472 1.00 1.00 H new ATOM 0 HB3 ASN A 34 5.171 -2.899 -2.168 1.00 1.00 H new ATOM 0 HD21 ASN A 34 6.675 -6.252 -2.539 1.00 1.00 H new ATOM 0 HD22 ASN A 34 6.502 -4.762 -3.471 1.00 1.00 H new ATOM 536 N LEU A 35 3.232 -1.104 -1.959 1.00 1.00 N ATOM 537 CA LEU A 35 2.756 0.194 -2.406 1.00 1.00 C ATOM 538 C LEU A 35 3.763 0.789 -3.393 1.00 1.00 C ATOM 539 O LEU A 35 4.972 0.664 -3.203 1.00 1.00 O ATOM 540 CB LEU A 35 2.461 1.099 -1.209 1.00 1.00 C ATOM 541 CG LEU A 35 3.439 2.253 -0.983 1.00 1.00 C ATOM 542 CD1 LEU A 35 3.451 3.204 -2.181 1.00 1.00 C ATOM 543 CD2 LEU A 35 3.131 2.984 0.326 1.00 1.00 C ATOM 0 H LEU A 35 4.125 -1.084 -1.467 1.00 1.00 H new ATOM 0 HA LEU A 35 1.810 0.090 -2.938 1.00 1.00 H new ATOM 0 HB2 LEU A 35 1.461 1.515 -1.331 1.00 1.00 H new ATOM 0 HB3 LEU A 35 2.442 0.484 -0.310 1.00 1.00 H new ATOM 0 HG LEU A 35 4.443 1.838 -0.892 1.00 1.00 H new ATOM 0 HD11 LEU A 35 4.154 4.015 -1.994 1.00 1.00 H new ATOM 0 HD12 LEU A 35 3.754 2.659 -3.075 1.00 1.00 H new ATOM 0 HD13 LEU A 35 2.453 3.616 -2.328 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.841 3.800 0.463 1.00 1.00 H new ATOM 0 HD22 LEU A 35 2.119 3.386 0.289 1.00 1.00 H new ATOM 0 HD23 LEU A 35 3.214 2.287 1.160 1.00 1.00 H new ATOM 555 N GLU A 36 3.227 1.423 -4.426 1.00 1.00 N ATOM 556 CA GLU A 36 4.064 2.038 -5.442 1.00 1.00 C ATOM 557 C GLU A 36 3.706 3.517 -5.601 1.00 1.00 C ATOM 558 O GLU A 36 2.612 3.849 -6.054 1.00 1.00 O ATOM 559 CB GLU A 36 3.940 1.297 -6.775 1.00 1.00 C ATOM 560 CG GLU A 36 4.721 2.016 -7.877 1.00 1.00 C ATOM 561 CD GLU A 36 3.828 3.010 -8.623 1.00 1.00 C ATOM 562 OE1 GLU A 36 3.747 4.165 -8.151 1.00 1.00 O ATOM 563 OE2 GLU A 36 3.247 2.592 -9.648 1.00 1.00 O ATOM 0 H GLU A 36 2.224 1.524 -4.581 1.00 1.00 H new ATOM 0 HA GLU A 36 5.103 1.969 -5.120 1.00 1.00 H new ATOM 0 HB2 GLU A 36 4.313 0.279 -6.665 1.00 1.00 H new ATOM 0 HB3 GLU A 36 2.890 1.223 -7.058 1.00 1.00 H new ATOM 0 HG2 GLU A 36 5.571 2.541 -7.442 1.00 1.00 H new ATOM 0 HG3 GLU A 36 5.123 1.285 -8.579 1.00 1.00 H new ATOM 570 N TYR A 37 4.649 4.365 -5.220 1.00 1.00 N ATOM 571 CA TYR A 37 4.447 5.801 -5.314 1.00 1.00 C ATOM 572 C TYR A 37 5.423 6.427 -6.313 1.00 1.00 C ATOM 573 O TYR A 37 6.637 6.296 -6.166 1.00 1.00 O ATOM 574 CB TYR A 37 4.735 6.360 -3.920 1.00 1.00 C ATOM 575 CG TYR A 37 4.744 7.888 -3.851 1.00 1.00 C ATOM 576 CD1 TYR A 37 4.158 8.627 -4.859 1.00 1.00 C ATOM 577 CD2 TYR A 37 5.339 8.528 -2.782 1.00 1.00 C ATOM 578 CE1 TYR A 37 4.167 10.066 -4.794 1.00 1.00 C ATOM 579 CE2 TYR A 37 5.347 9.967 -2.718 1.00 1.00 C ATOM 580 CZ TYR A 37 4.761 10.664 -3.727 1.00 1.00 C ATOM 581 OH TYR A 37 4.769 12.023 -3.667 1.00 1.00 O ATOM 0 H TYR A 37 5.556 4.086 -4.845 1.00 1.00 H new ATOM 0 HA TYR A 37 3.436 6.025 -5.653 1.00 1.00 H new ATOM 0 HB2 TYR A 37 3.986 5.980 -3.226 1.00 1.00 H new ATOM 0 HB3 TYR A 37 5.701 5.986 -3.582 1.00 1.00 H new ATOM 0 HD1 TYR A 37 3.693 8.127 -5.696 1.00 1.00 H new ATOM 0 HD2 TYR A 37 5.798 7.950 -1.994 1.00 1.00 H new ATOM 0 HE1 TYR A 37 3.712 10.657 -5.575 1.00 1.00 H new ATOM 0 HE2 TYR A 37 5.808 10.480 -1.887 1.00 1.00 H new ATOM 0 HH TYR A 37 5.226 12.312 -2.850 1.00 1.00 H new ATOM 591 N LYS A 38 4.855 7.095 -7.306 1.00 1.00 N ATOM 592 CA LYS A 38 5.659 7.742 -8.329 1.00 1.00 C ATOM 593 C LYS A 38 6.261 6.677 -9.248 1.00 1.00 C ATOM 594 O LYS A 38 6.991 7.001 -10.184 1.00 1.00 O ATOM 595 CB LYS A 38 6.700 8.662 -7.689 1.00 1.00 C ATOM 596 CG LYS A 38 6.040 9.655 -6.731 1.00 1.00 C ATOM 597 CD LYS A 38 6.629 11.057 -6.902 1.00 1.00 C ATOM 598 CE LYS A 38 8.009 11.155 -6.249 1.00 1.00 C ATOM 599 NZ LYS A 38 7.966 12.060 -5.079 1.00 1.00 N ATOM 0 H LYS A 38 3.848 7.202 -7.424 1.00 1.00 H new ATOM 0 HA LYS A 38 5.038 8.386 -8.951 1.00 1.00 H new ATOM 0 HB2 LYS A 38 7.435 8.065 -7.150 1.00 1.00 H new ATOM 0 HB3 LYS A 38 7.238 9.204 -8.466 1.00 1.00 H new ATOM 0 HG2 LYS A 38 4.966 9.683 -6.914 1.00 1.00 H new ATOM 0 HG3 LYS A 38 6.179 9.321 -5.703 1.00 1.00 H new ATOM 0 HD2 LYS A 38 6.707 11.296 -7.963 1.00 1.00 H new ATOM 0 HD3 LYS A 38 5.959 11.793 -6.458 1.00 1.00 H new ATOM 0 HE2 LYS A 38 8.342 10.165 -5.938 1.00 1.00 H new ATOM 0 HE3 LYS A 38 8.735 11.522 -6.974 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 8.911 12.115 -4.648 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 7.669 13.009 -5.385 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 7.288 11.693 -4.381 1.00 1.00 H new ATOM 613 N GLY A 39 5.932 5.429 -8.950 1.00 1.00 N ATOM 614 CA GLY A 39 6.431 4.315 -9.737 1.00 1.00 C ATOM 615 C GLY A 39 7.303 3.389 -8.887 1.00 1.00 C ATOM 616 O GLY A 39 7.808 2.381 -9.378 1.00 1.00 O ATOM 0 H GLY A 39 5.325 5.165 -8.174 1.00 1.00 H new ATOM 0 HA2 GLY A 39 5.593 3.753 -10.150 1.00 1.00 H new ATOM 0 HA3 GLY A 39 7.009 4.692 -10.581 1.00 1.00 H new ATOM 620 N LYS A 40 7.452 3.764 -7.625 1.00 1.00 N ATOM 621 CA LYS A 40 8.254 2.980 -6.701 1.00 1.00 C ATOM 622 C LYS A 40 7.341 2.040 -5.911 1.00 1.00 C ATOM 623 O LYS A 40 6.616 2.479 -5.019 1.00 1.00 O ATOM 624 CB LYS A 40 9.105 3.896 -5.819 1.00 1.00 C ATOM 625 CG LYS A 40 9.857 3.092 -4.757 1.00 1.00 C ATOM 626 CD LYS A 40 8.984 2.866 -3.521 1.00 1.00 C ATOM 627 CE LYS A 40 9.763 3.163 -2.238 1.00 1.00 C ATOM 628 NZ LYS A 40 9.980 4.620 -2.089 1.00 1.00 N ATOM 0 H LYS A 40 7.031 4.600 -7.221 1.00 1.00 H new ATOM 0 HA LYS A 40 8.961 2.355 -7.246 1.00 1.00 H new ATOM 0 HB2 LYS A 40 9.817 4.443 -6.437 1.00 1.00 H new ATOM 0 HB3 LYS A 40 8.467 4.636 -5.336 1.00 1.00 H new ATOM 0 HG2 LYS A 40 10.162 2.131 -5.172 1.00 1.00 H new ATOM 0 HG3 LYS A 40 10.767 3.620 -4.472 1.00 1.00 H new ATOM 0 HD2 LYS A 40 8.103 3.505 -3.572 1.00 1.00 H new ATOM 0 HD3 LYS A 40 8.630 1.835 -3.505 1.00 1.00 H new ATOM 0 HE2 LYS A 40 9.216 2.781 -1.376 1.00 1.00 H new ATOM 0 HE3 LYS A 40 10.723 2.647 -2.260 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 10.623 4.795 -1.290 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 10.400 4.999 -2.961 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 9.070 5.090 -1.910 1.00 1.00 H new ATOM 642 N SER A 41 7.408 0.766 -6.265 1.00 1.00 N ATOM 643 CA SER A 41 6.596 -0.240 -5.600 1.00 1.00 C ATOM 644 C SER A 41 7.449 -1.021 -4.599 1.00 1.00 C ATOM 645 O SER A 41 8.358 -1.752 -4.989 1.00 1.00 O ATOM 646 CB SER A 41 5.960 -1.193 -6.614 1.00 1.00 C ATOM 647 OG SER A 41 6.765 -2.348 -6.838 1.00 1.00 O ATOM 0 H SER A 41 8.012 0.406 -7.004 1.00 1.00 H new ATOM 0 HA SER A 41 5.792 0.267 -5.066 1.00 1.00 H new ATOM 0 HB2 SER A 41 4.977 -1.500 -6.256 1.00 1.00 H new ATOM 0 HB3 SER A 41 5.807 -0.669 -7.558 1.00 1.00 H new ATOM 0 HG SER A 41 7.672 -2.184 -6.506 1.00 1.00 H new ATOM 653 N VAL A 42 7.124 -0.841 -3.327 1.00 1.00 N ATOM 654 CA VAL A 42 7.849 -1.521 -2.266 1.00 1.00 C ATOM 655 C VAL A 42 6.877 -1.883 -1.141 1.00 1.00 C ATOM 656 O VAL A 42 5.945 -1.132 -0.855 1.00 1.00 O ATOM 657 CB VAL A 42 9.016 -0.653 -1.791 1.00 1.00 C ATOM 658 CG1 VAL A 42 9.834 -0.138 -2.977 1.00 1.00 C ATOM 659 CG2 VAL A 42 8.521 0.504 -0.922 1.00 1.00 C ATOM 0 H VAL A 42 6.369 -0.235 -3.007 1.00 1.00 H new ATOM 0 HA VAL A 42 8.281 -2.451 -2.634 1.00 1.00 H new ATOM 0 HB VAL A 42 9.669 -1.275 -1.179 1.00 1.00 H new ATOM 0 HG11 VAL A 42 10.657 0.476 -2.612 1.00 1.00 H new ATOM 0 HG12 VAL A 42 10.233 -0.983 -3.538 1.00 1.00 H new ATOM 0 HG13 VAL A 42 9.195 0.460 -3.627 1.00 1.00 H new ATOM 0 HG21 VAL A 42 9.371 1.105 -0.598 1.00 1.00 H new ATOM 0 HG22 VAL A 42 7.836 1.125 -1.499 1.00 1.00 H new ATOM 0 HG23 VAL A 42 8.003 0.107 -0.049 1.00 1.00 H new ATOM 669 N ASN A 43 7.127 -3.033 -0.534 1.00 1.00 N ATOM 670 CA ASN A 43 6.286 -3.504 0.553 1.00 1.00 C ATOM 671 C ASN A 43 5.920 -2.325 1.457 1.00 1.00 C ATOM 672 O ASN A 43 6.595 -2.069 2.453 1.00 1.00 O ATOM 673 CB ASN A 43 7.017 -4.544 1.405 1.00 1.00 C ATOM 674 CG ASN A 43 7.888 -5.452 0.534 1.00 1.00 C ATOM 675 OD1 ASN A 43 7.418 -6.134 -0.361 1.00 1.00 O ATOM 676 ND2 ASN A 43 9.181 -5.422 0.846 1.00 1.00 N ATOM 0 H ASN A 43 7.900 -3.653 -0.774 1.00 1.00 H new ATOM 0 HA ASN A 43 5.395 -3.957 0.118 1.00 1.00 H new ATOM 0 HB2 ASN A 43 7.638 -4.041 2.146 1.00 1.00 H new ATOM 0 HB3 ASN A 43 6.292 -5.146 1.952 1.00 1.00 H new ATOM 0 HD21 ASN A 43 9.845 -5.993 0.323 1.00 1.00 H new ATOM 0 HD22 ASN A 43 9.508 -4.828 1.608 1.00 1.00 H new ATOM 683 N LEU A 44 4.853 -1.638 1.077 1.00 1.00 N ATOM 684 CA LEU A 44 4.390 -0.492 1.840 1.00 1.00 C ATOM 685 C LEU A 44 5.026 -0.520 3.231 1.00 1.00 C ATOM 686 O LEU A 44 5.446 0.514 3.747 1.00 1.00 O ATOM 687 CB LEU A 44 2.861 -0.447 1.864 1.00 1.00 C ATOM 688 CG LEU A 44 2.145 -1.498 1.013 1.00 1.00 C ATOM 689 CD1 LEU A 44 2.404 -2.907 1.549 1.00 1.00 C ATOM 690 CD2 LEU A 44 0.650 -1.191 0.905 1.00 1.00 C ATOM 0 H LEU A 44 4.296 -1.853 0.250 1.00 1.00 H new ATOM 0 HA LEU A 44 4.706 0.436 1.363 1.00 1.00 H new ATOM 0 HB2 LEU A 44 2.530 -0.558 2.897 1.00 1.00 H new ATOM 0 HB3 LEU A 44 2.541 0.540 1.531 1.00 1.00 H new ATOM 0 HG LEU A 44 2.555 -1.457 0.004 1.00 1.00 H new ATOM 0 HD11 LEU A 44 1.884 -3.635 0.926 1.00 1.00 H new ATOM 0 HD12 LEU A 44 3.474 -3.112 1.530 1.00 1.00 H new ATOM 0 HD13 LEU A 44 2.039 -2.979 2.573 1.00 1.00 H new ATOM 0 HD21 LEU A 44 0.165 -1.953 0.295 1.00 1.00 H new ATOM 0 HD22 LEU A 44 0.207 -1.187 1.901 1.00 1.00 H new ATOM 0 HD23 LEU A 44 0.512 -0.214 0.442 1.00 1.00 H new ATOM 702 N LYS A 45 5.077 -1.716 3.799 1.00 1.00 N ATOM 703 CA LYS A 45 5.655 -1.893 5.121 1.00 1.00 C ATOM 704 C LYS A 45 7.158 -1.611 5.057 1.00 1.00 C ATOM 705 O LYS A 45 7.860 -1.743 6.058 1.00 1.00 O ATOM 706 CB LYS A 45 5.312 -3.277 5.675 1.00 1.00 C ATOM 707 CG LYS A 45 6.364 -4.309 5.262 1.00 1.00 C ATOM 708 CD LYS A 45 7.237 -4.709 6.453 1.00 1.00 C ATOM 709 CE LYS A 45 8.239 -5.796 6.057 1.00 1.00 C ATOM 710 NZ LYS A 45 9.296 -5.924 7.085 1.00 1.00 N ATOM 0 H LYS A 45 4.728 -2.572 3.368 1.00 1.00 H new ATOM 0 HA LYS A 45 5.225 -1.179 5.824 1.00 1.00 H new ATOM 0 HB2 LYS A 45 5.249 -3.232 6.762 1.00 1.00 H new ATOM 0 HB3 LYS A 45 4.332 -3.586 5.311 1.00 1.00 H new ATOM 0 HG2 LYS A 45 5.872 -5.192 4.854 1.00 1.00 H new ATOM 0 HG3 LYS A 45 6.990 -3.899 4.469 1.00 1.00 H new ATOM 0 HD2 LYS A 45 7.771 -3.835 6.827 1.00 1.00 H new ATOM 0 HD3 LYS A 45 6.607 -5.069 7.266 1.00 1.00 H new ATOM 0 HE2 LYS A 45 7.723 -6.749 5.937 1.00 1.00 H new ATOM 0 HE3 LYS A 45 8.687 -5.552 5.094 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 9.968 -6.665 6.802 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 9.799 -5.019 7.180 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 8.865 -6.178 7.997 1.00 1.00 H new ATOM 724 N SER A 46 7.606 -1.227 3.871 1.00 1.00 N ATOM 725 CA SER A 46 9.012 -0.925 3.664 1.00 1.00 C ATOM 726 C SER A 46 9.284 0.546 3.984 1.00 1.00 C ATOM 727 O SER A 46 9.573 1.337 3.088 1.00 1.00 O ATOM 728 CB SER A 46 9.438 -1.244 2.229 1.00 1.00 C ATOM 729 OG SER A 46 10.846 -1.433 2.121 1.00 1.00 O ATOM 0 H SER A 46 7.020 -1.118 3.043 1.00 1.00 H new ATOM 0 HA SER A 46 9.599 -1.551 4.336 1.00 1.00 H new ATOM 0 HB2 SER A 46 8.924 -2.143 1.889 1.00 1.00 H new ATOM 0 HB3 SER A 46 9.129 -0.432 1.570 1.00 1.00 H new ATOM 0 HG SER A 46 11.078 -1.636 1.191 1.00 1.00 H new ATOM 735 N ILE A 47 9.182 0.868 5.265 1.00 1.00 N ATOM 736 CA ILE A 47 9.414 2.230 5.715 1.00 1.00 C ATOM 737 C ILE A 47 10.601 2.820 4.951 1.00 1.00 C ATOM 738 O ILE A 47 10.496 3.901 4.373 1.00 1.00 O ATOM 739 CB ILE A 47 9.580 2.271 7.236 1.00 1.00 C ATOM 740 CG1 ILE A 47 8.646 3.310 7.861 1.00 1.00 C ATOM 741 CG2 ILE A 47 11.041 2.508 7.622 1.00 1.00 C ATOM 742 CD1 ILE A 47 7.199 3.083 7.419 1.00 1.00 C ATOM 0 H ILE A 47 8.942 0.209 6.006 1.00 1.00 H new ATOM 0 HA ILE A 47 8.549 2.856 5.495 1.00 1.00 H new ATOM 0 HB ILE A 47 9.295 1.298 7.637 1.00 1.00 H new ATOM 0 HG12 ILE A 47 8.711 3.255 8.948 1.00 1.00 H new ATOM 0 HG13 ILE A 47 8.965 4.311 7.572 1.00 1.00 H new ATOM 0 HG21 ILE A 47 11.131 2.533 8.708 1.00 1.00 H new ATOM 0 HG22 ILE A 47 11.658 1.702 7.225 1.00 1.00 H new ATOM 0 HG23 ILE A 47 11.377 3.459 7.208 1.00 1.00 H new ATOM 0 HD11 ILE A 47 6.556 3.835 7.877 1.00 1.00 H new ATOM 0 HD12 ILE A 47 7.133 3.162 6.334 1.00 1.00 H new ATOM 0 HD13 ILE A 47 6.875 2.090 7.730 1.00 1.00 H new ATOM 754 N MET A 48 11.702 2.084 4.973 1.00 1.00 N ATOM 755 CA MET A 48 12.908 2.521 4.289 1.00 1.00 C ATOM 756 C MET A 48 12.573 3.144 2.932 1.00 1.00 C ATOM 757 O MET A 48 12.630 4.363 2.774 1.00 1.00 O ATOM 758 CB MET A 48 13.841 1.326 4.086 1.00 1.00 C ATOM 759 CG MET A 48 15.062 1.719 3.252 1.00 1.00 C ATOM 760 SD MET A 48 15.648 0.312 2.324 1.00 1.00 S ATOM 761 CE MET A 48 14.246 0.043 1.252 1.00 1.00 C ATOM 0 H MET A 48 11.785 1.188 5.453 1.00 1.00 H new ATOM 0 HA MET A 48 13.399 3.276 4.903 1.00 1.00 H new ATOM 0 HB2 MET A 48 14.165 0.945 5.054 1.00 1.00 H new ATOM 0 HB3 MET A 48 13.302 0.519 3.590 1.00 1.00 H new ATOM 0 HG2 MET A 48 14.802 2.530 2.572 1.00 1.00 H new ATOM 0 HG3 MET A 48 15.853 2.090 3.903 1.00 1.00 H new ATOM 0 HE1 MET A 48 14.525 -0.645 0.454 1.00 1.00 H new ATOM 0 HE2 MET A 48 13.424 -0.383 1.828 1.00 1.00 H new ATOM 0 HE3 MET A 48 13.931 0.993 0.819 1.00 1.00 H new ATOM 771 N GLY A 49 12.232 2.280 1.988 1.00 1.00 N ATOM 772 CA GLY A 49 11.889 2.731 0.650 1.00 1.00 C ATOM 773 C GLY A 49 10.754 3.756 0.691 1.00 1.00 C ATOM 774 O GLY A 49 10.843 4.811 0.065 1.00 1.00 O ATOM 0 H GLY A 49 12.186 1.270 2.123 1.00 1.00 H new ATOM 0 HA2 GLY A 49 12.765 3.172 0.175 1.00 1.00 H new ATOM 0 HA3 GLY A 49 11.592 1.878 0.040 1.00 1.00 H new ATOM 778 N VAL A 50 9.714 3.411 1.435 1.00 1.00 N ATOM 779 CA VAL A 50 8.563 4.288 1.566 1.00 1.00 C ATOM 780 C VAL A 50 9.009 5.619 2.176 1.00 1.00 C ATOM 781 O VAL A 50 8.707 6.684 1.640 1.00 1.00 O ATOM 782 CB VAL A 50 7.467 3.595 2.378 1.00 1.00 C ATOM 783 CG1 VAL A 50 7.036 4.458 3.565 1.00 1.00 C ATOM 784 CG2 VAL A 50 6.269 3.243 1.493 1.00 1.00 C ATOM 0 H VAL A 50 9.644 2.536 1.954 1.00 1.00 H new ATOM 0 HA VAL A 50 8.135 4.506 0.588 1.00 1.00 H new ATOM 0 HB VAL A 50 7.878 2.665 2.771 1.00 1.00 H new ATOM 0 HG11 VAL A 50 6.256 3.942 4.126 1.00 1.00 H new ATOM 0 HG12 VAL A 50 7.893 4.636 4.215 1.00 1.00 H new ATOM 0 HG13 VAL A 50 6.652 5.411 3.201 1.00 1.00 H new ATOM 0 HG21 VAL A 50 5.504 2.751 2.094 1.00 1.00 H new ATOM 0 HG22 VAL A 50 5.858 4.154 1.058 1.00 1.00 H new ATOM 0 HG23 VAL A 50 6.590 2.573 0.696 1.00 1.00 H new ATOM 794 N MET A 51 9.719 5.514 3.289 1.00 1.00 N ATOM 795 CA MET A 51 10.210 6.696 3.978 1.00 1.00 C ATOM 796 C MET A 51 10.747 7.727 2.984 1.00 1.00 C ATOM 797 O MET A 51 10.339 8.887 3.005 1.00 1.00 O ATOM 798 CB MET A 51 11.321 6.296 4.950 1.00 1.00 C ATOM 799 CG MET A 51 12.082 7.526 5.449 1.00 1.00 C ATOM 800 SD MET A 51 11.785 7.762 7.193 1.00 1.00 S ATOM 801 CE MET A 51 10.090 7.212 7.296 1.00 1.00 C ATOM 0 H MET A 51 9.966 4.629 3.731 1.00 1.00 H new ATOM 0 HA MET A 51 9.381 7.145 4.525 1.00 1.00 H new ATOM 0 HB2 MET A 51 10.892 5.761 5.797 1.00 1.00 H new ATOM 0 HB3 MET A 51 12.012 5.612 4.457 1.00 1.00 H new ATOM 0 HG2 MET A 51 13.150 7.402 5.267 1.00 1.00 H new ATOM 0 HG3 MET A 51 11.765 8.409 4.895 1.00 1.00 H new ATOM 0 HE1 MET A 51 9.617 7.653 8.174 1.00 1.00 H new ATOM 0 HE2 MET A 51 9.552 7.522 6.400 1.00 1.00 H new ATOM 0 HE3 MET A 51 10.064 6.125 7.377 1.00 1.00 H new ATOM 811 N SER A 52 11.655 7.266 2.135 1.00 1.00 N ATOM 812 CA SER A 52 12.253 8.133 1.135 1.00 1.00 C ATOM 813 C SER A 52 11.168 8.696 0.215 1.00 1.00 C ATOM 814 O SER A 52 11.350 9.750 -0.393 1.00 1.00 O ATOM 815 CB SER A 52 13.307 7.385 0.316 1.00 1.00 C ATOM 816 OG SER A 52 12.719 6.569 -0.693 1.00 1.00 O ATOM 0 H SER A 52 11.991 6.303 2.120 1.00 1.00 H new ATOM 0 HA SER A 52 12.749 8.957 1.649 1.00 1.00 H new ATOM 0 HB2 SER A 52 13.983 8.104 -0.147 1.00 1.00 H new ATOM 0 HB3 SER A 52 13.908 6.764 0.980 1.00 1.00 H new ATOM 0 HG SER A 52 12.269 5.805 -0.275 1.00 1.00 H new ATOM 822 N LEU A 53 10.063 7.969 0.141 1.00 1.00 N ATOM 823 CA LEU A 53 8.949 8.382 -0.695 1.00 1.00 C ATOM 824 C LEU A 53 7.939 9.156 0.155 1.00 1.00 C ATOM 825 O LEU A 53 8.028 10.377 0.273 1.00 1.00 O ATOM 826 CB LEU A 53 8.346 7.177 -1.419 1.00 1.00 C ATOM 827 CG LEU A 53 8.546 7.138 -2.936 1.00 1.00 C ATOM 828 CD1 LEU A 53 8.004 5.835 -3.527 1.00 1.00 C ATOM 829 CD2 LEU A 53 7.930 8.369 -3.602 1.00 1.00 C ATOM 0 H LEU A 53 9.915 7.096 0.647 1.00 1.00 H new ATOM 0 HA LEU A 53 9.292 9.057 -1.479 1.00 1.00 H new ATOM 0 HB2 LEU A 53 8.774 6.270 -0.992 1.00 1.00 H new ATOM 0 HB3 LEU A 53 7.276 7.152 -1.213 1.00 1.00 H new ATOM 0 HG LEU A 53 9.616 7.164 -3.140 1.00 1.00 H new ATOM 0 HD11 LEU A 53 8.159 5.833 -4.606 1.00 1.00 H new ATOM 0 HD12 LEU A 53 8.528 4.989 -3.084 1.00 1.00 H new ATOM 0 HD13 LEU A 53 6.938 5.754 -3.313 1.00 1.00 H new ATOM 0 HD21 LEU A 53 8.086 8.316 -4.679 1.00 1.00 H new ATOM 0 HD22 LEU A 53 6.861 8.400 -3.391 1.00 1.00 H new ATOM 0 HD23 LEU A 53 8.403 9.270 -3.210 1.00 1.00 H new ATOM 841 N GLY A 54 7.002 8.414 0.726 1.00 1.00 N ATOM 842 CA GLY A 54 5.976 9.015 1.562 1.00 1.00 C ATOM 843 C GLY A 54 5.048 9.906 0.735 1.00 1.00 C ATOM 844 O GLY A 54 5.501 10.854 0.094 1.00 1.00 O ATOM 0 H GLY A 54 6.931 7.401 0.626 1.00 1.00 H new ATOM 0 HA2 GLY A 54 5.395 8.232 2.050 1.00 1.00 H new ATOM 0 HA3 GLY A 54 6.444 9.604 2.351 1.00 1.00 H new ATOM 848 N VAL A 55 3.767 9.572 0.776 1.00 1.00 N ATOM 849 CA VAL A 55 2.771 10.330 0.038 1.00 1.00 C ATOM 850 C VAL A 55 1.928 11.147 1.020 1.00 1.00 C ATOM 851 O VAL A 55 2.209 11.168 2.217 1.00 1.00 O ATOM 852 CB VAL A 55 1.934 9.389 -0.830 1.00 1.00 C ATOM 853 CG1 VAL A 55 2.388 9.440 -2.290 1.00 1.00 C ATOM 854 CG2 VAL A 55 1.980 7.958 -0.290 1.00 1.00 C ATOM 0 H VAL A 55 3.395 8.786 1.309 1.00 1.00 H new ATOM 0 HA VAL A 55 3.252 11.034 -0.641 1.00 1.00 H new ATOM 0 HB VAL A 55 0.899 9.728 -0.790 1.00 1.00 H new ATOM 0 HG11 VAL A 55 1.776 8.762 -2.885 1.00 1.00 H new ATOM 0 HG12 VAL A 55 2.278 10.456 -2.670 1.00 1.00 H new ATOM 0 HG13 VAL A 55 3.433 9.139 -2.357 1.00 1.00 H new ATOM 0 HG21 VAL A 55 1.377 7.310 -0.926 1.00 1.00 H new ATOM 0 HG22 VAL A 55 3.011 7.604 -0.285 1.00 1.00 H new ATOM 0 HG23 VAL A 55 1.585 7.940 0.726 1.00 1.00 H new ATOM 864 N GLY A 56 0.912 11.800 0.477 1.00 1.00 N ATOM 865 CA GLY A 56 0.026 12.616 1.289 1.00 1.00 C ATOM 866 C GLY A 56 -0.692 13.663 0.435 1.00 1.00 C ATOM 867 O GLY A 56 -1.794 13.420 -0.054 1.00 1.00 O ATOM 0 H GLY A 56 0.682 11.781 -0.517 1.00 1.00 H new ATOM 0 HA2 GLY A 56 -0.708 11.980 1.784 1.00 1.00 H new ATOM 0 HA3 GLY A 56 0.599 13.112 2.073 1.00 1.00 H new ATOM 871 N GLN A 57 -0.039 14.806 0.283 1.00 1.00 N ATOM 872 CA GLN A 57 -0.601 15.891 -0.503 1.00 1.00 C ATOM 873 C GLN A 57 -1.211 15.348 -1.797 1.00 1.00 C ATOM 874 O GLN A 57 -0.558 15.342 -2.839 1.00 1.00 O ATOM 875 CB GLN A 57 0.455 16.958 -0.799 1.00 1.00 C ATOM 876 CG GLN A 57 0.287 18.166 0.124 1.00 1.00 C ATOM 877 CD GLN A 57 1.458 19.139 -0.028 1.00 1.00 C ATOM 878 OE1 GLN A 57 2.538 18.786 -0.473 1.00 1.00 O ATOM 879 NE2 GLN A 57 1.186 20.380 0.366 1.00 1.00 N ATOM 0 H GLN A 57 0.875 15.004 0.691 1.00 1.00 H new ATOM 0 HA GLN A 57 -1.393 16.363 0.079 1.00 1.00 H new ATOM 0 HB2 GLN A 57 1.451 16.534 -0.672 1.00 1.00 H new ATOM 0 HB3 GLN A 57 0.374 17.276 -1.838 1.00 1.00 H new ATOM 0 HG2 GLN A 57 -0.648 18.677 -0.107 1.00 1.00 H new ATOM 0 HG3 GLN A 57 0.220 17.831 1.159 1.00 1.00 H new ATOM 0 HE21 GLN A 57 0.261 20.609 0.729 1.00 1.00 H new ATOM 0 HE22 GLN A 57 1.903 21.103 0.305 1.00 1.00 H new ATOM 888 N GLY A 58 -2.455 14.906 -1.687 1.00 1.00 N ATOM 889 CA GLY A 58 -3.159 14.362 -2.836 1.00 1.00 C ATOM 890 C GLY A 58 -2.251 13.438 -3.650 1.00 1.00 C ATOM 891 O GLY A 58 -2.592 13.053 -4.767 1.00 1.00 O ATOM 0 H GLY A 58 -2.993 14.913 -0.821 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -4.038 13.811 -2.501 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -3.515 15.176 -3.467 1.00 1.00 H new ATOM 895 N SER A 59 -1.113 13.109 -3.057 1.00 1.00 N ATOM 896 CA SER A 59 -0.153 12.237 -3.713 1.00 1.00 C ATOM 897 C SER A 59 -0.865 11.005 -4.277 1.00 1.00 C ATOM 898 O SER A 59 -2.009 10.728 -3.921 1.00 1.00 O ATOM 899 CB SER A 59 0.956 11.814 -2.748 1.00 1.00 C ATOM 900 OG SER A 59 1.379 12.890 -1.916 1.00 1.00 O ATOM 0 H SER A 59 -0.834 13.430 -2.130 1.00 1.00 H new ATOM 0 HA SER A 59 0.307 12.790 -4.532 1.00 1.00 H new ATOM 0 HB2 SER A 59 0.601 10.993 -2.126 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.807 11.439 -3.316 1.00 1.00 H new ATOM 0 HG SER A 59 2.323 12.771 -1.682 1.00 1.00 H new ATOM 906 N ASP A 60 -0.158 10.300 -5.148 1.00 1.00 N ATOM 907 CA ASP A 60 -0.708 9.104 -5.764 1.00 1.00 C ATOM 908 C ASP A 60 0.300 7.960 -5.636 1.00 1.00 C ATOM 909 O ASP A 60 1.508 8.186 -5.674 1.00 1.00 O ATOM 910 CB ASP A 60 -0.982 9.329 -7.253 1.00 1.00 C ATOM 911 CG ASP A 60 0.265 9.512 -8.119 1.00 1.00 C ATOM 912 OD1 ASP A 60 0.894 10.584 -7.989 1.00 1.00 O ATOM 913 OD2 ASP A 60 0.562 8.576 -8.893 1.00 1.00 O ATOM 0 H ASP A 60 0.790 10.534 -5.442 1.00 1.00 H new ATOM 0 HA ASP A 60 -1.642 8.862 -5.257 1.00 1.00 H new ATOM 0 HB2 ASP A 60 -1.550 8.481 -7.635 1.00 1.00 H new ATOM 0 HB3 ASP A 60 -1.614 10.210 -7.362 1.00 1.00 H new ATOM 918 N VAL A 61 -0.235 6.757 -5.486 1.00 1.00 N ATOM 919 CA VAL A 61 0.603 5.577 -5.353 1.00 1.00 C ATOM 920 C VAL A 61 -0.117 4.374 -5.965 1.00 1.00 C ATOM 921 O VAL A 61 -1.281 4.473 -6.352 1.00 1.00 O ATOM 922 CB VAL A 61 0.978 5.366 -3.884 1.00 1.00 C ATOM 923 CG1 VAL A 61 1.788 6.549 -3.350 1.00 1.00 C ATOM 924 CG2 VAL A 61 -0.268 5.123 -3.030 1.00 1.00 C ATOM 0 H VAL A 61 -1.238 6.574 -5.454 1.00 1.00 H new ATOM 0 HA VAL A 61 1.538 5.708 -5.898 1.00 1.00 H new ATOM 0 HB VAL A 61 1.605 4.476 -3.822 1.00 1.00 H new ATOM 0 HG11 VAL A 61 2.042 6.374 -2.304 1.00 1.00 H new ATOM 0 HG12 VAL A 61 2.703 6.656 -3.932 1.00 1.00 H new ATOM 0 HG13 VAL A 61 1.197 7.461 -3.432 1.00 1.00 H new ATOM 0 HG21 VAL A 61 0.026 4.976 -1.991 1.00 1.00 H new ATOM 0 HG22 VAL A 61 -0.931 5.985 -3.101 1.00 1.00 H new ATOM 0 HG23 VAL A 61 -0.788 4.235 -3.389 1.00 1.00 H new ATOM 934 N THR A 62 0.604 3.265 -6.033 1.00 1.00 N ATOM 935 CA THR A 62 0.049 2.044 -6.592 1.00 1.00 C ATOM 936 C THR A 62 0.277 0.870 -5.638 1.00 1.00 C ATOM 937 O THR A 62 1.378 0.690 -5.121 1.00 1.00 O ATOM 938 CB THR A 62 0.668 1.833 -7.975 1.00 1.00 C ATOM 939 OG1 THR A 62 -0.288 2.392 -8.872 1.00 1.00 O ATOM 940 CG2 THR A 62 0.730 0.356 -8.369 1.00 1.00 C ATOM 0 H THR A 62 1.568 3.186 -5.710 1.00 1.00 H new ATOM 0 HA THR A 62 -1.032 2.119 -6.712 1.00 1.00 H new ATOM 0 HB THR A 62 1.673 2.256 -7.992 1.00 1.00 H new ATOM 0 HG1 THR A 62 -0.265 3.370 -8.807 1.00 1.00 H new ATOM 0 HG21 THR A 62 1.177 0.262 -9.358 1.00 1.00 H new ATOM 0 HG22 THR A 62 1.335 -0.189 -7.644 1.00 1.00 H new ATOM 0 HG23 THR A 62 -0.278 -0.059 -8.386 1.00 1.00 H new ATOM 948 N ILE A 63 -0.782 0.100 -5.435 1.00 1.00 N ATOM 949 CA ILE A 63 -0.712 -1.052 -4.552 1.00 1.00 C ATOM 950 C ILE A 63 -0.660 -2.330 -5.392 1.00 1.00 C ATOM 951 O ILE A 63 -1.173 -2.364 -6.510 1.00 1.00 O ATOM 952 CB ILE A 63 -1.862 -1.026 -3.543 1.00 1.00 C ATOM 953 CG1 ILE A 63 -1.333 -1.076 -2.108 1.00 1.00 C ATOM 954 CG2 ILE A 63 -2.864 -2.147 -3.825 1.00 1.00 C ATOM 955 CD1 ILE A 63 -1.261 0.326 -1.501 1.00 1.00 C ATOM 0 H ILE A 63 -1.694 0.251 -5.867 1.00 1.00 H new ATOM 0 HA ILE A 63 0.202 -1.022 -3.959 1.00 1.00 H new ATOM 0 HB ILE A 63 -2.395 -0.082 -3.656 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -1.981 -1.707 -1.500 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -0.343 -1.532 -2.097 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -3.671 -2.106 -3.094 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -3.275 -2.024 -4.827 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -2.360 -3.111 -3.756 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -0.882 0.262 -0.481 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -0.593 0.947 -2.098 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -2.257 0.770 -1.491 1.00 1.00 H new ATOM 967 N THR A 64 -0.035 -3.350 -4.822 1.00 1.00 N ATOM 968 CA THR A 64 0.090 -4.626 -5.505 1.00 1.00 C ATOM 969 C THR A 64 -0.133 -5.779 -4.525 1.00 1.00 C ATOM 970 O THR A 64 0.123 -5.641 -3.329 1.00 1.00 O ATOM 971 CB THR A 64 1.459 -4.665 -6.187 1.00 1.00 C ATOM 972 OG1 THR A 64 1.665 -3.326 -6.629 1.00 1.00 O ATOM 973 CG2 THR A 64 1.447 -5.486 -7.478 1.00 1.00 C ATOM 0 H THR A 64 0.390 -3.318 -3.895 1.00 1.00 H new ATOM 0 HA THR A 64 -0.675 -4.740 -6.273 1.00 1.00 H new ATOM 0 HB THR A 64 2.195 -5.081 -5.499 1.00 1.00 H new ATOM 0 HG1 THR A 64 2.532 -3.261 -7.082 1.00 1.00 H new ATOM 0 HG21 THR A 64 2.443 -5.481 -7.922 1.00 1.00 H new ATOM 0 HG22 THR A 64 1.155 -6.512 -7.254 1.00 1.00 H new ATOM 0 HG23 THR A 64 0.735 -5.051 -8.179 1.00 1.00 H new ATOM 981 N VAL A 65 -0.608 -6.891 -5.067 1.00 1.00 N ATOM 982 CA VAL A 65 -0.868 -8.068 -4.255 1.00 1.00 C ATOM 983 C VAL A 65 -0.548 -9.324 -5.067 1.00 1.00 C ATOM 984 O VAL A 65 -1.281 -9.675 -5.989 1.00 1.00 O ATOM 985 CB VAL A 65 -2.309 -8.040 -3.741 1.00 1.00 C ATOM 986 CG1 VAL A 65 -3.301 -8.308 -4.875 1.00 1.00 C ATOM 987 CG2 VAL A 65 -2.503 -9.036 -2.596 1.00 1.00 C ATOM 0 H VAL A 65 -0.820 -7.002 -6.059 1.00 1.00 H new ATOM 0 HA VAL A 65 -0.223 -8.076 -3.377 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.506 -7.041 -3.352 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -4.318 -8.283 -4.483 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -3.190 -7.544 -5.644 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -3.103 -9.289 -5.307 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -3.536 -8.996 -2.250 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -2.277 -10.043 -2.947 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -1.834 -8.780 -1.774 1.00 1.00 H new ATOM 997 N ASP A 66 0.550 -9.966 -4.694 1.00 1.00 N ATOM 998 CA ASP A 66 0.977 -11.176 -5.377 1.00 1.00 C ATOM 999 C ASP A 66 1.138 -12.303 -4.355 1.00 1.00 C ATOM 1000 O ASP A 66 2.008 -12.239 -3.487 1.00 1.00 O ATOM 1001 CB ASP A 66 2.325 -10.970 -6.070 1.00 1.00 C ATOM 1002 CG ASP A 66 2.856 -9.536 -6.038 1.00 1.00 C ATOM 1003 OD1 ASP A 66 2.040 -8.622 -6.285 1.00 1.00 O ATOM 1004 OD2 ASP A 66 4.068 -9.385 -5.769 1.00 1.00 O ATOM 0 H ASP A 66 1.156 -9.671 -3.928 1.00 1.00 H new ATOM 0 HA ASP A 66 0.223 -11.427 -6.123 1.00 1.00 H new ATOM 0 HB2 ASP A 66 3.061 -11.624 -5.602 1.00 1.00 H new ATOM 0 HB3 ASP A 66 2.234 -11.285 -7.110 1.00 1.00 H new ATOM 1009 N GLY A 67 0.287 -13.309 -4.491 1.00 1.00 N ATOM 1010 CA GLY A 67 0.324 -14.448 -3.590 1.00 1.00 C ATOM 1011 C GLY A 67 -1.058 -15.093 -3.464 1.00 1.00 C ATOM 1012 O GLY A 67 -1.720 -15.353 -4.468 1.00 1.00 O ATOM 0 H GLY A 67 -0.433 -13.359 -5.212 1.00 1.00 H new ATOM 0 HA2 GLY A 67 1.040 -15.183 -3.957 1.00 1.00 H new ATOM 0 HA3 GLY A 67 0.671 -14.128 -2.607 1.00 1.00 H new ATOM 1016 N ALA A 68 -1.453 -15.332 -2.222 1.00 1.00 N ATOM 1017 CA ALA A 68 -2.744 -15.941 -1.952 1.00 1.00 C ATOM 1018 C ALA A 68 -3.761 -14.846 -1.624 1.00 1.00 C ATOM 1019 O ALA A 68 -4.707 -14.626 -2.380 1.00 1.00 O ATOM 1020 CB ALA A 68 -2.601 -16.961 -0.820 1.00 1.00 C ATOM 0 H ALA A 68 -0.902 -15.115 -1.392 1.00 1.00 H new ATOM 0 HA ALA A 68 -3.107 -16.476 -2.830 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -3.570 -17.418 -0.617 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -1.890 -17.733 -1.114 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -2.241 -16.459 0.078 1.00 1.00 H new ATOM 1026 N ASP A 69 -3.533 -14.188 -0.498 1.00 1.00 N ATOM 1027 CA ASP A 69 -4.417 -13.121 -0.061 1.00 1.00 C ATOM 1028 C ASP A 69 -4.857 -12.300 -1.275 1.00 1.00 C ATOM 1029 O ASP A 69 -5.941 -11.719 -1.276 1.00 1.00 O ATOM 1030 CB ASP A 69 -3.706 -12.180 0.914 1.00 1.00 C ATOM 1031 CG ASP A 69 -4.183 -12.272 2.365 1.00 1.00 C ATOM 1032 OD1 ASP A 69 -3.845 -13.288 3.010 1.00 1.00 O ATOM 1033 OD2 ASP A 69 -4.874 -11.324 2.796 1.00 1.00 O ATOM 0 H ASP A 69 -2.748 -14.373 0.126 1.00 1.00 H new ATOM 0 HA ASP A 69 -5.273 -13.576 0.437 1.00 1.00 H new ATOM 0 HB2 ASP A 69 -2.637 -12.391 0.885 1.00 1.00 H new ATOM 0 HB3 ASP A 69 -3.838 -11.155 0.568 1.00 1.00 H new ATOM 1038 N GLU A 70 -3.992 -12.278 -2.279 1.00 1.00 N ATOM 1039 CA GLU A 70 -4.278 -11.538 -3.496 1.00 1.00 C ATOM 1040 C GLU A 70 -5.518 -10.662 -3.307 1.00 1.00 C ATOM 1041 O GLU A 70 -5.405 -9.482 -2.980 1.00 1.00 O ATOM 1042 CB GLU A 70 -4.451 -12.485 -4.686 1.00 1.00 C ATOM 1043 CG GLU A 70 -3.417 -13.612 -4.645 1.00 1.00 C ATOM 1044 CD GLU A 70 -3.946 -14.866 -5.343 1.00 1.00 C ATOM 1045 OE1 GLU A 70 -4.925 -15.438 -4.818 1.00 1.00 O ATOM 1046 OE2 GLU A 70 -3.359 -15.225 -6.387 1.00 1.00 O ATOM 0 H GLU A 70 -3.093 -12.761 -2.274 1.00 1.00 H new ATOM 0 HA GLU A 70 -3.429 -10.889 -3.711 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -5.456 -12.908 -4.676 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -4.349 -11.927 -5.617 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -2.496 -13.284 -5.128 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -3.169 -13.845 -3.610 1.00 1.00 H new ATOM 1053 N ALA A 71 -6.673 -11.274 -3.520 1.00 1.00 N ATOM 1054 CA ALA A 71 -7.933 -10.566 -3.377 1.00 1.00 C ATOM 1055 C ALA A 71 -8.004 -9.936 -1.984 1.00 1.00 C ATOM 1056 O ALA A 71 -7.844 -8.726 -1.837 1.00 1.00 O ATOM 1057 CB ALA A 71 -9.094 -11.527 -3.642 1.00 1.00 C ATOM 0 H ALA A 71 -6.763 -12.253 -3.791 1.00 1.00 H new ATOM 0 HA ALA A 71 -8.004 -9.760 -4.108 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -10.039 -10.994 -3.534 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -9.014 -11.924 -4.654 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -9.057 -12.348 -2.926 1.00 1.00 H new ATOM 1063 N GLU A 72 -8.244 -10.787 -0.997 1.00 1.00 N ATOM 1064 CA GLU A 72 -8.338 -10.329 0.379 1.00 1.00 C ATOM 1065 C GLU A 72 -7.293 -9.245 0.650 1.00 1.00 C ATOM 1066 O GLU A 72 -7.627 -8.159 1.121 1.00 1.00 O ATOM 1067 CB GLU A 72 -8.184 -11.496 1.357 1.00 1.00 C ATOM 1068 CG GLU A 72 -8.088 -12.828 0.610 1.00 1.00 C ATOM 1069 CD GLU A 72 -9.446 -13.233 0.033 1.00 1.00 C ATOM 1070 OE1 GLU A 72 -10.374 -12.400 0.128 1.00 1.00 O ATOM 1071 OE2 GLU A 72 -9.526 -14.366 -0.489 1.00 1.00 O ATOM 0 H GLU A 72 -8.376 -11.791 -1.123 1.00 1.00 H new ATOM 0 HA GLU A 72 -9.328 -9.898 0.531 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -7.291 -11.351 1.965 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -9.034 -11.518 2.039 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -7.357 -12.746 -0.194 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -7.731 -13.604 1.287 1.00 1.00 H new ATOM 1078 N GLY A 73 -6.048 -9.578 0.341 1.00 1.00 N ATOM 1079 CA GLY A 73 -4.952 -8.646 0.546 1.00 1.00 C ATOM 1080 C GLY A 73 -5.293 -7.265 -0.018 1.00 1.00 C ATOM 1081 O GLY A 73 -5.675 -6.364 0.727 1.00 1.00 O ATOM 0 H GLY A 73 -5.774 -10.480 -0.049 1.00 1.00 H new ATOM 0 HA2 GLY A 73 -4.734 -8.564 1.611 1.00 1.00 H new ATOM 0 HA3 GLY A 73 -4.051 -9.027 0.065 1.00 1.00 H new ATOM 1085 N MET A 74 -5.143 -7.143 -1.329 1.00 1.00 N ATOM 1086 CA MET A 74 -5.430 -5.887 -2.001 1.00 1.00 C ATOM 1087 C MET A 74 -6.823 -5.373 -1.630 1.00 1.00 C ATOM 1088 O MET A 74 -7.014 -4.173 -1.437 1.00 1.00 O ATOM 1089 CB MET A 74 -5.347 -6.088 -3.515 1.00 1.00 C ATOM 1090 CG MET A 74 -6.000 -7.407 -3.931 1.00 1.00 C ATOM 1091 SD MET A 74 -7.760 -7.183 -4.123 1.00 1.00 S ATOM 1092 CE MET A 74 -7.775 -5.826 -5.282 1.00 1.00 C ATOM 0 H MET A 74 -4.827 -7.893 -1.944 1.00 1.00 H new ATOM 0 HA MET A 74 -4.694 -5.149 -1.682 1.00 1.00 H new ATOM 0 HB2 MET A 74 -5.839 -5.259 -4.023 1.00 1.00 H new ATOM 0 HB3 MET A 74 -4.303 -6.080 -3.830 1.00 1.00 H new ATOM 0 HG2 MET A 74 -5.566 -7.758 -4.867 1.00 1.00 H new ATOM 0 HG3 MET A 74 -5.802 -8.173 -3.181 1.00 1.00 H new ATOM 0 HE1 MET A 74 -8.779 -5.406 -5.337 1.00 1.00 H new ATOM 0 HE2 MET A 74 -7.077 -5.057 -4.951 1.00 1.00 H new ATOM 0 HE3 MET A 74 -7.478 -6.186 -6.267 1.00 1.00 H new ATOM 1102 N ALA A 75 -7.759 -6.306 -1.541 1.00 1.00 N ATOM 1103 CA ALA A 75 -9.128 -5.963 -1.197 1.00 1.00 C ATOM 1104 C ALA A 75 -9.122 -4.935 -0.064 1.00 1.00 C ATOM 1105 O ALA A 75 -9.542 -3.794 -0.253 1.00 1.00 O ATOM 1106 CB ALA A 75 -9.896 -7.233 -0.827 1.00 1.00 C ATOM 0 H ALA A 75 -7.596 -7.300 -1.701 1.00 1.00 H new ATOM 0 HA ALA A 75 -9.636 -5.512 -2.050 1.00 1.00 H new ATOM 0 HB1 ALA A 75 -10.923 -6.975 -0.569 1.00 1.00 H new ATOM 0 HB2 ALA A 75 -9.896 -7.918 -1.675 1.00 1.00 H new ATOM 0 HB3 ALA A 75 -9.417 -7.712 0.027 1.00 1.00 H new ATOM 1112 N ALA A 76 -8.640 -5.375 1.089 1.00 1.00 N ATOM 1113 CA ALA A 76 -8.573 -4.507 2.253 1.00 1.00 C ATOM 1114 C ALA A 76 -7.917 -3.182 1.859 1.00 1.00 C ATOM 1115 O ALA A 76 -8.522 -2.120 1.999 1.00 1.00 O ATOM 1116 CB ALA A 76 -7.819 -5.219 3.378 1.00 1.00 C ATOM 0 H ALA A 76 -8.292 -6.321 1.242 1.00 1.00 H new ATOM 0 HA ALA A 76 -9.574 -4.282 2.622 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -7.769 -4.568 4.251 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -8.341 -6.139 3.641 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -6.809 -5.458 3.045 1.00 1.00 H new ATOM 1122 N ILE A 77 -6.689 -3.288 1.373 1.00 1.00 N ATOM 1123 CA ILE A 77 -5.945 -2.111 0.957 1.00 1.00 C ATOM 1124 C ILE A 77 -6.851 -1.211 0.116 1.00 1.00 C ATOM 1125 O ILE A 77 -7.046 -0.041 0.442 1.00 1.00 O ATOM 1126 CB ILE A 77 -4.652 -2.518 0.248 1.00 1.00 C ATOM 1127 CG1 ILE A 77 -3.453 -2.420 1.193 1.00 1.00 C ATOM 1128 CG2 ILE A 77 -4.445 -1.698 -1.027 1.00 1.00 C ATOM 1129 CD1 ILE A 77 -3.464 -1.094 1.957 1.00 1.00 C ATOM 0 H ILE A 77 -6.191 -4.171 1.258 1.00 1.00 H new ATOM 0 HA ILE A 77 -5.636 -1.529 1.825 1.00 1.00 H new ATOM 0 HB ILE A 77 -4.741 -3.562 -0.051 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -3.473 -3.251 1.899 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -2.528 -2.508 0.623 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -3.519 -2.007 -1.512 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -5.282 -1.863 -1.705 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -4.386 -0.640 -0.773 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -2.601 -1.050 2.622 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -3.420 -0.266 1.249 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -4.379 -1.020 2.545 1.00 1.00 H new ATOM 1141 N VAL A 78 -7.381 -1.790 -0.951 1.00 1.00 N ATOM 1142 CA VAL A 78 -8.262 -1.055 -1.842 1.00 1.00 C ATOM 1143 C VAL A 78 -9.346 -0.356 -1.019 1.00 1.00 C ATOM 1144 O VAL A 78 -9.450 0.869 -1.036 1.00 1.00 O ATOM 1145 CB VAL A 78 -8.833 -1.994 -2.907 1.00 1.00 C ATOM 1146 CG1 VAL A 78 -9.471 -1.203 -4.051 1.00 1.00 C ATOM 1147 CG2 VAL A 78 -7.756 -2.945 -3.433 1.00 1.00 C ATOM 0 H VAL A 78 -7.217 -2.760 -1.219 1.00 1.00 H new ATOM 0 HA VAL A 78 -7.707 -0.282 -2.373 1.00 1.00 H new ATOM 0 HB VAL A 78 -9.613 -2.595 -2.440 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -9.869 -1.894 -4.794 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -10.280 -0.586 -3.660 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -8.719 -0.565 -4.515 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -8.188 -3.602 -4.188 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -6.945 -2.367 -3.875 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -7.367 -3.545 -2.610 1.00 1.00 H new ATOM 1157 N GLU A 79 -10.125 -1.166 -0.317 1.00 1.00 N ATOM 1158 CA GLU A 79 -11.197 -0.641 0.512 1.00 1.00 C ATOM 1159 C GLU A 79 -10.655 0.424 1.468 1.00 1.00 C ATOM 1160 O GLU A 79 -11.281 1.465 1.662 1.00 1.00 O ATOM 1161 CB GLU A 79 -11.895 -1.764 1.281 1.00 1.00 C ATOM 1162 CG GLU A 79 -13.276 -2.056 0.690 1.00 1.00 C ATOM 1163 CD GLU A 79 -14.383 -1.730 1.696 1.00 1.00 C ATOM 1164 OE1 GLU A 79 -14.169 -0.789 2.489 1.00 1.00 O ATOM 1165 OE2 GLU A 79 -15.417 -2.430 1.647 1.00 1.00 O ATOM 0 H GLU A 79 -10.035 -2.182 -0.305 1.00 1.00 H new ATOM 0 HA GLU A 79 -11.938 -0.175 -0.138 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -11.284 -2.666 1.249 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -11.996 -1.484 2.330 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -13.419 -1.468 -0.217 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -13.338 -3.106 0.403 1.00 1.00 H new ATOM 1172 N THR A 80 -9.498 0.127 2.040 1.00 1.00 N ATOM 1173 CA THR A 80 -8.866 1.046 2.971 1.00 1.00 C ATOM 1174 C THR A 80 -8.442 2.327 2.251 1.00 1.00 C ATOM 1175 O THR A 80 -8.769 3.428 2.691 1.00 1.00 O ATOM 1176 CB THR A 80 -7.702 0.313 3.642 1.00 1.00 C ATOM 1177 OG1 THR A 80 -7.980 0.421 5.035 1.00 1.00 O ATOM 1178 CG2 THR A 80 -6.371 1.047 3.470 1.00 1.00 C ATOM 0 H THR A 80 -8.981 -0.737 1.877 1.00 1.00 H new ATOM 0 HA THR A 80 -9.562 1.362 3.748 1.00 1.00 H new ATOM 0 HB THR A 80 -7.619 -0.692 3.227 1.00 1.00 H new ATOM 0 HG1 THR A 80 -7.275 -0.029 5.545 1.00 1.00 H new ATOM 0 HG21 THR A 80 -5.579 0.485 3.965 1.00 1.00 H new ATOM 0 HG22 THR A 80 -6.141 1.140 2.409 1.00 1.00 H new ATOM 0 HG23 THR A 80 -6.443 2.040 3.914 1.00 1.00 H new ATOM 1186 N LEU A 81 -7.720 2.142 1.155 1.00 1.00 N ATOM 1187 CA LEU A 81 -7.249 3.269 0.370 1.00 1.00 C ATOM 1188 C LEU A 81 -8.378 4.291 0.222 1.00 1.00 C ATOM 1189 O LEU A 81 -8.152 5.494 0.344 1.00 1.00 O ATOM 1190 CB LEU A 81 -6.675 2.790 -0.965 1.00 1.00 C ATOM 1191 CG LEU A 81 -5.216 2.331 -0.942 1.00 1.00 C ATOM 1192 CD1 LEU A 81 -4.286 3.436 -1.445 1.00 1.00 C ATOM 1193 CD2 LEU A 81 -4.819 1.836 0.450 1.00 1.00 C ATOM 0 H LEU A 81 -7.450 1.228 0.793 1.00 1.00 H new ATOM 0 HA LEU A 81 -6.429 3.772 0.882 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -7.289 1.965 -1.327 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -6.769 3.599 -1.689 1.00 1.00 H new ATOM 0 HG LEU A 81 -5.112 1.488 -1.625 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -3.255 3.084 -1.418 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -4.553 3.699 -2.468 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -4.386 4.314 -0.807 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -3.777 1.516 0.439 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -4.943 2.643 1.172 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -5.454 0.996 0.732 1.00 1.00 H new ATOM 1205 N GLN A 82 -9.571 3.774 -0.037 1.00 1.00 N ATOM 1206 CA GLN A 82 -10.736 4.626 -0.202 1.00 1.00 C ATOM 1207 C GLN A 82 -11.503 4.737 1.117 1.00 1.00 C ATOM 1208 O GLN A 82 -12.327 5.635 1.286 1.00 1.00 O ATOM 1209 CB GLN A 82 -11.641 4.106 -1.321 1.00 1.00 C ATOM 1210 CG GLN A 82 -10.822 3.407 -2.409 1.00 1.00 C ATOM 1211 CD GLN A 82 -11.506 2.117 -2.866 1.00 1.00 C ATOM 1212 OE1 GLN A 82 -11.680 1.861 -4.046 1.00 1.00 O ATOM 1213 NE2 GLN A 82 -11.883 1.322 -1.868 1.00 1.00 N ATOM 0 H GLN A 82 -9.755 2.776 -0.137 1.00 1.00 H new ATOM 0 HA GLN A 82 -10.397 5.622 -0.487 1.00 1.00 H new ATOM 0 HB2 GLN A 82 -12.372 3.411 -0.909 1.00 1.00 H new ATOM 0 HB3 GLN A 82 -12.199 4.935 -1.757 1.00 1.00 H new ATOM 0 HG2 GLN A 82 -10.694 4.076 -3.260 1.00 1.00 H new ATOM 0 HG3 GLN A 82 -9.826 3.180 -2.030 1.00 1.00 H new ATOM 0 HE21 GLN A 82 -11.706 1.597 -0.902 1.00 1.00 H new ATOM 0 HE22 GLN A 82 -12.349 0.437 -2.069 1.00 1.00 H new ATOM 1222 N LYS A 83 -11.206 3.811 2.017 1.00 1.00 N ATOM 1223 CA LYS A 83 -11.858 3.794 3.316 1.00 1.00 C ATOM 1224 C LYS A 83 -11.185 4.817 4.233 1.00 1.00 C ATOM 1225 O LYS A 83 -11.859 5.520 4.984 1.00 1.00 O ATOM 1226 CB LYS A 83 -11.877 2.375 3.887 1.00 1.00 C ATOM 1227 CG LYS A 83 -11.220 2.331 5.268 1.00 1.00 C ATOM 1228 CD LYS A 83 -11.348 0.939 5.892 1.00 1.00 C ATOM 1229 CE LYS A 83 -11.479 -0.136 4.811 1.00 1.00 C ATOM 1230 NZ LYS A 83 -11.764 -1.453 5.423 1.00 1.00 N ATOM 0 H LYS A 83 -10.523 3.067 1.873 1.00 1.00 H new ATOM 0 HA LYS A 83 -12.903 4.089 3.222 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -12.906 2.022 3.958 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -11.354 1.700 3.210 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -10.167 2.600 5.183 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -11.686 3.070 5.920 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -10.475 0.733 6.511 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -12.218 0.909 6.547 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -12.278 0.131 4.119 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -10.559 -0.190 4.230 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -11.850 -2.172 4.676 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -10.988 -1.712 6.065 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -12.654 -1.402 5.958 1.00 1.00 H new ATOM 1244 N GLU A 84 -9.864 4.868 4.141 1.00 1.00 N ATOM 1245 CA GLU A 84 -9.092 5.793 4.954 1.00 1.00 C ATOM 1246 C GLU A 84 -8.929 7.129 4.226 1.00 1.00 C ATOM 1247 O GLU A 84 -8.186 7.999 4.678 1.00 1.00 O ATOM 1248 CB GLU A 84 -7.731 5.198 5.319 1.00 1.00 C ATOM 1249 CG GLU A 84 -7.846 3.699 5.603 1.00 1.00 C ATOM 1250 CD GLU A 84 -8.633 3.444 6.891 1.00 1.00 C ATOM 1251 OE1 GLU A 84 -9.022 4.448 7.526 1.00 1.00 O ATOM 1252 OE2 GLU A 84 -8.826 2.251 7.211 1.00 1.00 O ATOM 0 H GLU A 84 -9.309 4.284 3.516 1.00 1.00 H new ATOM 0 HA GLU A 84 -9.634 5.971 5.883 1.00 1.00 H new ATOM 0 HB2 GLU A 84 -7.027 5.364 4.504 1.00 1.00 H new ATOM 0 HB3 GLU A 84 -7.330 5.708 6.195 1.00 1.00 H new ATOM 0 HG2 GLU A 84 -8.339 3.204 4.767 1.00 1.00 H new ATOM 0 HG3 GLU A 84 -6.850 3.264 5.689 1.00 1.00 H new ATOM 1259 N GLY A 85 -9.636 7.250 3.112 1.00 1.00 N ATOM 1260 CA GLY A 85 -9.579 8.465 2.318 1.00 1.00 C ATOM 1261 C GLY A 85 -8.134 8.815 1.954 1.00 1.00 C ATOM 1262 O GLY A 85 -7.856 9.923 1.498 1.00 1.00 O ATOM 0 H GLY A 85 -10.251 6.526 2.741 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -10.166 8.337 1.409 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -10.027 9.288 2.874 1.00 1.00 H new ATOM 1266 N LEU A 86 -7.253 7.849 2.168 1.00 1.00 N ATOM 1267 CA LEU A 86 -5.845 8.041 1.868 1.00 1.00 C ATOM 1268 C LEU A 86 -5.604 7.776 0.381 1.00 1.00 C ATOM 1269 O LEU A 86 -4.504 8.001 -0.123 1.00 1.00 O ATOM 1270 CB LEU A 86 -4.978 7.184 2.794 1.00 1.00 C ATOM 1271 CG LEU A 86 -3.469 7.256 2.556 1.00 1.00 C ATOM 1272 CD1 LEU A 86 -2.717 7.471 3.872 1.00 1.00 C ATOM 1273 CD2 LEU A 86 -2.971 6.019 1.807 1.00 1.00 C ATOM 0 H LEU A 86 -7.487 6.931 2.546 1.00 1.00 H new ATOM 0 HA LEU A 86 -5.552 9.073 2.060 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -5.178 7.481 3.824 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -5.292 6.145 2.695 1.00 1.00 H new ATOM 0 HG LEU A 86 -3.264 8.119 1.922 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -1.646 7.519 3.675 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -3.044 8.405 4.329 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -2.925 6.643 4.549 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -1.895 6.097 1.651 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -3.189 5.126 2.393 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -3.473 5.951 0.842 1.00 1.00 H new ATOM 1285 N ALA A 87 -6.649 7.302 -0.280 1.00 1.00 N ATOM 1286 CA ALA A 87 -6.565 7.004 -1.700 1.00 1.00 C ATOM 1287 C ALA A 87 -7.977 6.933 -2.286 1.00 1.00 C ATOM 1288 O ALA A 87 -8.944 6.715 -1.559 1.00 1.00 O ATOM 1289 CB ALA A 87 -5.782 5.706 -1.904 1.00 1.00 C ATOM 0 H ALA A 87 -7.559 7.117 0.141 1.00 1.00 H new ATOM 0 HA ALA A 87 -6.029 7.793 -2.227 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -5.719 5.483 -2.969 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -4.777 5.819 -1.497 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -6.291 4.890 -1.392 1.00 1.00 H new ATOM 1295 N GLU A 88 -8.049 7.120 -3.596 1.00 1.00 N ATOM 1296 CA GLU A 88 -9.326 7.079 -4.288 1.00 1.00 C ATOM 1297 C GLU A 88 -9.627 5.656 -4.762 1.00 1.00 C ATOM 1298 O GLU A 88 -8.883 4.726 -4.458 1.00 1.00 O ATOM 1299 CB GLU A 88 -9.347 8.064 -5.459 1.00 1.00 C ATOM 1300 CG GLU A 88 -8.061 7.963 -6.283 1.00 1.00 C ATOM 1301 CD GLU A 88 -8.358 8.087 -7.779 1.00 1.00 C ATOM 1302 OE1 GLU A 88 -9.281 7.378 -8.235 1.00 1.00 O ATOM 1303 OE2 GLU A 88 -7.654 8.886 -8.432 1.00 1.00 O ATOM 0 H GLU A 88 -7.244 7.300 -4.196 1.00 1.00 H new ATOM 0 HA GLU A 88 -10.106 7.381 -3.589 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -10.208 7.860 -6.095 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -9.463 9.080 -5.082 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -7.368 8.748 -5.980 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -7.571 7.010 -6.084 1.00 1.00 H new