USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 664 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 73 TYR OH : rot 89:sc= 1.92 USER MOD Set 1.2: A 77 LYS NZ :NH3+ 150:sc= 1.28 (180deg=1.08) USER MOD Set 2.1: A 54 ASN : amide:sc= 1.53 K(o=1.7,f=-2.7!) USER MOD Set 2.2: A 56 THR OG1 : rot -41:sc= 0.132 USER MOD Set 3.1: A 51 SER OG : rot -76:sc= 0.867 USER MOD Set 3.2: A 57 TYR OH : rot 30:sc= 0.767 USER MOD Set 4.1: A 45 SER OG : rot -110:sc= 0.00306 USER MOD Set 4.2: A 47 SER OG : rot 180:sc= 0.00243 USER MOD Set 5.1: A 35 GLN :FLIP amide:sc= 0 F(o=-2,f=-0.43) USER MOD Set 5.2: A 46 GLN :FLIP amide:sc= -0.428 F(o=-1.3,f=-0.43) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.169) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.404 X(o=-0.4,f=-0.089) USER MOD Single : A 6 HIS : no HE2:sc= 0.139 K(o=0.14,f=-2.3!) USER MOD Single : A 7 HIS : no HD1:sc= -0.294 X(o=-0.29,f=-0.0087) USER MOD Single : A 8 HIS : no HD1:sc= -0.0392 X(o=-0.039,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HE2:sc= -0.0599 K(o=-0.06,f=-3.3!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot -100:sc= -0.0512 USER MOD Single : A 19 HIS : no HD1:sc= 0.33 K(o=0.33,f=-2!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 164:sc= 0.897 USER MOD Single : A 24 ASN : amide:sc= 0.557 K(o=0.56,f=-7.1!) USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= 0.297 (180deg=-0.85!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -161:sc= -0.127 (180deg=-0.605) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 170:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 149:sc= -2.59! (180deg=-4.64!) USER MOD Single : A 42 CYS SG : rot 180:sc= -1.16 USER MOD Single : A 48 MET CE :methyl -114:sc= -0.507 (180deg=-4.21!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 73:sc= 0.962 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.064) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 154:sc= -0.546 (180deg=-1.7!) USER MOD Single : A 66 CYS SG : rot -109:sc= -2.68 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 74 LYS NZ :NH3+ -163:sc= 1.13 (180deg=0.872) USER MOD Single : A 75 HIS : no HD1:sc= -0.207 X(o=-0.21,f=0.026) USER MOD Single : A 78 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0393) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 168:sc= -0.0412 (180deg=-0.237) USER MOD Single : A 82 MET CE :methyl 160:sc= -0.126 (180deg=-0.618) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.068 -12.503 9.062 1.00 4.40 N ATOM 2 CA MET A 1 12.061 -12.036 8.069 1.00 31.34 C ATOM 3 C MET A 1 12.664 -11.001 7.109 1.00 2.13 C ATOM 4 O MET A 1 13.067 -9.920 7.530 1.00 54.52 O ATOM 5 CB MET A 1 10.848 -11.427 8.787 1.00 20.14 C ATOM 6 CG MET A 1 10.141 -12.385 9.734 1.00 32.30 C ATOM 7 SD MET A 1 8.678 -11.649 10.490 1.00 35.34 S ATOM 8 CE MET A 1 8.117 -12.993 11.536 1.00 2.43 C ATOM 0 H1 MET A 1 12.688 -13.318 9.585 1.00 4.40 H new ATOM 0 H2 MET A 1 13.939 -12.785 8.567 1.00 4.40 H new ATOM 0 H3 MET A 1 13.282 -11.733 9.728 1.00 4.40 H new ATOM 0 HA MET A 1 11.742 -12.901 7.488 1.00 31.34 H new ATOM 0 HB2 MET A 1 11.174 -10.552 9.349 1.00 20.14 H new ATOM 0 HB3 MET A 1 10.134 -11.079 8.040 1.00 20.14 H new ATOM 0 HG2 MET A 1 9.852 -13.283 9.189 1.00 32.30 H new ATOM 0 HG3 MET A 1 10.834 -12.696 10.516 1.00 32.30 H new ATOM 0 HE1 MET A 1 7.217 -12.687 12.070 1.00 2.43 H new ATOM 0 HE2 MET A 1 7.896 -13.865 10.921 1.00 2.43 H new ATOM 0 HE3 MET A 1 8.897 -13.245 12.255 1.00 2.43 H new ATOM 20 N GLY A 2 12.724 -11.336 5.821 1.00 4.12 N ATOM 21 CA GLY A 2 13.263 -10.413 4.825 1.00 70.32 C ATOM 22 C GLY A 2 14.773 -10.190 4.944 1.00 15.44 C ATOM 23 O GLY A 2 15.455 -10.844 5.738 1.00 63.02 O ATOM 0 H GLY A 2 12.409 -12.231 5.446 1.00 4.12 H new ATOM 0 HA2 GLY A 2 13.039 -10.796 3.829 1.00 70.32 H new ATOM 0 HA3 GLY A 2 12.755 -9.453 4.919 1.00 70.32 H new ATOM 27 N HIS A 3 15.300 -9.264 4.145 1.00 1.43 N ATOM 28 CA HIS A 3 16.737 -8.945 4.151 1.00 22.44 C ATOM 29 C HIS A 3 16.965 -7.425 4.217 1.00 62.51 C ATOM 30 O HIS A 3 16.049 -6.644 3.954 1.00 33.11 O ATOM 31 CB HIS A 3 17.405 -9.539 2.901 1.00 24.50 C ATOM 32 CG HIS A 3 17.241 -11.026 2.803 1.00 14.20 C ATOM 33 ND1 HIS A 3 16.126 -11.617 2.253 1.00 12.21 N ATOM 34 CD2 HIS A 3 18.041 -12.044 3.207 1.00 22.22 C ATOM 35 CE1 HIS A 3 16.239 -12.926 2.329 1.00 51.13 C ATOM 36 NE2 HIS A 3 17.390 -13.216 2.899 1.00 31.30 N ATOM 0 H HIS A 3 14.755 -8.716 3.480 1.00 1.43 H new ATOM 0 HA HIS A 3 17.188 -9.386 5.040 1.00 22.44 H new ATOM 0 HB2 HIS A 3 16.981 -9.072 2.012 1.00 24.50 H new ATOM 0 HB3 HIS A 3 18.467 -9.296 2.913 1.00 24.50 H new ATOM 0 HD2 HIS A 3 19.007 -11.952 3.681 1.00 22.22 H new ATOM 0 HE1 HIS A 3 15.509 -13.643 1.982 1.00 51.13 H new ATOM 0 HE2 HIS A 3 17.741 -14.156 3.082 1.00 31.30 H new ATOM 45 N HIS A 4 18.187 -7.018 4.582 1.00 12.32 N ATOM 46 CA HIS A 4 18.552 -5.595 4.763 1.00 31.24 C ATOM 47 C HIS A 4 17.946 -5.000 6.054 1.00 33.32 C ATOM 48 O HIS A 4 18.599 -4.215 6.746 1.00 72.41 O ATOM 49 CB HIS A 4 18.161 -4.742 3.543 1.00 71.22 C ATOM 50 CG HIS A 4 18.927 -5.078 2.299 1.00 71.33 C ATOM 51 ND1 HIS A 4 18.380 -5.769 1.241 1.00 12.45 N ATOM 52 CD2 HIS A 4 20.205 -4.801 1.942 1.00 23.00 C ATOM 53 CE1 HIS A 4 19.282 -5.903 0.289 1.00 1.34 C ATOM 54 NE2 HIS A 4 20.395 -5.325 0.687 1.00 60.03 N ATOM 0 H HIS A 4 18.957 -7.662 4.762 1.00 12.32 H new ATOM 0 HA HIS A 4 19.637 -5.568 4.860 1.00 31.24 H new ATOM 0 HB2 HIS A 4 17.096 -4.870 3.348 1.00 71.22 H new ATOM 0 HB3 HIS A 4 18.317 -3.690 3.782 1.00 71.22 H new ATOM 0 HD2 HIS A 4 20.936 -4.269 2.533 1.00 23.00 H new ATOM 0 HE1 HIS A 4 19.133 -6.402 -0.657 1.00 1.34 H new ATOM 0 HE2 HIS A 4 21.260 -5.274 0.149 1.00 60.03 H new ATOM 63 N HIS A 5 16.695 -5.362 6.359 1.00 5.23 N ATOM 64 CA HIS A 5 16.019 -4.951 7.604 1.00 44.45 C ATOM 65 C HIS A 5 15.723 -3.433 7.625 1.00 71.32 C ATOM 66 O HIS A 5 15.427 -2.858 8.674 1.00 4.44 O ATOM 67 CB HIS A 5 16.862 -5.368 8.829 1.00 20.41 C ATOM 68 CG HIS A 5 16.097 -5.400 10.120 1.00 73.23 C ATOM 69 ND1 HIS A 5 15.417 -6.513 10.557 1.00 23.40 N ATOM 70 CD2 HIS A 5 15.906 -4.453 11.071 1.00 14.41 C ATOM 71 CE1 HIS A 5 14.844 -6.255 11.713 1.00 63.33 C ATOM 72 NE2 HIS A 5 15.123 -5.011 12.048 1.00 20.25 N ATOM 0 H HIS A 5 16.120 -5.947 5.754 1.00 5.23 H new ATOM 0 HA HIS A 5 15.058 -5.463 7.648 1.00 44.45 H new ATOM 0 HB2 HIS A 5 17.285 -6.356 8.646 1.00 20.41 H new ATOM 0 HB3 HIS A 5 17.699 -4.677 8.932 1.00 20.41 H new ATOM 0 HD2 HIS A 5 16.298 -3.447 11.061 1.00 14.41 H new ATOM 0 HE1 HIS A 5 14.246 -6.945 12.290 1.00 63.33 H new ATOM 0 HE2 HIS A 5 14.808 -4.540 12.896 1.00 20.25 H new ATOM 81 N HIS A 6 15.790 -2.794 6.457 1.00 55.50 N ATOM 82 CA HIS A 6 15.501 -1.355 6.333 1.00 20.45 C ATOM 83 C HIS A 6 14.673 -1.062 5.075 1.00 64.41 C ATOM 84 O HIS A 6 14.614 -1.878 4.157 1.00 35.02 O ATOM 85 CB HIS A 6 16.806 -0.546 6.289 1.00 2.24 C ATOM 86 CG HIS A 6 17.675 -0.729 7.496 1.00 33.15 C ATOM 87 ND1 HIS A 6 18.718 -1.623 7.535 1.00 44.11 N ATOM 88 CD2 HIS A 6 17.662 -0.122 8.708 1.00 71.04 C ATOM 89 CE1 HIS A 6 19.306 -1.564 8.708 1.00 42.44 C ATOM 90 NE2 HIS A 6 18.688 -0.662 9.439 1.00 73.25 N ATOM 0 H HIS A 6 16.042 -3.247 5.578 1.00 55.50 H new ATOM 0 HA HIS A 6 14.922 -1.058 7.208 1.00 20.45 H new ATOM 0 HB2 HIS A 6 17.370 -0.832 5.401 1.00 2.24 H new ATOM 0 HB3 HIS A 6 16.563 0.512 6.185 1.00 2.24 H new ATOM 0 HD1 HIS A 6 18.993 -2.239 6.770 1.00 44.11 H new ATOM 0 HD2 HIS A 6 16.973 0.643 9.036 1.00 71.04 H new ATOM 0 HE1 HIS A 6 20.154 -2.156 9.020 1.00 42.44 H new ATOM 99 N HIS A 7 14.043 0.113 5.031 1.00 13.40 N ATOM 100 CA HIS A 7 13.221 0.507 3.878 1.00 45.42 C ATOM 101 C HIS A 7 14.049 1.293 2.842 1.00 44.21 C ATOM 102 O HIS A 7 14.181 0.870 1.691 1.00 42.42 O ATOM 103 CB HIS A 7 12.015 1.343 4.343 1.00 11.12 C ATOM 104 CG HIS A 7 11.095 0.614 5.283 1.00 45.41 C ATOM 105 ND1 HIS A 7 9.749 0.444 5.041 1.00 33.42 N ATOM 106 CD2 HIS A 7 11.332 0.020 6.479 1.00 24.40 C ATOM 107 CE1 HIS A 7 9.201 -0.220 6.038 1.00 23.24 C ATOM 108 NE2 HIS A 7 10.137 -0.492 6.921 1.00 11.33 N ATOM 0 H HIS A 7 14.084 0.809 5.776 1.00 13.40 H new ATOM 0 HA HIS A 7 12.859 -0.402 3.398 1.00 45.42 H new ATOM 0 HB2 HIS A 7 12.379 2.246 4.833 1.00 11.12 H new ATOM 0 HB3 HIS A 7 11.447 1.662 3.469 1.00 11.12 H new ATOM 0 HD2 HIS A 7 12.283 -0.039 6.988 1.00 24.40 H new ATOM 0 HE1 HIS A 7 8.159 -0.495 6.117 1.00 23.24 H new ATOM 0 HE2 HIS A 7 9.998 -1.001 7.794 1.00 11.33 H new ATOM 117 N HIS A 8 14.600 2.436 3.265 1.00 61.12 N ATOM 118 CA HIS A 8 15.430 3.295 2.399 1.00 72.14 C ATOM 119 C HIS A 8 14.671 3.787 1.148 1.00 62.54 C ATOM 120 O HIS A 8 13.460 3.591 1.019 1.00 54.20 O ATOM 121 CB HIS A 8 16.719 2.561 1.989 1.00 63.00 C ATOM 122 CG HIS A 8 17.620 2.237 3.144 1.00 33.24 C ATOM 123 ND1 HIS A 8 18.406 1.105 3.192 1.00 0.51 N ATOM 124 CD2 HIS A 8 17.876 2.912 4.293 1.00 25.11 C ATOM 125 CE1 HIS A 8 19.102 1.097 4.312 1.00 4.05 C ATOM 126 NE2 HIS A 8 18.799 2.178 4.995 1.00 74.30 N ATOM 0 H HIS A 8 14.487 2.795 4.213 1.00 61.12 H new ATOM 0 HA HIS A 8 15.688 4.178 2.983 1.00 72.14 H new ATOM 0 HB2 HIS A 8 16.453 1.637 1.476 1.00 63.00 H new ATOM 0 HB3 HIS A 8 17.266 3.176 1.274 1.00 63.00 H new ATOM 0 HD2 HIS A 8 17.436 3.850 4.598 1.00 25.11 H new ATOM 0 HE1 HIS A 8 19.802 0.333 4.616 1.00 4.05 H new ATOM 0 HE2 HIS A 8 19.188 2.431 5.903 1.00 74.30 H new ATOM 135 N SER A 9 15.390 4.433 0.230 1.00 0.10 N ATOM 136 CA SER A 9 14.777 5.000 -0.986 1.00 21.44 C ATOM 137 C SER A 9 14.465 3.918 -2.035 1.00 72.53 C ATOM 138 O SER A 9 14.962 3.957 -3.160 1.00 35.43 O ATOM 139 CB SER A 9 15.688 6.077 -1.600 1.00 51.21 C ATOM 140 OG SER A 9 15.893 7.157 -0.698 1.00 64.42 O ATOM 0 H SER A 9 16.397 4.580 0.299 1.00 0.10 H new ATOM 0 HA SER A 9 13.833 5.454 -0.685 1.00 21.44 H new ATOM 0 HB2 SER A 9 16.648 5.635 -1.866 1.00 51.21 H new ATOM 0 HB3 SER A 9 15.243 6.450 -2.522 1.00 51.21 H new ATOM 0 HG SER A 9 16.477 7.825 -1.115 1.00 64.42 H new ATOM 146 N HIS A 10 13.636 2.950 -1.651 1.00 71.11 N ATOM 147 CA HIS A 10 13.175 1.895 -2.566 1.00 24.44 C ATOM 148 C HIS A 10 11.649 1.723 -2.475 1.00 71.41 C ATOM 149 O HIS A 10 10.980 1.490 -3.478 1.00 62.02 O ATOM 150 CB HIS A 10 13.881 0.567 -2.255 1.00 30.40 C ATOM 151 CG HIS A 10 15.354 0.592 -2.540 1.00 24.10 C ATOM 152 ND1 HIS A 10 15.899 0.149 -3.725 1.00 35.15 N ATOM 153 CD2 HIS A 10 16.399 1.013 -1.786 1.00 3.42 C ATOM 154 CE1 HIS A 10 17.208 0.290 -3.689 1.00 73.42 C ATOM 155 NE2 HIS A 10 17.538 0.813 -2.527 1.00 54.02 N ATOM 0 H HIS A 10 13.264 2.870 -0.705 1.00 71.11 H new ATOM 0 HA HIS A 10 13.427 2.193 -3.584 1.00 24.44 H new ATOM 0 HB2 HIS A 10 13.726 0.319 -1.205 1.00 30.40 H new ATOM 0 HB3 HIS A 10 13.419 -0.227 -2.841 1.00 30.40 H new ATOM 0 HD1 HIS A 10 15.370 -0.230 -4.510 1.00 35.15 H new ATOM 0 HD2 HIS A 10 16.346 1.428 -0.790 1.00 3.42 H new ATOM 0 HE1 HIS A 10 17.894 0.022 -4.479 1.00 73.42 H new ATOM 164 N MET A 11 11.104 1.839 -1.261 1.00 42.41 N ATOM 165 CA MET A 11 9.647 1.764 -1.055 1.00 44.54 C ATOM 166 C MET A 11 8.999 3.160 -1.098 1.00 62.12 C ATOM 167 O MET A 11 7.778 3.288 -1.196 1.00 1.30 O ATOM 168 CB MET A 11 9.333 1.078 0.279 1.00 71.13 C ATOM 169 CG MET A 11 9.862 -0.347 0.365 1.00 60.51 C ATOM 170 SD MET A 11 9.178 -1.415 -0.919 1.00 4.32 S ATOM 171 CE MET A 11 10.060 -2.943 -0.608 1.00 5.43 C ATOM 0 H MET A 11 11.643 1.985 -0.407 1.00 42.41 H new ATOM 0 HA MET A 11 9.226 1.173 -1.869 1.00 44.54 H new ATOM 0 HB2 MET A 11 9.761 1.666 1.091 1.00 71.13 H new ATOM 0 HB3 MET A 11 8.253 1.067 0.428 1.00 71.13 H new ATOM 0 HG2 MET A 11 10.949 -0.334 0.282 1.00 60.51 H new ATOM 0 HG3 MET A 11 9.623 -0.762 1.344 1.00 60.51 H new ATOM 0 HE1 MET A 11 9.742 -3.699 -1.325 1.00 5.43 H new ATOM 0 HE2 MET A 11 11.132 -2.772 -0.712 1.00 5.43 H new ATOM 0 HE3 MET A 11 9.844 -3.288 0.403 1.00 5.43 H new ATOM 181 N LEU A 12 9.826 4.204 -1.008 1.00 22.20 N ATOM 182 CA LEU A 12 9.345 5.591 -1.111 1.00 75.53 C ATOM 183 C LEU A 12 9.107 5.983 -2.591 1.00 42.52 C ATOM 184 O LEU A 12 8.051 6.522 -2.929 1.00 11.53 O ATOM 185 CB LEU A 12 10.324 6.572 -0.431 1.00 13.15 C ATOM 186 CG LEU A 12 10.373 6.518 1.110 1.00 15.32 C ATOM 187 CD1 LEU A 12 10.779 5.135 1.615 1.00 55.51 C ATOM 188 CD2 LEU A 12 11.328 7.581 1.651 1.00 32.01 C ATOM 0 H LEU A 12 10.832 4.119 -0.864 1.00 22.20 H new ATOM 0 HA LEU A 12 8.392 5.655 -0.586 1.00 75.53 H new ATOM 0 HB2 LEU A 12 11.326 6.378 -0.814 1.00 13.15 H new ATOM 0 HB3 LEU A 12 10.059 7.586 -0.731 1.00 13.15 H new ATOM 0 HG LEU A 12 9.368 6.723 1.478 1.00 15.32 H new ATOM 0 HD11 LEU A 12 10.802 5.138 2.705 1.00 55.51 H new ATOM 0 HD12 LEU A 12 10.057 4.395 1.269 1.00 55.51 H new ATOM 0 HD13 LEU A 12 11.768 4.884 1.232 1.00 55.51 H new ATOM 0 HD21 LEU A 12 11.351 7.529 2.740 1.00 32.01 H new ATOM 0 HD22 LEU A 12 12.329 7.404 1.258 1.00 32.01 H new ATOM 0 HD23 LEU A 12 10.986 8.569 1.342 1.00 32.01 H new ATOM 200 N PRO A 13 10.088 5.739 -3.496 1.00 44.14 N ATOM 201 CA PRO A 13 9.876 5.845 -4.936 1.00 62.40 C ATOM 202 C PRO A 13 9.513 4.477 -5.558 1.00 31.44 C ATOM 203 O PRO A 13 10.241 3.501 -5.376 1.00 31.34 O ATOM 204 CB PRO A 13 11.238 6.340 -5.443 1.00 11.51 C ATOM 205 CG PRO A 13 12.246 5.892 -4.418 1.00 32.14 C ATOM 206 CD PRO A 13 11.484 5.379 -3.212 1.00 71.44 C ATOM 0 HA PRO A 13 9.049 6.504 -5.200 1.00 62.40 H new ATOM 0 HB2 PRO A 13 11.465 5.922 -6.424 1.00 11.51 H new ATOM 0 HB3 PRO A 13 11.245 7.425 -5.550 1.00 11.51 H new ATOM 0 HG2 PRO A 13 12.885 5.110 -4.827 1.00 32.14 H new ATOM 0 HG3 PRO A 13 12.897 6.719 -4.135 1.00 32.14 H new ATOM 0 HD2 PRO A 13 11.602 4.302 -3.093 1.00 71.44 H new ATOM 0 HD3 PRO A 13 11.836 5.842 -2.290 1.00 71.44 H new ATOM 214 N PRO A 14 8.387 4.397 -6.303 1.00 14.24 N ATOM 215 CA PRO A 14 7.856 3.125 -6.843 1.00 20.32 C ATOM 216 C PRO A 14 8.924 2.173 -7.422 1.00 11.14 C ATOM 217 O PRO A 14 9.534 2.456 -8.453 1.00 41.32 O ATOM 218 CB PRO A 14 6.902 3.601 -7.943 1.00 41.43 C ATOM 219 CG PRO A 14 6.394 4.912 -7.442 1.00 62.41 C ATOM 220 CD PRO A 14 7.539 5.546 -6.690 1.00 34.50 C ATOM 0 HA PRO A 14 7.394 2.528 -6.057 1.00 20.32 H new ATOM 0 HB2 PRO A 14 7.417 3.711 -8.897 1.00 41.43 H new ATOM 0 HB3 PRO A 14 6.089 2.892 -8.100 1.00 41.43 H new ATOM 0 HG2 PRO A 14 6.072 5.546 -8.268 1.00 62.41 H new ATOM 0 HG3 PRO A 14 5.531 4.772 -6.792 1.00 62.41 H new ATOM 0 HD2 PRO A 14 8.085 6.253 -7.314 1.00 34.50 H new ATOM 0 HD3 PRO A 14 7.188 6.096 -5.817 1.00 34.50 H new ATOM 228 N GLU A 15 9.147 1.048 -6.735 1.00 24.21 N ATOM 229 CA GLU A 15 10.086 0.016 -7.191 1.00 60.44 C ATOM 230 C GLU A 15 9.573 -1.399 -6.861 1.00 12.40 C ATOM 231 O GLU A 15 9.352 -1.734 -5.696 1.00 45.55 O ATOM 232 CB GLU A 15 11.464 0.217 -6.545 1.00 22.21 C ATOM 233 CG GLU A 15 12.467 -0.879 -6.904 1.00 34.12 C ATOM 234 CD GLU A 15 13.779 -0.756 -6.148 1.00 34.02 C ATOM 235 OE1 GLU A 15 13.895 -1.330 -5.047 1.00 42.13 O ATOM 236 OE2 GLU A 15 14.711 -0.098 -6.656 1.00 52.22 O ATOM 0 H GLU A 15 8.685 0.827 -5.853 1.00 24.21 H new ATOM 0 HA GLU A 15 10.172 0.113 -8.273 1.00 60.44 H new ATOM 0 HB2 GLU A 15 11.865 1.182 -6.854 1.00 22.21 H new ATOM 0 HB3 GLU A 15 11.348 0.253 -5.462 1.00 22.21 H new ATOM 0 HG2 GLU A 15 12.023 -1.852 -6.694 1.00 34.12 H new ATOM 0 HG3 GLU A 15 12.667 -0.844 -7.975 1.00 34.12 H new ATOM 243 N GLN A 16 9.376 -2.214 -7.900 1.00 34.31 N ATOM 244 CA GLN A 16 9.025 -3.636 -7.743 1.00 52.12 C ATOM 245 C GLN A 16 7.782 -3.837 -6.846 1.00 51.34 C ATOM 246 O GLN A 16 7.750 -4.712 -5.972 1.00 51.32 O ATOM 247 CB GLN A 16 10.239 -4.405 -7.188 1.00 44.33 C ATOM 248 CG GLN A 16 10.110 -5.925 -7.256 1.00 34.30 C ATOM 249 CD GLN A 16 11.338 -6.646 -6.719 1.00 35.52 C ATOM 250 OE1 GLN A 16 11.431 -6.942 -5.535 1.00 45.33 O ATOM 251 NE2 GLN A 16 12.290 -6.935 -7.585 1.00 3.43 N ATOM 0 H GLN A 16 9.454 -1.913 -8.871 1.00 34.31 H new ATOM 0 HA GLN A 16 8.763 -4.032 -8.724 1.00 52.12 H new ATOM 0 HB2 GLN A 16 11.128 -4.103 -7.741 1.00 44.33 H new ATOM 0 HB3 GLN A 16 10.395 -4.112 -6.150 1.00 44.33 H new ATOM 0 HG2 GLN A 16 9.234 -6.236 -6.687 1.00 34.30 H new ATOM 0 HG3 GLN A 16 9.942 -6.225 -8.290 1.00 34.30 H new ATOM 0 HE21 GLN A 16 12.183 -6.675 -8.566 1.00 3.43 H new ATOM 0 HE22 GLN A 16 13.133 -7.418 -7.274 1.00 3.43 H new ATOM 260 N TRP A 17 6.751 -3.032 -7.078 1.00 13.03 N ATOM 261 CA TRP A 17 5.494 -3.162 -6.337 1.00 72.10 C ATOM 262 C TRP A 17 4.682 -4.371 -6.823 1.00 20.33 C ATOM 263 O TRP A 17 4.016 -4.321 -7.857 1.00 34.42 O ATOM 264 CB TRP A 17 4.665 -1.874 -6.439 1.00 73.34 C ATOM 265 CG TRP A 17 5.191 -0.769 -5.570 1.00 32.32 C ATOM 266 CD1 TRP A 17 6.276 0.023 -5.808 1.00 3.32 C ATOM 267 CD2 TRP A 17 4.652 -0.340 -4.314 1.00 21.03 C ATOM 268 NE1 TRP A 17 6.447 0.913 -4.774 1.00 72.24 N ATOM 269 CE2 TRP A 17 5.463 0.710 -3.848 1.00 13.45 C ATOM 270 CE3 TRP A 17 3.561 -0.745 -3.539 1.00 74.44 C ATOM 271 CZ2 TRP A 17 5.220 1.363 -2.644 1.00 1.25 C ATOM 272 CZ3 TRP A 17 3.320 -0.097 -2.343 1.00 53.04 C ATOM 273 CH2 TRP A 17 4.146 0.946 -1.904 1.00 60.32 C ATOM 0 H TRP A 17 6.757 -2.283 -7.771 1.00 13.03 H new ATOM 0 HA TRP A 17 5.743 -3.327 -5.289 1.00 72.10 H new ATOM 0 HB2 TRP A 17 4.651 -1.538 -7.476 1.00 73.34 H new ATOM 0 HB3 TRP A 17 3.634 -2.089 -6.160 1.00 73.34 H new ATOM 0 HD1 TRP A 17 6.908 -0.040 -6.681 1.00 3.32 H new ATOM 0 HE1 TRP A 17 7.188 1.611 -4.709 1.00 72.24 H new ATOM 0 HE3 TRP A 17 2.919 -1.549 -3.869 1.00 74.44 H new ATOM 0 HZ2 TRP A 17 5.855 2.169 -2.306 1.00 1.25 H new ATOM 0 HZ3 TRP A 17 2.480 -0.400 -1.736 1.00 53.04 H new ATOM 0 HH2 TRP A 17 3.931 1.431 -0.963 1.00 60.32 H new ATOM 284 N SER A 18 4.780 -5.466 -6.075 1.00 51.42 N ATOM 285 CA SER A 18 4.016 -6.692 -6.357 1.00 42.50 C ATOM 286 C SER A 18 3.111 -7.048 -5.165 1.00 33.52 C ATOM 287 O SER A 18 3.053 -6.302 -4.183 1.00 61.24 O ATOM 288 CB SER A 18 4.975 -7.857 -6.659 1.00 42.35 C ATOM 289 OG SER A 18 4.273 -9.075 -6.865 1.00 40.12 O ATOM 0 H SER A 18 5.387 -5.536 -5.258 1.00 51.42 H new ATOM 0 HA SER A 18 3.388 -6.516 -7.230 1.00 42.50 H new ATOM 0 HB2 SER A 18 5.565 -7.623 -7.545 1.00 42.35 H new ATOM 0 HB3 SER A 18 5.675 -7.976 -5.832 1.00 42.35 H new ATOM 0 HG SER A 18 4.309 -9.616 -6.048 1.00 40.12 H new ATOM 295 N HIS A 19 2.421 -8.190 -5.248 1.00 11.01 N ATOM 296 CA HIS A 19 1.509 -8.649 -4.183 1.00 31.40 C ATOM 297 C HIS A 19 2.132 -8.496 -2.780 1.00 0.21 C ATOM 298 O HIS A 19 1.541 -7.882 -1.889 1.00 1.40 O ATOM 299 CB HIS A 19 1.118 -10.119 -4.413 1.00 53.24 C ATOM 300 CG HIS A 19 0.353 -10.363 -5.681 1.00 65.42 C ATOM 301 ND1 HIS A 19 0.929 -10.871 -6.824 1.00 20.11 N ATOM 302 CD2 HIS A 19 -0.961 -10.202 -5.970 1.00 1.40 C ATOM 303 CE1 HIS A 19 0.010 -11.009 -7.756 1.00 70.31 C ATOM 304 NE2 HIS A 19 -1.147 -10.613 -7.266 1.00 54.40 N ATOM 0 H HIS A 19 2.475 -8.822 -6.047 1.00 11.01 H new ATOM 0 HA HIS A 19 0.621 -8.018 -4.227 1.00 31.40 H new ATOM 0 HB2 HIS A 19 2.023 -10.726 -4.426 1.00 53.24 H new ATOM 0 HB3 HIS A 19 0.518 -10.460 -3.569 1.00 53.24 H new ATOM 0 HD2 HIS A 19 -1.721 -9.821 -5.304 1.00 1.40 H new ATOM 0 HE1 HIS A 19 0.176 -11.384 -8.755 1.00 70.31 H new ATOM 0 HE2 HIS A 19 -2.035 -10.612 -7.768 1.00 54.40 H new ATOM 313 N THR A 20 3.330 -9.052 -2.601 1.00 71.23 N ATOM 314 CA THR A 20 4.038 -8.986 -1.314 1.00 21.14 C ATOM 315 C THR A 20 4.335 -7.536 -0.896 1.00 45.44 C ATOM 316 O THR A 20 4.094 -7.150 0.252 1.00 51.30 O ATOM 317 CB THR A 20 5.365 -9.787 -1.356 1.00 32.12 C ATOM 318 OG1 THR A 20 5.096 -11.170 -1.643 1.00 31.41 O ATOM 319 CG2 THR A 20 6.121 -9.681 -0.034 1.00 1.15 C ATOM 0 H THR A 20 3.835 -9.555 -3.330 1.00 71.23 H new ATOM 0 HA THR A 20 3.373 -9.433 -0.575 1.00 21.14 H new ATOM 0 HB THR A 20 5.987 -9.360 -2.143 1.00 32.12 H new ATOM 0 HG1 THR A 20 5.939 -11.669 -1.669 1.00 31.41 H new ATOM 0 HG21 THR A 20 7.046 -10.254 -0.097 1.00 1.15 H new ATOM 0 HG22 THR A 20 6.354 -8.636 0.169 1.00 1.15 H new ATOM 0 HG23 THR A 20 5.503 -10.078 0.771 1.00 1.15 H new ATOM 327 N THR A 21 4.855 -6.735 -1.829 1.00 1.22 N ATOM 328 CA THR A 21 5.181 -5.327 -1.550 1.00 13.41 C ATOM 329 C THR A 21 3.953 -4.557 -1.049 1.00 5.31 C ATOM 330 O THR A 21 4.005 -3.891 -0.017 1.00 41.24 O ATOM 331 CB THR A 21 5.739 -4.595 -2.801 1.00 43.23 C ATOM 332 OG1 THR A 21 6.870 -5.302 -3.343 1.00 42.01 O ATOM 333 CG2 THR A 21 6.157 -3.167 -2.460 1.00 30.23 C ATOM 0 H THR A 21 5.060 -7.033 -2.783 1.00 1.22 H new ATOM 0 HA THR A 21 5.948 -5.346 -0.776 1.00 13.41 H new ATOM 0 HB THR A 21 4.942 -4.564 -3.544 1.00 43.23 H new ATOM 0 HG1 THR A 21 7.046 -4.988 -4.254 1.00 42.01 H new ATOM 0 HG21 THR A 21 6.544 -2.678 -3.354 1.00 30.23 H new ATOM 0 HG22 THR A 21 5.294 -2.614 -2.088 1.00 30.23 H new ATOM 0 HG23 THR A 21 6.932 -3.188 -1.694 1.00 30.23 H new ATOM 341 N VAL A 22 2.848 -4.663 -1.786 1.00 64.25 N ATOM 342 CA VAL A 22 1.599 -3.982 -1.425 1.00 5.51 C ATOM 343 C VAL A 22 1.149 -4.337 -0.002 1.00 34.24 C ATOM 344 O VAL A 22 0.905 -3.449 0.819 1.00 31.53 O ATOM 345 CB VAL A 22 0.465 -4.326 -2.424 1.00 4.42 C ATOM 346 CG1 VAL A 22 -0.870 -3.726 -1.976 1.00 41.04 C ATOM 347 CG2 VAL A 22 0.826 -3.846 -3.828 1.00 34.14 C ATOM 0 H VAL A 22 2.790 -5.216 -2.641 1.00 64.25 H new ATOM 0 HA VAL A 22 1.802 -2.912 -1.468 1.00 5.51 H new ATOM 0 HB VAL A 22 0.353 -5.410 -2.445 1.00 4.42 H new ATOM 0 HG11 VAL A 22 -1.645 -3.985 -2.697 1.00 41.04 H new ATOM 0 HG12 VAL A 22 -1.137 -4.124 -0.997 1.00 41.04 H new ATOM 0 HG13 VAL A 22 -0.779 -2.642 -1.914 1.00 41.04 H new ATOM 0 HG21 VAL A 22 0.019 -4.096 -4.517 1.00 34.14 H new ATOM 0 HG22 VAL A 22 0.972 -2.766 -3.817 1.00 34.14 H new ATOM 0 HG23 VAL A 22 1.745 -4.333 -4.154 1.00 34.14 H new ATOM 357 N ARG A 23 1.061 -5.635 0.291 1.00 2.25 N ATOM 358 CA ARG A 23 0.618 -6.101 1.612 1.00 44.11 C ATOM 359 C ARG A 23 1.518 -5.558 2.735 1.00 0.04 C ATOM 360 O ARG A 23 1.028 -5.165 3.790 1.00 65.12 O ATOM 361 CB ARG A 23 0.565 -7.643 1.650 1.00 61.44 C ATOM 362 CG ARG A 23 0.012 -8.227 2.961 1.00 4.00 C ATOM 363 CD ARG A 23 1.084 -8.365 4.046 1.00 24.21 C ATOM 364 NE ARG A 23 0.531 -8.238 5.393 1.00 62.13 N ATOM 365 CZ ARG A 23 1.250 -7.972 6.454 1.00 3.12 C ATOM 366 NH1 ARG A 23 2.537 -7.847 6.368 1.00 43.10 N ATOM 367 NH2 ARG A 23 0.680 -7.819 7.604 1.00 35.42 N ATOM 0 H ARG A 23 1.289 -6.383 -0.364 1.00 2.25 H new ATOM 0 HA ARG A 23 -0.386 -5.713 1.782 1.00 44.11 H new ATOM 0 HB2 ARG A 23 -0.051 -7.994 0.822 1.00 61.44 H new ATOM 0 HB3 ARG A 23 1.570 -8.033 1.488 1.00 61.44 H new ATOM 0 HG2 ARG A 23 -0.791 -7.588 3.329 1.00 4.00 H new ATOM 0 HG3 ARG A 23 -0.426 -9.205 2.762 1.00 4.00 H new ATOM 0 HD2 ARG A 23 1.575 -9.333 3.947 1.00 24.21 H new ATOM 0 HD3 ARG A 23 1.849 -7.603 3.897 1.00 24.21 H new ATOM 0 HE ARG A 23 -0.474 -8.364 5.513 1.00 62.13 H new ATOM 0 HH11 ARG A 23 3.001 -7.956 5.466 1.00 43.10 H new ATOM 0 HH12 ARG A 23 3.086 -7.640 7.202 1.00 43.10 H new ATOM 0 HH21 ARG A 23 -0.333 -7.905 7.687 1.00 35.42 H new ATOM 0 HH22 ARG A 23 1.243 -7.612 8.429 1.00 35.42 H new ATOM 381 N ASN A 24 2.830 -5.539 2.505 1.00 3.03 N ATOM 382 CA ASN A 24 3.784 -5.067 3.521 1.00 25.44 C ATOM 383 C ASN A 24 3.978 -3.541 3.470 1.00 44.43 C ATOM 384 O ASN A 24 4.830 -2.991 4.170 1.00 2.20 O ATOM 385 CB ASN A 24 5.134 -5.776 3.346 1.00 73.31 C ATOM 386 CG ASN A 24 5.026 -7.283 3.503 1.00 61.45 C ATOM 387 OD1 ASN A 24 4.161 -7.788 4.208 1.00 33.31 O ATOM 388 ND2 ASN A 24 5.910 -8.016 2.857 1.00 55.43 N ATOM 0 H ASN A 24 3.260 -5.842 1.631 1.00 3.03 H new ATOM 0 HA ASN A 24 3.367 -5.311 4.498 1.00 25.44 H new ATOM 0 HB2 ASN A 24 5.537 -5.545 2.360 1.00 73.31 H new ATOM 0 HB3 ASN A 24 5.842 -5.388 4.078 1.00 73.31 H new ATOM 0 HD21 ASN A 24 5.885 -9.033 2.937 1.00 55.43 H new ATOM 0 HD22 ASN A 24 6.619 -7.567 2.277 1.00 55.43 H new ATOM 395 N ALA A 25 3.181 -2.862 2.648 1.00 51.14 N ATOM 396 CA ALA A 25 3.260 -1.401 2.519 1.00 72.25 C ATOM 397 C ALA A 25 2.090 -0.690 3.222 1.00 43.43 C ATOM 398 O ALA A 25 2.290 0.053 4.187 1.00 55.23 O ATOM 399 CB ALA A 25 3.308 -1.008 1.046 1.00 54.43 C ATOM 0 H ALA A 25 2.471 -3.297 2.059 1.00 51.14 H new ATOM 0 HA ALA A 25 4.177 -1.079 3.012 1.00 72.25 H new ATOM 0 HB1 ALA A 25 3.366 0.077 0.961 1.00 54.43 H new ATOM 0 HB2 ALA A 25 4.184 -1.457 0.578 1.00 54.43 H new ATOM 0 HB3 ALA A 25 2.407 -1.363 0.545 1.00 54.43 H new ATOM 405 N LEU A 26 0.863 -0.928 2.748 1.00 62.31 N ATOM 406 CA LEU A 26 -0.316 -0.191 3.240 1.00 2.02 C ATOM 407 C LEU A 26 -0.508 -0.336 4.762 1.00 65.03 C ATOM 408 O LEU A 26 -1.054 0.552 5.415 1.00 43.15 O ATOM 409 CB LEU A 26 -1.598 -0.629 2.498 1.00 12.55 C ATOM 410 CG LEU A 26 -2.261 -1.943 2.968 1.00 53.21 C ATOM 411 CD1 LEU A 26 -3.554 -2.195 2.195 1.00 23.30 C ATOM 412 CD2 LEU A 26 -1.316 -3.131 2.821 1.00 61.20 C ATOM 0 H LEU A 26 0.656 -1.620 2.028 1.00 62.31 H new ATOM 0 HA LEU A 26 -0.130 0.862 3.031 1.00 2.02 H new ATOM 0 HB2 LEU A 26 -2.332 0.172 2.586 1.00 12.55 H new ATOM 0 HB3 LEU A 26 -1.360 -0.728 1.439 1.00 12.55 H new ATOM 0 HG LEU A 26 -2.497 -1.834 4.027 1.00 53.21 H new ATOM 0 HD11 LEU A 26 -4.008 -3.124 2.539 1.00 23.30 H new ATOM 0 HD12 LEU A 26 -4.245 -1.369 2.364 1.00 23.30 H new ATOM 0 HD13 LEU A 26 -3.333 -2.271 1.130 1.00 23.30 H new ATOM 0 HD21 LEU A 26 -1.816 -4.038 3.161 1.00 61.20 H new ATOM 0 HD22 LEU A 26 -1.033 -3.243 1.774 1.00 61.20 H new ATOM 0 HD23 LEU A 26 -0.423 -2.962 3.422 1.00 61.20 H new ATOM 424 N LYS A 27 -0.039 -1.450 5.325 1.00 31.54 N ATOM 425 CA LYS A 27 -0.179 -1.708 6.764 1.00 10.13 C ATOM 426 C LYS A 27 0.643 -0.727 7.626 1.00 24.25 C ATOM 427 O LYS A 27 0.359 -0.549 8.811 1.00 42.14 O ATOM 428 CB LYS A 27 0.172 -3.177 7.089 1.00 44.22 C ATOM 429 CG LYS A 27 1.411 -3.726 6.373 1.00 31.20 C ATOM 430 CD LYS A 27 2.718 -3.120 6.877 1.00 40.44 C ATOM 431 CE LYS A 27 2.986 -3.464 8.338 1.00 74.12 C ATOM 432 NZ LYS A 27 4.271 -2.889 8.808 1.00 23.42 N ATOM 0 H LYS A 27 0.441 -2.189 4.810 1.00 31.54 H new ATOM 0 HA LYS A 27 -1.224 -1.538 7.022 1.00 10.13 H new ATOM 0 HB2 LYS A 27 0.324 -3.268 8.165 1.00 44.22 H new ATOM 0 HB3 LYS A 27 -0.683 -3.803 6.833 1.00 44.22 H new ATOM 0 HG2 LYS A 27 1.447 -4.808 6.502 1.00 31.20 H new ATOM 0 HG3 LYS A 27 1.319 -3.535 5.304 1.00 31.20 H new ATOM 0 HD2 LYS A 27 3.544 -3.480 6.263 1.00 40.44 H new ATOM 0 HD3 LYS A 27 2.683 -2.037 6.761 1.00 40.44 H new ATOM 0 HE2 LYS A 27 2.171 -3.088 8.956 1.00 74.12 H new ATOM 0 HE3 LYS A 27 3.005 -4.547 8.460 1.00 74.12 H new ATOM 0 HZ1 LYS A 27 4.641 -3.461 9.594 1.00 23.42 H new ATOM 0 HZ2 LYS A 27 4.958 -2.889 8.027 1.00 23.42 H new ATOM 0 HZ3 LYS A 27 4.116 -1.913 9.133 1.00 23.42 H new ATOM 446 N ASP A 28 1.660 -0.095 7.036 1.00 61.24 N ATOM 447 CA ASP A 28 2.434 0.937 7.742 1.00 54.34 C ATOM 448 C ASP A 28 1.710 2.289 7.708 1.00 23.43 C ATOM 449 O ASP A 28 1.863 3.107 8.612 1.00 42.22 O ATOM 450 CB ASP A 28 3.845 1.075 7.155 1.00 22.14 C ATOM 451 CG ASP A 28 4.730 -0.097 7.530 1.00 74.15 C ATOM 452 OD1 ASP A 28 5.031 -0.256 8.733 1.00 22.11 O ATOM 453 OD2 ASP A 28 5.111 -0.878 6.644 1.00 71.25 O ATOM 0 H ASP A 28 1.967 -0.275 6.080 1.00 61.24 H new ATOM 0 HA ASP A 28 2.526 0.621 8.781 1.00 54.34 H new ATOM 0 HB2 ASP A 28 3.781 1.149 6.069 1.00 22.14 H new ATOM 0 HB3 ASP A 28 4.298 2.000 7.511 1.00 22.14 H new ATOM 458 N LEU A 29 0.923 2.519 6.662 1.00 63.21 N ATOM 459 CA LEU A 29 0.103 3.731 6.567 1.00 73.31 C ATOM 460 C LEU A 29 -1.156 3.592 7.434 1.00 0.02 C ATOM 461 O LEU A 29 -1.589 4.544 8.081 1.00 4.23 O ATOM 462 CB LEU A 29 -0.291 4.020 5.105 1.00 70.21 C ATOM 463 CG LEU A 29 0.861 4.430 4.161 1.00 44.15 C ATOM 464 CD1 LEU A 29 1.633 5.620 4.727 1.00 40.14 C ATOM 465 CD2 LEU A 29 1.798 3.254 3.882 1.00 25.41 C ATOM 0 H LEU A 29 0.833 1.886 5.867 1.00 63.21 H new ATOM 0 HA LEU A 29 0.696 4.569 6.933 1.00 73.31 H new ATOM 0 HB2 LEU A 29 -0.770 3.130 4.696 1.00 70.21 H new ATOM 0 HB3 LEU A 29 -1.037 4.814 5.101 1.00 70.21 H new ATOM 0 HG LEU A 29 0.419 4.733 3.212 1.00 44.15 H new ATOM 0 HD11 LEU A 29 2.439 5.889 4.044 1.00 40.14 H new ATOM 0 HD12 LEU A 29 0.959 6.468 4.845 1.00 40.14 H new ATOM 0 HD13 LEU A 29 2.053 5.353 5.697 1.00 40.14 H new ATOM 0 HD21 LEU A 29 2.597 3.576 3.215 1.00 25.41 H new ATOM 0 HD22 LEU A 29 2.228 2.901 4.819 1.00 25.41 H new ATOM 0 HD23 LEU A 29 1.237 2.446 3.413 1.00 25.41 H new ATOM 477 N LEU A 30 -1.710 2.381 7.473 1.00 12.13 N ATOM 478 CA LEU A 30 -2.942 2.092 8.225 1.00 64.14 C ATOM 479 C LEU A 30 -2.682 1.976 9.747 1.00 12.11 C ATOM 480 O LEU A 30 -3.445 1.341 10.475 1.00 20.32 O ATOM 481 CB LEU A 30 -3.571 0.793 7.688 1.00 41.43 C ATOM 482 CG LEU A 30 -5.003 0.493 8.170 1.00 72.30 C ATOM 483 CD1 LEU A 30 -5.962 1.592 7.720 1.00 73.50 C ATOM 484 CD2 LEU A 30 -5.465 -0.872 7.666 1.00 51.42 C ATOM 0 H LEU A 30 -1.323 1.571 6.988 1.00 12.13 H new ATOM 0 HA LEU A 30 -3.630 2.925 8.083 1.00 64.14 H new ATOM 0 HB2 LEU A 30 -3.576 0.837 6.599 1.00 41.43 H new ATOM 0 HB3 LEU A 30 -2.930 -0.042 7.970 1.00 41.43 H new ATOM 0 HG LEU A 30 -5.002 0.469 9.260 1.00 72.30 H new ATOM 0 HD11 LEU A 30 -6.968 1.362 8.070 1.00 73.50 H new ATOM 0 HD12 LEU A 30 -5.642 2.547 8.137 1.00 73.50 H new ATOM 0 HD13 LEU A 30 -5.961 1.652 6.632 1.00 73.50 H new ATOM 0 HD21 LEU A 30 -6.479 -1.065 8.017 1.00 51.42 H new ATOM 0 HD22 LEU A 30 -5.450 -0.881 6.576 1.00 51.42 H new ATOM 0 HD23 LEU A 30 -4.796 -1.645 8.045 1.00 51.42 H new ATOM 496 N LYS A 31 -1.607 2.595 10.228 1.00 30.55 N ATOM 497 CA LYS A 31 -1.301 2.605 11.665 1.00 33.44 C ATOM 498 C LYS A 31 -2.078 3.715 12.393 1.00 35.14 C ATOM 499 O LYS A 31 -2.522 3.534 13.529 1.00 64.31 O ATOM 500 CB LYS A 31 0.206 2.794 11.885 1.00 40.44 C ATOM 501 CG LYS A 31 1.056 1.612 11.422 1.00 71.41 C ATOM 502 CD LYS A 31 2.547 1.942 11.451 1.00 42.21 C ATOM 503 CE LYS A 31 3.031 2.310 12.850 1.00 31.41 C ATOM 504 NZ LYS A 31 4.443 2.773 12.843 1.00 72.21 N ATOM 0 H LYS A 31 -0.932 3.096 9.650 1.00 30.55 H new ATOM 0 HA LYS A 31 -1.609 1.645 12.079 1.00 33.44 H new ATOM 0 HB2 LYS A 31 0.530 3.690 11.356 1.00 40.44 H new ATOM 0 HB3 LYS A 31 0.389 2.966 12.946 1.00 40.44 H new ATOM 0 HG2 LYS A 31 0.861 0.751 12.062 1.00 71.41 H new ATOM 0 HG3 LYS A 31 0.766 1.329 10.410 1.00 71.41 H new ATOM 0 HD2 LYS A 31 3.114 1.085 11.087 1.00 42.21 H new ATOM 0 HD3 LYS A 31 2.747 2.769 10.770 1.00 42.21 H new ATOM 0 HE2 LYS A 31 2.394 3.093 13.260 1.00 31.41 H new ATOM 0 HE3 LYS A 31 2.936 1.445 13.507 1.00 31.41 H new ATOM 0 HZ1 LYS A 31 4.734 3.013 13.812 1.00 72.21 H new ATOM 0 HZ2 LYS A 31 5.055 2.016 12.475 1.00 72.21 H new ATOM 0 HZ3 LYS A 31 4.530 3.614 12.237 1.00 72.21 H new ATOM 518 N ASP A 32 -2.238 4.861 11.733 1.00 65.33 N ATOM 519 CA ASP A 32 -2.925 6.015 12.325 1.00 63.52 C ATOM 520 C ASP A 32 -4.456 5.893 12.196 1.00 20.43 C ATOM 521 O ASP A 32 -5.179 5.862 13.198 1.00 60.01 O ATOM 522 CB ASP A 32 -2.442 7.304 11.656 1.00 53.21 C ATOM 523 CG ASP A 32 -0.934 7.468 11.745 1.00 23.34 C ATOM 524 OD1 ASP A 32 -0.445 7.974 12.777 1.00 22.52 O ATOM 525 OD2 ASP A 32 -0.227 7.088 10.787 1.00 62.21 O ATOM 0 H ASP A 32 -1.901 5.018 10.783 1.00 65.33 H new ATOM 0 HA ASP A 32 -2.684 6.042 13.388 1.00 63.52 H new ATOM 0 HB2 ASP A 32 -2.744 7.303 10.609 1.00 53.21 H new ATOM 0 HB3 ASP A 32 -2.927 8.159 12.127 1.00 53.21 H new ATOM 530 N MET A 33 -4.940 5.816 10.958 1.00 62.51 N ATOM 531 CA MET A 33 -6.381 5.710 10.691 1.00 52.53 C ATOM 532 C MET A 33 -6.874 4.261 10.824 1.00 73.14 C ATOM 533 O MET A 33 -6.079 3.328 10.936 1.00 4.43 O ATOM 534 CB MET A 33 -6.715 6.259 9.293 1.00 41.11 C ATOM 535 CG MET A 33 -5.986 5.555 8.153 1.00 10.03 C ATOM 536 SD MET A 33 -4.198 5.784 8.220 1.00 2.11 S ATOM 537 CE MET A 33 -4.058 7.561 8.013 1.00 31.22 C ATOM 0 H MET A 33 -4.358 5.825 10.120 1.00 62.51 H new ATOM 0 HA MET A 33 -6.898 6.311 11.439 1.00 52.53 H new ATOM 0 HB2 MET A 33 -7.789 6.174 9.129 1.00 41.11 H new ATOM 0 HB3 MET A 33 -6.471 7.321 9.264 1.00 41.11 H new ATOM 0 HG2 MET A 33 -6.213 4.489 8.186 1.00 10.03 H new ATOM 0 HG3 MET A 33 -6.361 5.931 7.201 1.00 10.03 H new ATOM 0 HE1 MET A 33 -3.045 7.812 7.699 1.00 31.22 H new ATOM 0 HE2 MET A 33 -4.766 7.896 7.255 1.00 31.22 H new ATOM 0 HE3 MET A 33 -4.278 8.056 8.959 1.00 31.22 H new ATOM 547 N ASN A 34 -8.194 4.075 10.814 1.00 61.03 N ATOM 548 CA ASN A 34 -8.784 2.736 10.937 1.00 43.24 C ATOM 549 C ASN A 34 -9.005 2.090 9.559 1.00 61.33 C ATOM 550 O ASN A 34 -8.942 2.761 8.526 1.00 22.25 O ATOM 551 CB ASN A 34 -10.104 2.805 11.711 1.00 44.22 C ATOM 552 CG ASN A 34 -9.909 3.329 13.123 1.00 31.41 C ATOM 553 OD1 ASN A 34 -9.599 2.579 14.042 1.00 24.20 O ATOM 554 ND2 ASN A 34 -10.103 4.617 13.311 1.00 52.33 N ATOM 0 H ASN A 34 -8.875 4.829 10.723 1.00 61.03 H new ATOM 0 HA ASN A 34 -8.082 2.111 11.489 1.00 43.24 H new ATOM 0 HB2 ASN A 34 -10.803 3.450 11.178 1.00 44.22 H new ATOM 0 HB3 ASN A 34 -10.553 1.813 11.751 1.00 44.22 H new ATOM 0 HD21 ASN A 34 -9.996 5.018 14.243 1.00 52.33 H new ATOM 0 HD22 ASN A 34 -10.360 5.214 12.525 1.00 52.33 H new ATOM 561 N GLN A 35 -9.283 0.787 9.559 1.00 12.44 N ATOM 562 CA GLN A 35 -9.401 0.006 8.319 1.00 64.55 C ATOM 563 C GLN A 35 -10.447 0.595 7.354 1.00 3.15 C ATOM 564 O GLN A 35 -10.190 0.735 6.156 1.00 32.23 O ATOM 565 CB GLN A 35 -9.740 -1.456 8.656 1.00 12.32 C ATOM 566 CG GLN A 35 -8.682 -2.146 9.516 1.00 21.40 C ATOM 567 CD GLN A 35 -9.065 -3.563 9.931 1.00 60.24 C ATOM 568 OE1 GLN A 35 -9.819 -4.256 9.097 1.00 61.45 O flip ATOM 569 NE2 GLN A 35 -8.677 -4.035 10.996 1.00 54.41 N flip ATOM 0 H GLN A 35 -9.432 0.243 10.409 1.00 12.44 H new ATOM 0 HA GLN A 35 -8.440 0.049 7.807 1.00 64.55 H new ATOM 0 HB2 GLN A 35 -10.697 -1.488 9.177 1.00 12.32 H new ATOM 0 HB3 GLN A 35 -9.863 -2.015 7.728 1.00 12.32 H new ATOM 0 HG2 GLN A 35 -7.742 -2.179 8.965 1.00 21.40 H new ATOM 0 HG3 GLN A 35 -8.506 -1.549 10.411 1.00 21.40 H new ATOM 0 HE21 GLN A 35 -8.096 -3.476 11.620 1.00 54.41 H new ATOM 0 HE22 GLN A 35 -8.936 -4.986 11.257 1.00 54.41 H new ATOM 578 N SER A 36 -11.619 0.955 7.880 1.00 30.33 N ATOM 579 CA SER A 36 -12.690 1.550 7.059 1.00 72.30 C ATOM 580 C SER A 36 -12.252 2.878 6.408 1.00 63.41 C ATOM 581 O SER A 36 -12.813 3.298 5.398 1.00 3.51 O ATOM 582 CB SER A 36 -13.951 1.786 7.907 1.00 52.35 C ATOM 583 OG SER A 36 -15.011 2.326 7.128 1.00 61.22 O ATOM 0 H SER A 36 -11.856 0.848 8.866 1.00 30.33 H new ATOM 0 HA SER A 36 -12.911 0.840 6.262 1.00 72.30 H new ATOM 0 HB2 SER A 36 -14.270 0.845 8.355 1.00 52.35 H new ATOM 0 HB3 SER A 36 -13.717 2.466 8.726 1.00 52.35 H new ATOM 0 HG SER A 36 -15.798 2.463 7.696 1.00 61.22 H new ATOM 589 N SER A 37 -11.245 3.532 6.989 1.00 15.45 N ATOM 590 CA SER A 37 -10.743 4.817 6.470 1.00 52.34 C ATOM 591 C SER A 37 -9.804 4.623 5.270 1.00 10.33 C ATOM 592 O SER A 37 -9.580 5.552 4.494 1.00 51.40 O ATOM 593 CB SER A 37 -10.011 5.591 7.573 1.00 14.43 C ATOM 594 OG SER A 37 -9.509 6.838 7.106 1.00 33.20 O ATOM 0 H SER A 37 -10.757 3.197 7.820 1.00 15.45 H new ATOM 0 HA SER A 37 -11.609 5.388 6.134 1.00 52.34 H new ATOM 0 HB2 SER A 37 -10.691 5.763 8.407 1.00 14.43 H new ATOM 0 HB3 SER A 37 -9.187 4.988 7.953 1.00 14.43 H new ATOM 0 HG SER A 37 -9.194 7.369 7.867 1.00 33.20 H new ATOM 600 N LEU A 38 -9.255 3.419 5.125 1.00 70.03 N ATOM 601 CA LEU A 38 -8.345 3.110 4.011 1.00 55.43 C ATOM 602 C LEU A 38 -9.119 3.039 2.683 1.00 14.04 C ATOM 603 O LEU A 38 -8.731 3.654 1.687 1.00 60.20 O ATOM 604 CB LEU A 38 -7.610 1.781 4.295 1.00 51.01 C ATOM 605 CG LEU A 38 -6.433 1.424 3.356 1.00 34.44 C ATOM 606 CD1 LEU A 38 -5.514 0.397 4.019 1.00 62.30 C ATOM 607 CD2 LEU A 38 -6.928 0.883 2.015 1.00 61.23 C ATOM 0 H LEU A 38 -9.421 2.639 5.761 1.00 70.03 H new ATOM 0 HA LEU A 38 -7.606 3.906 3.922 1.00 55.43 H new ATOM 0 HB2 LEU A 38 -7.233 1.812 5.317 1.00 51.01 H new ATOM 0 HB3 LEU A 38 -8.339 0.972 4.249 1.00 51.01 H new ATOM 0 HG LEU A 38 -5.875 2.341 3.168 1.00 34.44 H new ATOM 0 HD11 LEU A 38 -4.691 0.157 3.346 1.00 62.30 H new ATOM 0 HD12 LEU A 38 -5.116 0.810 4.946 1.00 62.30 H new ATOM 0 HD13 LEU A 38 -6.079 -0.509 4.239 1.00 62.30 H new ATOM 0 HD21 LEU A 38 -6.074 0.643 1.382 1.00 61.23 H new ATOM 0 HD22 LEU A 38 -7.520 -0.017 2.182 1.00 61.23 H new ATOM 0 HD23 LEU A 38 -7.544 1.636 1.524 1.00 61.23 H new ATOM 619 N ALA A 39 -10.230 2.303 2.687 1.00 65.50 N ATOM 620 CA ALA A 39 -11.056 2.124 1.484 1.00 55.31 C ATOM 621 C ALA A 39 -11.707 3.440 1.011 1.00 33.42 C ATOM 622 O ALA A 39 -12.343 3.483 -0.045 1.00 75.34 O ATOM 623 CB ALA A 39 -12.121 1.062 1.742 1.00 61.31 C ATOM 0 H ALA A 39 -10.583 1.818 3.512 1.00 65.50 H new ATOM 0 HA ALA A 39 -10.397 1.795 0.680 1.00 55.31 H new ATOM 0 HB1 ALA A 39 -12.730 0.933 0.848 1.00 61.31 H new ATOM 0 HB2 ALA A 39 -11.639 0.117 1.992 1.00 61.31 H new ATOM 0 HB3 ALA A 39 -12.755 1.376 2.571 1.00 61.31 H new ATOM 629 N LYS A 40 -11.556 4.505 1.799 1.00 65.23 N ATOM 630 CA LYS A 40 -12.078 5.826 1.427 1.00 72.32 C ATOM 631 C LYS A 40 -11.473 6.323 0.109 1.00 43.13 C ATOM 632 O LYS A 40 -12.191 6.581 -0.858 1.00 24.14 O ATOM 633 CB LYS A 40 -11.797 6.847 2.541 1.00 52.11 C ATOM 634 CG LYS A 40 -12.659 6.658 3.786 1.00 61.35 C ATOM 635 CD LYS A 40 -14.129 7.009 3.536 1.00 3.15 C ATOM 636 CE LYS A 40 -14.374 8.518 3.464 1.00 2.22 C ATOM 637 NZ LYS A 40 -13.695 9.160 2.307 1.00 71.21 N ATOM 0 H LYS A 40 -11.077 4.482 2.699 1.00 65.23 H new ATOM 0 HA LYS A 40 -13.155 5.724 1.290 1.00 72.32 H new ATOM 0 HB2 LYS A 40 -10.747 6.780 2.825 1.00 52.11 H new ATOM 0 HB3 LYS A 40 -11.958 7.851 2.149 1.00 52.11 H new ATOM 0 HG2 LYS A 40 -12.587 5.623 4.121 1.00 61.35 H new ATOM 0 HG3 LYS A 40 -12.271 7.282 4.592 1.00 61.35 H new ATOM 0 HD2 LYS A 40 -14.455 6.548 2.604 1.00 3.15 H new ATOM 0 HD3 LYS A 40 -14.740 6.584 4.332 1.00 3.15 H new ATOM 0 HE2 LYS A 40 -15.446 8.704 3.399 1.00 2.22 H new ATOM 0 HE3 LYS A 40 -14.025 8.982 4.387 1.00 2.22 H new ATOM 0 HZ1 LYS A 40 -14.254 9.976 1.986 1.00 71.21 H new ATOM 0 HZ2 LYS A 40 -12.748 9.480 2.594 1.00 71.21 H new ATOM 0 HZ3 LYS A 40 -13.607 8.473 1.531 1.00 71.21 H new ATOM 651 N GLU A 41 -10.150 6.460 0.080 1.00 75.40 N ATOM 652 CA GLU A 41 -9.459 7.005 -1.095 1.00 25.14 C ATOM 653 C GLU A 41 -8.843 5.899 -1.963 1.00 41.12 C ATOM 654 O GLU A 41 -8.683 6.066 -3.171 1.00 72.44 O ATOM 655 CB GLU A 41 -8.371 7.996 -0.651 1.00 2.13 C ATOM 656 CG GLU A 41 -8.887 9.123 0.244 1.00 32.30 C ATOM 657 CD GLU A 41 -10.051 9.888 -0.375 1.00 23.13 C ATOM 658 OE1 GLU A 41 -9.828 10.648 -1.338 1.00 41.24 O ATOM 659 OE2 GLU A 41 -11.198 9.736 0.103 1.00 44.52 O ATOM 0 H GLU A 41 -9.533 6.204 0.851 1.00 75.40 H new ATOM 0 HA GLU A 41 -10.200 7.524 -1.703 1.00 25.14 H new ATOM 0 HB2 GLU A 41 -7.592 7.450 -0.119 1.00 2.13 H new ATOM 0 HB3 GLU A 41 -7.907 8.432 -1.536 1.00 2.13 H new ATOM 0 HG2 GLU A 41 -9.201 8.705 1.200 1.00 32.30 H new ATOM 0 HG3 GLU A 41 -8.072 9.817 0.452 1.00 32.30 H new ATOM 666 N CYS A 42 -8.491 4.775 -1.344 1.00 42.23 N ATOM 667 CA CYS A 42 -7.881 3.654 -2.069 1.00 72.21 C ATOM 668 C CYS A 42 -8.934 2.821 -2.817 1.00 13.35 C ATOM 669 O CYS A 42 -10.010 2.541 -2.283 1.00 4.13 O ATOM 670 CB CYS A 42 -7.101 2.755 -1.105 1.00 32.35 C ATOM 671 SG CYS A 42 -6.343 1.311 -1.894 1.00 10.21 S ATOM 0 H CYS A 42 -8.616 4.612 -0.345 1.00 42.23 H new ATOM 0 HA CYS A 42 -7.197 4.076 -2.805 1.00 72.21 H new ATOM 0 HB2 CYS A 42 -6.321 3.345 -0.625 1.00 32.35 H new ATOM 0 HB3 CYS A 42 -7.773 2.415 -0.317 1.00 32.35 H new ATOM 0 HG CYS A 42 -5.705 0.614 -1.001 1.00 10.21 H new ATOM 677 N PRO A 43 -8.639 2.406 -4.069 1.00 72.25 N ATOM 678 CA PRO A 43 -9.572 1.598 -4.878 1.00 43.32 C ATOM 679 C PRO A 43 -9.739 0.164 -4.344 1.00 44.31 C ATOM 680 O PRO A 43 -10.640 -0.568 -4.764 1.00 72.31 O ATOM 681 CB PRO A 43 -8.914 1.586 -6.266 1.00 13.41 C ATOM 682 CG PRO A 43 -7.460 1.780 -5.993 1.00 21.13 C ATOM 683 CD PRO A 43 -7.387 2.695 -4.799 1.00 62.23 C ATOM 0 HA PRO A 43 -10.580 2.013 -4.869 1.00 43.32 H new ATOM 0 HB2 PRO A 43 -9.098 0.645 -6.784 1.00 13.41 H new ATOM 0 HB3 PRO A 43 -9.308 2.381 -6.899 1.00 13.41 H new ATOM 0 HG2 PRO A 43 -6.970 0.828 -5.787 1.00 21.13 H new ATOM 0 HG3 PRO A 43 -6.955 2.219 -6.854 1.00 21.13 H new ATOM 0 HD2 PRO A 43 -6.509 2.488 -4.188 1.00 62.23 H new ATOM 0 HD3 PRO A 43 -7.328 3.742 -5.098 1.00 62.23 H new ATOM 691 N LEU A 44 -8.867 -0.237 -3.420 1.00 42.05 N ATOM 692 CA LEU A 44 -8.926 -1.575 -2.831 1.00 64.44 C ATOM 693 C LEU A 44 -9.964 -1.640 -1.702 1.00 35.10 C ATOM 694 O LEU A 44 -9.847 -0.937 -0.696 1.00 20.12 O ATOM 695 CB LEU A 44 -7.553 -1.991 -2.290 1.00 43.23 C ATOM 696 CG LEU A 44 -6.395 -1.954 -3.300 1.00 73.34 C ATOM 697 CD1 LEU A 44 -5.117 -2.501 -2.666 1.00 74.33 C ATOM 698 CD2 LEU A 44 -6.745 -2.729 -4.572 1.00 1.44 C ATOM 0 H LEU A 44 -8.110 0.346 -3.062 1.00 42.05 H new ATOM 0 HA LEU A 44 -9.224 -2.266 -3.620 1.00 64.44 H new ATOM 0 HB2 LEU A 44 -7.301 -1.339 -1.453 1.00 43.23 H new ATOM 0 HB3 LEU A 44 -7.632 -3.003 -1.893 1.00 43.23 H new ATOM 0 HG LEU A 44 -6.225 -0.915 -3.582 1.00 73.34 H new ATOM 0 HD11 LEU A 44 -4.307 -2.468 -3.394 1.00 74.33 H new ATOM 0 HD12 LEU A 44 -4.852 -1.894 -1.800 1.00 74.33 H new ATOM 0 HD13 LEU A 44 -5.280 -3.532 -2.351 1.00 74.33 H new ATOM 0 HD21 LEU A 44 -5.907 -2.685 -5.267 1.00 1.44 H new ATOM 0 HD22 LEU A 44 -6.952 -3.769 -4.319 1.00 1.44 H new ATOM 0 HD23 LEU A 44 -7.626 -2.286 -5.037 1.00 1.44 H new ATOM 710 N SER A 45 -10.980 -2.483 -1.876 1.00 13.15 N ATOM 711 CA SER A 45 -12.003 -2.685 -0.842 1.00 2.12 C ATOM 712 C SER A 45 -11.395 -3.311 0.422 1.00 45.33 C ATOM 713 O SER A 45 -10.639 -4.283 0.341 1.00 53.30 O ATOM 714 CB SER A 45 -13.137 -3.577 -1.371 1.00 24.44 C ATOM 715 OG SER A 45 -14.108 -3.829 -0.365 1.00 54.13 O ATOM 0 H SER A 45 -11.120 -3.038 -2.720 1.00 13.15 H new ATOM 0 HA SER A 45 -12.410 -1.708 -0.583 1.00 2.12 H new ATOM 0 HB2 SER A 45 -13.612 -3.096 -2.226 1.00 24.44 H new ATOM 0 HB3 SER A 45 -12.724 -4.521 -1.726 1.00 24.44 H new ATOM 0 HG SER A 45 -14.057 -4.768 -0.089 1.00 54.13 H new ATOM 721 N GLN A 46 -11.745 -2.761 1.586 1.00 24.14 N ATOM 722 CA GLN A 46 -11.181 -3.198 2.872 1.00 3.40 C ATOM 723 C GLN A 46 -11.305 -4.722 3.050 1.00 44.23 C ATOM 724 O GLN A 46 -10.351 -5.391 3.455 1.00 75.13 O ATOM 725 CB GLN A 46 -11.880 -2.444 4.023 1.00 70.22 C ATOM 726 CG GLN A 46 -11.179 -2.530 5.385 1.00 14.50 C ATOM 727 CD GLN A 46 -11.507 -3.792 6.171 1.00 3.52 C ATOM 728 OE1 GLN A 46 -10.704 -4.826 6.027 1.00 61.33 O flip ATOM 729 NE2 GLN A 46 -12.472 -3.830 6.925 1.00 55.43 N flip ATOM 0 H GLN A 46 -12.423 -2.004 1.668 1.00 24.14 H new ATOM 0 HA GLN A 46 -10.117 -2.961 2.887 1.00 3.40 H new ATOM 0 HB2 GLN A 46 -11.970 -1.394 3.745 1.00 70.22 H new ATOM 0 HB3 GLN A 46 -12.892 -2.834 4.129 1.00 70.22 H new ATOM 0 HG2 GLN A 46 -10.101 -2.480 5.231 1.00 14.50 H new ATOM 0 HG3 GLN A 46 -11.457 -1.661 5.981 1.00 14.50 H new ATOM 0 HE21 GLN A 46 -13.079 -3.015 7.019 1.00 55.43 H new ATOM 0 HE22 GLN A 46 -12.669 -4.676 7.459 1.00 55.43 H new ATOM 738 N SER A 47 -12.473 -5.266 2.725 1.00 5.02 N ATOM 739 CA SER A 47 -12.695 -6.717 2.805 1.00 43.34 C ATOM 740 C SER A 47 -11.762 -7.481 1.849 1.00 23.00 C ATOM 741 O SER A 47 -11.193 -8.513 2.211 1.00 71.45 O ATOM 742 CB SER A 47 -14.156 -7.056 2.488 1.00 0.42 C ATOM 743 OG SER A 47 -14.492 -6.746 1.145 1.00 33.21 O ATOM 0 H SER A 47 -13.281 -4.732 2.404 1.00 5.02 H new ATOM 0 HA SER A 47 -12.469 -7.028 3.825 1.00 43.34 H new ATOM 0 HB2 SER A 47 -14.330 -8.116 2.670 1.00 0.42 H new ATOM 0 HB3 SER A 47 -14.811 -6.505 3.163 1.00 0.42 H new ATOM 0 HG SER A 47 -15.430 -6.977 0.981 1.00 33.21 H new ATOM 749 N MET A 48 -11.587 -6.945 0.641 1.00 74.21 N ATOM 750 CA MET A 48 -10.727 -7.563 -0.378 1.00 40.42 C ATOM 751 C MET A 48 -9.233 -7.379 -0.048 1.00 64.44 C ATOM 752 O MET A 48 -8.355 -7.807 -0.805 1.00 71.11 O ATOM 753 CB MET A 48 -11.049 -6.969 -1.755 1.00 44.32 C ATOM 754 CG MET A 48 -12.512 -7.116 -2.155 1.00 75.21 C ATOM 755 SD MET A 48 -12.883 -6.350 -3.746 1.00 10.21 S ATOM 756 CE MET A 48 -11.979 -7.415 -4.868 1.00 21.10 C ATOM 0 H MET A 48 -12.031 -6.078 0.339 1.00 74.21 H new ATOM 0 HA MET A 48 -10.928 -8.634 -0.389 1.00 40.42 H new ATOM 0 HB2 MET A 48 -10.785 -5.911 -1.756 1.00 44.32 H new ATOM 0 HB3 MET A 48 -10.425 -7.454 -2.506 1.00 44.32 H new ATOM 0 HG2 MET A 48 -12.767 -8.175 -2.198 1.00 75.21 H new ATOM 0 HG3 MET A 48 -13.141 -6.668 -1.386 1.00 75.21 H new ATOM 0 HE1 MET A 48 -11.169 -6.852 -5.331 1.00 21.10 H new ATOM 0 HE2 MET A 48 -11.565 -8.258 -4.315 1.00 21.10 H new ATOM 0 HE3 MET A 48 -12.653 -7.784 -5.641 1.00 21.10 H new ATOM 766 N ILE A 49 -8.960 -6.700 1.066 1.00 60.21 N ATOM 767 CA ILE A 49 -7.610 -6.622 1.636 1.00 11.13 C ATOM 768 C ILE A 49 -7.486 -7.564 2.846 1.00 30.42 C ATOM 769 O ILE A 49 -6.452 -8.205 3.054 1.00 24.54 O ATOM 770 CB ILE A 49 -7.275 -5.179 2.090 1.00 32.03 C ATOM 771 CG1 ILE A 49 -7.423 -4.195 0.918 1.00 61.13 C ATOM 772 CG2 ILE A 49 -5.866 -5.107 2.685 1.00 15.30 C ATOM 773 CD1 ILE A 49 -7.225 -2.744 1.310 1.00 24.21 C ATOM 0 H ILE A 49 -9.664 -6.189 1.599 1.00 60.21 H new ATOM 0 HA ILE A 49 -6.908 -6.921 0.858 1.00 11.13 H new ATOM 0 HB ILE A 49 -7.984 -4.894 2.868 1.00 32.03 H new ATOM 0 HG12 ILE A 49 -6.701 -4.455 0.144 1.00 61.13 H new ATOM 0 HG13 ILE A 49 -8.415 -4.312 0.481 1.00 61.13 H new ATOM 0 HG21 ILE A 49 -5.654 -4.084 2.996 1.00 15.30 H new ATOM 0 HG22 ILE A 49 -5.801 -5.770 3.548 1.00 15.30 H new ATOM 0 HG23 ILE A 49 -5.138 -5.416 1.935 1.00 15.30 H new ATOM 0 HD11 ILE A 49 -7.345 -2.110 0.431 1.00 24.21 H new ATOM 0 HD12 ILE A 49 -7.964 -2.466 2.061 1.00 24.21 H new ATOM 0 HD13 ILE A 49 -6.224 -2.611 1.720 1.00 24.21 H new ATOM 785 N SER A 50 -8.564 -7.643 3.632 1.00 1.34 N ATOM 786 CA SER A 50 -8.595 -8.446 4.871 1.00 43.02 C ATOM 787 C SER A 50 -8.203 -9.910 4.621 1.00 61.33 C ATOM 788 O SER A 50 -7.284 -10.433 5.255 1.00 44.21 O ATOM 789 CB SER A 50 -9.992 -8.388 5.507 1.00 72.35 C ATOM 790 OG SER A 50 -10.042 -9.117 6.722 1.00 21.04 O ATOM 0 H SER A 50 -9.439 -7.157 3.434 1.00 1.34 H new ATOM 0 HA SER A 50 -7.861 -8.015 5.552 1.00 43.02 H new ATOM 0 HB2 SER A 50 -10.265 -7.349 5.694 1.00 72.35 H new ATOM 0 HB3 SER A 50 -10.727 -8.790 4.810 1.00 72.35 H new ATOM 0 HG SER A 50 -10.944 -9.059 7.102 1.00 21.04 H new ATOM 796 N SER A 51 -8.887 -10.559 3.682 1.00 14.02 N ATOM 797 CA SER A 51 -8.616 -11.970 3.352 1.00 71.22 C ATOM 798 C SER A 51 -7.163 -12.202 2.908 1.00 14.42 C ATOM 799 O SER A 51 -6.665 -13.329 2.955 1.00 23.23 O ATOM 800 CB SER A 51 -9.574 -12.456 2.258 1.00 21.11 C ATOM 801 OG SER A 51 -10.922 -12.431 2.708 1.00 64.22 O ATOM 0 H SER A 51 -9.635 -10.137 3.132 1.00 14.02 H new ATOM 0 HA SER A 51 -8.776 -12.544 4.265 1.00 71.22 H new ATOM 0 HB2 SER A 51 -9.471 -11.826 1.374 1.00 21.11 H new ATOM 0 HB3 SER A 51 -9.306 -13.470 1.960 1.00 21.11 H new ATOM 0 HG SER A 51 -11.079 -13.187 3.312 1.00 64.22 H new ATOM 807 N ILE A 52 -6.486 -11.137 2.477 1.00 15.12 N ATOM 808 CA ILE A 52 -5.078 -11.223 2.070 1.00 12.10 C ATOM 809 C ILE A 52 -4.142 -11.166 3.291 1.00 60.01 C ATOM 810 O ILE A 52 -3.320 -12.063 3.502 1.00 22.50 O ATOM 811 CB ILE A 52 -4.706 -10.088 1.078 1.00 5.24 C ATOM 812 CG1 ILE A 52 -5.607 -10.150 -0.169 1.00 74.14 C ATOM 813 CG2 ILE A 52 -3.230 -10.175 0.687 1.00 42.21 C ATOM 814 CD1 ILE A 52 -5.340 -9.051 -1.181 1.00 1.35 C ATOM 0 H ILE A 52 -6.888 -10.203 2.400 1.00 15.12 H new ATOM 0 HA ILE A 52 -4.949 -12.182 1.569 1.00 12.10 H new ATOM 0 HB ILE A 52 -4.868 -9.130 1.572 1.00 5.24 H new ATOM 0 HG12 ILE A 52 -5.472 -11.117 -0.654 1.00 74.14 H new ATOM 0 HG13 ILE A 52 -6.649 -10.094 0.146 1.00 74.14 H new ATOM 0 HG21 ILE A 52 -2.990 -9.371 -0.009 1.00 42.21 H new ATOM 0 HG22 ILE A 52 -2.611 -10.080 1.579 1.00 42.21 H new ATOM 0 HG23 ILE A 52 -3.036 -11.136 0.211 1.00 42.21 H new ATOM 0 HD11 ILE A 52 -6.015 -9.165 -2.029 1.00 1.35 H new ATOM 0 HD12 ILE A 52 -5.504 -8.079 -0.715 1.00 1.35 H new ATOM 0 HD13 ILE A 52 -4.309 -9.118 -1.527 1.00 1.35 H new ATOM 826 N VAL A 53 -4.280 -10.113 4.102 1.00 5.21 N ATOM 827 CA VAL A 53 -3.448 -9.945 5.305 1.00 5.52 C ATOM 828 C VAL A 53 -3.738 -11.038 6.350 1.00 35.40 C ATOM 829 O VAL A 53 -2.897 -11.338 7.203 1.00 4.33 O ATOM 830 CB VAL A 53 -3.653 -8.548 5.948 1.00 42.53 C ATOM 831 CG1 VAL A 53 -3.290 -7.440 4.960 1.00 2.51 C ATOM 832 CG2 VAL A 53 -5.087 -8.377 6.454 1.00 24.35 C ATOM 0 H VAL A 53 -4.956 -9.365 3.951 1.00 5.21 H new ATOM 0 HA VAL A 53 -2.411 -10.035 4.982 1.00 5.52 H new ATOM 0 HB VAL A 53 -2.986 -8.473 6.807 1.00 42.53 H new ATOM 0 HG11 VAL A 53 -3.441 -6.469 5.431 1.00 2.51 H new ATOM 0 HG12 VAL A 53 -2.245 -7.542 4.666 1.00 2.51 H new ATOM 0 HG13 VAL A 53 -3.924 -7.518 4.077 1.00 2.51 H new ATOM 0 HG21 VAL A 53 -5.200 -7.389 6.899 1.00 24.35 H new ATOM 0 HG22 VAL A 53 -5.782 -8.481 5.621 1.00 24.35 H new ATOM 0 HG23 VAL A 53 -5.302 -9.139 7.203 1.00 24.35 H new ATOM 842 N ASN A 54 -4.936 -11.617 6.274 1.00 73.33 N ATOM 843 CA ASN A 54 -5.336 -12.743 7.131 1.00 31.02 C ATOM 844 C ASN A 54 -4.286 -13.877 7.118 1.00 64.11 C ATOM 845 O ASN A 54 -3.984 -14.476 8.154 1.00 42.05 O ATOM 846 CB ASN A 54 -6.696 -13.267 6.657 1.00 13.13 C ATOM 847 CG ASN A 54 -7.071 -14.582 7.298 1.00 71.00 C ATOM 848 OD1 ASN A 54 -6.765 -15.643 6.772 1.00 73.21 O ATOM 849 ND2 ASN A 54 -7.722 -14.526 8.437 1.00 71.50 N ATOM 0 H ASN A 54 -5.659 -11.322 5.618 1.00 73.33 H new ATOM 0 HA ASN A 54 -5.409 -12.389 8.159 1.00 31.02 H new ATOM 0 HB2 ASN A 54 -7.464 -12.527 6.881 1.00 13.13 H new ATOM 0 HB3 ASN A 54 -6.676 -13.388 5.574 1.00 13.13 H new ATOM 0 HD21 ASN A 54 -7.990 -15.387 8.914 1.00 71.50 H new ATOM 0 HD22 ASN A 54 -7.960 -13.622 8.845 1.00 71.50 H new ATOM 856 N SER A 55 -3.763 -14.177 5.927 1.00 22.20 N ATOM 857 CA SER A 55 -2.609 -15.086 5.759 1.00 4.44 C ATOM 858 C SER A 55 -2.913 -16.566 6.068 1.00 23.05 C ATOM 859 O SER A 55 -2.000 -17.393 6.055 1.00 51.31 O ATOM 860 CB SER A 55 -1.422 -14.616 6.617 1.00 42.12 C ATOM 861 OG SER A 55 -1.048 -13.284 6.292 1.00 43.02 O ATOM 0 H SER A 55 -4.121 -13.801 5.049 1.00 22.20 H new ATOM 0 HA SER A 55 -2.359 -15.038 4.699 1.00 4.44 H new ATOM 0 HB2 SER A 55 -1.687 -14.675 7.673 1.00 42.12 H new ATOM 0 HB3 SER A 55 -0.573 -15.282 6.464 1.00 42.12 H new ATOM 0 HG SER A 55 -1.717 -12.661 6.645 1.00 43.02 H new ATOM 867 N THR A 56 -4.171 -16.919 6.337 1.00 61.32 N ATOM 868 CA THR A 56 -4.523 -18.338 6.567 1.00 13.20 C ATOM 869 C THR A 56 -5.019 -19.012 5.281 1.00 21.55 C ATOM 870 O THR A 56 -4.726 -20.181 5.029 1.00 21.52 O ATOM 871 CB THR A 56 -5.600 -18.529 7.664 1.00 75.24 C ATOM 872 OG1 THR A 56 -6.893 -18.139 7.177 1.00 53.20 O ATOM 873 CG2 THR A 56 -5.260 -17.724 8.912 1.00 24.11 C ATOM 0 H THR A 56 -4.952 -16.267 6.402 1.00 61.32 H new ATOM 0 HA THR A 56 -3.599 -18.807 6.905 1.00 13.20 H new ATOM 0 HB THR A 56 -5.620 -19.587 7.925 1.00 75.24 H new ATOM 0 HG1 THR A 56 -6.809 -17.322 6.643 1.00 53.20 H new ATOM 0 HG21 THR A 56 -6.033 -17.877 9.665 1.00 24.11 H new ATOM 0 HG22 THR A 56 -4.299 -18.053 9.306 1.00 24.11 H new ATOM 0 HG23 THR A 56 -5.205 -16.665 8.658 1.00 24.11 H new ATOM 881 N TYR A 57 -5.776 -18.271 4.472 1.00 74.05 N ATOM 882 CA TYR A 57 -6.289 -18.792 3.194 1.00 23.42 C ATOM 883 C TYR A 57 -6.069 -17.795 2.039 1.00 25.03 C ATOM 884 O TYR A 57 -6.751 -17.861 1.015 1.00 12.41 O ATOM 885 CB TYR A 57 -7.785 -19.128 3.325 1.00 2.51 C ATOM 886 CG TYR A 57 -8.684 -17.935 3.622 1.00 32.41 C ATOM 887 CD1 TYR A 57 -8.834 -17.457 4.919 1.00 43.22 C ATOM 888 CD2 TYR A 57 -9.389 -17.295 2.606 1.00 12.02 C ATOM 889 CE1 TYR A 57 -9.653 -16.380 5.196 1.00 51.54 C ATOM 890 CE2 TYR A 57 -10.212 -16.218 2.875 1.00 40.33 C ATOM 891 CZ TYR A 57 -10.341 -15.764 4.171 1.00 71.30 C ATOM 892 OH TYR A 57 -11.167 -14.693 4.443 1.00 25.13 O ATOM 0 H TYR A 57 -6.050 -17.309 4.674 1.00 74.05 H new ATOM 0 HA TYR A 57 -5.732 -19.698 2.958 1.00 23.42 H new ATOM 0 HB2 TYR A 57 -8.120 -19.596 2.399 1.00 2.51 H new ATOM 0 HB3 TYR A 57 -7.909 -19.865 4.118 1.00 2.51 H new ATOM 0 HD1 TYR A 57 -8.300 -17.937 5.725 1.00 43.22 H new ATOM 0 HD2 TYR A 57 -9.291 -17.647 1.590 1.00 12.02 H new ATOM 0 HE1 TYR A 57 -9.754 -16.022 6.210 1.00 51.54 H new ATOM 0 HE2 TYR A 57 -10.752 -15.734 2.074 1.00 40.33 H new ATOM 0 HH TYR A 57 -10.824 -14.205 5.221 1.00 25.13 H new ATOM 902 N TYR A 58 -5.097 -16.893 2.194 1.00 51.42 N ATOM 903 CA TYR A 58 -4.845 -15.849 1.188 1.00 21.12 C ATOM 904 C TYR A 58 -4.517 -16.458 -0.190 1.00 22.23 C ATOM 905 O TYR A 58 -3.534 -17.181 -0.351 1.00 5.32 O ATOM 906 CB TYR A 58 -3.716 -14.906 1.650 1.00 42.42 C ATOM 907 CG TYR A 58 -2.319 -15.518 1.635 1.00 14.14 C ATOM 908 CD1 TYR A 58 -1.941 -16.478 2.570 1.00 53.43 C ATOM 909 CD2 TYR A 58 -1.379 -15.129 0.682 1.00 62.32 C ATOM 910 CE1 TYR A 58 -0.671 -17.028 2.555 1.00 45.21 C ATOM 911 CE2 TYR A 58 -0.110 -15.676 0.663 1.00 40.34 C ATOM 912 CZ TYR A 58 0.240 -16.624 1.599 1.00 10.40 C ATOM 913 OH TYR A 58 1.504 -17.174 1.578 1.00 61.21 O ATOM 0 H TYR A 58 -4.473 -16.861 3.000 1.00 51.42 H new ATOM 0 HA TYR A 58 -5.760 -15.266 1.082 1.00 21.12 H new ATOM 0 HB2 TYR A 58 -3.716 -14.023 1.011 1.00 42.42 H new ATOM 0 HB3 TYR A 58 -3.937 -14.567 2.662 1.00 42.42 H new ATOM 0 HD1 TYR A 58 -2.650 -16.799 3.319 1.00 53.43 H new ATOM 0 HD2 TYR A 58 -1.647 -14.387 -0.055 1.00 62.32 H new ATOM 0 HE1 TYR A 58 -0.393 -17.771 3.288 1.00 45.21 H new ATOM 0 HE2 TYR A 58 0.605 -15.361 -0.083 1.00 40.34 H new ATOM 0 HH TYR A 58 2.019 -16.782 0.843 1.00 61.21 H new ATOM 923 N ALA A 59 -5.360 -16.175 -1.178 1.00 44.02 N ATOM 924 CA ALA A 59 -5.168 -16.692 -2.537 1.00 1.01 C ATOM 925 C ALA A 59 -4.336 -15.726 -3.390 1.00 32.30 C ATOM 926 O ALA A 59 -4.360 -14.511 -3.174 1.00 32.40 O ATOM 927 CB ALA A 59 -6.520 -16.953 -3.198 1.00 54.44 C ATOM 0 H ALA A 59 -6.187 -15.589 -1.066 1.00 44.02 H new ATOM 0 HA ALA A 59 -4.620 -17.631 -2.465 1.00 1.01 H new ATOM 0 HB1 ALA A 59 -6.364 -17.336 -4.206 1.00 54.44 H new ATOM 0 HB2 ALA A 59 -7.076 -17.686 -2.613 1.00 54.44 H new ATOM 0 HB3 ALA A 59 -7.087 -16.023 -3.247 1.00 54.44 H new ATOM 933 N ASN A 60 -3.607 -16.260 -4.368 1.00 4.15 N ATOM 934 CA ASN A 60 -2.795 -15.429 -5.258 1.00 32.41 C ATOM 935 C ASN A 60 -3.687 -14.751 -6.316 1.00 2.14 C ATOM 936 O ASN A 60 -3.683 -15.120 -7.491 1.00 62.23 O ATOM 937 CB ASN A 60 -1.699 -16.269 -5.930 1.00 24.04 C ATOM 938 CG ASN A 60 -0.649 -15.411 -6.612 1.00 74.23 C ATOM 939 OD1 ASN A 60 -0.771 -15.059 -7.780 1.00 3.35 O ATOM 940 ND2 ASN A 60 0.397 -15.066 -5.889 1.00 43.10 N ATOM 0 H ASN A 60 -3.561 -17.260 -4.565 1.00 4.15 H new ATOM 0 HA ASN A 60 -2.312 -14.653 -4.664 1.00 32.41 H new ATOM 0 HB2 ASN A 60 -1.219 -16.900 -5.182 1.00 24.04 H new ATOM 0 HB3 ASN A 60 -2.154 -16.934 -6.664 1.00 24.04 H new ATOM 0 HD21 ASN A 60 1.133 -14.491 -6.299 1.00 43.10 H new ATOM 0 HD22 ASN A 60 0.471 -15.374 -4.919 1.00 43.10 H new ATOM 947 N VAL A 61 -4.482 -13.784 -5.868 1.00 63.23 N ATOM 948 CA VAL A 61 -5.412 -13.062 -6.742 1.00 51.41 C ATOM 949 C VAL A 61 -4.691 -12.266 -7.843 1.00 0.43 C ATOM 950 O VAL A 61 -3.482 -12.016 -7.764 1.00 62.31 O ATOM 951 CB VAL A 61 -6.311 -12.107 -5.916 1.00 63.23 C ATOM 952 CG1 VAL A 61 -7.250 -12.899 -5.006 1.00 44.41 C ATOM 953 CG2 VAL A 61 -5.460 -11.137 -5.097 1.00 23.34 C ATOM 0 H VAL A 61 -4.503 -13.477 -4.895 1.00 63.23 H new ATOM 0 HA VAL A 61 -6.028 -13.818 -7.229 1.00 51.41 H new ATOM 0 HB VAL A 61 -6.918 -11.527 -6.611 1.00 63.23 H new ATOM 0 HG11 VAL A 61 -7.872 -12.209 -4.436 1.00 44.41 H new ATOM 0 HG12 VAL A 61 -7.886 -13.544 -5.612 1.00 44.41 H new ATOM 0 HG13 VAL A 61 -6.663 -13.510 -4.320 1.00 44.41 H new ATOM 0 HG21 VAL A 61 -6.111 -10.476 -4.525 1.00 23.34 H new ATOM 0 HG22 VAL A 61 -4.823 -11.699 -4.414 1.00 23.34 H new ATOM 0 HG23 VAL A 61 -4.838 -10.543 -5.767 1.00 23.34 H new ATOM 963 N SER A 62 -5.452 -11.864 -8.864 1.00 33.42 N ATOM 964 CA SER A 62 -4.907 -11.161 -10.036 1.00 11.12 C ATOM 965 C SER A 62 -4.031 -9.957 -9.653 1.00 23.11 C ATOM 966 O SER A 62 -4.273 -9.285 -8.646 1.00 60.32 O ATOM 967 CB SER A 62 -6.047 -10.694 -10.955 1.00 4.13 C ATOM 968 OG SER A 62 -6.807 -11.794 -11.435 1.00 31.11 O ATOM 0 H SER A 62 -6.460 -12.014 -8.905 1.00 33.42 H new ATOM 0 HA SER A 62 -4.272 -11.875 -10.561 1.00 11.12 H new ATOM 0 HB2 SER A 62 -6.698 -10.009 -10.411 1.00 4.13 H new ATOM 0 HB3 SER A 62 -5.634 -10.140 -11.798 1.00 4.13 H new ATOM 0 HG SER A 62 -7.526 -11.467 -12.015 1.00 31.11 H new ATOM 974 N ALA A 63 -3.014 -9.690 -10.475 1.00 3.40 N ATOM 975 CA ALA A 63 -2.093 -8.568 -10.251 1.00 53.22 C ATOM 976 C ALA A 63 -2.825 -7.219 -10.193 1.00 64.23 C ATOM 977 O ALA A 63 -2.311 -6.254 -9.633 1.00 53.30 O ATOM 978 CB ALA A 63 -1.024 -8.537 -11.338 1.00 34.32 C ATOM 0 H ALA A 63 -2.805 -10.239 -11.309 1.00 3.40 H new ATOM 0 HA ALA A 63 -1.621 -8.726 -9.281 1.00 53.22 H new ATOM 0 HB1 ALA A 63 -0.348 -7.701 -11.160 1.00 34.32 H new ATOM 0 HB2 ALA A 63 -0.460 -9.470 -11.320 1.00 34.32 H new ATOM 0 HB3 ALA A 63 -1.499 -8.419 -12.312 1.00 34.32 H new ATOM 984 N ALA A 64 -4.024 -7.161 -10.772 1.00 44.34 N ATOM 985 CA ALA A 64 -4.850 -5.944 -10.741 1.00 31.12 C ATOM 986 C ALA A 64 -5.024 -5.398 -9.312 1.00 25.34 C ATOM 987 O ALA A 64 -5.011 -4.187 -9.098 1.00 13.55 O ATOM 988 CB ALA A 64 -6.211 -6.215 -11.369 1.00 75.02 C ATOM 0 H ALA A 64 -4.450 -7.942 -11.271 1.00 44.34 H new ATOM 0 HA ALA A 64 -4.329 -5.182 -11.321 1.00 31.12 H new ATOM 0 HB1 ALA A 64 -6.813 -5.307 -11.340 1.00 75.02 H new ATOM 0 HB2 ALA A 64 -6.078 -6.529 -12.404 1.00 75.02 H new ATOM 0 HB3 ALA A 64 -6.718 -7.004 -10.813 1.00 75.02 H new ATOM 994 N LYS A 65 -5.171 -6.302 -8.340 1.00 13.23 N ATOM 995 CA LYS A 65 -5.306 -5.919 -6.924 1.00 74.33 C ATOM 996 C LYS A 65 -4.083 -5.116 -6.441 1.00 33.22 C ATOM 997 O LYS A 65 -4.172 -4.332 -5.497 1.00 12.24 O ATOM 998 CB LYS A 65 -5.468 -7.177 -6.055 1.00 62.32 C ATOM 999 CG LYS A 65 -6.652 -8.063 -6.452 1.00 14.52 C ATOM 1000 CD LYS A 65 -8.004 -7.504 -5.991 1.00 15.40 C ATOM 1001 CE LYS A 65 -8.305 -7.825 -4.523 1.00 31.40 C ATOM 1002 NZ LYS A 65 -7.536 -6.977 -3.572 1.00 1.54 N ATOM 0 H LYS A 65 -5.200 -7.308 -8.504 1.00 13.23 H new ATOM 0 HA LYS A 65 -6.190 -5.288 -6.830 1.00 74.33 H new ATOM 0 HB2 LYS A 65 -4.552 -7.766 -6.112 1.00 62.32 H new ATOM 0 HB3 LYS A 65 -5.587 -6.874 -5.015 1.00 62.32 H new ATOM 0 HG2 LYS A 65 -6.664 -8.179 -7.536 1.00 14.52 H new ATOM 0 HG3 LYS A 65 -6.513 -9.057 -6.027 1.00 14.52 H new ATOM 0 HD2 LYS A 65 -8.013 -6.423 -6.132 1.00 15.40 H new ATOM 0 HD3 LYS A 65 -8.795 -7.914 -6.618 1.00 15.40 H new ATOM 0 HE2 LYS A 65 -9.371 -7.692 -4.339 1.00 31.40 H new ATOM 0 HE3 LYS A 65 -8.077 -8.874 -4.332 1.00 31.40 H new ATOM 0 HZ1 LYS A 65 -8.056 -6.903 -2.674 1.00 1.54 H new ATOM 0 HZ2 LYS A 65 -6.605 -7.406 -3.399 1.00 1.54 H new ATOM 0 HZ3 LYS A 65 -7.410 -6.028 -3.977 1.00 1.54 H new ATOM 1016 N CYS A 66 -2.945 -5.335 -7.094 1.00 44.41 N ATOM 1017 CA CYS A 66 -1.697 -4.630 -6.768 1.00 71.11 C ATOM 1018 C CYS A 66 -1.492 -3.400 -7.665 1.00 45.04 C ATOM 1019 O CYS A 66 -1.071 -2.337 -7.200 1.00 32.41 O ATOM 1020 CB CYS A 66 -0.504 -5.579 -6.926 1.00 14.43 C ATOM 1021 SG CYS A 66 1.114 -4.776 -6.808 1.00 21.32 S ATOM 0 H CYS A 66 -2.856 -6.001 -7.861 1.00 44.41 H new ATOM 0 HA CYS A 66 -1.769 -4.291 -5.735 1.00 71.11 H new ATOM 0 HB2 CYS A 66 -0.568 -6.353 -6.161 1.00 14.43 H new ATOM 0 HB3 CYS A 66 -0.578 -6.078 -7.892 1.00 14.43 H new ATOM 0 HG CYS A 66 1.675 -4.755 -7.981 1.00 21.32 H new ATOM 1027 N GLN A 67 -1.787 -3.557 -8.954 1.00 31.41 N ATOM 1028 CA GLN A 67 -1.610 -2.483 -9.941 1.00 3.42 C ATOM 1029 C GLN A 67 -2.490 -1.262 -9.624 1.00 34.35 C ATOM 1030 O GLN A 67 -2.041 -0.116 -9.732 1.00 33.51 O ATOM 1031 CB GLN A 67 -1.919 -3.012 -11.349 1.00 24.44 C ATOM 1032 CG GLN A 67 -1.045 -4.193 -11.761 1.00 32.31 C ATOM 1033 CD GLN A 67 -1.409 -4.755 -13.125 1.00 15.45 C ATOM 1034 OE1 GLN A 67 -2.553 -4.677 -13.558 1.00 71.02 O ATOM 1035 NE2 GLN A 67 -0.445 -5.338 -13.805 1.00 63.05 N ATOM 0 H GLN A 67 -2.153 -4.424 -9.346 1.00 31.41 H new ATOM 0 HA GLN A 67 -0.571 -2.156 -9.896 1.00 3.42 H new ATOM 0 HB2 GLN A 67 -2.966 -3.312 -11.394 1.00 24.44 H new ATOM 0 HB3 GLN A 67 -1.787 -2.204 -12.069 1.00 24.44 H new ATOM 0 HG2 GLN A 67 -0.001 -3.879 -11.770 1.00 32.31 H new ATOM 0 HG3 GLN A 67 -1.134 -4.982 -11.014 1.00 32.31 H new ATOM 0 HE21 GLN A 67 0.497 -5.386 -13.416 1.00 63.05 H new ATOM 0 HE22 GLN A 67 -0.639 -5.742 -14.721 1.00 63.05 H new ATOM 1044 N GLU A 68 -3.741 -1.511 -9.233 1.00 42.14 N ATOM 1045 CA GLU A 68 -4.655 -0.436 -8.824 1.00 51.31 C ATOM 1046 C GLU A 68 -4.098 0.337 -7.615 1.00 53.33 C ATOM 1047 O GLU A 68 -4.198 1.564 -7.545 1.00 53.43 O ATOM 1048 CB GLU A 68 -6.041 -1.012 -8.493 1.00 61.31 C ATOM 1049 CG GLU A 68 -6.767 -1.620 -9.692 1.00 32.44 C ATOM 1050 CD GLU A 68 -7.167 -0.588 -10.738 1.00 31.41 C ATOM 1051 OE1 GLU A 68 -6.342 -0.272 -11.623 1.00 1.13 O ATOM 1052 OE2 GLU A 68 -8.314 -0.089 -10.681 1.00 41.44 O ATOM 0 H GLU A 68 -4.147 -2.446 -9.190 1.00 42.14 H new ATOM 0 HA GLU A 68 -4.750 0.261 -9.657 1.00 51.31 H new ATOM 0 HB2 GLU A 68 -5.931 -1.776 -7.723 1.00 61.31 H new ATOM 0 HB3 GLU A 68 -6.660 -0.221 -8.070 1.00 61.31 H new ATOM 0 HG2 GLU A 68 -6.125 -2.368 -10.156 1.00 32.44 H new ATOM 0 HG3 GLU A 68 -7.660 -2.139 -9.343 1.00 32.44 H new ATOM 1059 N PHE A 69 -3.496 -0.388 -6.671 1.00 12.41 N ATOM 1060 CA PHE A 69 -2.876 0.237 -5.500 1.00 21.43 C ATOM 1061 C PHE A 69 -1.667 1.092 -5.915 1.00 52.31 C ATOM 1062 O PHE A 69 -1.484 2.201 -5.419 1.00 63.25 O ATOM 1063 CB PHE A 69 -2.445 -0.828 -4.484 1.00 75.24 C ATOM 1064 CG PHE A 69 -1.926 -0.249 -3.191 1.00 12.33 C ATOM 1065 CD1 PHE A 69 -2.806 0.232 -2.230 1.00 34.24 C ATOM 1066 CD2 PHE A 69 -0.562 -0.176 -2.939 1.00 13.34 C ATOM 1067 CE1 PHE A 69 -2.337 0.770 -1.048 1.00 75.52 C ATOM 1068 CE2 PHE A 69 -0.090 0.365 -1.757 1.00 21.41 C ATOM 1069 CZ PHE A 69 -0.979 0.838 -0.811 1.00 23.45 C ATOM 0 H PHE A 69 -3.424 -1.405 -6.693 1.00 12.41 H new ATOM 0 HA PHE A 69 -3.616 0.886 -5.033 1.00 21.43 H new ATOM 0 HB2 PHE A 69 -3.293 -1.477 -4.268 1.00 75.24 H new ATOM 0 HB3 PHE A 69 -1.671 -1.453 -4.930 1.00 75.24 H new ATOM 0 HD1 PHE A 69 -3.870 0.185 -2.409 1.00 34.24 H new ATOM 0 HD2 PHE A 69 0.138 -0.546 -3.674 1.00 13.34 H new ATOM 0 HE1 PHE A 69 -3.033 1.138 -0.309 1.00 75.52 H new ATOM 0 HE2 PHE A 69 0.973 0.418 -1.573 1.00 21.41 H new ATOM 0 HZ PHE A 69 -0.612 1.260 0.113 1.00 23.45 H new ATOM 1079 N GLY A 70 -0.851 0.566 -6.829 1.00 50.35 N ATOM 1080 CA GLY A 70 0.284 1.327 -7.354 1.00 14.02 C ATOM 1081 C GLY A 70 -0.151 2.621 -8.042 1.00 10.53 C ATOM 1082 O GLY A 70 0.489 3.666 -7.894 1.00 24.14 O ATOM 0 H GLY A 70 -0.952 -0.372 -7.217 1.00 50.35 H new ATOM 0 HA2 GLY A 70 0.967 1.564 -6.539 1.00 14.02 H new ATOM 0 HA3 GLY A 70 0.836 0.709 -8.063 1.00 14.02 H new ATOM 1086 N ARG A 71 -1.248 2.541 -8.794 1.00 31.54 N ATOM 1087 CA ARG A 71 -1.857 3.719 -9.420 1.00 73.15 C ATOM 1088 C ARG A 71 -2.264 4.755 -8.358 1.00 2.55 C ATOM 1089 O ARG A 71 -1.970 5.947 -8.485 1.00 41.31 O ATOM 1090 CB ARG A 71 -3.083 3.294 -10.244 1.00 74.15 C ATOM 1091 CG ARG A 71 -3.861 4.459 -10.851 1.00 70.11 C ATOM 1092 CD ARG A 71 -5.067 3.979 -11.651 1.00 35.53 C ATOM 1093 NE ARG A 71 -5.875 5.096 -12.135 1.00 4.42 N ATOM 1094 CZ ARG A 71 -5.882 5.526 -13.367 1.00 40.04 C ATOM 1095 NH1 ARG A 71 -5.161 4.951 -14.279 1.00 35.50 N ATOM 1096 NH2 ARG A 71 -6.630 6.529 -13.683 1.00 11.52 N ATOM 0 H ARG A 71 -1.738 1.667 -8.987 1.00 31.54 H new ATOM 0 HA ARG A 71 -1.122 4.180 -10.080 1.00 73.15 H new ATOM 0 HB2 ARG A 71 -2.756 2.632 -11.046 1.00 74.15 H new ATOM 0 HB3 ARG A 71 -3.753 2.716 -9.607 1.00 74.15 H new ATOM 0 HG2 ARG A 71 -4.194 5.127 -10.057 1.00 70.11 H new ATOM 0 HG3 ARG A 71 -3.202 5.038 -11.498 1.00 70.11 H new ATOM 0 HD2 ARG A 71 -4.728 3.382 -12.497 1.00 35.53 H new ATOM 0 HD3 ARG A 71 -5.681 3.329 -11.028 1.00 35.53 H new ATOM 0 HE ARG A 71 -6.476 5.573 -11.463 1.00 4.42 H new ATOM 0 HH11 ARG A 71 -4.577 4.150 -14.038 1.00 35.50 H new ATOM 0 HH12 ARG A 71 -5.178 5.300 -15.237 1.00 35.50 H new ATOM 0 HH21 ARG A 71 -7.208 6.978 -12.973 1.00 11.52 H new ATOM 0 HH22 ARG A 71 -6.643 6.873 -14.643 1.00 11.52 H new ATOM 1110 N TRP A 72 -2.936 4.288 -7.307 1.00 62.12 N ATOM 1111 CA TRP A 72 -3.350 5.158 -6.199 1.00 21.31 C ATOM 1112 C TRP A 72 -2.136 5.754 -5.469 1.00 20.42 C ATOM 1113 O TRP A 72 -2.116 6.942 -5.155 1.00 3.12 O ATOM 1114 CB TRP A 72 -4.223 4.378 -5.209 1.00 64.14 C ATOM 1115 CG TRP A 72 -4.682 5.202 -4.043 1.00 24.02 C ATOM 1116 CD1 TRP A 72 -5.650 6.164 -4.049 1.00 35.53 C ATOM 1117 CD2 TRP A 72 -4.184 5.141 -2.700 1.00 53.10 C ATOM 1118 NE1 TRP A 72 -5.792 6.696 -2.795 1.00 74.43 N ATOM 1119 CE2 TRP A 72 -4.905 6.089 -1.949 1.00 35.31 C ATOM 1120 CE3 TRP A 72 -3.207 4.375 -2.059 1.00 44.21 C ATOM 1121 CZ2 TRP A 72 -4.677 6.293 -0.594 1.00 1.12 C ATOM 1122 CZ3 TRP A 72 -2.980 4.579 -0.712 1.00 34.11 C ATOM 1123 CH2 TRP A 72 -3.715 5.531 0.010 1.00 35.54 C ATOM 0 H TRP A 72 -3.207 3.311 -7.196 1.00 62.12 H new ATOM 0 HA TRP A 72 -3.929 5.980 -6.621 1.00 21.31 H new ATOM 0 HB2 TRP A 72 -5.095 3.987 -5.734 1.00 64.14 H new ATOM 0 HB3 TRP A 72 -3.662 3.519 -4.840 1.00 64.14 H new ATOM 0 HD1 TRP A 72 -6.221 6.462 -4.916 1.00 35.53 H new ATOM 0 HE1 TRP A 72 -6.453 7.428 -2.534 1.00 74.43 H new ATOM 0 HE3 TRP A 72 -2.640 3.637 -2.607 1.00 44.21 H new ATOM 0 HZ2 TRP A 72 -5.240 7.028 -0.037 1.00 1.12 H new ATOM 0 HZ3 TRP A 72 -2.224 3.996 -0.206 1.00 34.11 H new ATOM 0 HH2 TRP A 72 -3.517 5.665 1.063 1.00 35.54 H new ATOM 1134 N TYR A 73 -1.127 4.918 -5.216 1.00 1.02 N ATOM 1135 CA TYR A 73 0.100 5.341 -4.532 1.00 35.35 C ATOM 1136 C TYR A 73 0.694 6.606 -5.177 1.00 11.22 C ATOM 1137 O TYR A 73 1.085 7.551 -4.481 1.00 44.31 O ATOM 1138 CB TYR A 73 1.128 4.197 -4.556 1.00 54.04 C ATOM 1139 CG TYR A 73 2.410 4.489 -3.794 1.00 0.35 C ATOM 1140 CD1 TYR A 73 2.476 4.318 -2.414 1.00 41.13 C ATOM 1141 CD2 TYR A 73 3.551 4.936 -4.453 1.00 1.32 C ATOM 1142 CE1 TYR A 73 3.638 4.583 -1.715 1.00 43.31 C ATOM 1143 CE2 TYR A 73 4.717 5.200 -3.760 1.00 33.21 C ATOM 1144 CZ TYR A 73 4.754 5.024 -2.391 1.00 52.01 C ATOM 1145 OH TYR A 73 5.910 5.302 -1.696 1.00 31.33 O ATOM 0 H TYR A 73 -1.135 3.932 -5.478 1.00 1.02 H new ATOM 0 HA TYR A 73 -0.150 5.582 -3.499 1.00 35.35 H new ATOM 0 HB2 TYR A 73 0.667 3.302 -4.138 1.00 54.04 H new ATOM 0 HB3 TYR A 73 1.379 3.972 -5.593 1.00 54.04 H new ATOM 0 HD1 TYR A 73 1.603 3.972 -1.880 1.00 41.13 H new ATOM 0 HD2 TYR A 73 3.525 5.079 -5.523 1.00 1.32 H new ATOM 0 HE1 TYR A 73 3.671 4.445 -0.644 1.00 43.31 H new ATOM 0 HE2 TYR A 73 5.595 5.542 -4.287 1.00 33.21 H new ATOM 0 HH TYR A 73 6.453 4.489 -1.626 1.00 31.33 H new ATOM 1155 N LYS A 74 0.751 6.625 -6.508 1.00 41.10 N ATOM 1156 CA LYS A 74 1.247 7.796 -7.233 1.00 64.33 C ATOM 1157 C LYS A 74 0.219 8.941 -7.229 1.00 11.21 C ATOM 1158 O LYS A 74 0.585 10.103 -7.090 1.00 3.40 O ATOM 1159 CB LYS A 74 1.639 7.430 -8.672 1.00 12.11 C ATOM 1160 CG LYS A 74 2.104 8.633 -9.493 1.00 4.11 C ATOM 1161 CD LYS A 74 2.799 8.227 -10.789 1.00 40.51 C ATOM 1162 CE LYS A 74 4.084 7.449 -10.523 1.00 25.33 C ATOM 1163 NZ LYS A 74 4.895 7.284 -11.756 1.00 53.53 N ATOM 0 H LYS A 74 0.462 5.849 -7.104 1.00 41.10 H new ATOM 0 HA LYS A 74 2.139 8.145 -6.712 1.00 64.33 H new ATOM 0 HB2 LYS A 74 2.435 6.686 -8.647 1.00 12.11 H new ATOM 0 HB3 LYS A 74 0.786 6.968 -9.168 1.00 12.11 H new ATOM 0 HG2 LYS A 74 1.245 9.262 -9.728 1.00 4.11 H new ATOM 0 HG3 LYS A 74 2.786 9.236 -8.893 1.00 4.11 H new ATOM 0 HD2 LYS A 74 2.123 7.618 -11.389 1.00 40.51 H new ATOM 0 HD3 LYS A 74 3.028 9.118 -11.373 1.00 40.51 H new ATOM 0 HE2 LYS A 74 4.673 7.968 -9.767 1.00 25.33 H new ATOM 0 HE3 LYS A 74 3.837 6.468 -10.116 1.00 25.33 H new ATOM 0 HZ1 LYS A 74 5.593 6.527 -11.613 1.00 53.53 H new ATOM 0 HZ2 LYS A 74 4.272 7.035 -12.551 1.00 53.53 H new ATOM 0 HZ3 LYS A 74 5.389 8.174 -11.969 1.00 53.53 H new ATOM 1177 N HIS A 75 -1.067 8.611 -7.367 1.00 42.32 N ATOM 1178 CA HIS A 75 -2.127 9.633 -7.315 1.00 43.42 C ATOM 1179 C HIS A 75 -2.268 10.236 -5.905 1.00 13.12 C ATOM 1180 O HIS A 75 -2.882 11.289 -5.729 1.00 15.41 O ATOM 1181 CB HIS A 75 -3.468 9.052 -7.792 1.00 22.43 C ATOM 1182 CG HIS A 75 -3.587 8.969 -9.287 1.00 23.23 C ATOM 1183 ND1 HIS A 75 -4.541 9.657 -10.001 1.00 21.24 N ATOM 1184 CD2 HIS A 75 -2.866 8.279 -10.203 1.00 24.41 C ATOM 1185 CE1 HIS A 75 -4.403 9.400 -11.284 1.00 25.33 C ATOM 1186 NE2 HIS A 75 -3.394 8.567 -11.438 1.00 45.11 N ATOM 0 H HIS A 75 -1.402 7.659 -7.514 1.00 42.32 H new ATOM 0 HA HIS A 75 -1.838 10.438 -7.990 1.00 43.42 H new ATOM 0 HB2 HIS A 75 -3.594 8.055 -7.370 1.00 22.43 H new ATOM 0 HB3 HIS A 75 -4.280 9.667 -7.404 1.00 22.43 H new ATOM 0 HD2 HIS A 75 -2.031 7.624 -10.000 1.00 24.41 H new ATOM 0 HE1 HIS A 75 -5.014 9.804 -12.078 1.00 25.33 H new ATOM 0 HE2 HIS A 75 -3.060 8.197 -12.328 1.00 45.11 H new ATOM 1195 N PHE A 76 -1.696 9.564 -4.909 1.00 73.13 N ATOM 1196 CA PHE A 76 -1.682 10.071 -3.535 1.00 21.12 C ATOM 1197 C PHE A 76 -0.532 11.078 -3.331 1.00 31.00 C ATOM 1198 O PHE A 76 -0.757 12.219 -2.918 1.00 12.34 O ATOM 1199 CB PHE A 76 -1.551 8.903 -2.544 1.00 52.31 C ATOM 1200 CG PHE A 76 -1.618 9.317 -1.093 1.00 5.35 C ATOM 1201 CD1 PHE A 76 -2.835 9.623 -0.503 1.00 3.30 C ATOM 1202 CD2 PHE A 76 -0.466 9.394 -0.322 1.00 2.32 C ATOM 1203 CE1 PHE A 76 -2.904 9.999 0.825 1.00 3.11 C ATOM 1204 CE2 PHE A 76 -0.529 9.770 1.007 1.00 73.42 C ATOM 1205 CZ PHE A 76 -1.749 10.073 1.581 1.00 13.45 C ATOM 0 H PHE A 76 -1.233 8.663 -5.027 1.00 73.13 H new ATOM 0 HA PHE A 76 -2.623 10.590 -3.350 1.00 21.12 H new ATOM 0 HB2 PHE A 76 -2.344 8.181 -2.742 1.00 52.31 H new ATOM 0 HB3 PHE A 76 -0.604 8.393 -2.722 1.00 52.31 H new ATOM 0 HD1 PHE A 76 -3.741 9.567 -1.089 1.00 3.30 H new ATOM 0 HD2 PHE A 76 0.490 9.158 -0.765 1.00 2.32 H new ATOM 0 HE1 PHE A 76 -3.859 10.235 1.272 1.00 3.11 H new ATOM 0 HE2 PHE A 76 0.374 9.827 1.596 1.00 73.42 H new ATOM 0 HZ PHE A 76 -1.800 10.367 2.619 1.00 13.45 H new ATOM 1215 N LYS A 77 0.700 10.650 -3.621 1.00 10.35 N ATOM 1216 CA LYS A 77 1.879 11.511 -3.438 1.00 63.33 C ATOM 1217 C LYS A 77 2.244 12.289 -4.715 1.00 71.12 C ATOM 1218 O LYS A 77 2.404 13.511 -4.680 1.00 64.32 O ATOM 1219 CB LYS A 77 3.092 10.683 -2.990 1.00 64.15 C ATOM 1220 CG LYS A 77 2.915 9.986 -1.644 1.00 74.11 C ATOM 1221 CD LYS A 77 4.242 9.427 -1.121 1.00 54.24 C ATOM 1222 CE LYS A 77 4.863 8.410 -2.076 1.00 31.54 C ATOM 1223 NZ LYS A 77 6.209 7.965 -1.618 1.00 43.44 N ATOM 0 H LYS A 77 0.910 9.719 -3.981 1.00 10.35 H new ATOM 0 HA LYS A 77 1.616 12.233 -2.665 1.00 63.33 H new ATOM 0 HB2 LYS A 77 3.304 9.931 -3.750 1.00 64.15 H new ATOM 0 HB3 LYS A 77 3.963 11.336 -2.936 1.00 64.15 H new ATOM 0 HG2 LYS A 77 2.505 10.690 -0.920 1.00 74.11 H new ATOM 0 HG3 LYS A 77 2.193 9.176 -1.745 1.00 74.11 H new ATOM 0 HD2 LYS A 77 4.942 10.248 -0.964 1.00 54.24 H new ATOM 0 HD3 LYS A 77 4.078 8.957 -0.151 1.00 54.24 H new ATOM 0 HE2 LYS A 77 4.205 7.545 -2.163 1.00 31.54 H new ATOM 0 HE3 LYS A 77 4.945 8.849 -3.070 1.00 31.54 H new ATOM 0 HZ1 LYS A 77 6.379 6.989 -1.935 1.00 43.44 H new ATOM 0 HZ2 LYS A 77 6.937 8.591 -2.019 1.00 43.44 H new ATOM 0 HZ3 LYS A 77 6.253 8.004 -0.580 1.00 43.44 H new ATOM 1237 N LYS A 78 2.367 11.573 -5.835 1.00 33.52 N ATOM 1238 CA LYS A 78 2.887 12.143 -7.089 1.00 33.12 C ATOM 1239 C LYS A 78 4.283 12.751 -6.873 1.00 42.43 C ATOM 1240 O LYS A 78 4.420 13.919 -6.499 1.00 2.51 O ATOM 1241 CB LYS A 78 1.914 13.186 -7.672 1.00 44.23 C ATOM 1242 CG LYS A 78 2.368 13.775 -9.008 1.00 21.31 C ATOM 1243 CD LYS A 78 1.292 14.659 -9.647 1.00 35.45 C ATOM 1244 CE LYS A 78 0.944 15.870 -8.785 1.00 24.43 C ATOM 1245 NZ LYS A 78 2.091 16.801 -8.622 1.00 62.42 N ATOM 0 H LYS A 78 2.112 10.588 -5.903 1.00 33.52 H new ATOM 0 HA LYS A 78 2.978 11.334 -7.814 1.00 33.12 H new ATOM 0 HB2 LYS A 78 0.936 12.723 -7.803 1.00 44.23 H new ATOM 0 HB3 LYS A 78 1.790 13.995 -6.952 1.00 44.23 H new ATOM 0 HG2 LYS A 78 3.274 14.362 -8.855 1.00 21.31 H new ATOM 0 HG3 LYS A 78 2.624 12.966 -9.692 1.00 21.31 H new ATOM 0 HD2 LYS A 78 1.638 14.999 -10.623 1.00 35.45 H new ATOM 0 HD3 LYS A 78 0.393 14.067 -9.816 1.00 35.45 H new ATOM 0 HE2 LYS A 78 0.108 16.404 -9.236 1.00 24.43 H new ATOM 0 HE3 LYS A 78 0.614 15.530 -7.803 1.00 24.43 H new ATOM 0 HZ1 LYS A 78 1.773 17.661 -8.131 1.00 62.42 H new ATOM 0 HZ2 LYS A 78 2.837 16.339 -8.063 1.00 62.42 H new ATOM 0 HZ3 LYS A 78 2.467 17.056 -9.558 1.00 62.42 H new ATOM 1259 N THR A 79 5.316 11.947 -7.099 1.00 3.34 N ATOM 1260 CA THR A 79 6.694 12.351 -6.798 1.00 44.20 C ATOM 1261 C THR A 79 7.354 13.019 -8.009 1.00 64.21 C ATOM 1262 O THR A 79 8.036 12.364 -8.799 1.00 33.41 O ATOM 1263 CB THR A 79 7.547 11.137 -6.340 1.00 44.24 C ATOM 1264 OG1 THR A 79 6.889 10.458 -5.253 1.00 55.13 O ATOM 1265 CG2 THR A 79 8.942 11.574 -5.891 1.00 5.02 C ATOM 0 H THR A 79 5.230 11.009 -7.490 1.00 3.34 H new ATOM 0 HA THR A 79 6.647 13.074 -5.983 1.00 44.20 H new ATOM 0 HB THR A 79 7.653 10.464 -7.191 1.00 44.24 H new ATOM 0 HG1 THR A 79 7.431 9.692 -4.970 1.00 55.13 H new ATOM 0 HG21 THR A 79 9.513 10.701 -5.577 1.00 5.02 H new ATOM 0 HG22 THR A 79 9.454 12.064 -6.719 1.00 5.02 H new ATOM 0 HG23 THR A 79 8.854 12.270 -5.056 1.00 5.02 H new ATOM 1273 N LYS A 80 7.101 14.320 -8.172 1.00 43.24 N ATOM 1274 CA LYS A 80 7.687 15.109 -9.268 1.00 73.11 C ATOM 1275 C LYS A 80 7.134 14.684 -10.651 1.00 12.20 C ATOM 1276 O LYS A 80 7.456 15.294 -11.675 1.00 13.14 O ATOM 1277 CB LYS A 80 9.226 14.993 -9.227 1.00 0.31 C ATOM 1278 CG LYS A 80 9.952 15.850 -10.255 1.00 42.45 C ATOM 1279 CD LYS A 80 11.464 15.774 -10.084 1.00 62.44 C ATOM 1280 CE LYS A 80 12.190 16.610 -11.126 1.00 44.10 C ATOM 1281 NZ LYS A 80 11.787 18.040 -11.079 1.00 60.12 N ATOM 0 H LYS A 80 6.490 14.856 -7.556 1.00 43.24 H new ATOM 0 HA LYS A 80 7.402 16.151 -9.125 1.00 73.11 H new ATOM 0 HB2 LYS A 80 9.572 15.271 -8.232 1.00 0.31 H new ATOM 0 HB3 LYS A 80 9.503 13.950 -9.381 1.00 0.31 H new ATOM 0 HG2 LYS A 80 9.682 15.521 -11.259 1.00 42.45 H new ATOM 0 HG3 LYS A 80 9.627 16.886 -10.160 1.00 42.45 H new ATOM 0 HD2 LYS A 80 11.735 16.120 -9.087 1.00 62.44 H new ATOM 0 HD3 LYS A 80 11.787 14.736 -10.161 1.00 62.44 H new ATOM 0 HE2 LYS A 80 13.265 16.532 -10.967 1.00 44.10 H new ATOM 0 HE3 LYS A 80 11.985 16.209 -12.119 1.00 44.10 H new ATOM 0 HZ1 LYS A 80 12.442 18.605 -11.656 1.00 60.12 H new ATOM 0 HZ2 LYS A 80 10.822 18.141 -11.453 1.00 60.12 H new ATOM 0 HZ3 LYS A 80 11.815 18.376 -10.095 1.00 60.12 H new ATOM 1295 N ASP A 81 6.278 13.658 -10.670 1.00 72.43 N ATOM 1296 CA ASP A 81 5.696 13.136 -11.913 1.00 63.13 C ATOM 1297 C ASP A 81 4.932 14.218 -12.701 1.00 34.41 C ATOM 1298 O ASP A 81 4.034 14.878 -12.172 1.00 45.44 O ATOM 1299 CB ASP A 81 4.749 11.970 -11.600 1.00 34.30 C ATOM 1300 CG ASP A 81 5.460 10.793 -10.952 1.00 54.33 C ATOM 1301 OD1 ASP A 81 5.563 10.762 -9.709 1.00 24.04 O ATOM 1302 OD2 ASP A 81 5.913 9.889 -11.690 1.00 34.44 O ATOM 0 H ASP A 81 5.970 13.168 -9.831 1.00 72.43 H new ATOM 0 HA ASP A 81 6.523 12.793 -12.535 1.00 63.13 H new ATOM 0 HB2 ASP A 81 3.956 12.319 -10.938 1.00 34.30 H new ATOM 0 HB3 ASP A 81 4.272 11.638 -12.522 1.00 34.30 H new ATOM 1307 N MET A 82 5.313 14.404 -13.964 1.00 32.32 N ATOM 1308 CA MET A 82 4.587 15.293 -14.880 1.00 52.01 C ATOM 1309 C MET A 82 4.033 14.497 -16.072 1.00 33.32 C ATOM 1310 O MET A 82 4.762 14.173 -17.012 1.00 61.21 O ATOM 1311 CB MET A 82 5.505 16.426 -15.371 1.00 70.02 C ATOM 1312 CG MET A 82 6.062 17.289 -14.248 1.00 42.52 C ATOM 1313 SD MET A 82 7.095 18.644 -14.851 1.00 41.40 S ATOM 1314 CE MET A 82 5.913 19.581 -15.821 1.00 13.15 C ATOM 0 H MET A 82 6.125 13.949 -14.381 1.00 32.32 H new ATOM 0 HA MET A 82 3.750 15.736 -14.340 1.00 52.01 H new ATOM 0 HB2 MET A 82 6.334 15.994 -15.931 1.00 70.02 H new ATOM 0 HB3 MET A 82 4.949 17.059 -16.063 1.00 70.02 H new ATOM 0 HG2 MET A 82 5.236 17.699 -13.667 1.00 42.52 H new ATOM 0 HG3 MET A 82 6.647 16.665 -13.573 1.00 42.52 H new ATOM 0 HE1 MET A 82 6.280 20.598 -15.958 1.00 13.15 H new ATOM 0 HE2 MET A 82 5.784 19.107 -16.794 1.00 13.15 H new ATOM 0 HE3 MET A 82 4.955 19.608 -15.301 1.00 13.15 H new ATOM 1324 N MET A 83 2.745 14.160 -16.013 1.00 54.35 N ATOM 1325 CA MET A 83 2.105 13.343 -17.056 1.00 51.42 C ATOM 1326 C MET A 83 1.795 14.157 -18.338 1.00 75.31 C ATOM 1327 O MET A 83 0.754 14.848 -18.391 1.00 37.35 O ATOM 1328 CB MET A 83 0.836 12.654 -16.503 1.00 23.21 C ATOM 1329 CG MET A 83 -0.179 13.588 -15.841 1.00 71.21 C ATOM 1330 SD MET A 83 0.456 14.402 -14.357 1.00 24.25 S ATOM 1331 CE MET A 83 -0.989 15.322 -13.824 1.00 12.40 C ATOM 1332 OXT MET A 83 2.602 14.092 -19.296 1.00 37.35 O ATOM 0 H MET A 83 2.120 14.438 -15.256 1.00 54.35 H new ATOM 0 HA MET A 83 2.817 12.571 -17.347 1.00 51.42 H new ATOM 0 HB2 MET A 83 0.342 12.129 -17.320 1.00 23.21 H new ATOM 0 HB3 MET A 83 1.139 11.900 -15.776 1.00 23.21 H new ATOM 0 HG2 MET A 83 -0.486 14.348 -16.560 1.00 71.21 H new ATOM 0 HG3 MET A 83 -1.070 13.018 -15.580 1.00 71.21 H new ATOM 0 HE1 MET A 83 -0.753 15.877 -12.916 1.00 12.40 H new ATOM 0 HE2 MET A 83 -1.286 16.018 -14.608 1.00 12.40 H new ATOM 0 HE3 MET A 83 -1.807 14.630 -13.624 1.00 12.40 H new TER 1342 MET A 83