USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 864 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 500 HECFE :(H bumps) USER MOD NoAdj-H: A 500 HEC HAC : A 500 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 500 HEC HAB : A 500 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 500 HEC H2D : A 500 HEC O2D : A 500 HEC CGD :(short bond) USER MOD Set 1.1: A 67 TYR OH : rot 165:sc= -0.0015 USER MOD Set 1.2: A 80 MET CE :methyl 138:sc= -4.63 (180deg=-9.85!) USER MOD Set 2.1: A 46 TYR OH : rot 140:sc= 0.363 USER MOD Set 2.2: A 79 LYS NZ :NH3+ -153:sc= 0.233 (180deg=0) USER MOD Set 3.1: A 19 THR OG1 : rot -129:sc= -0.0546 USER MOD Set 3.2: A 31 ASN : amide:sc= -0.09 K(o=-0.14,f=-4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0.0134 (180deg=0.0134) USER MOD Single : A 7 LYS NZ :NH3+ 138:sc= -0.027 (180deg=-1.13) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -174:sc= 0 (180deg=-0.0261) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc=-0.00664 USER MOD Single : A 16 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.076) USER MOD Single : A 22 LYS NZ :NH3+ -172:sc= 0.00566 (180deg=-0.0058) USER MOD Single : A 25 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.288) USER MOD Single : A 26 HIS : no HD1:sc= -4.87 K(o=-4.9,f=-6.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 90:sc= -2.06! USER MOD Single : A 33 HIS : no HD1:sc= -2.07 K(o=-2.1,f=-3.5!) USER MOD Single : A 39 LYS NZ :NH3+ -130:sc= -0.122 (180deg=-2.51!) USER MOD Single : A 40 THR OG1 : rot 80:sc= 0.808 USER MOD Single : A 42 GLN : amide:sc= 0.333 K(o=0.33,f=-0.2) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -1 USER MOD Single : A 49 THR OG1 : rot -98:sc= 0.483 USER MOD Single : A 52 ASN : amide:sc= -1.94 X(o=-1.9,f=-2.3) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -3.74 K(o=-3.7,f=-5.5!) USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 0.175 (180deg=0.174) USER MOD Single : A 63 THR OG1 : rot 18:sc= 0.632 USER MOD Single : A 65 MET CE :methyl -110:sc= -1.05 (180deg=-1.99!) USER MOD Single : A 70 ASN : amide:sc= -3.55! C(o=-3.6!,f=-3.4!) USER MOD Single : A 72 LYS NZ :NH3+ -137:sc= 0 (180deg=-1.53!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc=-0.00178 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.551 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0812) USER MOD Single : A 88 LYS NZ :NH3+ -150:sc= -0.42 (180deg=-1.56!) USER MOD Single : A 97 TYR OH : rot -164:sc= 0.246 USER MOD Single : A 99 LYS NZ :NH3+ -160:sc= -0.0722 (180deg=-0.377) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -101:sc= 0.0632 USER MOD Single : A 103 ASN : amide:sc=-0.00965 X(o=-0.0096,f=0) USER MOD Single : A 500 HEC O2A : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.912 0.345 -0.397 1.00 24.45 N ATOM 2 CA GLY A 1 2.031 0.024 -1.267 1.00 4.32 C ATOM 3 C GLY A 1 1.822 -1.328 -1.952 1.00 34.12 C ATOM 4 O GLY A 1 2.275 -2.357 -1.453 1.00 52.20 O ATOM 0 H1 GLY A 1 1.078 1.266 0.056 1.00 24.45 H new ATOM 0 H2 GLY A 1 0.037 0.387 -0.958 1.00 24.45 H new ATOM 0 H3 GLY A 1 0.819 -0.389 0.334 1.00 24.45 H new ATOM 0 HA2 GLY A 1 2.146 0.803 -2.020 1.00 4.32 H new ATOM 0 HA3 GLY A 1 2.953 0.003 -0.687 1.00 4.32 H new ATOM 8 N ASP A 2 1.137 -1.282 -3.085 1.00 42.55 N ATOM 9 CA ASP A 2 0.863 -2.491 -3.844 1.00 3.31 C ATOM 10 C ASP A 2 2.172 -3.246 -4.081 1.00 4.41 C ATOM 11 O ASP A 2 3.255 -2.685 -3.920 1.00 51.34 O ATOM 12 CB ASP A 2 0.254 -2.159 -5.207 1.00 52.41 C ATOM 13 CG ASP A 2 -1.162 -1.581 -5.159 1.00 63.04 C ATOM 14 OD1 ASP A 2 -1.923 -1.675 -6.133 1.00 4.01 O ATOM 15 OD2 ASP A 2 -1.479 -1.006 -4.050 1.00 63.42 O1- ATOM 0 H ASP A 2 0.763 -0.427 -3.496 1.00 42.55 H new ATOM 0 HA ASP A 2 0.159 -3.096 -3.273 1.00 3.31 H new ATOM 0 HB2 ASP A 2 0.904 -1.446 -5.715 1.00 52.41 H new ATOM 0 HB3 ASP A 2 0.240 -3.065 -5.812 1.00 52.41 H new ATOM 21 N VAL A 3 2.030 -4.507 -4.460 1.00 75.13 N ATOM 22 CA VAL A 3 3.188 -5.345 -4.722 1.00 75.34 C ATOM 23 C VAL A 3 3.215 -5.720 -6.206 1.00 13.43 C ATOM 24 O VAL A 3 4.230 -5.536 -6.876 1.00 74.44 O ATOM 25 CB VAL A 3 3.172 -6.564 -3.797 1.00 52.14 C ATOM 26 CG1 VAL A 3 3.949 -6.285 -2.509 1.00 34.45 C ATOM 27 CG2 VAL A 3 1.737 -6.999 -3.488 1.00 44.44 C ATOM 0 H VAL A 3 1.130 -4.969 -4.592 1.00 75.13 H new ATOM 0 HA VAL A 3 4.109 -4.803 -4.507 1.00 75.34 H new ATOM 0 HB VAL A 3 3.667 -7.385 -4.316 1.00 52.14 H new ATOM 0 HG11 VAL A 3 3.922 -7.167 -1.869 1.00 34.45 H new ATOM 0 HG12 VAL A 3 4.984 -6.045 -2.753 1.00 34.45 H new ATOM 0 HG13 VAL A 3 3.495 -5.443 -1.986 1.00 34.45 H new ATOM 0 HG21 VAL A 3 1.754 -7.867 -2.829 1.00 44.44 H new ATOM 0 HG22 VAL A 3 1.207 -6.182 -2.999 1.00 44.44 H new ATOM 0 HG23 VAL A 3 1.227 -7.258 -4.416 1.00 44.44 H new ATOM 37 N GLU A 4 2.090 -6.240 -6.672 1.00 51.25 N ATOM 38 CA GLU A 4 1.972 -6.642 -8.063 1.00 54.55 C ATOM 39 C GLU A 4 2.654 -5.618 -8.972 1.00 41.14 C ATOM 40 O GLU A 4 3.470 -5.979 -9.819 1.00 54.03 O ATOM 41 CB GLU A 4 0.506 -6.834 -8.457 1.00 30.12 C ATOM 42 CG GLU A 4 -0.039 -8.156 -7.911 1.00 30.34 C ATOM 43 CD GLU A 4 -1.331 -8.554 -8.628 1.00 64.34 C ATOM 44 OE1 GLU A 4 -1.301 -9.393 -9.540 1.00 52.43 O ATOM 45 OE2 GLU A 4 -2.394 -7.957 -8.206 1.00 73.12 O1- ATOM 0 H GLU A 4 1.252 -6.392 -6.111 1.00 51.25 H new ATOM 0 HA GLU A 4 2.476 -7.601 -8.187 1.00 54.55 H new ATOM 0 HB2 GLU A 4 -0.089 -6.005 -8.074 1.00 30.12 H new ATOM 0 HB3 GLU A 4 0.412 -6.818 -9.543 1.00 30.12 H new ATOM 0 HG2 GLU A 4 0.707 -8.941 -8.036 1.00 30.34 H new ATOM 0 HG3 GLU A 4 -0.226 -8.062 -6.841 1.00 30.34 H new ATOM 53 N LYS A 5 2.293 -4.359 -8.766 1.00 75.51 N ATOM 54 CA LYS A 5 2.860 -3.279 -9.557 1.00 13.03 C ATOM 55 C LYS A 5 4.385 -3.399 -9.555 1.00 44.51 C ATOM 56 O LYS A 5 5.024 -3.248 -10.595 1.00 62.31 O ATOM 57 CB LYS A 5 2.347 -1.926 -9.060 1.00 32.11 C ATOM 58 CG LYS A 5 1.032 -1.553 -9.745 1.00 40.51 C ATOM 59 CD LYS A 5 -0.165 -2.137 -8.991 1.00 51.43 C ATOM 60 CE LYS A 5 -1.482 -1.712 -9.641 1.00 34.33 C ATOM 61 NZ LYS A 5 -1.907 -0.388 -9.134 1.00 61.11 N1+ ATOM 0 H LYS A 5 1.615 -4.063 -8.063 1.00 75.51 H new ATOM 0 HA LYS A 5 2.536 -3.354 -10.595 1.00 13.03 H new ATOM 0 HB2 LYS A 5 2.201 -1.963 -7.980 1.00 32.11 H new ATOM 0 HB3 LYS A 5 3.094 -1.156 -9.255 1.00 32.11 H new ATOM 0 HG2 LYS A 5 0.940 -0.468 -9.796 1.00 40.51 H new ATOM 0 HG3 LYS A 5 1.035 -1.922 -10.771 1.00 40.51 H new ATOM 0 HD2 LYS A 5 -0.096 -3.225 -8.978 1.00 51.43 H new ATOM 0 HD3 LYS A 5 -0.143 -1.804 -7.953 1.00 51.43 H new ATOM 0 HE2 LYS A 5 -1.364 -1.672 -10.724 1.00 34.33 H new ATOM 0 HE3 LYS A 5 -2.253 -2.453 -9.431 1.00 34.33 H new ATOM 0 HZ1 LYS A 5 -2.803 -0.115 -9.586 1.00 61.11 H new ATOM 0 HZ2 LYS A 5 -2.040 -0.437 -8.104 1.00 61.11 H new ATOM 0 HZ3 LYS A 5 -1.178 0.319 -9.356 1.00 61.11 H new ATOM 74 N GLY A 6 4.925 -3.666 -8.375 1.00 33.14 N ATOM 75 CA GLY A 6 6.363 -3.807 -8.224 1.00 41.25 C ATOM 76 C GLY A 6 6.831 -5.188 -8.686 1.00 61.35 C ATOM 77 O GLY A 6 8.007 -5.382 -8.987 1.00 72.04 O ATOM 0 H GLY A 6 4.392 -3.788 -7.514 1.00 33.14 H new ATOM 0 HA2 GLY A 6 6.870 -3.035 -8.803 1.00 41.25 H new ATOM 0 HA3 GLY A 6 6.639 -3.656 -7.180 1.00 41.25 H new ATOM 81 N LYS A 7 5.884 -6.115 -8.729 1.00 54.25 N ATOM 82 CA LYS A 7 6.184 -7.473 -9.149 1.00 13.43 C ATOM 83 C LYS A 7 6.341 -7.508 -10.671 1.00 11.22 C ATOM 84 O LYS A 7 6.959 -8.423 -11.213 1.00 40.24 O ATOM 85 CB LYS A 7 5.128 -8.444 -8.618 1.00 12.01 C ATOM 86 CG LYS A 7 5.584 -9.895 -8.782 1.00 61.14 C ATOM 87 CD LYS A 7 5.033 -10.774 -7.658 1.00 21.42 C ATOM 88 CE LYS A 7 3.551 -10.484 -7.413 1.00 53.44 C ATOM 89 NZ LYS A 7 2.780 -10.624 -8.668 1.00 74.43 N1+ ATOM 0 H LYS A 7 4.909 -5.952 -8.480 1.00 54.25 H new ATOM 0 HA LYS A 7 7.131 -7.803 -8.722 1.00 13.43 H new ATOM 0 HB2 LYS A 7 4.935 -8.237 -7.565 1.00 12.01 H new ATOM 0 HB3 LYS A 7 4.189 -8.292 -9.150 1.00 12.01 H new ATOM 0 HG2 LYS A 7 5.249 -10.278 -9.746 1.00 61.14 H new ATOM 0 HG3 LYS A 7 6.673 -9.940 -8.783 1.00 61.14 H new ATOM 0 HD2 LYS A 7 5.164 -11.825 -7.916 1.00 21.42 H new ATOM 0 HD3 LYS A 7 5.598 -10.597 -6.743 1.00 21.42 H new ATOM 0 HE2 LYS A 7 3.160 -11.169 -6.661 1.00 53.44 H new ATOM 0 HE3 LYS A 7 3.433 -9.475 -7.017 1.00 53.44 H new ATOM 0 HZ1 LYS A 7 1.886 -11.118 -8.473 1.00 74.43 H new ATOM 0 HZ2 LYS A 7 2.577 -9.681 -9.058 1.00 74.43 H new ATOM 0 HZ3 LYS A 7 3.334 -11.172 -9.357 1.00 74.43 H new ATOM 102 N LYS A 8 5.771 -6.502 -11.316 1.00 45.33 N ATOM 103 CA LYS A 8 5.840 -6.406 -12.764 1.00 12.01 C ATOM 104 C LYS A 8 7.086 -5.610 -13.159 1.00 54.24 C ATOM 105 O LYS A 8 7.655 -5.832 -14.227 1.00 40.24 O ATOM 106 CB LYS A 8 4.539 -5.829 -13.326 1.00 14.42 C ATOM 107 CG LYS A 8 3.359 -6.762 -13.044 1.00 34.03 C ATOM 108 CD LYS A 8 3.426 -8.012 -13.925 1.00 33.34 C ATOM 109 CE LYS A 8 2.109 -8.789 -13.876 1.00 60.43 C ATOM 110 NZ LYS A 8 1.166 -8.277 -14.895 1.00 31.43 N1+ ATOM 0 H LYS A 8 5.259 -5.745 -10.862 1.00 45.33 H new ATOM 0 HA LYS A 8 5.940 -7.397 -13.207 1.00 12.01 H new ATOM 0 HB2 LYS A 8 4.349 -4.852 -12.882 1.00 14.42 H new ATOM 0 HB3 LYS A 8 4.639 -5.677 -14.401 1.00 14.42 H new ATOM 0 HG2 LYS A 8 3.363 -7.052 -11.993 1.00 34.03 H new ATOM 0 HG3 LYS A 8 2.422 -6.235 -13.225 1.00 34.03 H new ATOM 0 HD2 LYS A 8 3.645 -7.725 -14.953 1.00 33.34 H new ATOM 0 HD3 LYS A 8 4.243 -8.652 -13.592 1.00 33.34 H new ATOM 0 HE2 LYS A 8 2.299 -9.849 -14.048 1.00 60.43 H new ATOM 0 HE3 LYS A 8 1.665 -8.701 -12.884 1.00 60.43 H new ATOM 0 HZ1 LYS A 8 0.278 -8.816 -14.848 1.00 31.43 H new ATOM 0 HZ2 LYS A 8 0.971 -7.272 -14.714 1.00 31.43 H new ATOM 0 HZ3 LYS A 8 1.585 -8.383 -15.841 1.00 31.43 H new ATOM 123 N ILE A 9 7.472 -4.701 -12.277 1.00 72.22 N ATOM 124 CA ILE A 9 8.641 -3.872 -12.521 1.00 63.35 C ATOM 125 C ILE A 9 9.895 -4.617 -12.061 1.00 74.32 C ATOM 126 O ILE A 9 11.005 -4.285 -12.475 1.00 34.45 O ATOM 127 CB ILE A 9 8.468 -2.497 -11.869 1.00 33.41 C ATOM 128 CG1 ILE A 9 7.421 -1.666 -12.613 1.00 13.20 C ATOM 129 CG2 ILE A 9 9.809 -1.769 -11.762 1.00 10.42 C ATOM 130 CD1 ILE A 9 6.712 -0.699 -11.662 1.00 3.44 C ATOM 0 H ILE A 9 6.997 -4.520 -11.393 1.00 72.22 H new ATOM 0 HA ILE A 9 8.757 -3.682 -13.588 1.00 63.35 H new ATOM 0 HB ILE A 9 8.100 -2.643 -10.854 1.00 33.41 H new ATOM 0 HG12 ILE A 9 7.900 -1.106 -13.416 1.00 13.20 H new ATOM 0 HG13 ILE A 9 6.689 -2.327 -13.077 1.00 13.20 H new ATOM 0 HG21 ILE A 9 9.658 -0.795 -11.296 1.00 10.42 H new ATOM 0 HG22 ILE A 9 10.496 -2.359 -11.156 1.00 10.42 H new ATOM 0 HG23 ILE A 9 10.230 -1.633 -12.758 1.00 10.42 H new ATOM 0 HD11 ILE A 9 5.973 -0.120 -12.216 1.00 3.44 H new ATOM 0 HD12 ILE A 9 6.214 -1.264 -10.874 1.00 3.44 H new ATOM 0 HD13 ILE A 9 7.443 -0.023 -11.218 1.00 3.44 H new ATOM 142 N PHE A 10 9.676 -5.608 -11.211 1.00 22.51 N ATOM 143 CA PHE A 10 10.776 -6.405 -10.691 1.00 30.30 C ATOM 144 C PHE A 10 11.245 -7.433 -11.721 1.00 54.03 C ATOM 145 O PHE A 10 12.395 -7.867 -11.692 1.00 62.33 O ATOM 146 CB PHE A 10 10.250 -7.139 -9.456 1.00 71.01 C ATOM 147 CG PHE A 10 11.038 -8.402 -9.102 1.00 62.01 C ATOM 148 CD1 PHE A 10 12.331 -8.305 -8.693 1.00 53.24 C ATOM 149 CD2 PHE A 10 10.445 -9.623 -9.197 1.00 65.44 C ATOM 150 CE1 PHE A 10 13.062 -9.477 -8.364 1.00 45.31 C ATOM 151 CE2 PHE A 10 11.176 -10.795 -8.868 1.00 63.41 C ATOM 152 CZ PHE A 10 12.469 -10.697 -8.459 1.00 72.24 C ATOM 0 H PHE A 10 8.754 -5.878 -10.869 1.00 22.51 H new ATOM 0 HA PHE A 10 11.622 -5.761 -10.452 1.00 30.30 H new ATOM 0 HB2 PHE A 10 10.272 -6.459 -8.605 1.00 71.01 H new ATOM 0 HB3 PHE A 10 9.207 -7.408 -9.622 1.00 71.01 H new ATOM 0 HD1 PHE A 10 12.802 -7.336 -8.618 1.00 53.24 H new ATOM 0 HD2 PHE A 10 9.418 -9.701 -9.523 1.00 65.44 H new ATOM 0 HE1 PHE A 10 14.089 -9.399 -8.038 1.00 45.31 H new ATOM 0 HE2 PHE A 10 10.705 -11.764 -8.943 1.00 63.41 H new ATOM 0 HZ PHE A 10 13.025 -11.588 -8.209 1.00 72.24 H new ATOM 162 N ILE A 11 10.329 -7.794 -12.609 1.00 5.51 N ATOM 163 CA ILE A 11 10.634 -8.764 -13.647 1.00 1.20 C ATOM 164 C ILE A 11 11.353 -8.060 -14.800 1.00 50.30 C ATOM 165 O ILE A 11 12.562 -8.213 -14.968 1.00 63.10 O ATOM 166 CB ILE A 11 9.367 -9.507 -14.075 1.00 12.30 C ATOM 167 CG1 ILE A 11 8.939 -10.518 -13.009 1.00 73.50 C ATOM 168 CG2 ILE A 11 9.553 -10.162 -15.444 1.00 74.44 C ATOM 169 CD1 ILE A 11 7.561 -11.101 -13.330 1.00 31.21 C ATOM 0 H ILE A 11 9.376 -7.432 -12.631 1.00 5.51 H new ATOM 0 HA ILE A 11 11.311 -9.529 -13.267 1.00 1.20 H new ATOM 0 HB ILE A 11 8.560 -8.781 -14.173 1.00 12.30 H new ATOM 0 HG12 ILE A 11 9.673 -11.322 -12.949 1.00 73.50 H new ATOM 0 HG13 ILE A 11 8.915 -10.034 -12.032 1.00 73.50 H new ATOM 0 HG21 ILE A 11 8.638 -10.684 -15.725 1.00 74.44 H new ATOM 0 HG22 ILE A 11 9.777 -9.396 -16.186 1.00 74.44 H new ATOM 0 HG23 ILE A 11 10.377 -10.874 -15.398 1.00 74.44 H new ATOM 0 HD11 ILE A 11 7.280 -11.817 -12.557 1.00 31.21 H new ATOM 0 HD12 ILE A 11 6.825 -10.298 -13.366 1.00 31.21 H new ATOM 0 HD13 ILE A 11 7.595 -11.605 -14.296 1.00 31.21 H new ATOM 181 N MET A 12 10.580 -7.305 -15.565 1.00 24.33 N ATOM 182 CA MET A 12 11.128 -6.578 -16.697 1.00 1.20 C ATOM 183 C MET A 12 12.512 -6.015 -16.370 1.00 33.53 C ATOM 184 O MET A 12 13.352 -5.867 -17.256 1.00 42.35 O ATOM 185 CB MET A 12 10.187 -5.432 -17.072 1.00 60.40 C ATOM 186 CG MET A 12 9.158 -5.884 -18.112 1.00 23.04 C ATOM 187 SD MET A 12 9.954 -6.132 -19.690 1.00 15.25 S ATOM 188 CE MET A 12 9.973 -4.454 -20.295 1.00 65.42 C ATOM 0 H MET A 12 9.578 -7.181 -15.423 1.00 24.33 H new ATOM 0 HA MET A 12 11.226 -7.269 -17.534 1.00 1.20 H new ATOM 0 HB2 MET A 12 9.674 -5.072 -16.180 1.00 60.40 H new ATOM 0 HB3 MET A 12 10.765 -4.596 -17.467 1.00 60.40 H new ATOM 0 HG2 MET A 12 8.682 -6.809 -17.786 1.00 23.04 H new ATOM 0 HG3 MET A 12 8.371 -5.136 -18.206 1.00 23.04 H new ATOM 0 HE1 MET A 12 10.342 -4.441 -21.321 1.00 65.42 H new ATOM 0 HE2 MET A 12 8.963 -4.046 -20.268 1.00 65.42 H new ATOM 0 HE3 MET A 12 10.626 -3.848 -19.667 1.00 65.42 H new ATOM 198 N LYS A 13 12.707 -5.716 -15.094 1.00 62.15 N ATOM 199 CA LYS A 13 13.976 -5.173 -14.638 1.00 62.04 C ATOM 200 C LYS A 13 14.816 -6.295 -14.027 1.00 3.45 C ATOM 201 O LYS A 13 15.868 -6.648 -14.559 1.00 2.42 O ATOM 202 CB LYS A 13 13.744 -3.993 -13.691 1.00 42.23 C ATOM 203 CG LYS A 13 12.982 -2.868 -14.394 1.00 64.41 C ATOM 204 CD LYS A 13 12.891 -1.628 -13.503 1.00 24.41 C ATOM 205 CE LYS A 13 11.784 -0.687 -13.984 1.00 3.12 C ATOM 206 NZ LYS A 13 12.322 0.287 -14.960 1.00 43.44 N1+ ATOM 0 H LYS A 13 12.008 -5.839 -14.362 1.00 62.15 H new ATOM 0 HA LYS A 13 14.543 -4.772 -15.478 1.00 62.04 H new ATOM 0 HB2 LYS A 13 13.183 -4.327 -12.818 1.00 42.23 H new ATOM 0 HB3 LYS A 13 14.702 -3.618 -13.330 1.00 42.23 H new ATOM 0 HG2 LYS A 13 13.483 -2.613 -15.328 1.00 64.41 H new ATOM 0 HG3 LYS A 13 11.979 -3.209 -14.652 1.00 64.41 H new ATOM 0 HD2 LYS A 13 12.696 -1.929 -12.474 1.00 24.41 H new ATOM 0 HD3 LYS A 13 13.846 -1.103 -13.506 1.00 24.41 H new ATOM 0 HE2 LYS A 13 10.981 -1.264 -14.442 1.00 3.12 H new ATOM 0 HE3 LYS A 13 11.352 -0.159 -13.134 1.00 3.12 H new ATOM 0 HZ1 LYS A 13 11.559 0.918 -15.277 1.00 43.44 H new ATOM 0 HZ2 LYS A 13 13.073 0.850 -14.511 1.00 43.44 H new ATOM 0 HZ3 LYS A 13 12.713 -0.222 -15.779 1.00 43.44 H new ATOM 219 N CYS A 14 14.322 -6.826 -12.918 1.00 12.24 N ATOM 220 CA CYS A 14 15.014 -7.901 -12.229 1.00 32.54 C ATOM 221 C CYS A 14 14.464 -9.234 -12.743 1.00 32.32 C ATOM 222 O CYS A 14 13.892 -10.009 -11.979 1.00 22.25 O ATOM 223 CB CYS A 14 14.882 -7.778 -10.710 1.00 14.53 C ATOM 224 SG CYS A 14 14.545 -6.084 -10.105 1.00 23.33 S ATOM 0 H CYS A 14 13.450 -6.531 -12.479 1.00 12.24 H new ATOM 0 HA CYS A 14 16.082 -7.843 -12.441 1.00 32.54 H new ATOM 0 HB2 CYS A 14 14.080 -8.435 -10.375 1.00 14.53 H new ATOM 0 HB3 CYS A 14 15.802 -8.137 -10.249 1.00 14.53 H new ATOM 229 N SER A 15 14.656 -9.458 -14.035 1.00 63.31 N ATOM 230 CA SER A 15 14.187 -10.683 -14.660 1.00 52.21 C ATOM 231 C SER A 15 15.352 -11.658 -14.840 1.00 14.32 C ATOM 232 O SER A 15 16.500 -11.240 -14.984 1.00 24.42 O ATOM 233 CB SER A 15 13.522 -10.394 -16.007 1.00 24.11 C ATOM 234 OG SER A 15 13.730 -11.450 -16.942 1.00 62.04 O ATOM 0 H SER A 15 15.130 -8.812 -14.666 1.00 63.31 H new ATOM 0 HA SER A 15 13.441 -11.136 -14.007 1.00 52.21 H new ATOM 0 HB2 SER A 15 12.452 -10.246 -15.859 1.00 24.11 H new ATOM 0 HB3 SER A 15 13.919 -9.465 -16.415 1.00 24.11 H new ATOM 0 HG SER A 15 13.289 -11.229 -17.789 1.00 62.04 H new ATOM 240 N GLN A 16 15.017 -12.940 -14.828 1.00 3.25 N ATOM 241 CA GLN A 16 16.021 -13.978 -14.989 1.00 0.11 C ATOM 242 C GLN A 16 17.300 -13.599 -14.240 1.00 64.21 C ATOM 243 O GLN A 16 18.397 -13.977 -14.648 1.00 52.24 O ATOM 244 CB GLN A 16 16.309 -14.238 -16.468 1.00 55.01 C ATOM 245 CG GLN A 16 15.044 -14.694 -17.200 1.00 51.45 C ATOM 246 CD GLN A 16 14.810 -16.194 -17.008 1.00 65.25 C ATOM 247 OE1 GLN A 16 13.768 -16.631 -16.549 1.00 12.42 O ATOM 248 NE2 GLN A 16 15.835 -16.955 -17.382 1.00 43.12 N ATOM 0 H GLN A 16 14.064 -13.283 -14.709 1.00 3.25 H new ATOM 0 HA GLN A 16 15.632 -14.902 -14.561 1.00 0.11 H new ATOM 0 HB2 GLN A 16 16.695 -13.331 -16.932 1.00 55.01 H new ATOM 0 HB3 GLN A 16 17.083 -14.999 -16.563 1.00 55.01 H new ATOM 0 HG2 GLN A 16 14.184 -14.138 -16.828 1.00 51.45 H new ATOM 0 HG3 GLN A 16 15.134 -14.469 -18.263 1.00 51.45 H new ATOM 0 HE21 GLN A 16 16.679 -16.524 -17.759 1.00 43.12 H new ATOM 0 HE22 GLN A 16 15.777 -17.969 -17.292 1.00 43.12 H new ATOM 257 N CYS A 17 17.117 -12.858 -13.156 1.00 41.41 N ATOM 258 CA CYS A 17 18.243 -12.425 -12.347 1.00 75.41 C ATOM 259 C CYS A 17 17.914 -12.701 -10.879 1.00 51.53 C ATOM 260 O CYS A 17 18.488 -13.603 -10.269 1.00 52.44 O ATOM 261 CB CYS A 17 18.580 -10.952 -12.590 1.00 31.53 C ATOM 262 SG CYS A 17 19.770 -10.650 -13.945 1.00 22.31 S ATOM 0 H CYS A 17 16.206 -12.547 -12.820 1.00 41.41 H new ATOM 0 HA CYS A 17 19.134 -12.985 -12.629 1.00 75.41 H new ATOM 0 HB2 CYS A 17 17.658 -10.414 -12.809 1.00 31.53 H new ATOM 0 HB3 CYS A 17 18.984 -10.530 -11.670 1.00 31.53 H new ATOM 267 N HIS A 18 16.991 -11.910 -10.353 1.00 64.33 N ATOM 268 CA HIS A 18 16.578 -12.058 -8.968 1.00 50.04 C ATOM 269 C HIS A 18 15.345 -12.961 -8.894 1.00 45.23 C ATOM 270 O HIS A 18 14.592 -13.072 -9.860 1.00 13.43 O ATOM 271 CB HIS A 18 16.352 -10.691 -8.319 1.00 30.21 C ATOM 272 CG HIS A 18 17.626 -9.938 -8.015 1.00 12.01 C ATOM 273 ND1 HIS A 18 18.587 -10.413 -7.140 1.00 53.33 N ATOM 274 CD2 HIS A 18 18.085 -8.740 -8.477 1.00 63.45 C ATOM 275 CE1 HIS A 18 19.575 -9.534 -7.086 1.00 1.34 C ATOM 276 NE2 HIS A 18 19.262 -8.496 -7.915 1.00 4.41 N ATOM 0 H HIS A 18 16.517 -11.164 -10.862 1.00 64.33 H new ATOM 0 HA HIS A 18 17.372 -12.539 -8.397 1.00 50.04 H new ATOM 0 HB2 HIS A 18 15.732 -10.085 -8.979 1.00 30.21 H new ATOM 0 HB3 HIS A 18 15.793 -10.827 -7.393 1.00 30.21 H new ATOM 0 HD1 HIS A 18 18.542 -11.292 -6.624 1.00 53.33 H new ATOM 0 HD2 HIS A 18 17.577 -8.098 -9.181 1.00 63.45 H new ATOM 0 HE1 HIS A 18 20.472 -9.623 -6.490 1.00 1.34 H new ATOM 284 N THR A 19 15.175 -13.582 -7.735 1.00 3.13 N ATOM 285 CA THR A 19 14.046 -14.472 -7.522 1.00 10.30 C ATOM 286 C THR A 19 13.146 -13.933 -6.409 1.00 53.54 C ATOM 287 O THR A 19 11.925 -14.064 -6.474 1.00 63.55 O ATOM 288 CB THR A 19 14.594 -15.871 -7.237 1.00 22.40 C ATOM 289 OG1 THR A 19 15.459 -15.684 -6.120 1.00 12.31 O ATOM 290 CG2 THR A 19 15.520 -16.374 -8.345 1.00 53.02 C ATOM 0 H THR A 19 15.800 -13.486 -6.935 1.00 3.13 H new ATOM 0 HA THR A 19 13.414 -14.530 -8.409 1.00 10.30 H new ATOM 0 HB THR A 19 13.765 -16.567 -7.114 1.00 22.40 H new ATOM 0 HG1 THR A 19 16.332 -16.086 -6.311 1.00 12.31 H new ATOM 0 HG21 THR A 19 15.881 -17.371 -8.093 1.00 53.02 H new ATOM 0 HG22 THR A 19 14.972 -16.414 -9.287 1.00 53.02 H new ATOM 0 HG23 THR A 19 16.368 -15.696 -8.446 1.00 53.02 H new ATOM 298 N VAL A 20 13.784 -13.337 -5.412 1.00 23.12 N ATOM 299 CA VAL A 20 13.057 -12.777 -4.286 1.00 24.13 C ATOM 300 C VAL A 20 12.061 -13.815 -3.761 1.00 41.42 C ATOM 301 O VAL A 20 11.033 -13.459 -3.188 1.00 25.44 O ATOM 302 CB VAL A 20 12.389 -11.463 -4.694 1.00 32.22 C ATOM 303 CG1 VAL A 20 13.396 -10.520 -5.358 1.00 62.12 C ATOM 304 CG2 VAL A 20 11.191 -11.718 -5.612 1.00 12.44 C ATOM 0 H VAL A 20 14.797 -13.230 -5.361 1.00 23.12 H new ATOM 0 HA VAL A 20 13.741 -12.539 -3.471 1.00 24.13 H new ATOM 0 HB VAL A 20 12.021 -10.979 -3.789 1.00 32.22 H new ATOM 0 HG11 VAL A 20 12.896 -9.593 -5.639 1.00 62.12 H new ATOM 0 HG12 VAL A 20 14.203 -10.300 -4.660 1.00 62.12 H new ATOM 0 HG13 VAL A 20 13.806 -10.995 -6.249 1.00 62.12 H new ATOM 0 HG21 VAL A 20 10.734 -10.767 -5.887 1.00 12.44 H new ATOM 0 HG22 VAL A 20 11.526 -12.234 -6.512 1.00 12.44 H new ATOM 0 HG23 VAL A 20 10.459 -12.335 -5.091 1.00 12.44 H new ATOM 314 N GLU A 21 12.404 -15.077 -3.974 1.00 11.10 N ATOM 315 CA GLU A 21 11.554 -16.168 -3.530 1.00 25.04 C ATOM 316 C GLU A 21 12.382 -17.217 -2.785 1.00 12.30 C ATOM 317 O GLU A 21 13.595 -17.301 -2.971 1.00 52.20 O ATOM 318 CB GLU A 21 10.807 -16.796 -4.708 1.00 44.12 C ATOM 319 CG GLU A 21 11.768 -17.132 -5.851 1.00 55.24 C ATOM 320 CD GLU A 21 11.278 -18.349 -6.638 1.00 31.53 C ATOM 321 OE1 GLU A 21 11.160 -19.446 -6.072 1.00 42.20 O ATOM 322 OE2 GLU A 21 11.017 -18.125 -7.881 1.00 50.23 O1- ATOM 0 H GLU A 21 13.259 -15.368 -4.448 1.00 11.10 H new ATOM 0 HA GLU A 21 10.810 -15.765 -2.843 1.00 25.04 H new ATOM 0 HB2 GLU A 21 10.297 -17.701 -4.379 1.00 44.12 H new ATOM 0 HB3 GLU A 21 10.039 -16.109 -5.064 1.00 44.12 H new ATOM 0 HG2 GLU A 21 11.859 -16.275 -6.518 1.00 55.24 H new ATOM 0 HG3 GLU A 21 12.762 -17.330 -5.449 1.00 55.24 H new ATOM 330 N LYS A 22 11.695 -17.989 -1.957 1.00 73.14 N ATOM 331 CA LYS A 22 12.352 -19.029 -1.183 1.00 13.40 C ATOM 332 C LYS A 22 12.340 -20.335 -1.979 1.00 71.42 C ATOM 333 O LYS A 22 11.802 -21.341 -1.519 1.00 40.23 O ATOM 334 CB LYS A 22 11.716 -19.147 0.203 1.00 60.13 C ATOM 335 CG LYS A 22 11.209 -17.789 0.692 1.00 54.23 C ATOM 336 CD LYS A 22 10.976 -17.802 2.204 1.00 32.02 C ATOM 337 CE LYS A 22 9.869 -18.788 2.580 1.00 72.12 C ATOM 338 NZ LYS A 22 8.544 -18.246 2.205 1.00 5.33 N1+ ATOM 0 H LYS A 22 10.689 -17.915 -1.805 1.00 73.14 H new ATOM 0 HA LYS A 22 13.397 -18.772 -1.008 1.00 13.40 H new ATOM 0 HB2 LYS A 22 10.889 -19.857 0.168 1.00 60.13 H new ATOM 0 HB3 LYS A 22 12.446 -19.542 0.909 1.00 60.13 H new ATOM 0 HG2 LYS A 22 11.933 -17.014 0.439 1.00 54.23 H new ATOM 0 HG3 LYS A 22 10.280 -17.538 0.180 1.00 54.23 H new ATOM 0 HD2 LYS A 22 11.899 -18.074 2.715 1.00 32.02 H new ATOM 0 HD3 LYS A 22 10.707 -16.801 2.543 1.00 32.02 H new ATOM 0 HE2 LYS A 22 10.035 -19.740 2.076 1.00 72.12 H new ATOM 0 HE3 LYS A 22 9.898 -18.985 3.652 1.00 72.12 H new ATOM 0 HZ1 LYS A 22 7.797 -18.861 2.586 1.00 5.33 H new ATOM 0 HZ2 LYS A 22 8.437 -17.288 2.596 1.00 5.33 H new ATOM 0 HZ3 LYS A 22 8.465 -18.208 1.169 1.00 5.33 H new ATOM 351 N GLY A 23 12.939 -20.278 -3.159 1.00 32.25 N ATOM 352 CA GLY A 23 13.005 -21.445 -4.023 1.00 1.23 C ATOM 353 C GLY A 23 13.883 -21.172 -5.246 1.00 60.40 C ATOM 354 O GLY A 23 14.631 -22.045 -5.684 1.00 40.12 O ATOM 0 H GLY A 23 13.383 -19.442 -3.538 1.00 32.25 H new ATOM 0 HA2 GLY A 23 13.404 -22.292 -3.466 1.00 1.23 H new ATOM 0 HA3 GLY A 23 12.001 -21.720 -4.346 1.00 1.23 H new ATOM 358 N GLY A 24 13.762 -19.959 -5.763 1.00 42.54 N ATOM 359 CA GLY A 24 14.536 -19.560 -6.927 1.00 13.42 C ATOM 360 C GLY A 24 16.025 -19.466 -6.590 1.00 24.43 C ATOM 361 O GLY A 24 16.529 -18.387 -6.285 1.00 31.23 O ATOM 0 H GLY A 24 13.139 -19.238 -5.398 1.00 42.54 H new ATOM 0 HA2 GLY A 24 14.386 -20.280 -7.732 1.00 13.42 H new ATOM 0 HA3 GLY A 24 14.181 -18.596 -7.291 1.00 13.42 H new ATOM 365 N LYS A 25 16.687 -20.612 -6.656 1.00 43.10 N ATOM 366 CA LYS A 25 18.109 -20.673 -6.361 1.00 25.50 C ATOM 367 C LYS A 25 18.807 -19.462 -6.985 1.00 31.53 C ATOM 368 O LYS A 25 18.264 -18.825 -7.886 1.00 63.34 O ATOM 369 CB LYS A 25 18.692 -22.015 -6.809 1.00 45.42 C ATOM 370 CG LYS A 25 19.105 -21.971 -8.281 1.00 33.12 C ATOM 371 CD LYS A 25 19.594 -23.341 -8.754 1.00 51.15 C ATOM 372 CE LYS A 25 19.484 -23.467 -10.275 1.00 20.45 C ATOM 373 NZ LYS A 25 20.073 -22.282 -10.938 1.00 61.34 N1+ ATOM 0 H LYS A 25 16.265 -21.505 -6.909 1.00 43.10 H new ATOM 0 HA LYS A 25 18.277 -20.621 -5.285 1.00 25.50 H new ATOM 0 HB2 LYS A 25 19.556 -22.264 -6.193 1.00 45.42 H new ATOM 0 HB3 LYS A 25 17.955 -22.804 -6.658 1.00 45.42 H new ATOM 0 HG2 LYS A 25 18.259 -21.652 -8.890 1.00 33.12 H new ATOM 0 HG3 LYS A 25 19.894 -21.232 -8.419 1.00 33.12 H new ATOM 0 HD2 LYS A 25 20.630 -23.487 -8.447 1.00 51.15 H new ATOM 0 HD3 LYS A 25 19.006 -24.125 -8.277 1.00 51.15 H new ATOM 0 HE2 LYS A 25 19.996 -24.370 -10.609 1.00 20.45 H new ATOM 0 HE3 LYS A 25 18.438 -23.569 -10.562 1.00 20.45 H new ATOM 0 HZ1 LYS A 25 20.286 -22.509 -11.930 1.00 61.34 H new ATOM 0 HZ2 LYS A 25 19.398 -21.492 -10.901 1.00 61.34 H new ATOM 0 HZ3 LYS A 25 20.950 -22.011 -10.449 1.00 61.34 H new ATOM 386 N HIS A 26 19.999 -19.180 -6.479 1.00 35.31 N ATOM 387 CA HIS A 26 20.776 -18.057 -6.974 1.00 31.21 C ATOM 388 C HIS A 26 21.147 -18.296 -8.440 1.00 31.35 C ATOM 389 O HIS A 26 21.630 -19.371 -8.795 1.00 63.11 O ATOM 390 CB HIS A 26 21.997 -17.808 -6.087 1.00 60.42 C ATOM 391 CG HIS A 26 21.662 -17.564 -4.635 1.00 74.52 C ATOM 392 ND1 HIS A 26 22.443 -16.777 -3.807 1.00 53.11 N ATOM 393 CD2 HIS A 26 20.622 -18.010 -3.874 1.00 43.12 C ATOM 394 CE1 HIS A 26 21.889 -16.758 -2.604 1.00 4.22 C ATOM 395 NE2 HIS A 26 20.761 -17.523 -2.646 1.00 45.54 N ATOM 0 H HIS A 26 20.445 -19.710 -5.731 1.00 35.31 H new ATOM 0 HA HIS A 26 20.176 -17.148 -6.930 1.00 31.21 H new ATOM 0 HB2 HIS A 26 22.664 -18.667 -6.156 1.00 60.42 H new ATOM 0 HB3 HIS A 26 22.544 -16.948 -6.473 1.00 60.42 H new ATOM 0 HD2 HIS A 26 19.821 -18.651 -4.212 1.00 43.12 H new ATOM 0 HE1 HIS A 26 22.265 -16.229 -1.741 1.00 4.22 H new ATOM 0 HE2 HIS A 26 20.129 -17.693 -1.864 1.00 45.54 H new ATOM 403 N LYS A 27 20.906 -17.277 -9.251 1.00 43.43 N ATOM 404 CA LYS A 27 21.209 -17.363 -10.670 1.00 42.03 C ATOM 405 C LYS A 27 22.281 -16.330 -11.021 1.00 2.45 C ATOM 406 O LYS A 27 23.469 -16.647 -11.045 1.00 22.32 O ATOM 407 CB LYS A 27 19.930 -17.228 -11.500 1.00 4.12 C ATOM 408 CG LYS A 27 19.674 -18.491 -12.323 1.00 44.14 C ATOM 409 CD LYS A 27 20.401 -18.425 -13.668 1.00 74.23 C ATOM 410 CE LYS A 27 19.637 -17.547 -14.661 1.00 2.05 C ATOM 411 NZ LYS A 27 20.370 -17.456 -15.944 1.00 22.44 N1+ ATOM 0 H LYS A 27 20.505 -16.388 -8.953 1.00 43.43 H new ATOM 0 HA LYS A 27 21.618 -18.344 -10.914 1.00 42.03 H new ATOM 0 HB2 LYS A 27 19.082 -17.042 -10.840 1.00 4.12 H new ATOM 0 HB3 LYS A 27 20.012 -16.368 -12.164 1.00 4.12 H new ATOM 0 HG2 LYS A 27 20.009 -19.366 -11.767 1.00 44.14 H new ATOM 0 HG3 LYS A 27 18.603 -18.610 -12.490 1.00 44.14 H new ATOM 0 HD2 LYS A 27 21.406 -18.027 -13.523 1.00 74.23 H new ATOM 0 HD3 LYS A 27 20.511 -19.430 -14.076 1.00 74.23 H new ATOM 0 HE2 LYS A 27 18.643 -17.961 -14.832 1.00 2.05 H new ATOM 0 HE3 LYS A 27 19.499 -16.550 -14.243 1.00 2.05 H new ATOM 0 HZ1 LYS A 27 19.837 -16.856 -16.606 1.00 22.44 H new ATOM 0 HZ2 LYS A 27 21.309 -17.040 -15.779 1.00 22.44 H new ATOM 0 HZ3 LYS A 27 20.479 -18.407 -16.350 1.00 22.44 H new ATOM 424 N THR A 28 21.824 -15.115 -11.285 1.00 45.00 N ATOM 425 CA THR A 28 22.729 -14.034 -11.635 1.00 61.12 C ATOM 426 C THR A 28 23.223 -13.323 -10.373 1.00 45.43 C ATOM 427 O THR A 28 24.367 -12.876 -10.314 1.00 2.21 O ATOM 428 CB THR A 28 22.003 -13.105 -12.610 1.00 35.30 C ATOM 429 OG1 THR A 28 21.040 -12.436 -11.801 1.00 61.25 O ATOM 430 CG2 THR A 28 21.163 -13.872 -13.633 1.00 51.31 C ATOM 0 H THR A 28 20.838 -14.855 -11.263 1.00 45.00 H new ATOM 0 HA THR A 28 23.624 -14.412 -12.130 1.00 61.12 H new ATOM 0 HB THR A 28 22.732 -12.484 -13.131 1.00 35.30 H new ATOM 0 HG1 THR A 28 21.433 -11.616 -11.435 1.00 61.25 H new ATOM 0 HG21 THR A 28 20.669 -13.166 -14.301 1.00 51.31 H new ATOM 0 HG22 THR A 28 21.809 -14.530 -14.214 1.00 51.31 H new ATOM 0 HG23 THR A 28 20.412 -14.467 -13.114 1.00 51.31 H new ATOM 438 N GLY A 29 22.335 -13.240 -9.394 1.00 10.45 N ATOM 439 CA GLY A 29 22.666 -12.591 -8.136 1.00 52.43 C ATOM 440 C GLY A 29 22.159 -13.410 -6.947 1.00 73.33 C ATOM 441 O GLY A 29 21.611 -14.496 -7.124 1.00 12.41 O ATOM 0 H GLY A 29 21.386 -13.611 -9.446 1.00 10.45 H new ATOM 0 HA2 GLY A 29 23.746 -12.464 -8.061 1.00 52.43 H new ATOM 0 HA3 GLY A 29 22.226 -11.594 -8.110 1.00 52.43 H new ATOM 445 N PRO A 30 22.364 -12.842 -5.728 1.00 64.11 N ATOM 446 CA PRO A 30 21.936 -13.506 -4.510 1.00 53.23 C ATOM 447 C PRO A 30 20.417 -13.409 -4.337 1.00 41.02 C ATOM 448 O PRO A 30 19.816 -12.390 -4.674 1.00 1.24 O ATOM 449 CB PRO A 30 22.706 -12.820 -3.394 1.00 21.01 C ATOM 450 CG PRO A 30 23.182 -11.496 -3.970 1.00 61.15 C ATOM 451 CD PRO A 30 23.010 -11.556 -5.479 1.00 30.43 C ATOM 0 HA PRO A 30 22.145 -14.576 -4.519 1.00 53.23 H new ATOM 0 HB2 PRO A 30 22.072 -12.661 -2.522 1.00 21.01 H new ATOM 0 HB3 PRO A 30 23.549 -13.430 -3.068 1.00 21.01 H new ATOM 0 HG2 PRO A 30 22.607 -10.669 -3.553 1.00 61.15 H new ATOM 0 HG3 PRO A 30 24.226 -11.320 -3.711 1.00 61.15 H new ATOM 0 HD2 PRO A 30 22.399 -10.729 -5.841 1.00 30.43 H new ATOM 0 HD3 PRO A 30 23.971 -11.490 -5.990 1.00 30.43 H new ATOM 459 N ASN A 31 19.844 -14.481 -3.813 1.00 42.21 N ATOM 460 CA ASN A 31 18.409 -14.529 -3.592 1.00 54.23 C ATOM 461 C ASN A 31 17.981 -13.305 -2.778 1.00 24.12 C ATOM 462 O ASN A 31 18.811 -12.658 -2.141 1.00 22.02 O ATOM 463 CB ASN A 31 18.013 -15.780 -2.804 1.00 1.42 C ATOM 464 CG ASN A 31 16.508 -16.037 -2.903 1.00 33.11 C ATOM 465 OD1 ASN A 31 15.697 -15.367 -2.287 1.00 34.33 O ATOM 466 ND2 ASN A 31 16.183 -17.044 -3.709 1.00 24.23 N ATOM 0 H ASN A 31 20.347 -15.324 -3.535 1.00 42.21 H new ATOM 0 HA ASN A 31 17.920 -14.546 -4.566 1.00 54.23 H new ATOM 0 HB2 ASN A 31 18.559 -16.643 -3.186 1.00 1.42 H new ATOM 0 HB3 ASN A 31 18.297 -15.661 -1.758 1.00 1.42 H new ATOM 0 HD21 ASN A 31 15.203 -17.296 -3.841 1.00 24.23 H new ATOM 0 HD22 ASN A 31 16.913 -17.564 -4.195 1.00 24.23 H new ATOM 473 N LEU A 32 16.687 -13.024 -2.827 1.00 74.54 N ATOM 474 CA LEU A 32 16.140 -11.889 -2.103 1.00 5.51 C ATOM 475 C LEU A 32 15.078 -12.383 -1.119 1.00 71.53 C ATOM 476 O LEU A 32 13.884 -12.178 -1.334 1.00 22.25 O ATOM 477 CB LEU A 32 15.628 -10.827 -3.078 1.00 14.14 C ATOM 478 CG LEU A 32 16.634 -9.746 -3.480 1.00 30.32 C ATOM 479 CD1 LEU A 32 16.794 -8.707 -2.368 1.00 72.11 C ATOM 480 CD2 LEU A 32 17.973 -10.365 -3.884 1.00 23.23 C ATOM 0 H LEU A 32 16.002 -13.563 -3.357 1.00 74.54 H new ATOM 0 HA LEU A 32 16.918 -11.400 -1.516 1.00 5.51 H new ATOM 0 HB2 LEU A 32 15.283 -11.328 -3.982 1.00 14.14 H new ATOM 0 HB3 LEU A 32 14.761 -10.341 -2.632 1.00 14.14 H new ATOM 0 HG LEU A 32 16.245 -9.225 -4.355 1.00 30.32 H new ATOM 0 HD11 LEU A 32 17.514 -7.950 -2.678 1.00 72.11 H new ATOM 0 HD12 LEU A 32 15.832 -8.234 -2.171 1.00 72.11 H new ATOM 0 HD13 LEU A 32 17.150 -9.196 -1.461 1.00 72.11 H new ATOM 0 HD21 LEU A 32 18.669 -9.575 -4.165 1.00 23.23 H new ATOM 0 HD22 LEU A 32 18.382 -10.927 -3.045 1.00 23.23 H new ATOM 0 HD23 LEU A 32 17.823 -11.035 -4.731 1.00 23.23 H new ATOM 492 N HIS A 33 15.550 -13.023 -0.059 1.00 14.50 N ATOM 493 CA HIS A 33 14.656 -13.546 0.959 1.00 13.44 C ATOM 494 C HIS A 33 14.994 -12.917 2.312 1.00 62.54 C ATOM 495 O HIS A 33 14.107 -12.439 3.018 1.00 23.12 O ATOM 496 CB HIS A 33 14.702 -15.075 0.988 1.00 5.43 C ATOM 497 CG HIS A 33 14.445 -15.671 2.351 1.00 22.13 C ATOM 498 ND1 HIS A 33 13.170 -15.903 2.840 1.00 13.25 N ATOM 499 CD2 HIS A 33 15.310 -16.083 3.322 1.00 23.11 C ATOM 500 CE1 HIS A 33 13.276 -16.428 4.051 1.00 64.43 C ATOM 501 NE2 HIS A 33 14.602 -16.537 4.349 1.00 50.42 N ATOM 0 H HIS A 33 16.541 -13.191 0.116 1.00 14.50 H new ATOM 0 HA HIS A 33 13.628 -13.275 0.719 1.00 13.44 H new ATOM 0 HB2 HIS A 33 13.963 -15.464 0.287 1.00 5.43 H new ATOM 0 HB3 HIS A 33 15.679 -15.406 0.637 1.00 5.43 H new ATOM 0 HD2 HIS A 33 16.388 -16.046 3.265 1.00 23.11 H new ATOM 0 HE1 HIS A 33 12.456 -16.719 4.691 1.00 64.43 H new ATOM 0 HE2 HIS A 33 14.987 -16.907 5.218 1.00 50.42 H new ATOM 509 N GLY A 34 16.280 -12.937 2.633 1.00 75.21 N ATOM 510 CA GLY A 34 16.746 -12.375 3.889 1.00 51.24 C ATOM 511 C GLY A 34 17.377 -10.998 3.672 1.00 41.32 C ATOM 512 O GLY A 34 18.184 -10.546 4.484 1.00 23.54 O ATOM 0 H GLY A 34 17.013 -13.334 2.045 1.00 75.21 H new ATOM 0 HA2 GLY A 34 15.912 -12.291 4.586 1.00 51.24 H new ATOM 0 HA3 GLY A 34 17.475 -13.046 4.344 1.00 51.24 H new ATOM 516 N LEU A 35 16.987 -10.369 2.573 1.00 32.14 N ATOM 517 CA LEU A 35 17.504 -9.054 2.239 1.00 14.33 C ATOM 518 C LEU A 35 17.387 -8.139 3.460 1.00 14.32 C ATOM 519 O LEU A 35 18.385 -7.843 4.116 1.00 23.33 O ATOM 520 CB LEU A 35 16.809 -8.505 0.992 1.00 1.34 C ATOM 521 CG LEU A 35 16.952 -7.001 0.751 1.00 70.13 C ATOM 522 CD1 LEU A 35 18.322 -6.668 0.157 1.00 23.22 C ATOM 523 CD2 LEU A 35 15.809 -6.473 -0.118 1.00 20.03 C ATOM 0 H LEU A 35 16.318 -10.747 1.902 1.00 32.14 H new ATOM 0 HA LEU A 35 18.562 -9.115 1.985 1.00 14.33 H new ATOM 0 HB2 LEU A 35 17.200 -9.031 0.121 1.00 1.34 H new ATOM 0 HB3 LEU A 35 15.747 -8.743 1.058 1.00 1.34 H new ATOM 0 HG LEU A 35 16.886 -6.494 1.714 1.00 70.13 H new ATOM 0 HD11 LEU A 35 18.397 -5.593 -0.004 1.00 23.22 H new ATOM 0 HD12 LEU A 35 19.104 -6.987 0.846 1.00 23.22 H new ATOM 0 HD13 LEU A 35 18.442 -7.187 -0.794 1.00 23.22 H new ATOM 0 HD21 LEU A 35 15.935 -5.402 -0.274 1.00 20.03 H new ATOM 0 HD22 LEU A 35 15.819 -6.983 -1.081 1.00 20.03 H new ATOM 0 HD23 LEU A 35 14.858 -6.658 0.381 1.00 20.03 H new ATOM 535 N PHE A 36 16.161 -7.717 3.729 1.00 5.35 N ATOM 536 CA PHE A 36 15.901 -6.843 4.859 1.00 22.24 C ATOM 537 C PHE A 36 16.439 -7.449 6.157 1.00 61.41 C ATOM 538 O PHE A 36 16.208 -8.624 6.439 1.00 2.04 O ATOM 539 CB PHE A 36 14.382 -6.695 4.971 1.00 52.13 C ATOM 540 CG PHE A 36 13.809 -5.532 4.158 1.00 23.51 C ATOM 541 CD1 PHE A 36 13.850 -5.566 2.800 1.00 33.42 C ATOM 542 CD2 PHE A 36 13.258 -4.463 4.796 1.00 23.43 C ATOM 543 CE1 PHE A 36 13.317 -4.488 2.046 1.00 1.43 C ATOM 544 CE2 PHE A 36 12.726 -3.385 4.042 1.00 12.33 C ATOM 545 CZ PHE A 36 12.767 -3.419 2.683 1.00 2.54 C ATOM 0 H PHE A 36 15.336 -7.965 3.183 1.00 5.35 H new ATOM 0 HA PHE A 36 16.393 -5.883 4.706 1.00 22.24 H new ATOM 0 HB2 PHE A 36 13.912 -7.622 4.642 1.00 52.13 H new ATOM 0 HB3 PHE A 36 14.117 -6.558 6.019 1.00 52.13 H new ATOM 0 HD1 PHE A 36 14.288 -6.414 2.294 1.00 33.42 H new ATOM 0 HD2 PHE A 36 13.226 -4.435 5.875 1.00 23.43 H new ATOM 0 HE1 PHE A 36 13.348 -4.516 0.967 1.00 1.43 H new ATOM 0 HE2 PHE A 36 12.288 -2.537 4.548 1.00 12.33 H new ATOM 0 HZ PHE A 36 12.363 -2.598 2.110 1.00 2.54 H new ATOM 555 N GLY A 37 17.146 -6.621 6.911 1.00 15.13 N ATOM 556 CA GLY A 37 17.719 -7.062 8.172 1.00 44.23 C ATOM 557 C GLY A 37 18.984 -7.890 7.941 1.00 13.23 C ATOM 558 O GLY A 37 19.271 -8.817 8.696 1.00 33.14 O ATOM 0 H GLY A 37 17.335 -5.647 6.674 1.00 15.13 H new ATOM 0 HA2 GLY A 37 17.955 -6.196 8.791 1.00 44.23 H new ATOM 0 HA3 GLY A 37 16.987 -7.655 8.720 1.00 44.23 H new ATOM 562 N ARG A 38 19.707 -7.526 6.891 1.00 71.12 N ATOM 563 CA ARG A 38 20.935 -8.224 6.550 1.00 72.15 C ATOM 564 C ARG A 38 21.959 -7.244 5.975 1.00 53.24 C ATOM 565 O ARG A 38 21.621 -6.403 5.144 1.00 74.14 O ATOM 566 CB ARG A 38 20.672 -9.334 5.531 1.00 13.11 C ATOM 567 CG ARG A 38 21.963 -10.083 5.192 1.00 61.12 C ATOM 568 CD ARG A 38 21.667 -11.529 4.789 1.00 23.15 C ATOM 569 NE ARG A 38 21.144 -11.573 3.406 1.00 44.20 N ATOM 570 CZ ARG A 38 21.091 -12.691 2.651 1.00 15.22 C ATOM 571 NH1 ARG A 38 21.532 -13.869 3.142 1.00 2.45 N ATOM 572 NH2 ARG A 38 20.603 -12.615 1.427 1.00 43.34 N1+ ATOM 0 H ARG A 38 19.466 -6.757 6.266 1.00 71.12 H new ATOM 0 HA ARG A 38 21.328 -8.671 7.463 1.00 72.15 H new ATOM 0 HB2 ARG A 38 19.936 -10.032 5.930 1.00 13.11 H new ATOM 0 HB3 ARG A 38 20.246 -8.906 4.623 1.00 13.11 H new ATOM 0 HG2 ARG A 38 22.481 -9.574 4.379 1.00 61.12 H new ATOM 0 HG3 ARG A 38 22.632 -10.071 6.053 1.00 61.12 H new ATOM 0 HD2 ARG A 38 22.574 -12.128 4.862 1.00 23.15 H new ATOM 0 HD3 ARG A 38 20.941 -11.965 5.475 1.00 23.15 H new ATOM 0 HE ARG A 38 20.802 -10.704 2.997 1.00 44.20 H new ATOM 0 HH11 ARG A 38 21.908 -13.918 4.089 1.00 2.45 H new ATOM 0 HH12 ARG A 38 21.489 -14.710 2.566 1.00 2.45 H new ATOM 0 HH21 ARG A 38 20.273 -11.721 1.064 1.00 43.34 H new ATOM 0 HH22 ARG A 38 20.556 -13.451 0.844 1.00 43.34 H new ATOM 585 N LYS A 39 23.193 -7.386 6.438 1.00 1.25 N ATOM 586 CA LYS A 39 24.269 -6.524 5.980 1.00 23.04 C ATOM 587 C LYS A 39 24.654 -6.912 4.552 1.00 30.04 C ATOM 588 O LYS A 39 24.059 -7.818 3.969 1.00 3.20 O ATOM 589 CB LYS A 39 25.439 -6.560 6.965 1.00 65.41 C ATOM 590 CG LYS A 39 25.289 -5.477 8.035 1.00 52.45 C ATOM 591 CD LYS A 39 26.059 -5.850 9.303 1.00 54.13 C ATOM 592 CE LYS A 39 25.338 -6.954 10.079 1.00 12.24 C ATOM 593 NZ LYS A 39 24.381 -6.368 11.044 1.00 2.13 N1+ ATOM 0 H LYS A 39 23.471 -8.086 7.126 1.00 1.25 H new ATOM 0 HA LYS A 39 23.940 -5.485 5.950 1.00 23.04 H new ATOM 0 HB2 LYS A 39 25.490 -7.540 7.439 1.00 65.41 H new ATOM 0 HB3 LYS A 39 26.376 -6.417 6.427 1.00 65.41 H new ATOM 0 HG2 LYS A 39 25.656 -4.526 7.649 1.00 52.45 H new ATOM 0 HG3 LYS A 39 24.234 -5.339 8.273 1.00 52.45 H new ATOM 0 HD2 LYS A 39 27.063 -6.183 9.038 1.00 54.13 H new ATOM 0 HD3 LYS A 39 26.172 -4.970 9.936 1.00 54.13 H new ATOM 0 HE2 LYS A 39 24.810 -7.609 9.386 1.00 12.24 H new ATOM 0 HE3 LYS A 39 26.066 -7.570 10.608 1.00 12.24 H new ATOM 0 HZ1 LYS A 39 24.530 -6.792 11.982 1.00 2.13 H new ATOM 0 HZ2 LYS A 39 24.531 -5.340 11.101 1.00 2.13 H new ATOM 0 HZ3 LYS A 39 23.409 -6.559 10.728 1.00 2.13 H new ATOM 606 N THR A 40 25.647 -6.209 4.028 1.00 35.13 N ATOM 607 CA THR A 40 26.119 -6.469 2.678 1.00 75.44 C ATOM 608 C THR A 40 27.237 -7.514 2.696 1.00 43.11 C ATOM 609 O THR A 40 28.078 -7.512 3.594 1.00 72.31 O ATOM 610 CB THR A 40 26.543 -5.136 2.061 1.00 74.21 C ATOM 611 OG1 THR A 40 27.217 -4.462 3.120 1.00 42.25 O ATOM 612 CG2 THR A 40 25.350 -4.231 1.743 1.00 52.34 C ATOM 0 H THR A 40 26.138 -5.459 4.514 1.00 35.13 H new ATOM 0 HA THR A 40 25.330 -6.894 2.058 1.00 75.44 H new ATOM 0 HB THR A 40 27.110 -5.323 1.149 1.00 74.21 H new ATOM 0 HG1 THR A 40 28.133 -4.802 3.193 1.00 42.25 H new ATOM 0 HG21 THR A 40 25.707 -3.298 1.307 1.00 52.34 H new ATOM 0 HG22 THR A 40 24.691 -4.733 1.035 1.00 52.34 H new ATOM 0 HG23 THR A 40 24.801 -4.016 2.660 1.00 52.34 H new ATOM 620 N GLY A 41 27.209 -8.381 1.694 1.00 61.55 N ATOM 621 CA GLY A 41 28.210 -9.429 1.584 1.00 62.50 C ATOM 622 C GLY A 41 28.153 -10.371 2.788 1.00 21.13 C ATOM 623 O GLY A 41 29.143 -10.536 3.499 1.00 23.11 O ATOM 0 H GLY A 41 26.509 -8.379 0.952 1.00 61.55 H new ATOM 0 HA2 GLY A 41 28.049 -9.995 0.667 1.00 62.50 H new ATOM 0 HA3 GLY A 41 29.202 -8.983 1.513 1.00 62.50 H new ATOM 627 N GLN A 42 26.983 -10.963 2.981 1.00 20.11 N ATOM 628 CA GLN A 42 26.784 -11.884 4.087 1.00 50.44 C ATOM 629 C GLN A 42 26.497 -13.292 3.560 1.00 23.41 C ATOM 630 O GLN A 42 27.013 -14.275 4.091 1.00 22.22 O ATOM 631 CB GLN A 42 25.659 -11.403 5.005 1.00 22.15 C ATOM 632 CG GLN A 42 26.000 -10.046 5.625 1.00 43.33 C ATOM 633 CD GLN A 42 27.306 -10.119 6.418 1.00 74.22 C ATOM 634 OE1 GLN A 42 27.437 -10.856 7.382 1.00 53.24 O ATOM 635 NE2 GLN A 42 28.262 -9.314 5.962 1.00 55.35 N ATOM 0 H GLN A 42 26.164 -10.823 2.390 1.00 20.11 H new ATOM 0 HA GLN A 42 27.700 -11.917 4.676 1.00 50.44 H new ATOM 0 HB2 GLN A 42 24.731 -11.325 4.439 1.00 22.15 H new ATOM 0 HB3 GLN A 42 25.490 -12.136 5.794 1.00 22.15 H new ATOM 0 HG2 GLN A 42 26.089 -9.295 4.840 1.00 43.33 H new ATOM 0 HG3 GLN A 42 25.189 -9.728 6.281 1.00 43.33 H new ATOM 0 HE21 GLN A 42 28.086 -8.722 5.150 1.00 55.35 H new ATOM 0 HE22 GLN A 42 29.171 -9.288 6.425 1.00 55.35 H new ATOM 644 N ALA A 43 25.675 -13.344 2.522 1.00 70.23 N ATOM 645 CA ALA A 43 25.314 -14.615 1.917 1.00 30.12 C ATOM 646 C ALA A 43 26.543 -15.524 1.876 1.00 64.14 C ATOM 647 O ALA A 43 27.392 -15.386 0.997 1.00 13.20 O ATOM 648 CB ALA A 43 24.723 -14.371 0.528 1.00 22.12 C ATOM 0 H ALA A 43 25.249 -12.527 2.085 1.00 70.23 H new ATOM 0 HA ALA A 43 24.552 -15.119 2.511 1.00 30.12 H new ATOM 0 HB1 ALA A 43 24.453 -15.325 0.075 1.00 22.12 H new ATOM 0 HB2 ALA A 43 23.834 -13.746 0.615 1.00 22.12 H new ATOM 0 HB3 ALA A 43 25.460 -13.868 -0.098 1.00 22.12 H new ATOM 654 N PRO A 44 26.602 -16.457 2.865 1.00 21.12 N ATOM 655 CA PRO A 44 27.714 -17.388 2.950 1.00 3.52 C ATOM 656 C PRO A 44 27.601 -18.477 1.881 1.00 70.11 C ATOM 657 O PRO A 44 28.459 -19.353 1.788 1.00 13.44 O ATOM 658 CB PRO A 44 27.661 -17.937 4.366 1.00 43.33 C ATOM 659 CG PRO A 44 26.257 -17.650 4.871 1.00 50.30 C ATOM 660 CD PRO A 44 25.616 -16.649 3.924 1.00 14.51 C ATOM 0 HA PRO A 44 28.676 -16.913 2.758 1.00 3.52 H new ATOM 0 HB2 PRO A 44 27.870 -19.007 4.378 1.00 43.33 H new ATOM 0 HB3 PRO A 44 28.409 -17.459 4.999 1.00 43.33 H new ATOM 0 HG2 PRO A 44 25.670 -18.568 4.910 1.00 50.30 H new ATOM 0 HG3 PRO A 44 26.290 -17.250 5.884 1.00 50.30 H new ATOM 0 HD2 PRO A 44 24.675 -17.028 3.525 1.00 14.51 H new ATOM 0 HD3 PRO A 44 25.392 -15.711 4.432 1.00 14.51 H new ATOM 668 N GLY A 45 26.534 -18.386 1.101 1.00 63.41 N ATOM 669 CA GLY A 45 26.296 -19.353 0.042 1.00 62.30 C ATOM 670 C GLY A 45 26.832 -18.843 -1.297 1.00 51.31 C ATOM 671 O GLY A 45 27.507 -19.575 -2.019 1.00 1.41 O ATOM 0 H GLY A 45 25.824 -17.658 1.181 1.00 63.41 H new ATOM 0 HA2 GLY A 45 26.776 -20.299 0.294 1.00 62.30 H new ATOM 0 HA3 GLY A 45 25.227 -19.551 -0.042 1.00 62.30 H new ATOM 675 N TYR A 46 26.512 -17.590 -1.587 1.00 31.42 N ATOM 676 CA TYR A 46 26.953 -16.973 -2.827 1.00 33.33 C ATOM 677 C TYR A 46 27.696 -15.663 -2.554 1.00 21.45 C ATOM 678 O TYR A 46 27.114 -14.584 -2.654 1.00 53.01 O ATOM 679 CB TYR A 46 25.682 -16.668 -3.621 1.00 11.41 C ATOM 680 CG TYR A 46 25.940 -16.025 -4.986 1.00 3.21 C ATOM 681 CD1 TYR A 46 26.766 -16.651 -5.898 1.00 70.24 C ATOM 682 CD2 TYR A 46 25.346 -14.821 -5.304 1.00 42.12 C ATOM 683 CE1 TYR A 46 27.009 -16.046 -7.182 1.00 41.12 C ATOM 684 CE2 TYR A 46 25.589 -14.217 -6.589 1.00 4.30 C ATOM 685 CZ TYR A 46 26.409 -14.859 -7.464 1.00 64.21 C ATOM 686 OH TYR A 46 26.638 -14.287 -8.677 1.00 73.20 O ATOM 0 H TYR A 46 25.953 -16.986 -0.985 1.00 31.42 H new ATOM 0 HA TYR A 46 27.633 -17.634 -3.364 1.00 33.33 H new ATOM 0 HB2 TYR A 46 25.126 -17.594 -3.766 1.00 11.41 H new ATOM 0 HB3 TYR A 46 25.048 -16.005 -3.032 1.00 11.41 H new ATOM 0 HD1 TYR A 46 27.230 -17.594 -5.649 1.00 70.24 H new ATOM 0 HD2 TYR A 46 24.700 -14.332 -4.590 1.00 42.12 H new ATOM 0 HE1 TYR A 46 27.653 -16.524 -7.905 1.00 41.12 H new ATOM 0 HE2 TYR A 46 25.130 -13.275 -6.852 1.00 4.30 H new ATOM 0 HH TYR A 46 25.804 -13.904 -9.021 1.00 73.20 H new ATOM 696 N SER A 47 28.968 -15.802 -2.214 1.00 61.13 N ATOM 697 CA SER A 47 29.797 -14.643 -1.926 1.00 50.02 C ATOM 698 C SER A 47 29.789 -13.684 -3.119 1.00 61.25 C ATOM 699 O SER A 47 29.844 -14.120 -4.268 1.00 74.42 O ATOM 700 CB SER A 47 31.229 -15.060 -1.588 1.00 64.01 C ATOM 701 OG SER A 47 31.947 -14.019 -0.930 1.00 62.20 O ATOM 0 H SER A 47 29.446 -16.699 -2.131 1.00 61.13 H new ATOM 0 HA SER A 47 29.382 -14.133 -1.056 1.00 50.02 H new ATOM 0 HB2 SER A 47 31.208 -15.945 -0.951 1.00 64.01 H new ATOM 0 HB3 SER A 47 31.751 -15.338 -2.503 1.00 64.01 H new ATOM 0 HG SER A 47 32.856 -14.325 -0.729 1.00 62.20 H new ATOM 707 N TYR A 48 29.723 -12.400 -2.804 1.00 23.43 N ATOM 708 CA TYR A 48 29.709 -11.377 -3.836 1.00 51.03 C ATOM 709 C TYR A 48 31.127 -10.897 -4.153 1.00 50.11 C ATOM 710 O TYR A 48 32.099 -11.422 -3.612 1.00 44.52 O ATOM 711 CB TYR A 48 28.903 -10.209 -3.262 1.00 20.35 C ATOM 712 CG TYR A 48 27.626 -10.633 -2.535 1.00 25.13 C ATOM 713 CD1 TYR A 48 27.055 -11.861 -2.800 1.00 3.33 C ATOM 714 CD2 TYR A 48 27.045 -9.787 -1.612 1.00 40.21 C ATOM 715 CE1 TYR A 48 25.853 -12.259 -2.116 1.00 31.53 C ATOM 716 CE2 TYR A 48 25.843 -10.186 -0.927 1.00 74.50 C ATOM 717 CZ TYR A 48 25.306 -11.402 -1.212 1.00 31.14 C ATOM 718 OH TYR A 48 24.171 -11.779 -0.565 1.00 23.04 O ATOM 0 H TYR A 48 29.679 -12.044 -1.849 1.00 23.43 H new ATOM 0 HA TYR A 48 29.279 -11.768 -4.758 1.00 51.03 H new ATOM 0 HB2 TYR A 48 29.534 -9.650 -2.571 1.00 20.35 H new ATOM 0 HB3 TYR A 48 28.639 -9.530 -4.073 1.00 20.35 H new ATOM 0 HD1 TYR A 48 27.510 -12.524 -3.521 1.00 3.33 H new ATOM 0 HD2 TYR A 48 27.492 -8.826 -1.404 1.00 40.21 H new ATOM 0 HE1 TYR A 48 25.395 -13.217 -2.316 1.00 31.53 H new ATOM 0 HE2 TYR A 48 25.378 -9.534 -0.203 1.00 74.50 H new ATOM 0 HH TYR A 48 23.895 -11.069 0.051 1.00 23.04 H new ATOM 728 N THR A 49 31.200 -9.903 -5.026 1.00 5.20 N ATOM 729 CA THR A 49 32.483 -9.347 -5.421 1.00 43.03 C ATOM 730 C THR A 49 33.190 -8.729 -4.212 1.00 11.41 C ATOM 731 O THR A 49 32.555 -8.438 -3.200 1.00 40.24 O ATOM 732 CB THR A 49 32.237 -8.351 -6.555 1.00 0.23 C ATOM 733 OG1 THR A 49 31.090 -7.618 -6.132 1.00 65.43 O ATOM 734 CG2 THR A 49 31.787 -9.034 -7.848 1.00 63.33 C ATOM 0 H THR A 49 30.392 -9.468 -5.471 1.00 5.20 H new ATOM 0 HA THR A 49 33.154 -10.122 -5.790 1.00 43.03 H new ATOM 0 HB THR A 49 33.149 -7.784 -6.743 1.00 0.23 H new ATOM 0 HG1 THR A 49 30.289 -7.991 -6.556 1.00 65.43 H new ATOM 0 HG21 THR A 49 31.626 -8.282 -8.620 1.00 63.33 H new ATOM 0 HG22 THR A 49 32.556 -9.733 -8.177 1.00 63.33 H new ATOM 0 HG23 THR A 49 30.858 -9.575 -7.669 1.00 63.33 H new ATOM 742 N ALA A 50 34.494 -8.548 -4.359 1.00 63.11 N ATOM 743 CA ALA A 50 35.295 -7.971 -3.293 1.00 4.40 C ATOM 744 C ALA A 50 34.812 -6.545 -3.014 1.00 24.52 C ATOM 745 O ALA A 50 35.023 -6.017 -1.923 1.00 65.45 O ATOM 746 CB ALA A 50 36.773 -8.020 -3.680 1.00 22.44 C ATOM 0 H ALA A 50 35.016 -8.791 -5.201 1.00 63.11 H new ATOM 0 HA ALA A 50 35.181 -8.545 -2.373 1.00 4.40 H new ATOM 0 HB1 ALA A 50 37.373 -7.587 -2.880 1.00 22.44 H new ATOM 0 HB2 ALA A 50 37.073 -9.056 -3.839 1.00 22.44 H new ATOM 0 HB3 ALA A 50 36.928 -7.452 -4.598 1.00 22.44 H new ATOM 752 N ALA A 51 34.175 -5.963 -4.019 1.00 22.13 N ATOM 753 CA ALA A 51 33.662 -4.609 -3.896 1.00 24.51 C ATOM 754 C ALA A 51 32.495 -4.599 -2.907 1.00 32.14 C ATOM 755 O ALA A 51 32.614 -4.068 -1.804 1.00 53.32 O ATOM 756 CB ALA A 51 33.260 -4.088 -5.277 1.00 73.13 C ATOM 0 H ALA A 51 34.002 -6.404 -4.922 1.00 22.13 H new ATOM 0 HA ALA A 51 34.430 -3.941 -3.507 1.00 24.51 H new ATOM 0 HB1 ALA A 51 32.875 -3.072 -5.185 1.00 73.13 H new ATOM 0 HB2 ALA A 51 34.130 -4.088 -5.933 1.00 73.13 H new ATOM 0 HB3 ALA A 51 32.488 -4.732 -5.698 1.00 73.13 H new ATOM 762 N ASN A 52 31.391 -5.193 -3.337 1.00 72.12 N ATOM 763 CA ASN A 52 30.203 -5.260 -2.504 1.00 72.03 C ATOM 764 C ASN A 52 30.590 -5.758 -1.111 1.00 44.33 C ATOM 765 O ASN A 52 30.107 -5.239 -0.105 1.00 21.23 O ATOM 766 CB ASN A 52 29.176 -6.233 -3.086 1.00 71.24 C ATOM 767 CG ASN A 52 27.790 -5.994 -2.481 1.00 1.21 C ATOM 768 OD1 ASN A 52 26.893 -5.459 -3.112 1.00 10.34 O ATOM 769 ND2 ASN A 52 27.666 -6.419 -1.227 1.00 51.41 N ATOM 0 H ASN A 52 31.295 -5.632 -4.252 1.00 72.12 H new ATOM 0 HA ASN A 52 29.767 -4.262 -2.457 1.00 72.03 H new ATOM 0 HB2 ASN A 52 29.130 -6.114 -4.169 1.00 71.24 H new ATOM 0 HB3 ASN A 52 29.490 -7.258 -2.891 1.00 71.24 H new ATOM 0 HD21 ASN A 52 26.780 -6.305 -0.735 1.00 51.41 H new ATOM 0 HD22 ASN A 52 28.457 -6.859 -0.757 1.00 51.41 H new ATOM 776 N LYS A 53 31.457 -6.758 -1.094 1.00 31.33 N ATOM 777 CA LYS A 53 31.916 -7.333 0.160 1.00 23.25 C ATOM 778 C LYS A 53 32.337 -6.207 1.107 1.00 40.10 C ATOM 779 O LYS A 53 31.912 -6.171 2.261 1.00 44.44 O ATOM 780 CB LYS A 53 33.014 -8.367 -0.094 1.00 41.40 C ATOM 781 CG LYS A 53 33.078 -9.388 1.043 1.00 75.03 C ATOM 782 CD LYS A 53 34.478 -9.998 1.154 1.00 74.12 C ATOM 783 CE LYS A 53 34.438 -11.328 1.909 1.00 55.52 C ATOM 784 NZ LYS A 53 34.568 -11.102 3.366 1.00 13.54 N1+ ATOM 0 H LYS A 53 31.855 -7.186 -1.930 1.00 31.33 H new ATOM 0 HA LYS A 53 31.108 -7.876 0.649 1.00 23.25 H new ATOM 0 HB2 LYS A 53 32.825 -8.879 -1.037 1.00 41.40 H new ATOM 0 HB3 LYS A 53 33.976 -7.865 -0.191 1.00 41.40 H new ATOM 0 HG2 LYS A 53 32.811 -8.907 1.984 1.00 75.03 H new ATOM 0 HG3 LYS A 53 32.346 -10.177 0.870 1.00 75.03 H new ATOM 0 HD2 LYS A 53 34.891 -10.154 0.157 1.00 74.12 H new ATOM 0 HD3 LYS A 53 35.142 -9.303 1.669 1.00 74.12 H new ATOM 0 HE2 LYS A 53 33.502 -11.845 1.697 1.00 55.52 H new ATOM 0 HE3 LYS A 53 35.244 -11.974 1.562 1.00 55.52 H new ATOM 0 HZ1 LYS A 53 34.539 -12.015 3.863 1.00 13.54 H new ATOM 0 HZ2 LYS A 53 35.472 -10.628 3.565 1.00 13.54 H new ATOM 0 HZ3 LYS A 53 33.784 -10.503 3.696 1.00 13.54 H new ATOM 797 N ASN A 54 33.167 -5.317 0.584 1.00 32.11 N ATOM 798 CA ASN A 54 33.651 -4.193 1.369 1.00 62.53 C ATOM 799 C ASN A 54 32.466 -3.506 2.051 1.00 21.52 C ATOM 800 O ASN A 54 32.450 -3.354 3.272 1.00 54.24 O ATOM 801 CB ASN A 54 34.348 -3.162 0.482 1.00 4.13 C ATOM 802 CG ASN A 54 35.412 -3.824 -0.396 1.00 23.22 C ATOM 803 OD1 ASN A 54 35.489 -3.606 -1.595 1.00 64.31 O ATOM 804 ND2 ASN A 54 36.227 -4.643 0.265 1.00 31.23 N ATOM 0 H ASN A 54 33.517 -5.351 -0.373 1.00 32.11 H new ATOM 0 HA ASN A 54 34.360 -4.575 2.104 1.00 62.53 H new ATOM 0 HB2 ASN A 54 33.612 -2.662 -0.147 1.00 4.13 H new ATOM 0 HB3 ASN A 54 34.810 -2.395 1.104 1.00 4.13 H new ATOM 0 HD21 ASN A 54 36.971 -5.133 -0.232 1.00 31.23 H new ATOM 0 HD22 ASN A 54 36.108 -4.781 1.269 1.00 31.23 H new ATOM 811 N LYS A 55 31.503 -3.108 1.233 1.00 3.10 N ATOM 812 CA LYS A 55 30.316 -2.440 1.742 1.00 52.01 C ATOM 813 C LYS A 55 29.828 -3.164 2.999 1.00 71.13 C ATOM 814 O LYS A 55 29.812 -4.393 3.045 1.00 34.34 O ATOM 815 CB LYS A 55 29.254 -2.327 0.647 1.00 61.43 C ATOM 816 CG LYS A 55 28.180 -1.307 1.028 1.00 35.11 C ATOM 817 CD LYS A 55 28.695 0.124 0.856 1.00 31.33 C ATOM 818 CE LYS A 55 28.507 0.603 -0.585 1.00 31.13 C ATOM 819 NZ LYS A 55 29.420 1.730 -0.879 1.00 40.52 N1+ ATOM 0 H LYS A 55 31.520 -3.235 0.221 1.00 3.10 H new ATOM 0 HA LYS A 55 30.551 -1.416 2.034 1.00 52.01 H new ATOM 0 HB2 LYS A 55 29.724 -2.032 -0.291 1.00 61.43 H new ATOM 0 HB3 LYS A 55 28.793 -3.301 0.481 1.00 61.43 H new ATOM 0 HG2 LYS A 55 27.296 -1.456 0.408 1.00 35.11 H new ATOM 0 HG3 LYS A 55 27.874 -1.465 2.062 1.00 35.11 H new ATOM 0 HD2 LYS A 55 28.165 0.790 1.537 1.00 31.33 H new ATOM 0 HD3 LYS A 55 29.751 0.169 1.124 1.00 31.33 H new ATOM 0 HE2 LYS A 55 28.699 -0.218 -1.276 1.00 31.13 H new ATOM 0 HE3 LYS A 55 27.474 0.914 -0.739 1.00 31.13 H new ATOM 0 HZ1 LYS A 55 29.256 2.065 -1.850 1.00 40.52 H new ATOM 0 HZ2 LYS A 55 29.241 2.506 -0.210 1.00 40.52 H new ATOM 0 HZ3 LYS A 55 30.406 1.412 -0.784 1.00 40.52 H new ATOM 832 N GLY A 56 29.444 -2.370 3.987 1.00 14.34 N ATOM 833 CA GLY A 56 28.957 -2.919 5.241 1.00 1.53 C ATOM 834 C GLY A 56 27.803 -2.081 5.796 1.00 71.44 C ATOM 835 O GLY A 56 27.926 -1.474 6.858 1.00 74.10 O ATOM 0 H GLY A 56 29.460 -1.351 3.945 1.00 14.34 H new ATOM 0 HA2 GLY A 56 28.625 -3.946 5.088 1.00 1.53 H new ATOM 0 HA3 GLY A 56 29.769 -2.952 5.967 1.00 1.53 H new ATOM 839 N ILE A 57 26.707 -2.075 5.050 1.00 74.01 N ATOM 840 CA ILE A 57 25.532 -1.322 5.454 1.00 43.32 C ATOM 841 C ILE A 57 24.323 -2.259 5.502 1.00 62.24 C ATOM 842 O ILE A 57 24.369 -3.366 4.967 1.00 3.42 O ATOM 843 CB ILE A 57 25.334 -0.110 4.543 1.00 40.53 C ATOM 844 CG1 ILE A 57 24.905 -0.542 3.139 1.00 32.54 C ATOM 845 CG2 ILE A 57 26.589 0.766 4.515 1.00 3.00 C ATOM 846 CD1 ILE A 57 23.385 -0.686 3.051 1.00 32.33 C ATOM 0 H ILE A 57 26.609 -2.579 4.169 1.00 74.01 H new ATOM 0 HA ILE A 57 25.664 -0.919 6.458 1.00 43.32 H new ATOM 0 HB ILE A 57 24.527 0.497 4.953 1.00 40.53 H new ATOM 0 HG12 ILE A 57 25.247 0.191 2.408 1.00 32.54 H new ATOM 0 HG13 ILE A 57 25.379 -1.490 2.886 1.00 32.54 H new ATOM 0 HG21 ILE A 57 26.421 1.621 3.860 1.00 3.00 H new ATOM 0 HG22 ILE A 57 26.809 1.119 5.523 1.00 3.00 H new ATOM 0 HG23 ILE A 57 27.431 0.183 4.143 1.00 3.00 H new ATOM 0 HD11 ILE A 57 23.106 -0.994 2.043 1.00 32.33 H new ATOM 0 HD12 ILE A 57 23.049 -1.437 3.766 1.00 32.33 H new ATOM 0 HD13 ILE A 57 22.915 0.270 3.281 1.00 32.33 H new ATOM 858 N ILE A 58 23.270 -1.781 6.148 1.00 34.44 N ATOM 859 CA ILE A 58 22.050 -2.562 6.272 1.00 71.13 C ATOM 860 C ILE A 58 21.109 -2.218 5.115 1.00 61.15 C ATOM 861 O ILE A 58 21.029 -1.064 4.698 1.00 1.32 O ATOM 862 CB ILE A 58 21.425 -2.361 7.654 1.00 10.41 C ATOM 863 CG1 ILE A 58 22.358 -2.866 8.757 1.00 53.34 C ATOM 864 CG2 ILE A 58 20.043 -3.014 7.730 1.00 13.54 C ATOM 865 CD1 ILE A 58 22.147 -4.359 9.013 1.00 42.52 C ATOM 0 H ILE A 58 23.236 -0.863 6.591 1.00 34.44 H new ATOM 0 HA ILE A 58 22.270 -3.627 6.198 1.00 71.13 H new ATOM 0 HB ILE A 58 21.286 -1.292 7.814 1.00 10.41 H new ATOM 0 HG12 ILE A 58 23.395 -2.685 8.472 1.00 53.34 H new ATOM 0 HG13 ILE A 58 22.177 -2.307 9.675 1.00 53.34 H new ATOM 0 HG21 ILE A 58 19.620 -2.857 8.722 1.00 13.54 H new ATOM 0 HG22 ILE A 58 19.388 -2.568 6.982 1.00 13.54 H new ATOM 0 HG23 ILE A 58 20.135 -4.083 7.540 1.00 13.54 H new ATOM 0 HD11 ILE A 58 22.822 -4.692 9.801 1.00 42.52 H new ATOM 0 HD12 ILE A 58 21.116 -4.533 9.321 1.00 42.52 H new ATOM 0 HD13 ILE A 58 22.352 -4.917 8.100 1.00 42.52 H new ATOM 877 N TRP A 59 20.421 -3.241 4.631 1.00 12.43 N ATOM 878 CA TRP A 59 19.489 -3.062 3.531 1.00 31.13 C ATOM 879 C TRP A 59 18.138 -2.649 4.118 1.00 62.44 C ATOM 880 O TRP A 59 17.819 -2.994 5.255 1.00 4.32 O ATOM 881 CB TRP A 59 19.405 -4.325 2.672 1.00 3.14 C ATOM 882 CG TRP A 59 20.582 -4.503 1.709 1.00 60.14 C ATOM 883 CD1 TRP A 59 21.402 -5.555 1.594 1.00 33.12 C ATOM 884 CD2 TRP A 59 21.038 -3.550 0.725 1.00 22.32 C ATOM 885 NE1 TRP A 59 22.350 -5.353 0.611 1.00 43.14 N ATOM 886 CE2 TRP A 59 22.122 -4.095 0.066 1.00 22.33 C ATOM 887 CE3 TRP A 59 20.551 -2.272 0.402 1.00 1.23 C ATOM 888 CZ2 TRP A 59 22.810 -3.431 -0.956 1.00 75.24 C ATOM 889 CZ3 TRP A 59 21.250 -1.621 -0.622 1.00 14.52 C ATOM 890 CH2 TRP A 59 22.342 -2.155 -1.295 1.00 62.15 C ATOM 0 H TRP A 59 20.490 -4.197 4.980 1.00 12.43 H new ATOM 0 HA TRP A 59 19.833 -2.275 2.860 1.00 31.13 H new ATOM 0 HB2 TRP A 59 19.350 -5.194 3.327 1.00 3.14 H new ATOM 0 HB3 TRP A 59 18.479 -4.300 2.097 1.00 3.14 H new ATOM 0 HD1 TRP A 59 21.331 -6.450 2.195 1.00 33.12 H new ATOM 0 HE1 TRP A 59 23.083 -6.007 0.335 1.00 43.14 H new ATOM 0 HE3 TRP A 59 19.705 -1.827 0.904 1.00 1.23 H new ATOM 0 HZ2 TRP A 59 23.656 -3.878 -1.456 1.00 75.24 H new ATOM 0 HZ3 TRP A 59 20.917 -0.635 -0.909 1.00 14.52 H new ATOM 0 HH2 TRP A 59 22.828 -1.589 -2.076 1.00 62.15 H new ATOM 901 N GLY A 60 17.381 -1.914 3.317 1.00 60.12 N ATOM 902 CA GLY A 60 16.072 -1.449 3.743 1.00 61.54 C ATOM 903 C GLY A 60 15.418 -0.585 2.663 1.00 2.44 C ATOM 904 O GLY A 60 16.105 0.134 1.939 1.00 64.10 O ATOM 0 H GLY A 60 17.649 -1.629 2.375 1.00 60.12 H new ATOM 0 HA2 GLY A 60 15.433 -2.304 3.966 1.00 61.54 H new ATOM 0 HA3 GLY A 60 16.168 -0.874 4.664 1.00 61.54 H new ATOM 908 N GLU A 61 14.099 -0.683 2.590 1.00 1.02 N ATOM 909 CA GLU A 61 13.345 0.081 1.610 1.00 43.51 C ATOM 910 C GLU A 61 13.917 1.495 1.486 1.00 54.24 C ATOM 911 O GLU A 61 13.842 2.107 0.421 1.00 64.13 O ATOM 912 CB GLU A 61 11.859 0.120 1.971 1.00 4.31 C ATOM 913 CG GLU A 61 11.665 0.290 3.479 1.00 42.02 C ATOM 914 CD GLU A 61 10.369 1.043 3.784 1.00 40.13 C ATOM 915 OE1 GLU A 61 9.528 1.217 2.889 1.00 42.11 O ATOM 916 OE2 GLU A 61 10.249 1.453 5.002 1.00 53.22 O1- ATOM 0 H GLU A 61 13.533 -1.280 3.193 1.00 1.02 H new ATOM 0 HA GLU A 61 13.437 -0.413 0.643 1.00 43.51 H new ATOM 0 HB2 GLU A 61 11.375 0.942 1.444 1.00 4.31 H new ATOM 0 HB3 GLU A 61 11.377 -0.800 1.640 1.00 4.31 H new ATOM 0 HG2 GLU A 61 11.643 -0.688 3.959 1.00 42.02 H new ATOM 0 HG3 GLU A 61 12.512 0.832 3.899 1.00 42.02 H new ATOM 924 N ASP A 62 14.475 1.972 2.589 1.00 41.03 N ATOM 925 CA ASP A 62 15.058 3.303 2.616 1.00 11.04 C ATOM 926 C ASP A 62 16.293 3.333 1.714 1.00 64.11 C ATOM 927 O ASP A 62 16.330 4.073 0.733 1.00 4.51 O ATOM 928 CB ASP A 62 15.498 3.681 4.032 1.00 52.14 C ATOM 929 CG ASP A 62 14.639 3.097 5.155 1.00 62.42 C ATOM 930 OD1 ASP A 62 14.894 1.986 5.643 1.00 35.04 O ATOM 931 OD2 ASP A 62 13.656 3.843 5.533 1.00 62.51 O1- ATOM 0 H ASP A 62 14.536 1.461 3.470 1.00 41.03 H new ATOM 0 HA ASP A 62 14.303 4.009 2.271 1.00 11.04 H new ATOM 0 HB2 ASP A 62 16.528 3.354 4.175 1.00 52.14 H new ATOM 0 HB3 ASP A 62 15.494 4.767 4.119 1.00 52.14 H new ATOM 937 N THR A 63 17.272 2.517 2.077 1.00 73.22 N ATOM 938 CA THR A 63 18.505 2.441 1.312 1.00 3.24 C ATOM 939 C THR A 63 18.211 2.031 -0.133 1.00 11.02 C ATOM 940 O THR A 63 18.975 2.353 -1.040 1.00 1.20 O ATOM 941 CB THR A 63 19.452 1.481 2.035 1.00 40.22 C ATOM 942 OG1 THR A 63 18.640 0.347 2.326 1.00 4.21 O ATOM 943 CG2 THR A 63 19.872 2.000 3.411 1.00 44.33 C ATOM 0 H THR A 63 17.236 1.903 2.891 1.00 73.22 H new ATOM 0 HA THR A 63 18.992 3.414 1.249 1.00 3.24 H new ATOM 0 HB THR A 63 20.338 1.315 1.423 1.00 40.22 H new ATOM 0 HG1 THR A 63 17.838 0.365 1.762 1.00 4.21 H new ATOM 0 HG21 THR A 63 20.543 1.282 3.881 1.00 44.33 H new ATOM 0 HG22 THR A 63 20.384 2.956 3.299 1.00 44.33 H new ATOM 0 HG23 THR A 63 18.988 2.133 4.035 1.00 44.33 H new ATOM 951 N LEU A 64 17.102 1.326 -0.300 1.00 10.45 N ATOM 952 CA LEU A 64 16.698 0.869 -1.619 1.00 43.40 C ATOM 953 C LEU A 64 16.184 2.058 -2.431 1.00 72.41 C ATOM 954 O LEU A 64 16.488 2.184 -3.617 1.00 42.34 O ATOM 955 CB LEU A 64 15.691 -0.278 -1.503 1.00 75.52 C ATOM 956 CG LEU A 64 16.259 -1.628 -1.059 1.00 12.32 C ATOM 957 CD1 LEU A 64 15.137 -2.609 -0.717 1.00 31.02 C ATOM 958 CD2 LEU A 64 17.213 -2.194 -2.112 1.00 20.25 C ATOM 0 H LEU A 64 16.471 1.060 0.456 1.00 10.45 H new ATOM 0 HA LEU A 64 17.552 0.460 -2.159 1.00 43.40 H new ATOM 0 HB2 LEU A 64 14.915 0.017 -0.797 1.00 75.52 H new ATOM 0 HB3 LEU A 64 15.208 -0.410 -2.471 1.00 75.52 H new ATOM 0 HG LEU A 64 16.839 -1.472 -0.149 1.00 12.32 H new ATOM 0 HD11 LEU A 64 15.568 -3.560 -0.405 1.00 31.02 H new ATOM 0 HD12 LEU A 64 14.532 -2.202 0.093 1.00 31.02 H new ATOM 0 HD13 LEU A 64 14.510 -2.766 -1.595 1.00 31.02 H new ATOM 0 HD21 LEU A 64 17.603 -3.154 -1.772 1.00 20.25 H new ATOM 0 HD22 LEU A 64 16.678 -2.332 -3.051 1.00 20.25 H new ATOM 0 HD23 LEU A 64 18.040 -1.500 -2.264 1.00 20.25 H new ATOM 970 N MET A 65 15.413 2.902 -1.762 1.00 14.04 N ATOM 971 CA MET A 65 14.854 4.078 -2.406 1.00 64.51 C ATOM 972 C MET A 65 15.961 5.009 -2.907 1.00 44.11 C ATOM 973 O MET A 65 15.721 5.865 -3.756 1.00 35.15 O ATOM 974 CB MET A 65 13.964 4.831 -1.415 1.00 75.32 C ATOM 975 CG MET A 65 13.592 6.214 -1.953 1.00 12.54 C ATOM 976 SD MET A 65 12.905 6.067 -3.593 1.00 72.52 S ATOM 977 CE MET A 65 11.401 5.179 -3.221 1.00 71.41 C ATOM 0 H MET A 65 15.162 2.795 -0.779 1.00 14.04 H new ATOM 0 HA MET A 65 14.264 3.752 -3.262 1.00 64.51 H new ATOM 0 HB2 MET A 65 13.058 4.255 -1.224 1.00 75.32 H new ATOM 0 HB3 MET A 65 14.482 4.935 -0.462 1.00 75.32 H new ATOM 0 HG2 MET A 65 12.870 6.689 -1.289 1.00 12.54 H new ATOM 0 HG3 MET A 65 14.474 6.854 -1.975 1.00 12.54 H new ATOM 0 HE1 MET A 65 11.474 4.162 -3.606 1.00 71.41 H new ATOM 0 HE2 MET A 65 11.254 5.149 -2.141 1.00 71.41 H new ATOM 0 HE3 MET A 65 10.555 5.684 -3.688 1.00 71.41 H new ATOM 987 N GLU A 66 17.151 4.808 -2.358 1.00 20.23 N ATOM 988 CA GLU A 66 18.296 5.619 -2.738 1.00 4.35 C ATOM 989 C GLU A 66 19.268 4.798 -3.589 1.00 12.41 C ATOM 990 O GLU A 66 19.994 5.350 -4.413 1.00 31.41 O ATOM 991 CB GLU A 66 18.997 6.190 -1.504 1.00 2.12 C ATOM 992 CG GLU A 66 20.371 6.756 -1.866 1.00 74.21 C ATOM 993 CD GLU A 66 20.851 7.752 -0.807 1.00 11.01 C ATOM 994 OE1 GLU A 66 20.785 8.970 -1.028 1.00 62.03 O ATOM 995 OE2 GLU A 66 21.303 7.218 0.276 1.00 61.41 O1- ATOM 0 H GLU A 66 17.347 4.096 -1.654 1.00 20.23 H new ATOM 0 HA GLU A 66 17.940 6.459 -3.335 1.00 4.35 H new ATOM 0 HB2 GLU A 66 18.382 6.974 -1.062 1.00 2.12 H new ATOM 0 HB3 GLU A 66 19.108 5.410 -0.751 1.00 2.12 H new ATOM 0 HG2 GLU A 66 21.091 5.942 -1.958 1.00 74.21 H new ATOM 0 HG3 GLU A 66 20.321 7.248 -2.837 1.00 74.21 H new ATOM 1003 N TYR A 67 19.248 3.494 -3.361 1.00 2.54 N ATOM 1004 CA TYR A 67 20.118 2.591 -4.096 1.00 70.14 C ATOM 1005 C TYR A 67 19.461 2.138 -5.401 1.00 15.44 C ATOM 1006 O TYR A 67 20.112 1.532 -6.250 1.00 20.34 O ATOM 1007 CB TYR A 67 20.324 1.374 -3.192 1.00 71.01 C ATOM 1008 CG TYR A 67 21.144 0.254 -3.836 1.00 33.43 C ATOM 1009 CD1 TYR A 67 22.178 0.562 -4.696 1.00 73.53 C ATOM 1010 CD2 TYR A 67 20.849 -1.065 -3.555 1.00 25.24 C ATOM 1011 CE1 TYR A 67 22.949 -0.492 -5.302 1.00 50.13 C ATOM 1012 CE2 TYR A 67 21.621 -2.120 -4.161 1.00 12.44 C ATOM 1013 CZ TYR A 67 22.633 -1.781 -5.004 1.00 70.00 C ATOM 1014 OH TYR A 67 23.363 -2.777 -5.575 1.00 1.15 O ATOM 0 H TYR A 67 18.643 3.040 -2.677 1.00 2.54 H new ATOM 0 HA TYR A 67 21.056 3.085 -4.351 1.00 70.14 H new ATOM 0 HB2 TYR A 67 20.821 1.694 -2.276 1.00 71.01 H new ATOM 0 HB3 TYR A 67 19.350 0.978 -2.905 1.00 71.01 H new ATOM 0 HD1 TYR A 67 22.409 1.594 -4.915 1.00 73.53 H new ATOM 0 HD2 TYR A 67 20.040 -1.306 -2.881 1.00 25.24 H new ATOM 0 HE1 TYR A 67 23.760 -0.264 -5.978 1.00 50.13 H new ATOM 0 HE2 TYR A 67 21.401 -3.156 -3.951 1.00 12.44 H new ATOM 0 HH TYR A 67 23.195 -3.618 -5.101 1.00 1.15 H new ATOM 1024 N LEU A 68 18.179 2.451 -5.520 1.00 3.24 N ATOM 1025 CA LEU A 68 17.426 2.083 -6.708 1.00 35.25 C ATOM 1026 C LEU A 68 17.647 3.139 -7.793 1.00 53.11 C ATOM 1027 O LEU A 68 17.740 2.810 -8.974 1.00 15.43 O ATOM 1028 CB LEU A 68 15.954 1.857 -6.360 1.00 63.11 C ATOM 1029 CG LEU A 68 15.596 0.466 -5.832 1.00 65.23 C ATOM 1030 CD1 LEU A 68 14.081 0.311 -5.678 1.00 12.31 C ATOM 1031 CD2 LEU A 68 16.197 -0.628 -6.716 1.00 71.44 C ATOM 0 H LEU A 68 17.643 2.955 -4.814 1.00 3.24 H new ATOM 0 HA LEU A 68 17.784 1.134 -7.108 1.00 35.25 H new ATOM 0 HB2 LEU A 68 15.660 2.594 -5.613 1.00 63.11 H new ATOM 0 HB3 LEU A 68 15.357 2.051 -7.251 1.00 63.11 H new ATOM 0 HG LEU A 68 16.034 0.354 -4.840 1.00 65.23 H new ATOM 0 HD11 LEU A 68 13.854 -0.686 -5.301 1.00 12.31 H new ATOM 0 HD12 LEU A 68 13.708 1.057 -4.977 1.00 12.31 H new ATOM 0 HD13 LEU A 68 13.601 0.451 -6.646 1.00 12.31 H new ATOM 0 HD21 LEU A 68 15.927 -1.606 -6.318 1.00 71.44 H new ATOM 0 HD22 LEU A 68 15.810 -0.530 -7.730 1.00 71.44 H new ATOM 0 HD23 LEU A 68 17.282 -0.529 -6.730 1.00 71.44 H new ATOM 1043 N GLU A 69 17.724 4.387 -7.353 1.00 15.25 N ATOM 1044 CA GLU A 69 17.930 5.493 -8.272 1.00 72.12 C ATOM 1045 C GLU A 69 19.134 5.214 -9.174 1.00 22.31 C ATOM 1046 O GLU A 69 19.134 5.588 -10.347 1.00 70.33 O ATOM 1047 CB GLU A 69 18.107 6.810 -7.514 1.00 51.12 C ATOM 1048 CG GLU A 69 18.680 7.896 -8.426 1.00 33.34 C ATOM 1049 CD GLU A 69 18.553 9.278 -7.782 1.00 54.43 C ATOM 1050 OE1 GLU A 69 17.995 10.199 -8.396 1.00 2.44 O ATOM 1051 OE2 GLU A 69 19.058 9.376 -6.598 1.00 3.24 O1- ATOM 0 H GLU A 69 17.647 4.656 -6.372 1.00 15.25 H new ATOM 0 HA GLU A 69 17.044 5.589 -8.899 1.00 72.12 H new ATOM 0 HB2 GLU A 69 17.146 7.135 -7.114 1.00 51.12 H new ATOM 0 HB3 GLU A 69 18.771 6.657 -6.663 1.00 51.12 H new ATOM 0 HG2 GLU A 69 19.728 7.684 -8.635 1.00 33.34 H new ATOM 0 HG3 GLU A 69 18.156 7.887 -9.382 1.00 33.34 H new ATOM 1059 N ASN A 70 20.131 4.562 -8.595 1.00 1.34 N ATOM 1060 CA ASN A 70 21.338 4.229 -9.332 1.00 62.35 C ATOM 1061 C ASN A 70 22.200 3.285 -8.491 1.00 55.43 C ATOM 1062 O ASN A 70 23.130 3.725 -7.817 1.00 45.53 O ATOM 1063 CB ASN A 70 22.162 5.483 -9.633 1.00 44.13 C ATOM 1064 CG ASN A 70 21.607 6.225 -10.850 1.00 34.34 C ATOM 1065 OD1 ASN A 70 21.185 7.367 -10.773 1.00 35.54 O ATOM 1066 ND2 ASN A 70 21.631 5.515 -11.974 1.00 0.54 N ATOM 0 H ASN A 70 20.128 4.255 -7.622 1.00 1.34 H new ATOM 0 HA ASN A 70 21.043 3.758 -10.270 1.00 62.35 H new ATOM 0 HB2 ASN A 70 22.155 6.143 -8.766 1.00 44.13 H new ATOM 0 HB3 ASN A 70 23.200 5.205 -9.814 1.00 44.13 H new ATOM 0 HD21 ASN A 70 21.282 5.922 -12.842 1.00 0.54 H new ATOM 0 HD22 ASN A 70 21.998 4.563 -11.968 1.00 0.54 H new ATOM 1073 N PRO A 71 21.851 1.973 -8.561 1.00 54.04 N ATOM 1074 CA PRO A 71 22.584 0.964 -7.814 1.00 32.44 C ATOM 1075 C PRO A 71 23.937 0.674 -8.465 1.00 41.31 C ATOM 1076 O PRO A 71 24.701 -0.156 -7.975 1.00 74.34 O ATOM 1077 CB PRO A 71 21.666 -0.248 -7.786 1.00 13.22 C ATOM 1078 CG PRO A 71 20.660 -0.035 -8.906 1.00 74.42 C ATOM 1079 CD PRO A 71 20.755 1.416 -9.348 1.00 62.30 C ATOM 0 HA PRO A 71 22.829 1.286 -6.802 1.00 32.44 H new ATOM 0 HB2 PRO A 71 22.230 -1.169 -7.937 1.00 13.22 H new ATOM 0 HB3 PRO A 71 21.165 -0.336 -6.822 1.00 13.22 H new ATOM 0 HG2 PRO A 71 20.871 -0.703 -9.741 1.00 74.42 H new ATOM 0 HG3 PRO A 71 19.651 -0.264 -8.562 1.00 74.42 H new ATOM 0 HD2 PRO A 71 20.956 1.492 -10.417 1.00 62.30 H new ATOM 0 HD3 PRO A 71 19.823 1.949 -9.161 1.00 62.30 H new ATOM 1087 N LYS A 72 24.194 1.376 -9.559 1.00 40.44 N ATOM 1088 CA LYS A 72 25.442 1.204 -10.282 1.00 22.32 C ATOM 1089 C LYS A 72 26.520 2.083 -9.646 1.00 63.53 C ATOM 1090 O LYS A 72 27.712 1.859 -9.854 1.00 45.42 O ATOM 1091 CB LYS A 72 25.237 1.467 -11.776 1.00 54.30 C ATOM 1092 CG LYS A 72 26.293 0.742 -12.611 1.00 41.01 C ATOM 1093 CD LYS A 72 25.933 0.771 -14.098 1.00 72.43 C ATOM 1094 CE LYS A 72 25.020 -0.401 -14.464 1.00 51.53 C ATOM 1095 NZ LYS A 72 24.415 -0.190 -15.798 1.00 51.14 N1+ ATOM 0 H LYS A 72 23.559 2.065 -9.962 1.00 40.44 H new ATOM 0 HA LYS A 72 25.786 0.172 -10.208 1.00 22.32 H new ATOM 0 HB2 LYS A 72 24.242 1.135 -12.074 1.00 54.30 H new ATOM 0 HB3 LYS A 72 25.287 2.538 -11.970 1.00 54.30 H new ATOM 0 HG2 LYS A 72 27.266 1.210 -12.460 1.00 41.01 H new ATOM 0 HG3 LYS A 72 26.381 -0.291 -12.275 1.00 41.01 H new ATOM 0 HD2 LYS A 72 25.437 1.712 -14.337 1.00 72.43 H new ATOM 0 HD3 LYS A 72 26.843 0.729 -14.697 1.00 72.43 H new ATOM 0 HE2 LYS A 72 25.591 -1.329 -14.460 1.00 51.53 H new ATOM 0 HE3 LYS A 72 24.235 -0.506 -13.715 1.00 51.53 H new ATOM 0 HZ1 LYS A 72 23.409 -0.451 -15.768 1.00 51.14 H new ATOM 0 HZ2 LYS A 72 24.505 0.811 -16.066 1.00 51.14 H new ATOM 0 HZ3 LYS A 72 24.905 -0.782 -16.499 1.00 51.14 H new ATOM 1108 N LYS A 73 26.062 3.066 -8.884 1.00 4.23 N ATOM 1109 CA LYS A 73 26.973 3.981 -8.215 1.00 34.14 C ATOM 1110 C LYS A 73 27.230 3.487 -6.790 1.00 2.10 C ATOM 1111 O LYS A 73 28.379 3.343 -6.376 1.00 35.44 O ATOM 1112 CB LYS A 73 26.441 5.413 -8.284 1.00 1.20 C ATOM 1113 CG LYS A 73 26.070 5.792 -9.719 1.00 32.13 C ATOM 1114 CD LYS A 73 25.298 7.112 -9.755 1.00 55.50 C ATOM 1115 CE LYS A 73 25.296 7.708 -11.165 1.00 5.11 C ATOM 1116 NZ LYS A 73 26.545 8.462 -11.410 1.00 51.34 N1+ ATOM 0 H LYS A 73 25.073 3.249 -8.715 1.00 4.23 H new ATOM 0 HA LYS A 73 27.937 4.000 -8.724 1.00 34.14 H new ATOM 0 HB2 LYS A 73 25.567 5.511 -7.641 1.00 1.20 H new ATOM 0 HB3 LYS A 73 27.195 6.103 -7.905 1.00 1.20 H new ATOM 0 HG2 LYS A 73 26.974 5.879 -10.321 1.00 32.13 H new ATOM 0 HG3 LYS A 73 25.466 5.001 -10.163 1.00 32.13 H new ATOM 0 HD2 LYS A 73 24.272 6.947 -9.425 1.00 55.50 H new ATOM 0 HD3 LYS A 73 25.747 7.819 -9.058 1.00 55.50 H new ATOM 0 HE2 LYS A 73 25.194 6.912 -11.903 1.00 5.11 H new ATOM 0 HE3 LYS A 73 24.436 8.367 -11.286 1.00 5.11 H new ATOM 0 HZ1 LYS A 73 26.528 8.860 -12.371 1.00 51.34 H new ATOM 0 HZ2 LYS A 73 26.626 9.233 -10.717 1.00 51.34 H new ATOM 0 HZ3 LYS A 73 27.360 7.824 -11.314 1.00 51.34 H new ATOM 1129 N TYR A 74 26.139 3.242 -6.078 1.00 21.02 N ATOM 1130 CA TYR A 74 26.232 2.767 -4.707 1.00 11.41 C ATOM 1131 C TYR A 74 27.335 1.718 -4.564 1.00 42.23 C ATOM 1132 O TYR A 74 27.929 1.578 -3.495 1.00 73.43 O ATOM 1133 CB TYR A 74 24.882 2.117 -4.395 1.00 34.24 C ATOM 1134 CG TYR A 74 24.566 2.029 -2.901 1.00 13.51 C ATOM 1135 CD1 TYR A 74 25.340 1.236 -2.078 1.00 0.20 C ATOM 1136 CD2 TYR A 74 23.507 2.741 -2.375 1.00 55.13 C ATOM 1137 CE1 TYR A 74 25.043 1.151 -0.671 1.00 65.02 C ATOM 1138 CE2 TYR A 74 23.210 2.656 -0.968 1.00 30.14 C ATOM 1139 CZ TYR A 74 23.992 1.866 -0.186 1.00 60.53 C ATOM 1140 OH TYR A 74 23.711 1.787 1.142 1.00 63.13 O ATOM 0 H TYR A 74 25.187 3.363 -6.424 1.00 21.02 H new ATOM 0 HA TYR A 74 26.467 3.589 -4.031 1.00 11.41 H new ATOM 0 HB2 TYR A 74 24.094 2.684 -4.890 1.00 34.24 H new ATOM 0 HB3 TYR A 74 24.867 1.113 -4.819 1.00 34.24 H new ATOM 0 HD1 TYR A 74 26.169 0.679 -2.489 1.00 0.20 H new ATOM 0 HD2 TYR A 74 22.901 3.362 -3.018 1.00 55.13 H new ATOM 0 HE1 TYR A 74 25.641 0.534 -0.016 1.00 65.02 H new ATOM 0 HE2 TYR A 74 22.384 3.208 -0.544 1.00 30.14 H new ATOM 0 HH TYR A 74 22.936 2.351 1.346 1.00 63.13 H new ATOM 1150 N ILE A 75 27.576 1.006 -5.655 1.00 35.22 N ATOM 1151 CA ILE A 75 28.599 -0.027 -5.664 1.00 2.31 C ATOM 1152 C ILE A 75 29.291 -0.041 -7.028 1.00 30.40 C ATOM 1153 O ILE A 75 28.862 -0.748 -7.939 1.00 3.45 O ATOM 1154 CB ILE A 75 28.000 -1.377 -5.264 1.00 64.10 C ATOM 1155 CG1 ILE A 75 27.165 -1.250 -3.987 1.00 71.04 C ATOM 1156 CG2 ILE A 75 29.089 -2.444 -5.133 1.00 52.55 C ATOM 1157 CD1 ILE A 75 26.835 -2.627 -3.409 1.00 1.01 C ATOM 0 H ILE A 75 27.081 1.124 -6.539 1.00 35.22 H new ATOM 0 HA ILE A 75 29.365 0.189 -4.920 1.00 2.31 H new ATOM 0 HB ILE A 75 27.327 -1.700 -6.058 1.00 64.10 H new ATOM 0 HG12 ILE A 75 27.711 -0.663 -3.248 1.00 71.04 H new ATOM 0 HG13 ILE A 75 26.242 -0.712 -4.204 1.00 71.04 H new ATOM 0 HG21 ILE A 75 28.636 -3.393 -4.848 1.00 52.55 H new ATOM 0 HG22 ILE A 75 29.602 -2.559 -6.088 1.00 52.55 H new ATOM 0 HG23 ILE A 75 29.806 -2.141 -4.370 1.00 52.55 H new ATOM 0 HD11 ILE A 75 26.241 -2.508 -2.503 1.00 1.01 H new ATOM 0 HD12 ILE A 75 26.269 -3.203 -4.141 1.00 1.01 H new ATOM 0 HD13 ILE A 75 27.760 -3.153 -3.171 1.00 1.01 H new ATOM 1169 N PRO A 76 30.380 0.767 -7.129 1.00 75.43 N ATOM 1170 CA PRO A 76 31.136 0.855 -8.366 1.00 60.41 C ATOM 1171 C PRO A 76 32.000 -0.392 -8.569 1.00 71.21 C ATOM 1172 O PRO A 76 32.868 -0.691 -7.749 1.00 23.43 O ATOM 1173 CB PRO A 76 31.953 2.130 -8.239 1.00 52.32 C ATOM 1174 CG PRO A 76 31.979 2.462 -6.756 1.00 32.44 C ATOM 1175 CD PRO A 76 30.918 1.618 -6.070 1.00 2.31 C ATOM 0 HA PRO A 76 30.497 0.895 -9.248 1.00 60.41 H new ATOM 0 HB2 PRO A 76 32.962 1.987 -8.625 1.00 52.32 H new ATOM 0 HB3 PRO A 76 31.504 2.941 -8.813 1.00 52.32 H new ATOM 0 HG2 PRO A 76 32.963 2.254 -6.336 1.00 32.44 H new ATOM 0 HG3 PRO A 76 31.783 3.523 -6.599 1.00 32.44 H new ATOM 0 HD2 PRO A 76 31.346 1.023 -5.263 1.00 2.31 H new ATOM 0 HD3 PRO A 76 30.140 2.241 -5.629 1.00 2.31 H new ATOM 1183 N GLY A 77 31.734 -1.086 -9.666 1.00 41.14 N ATOM 1184 CA GLY A 77 32.477 -2.293 -9.987 1.00 61.20 C ATOM 1185 C GLY A 77 31.673 -3.543 -9.625 1.00 2.42 C ATOM 1186 O GLY A 77 32.217 -4.647 -9.591 1.00 31.14 O ATOM 0 H GLY A 77 31.014 -0.835 -10.344 1.00 41.14 H new ATOM 0 HA2 GLY A 77 32.716 -2.305 -11.050 1.00 61.20 H new ATOM 0 HA3 GLY A 77 33.424 -2.296 -9.447 1.00 61.20 H new ATOM 1190 N THR A 78 30.392 -3.330 -9.362 1.00 45.32 N ATOM 1191 CA THR A 78 29.508 -4.426 -9.004 1.00 52.32 C ATOM 1192 C THR A 78 29.035 -5.161 -10.259 1.00 15.00 C ATOM 1193 O THR A 78 29.331 -4.743 -11.378 1.00 74.51 O ATOM 1194 CB THR A 78 28.364 -3.856 -8.165 1.00 44.04 C ATOM 1195 OG1 THR A 78 27.701 -5.008 -7.652 1.00 51.42 O ATOM 1196 CG2 THR A 78 27.299 -3.165 -9.020 1.00 71.52 C ATOM 0 H THR A 78 29.945 -2.414 -9.390 1.00 45.32 H new ATOM 0 HA THR A 78 30.027 -5.174 -8.405 1.00 52.32 H new ATOM 0 HB THR A 78 28.765 -3.148 -7.440 1.00 44.04 H new ATOM 0 HG1 THR A 78 26.945 -4.729 -7.094 1.00 51.42 H new ATOM 0 HG21 THR A 78 26.510 -2.778 -8.375 1.00 71.52 H new ATOM 0 HG22 THR A 78 27.753 -2.342 -9.572 1.00 71.52 H new ATOM 0 HG23 THR A 78 26.875 -3.882 -9.723 1.00 71.52 H new ATOM 1204 N LYS A 79 28.305 -6.243 -10.032 1.00 35.35 N ATOM 1205 CA LYS A 79 27.787 -7.041 -11.131 1.00 23.13 C ATOM 1206 C LYS A 79 26.349 -6.612 -11.432 1.00 32.14 C ATOM 1207 O LYS A 79 25.812 -6.932 -12.492 1.00 61.34 O ATOM 1208 CB LYS A 79 27.932 -8.533 -10.825 1.00 4.04 C ATOM 1209 CG LYS A 79 29.208 -8.808 -10.028 1.00 33.42 C ATOM 1210 CD LYS A 79 29.718 -10.228 -10.281 1.00 24.30 C ATOM 1211 CE LYS A 79 29.105 -11.216 -9.286 1.00 10.21 C ATOM 1212 NZ LYS A 79 29.025 -12.568 -9.881 1.00 45.34 N1+ ATOM 0 H LYS A 79 28.060 -6.586 -9.103 1.00 35.35 H new ATOM 0 HA LYS A 79 28.369 -6.867 -12.036 1.00 23.13 H new ATOM 0 HB2 LYS A 79 27.065 -8.878 -10.261 1.00 4.04 H new ATOM 0 HB3 LYS A 79 27.952 -9.099 -11.757 1.00 4.04 H new ATOM 0 HG2 LYS A 79 29.977 -8.087 -10.306 1.00 33.42 H new ATOM 0 HG3 LYS A 79 29.013 -8.672 -8.964 1.00 33.42 H new ATOM 0 HD2 LYS A 79 29.471 -10.531 -11.299 1.00 24.30 H new ATOM 0 HD3 LYS A 79 30.805 -10.248 -10.197 1.00 24.30 H new ATOM 0 HE2 LYS A 79 29.707 -11.247 -8.378 1.00 10.21 H new ATOM 0 HE3 LYS A 79 28.109 -10.880 -8.997 1.00 10.21 H new ATOM 0 HZ1 LYS A 79 28.245 -13.096 -9.440 1.00 45.34 H new ATOM 0 HZ2 LYS A 79 28.855 -12.488 -10.904 1.00 45.34 H new ATOM 0 HZ3 LYS A 79 29.920 -13.073 -9.718 1.00 45.34 H new ATOM 1225 N MET A 80 25.768 -5.895 -10.483 1.00 75.05 N ATOM 1226 CA MET A 80 24.403 -5.419 -10.634 1.00 44.10 C ATOM 1227 C MET A 80 24.223 -4.683 -11.963 1.00 15.21 C ATOM 1228 O MET A 80 24.732 -3.577 -12.139 1.00 11.50 O ATOM 1229 CB MET A 80 24.060 -4.476 -9.479 1.00 41.23 C ATOM 1230 CG MET A 80 22.618 -3.977 -9.588 1.00 12.33 C ATOM 1231 SD MET A 80 21.522 -5.077 -8.707 1.00 55.50 S ATOM 1232 CE MET A 80 20.920 -3.969 -7.444 1.00 4.13 C ATOM 0 H MET A 80 26.217 -5.631 -9.606 1.00 75.05 H new ATOM 0 HA MET A 80 23.735 -6.280 -10.623 1.00 44.10 H new ATOM 0 HB2 MET A 80 24.199 -4.993 -8.529 1.00 41.23 H new ATOM 0 HB3 MET A 80 24.744 -3.627 -9.483 1.00 41.23 H new ATOM 0 HG2 MET A 80 22.541 -2.970 -9.179 1.00 12.33 H new ATOM 0 HG3 MET A 80 22.323 -3.919 -10.636 1.00 12.33 H new ATOM 0 HE1 MET A 80 19.848 -4.117 -7.310 1.00 4.13 H new ATOM 0 HE2 MET A 80 21.435 -4.174 -6.505 1.00 4.13 H new ATOM 0 HE3 MET A 80 21.109 -2.938 -7.744 1.00 4.13 H new ATOM 1242 N ILE A 81 23.497 -5.327 -12.866 1.00 73.13 N ATOM 1243 CA ILE A 81 23.243 -4.748 -14.174 1.00 63.41 C ATOM 1244 C ILE A 81 21.916 -3.987 -14.141 1.00 63.43 C ATOM 1245 O ILE A 81 20.937 -4.414 -14.752 1.00 21.32 O ATOM 1246 CB ILE A 81 23.308 -5.825 -15.258 1.00 65.11 C ATOM 1247 CG1 ILE A 81 24.526 -6.729 -15.061 1.00 3.45 C ATOM 1248 CG2 ILE A 81 23.279 -5.200 -16.655 1.00 43.10 C ATOM 1249 CD1 ILE A 81 25.810 -5.904 -14.948 1.00 64.30 C ATOM 0 H ILE A 81 23.077 -6.244 -12.717 1.00 73.13 H new ATOM 0 HA ILE A 81 24.019 -4.026 -14.428 1.00 63.41 H new ATOM 0 HB ILE A 81 22.422 -6.454 -15.167 1.00 65.11 H new ATOM 0 HG12 ILE A 81 24.395 -7.330 -14.161 1.00 3.45 H new ATOM 0 HG13 ILE A 81 24.608 -7.422 -15.898 1.00 3.45 H new ATOM 0 HG21 ILE A 81 23.326 -5.988 -17.407 1.00 43.10 H new ATOM 0 HG22 ILE A 81 22.357 -4.633 -16.781 1.00 43.10 H new ATOM 0 HG23 ILE A 81 24.133 -4.534 -16.773 1.00 43.10 H new ATOM 0 HD11 ILE A 81 26.660 -6.572 -14.809 1.00 64.30 H new ATOM 0 HD12 ILE A 81 25.951 -5.323 -15.859 1.00 64.30 H new ATOM 0 HD13 ILE A 81 25.735 -5.229 -14.095 1.00 64.30 H new ATOM 1261 N PHE A 82 21.926 -2.874 -13.422 1.00 51.30 N ATOM 1262 CA PHE A 82 20.736 -2.050 -13.303 1.00 2.04 C ATOM 1263 C PHE A 82 21.102 -0.568 -13.205 1.00 11.53 C ATOM 1264 O PHE A 82 21.935 -0.183 -12.385 1.00 33.35 O ATOM 1265 CB PHE A 82 20.027 -2.473 -12.014 1.00 11.41 C ATOM 1266 CG PHE A 82 18.574 -2.002 -11.920 1.00 52.20 C ATOM 1267 CD1 PHE A 82 17.770 -2.055 -13.016 1.00 24.33 C ATOM 1268 CD2 PHE A 82 18.087 -1.531 -10.740 1.00 64.53 C ATOM 1269 CE1 PHE A 82 16.421 -1.618 -12.928 1.00 21.13 C ATOM 1270 CE2 PHE A 82 16.739 -1.095 -10.653 1.00 62.32 C ATOM 1271 CZ PHE A 82 15.935 -1.147 -11.749 1.00 52.30 C ATOM 0 H PHE A 82 22.740 -2.524 -12.916 1.00 51.30 H new ATOM 0 HA PHE A 82 20.102 -2.183 -14.180 1.00 2.04 H new ATOM 0 HB2 PHE A 82 20.052 -3.560 -11.938 1.00 11.41 H new ATOM 0 HB3 PHE A 82 20.581 -2.081 -11.161 1.00 11.41 H new ATOM 0 HD1 PHE A 82 18.157 -2.429 -13.952 1.00 24.33 H new ATOM 0 HD2 PHE A 82 18.726 -1.489 -9.870 1.00 64.53 H new ATOM 0 HE1 PHE A 82 15.782 -1.660 -13.798 1.00 21.13 H new ATOM 0 HE2 PHE A 82 16.352 -0.722 -9.716 1.00 62.32 H new ATOM 0 HZ PHE A 82 14.910 -0.814 -11.682 1.00 52.30 H new ATOM 1281 N VAL A 83 20.463 0.224 -14.054 1.00 11.14 N ATOM 1282 CA VAL A 83 20.711 1.656 -14.073 1.00 50.45 C ATOM 1283 C VAL A 83 19.789 2.344 -13.064 1.00 64.23 C ATOM 1284 O VAL A 83 20.014 3.496 -12.698 1.00 22.41 O ATOM 1285 CB VAL A 83 20.548 2.196 -15.495 1.00 72.20 C ATOM 1286 CG1 VAL A 83 21.575 1.569 -16.441 1.00 12.30 C ATOM 1287 CG2 VAL A 83 19.124 1.972 -16.007 1.00 22.20 C ATOM 0 H VAL A 83 19.774 -0.099 -14.734 1.00 11.14 H new ATOM 0 HA VAL A 83 21.737 1.869 -13.773 1.00 50.45 H new ATOM 0 HB VAL A 83 20.729 3.270 -15.468 1.00 72.20 H new ATOM 0 HG11 VAL A 83 21.437 1.970 -17.445 1.00 12.30 H new ATOM 0 HG12 VAL A 83 22.581 1.802 -16.092 1.00 12.30 H new ATOM 0 HG13 VAL A 83 21.439 0.488 -16.460 1.00 12.30 H new ATOM 0 HG21 VAL A 83 19.035 2.365 -17.020 1.00 22.20 H new ATOM 0 HG22 VAL A 83 18.903 0.905 -16.011 1.00 22.20 H new ATOM 0 HG23 VAL A 83 18.418 2.486 -15.355 1.00 22.20 H new ATOM 1297 N GLY A 84 18.772 1.606 -12.642 1.00 42.12 N ATOM 1298 CA GLY A 84 17.815 2.131 -11.683 1.00 22.32 C ATOM 1299 C GLY A 84 16.564 2.659 -12.388 1.00 4.23 C ATOM 1300 O GLY A 84 16.553 2.809 -13.609 1.00 44.21 O ATOM 0 H GLY A 84 18.590 0.650 -12.947 1.00 42.12 H new ATOM 0 HA2 GLY A 84 17.536 1.349 -10.977 1.00 22.32 H new ATOM 0 HA3 GLY A 84 18.276 2.932 -11.105 1.00 22.32 H new ATOM 1304 N ILE A 85 15.543 2.928 -11.589 1.00 0.21 N ATOM 1305 CA ILE A 85 14.289 3.436 -12.122 1.00 22.34 C ATOM 1306 C ILE A 85 14.238 4.954 -11.931 1.00 73.43 C ATOM 1307 O ILE A 85 15.057 5.520 -11.208 1.00 55.21 O ATOM 1308 CB ILE A 85 13.104 2.698 -11.499 1.00 13.11 C ATOM 1309 CG1 ILE A 85 13.371 1.193 -11.426 1.00 31.10 C ATOM 1310 CG2 ILE A 85 11.806 3.014 -12.246 1.00 13.43 C ATOM 1311 CD1 ILE A 85 14.024 0.816 -10.094 1.00 71.13 C ATOM 0 H ILE A 85 15.557 2.804 -10.577 1.00 0.21 H new ATOM 0 HA ILE A 85 14.225 3.246 -13.193 1.00 22.34 H new ATOM 0 HB ILE A 85 12.981 3.053 -10.476 1.00 13.11 H new ATOM 0 HG12 ILE A 85 12.434 0.648 -11.543 1.00 31.10 H new ATOM 0 HG13 ILE A 85 14.019 0.895 -12.250 1.00 31.10 H new ATOM 0 HG21 ILE A 85 10.979 2.476 -11.782 1.00 13.43 H new ATOM 0 HG22 ILE A 85 11.612 4.086 -12.201 1.00 13.43 H new ATOM 0 HG23 ILE A 85 11.901 2.705 -13.287 1.00 13.43 H new ATOM 0 HD11 ILE A 85 14.203 -0.259 -10.068 1.00 71.13 H new ATOM 0 HD12 ILE A 85 14.972 1.344 -9.991 1.00 71.13 H new ATOM 0 HD13 ILE A 85 13.363 1.094 -9.273 1.00 71.13 H new ATOM 1323 N LYS A 86 13.269 5.568 -12.592 1.00 70.13 N ATOM 1324 CA LYS A 86 13.100 7.009 -12.504 1.00 52.41 C ATOM 1325 C LYS A 86 11.893 7.324 -11.617 1.00 72.24 C ATOM 1326 O LYS A 86 12.043 7.908 -10.545 1.00 12.14 O ATOM 1327 CB LYS A 86 13.013 7.624 -13.903 1.00 14.22 C ATOM 1328 CG LYS A 86 13.427 9.097 -13.880 1.00 24.43 C ATOM 1329 CD LYS A 86 12.231 9.998 -13.571 1.00 71.23 C ATOM 1330 CE LYS A 86 12.689 11.344 -13.005 1.00 51.35 C ATOM 1331 NZ LYS A 86 12.989 12.292 -14.102 1.00 32.04 N1+ ATOM 0 H LYS A 86 12.592 5.095 -13.191 1.00 70.13 H new ATOM 0 HA LYS A 86 13.970 7.467 -12.033 1.00 52.41 H new ATOM 0 HB2 LYS A 86 13.657 7.072 -14.588 1.00 14.22 H new ATOM 0 HB3 LYS A 86 11.995 7.534 -14.281 1.00 14.22 H new ATOM 0 HG2 LYS A 86 14.204 9.248 -13.131 1.00 24.43 H new ATOM 0 HG3 LYS A 86 13.855 9.373 -14.844 1.00 24.43 H new ATOM 0 HD2 LYS A 86 11.650 10.160 -14.479 1.00 71.23 H new ATOM 0 HD3 LYS A 86 11.574 9.503 -12.856 1.00 71.23 H new ATOM 0 HE2 LYS A 86 11.913 11.758 -12.361 1.00 51.35 H new ATOM 0 HE3 LYS A 86 13.575 11.203 -12.386 1.00 51.35 H new ATOM 0 HZ1 LYS A 86 13.298 13.200 -13.701 1.00 32.04 H new ATOM 0 HZ2 LYS A 86 13.745 11.902 -14.701 1.00 32.04 H new ATOM 0 HZ3 LYS A 86 12.135 12.440 -14.676 1.00 32.04 H new ATOM 1344 N LYS A 87 10.725 6.923 -12.099 1.00 51.43 N ATOM 1345 CA LYS A 87 9.494 7.156 -11.363 1.00 71.11 C ATOM 1346 C LYS A 87 9.694 6.749 -9.901 1.00 30.25 C ATOM 1347 O LYS A 87 10.175 5.654 -9.618 1.00 52.34 O ATOM 1348 CB LYS A 87 8.322 6.446 -12.043 1.00 51.42 C ATOM 1349 CG LYS A 87 7.755 7.293 -13.184 1.00 42.12 C ATOM 1350 CD LYS A 87 6.695 8.267 -12.668 1.00 3.45 C ATOM 1351 CE LYS A 87 6.468 9.409 -13.662 1.00 15.15 C ATOM 1352 NZ LYS A 87 5.999 8.877 -14.962 1.00 2.13 N1+ ATOM 0 H LYS A 87 10.606 6.439 -12.989 1.00 51.43 H new ATOM 0 HA LYS A 87 9.242 8.216 -11.368 1.00 71.11 H new ATOM 0 HB2 LYS A 87 8.651 5.482 -12.430 1.00 51.42 H new ATOM 0 HB3 LYS A 87 7.540 6.245 -11.311 1.00 51.42 H new ATOM 0 HG2 LYS A 87 8.561 7.848 -13.665 1.00 42.12 H new ATOM 0 HG3 LYS A 87 7.319 6.643 -13.942 1.00 42.12 H new ATOM 0 HD2 LYS A 87 5.759 7.735 -12.500 1.00 3.45 H new ATOM 0 HD3 LYS A 87 7.008 8.674 -11.706 1.00 3.45 H new ATOM 0 HE2 LYS A 87 5.733 10.107 -13.261 1.00 15.15 H new ATOM 0 HE3 LYS A 87 7.394 9.966 -13.803 1.00 15.15 H new ATOM 0 HZ1 LYS A 87 5.705 9.665 -15.574 1.00 2.13 H new ATOM 0 HZ2 LYS A 87 6.771 8.352 -15.421 1.00 2.13 H new ATOM 0 HZ3 LYS A 87 5.192 8.240 -14.806 1.00 2.13 H new ATOM 1365 N LYS A 88 9.316 7.657 -9.012 1.00 73.34 N ATOM 1366 CA LYS A 88 9.448 7.407 -7.586 1.00 10.55 C ATOM 1367 C LYS A 88 8.359 6.427 -7.142 1.00 15.32 C ATOM 1368 O LYS A 88 8.583 5.607 -6.253 1.00 51.24 O ATOM 1369 CB LYS A 88 9.444 8.724 -6.810 1.00 73.43 C ATOM 1370 CG LYS A 88 10.296 9.780 -7.516 1.00 35.34 C ATOM 1371 CD LYS A 88 10.644 10.930 -6.568 1.00 1.31 C ATOM 1372 CE LYS A 88 11.951 10.649 -5.824 1.00 44.14 C ATOM 1373 NZ LYS A 88 11.709 9.759 -4.667 1.00 21.31 N1+ ATOM 0 H LYS A 88 8.919 8.566 -9.251 1.00 73.34 H new ATOM 0 HA LYS A 88 10.407 6.938 -7.368 1.00 10.55 H new ATOM 0 HB2 LYS A 88 8.421 9.086 -6.707 1.00 73.43 H new ATOM 0 HB3 LYS A 88 9.826 8.558 -5.803 1.00 73.43 H new ATOM 0 HG2 LYS A 88 11.212 9.322 -7.890 1.00 35.34 H new ATOM 0 HG3 LYS A 88 9.758 10.168 -8.381 1.00 35.34 H new ATOM 0 HD2 LYS A 88 10.735 11.857 -7.133 1.00 1.31 H new ATOM 0 HD3 LYS A 88 9.836 11.072 -5.850 1.00 1.31 H new ATOM 0 HE2 LYS A 88 12.670 10.187 -6.501 1.00 44.14 H new ATOM 0 HE3 LYS A 88 12.391 11.586 -5.483 1.00 44.14 H new ATOM 0 HZ1 LYS A 88 12.401 9.966 -3.919 1.00 21.31 H new ATOM 0 HZ2 LYS A 88 10.748 9.916 -4.303 1.00 21.31 H new ATOM 0 HZ3 LYS A 88 11.808 8.768 -4.965 1.00 21.31 H new ATOM 1386 N GLU A 89 7.205 6.546 -7.780 1.00 4.13 N ATOM 1387 CA GLU A 89 6.081 5.681 -7.461 1.00 30.31 C ATOM 1388 C GLU A 89 6.434 4.222 -7.758 1.00 34.03 C ATOM 1389 O GLU A 89 6.129 3.333 -6.964 1.00 20.11 O ATOM 1390 CB GLU A 89 4.827 6.108 -8.227 1.00 13.22 C ATOM 1391 CG GLU A 89 3.560 5.741 -7.452 1.00 72.24 C ATOM 1392 CD GLU A 89 2.357 6.539 -7.957 1.00 43.14 C ATOM 1393 OE1 GLU A 89 2.497 7.724 -8.296 1.00 43.15 O ATOM 1394 OE2 GLU A 89 1.245 5.885 -7.992 1.00 73.44 O1- ATOM 0 H GLU A 89 7.023 7.228 -8.516 1.00 4.13 H new ATOM 0 HA GLU A 89 5.866 5.773 -6.396 1.00 30.31 H new ATOM 0 HB2 GLU A 89 4.852 7.184 -8.402 1.00 13.22 H new ATOM 0 HB3 GLU A 89 4.812 5.626 -9.205 1.00 13.22 H new ATOM 0 HG2 GLU A 89 3.362 4.674 -7.556 1.00 72.24 H new ATOM 0 HG3 GLU A 89 3.710 5.936 -6.390 1.00 72.24 H new ATOM 1402 N GLU A 90 7.071 4.020 -8.902 1.00 5.05 N ATOM 1403 CA GLU A 90 7.468 2.685 -9.312 1.00 64.24 C ATOM 1404 C GLU A 90 8.505 2.117 -8.340 1.00 42.35 C ATOM 1405 O GLU A 90 8.530 0.914 -8.085 1.00 45.31 O ATOM 1406 CB GLU A 90 8.004 2.687 -10.745 1.00 25.43 C ATOM 1407 CG GLU A 90 6.971 3.264 -11.715 1.00 31.10 C ATOM 1408 CD GLU A 90 5.562 2.778 -11.368 1.00 25.43 C ATOM 1409 OE1 GLU A 90 4.916 3.339 -10.472 1.00 53.11 O ATOM 1410 OE2 GLU A 90 5.141 1.781 -12.071 1.00 24.22 O1- ATOM 0 H GLU A 90 7.322 4.760 -9.558 1.00 5.05 H new ATOM 0 HA GLU A 90 6.587 2.043 -9.290 1.00 64.24 H new ATOM 0 HB2 GLU A 90 8.921 3.274 -10.793 1.00 25.43 H new ATOM 0 HB3 GLU A 90 8.260 1.670 -11.043 1.00 25.43 H new ATOM 0 HG2 GLU A 90 7.003 4.353 -11.680 1.00 31.10 H new ATOM 0 HG3 GLU A 90 7.220 2.970 -12.735 1.00 31.10 H new ATOM 1418 N ARG A 91 9.335 3.010 -7.823 1.00 31.35 N ATOM 1419 CA ARG A 91 10.372 2.614 -6.884 1.00 20.15 C ATOM 1420 C ARG A 91 9.753 2.250 -5.533 1.00 3.32 C ATOM 1421 O ARG A 91 10.210 1.320 -4.869 1.00 1.04 O ATOM 1422 CB ARG A 91 11.392 3.736 -6.685 1.00 14.11 C ATOM 1423 CG ARG A 91 12.492 3.675 -7.747 1.00 42.25 C ATOM 1424 CD ARG A 91 13.799 4.268 -7.220 1.00 41.32 C ATOM 1425 NE ARG A 91 13.642 5.723 -6.999 1.00 5.33 N ATOM 1426 CZ ARG A 91 13.565 6.635 -7.989 1.00 1.11 C ATOM 1427 NH1 ARG A 91 13.630 6.251 -9.282 1.00 41.21 N ATOM 1428 NH2 ARG A 91 13.425 7.910 -7.677 1.00 32.24 N1+ ATOM 0 H ARG A 91 9.311 4.007 -8.036 1.00 31.35 H new ATOM 0 HA ARG A 91 10.882 1.745 -7.300 1.00 20.15 H new ATOM 0 HB2 ARG A 91 10.889 4.702 -6.733 1.00 14.11 H new ATOM 0 HB3 ARG A 91 11.836 3.657 -5.692 1.00 14.11 H new ATOM 0 HG2 ARG A 91 12.654 2.640 -8.048 1.00 42.25 H new ATOM 0 HG3 ARG A 91 12.174 4.220 -8.636 1.00 42.25 H new ATOM 0 HD2 ARG A 91 14.080 3.778 -6.288 1.00 41.32 H new ATOM 0 HD3 ARG A 91 14.604 4.085 -7.932 1.00 41.32 H new ATOM 0 HE ARG A 91 13.589 6.057 -6.037 1.00 5.33 H new ATOM 0 HH11 ARG A 91 13.738 5.264 -9.516 1.00 41.21 H new ATOM 0 HH12 ARG A 91 13.571 6.948 -10.025 1.00 41.21 H new ATOM 0 HH21 ARG A 91 13.377 8.193 -6.698 1.00 32.24 H new ATOM 0 HH22 ARG A 91 13.365 8.612 -8.415 1.00 32.24 H new ATOM 1441 N ALA A 92 8.725 3.000 -5.167 1.00 43.14 N ATOM 1442 CA ALA A 92 8.040 2.768 -3.908 1.00 61.50 C ATOM 1443 C ALA A 92 7.427 1.366 -3.916 1.00 12.24 C ATOM 1444 O ALA A 92 7.782 0.524 -3.094 1.00 11.23 O ATOM 1445 CB ALA A 92 6.992 3.861 -3.687 1.00 62.14 C ATOM 0 H ALA A 92 8.350 3.770 -5.721 1.00 43.14 H new ATOM 0 HA ALA A 92 8.742 2.816 -3.075 1.00 61.50 H new ATOM 0 HB1 ALA A 92 6.478 3.686 -2.742 1.00 62.14 H new ATOM 0 HB2 ALA A 92 7.482 4.834 -3.659 1.00 62.14 H new ATOM 0 HB3 ALA A 92 6.269 3.842 -4.502 1.00 62.14 H new ATOM 1451 N ASP A 93 6.516 1.159 -4.856 1.00 75.33 N ATOM 1452 CA ASP A 93 5.850 -0.126 -4.984 1.00 73.40 C ATOM 1453 C ASP A 93 6.902 -1.234 -5.067 1.00 31.00 C ATOM 1454 O ASP A 93 6.864 -2.191 -4.293 1.00 62.34 O ATOM 1455 CB ASP A 93 5.002 -0.183 -6.255 1.00 62.14 C ATOM 1456 CG ASP A 93 3.698 0.614 -6.199 1.00 74.20 C ATOM 1457 OD1 ASP A 93 2.800 0.313 -5.397 1.00 71.11 O ATOM 1458 OD2 ASP A 93 3.621 1.594 -7.034 1.00 64.24 O1- ATOM 0 H ASP A 93 6.224 1.860 -5.536 1.00 75.33 H new ATOM 0 HA ASP A 93 5.206 -0.260 -4.115 1.00 73.40 H new ATOM 0 HB2 ASP A 93 5.600 0.185 -7.089 1.00 62.14 H new ATOM 0 HB3 ASP A 93 4.764 -1.225 -6.469 1.00 62.14 H new ATOM 1464 N LEU A 94 7.816 -1.069 -6.012 1.00 12.24 N ATOM 1465 CA LEU A 94 8.876 -2.044 -6.205 1.00 1.33 C ATOM 1466 C LEU A 94 9.507 -2.381 -4.853 1.00 21.32 C ATOM 1467 O LEU A 94 9.828 -3.536 -4.585 1.00 4.12 O ATOM 1468 CB LEU A 94 9.881 -1.542 -7.245 1.00 1.22 C ATOM 1469 CG LEU A 94 11.042 -2.486 -7.566 1.00 64.13 C ATOM 1470 CD1 LEU A 94 10.536 -3.779 -8.210 1.00 14.55 C ATOM 1471 CD2 LEU A 94 12.093 -1.788 -8.431 1.00 54.24 C ATOM 0 H LEU A 94 7.844 -0.275 -6.652 1.00 12.24 H new ATOM 0 HA LEU A 94 8.471 -2.973 -6.607 1.00 1.33 H new ATOM 0 HB2 LEU A 94 9.343 -1.332 -8.169 1.00 1.22 H new ATOM 0 HB3 LEU A 94 10.294 -0.596 -6.895 1.00 1.22 H new ATOM 0 HG LEU A 94 11.527 -2.761 -6.630 1.00 64.13 H new ATOM 0 HD11 LEU A 94 11.381 -4.432 -8.428 1.00 14.55 H new ATOM 0 HD12 LEU A 94 9.854 -4.284 -7.525 1.00 14.55 H new ATOM 0 HD13 LEU A 94 10.011 -3.543 -9.136 1.00 14.55 H new ATOM 0 HD21 LEU A 94 12.907 -2.481 -8.645 1.00 54.24 H new ATOM 0 HD22 LEU A 94 11.637 -1.464 -9.367 1.00 54.24 H new ATOM 0 HD23 LEU A 94 12.485 -0.921 -7.899 1.00 54.24 H new ATOM 1483 N ILE A 95 9.667 -1.349 -4.038 1.00 21.15 N ATOM 1484 CA ILE A 95 10.254 -1.520 -2.719 1.00 63.21 C ATOM 1485 C ILE A 95 9.220 -2.149 -1.783 1.00 63.41 C ATOM 1486 O ILE A 95 9.577 -2.872 -0.855 1.00 23.11 O ATOM 1487 CB ILE A 95 10.821 -0.195 -2.209 1.00 43.12 C ATOM 1488 CG1 ILE A 95 12.091 0.189 -2.971 1.00 32.14 C ATOM 1489 CG2 ILE A 95 11.053 -0.244 -0.697 1.00 73.02 C ATOM 1490 CD1 ILE A 95 12.575 1.582 -2.565 1.00 73.24 C ATOM 0 H ILE A 95 9.400 -0.391 -4.265 1.00 21.15 H new ATOM 0 HA ILE A 95 11.101 -2.205 -2.765 1.00 63.21 H new ATOM 0 HB ILE A 95 10.084 0.586 -2.397 1.00 43.12 H new ATOM 0 HG12 ILE A 95 12.873 -0.544 -2.773 1.00 32.14 H new ATOM 0 HG13 ILE A 95 11.897 0.166 -4.043 1.00 32.14 H new ATOM 0 HG21 ILE A 95 11.457 0.711 -0.360 1.00 73.02 H new ATOM 0 HG22 ILE A 95 10.108 -0.438 -0.190 1.00 73.02 H new ATOM 0 HG23 ILE A 95 11.760 -1.040 -0.463 1.00 73.02 H new ATOM 0 HD11 ILE A 95 13.479 1.830 -3.122 1.00 73.24 H new ATOM 0 HD12 ILE A 95 11.800 2.315 -2.787 1.00 73.24 H new ATOM 0 HD13 ILE A 95 12.792 1.595 -1.497 1.00 73.24 H new ATOM 1502 N ALA A 96 7.959 -1.849 -2.059 1.00 32.22 N ATOM 1503 CA ALA A 96 6.872 -2.375 -1.253 1.00 61.14 C ATOM 1504 C ALA A 96 6.802 -3.894 -1.426 1.00 33.13 C ATOM 1505 O ALA A 96 6.447 -4.613 -0.494 1.00 22.11 O ATOM 1506 CB ALA A 96 5.564 -1.684 -1.647 1.00 55.41 C ATOM 0 H ALA A 96 7.667 -1.248 -2.830 1.00 32.22 H new ATOM 0 HA ALA A 96 7.045 -2.171 -0.196 1.00 61.14 H new ATOM 0 HB1 ALA A 96 4.748 -2.079 -1.042 1.00 55.41 H new ATOM 0 HB2 ALA A 96 5.654 -0.611 -1.479 1.00 55.41 H new ATOM 0 HB3 ALA A 96 5.357 -1.870 -2.701 1.00 55.41 H new ATOM 1512 N TYR A 97 7.150 -4.337 -2.626 1.00 60.33 N ATOM 1513 CA TYR A 97 7.132 -5.757 -2.932 1.00 13.11 C ATOM 1514 C TYR A 97 8.481 -6.404 -2.614 1.00 22.34 C ATOM 1515 O TYR A 97 8.536 -7.552 -2.175 1.00 64.42 O ATOM 1516 CB TYR A 97 6.871 -5.860 -4.437 1.00 3.14 C ATOM 1517 CG TYR A 97 7.357 -7.169 -5.063 1.00 15.05 C ATOM 1518 CD1 TYR A 97 7.143 -8.367 -4.412 1.00 21.51 C ATOM 1519 CD2 TYR A 97 8.008 -7.152 -6.280 1.00 74.52 C ATOM 1520 CE1 TYR A 97 7.600 -9.599 -5.003 1.00 54.24 C ATOM 1521 CE2 TYR A 97 8.464 -8.384 -6.871 1.00 1.23 C ATOM 1522 CZ TYR A 97 8.238 -9.546 -6.202 1.00 73.54 C ATOM 1523 OH TYR A 97 8.669 -10.709 -6.760 1.00 60.45 O ATOM 0 H TYR A 97 7.446 -3.738 -3.397 1.00 60.33 H new ATOM 0 HA TYR A 97 6.373 -6.268 -2.340 1.00 13.11 H new ATOM 0 HB2 TYR A 97 5.801 -5.758 -4.618 1.00 3.14 H new ATOM 0 HB3 TYR A 97 7.361 -5.025 -4.939 1.00 3.14 H new ATOM 0 HD1 TYR A 97 6.633 -8.381 -3.460 1.00 21.51 H new ATOM 0 HD2 TYR A 97 8.176 -6.215 -6.789 1.00 74.52 H new ATOM 0 HE1 TYR A 97 7.439 -10.543 -4.504 1.00 54.24 H new ATOM 0 HE2 TYR A 97 8.974 -8.385 -7.823 1.00 1.23 H new ATOM 0 HH TYR A 97 9.317 -10.512 -7.469 1.00 60.45 H new ATOM 1533 N LEU A 98 9.537 -5.639 -2.850 1.00 52.20 N ATOM 1534 CA LEU A 98 10.884 -6.124 -2.594 1.00 32.23 C ATOM 1535 C LEU A 98 11.051 -6.385 -1.096 1.00 0.11 C ATOM 1536 O LEU A 98 11.958 -7.108 -0.686 1.00 31.23 O ATOM 1537 CB LEU A 98 11.920 -5.155 -3.169 1.00 12.22 C ATOM 1538 CG LEU A 98 12.149 -5.237 -4.679 1.00 61.35 C ATOM 1539 CD1 LEU A 98 12.993 -4.059 -5.170 1.00 55.52 C ATOM 1540 CD2 LEU A 98 12.763 -6.584 -5.068 1.00 14.05 C ATOM 0 H LEU A 98 9.488 -4.688 -3.215 1.00 52.20 H new ATOM 0 HA LEU A 98 11.051 -7.073 -3.104 1.00 32.23 H new ATOM 0 HB2 LEU A 98 11.613 -4.138 -2.923 1.00 12.22 H new ATOM 0 HB3 LEU A 98 12.871 -5.332 -2.667 1.00 12.22 H new ATOM 0 HG LEU A 98 11.181 -5.169 -5.176 1.00 61.35 H new ATOM 0 HD11 LEU A 98 13.141 -4.141 -6.247 1.00 55.52 H new ATOM 0 HD12 LEU A 98 12.479 -3.124 -4.945 1.00 55.52 H new ATOM 0 HD13 LEU A 98 13.961 -4.071 -4.669 1.00 55.52 H new ATOM 0 HD21 LEU A 98 12.916 -6.616 -6.147 1.00 14.05 H new ATOM 0 HD22 LEU A 98 13.721 -6.707 -4.562 1.00 14.05 H new ATOM 0 HD23 LEU A 98 12.091 -7.389 -4.772 1.00 14.05 H new ATOM 1552 N LYS A 99 10.162 -5.782 -0.320 1.00 42.13 N ATOM 1553 CA LYS A 99 10.200 -5.941 1.123 1.00 65.14 C ATOM 1554 C LYS A 99 9.239 -7.059 1.535 1.00 74.10 C ATOM 1555 O LYS A 99 9.628 -7.988 2.242 1.00 12.40 O ATOM 1556 CB LYS A 99 9.922 -4.606 1.818 1.00 53.10 C ATOM 1557 CG LYS A 99 9.837 -4.783 3.334 1.00 51.40 C ATOM 1558 CD LYS A 99 9.026 -3.654 3.974 1.00 53.31 C ATOM 1559 CE LYS A 99 8.785 -3.926 5.461 1.00 14.20 C ATOM 1560 NZ LYS A 99 7.918 -5.111 5.638 1.00 30.50 N1+ ATOM 0 H LYS A 99 9.412 -5.183 -0.664 1.00 42.13 H new ATOM 0 HA LYS A 99 11.197 -6.241 1.446 1.00 65.14 H new ATOM 0 HB2 LYS A 99 10.711 -3.895 1.575 1.00 53.10 H new ATOM 0 HB3 LYS A 99 8.988 -4.185 1.445 1.00 53.10 H new ATOM 0 HG2 LYS A 99 9.376 -5.743 3.566 1.00 51.40 H new ATOM 0 HG3 LYS A 99 10.841 -4.800 3.758 1.00 51.40 H new ATOM 0 HD2 LYS A 99 9.555 -2.709 3.855 1.00 53.31 H new ATOM 0 HD3 LYS A 99 8.070 -3.551 3.460 1.00 53.31 H new ATOM 0 HE2 LYS A 99 9.737 -4.086 5.966 1.00 14.20 H new ATOM 0 HE3 LYS A 99 8.321 -3.056 5.925 1.00 14.20 H new ATOM 0 HZ1 LYS A 99 7.491 -5.090 6.586 1.00 30.50 H new ATOM 0 HZ2 LYS A 99 7.166 -5.102 4.919 1.00 30.50 H new ATOM 0 HZ3 LYS A 99 8.486 -5.976 5.533 1.00 30.50 H new ATOM 1573 N LYS A 100 8.003 -6.933 1.075 1.00 45.50 N ATOM 1574 CA LYS A 100 6.984 -7.921 1.386 1.00 71.42 C ATOM 1575 C LYS A 100 7.374 -9.263 0.762 1.00 15.31 C ATOM 1576 O LYS A 100 6.824 -10.302 1.123 1.00 13.03 O ATOM 1577 CB LYS A 100 5.604 -7.421 0.957 1.00 23.01 C ATOM 1578 CG LYS A 100 4.494 -8.272 1.577 1.00 62.30 C ATOM 1579 CD LYS A 100 3.116 -7.803 1.108 1.00 21.42 C ATOM 1580 CE LYS A 100 2.004 -8.479 1.913 1.00 4.03 C ATOM 1581 NZ LYS A 100 0.709 -8.363 1.205 1.00 72.11 N1+ ATOM 0 H LYS A 100 7.684 -6.161 0.489 1.00 45.50 H new ATOM 0 HA LYS A 100 6.920 -8.076 2.463 1.00 71.42 H new ATOM 0 HB2 LYS A 100 5.481 -6.381 1.258 1.00 23.01 H new ATOM 0 HB3 LYS A 100 5.525 -7.450 -0.130 1.00 23.01 H new ATOM 0 HG2 LYS A 100 4.638 -9.318 1.305 1.00 62.30 H new ATOM 0 HG3 LYS A 100 4.551 -8.214 2.664 1.00 62.30 H new ATOM 0 HD2 LYS A 100 3.041 -6.721 1.214 1.00 21.42 H new ATOM 0 HD3 LYS A 100 2.992 -8.029 0.049 1.00 21.42 H new ATOM 0 HE2 LYS A 100 2.247 -9.530 2.069 1.00 4.03 H new ATOM 0 HE3 LYS A 100 1.929 -8.019 2.898 1.00 4.03 H new ATOM 0 HZ1 LYS A 100 -0.035 -8.827 1.764 1.00 72.11 H new ATOM 0 HZ2 LYS A 100 0.472 -7.358 1.078 1.00 72.11 H new ATOM 0 HZ3 LYS A 100 0.780 -8.822 0.275 1.00 72.11 H new ATOM 1594 N ALA A 101 8.319 -9.196 -0.165 1.00 64.02 N ATOM 1595 CA ALA A 101 8.788 -10.393 -0.842 1.00 24.13 C ATOM 1596 C ALA A 101 9.763 -11.140 0.069 1.00 72.45 C ATOM 1597 O ALA A 101 9.552 -12.310 0.383 1.00 21.11 O ATOM 1598 CB ALA A 101 9.419 -10.007 -2.181 1.00 75.14 C ATOM 0 H ALA A 101 8.772 -8.332 -0.463 1.00 64.02 H new ATOM 0 HA ALA A 101 7.957 -11.065 -1.055 1.00 24.13 H new ATOM 0 HB1 ALA A 101 9.771 -10.905 -2.689 1.00 75.14 H new ATOM 0 HB2 ALA A 101 8.677 -9.506 -2.802 1.00 75.14 H new ATOM 0 HB3 ALA A 101 10.260 -9.335 -2.007 1.00 75.14 H new ATOM 1604 N THR A 102 10.811 -10.434 0.467 1.00 15.34 N ATOM 1605 CA THR A 102 11.820 -11.016 1.336 1.00 4.43 C ATOM 1606 C THR A 102 11.266 -11.197 2.750 1.00 51.23 C ATOM 1607 O THR A 102 11.788 -11.994 3.528 1.00 33.25 O ATOM 1608 CB THR A 102 13.063 -10.125 1.280 1.00 53.10 C ATOM 1609 OG1 THR A 102 12.645 -8.907 1.889 1.00 60.21 O ATOM 1610 CG2 THR A 102 13.430 -9.721 -0.149 1.00 73.13 C ATOM 0 H THR A 102 10.983 -9.464 0.204 1.00 15.34 H new ATOM 0 HA THR A 102 12.102 -12.014 1.001 1.00 4.43 H new ATOM 0 HB THR A 102 13.904 -10.647 1.737 1.00 53.10 H new ATOM 0 HG1 THR A 102 12.450 -8.244 1.194 1.00 60.21 H new ATOM 0 HG21 THR A 102 14.318 -9.090 -0.132 1.00 73.13 H new ATOM 0 HG22 THR A 102 13.631 -10.615 -0.740 1.00 73.13 H new ATOM 0 HG23 THR A 102 12.602 -9.170 -0.595 1.00 73.13 H new ATOM 1618 N ASN A 103 10.215 -10.444 3.041 1.00 70.44 N ATOM 1619 CA ASN A 103 9.584 -10.511 4.348 1.00 11.44 C ATOM 1620 C ASN A 103 8.991 -11.906 4.551 1.00 44.21 C ATOM 1621 O ASN A 103 9.442 -12.657 5.415 1.00 20.15 O ATOM 1622 CB ASN A 103 8.448 -9.493 4.464 1.00 54.20 C ATOM 1623 CG ASN A 103 7.759 -9.594 5.827 1.00 33.53 C ATOM 1624 OD1 ASN A 103 8.321 -9.273 6.861 1.00 4.43 O ATOM 1625 ND2 ASN A 103 6.513 -10.057 5.769 1.00 23.31 N ATOM 0 H ASN A 103 9.785 -9.784 2.393 1.00 70.44 H new ATOM 0 HA ASN A 103 10.342 -10.293 5.100 1.00 11.44 H new ATOM 0 HB2 ASN A 103 8.841 -8.486 4.325 1.00 54.20 H new ATOM 0 HB3 ASN A 103 7.720 -9.663 3.671 1.00 54.20 H new ATOM 0 HD21 ASN A 103 5.967 -10.162 6.624 1.00 23.31 H new ATOM 0 HD22 ASN A 103 6.103 -10.307 4.869 1.00 23.31 H new ATOM 1632 N GLU A 104 7.988 -12.212 3.741 1.00 23.13 N ATOM 1633 CA GLU A 104 7.328 -13.504 3.821 1.00 54.13 C ATOM 1634 C GLU A 104 8.364 -14.623 3.954 1.00 73.12 C ATOM 1635 O GLU A 104 8.027 -15.745 4.326 1.00 31.02 O ATOM 1636 CB GLU A 104 6.425 -13.735 2.608 1.00 64.13 C ATOM 1637 CG GLU A 104 7.184 -13.486 1.304 1.00 74.30 C ATOM 1638 CD GLU A 104 6.373 -13.960 0.097 1.00 30.24 C ATOM 1639 OE1 GLU A 104 6.942 -14.511 -0.857 1.00 70.41 O ATOM 1640 OE2 GLU A 104 5.103 -13.742 0.174 1.00 71.21 O1- ATOM 0 H GLU A 104 7.616 -11.587 3.026 1.00 23.13 H new ATOM 0 HA GLU A 104 6.697 -13.512 4.710 1.00 54.13 H new ATOM 0 HB2 GLU A 104 6.045 -14.757 2.622 1.00 64.13 H new ATOM 0 HB3 GLU A 104 5.561 -13.073 2.662 1.00 64.13 H new ATOM 0 HG2 GLU A 104 7.403 -12.423 1.204 1.00 74.30 H new ATOM 0 HG3 GLU A 104 8.141 -14.008 1.331 1.00 74.30 H new TER 1648 GLU A 104 HETATM 1649 FE HEC A 500 20.257 -6.902 -8.185 1.00 34.12 FE HETATM 1650 CHA HEC A 500 22.741 -7.173 -5.792 1.00 70.41 C HETATM 1651 CHB HEC A 500 18.182 -5.454 -5.872 1.00 51.40 C HETATM 1652 CHC HEC A 500 18.257 -6.052 -10.746 1.00 30.32 C HETATM 1653 CHD HEC A 500 22.235 -8.825 -10.329 1.00 22.15 C HETATM 1654 NA HEC A 500 20.459 -6.341 -6.216 1.00 31.22 N HETATM 1655 C1A HEC A 500 21.560 -6.550 -5.460 1.00 70.42 C HETATM 1656 C2A HEC A 500 21.283 -6.093 -4.134 1.00 55.42 C HETATM 1657 C3A HEC A 500 19.994 -5.616 -4.120 1.00 21.02 C HETATM 1658 C4A HEC A 500 19.466 -5.799 -5.455 1.00 11.25 C HETATM 1659 CMA HEC A 500 19.305 -4.967 -2.948 1.00 33.23 C HETATM 1660 CAA HEC A 500 22.204 -6.287 -2.962 1.00 52.15 C HETATM 1661 CBA HEC A 500 22.388 -7.750 -2.554 1.00 50.33 C HETATM 1662 CGA HEC A 500 21.035 -8.403 -2.326 1.00 24.15 C HETATM 1663 O1A HEC A 500 20.392 -8.766 -3.332 1.00 51.15 O HETATM 1664 O2A HEC A 500 20.703 -8.603 -1.135 1.00 64.43 O HETATM 1665 NB HEC A 500 18.493 -6.008 -8.278 1.00 15.25 N HETATM 1666 C1B HEC A 500 17.791 -5.526 -7.213 1.00 55.24 C HETATM 1667 C2B HEC A 500 16.526 -5.060 -7.722 1.00 23.13 C HETATM 1668 C3B HEC A 500 16.604 -5.091 -9.100 1.00 22.40 C HETATM 1669 C4B HEC A 500 17.847 -5.746 -9.441 1.00 23.25 C HETATM 1670 CMB HEC A 500 15.347 -4.641 -6.886 1.00 22.42 C HETATM 1671 CAB HEC A 500 15.570 -4.604 -10.094 1.00 55.14 C HETATM 1672 CBB HEC A 500 14.853 -3.306 -9.714 1.00 1.25 C HETATM 1673 NC HEC A 500 20.225 -7.394 -10.192 1.00 13.44 N HETATM 1674 C1C HEC A 500 19.296 -6.926 -11.045 1.00 70.35 C HETATM 1675 C2C HEC A 500 19.521 -7.553 -12.331 1.00 1.23 C HETATM 1676 C3C HEC A 500 20.556 -8.447 -12.168 1.00 62.35 C HETATM 1677 C4C HEC A 500 21.078 -8.238 -10.835 1.00 2.33 C HETATM 1678 CMC HEC A 500 18.641 -7.428 -13.552 1.00 14.53 C HETATM 1679 CAC HEC A 500 21.012 -9.527 -13.141 1.00 40.04 C HETATM 1680 CBC HEC A 500 21.575 -8.990 -14.463 1.00 35.45 C HETATM 1681 ND HEC A 500 22.140 -7.851 -8.067 1.00 31.33 N HETATM 1682 C1D HEC A 500 22.717 -8.589 -9.050 1.00 44.31 C HETATM 1683 C2D HEC A 500 23.977 -9.080 -8.539 1.00 33.44 C HETATM 1684 C3D HEC A 500 24.135 -8.561 -7.279 1.00 2.54 C HETATM 1685 C4D HEC A 500 22.952 -7.806 -6.986 1.00 41.22 C HETATM 1686 CMD HEC A 500 24.967 -9.962 -9.255 1.00 21.21 C HETATM 1687 CAD HEC A 500 25.377 -8.648 -6.427 1.00 14.14 C HETATM 1688 CBD HEC A 500 26.549 -7.926 -7.087 1.00 13.53 C HETATM 1689 CGD HEC A 500 27.887 -8.477 -6.639 1.00 13.34 C HETATM 1690 O1D HEC A 500 28.576 -7.783 -5.866 1.00 32.14 O HETATM 1691 O2D HEC A 500 28.235 -9.584 -7.095 1.00 31.10 O HETATM 0 HMD3 HEC A 500 24.489 -10.905 -9.520 1.00 21.21 H new HETATM 0 HMD2 HEC A 500 25.311 -9.462 -10.161 1.00 21.21 H new HETATM 0 HMD1 HEC A 500 25.818 -10.157 -8.603 1.00 21.21 H new HETATM 0 HMC3 HEC A 500 17.643 -7.800 -13.321 1.00 14.53 H new HETATM 0 HMC2 HEC A 500 18.578 -6.381 -13.849 1.00 14.53 H new HETATM 0 HMC1 HEC A 500 19.066 -8.012 -14.368 1.00 14.53 H new HETATM 0 HMB3 HEC A 500 15.024 -5.478 -6.266 1.00 22.42 H new HETATM 0 HMB2 HEC A 500 15.633 -3.805 -6.247 1.00 22.42 H new HETATM 0 HMB1 HEC A 500 14.529 -4.336 -7.538 1.00 22.42 H new HETATM 0 HMA3 HEC A 500 19.272 -5.666 -2.113 1.00 33.23 H new HETATM 0 HMA2 HEC A 500 19.855 -4.074 -2.652 1.00 33.23 H new HETATM 0 HMA1 HEC A 500 18.289 -4.690 -3.231 1.00 33.23 H new HETATM 0 HBD2 HEC A 500 26.465 -8.016 -8.170 1.00 13.53 H new HETATM 0 HBD1 HEC A 500 26.498 -6.863 -6.851 1.00 13.53 H new HETATM 0 HBC3 HEC A 500 20.810 -8.405 -14.973 1.00 35.45 H new HETATM 0 HBC2 HEC A 500 22.440 -8.359 -14.260 1.00 35.45 H new HETATM 0 HBC1 HEC A 500 21.876 -9.825 -15.096 1.00 35.45 H new HETATM 0 HBB3 HEC A 500 14.330 -3.443 -8.768 1.00 1.25 H new HETATM 0 HBB2 HEC A 500 15.583 -2.503 -9.612 1.00 1.25 H new HETATM 0 HBB1 HEC A 500 14.135 -3.046 -10.492 1.00 1.25 H new HETATM 0 HBA2 HEC A 500 22.933 -8.286 -3.331 1.00 50.33 H new HETATM 0 HBA1 HEC A 500 22.987 -7.810 -1.645 1.00 50.33 H new HETATM 0 HAD2 HEC A 500 25.181 -8.211 -5.448 1.00 14.14 H new HETATM 0 HAD1 HEC A 500 25.636 -9.694 -6.263 1.00 14.14 H new HETATM 0 HAA2 HEC A 500 23.178 -5.862 -3.204 1.00 52.15 H new HETATM 0 HAA1 HEC A 500 21.815 -5.729 -2.110 1.00 52.15 H new HETATM 0 HHD HEC A 500 22.792 -9.506 -10.972 1.00 22.15 H new HETATM 0 HHC HEC A 500 17.731 -5.577 -11.574 1.00 30.32 H new HETATM 0 HHB HEC A 500 17.459 -5.117 -5.129 1.00 51.40 H new HETATM 0 HHA HEC A 500 23.552 -7.161 -5.064 1.00 70.41 H new HETATM 0 H2A HEC A 500 19.760 -8.869 -1.098 1.00 64.43 H new