USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 943 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 105 TYR OH : rot 30:sc= -0.632 USER MOD Set 1.2: A 124 ASN : amide:sc= -1.43! C(o=-2.1!,f=-3.4!) USER MOD Set 2.1: A 8 SER OG : rot -150:sc= 0.0162 USER MOD Set 2.2: A 56 HIS : no HD1:sc= -0.775 K(o=-0.76,f=-0.17) USER MOD Set 3.1: A 31 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-0.3) USER MOD Set 3.2: A 46 SER OG : rot 180:sc=-0.00357 USER MOD Set 4.1: A 13 MET CE :methyl 151:sc= -5.12! (180deg=-7.39!) USER MOD Set 4.2: A 15 LYS NZ :NH3+ -122:sc= -0.73 (180deg=-3.75!) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0813 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -56:sc= 0.96 USER MOD Single : A 9 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0672) USER MOD Single : A 10 CYS SG : rot -130:sc=-0.00645 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -3.48! K(o=-3.5!,f=-0.36) USER MOD Single : A 35 LYS NZ :NH3+ 165:sc= -0.0128 (180deg=-0.155) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.551 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 132:sc= 1.27 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -122:sc= 0.89 USER MOD Single : A 59 THR OG1 : rot -174:sc= 2.04 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 62:sc= 0.171 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 90:sc= 1.42 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc=-0.00502 USER MOD Single : A 78 TYR OH : rot 130:sc= -0.599 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 90 HIS : no HD1:sc= -0.348 X(o=-0.35,f=-0.0062) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.275 X(o=-0.28,f=-0.17) USER MOD Single : A 100 SER OG : rot 41:sc= 0.307 USER MOD Single : A 106 THR OG1 : rot -121:sc= 1.06 USER MOD Single : A 110 MET CE :methyl -161:sc= -0.124 (180deg=-1.1) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 30:sc= -0.119 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl -178:sc= -3.75! (180deg=-3.96!) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.493 -2.501 6.273 1.00 74.13 N ATOM 2 CA GLY A 1 -1.645 -2.618 5.101 1.00 34.14 C ATOM 3 C GLY A 1 -1.639 -4.020 4.527 1.00 1.51 C ATOM 4 O GLY A 1 -2.198 -4.953 5.105 1.00 72.31 O ATOM 0 H1 GLY A 1 -3.228 -1.786 6.100 1.00 74.13 H new ATOM 0 H2 GLY A 1 -2.942 -3.418 6.469 1.00 74.13 H new ATOM 0 H3 GLY A 1 -1.918 -2.215 7.091 1.00 74.13 H new ATOM 0 HA2 GLY A 1 -1.986 -1.918 4.338 1.00 34.14 H new ATOM 0 HA3 GLY A 1 -0.626 -2.332 5.363 1.00 34.14 H new ATOM 8 N PRO A 2 -0.997 -4.184 3.362 1.00 21.03 N ATOM 9 CA PRO A 2 -0.907 -5.480 2.682 1.00 2.31 C ATOM 10 C PRO A 2 -0.010 -6.464 3.427 1.00 61.30 C ATOM 11 O PRO A 2 -0.381 -7.617 3.642 1.00 14.21 O ATOM 12 CB PRO A 2 -0.300 -5.127 1.323 1.00 23.42 C ATOM 13 CG PRO A 2 0.457 -3.867 1.562 1.00 33.11 C ATOM 14 CD PRO A 2 -0.308 -3.117 2.616 1.00 34.03 C ATOM 0 HA PRO A 2 -1.877 -5.973 2.615 1.00 2.31 H new ATOM 0 HB2 PRO A 2 0.355 -5.921 0.964 1.00 23.42 H new ATOM 0 HB3 PRO A 2 -1.074 -4.987 0.568 1.00 23.42 H new ATOM 0 HG2 PRO A 2 1.473 -4.080 1.895 1.00 33.11 H new ATOM 0 HG3 PRO A 2 0.537 -3.281 0.647 1.00 33.11 H new ATOM 0 HD2 PRO A 2 0.356 -2.540 3.260 1.00 34.03 H new ATOM 0 HD3 PRO A 2 -1.015 -2.414 2.176 1.00 34.03 H new ATOM 22 N THR A 3 1.173 -6.000 3.818 1.00 23.42 N ATOM 23 CA THR A 3 2.123 -6.838 4.538 1.00 41.32 C ATOM 24 C THR A 3 2.789 -6.066 5.670 1.00 20.13 C ATOM 25 O THR A 3 2.823 -4.837 5.661 1.00 54.11 O ATOM 26 CB THR A 3 3.211 -7.388 3.596 1.00 33.42 C ATOM 27 OG1 THR A 3 4.105 -6.337 3.213 1.00 11.12 O ATOM 28 CG2 THR A 3 2.589 -8.011 2.355 1.00 11.31 C ATOM 0 H THR A 3 1.496 -5.048 3.648 1.00 23.42 H new ATOM 0 HA THR A 3 1.558 -7.672 4.955 1.00 41.32 H new ATOM 0 HB THR A 3 3.766 -8.159 4.130 1.00 33.42 H new ATOM 0 HG1 THR A 3 4.794 -6.695 2.616 1.00 11.12 H new ATOM 0 HG21 THR A 3 3.377 -8.392 1.705 1.00 11.31 H new ATOM 0 HG22 THR A 3 1.933 -8.830 2.649 1.00 11.31 H new ATOM 0 HG23 THR A 3 2.011 -7.257 1.820 1.00 11.31 H new ATOM 36 N GLY A 4 3.320 -6.797 6.646 1.00 1.33 N ATOM 37 CA GLY A 4 3.979 -6.162 7.774 1.00 1.34 C ATOM 38 C GLY A 4 3.606 -6.800 9.097 1.00 45.41 C ATOM 39 O GLY A 4 2.786 -7.717 9.144 1.00 60.11 O ATOM 0 H GLY A 4 3.306 -7.816 6.676 1.00 1.33 H new ATOM 0 HA2 GLY A 4 5.059 -6.218 7.639 1.00 1.34 H new ATOM 0 HA3 GLY A 4 3.715 -5.105 7.797 1.00 1.34 H new ATOM 43 N THR A 5 4.212 -6.316 10.176 1.00 12.54 N ATOM 44 CA THR A 5 3.942 -6.847 11.507 1.00 74.23 C ATOM 45 C THR A 5 3.749 -8.358 11.468 1.00 64.14 C ATOM 46 O THR A 5 2.848 -8.895 12.111 1.00 14.45 O ATOM 47 CB THR A 5 2.691 -6.197 12.128 1.00 71.41 C ATOM 48 OG1 THR A 5 2.481 -6.704 13.450 1.00 32.23 O ATOM 49 CG2 THR A 5 1.461 -6.466 11.274 1.00 53.45 C ATOM 0 H THR A 5 4.893 -5.557 10.155 1.00 12.54 H new ATOM 0 HA THR A 5 4.809 -6.610 12.123 1.00 74.23 H new ATOM 0 HB THR A 5 2.853 -5.120 12.174 1.00 71.41 H new ATOM 0 HG1 THR A 5 2.410 -7.681 13.418 1.00 32.23 H new ATOM 0 HG21 THR A 5 0.590 -5.997 11.732 1.00 53.45 H new ATOM 0 HG22 THR A 5 1.613 -6.053 10.277 1.00 53.45 H new ATOM 0 HG23 THR A 5 1.298 -7.541 11.200 1.00 53.45 H new ATOM 57 N GLY A 6 4.601 -9.039 10.708 1.00 24.13 N ATOM 58 CA GLY A 6 4.507 -10.484 10.600 1.00 71.40 C ATOM 59 C GLY A 6 5.726 -11.096 9.938 1.00 43.52 C ATOM 60 O GLY A 6 6.348 -12.005 10.488 1.00 52.21 O ATOM 0 H GLY A 6 5.354 -8.617 10.165 1.00 24.13 H new ATOM 0 HA2 GLY A 6 4.384 -10.912 11.595 1.00 71.40 H new ATOM 0 HA3 GLY A 6 3.617 -10.745 10.028 1.00 71.40 H new ATOM 64 N GLU A 7 6.068 -10.598 8.754 1.00 62.41 N ATOM 65 CA GLU A 7 7.218 -11.105 8.016 1.00 61.05 C ATOM 66 C GLU A 7 8.471 -11.094 8.887 1.00 62.33 C ATOM 67 O GLU A 7 8.519 -10.420 9.917 1.00 20.21 O ATOM 68 CB GLU A 7 7.453 -10.269 6.756 1.00 41.31 C ATOM 69 CG GLU A 7 7.756 -8.808 7.043 1.00 34.13 C ATOM 70 CD GLU A 7 7.996 -8.003 5.779 1.00 31.31 C ATOM 71 OE1 GLU A 7 8.996 -8.278 5.083 1.00 35.02 O1- ATOM 72 OE2 GLU A 7 7.186 -7.100 5.488 1.00 50.32 O ATOM 0 H GLU A 7 5.565 -9.844 8.286 1.00 62.41 H new ATOM 0 HA GLU A 7 7.006 -12.134 7.726 1.00 61.05 H new ATOM 0 HB2 GLU A 7 8.282 -10.700 6.194 1.00 41.31 H new ATOM 0 HB3 GLU A 7 6.570 -10.330 6.120 1.00 41.31 H new ATOM 0 HG2 GLU A 7 6.925 -8.370 7.596 1.00 34.13 H new ATOM 0 HG3 GLU A 7 8.635 -8.742 7.684 1.00 34.13 H new ATOM 79 N SER A 8 9.484 -11.846 8.467 1.00 11.13 N ATOM 80 CA SER A 8 10.736 -11.926 9.211 1.00 73.41 C ATOM 81 C SER A 8 11.479 -10.594 9.170 1.00 2.22 C ATOM 82 O SER A 8 11.031 -9.639 8.534 1.00 44.50 O ATOM 83 CB SER A 8 11.622 -13.035 8.641 1.00 62.10 C ATOM 84 OG SER A 8 12.602 -13.440 9.581 1.00 14.33 O ATOM 0 H SER A 8 9.462 -12.408 7.616 1.00 11.13 H new ATOM 0 HA SER A 8 10.499 -12.158 10.249 1.00 73.41 H new ATOM 0 HB2 SER A 8 11.006 -13.890 8.363 1.00 62.10 H new ATOM 0 HB3 SER A 8 12.109 -12.684 7.732 1.00 62.10 H new ATOM 0 HG SER A 8 13.401 -13.751 9.107 1.00 14.33 H new ATOM 90 N LYS A 9 12.617 -10.538 9.852 1.00 44.32 N ATOM 91 CA LYS A 9 13.426 -9.325 9.894 1.00 23.33 C ATOM 92 C LYS A 9 14.850 -9.603 9.423 1.00 33.34 C ATOM 93 O LYS A 9 15.788 -8.903 9.804 1.00 14.24 O ATOM 94 CB LYS A 9 13.450 -8.753 11.313 1.00 44.14 C ATOM 95 CG LYS A 9 13.692 -7.254 11.361 1.00 44.04 C ATOM 96 CD LYS A 9 14.370 -6.839 12.655 1.00 2.52 C ATOM 97 CE LYS A 9 15.848 -7.202 12.652 1.00 53.35 C ATOM 98 NZ LYS A 9 16.639 -6.297 11.771 1.00 32.34 N1+ ATOM 0 H LYS A 9 13.001 -11.319 10.384 1.00 44.32 H new ATOM 0 HA LYS A 9 12.976 -8.595 9.221 1.00 23.33 H new ATOM 0 HB2 LYS A 9 12.501 -8.975 11.801 1.00 44.14 H new ATOM 0 HB3 LYS A 9 14.229 -9.257 11.886 1.00 44.14 H new ATOM 0 HG2 LYS A 9 14.311 -6.957 10.514 1.00 44.04 H new ATOM 0 HG3 LYS A 9 12.742 -6.728 11.262 1.00 44.04 H new ATOM 0 HD2 LYS A 9 14.259 -5.764 12.797 1.00 2.52 H new ATOM 0 HD3 LYS A 9 13.877 -7.324 13.497 1.00 2.52 H new ATOM 0 HE2 LYS A 9 16.237 -7.150 13.669 1.00 53.35 H new ATOM 0 HE3 LYS A 9 15.968 -8.232 12.317 1.00 53.35 H new ATOM 0 HZ1 LYS A 9 17.654 -6.476 11.911 1.00 32.34 H new ATOM 0 HZ2 LYS A 9 16.390 -6.475 10.777 1.00 32.34 H new ATOM 0 HZ3 LYS A 9 16.426 -5.307 12.009 1.00 32.34 H new ATOM 112 N CYS A 10 15.003 -10.628 8.592 1.00 72.52 N ATOM 113 CA CYS A 10 16.312 -10.998 8.067 1.00 50.34 C ATOM 114 C CYS A 10 16.737 -10.053 6.948 1.00 44.02 C ATOM 115 O CYS A 10 15.918 -9.360 6.345 1.00 44.02 O ATOM 116 CB CYS A 10 16.291 -12.438 7.555 1.00 33.40 C ATOM 117 SG CYS A 10 16.941 -13.650 8.729 1.00 22.45 S ATOM 0 H CYS A 10 14.237 -11.218 8.267 1.00 72.52 H new ATOM 0 HA CYS A 10 17.036 -10.919 8.878 1.00 50.34 H new ATOM 0 HB2 CYS A 10 15.265 -12.707 7.302 1.00 33.40 H new ATOM 0 HB3 CYS A 10 16.871 -12.493 6.634 1.00 33.40 H new ATOM 0 HG CYS A 10 17.817 -14.404 8.134 1.00 22.45 H new ATOM 123 N PRO A 11 18.048 -10.022 6.664 1.00 41.21 N ATOM 124 CA PRO A 11 18.610 -9.166 5.616 1.00 32.44 C ATOM 125 C PRO A 11 18.218 -9.626 4.217 1.00 33.11 C ATOM 126 O PRO A 11 18.310 -8.866 3.252 1.00 40.40 O ATOM 127 CB PRO A 11 20.122 -9.303 5.820 1.00 52.53 C ATOM 128 CG PRO A 11 20.296 -10.627 6.481 1.00 50.33 C ATOM 129 CD PRO A 11 19.080 -10.823 7.343 1.00 12.12 C ATOM 0 HA PRO A 11 18.246 -8.141 5.689 1.00 32.44 H new ATOM 0 HB2 PRO A 11 20.655 -9.261 4.870 1.00 52.53 H new ATOM 0 HB3 PRO A 11 20.513 -8.496 6.440 1.00 52.53 H new ATOM 0 HG2 PRO A 11 20.383 -11.424 5.742 1.00 50.33 H new ATOM 0 HG3 PRO A 11 21.206 -10.647 7.080 1.00 50.33 H new ATOM 0 HD2 PRO A 11 18.797 -11.874 7.405 1.00 12.12 H new ATOM 0 HD3 PRO A 11 19.250 -10.478 8.363 1.00 12.12 H new ATOM 137 N LEU A 12 17.780 -10.876 4.112 1.00 24.44 N ATOM 138 CA LEU A 12 17.373 -11.439 2.829 1.00 13.33 C ATOM 139 C LEU A 12 16.099 -12.264 2.976 1.00 62.23 C ATOM 140 O LEU A 12 16.045 -13.207 3.766 1.00 61.54 O ATOM 141 CB LEU A 12 18.492 -12.309 2.253 1.00 1.41 C ATOM 142 CG LEU A 12 18.365 -12.672 0.773 1.00 23.13 C ATOM 143 CD1 LEU A 12 19.728 -13.003 0.185 1.00 43.24 C ATOM 144 CD2 LEU A 12 17.406 -13.840 0.591 1.00 3.34 C ATOM 0 H LEU A 12 17.698 -11.519 4.900 1.00 24.44 H new ATOM 0 HA LEU A 12 17.174 -10.614 2.146 1.00 13.33 H new ATOM 0 HB2 LEU A 12 19.440 -11.791 2.399 1.00 1.41 H new ATOM 0 HB3 LEU A 12 18.541 -13.232 2.830 1.00 1.41 H new ATOM 0 HG LEU A 12 17.962 -11.810 0.241 1.00 23.13 H new ATOM 0 HD11 LEU A 12 19.617 -13.259 -0.869 1.00 43.24 H new ATOM 0 HD12 LEU A 12 20.385 -12.139 0.282 1.00 43.24 H new ATOM 0 HD13 LEU A 12 20.159 -13.849 0.720 1.00 43.24 H new ATOM 0 HD21 LEU A 12 17.328 -14.085 -0.468 1.00 3.34 H new ATOM 0 HD22 LEU A 12 17.780 -14.706 1.137 1.00 3.34 H new ATOM 0 HD23 LEU A 12 16.423 -13.567 0.974 1.00 3.34 H new ATOM 156 N MET A 13 15.075 -11.903 2.210 1.00 42.14 N ATOM 157 CA MET A 13 13.801 -12.612 2.253 1.00 33.41 C ATOM 158 C MET A 13 13.360 -13.025 0.852 1.00 40.04 C ATOM 159 O MET A 13 13.361 -12.214 -0.074 1.00 53.03 O ATOM 160 CB MET A 13 12.727 -11.735 2.900 1.00 72.22 C ATOM 161 CG MET A 13 11.640 -12.528 3.609 1.00 31.44 C ATOM 162 SD MET A 13 10.133 -11.571 3.860 1.00 1.33 S ATOM 163 CE MET A 13 8.958 -12.534 2.910 1.00 15.23 C ATOM 0 H MET A 13 15.102 -11.124 1.552 1.00 42.14 H new ATOM 0 HA MET A 13 13.935 -13.512 2.852 1.00 33.41 H new ATOM 0 HB2 MET A 13 13.201 -11.063 3.616 1.00 72.22 H new ATOM 0 HB3 MET A 13 12.268 -11.111 2.133 1.00 72.22 H new ATOM 0 HG2 MET A 13 11.407 -13.419 3.026 1.00 31.44 H new ATOM 0 HG3 MET A 13 12.015 -12.868 4.574 1.00 31.44 H new ATOM 0 HE1 MET A 13 7.963 -12.422 3.341 1.00 15.23 H new ATOM 0 HE2 MET A 13 8.949 -12.182 1.878 1.00 15.23 H new ATOM 0 HE3 MET A 13 9.247 -13.585 2.932 1.00 15.23 H new ATOM 173 N VAL A 14 12.987 -14.292 0.704 1.00 0.34 N ATOM 174 CA VAL A 14 12.543 -14.812 -0.584 1.00 54.11 C ATOM 175 C VAL A 14 11.077 -15.225 -0.534 1.00 75.31 C ATOM 176 O VAL A 14 10.708 -16.163 0.172 1.00 44.51 O ATOM 177 CB VAL A 14 13.392 -16.021 -1.023 1.00 71.42 C ATOM 178 CG1 VAL A 14 13.000 -16.468 -2.423 1.00 65.25 C ATOM 179 CG2 VAL A 14 14.874 -15.684 -0.956 1.00 54.20 C ATOM 0 H VAL A 14 12.983 -14.977 1.460 1.00 0.34 H new ATOM 0 HA VAL A 14 12.666 -14.008 -1.310 1.00 54.11 H new ATOM 0 HB VAL A 14 13.200 -16.846 -0.337 1.00 71.42 H new ATOM 0 HG11 VAL A 14 13.610 -17.323 -2.716 1.00 65.25 H new ATOM 0 HG12 VAL A 14 11.948 -16.753 -2.433 1.00 65.25 H new ATOM 0 HG13 VAL A 14 13.161 -15.650 -3.125 1.00 65.25 H new ATOM 0 HG21 VAL A 14 15.458 -16.549 -1.269 1.00 54.20 H new ATOM 0 HG22 VAL A 14 15.086 -14.844 -1.617 1.00 54.20 H new ATOM 0 HG23 VAL A 14 15.141 -15.417 0.067 1.00 54.20 H new ATOM 189 N LYS A 15 10.243 -14.519 -1.292 1.00 45.14 N ATOM 190 CA LYS A 15 8.816 -14.812 -1.337 1.00 34.42 C ATOM 191 C LYS A 15 8.450 -15.535 -2.629 1.00 3.44 C ATOM 192 O LYS A 15 8.530 -14.962 -3.717 1.00 33.44 O ATOM 193 CB LYS A 15 8.004 -13.520 -1.215 1.00 23.14 C ATOM 194 CG LYS A 15 6.530 -13.751 -0.932 1.00 20.51 C ATOM 195 CD LYS A 15 6.251 -13.814 0.561 1.00 21.44 C ATOM 196 CE LYS A 15 5.994 -12.430 1.138 1.00 61.00 C ATOM 197 NZ LYS A 15 5.339 -12.498 2.473 1.00 31.20 N1+ ATOM 0 H LYS A 15 10.532 -13.740 -1.883 1.00 45.14 H new ATOM 0 HA LYS A 15 8.578 -15.464 -0.496 1.00 34.42 H new ATOM 0 HB2 LYS A 15 8.427 -12.909 -0.417 1.00 23.14 H new ATOM 0 HB3 LYS A 15 8.103 -12.950 -2.139 1.00 23.14 H new ATOM 0 HG2 LYS A 15 5.943 -12.949 -1.379 1.00 20.51 H new ATOM 0 HG3 LYS A 15 6.210 -14.681 -1.402 1.00 20.51 H new ATOM 0 HD2 LYS A 15 5.387 -14.452 0.744 1.00 21.44 H new ATOM 0 HD3 LYS A 15 7.099 -14.271 1.072 1.00 21.44 H new ATOM 0 HE2 LYS A 15 6.938 -11.891 1.224 1.00 61.00 H new ATOM 0 HE3 LYS A 15 5.364 -11.862 0.453 1.00 61.00 H new ATOM 0 HZ1 LYS A 15 4.437 -11.981 2.444 1.00 31.20 H new ATOM 0 HZ2 LYS A 15 5.161 -13.492 2.722 1.00 31.20 H new ATOM 0 HZ3 LYS A 15 5.961 -12.068 3.187 1.00 31.20 H new ATOM 211 N VAL A 16 8.046 -16.794 -2.504 1.00 43.13 N ATOM 212 CA VAL A 16 7.664 -17.594 -3.663 1.00 14.13 C ATOM 213 C VAL A 16 6.153 -17.784 -3.725 1.00 22.53 C ATOM 214 O VAL A 16 5.588 -18.600 -2.995 1.00 43.30 O ATOM 215 CB VAL A 16 8.344 -18.976 -3.639 1.00 62.10 C ATOM 216 CG1 VAL A 16 7.962 -19.780 -4.873 1.00 24.42 C ATOM 217 CG2 VAL A 16 9.855 -18.824 -3.538 1.00 0.34 C ATOM 0 H VAL A 16 7.974 -17.283 -1.612 1.00 43.13 H new ATOM 0 HA VAL A 16 7.995 -17.050 -4.547 1.00 14.13 H new ATOM 0 HB VAL A 16 7.997 -19.518 -2.760 1.00 62.10 H new ATOM 0 HG11 VAL A 16 8.452 -20.753 -4.839 1.00 24.42 H new ATOM 0 HG12 VAL A 16 6.881 -19.918 -4.897 1.00 24.42 H new ATOM 0 HG13 VAL A 16 8.279 -19.245 -5.768 1.00 24.42 H new ATOM 0 HG21 VAL A 16 10.320 -19.810 -3.522 1.00 0.34 H new ATOM 0 HG22 VAL A 16 10.223 -18.263 -4.397 1.00 0.34 H new ATOM 0 HG23 VAL A 16 10.106 -18.290 -2.622 1.00 0.34 H new ATOM 227 N LEU A 17 5.502 -17.027 -4.602 1.00 52.23 N ATOM 228 CA LEU A 17 4.055 -17.113 -4.761 1.00 52.32 C ATOM 229 C LEU A 17 3.690 -17.694 -6.123 1.00 63.31 C ATOM 230 O LEU A 17 4.482 -17.639 -7.065 1.00 71.44 O ATOM 231 CB LEU A 17 3.422 -15.730 -4.598 1.00 44.04 C ATOM 232 CG LEU A 17 2.718 -15.466 -3.266 1.00 44.34 C ATOM 233 CD1 LEU A 17 3.237 -14.185 -2.633 1.00 1.50 C ATOM 234 CD2 LEU A 17 1.211 -15.392 -3.465 1.00 53.44 C ATOM 0 H LEU A 17 5.954 -16.347 -5.214 1.00 52.23 H new ATOM 0 HA LEU A 17 3.668 -17.777 -3.988 1.00 52.32 H new ATOM 0 HB2 LEU A 17 4.200 -14.979 -4.730 1.00 44.04 H new ATOM 0 HB3 LEU A 17 2.700 -15.586 -5.402 1.00 44.04 H new ATOM 0 HG LEU A 17 2.935 -16.294 -2.592 1.00 44.34 H new ATOM 0 HD11 LEU A 17 2.725 -14.013 -1.686 1.00 1.50 H new ATOM 0 HD12 LEU A 17 4.308 -14.275 -2.455 1.00 1.50 H new ATOM 0 HD13 LEU A 17 3.050 -13.346 -3.304 1.00 1.50 H new ATOM 0 HD21 LEU A 17 0.726 -15.204 -2.507 1.00 53.44 H new ATOM 0 HD22 LEU A 17 0.975 -14.583 -4.156 1.00 53.44 H new ATOM 0 HD23 LEU A 17 0.851 -16.336 -3.874 1.00 53.44 H new ATOM 246 N ASP A 18 2.487 -18.249 -6.221 1.00 52.03 N ATOM 247 CA ASP A 18 2.017 -18.839 -7.468 1.00 1.53 C ATOM 248 C ASP A 18 1.013 -17.920 -8.158 1.00 31.30 C ATOM 249 O ASP A 18 0.107 -17.383 -7.521 1.00 2.31 O ATOM 250 CB ASP A 18 1.379 -20.204 -7.204 1.00 21.40 C ATOM 251 CG ASP A 18 1.639 -21.191 -8.325 1.00 31.11 C ATOM 252 OD1 ASP A 18 2.689 -21.865 -8.289 1.00 31.41 O1- ATOM 253 OD2 ASP A 18 0.793 -21.289 -9.239 1.00 53.44 O ATOM 0 H ASP A 18 1.820 -18.302 -5.451 1.00 52.03 H new ATOM 0 HA ASP A 18 2.876 -18.970 -8.126 1.00 1.53 H new ATOM 0 HB2 ASP A 18 1.768 -20.609 -6.270 1.00 21.40 H new ATOM 0 HB3 ASP A 18 0.304 -20.080 -7.075 1.00 21.40 H new ATOM 258 N ALA A 19 1.183 -17.742 -9.464 1.00 54.11 N ATOM 259 CA ALA A 19 0.292 -16.889 -10.241 1.00 4.04 C ATOM 260 C ALA A 19 -0.957 -17.649 -10.676 1.00 72.45 C ATOM 261 O ALA A 19 -1.995 -17.051 -10.958 1.00 54.10 O ATOM 262 CB ALA A 19 1.020 -16.329 -11.453 1.00 64.31 C ATOM 0 H ALA A 19 1.929 -18.177 -10.006 1.00 54.11 H new ATOM 0 HA ALA A 19 -0.022 -16.061 -9.605 1.00 4.04 H new ATOM 0 HB1 ALA A 19 0.342 -15.694 -12.023 1.00 64.31 H new ATOM 0 HB2 ALA A 19 1.877 -15.741 -11.123 1.00 64.31 H new ATOM 0 HB3 ALA A 19 1.364 -17.150 -12.082 1.00 64.31 H new ATOM 268 N VAL A 20 -0.849 -18.974 -10.729 1.00 1.32 N ATOM 269 CA VAL A 20 -1.969 -19.816 -11.129 1.00 4.11 C ATOM 270 C VAL A 20 -2.866 -20.140 -9.940 1.00 34.21 C ATOM 271 O VAL A 20 -4.078 -20.299 -10.087 1.00 24.34 O ATOM 272 CB VAL A 20 -1.482 -21.133 -11.764 1.00 64.24 C ATOM 273 CG1 VAL A 20 -2.653 -22.072 -12.012 1.00 42.40 C ATOM 274 CG2 VAL A 20 -0.729 -20.854 -13.056 1.00 1.33 C ATOM 0 H VAL A 20 0.003 -19.486 -10.500 1.00 1.32 H new ATOM 0 HA VAL A 20 -2.540 -19.253 -11.868 1.00 4.11 H new ATOM 0 HB VAL A 20 -0.798 -21.620 -11.069 1.00 64.24 H new ATOM 0 HG11 VAL A 20 -2.289 -22.996 -12.461 1.00 42.40 H new ATOM 0 HG12 VAL A 20 -3.146 -22.297 -11.066 1.00 42.40 H new ATOM 0 HG13 VAL A 20 -3.364 -21.596 -12.687 1.00 42.40 H new ATOM 0 HG21 VAL A 20 -0.392 -21.795 -13.491 1.00 1.33 H new ATOM 0 HG22 VAL A 20 -1.388 -20.345 -13.759 1.00 1.33 H new ATOM 0 HG23 VAL A 20 0.134 -20.222 -12.845 1.00 1.33 H new ATOM 284 N ARG A 21 -2.263 -20.235 -8.759 1.00 70.43 N ATOM 285 CA ARG A 21 -3.006 -20.540 -7.543 1.00 40.24 C ATOM 286 C ARG A 21 -3.255 -19.276 -6.726 1.00 25.13 C ATOM 287 O ARG A 21 -4.167 -19.227 -5.901 1.00 25.45 O ATOM 288 CB ARG A 21 -2.247 -21.566 -6.698 1.00 54.04 C ATOM 289 CG ARG A 21 -1.680 -22.721 -7.507 1.00 23.13 C ATOM 290 CD ARG A 21 -0.946 -23.714 -6.621 1.00 70.24 C ATOM 291 NE ARG A 21 -1.762 -24.146 -5.489 1.00 32.25 N ATOM 292 CZ ARG A 21 -2.790 -24.980 -5.600 1.00 13.33 C ATOM 293 NH1 ARG A 21 -3.125 -25.470 -6.786 1.00 64.54 N1+ ATOM 294 NH2 ARG A 21 -3.484 -25.326 -4.524 1.00 42.11 N ATOM 0 H ARG A 21 -1.261 -20.105 -8.619 1.00 70.43 H new ATOM 0 HA ARG A 21 -3.969 -20.960 -7.832 1.00 40.24 H new ATOM 0 HB2 ARG A 21 -1.432 -21.064 -6.177 1.00 54.04 H new ATOM 0 HB3 ARG A 21 -2.917 -21.962 -5.935 1.00 54.04 H new ATOM 0 HG2 ARG A 21 -2.488 -23.229 -8.033 1.00 23.13 H new ATOM 0 HG3 ARG A 21 -0.999 -22.335 -8.265 1.00 23.13 H new ATOM 0 HD2 ARG A 21 -0.658 -24.583 -7.212 1.00 70.24 H new ATOM 0 HD3 ARG A 21 -0.026 -23.260 -6.252 1.00 70.24 H new ATOM 0 HE ARG A 21 -1.530 -23.788 -4.563 1.00 32.25 H new ATOM 0 HH11 ARG A 21 -2.593 -25.207 -7.615 1.00 64.54 H new ATOM 0 HH12 ARG A 21 -3.915 -26.110 -6.869 1.00 64.54 H new ATOM 0 HH21 ARG A 21 -3.229 -24.952 -3.610 1.00 42.11 H new ATOM 0 HH22 ARG A 21 -4.273 -25.966 -4.610 1.00 42.11 H new ATOM 308 N GLY A 22 -2.436 -18.255 -6.961 1.00 14.01 N ATOM 309 CA GLY A 22 -2.583 -17.005 -6.238 1.00 71.33 C ATOM 310 C GLY A 22 -2.239 -17.141 -4.768 1.00 55.30 C ATOM 311 O GLY A 22 -2.698 -16.353 -3.941 1.00 35.44 O ATOM 0 H GLY A 22 -1.674 -18.271 -7.639 1.00 14.01 H new ATOM 0 HA2 GLY A 22 -1.940 -16.250 -6.690 1.00 71.33 H new ATOM 0 HA3 GLY A 22 -3.609 -16.650 -6.336 1.00 71.33 H new ATOM 315 N SER A 23 -1.430 -18.144 -4.442 1.00 52.31 N ATOM 316 CA SER A 23 -1.030 -18.384 -3.060 1.00 31.20 C ATOM 317 C SER A 23 0.448 -18.753 -2.979 1.00 73.43 C ATOM 318 O SER A 23 1.066 -19.166 -3.961 1.00 43.22 O ATOM 319 CB SER A 23 -1.879 -19.498 -2.446 1.00 51.44 C ATOM 320 OG SER A 23 -3.034 -18.971 -1.815 1.00 24.23 O ATOM 0 H SER A 23 -1.039 -18.803 -5.115 1.00 52.31 H new ATOM 0 HA SER A 23 -1.189 -17.464 -2.497 1.00 31.20 H new ATOM 0 HB2 SER A 23 -2.175 -20.204 -3.222 1.00 51.44 H new ATOM 0 HB3 SER A 23 -1.286 -20.053 -1.720 1.00 51.44 H new ATOM 0 HG SER A 23 -3.561 -19.703 -1.432 1.00 24.23 H new ATOM 326 N PRO A 24 1.031 -18.602 -1.781 1.00 13.40 N ATOM 327 CA PRO A 24 2.443 -18.914 -1.542 1.00 34.35 C ATOM 328 C PRO A 24 2.723 -20.411 -1.597 1.00 53.53 C ATOM 329 O PRO A 24 2.060 -21.202 -0.927 1.00 40.42 O ATOM 330 CB PRO A 24 2.691 -18.375 -0.130 1.00 12.41 C ATOM 331 CG PRO A 24 1.353 -18.395 0.524 1.00 62.31 C ATOM 332 CD PRO A 24 0.355 -18.114 -0.567 1.00 53.31 C ATOM 0 HA PRO A 24 3.091 -18.476 -2.301 1.00 34.35 H new ATOM 0 HB2 PRO A 24 3.405 -18.996 0.411 1.00 12.41 H new ATOM 0 HB3 PRO A 24 3.103 -17.366 -0.158 1.00 12.41 H new ATOM 0 HG2 PRO A 24 1.161 -19.362 0.990 1.00 62.31 H new ATOM 0 HG3 PRO A 24 1.292 -17.644 1.312 1.00 62.31 H new ATOM 0 HD2 PRO A 24 -0.587 -18.635 -0.394 1.00 53.31 H new ATOM 0 HD3 PRO A 24 0.123 -17.051 -0.636 1.00 53.31 H new ATOM 340 N ALA A 25 3.711 -20.795 -2.401 1.00 24.51 N ATOM 341 CA ALA A 25 4.080 -22.197 -2.542 1.00 10.44 C ATOM 342 C ALA A 25 4.757 -22.716 -1.277 1.00 33.45 C ATOM 343 O ALA A 25 5.455 -21.974 -0.586 1.00 43.13 O ATOM 344 CB ALA A 25 4.991 -22.386 -3.745 1.00 61.41 C ATOM 0 H ALA A 25 4.269 -20.153 -2.964 1.00 24.51 H new ATOM 0 HA ALA A 25 3.168 -22.773 -2.698 1.00 10.44 H new ATOM 0 HB1 ALA A 25 5.258 -23.439 -3.837 1.00 61.41 H new ATOM 0 HB2 ALA A 25 4.473 -22.063 -4.648 1.00 61.41 H new ATOM 0 HB3 ALA A 25 5.896 -21.792 -3.613 1.00 61.41 H new ATOM 350 N ILE A 26 4.545 -23.994 -0.981 1.00 22.35 N ATOM 351 CA ILE A 26 5.134 -24.612 0.201 1.00 34.21 C ATOM 352 C ILE A 26 6.237 -25.593 -0.185 1.00 14.43 C ATOM 353 O ILE A 26 6.134 -26.293 -1.190 1.00 25.11 O ATOM 354 CB ILE A 26 4.074 -25.351 1.038 1.00 4.42 C ATOM 355 CG1 ILE A 26 3.130 -24.348 1.704 1.00 3.20 C ATOM 356 CG2 ILE A 26 4.745 -26.231 2.083 1.00 54.14 C ATOM 357 CD1 ILE A 26 2.066 -24.998 2.561 1.00 11.52 C ATOM 0 H ILE A 26 3.970 -24.622 -1.543 1.00 22.35 H new ATOM 0 HA ILE A 26 5.560 -23.807 0.800 1.00 34.21 H new ATOM 0 HB ILE A 26 3.488 -25.989 0.376 1.00 4.42 H new ATOM 0 HG12 ILE A 26 3.715 -23.665 2.320 1.00 3.20 H new ATOM 0 HG13 ILE A 26 2.647 -23.748 0.933 1.00 3.20 H new ATOM 0 HG21 ILE A 26 3.983 -26.747 2.667 1.00 54.14 H new ATOM 0 HG22 ILE A 26 5.381 -26.964 1.587 1.00 54.14 H new ATOM 0 HG23 ILE A 26 5.352 -25.612 2.744 1.00 54.14 H new ATOM 0 HD11 ILE A 26 1.433 -24.228 3.002 1.00 11.52 H new ATOM 0 HD12 ILE A 26 1.457 -25.660 1.945 1.00 11.52 H new ATOM 0 HD13 ILE A 26 2.540 -25.576 3.354 1.00 11.52 H new ATOM 369 N ASN A 27 7.290 -25.639 0.625 1.00 12.42 N ATOM 370 CA ASN A 27 8.411 -26.536 0.370 1.00 73.32 C ATOM 371 C ASN A 27 9.035 -26.252 -0.992 1.00 13.34 C ATOM 372 O ASN A 27 9.232 -27.161 -1.799 1.00 65.22 O ATOM 373 CB ASN A 27 7.952 -27.994 0.439 1.00 73.52 C ATOM 374 CG ASN A 27 7.808 -28.488 1.866 1.00 73.20 C ATOM 375 OD1 ASN A 27 8.095 -29.646 2.165 1.00 43.32 O ATOM 376 ND2 ASN A 27 7.359 -27.608 2.754 1.00 31.42 N ATOM 0 H ASN A 27 7.390 -25.066 1.463 1.00 12.42 H new ATOM 0 HA ASN A 27 9.164 -26.363 1.139 1.00 73.32 H new ATOM 0 HB2 ASN A 27 6.997 -28.096 -0.076 1.00 73.52 H new ATOM 0 HB3 ASN A 27 8.668 -28.623 -0.090 1.00 73.52 H new ATOM 0 HD21 ASN A 27 7.240 -27.883 3.729 1.00 31.42 H new ATOM 0 HD22 ASN A 27 7.133 -26.657 2.461 1.00 31.42 H new ATOM 383 N VAL A 28 9.347 -24.984 -1.242 1.00 10.34 N ATOM 384 CA VAL A 28 9.951 -24.580 -2.507 1.00 3.15 C ATOM 385 C VAL A 28 11.471 -24.540 -2.401 1.00 50.12 C ATOM 386 O VAL A 28 12.043 -23.573 -1.900 1.00 52.30 O ATOM 387 CB VAL A 28 9.442 -23.197 -2.955 1.00 72.20 C ATOM 388 CG1 VAL A 28 10.059 -22.808 -4.290 1.00 40.10 C ATOM 389 CG2 VAL A 28 7.922 -23.190 -3.038 1.00 33.20 C ATOM 0 H VAL A 28 9.192 -24.219 -0.586 1.00 10.34 H new ATOM 0 HA VAL A 28 9.661 -25.324 -3.249 1.00 3.15 H new ATOM 0 HB VAL A 28 9.746 -22.459 -2.213 1.00 72.20 H new ATOM 0 HG11 VAL A 28 9.688 -21.828 -4.591 1.00 40.10 H new ATOM 0 HG12 VAL A 28 11.144 -22.771 -4.192 1.00 40.10 H new ATOM 0 HG13 VAL A 28 9.788 -23.546 -5.045 1.00 40.10 H new ATOM 0 HG21 VAL A 28 7.580 -22.205 -3.356 1.00 33.20 H new ATOM 0 HG22 VAL A 28 7.594 -23.939 -3.759 1.00 33.20 H new ATOM 0 HG23 VAL A 28 7.503 -23.421 -2.059 1.00 33.20 H new ATOM 399 N ALA A 29 12.120 -25.598 -2.877 1.00 21.11 N ATOM 400 CA ALA A 29 13.575 -25.683 -2.840 1.00 13.43 C ATOM 401 C ALA A 29 14.213 -24.453 -3.478 1.00 73.30 C ATOM 402 O ALA A 29 14.160 -24.276 -4.695 1.00 24.22 O ATOM 403 CB ALA A 29 14.048 -26.949 -3.538 1.00 1.22 C ATOM 0 H ALA A 29 11.661 -26.408 -3.293 1.00 21.11 H new ATOM 0 HA ALA A 29 13.886 -25.720 -1.796 1.00 13.43 H new ATOM 0 HB1 ALA A 29 15.136 -26.999 -3.503 1.00 1.22 H new ATOM 0 HB2 ALA A 29 13.628 -27.820 -3.035 1.00 1.22 H new ATOM 0 HB3 ALA A 29 13.719 -26.936 -4.577 1.00 1.22 H new ATOM 409 N VAL A 30 14.816 -23.608 -2.648 1.00 52.51 N ATOM 410 CA VAL A 30 15.466 -22.396 -3.133 1.00 62.05 C ATOM 411 C VAL A 30 16.950 -22.389 -2.782 1.00 64.44 C ATOM 412 O VAL A 30 17.349 -22.866 -1.719 1.00 3.33 O ATOM 413 CB VAL A 30 14.806 -21.133 -2.546 1.00 11.02 C ATOM 414 CG1 VAL A 30 15.464 -19.880 -3.102 1.00 43.41 C ATOM 415 CG2 VAL A 30 13.312 -21.132 -2.831 1.00 50.55 C ATOM 0 H VAL A 30 14.868 -23.740 -1.638 1.00 52.51 H new ATOM 0 HA VAL A 30 15.352 -22.388 -4.217 1.00 62.05 H new ATOM 0 HB VAL A 30 14.946 -21.139 -1.465 1.00 11.02 H new ATOM 0 HG11 VAL A 30 14.985 -18.998 -2.676 1.00 43.41 H new ATOM 0 HG12 VAL A 30 16.523 -19.879 -2.842 1.00 43.41 H new ATOM 0 HG13 VAL A 30 15.357 -19.863 -4.187 1.00 43.41 H new ATOM 0 HG21 VAL A 30 12.862 -20.233 -2.410 1.00 50.55 H new ATOM 0 HG22 VAL A 30 13.147 -21.150 -3.908 1.00 50.55 H new ATOM 0 HG23 VAL A 30 12.855 -22.013 -2.380 1.00 50.55 H new ATOM 425 N HIS A 31 17.763 -21.846 -3.681 1.00 4.33 N ATOM 426 CA HIS A 31 19.203 -21.776 -3.467 1.00 20.44 C ATOM 427 C HIS A 31 19.729 -20.373 -3.756 1.00 70.41 C ATOM 428 O HIS A 31 19.188 -19.658 -4.600 1.00 62.13 O ATOM 429 CB HIS A 31 19.922 -22.794 -4.352 1.00 42.03 C ATOM 430 CG HIS A 31 19.214 -24.111 -4.446 1.00 51.24 C ATOM 431 ND1 HIS A 31 19.029 -24.783 -5.637 1.00 72.51 N ATOM 432 CD2 HIS A 31 18.646 -24.881 -3.489 1.00 21.01 C ATOM 433 CE1 HIS A 31 18.376 -25.908 -5.408 1.00 63.14 C ATOM 434 NE2 HIS A 31 18.132 -25.991 -4.113 1.00 23.04 N ATOM 0 H HIS A 31 17.449 -21.448 -4.566 1.00 4.33 H new ATOM 0 HA HIS A 31 19.401 -22.011 -2.421 1.00 20.44 H new ATOM 0 HB2 HIS A 31 20.033 -22.378 -5.353 1.00 42.03 H new ATOM 0 HB3 HIS A 31 20.926 -22.958 -3.961 1.00 42.03 H new ATOM 0 HD2 HIS A 31 18.605 -24.663 -2.432 1.00 21.01 H new ATOM 0 HE1 HIS A 31 18.090 -26.636 -6.153 1.00 63.14 H new ATOM 0 HE2 HIS A 31 17.641 -26.756 -3.651 1.00 23.04 H new ATOM 442 N VAL A 32 20.784 -19.984 -3.049 1.00 33.14 N ATOM 443 CA VAL A 32 21.384 -18.667 -3.229 1.00 13.25 C ATOM 444 C VAL A 32 22.895 -18.769 -3.402 1.00 62.02 C ATOM 445 O VAL A 32 23.587 -19.355 -2.570 1.00 63.22 O ATOM 446 CB VAL A 32 21.075 -17.742 -2.037 1.00 11.21 C ATOM 447 CG1 VAL A 32 21.450 -16.304 -2.365 1.00 62.34 C ATOM 448 CG2 VAL A 32 19.608 -17.844 -1.649 1.00 30.45 C ATOM 0 H VAL A 32 21.242 -20.563 -2.345 1.00 33.14 H new ATOM 0 HA VAL A 32 20.947 -18.241 -4.132 1.00 13.25 H new ATOM 0 HB VAL A 32 21.675 -18.063 -1.186 1.00 11.21 H new ATOM 0 HG11 VAL A 32 21.224 -15.665 -1.511 1.00 62.34 H new ATOM 0 HG12 VAL A 32 22.515 -16.248 -2.589 1.00 62.34 H new ATOM 0 HG13 VAL A 32 20.879 -15.967 -3.230 1.00 62.34 H new ATOM 0 HG21 VAL A 32 19.408 -17.184 -0.805 1.00 30.45 H new ATOM 0 HG22 VAL A 32 18.987 -17.550 -2.495 1.00 30.45 H new ATOM 0 HG23 VAL A 32 19.376 -18.872 -1.368 1.00 30.45 H new ATOM 458 N PHE A 33 23.400 -18.195 -4.488 1.00 14.51 N ATOM 459 CA PHE A 33 24.831 -18.221 -4.771 1.00 10.33 C ATOM 460 C PHE A 33 25.390 -16.805 -4.881 1.00 51.44 C ATOM 461 O PHE A 33 24.643 -15.845 -5.069 1.00 61.13 O ATOM 462 CB PHE A 33 25.102 -18.990 -6.066 1.00 54.22 C ATOM 463 CG PHE A 33 24.708 -20.438 -5.997 1.00 35.32 C ATOM 464 CD1 PHE A 33 23.375 -20.810 -6.050 1.00 23.55 C ATOM 465 CD2 PHE A 33 25.672 -21.426 -5.876 1.00 63.43 C ATOM 466 CE1 PHE A 33 23.009 -22.142 -5.987 1.00 31.23 C ATOM 467 CE2 PHE A 33 25.311 -22.760 -5.813 1.00 51.24 C ATOM 468 CZ PHE A 33 23.978 -23.117 -5.867 1.00 15.51 C ATOM 0 H PHE A 33 22.841 -17.706 -5.187 1.00 14.51 H new ATOM 0 HA PHE A 33 25.330 -18.727 -3.944 1.00 10.33 H new ATOM 0 HB2 PHE A 33 24.560 -18.513 -6.883 1.00 54.22 H new ATOM 0 HB3 PHE A 33 26.163 -18.921 -6.305 1.00 54.22 H new ATOM 0 HD1 PHE A 33 22.612 -20.051 -6.142 1.00 23.55 H new ATOM 0 HD2 PHE A 33 26.716 -21.152 -5.830 1.00 63.43 H new ATOM 0 HE1 PHE A 33 21.966 -22.419 -6.032 1.00 31.23 H new ATOM 0 HE2 PHE A 33 26.071 -23.522 -5.722 1.00 51.24 H new ATOM 0 HZ PHE A 33 23.694 -24.158 -5.815 1.00 15.51 H new ATOM 478 N ARG A 34 26.708 -16.684 -4.762 1.00 32.15 N ATOM 479 CA ARG A 34 27.367 -15.387 -4.845 1.00 13.44 C ATOM 480 C ARG A 34 28.395 -15.371 -5.974 1.00 21.02 C ATOM 481 O ARG A 34 29.035 -16.383 -6.259 1.00 3.34 O ATOM 482 CB ARG A 34 28.048 -15.050 -3.518 1.00 72.25 C ATOM 483 CG ARG A 34 29.359 -15.787 -3.301 1.00 3.34 C ATOM 484 CD ARG A 34 29.969 -15.453 -1.948 1.00 53.42 C ATOM 485 NE ARG A 34 30.709 -16.581 -1.389 1.00 31.04 N ATOM 486 CZ ARG A 34 30.996 -16.704 -0.097 1.00 34.30 C ATOM 487 NH1 ARG A 34 30.605 -15.775 0.763 1.00 44.53 N1+ ATOM 488 NH2 ARG A 34 31.674 -17.760 0.335 1.00 2.43 N ATOM 0 H ARG A 34 27.341 -17.469 -4.608 1.00 32.15 H new ATOM 0 HA ARG A 34 26.607 -14.635 -5.057 1.00 13.44 H new ATOM 0 HB2 ARG A 34 28.233 -13.977 -3.477 1.00 72.25 H new ATOM 0 HB3 ARG A 34 27.368 -15.287 -2.700 1.00 72.25 H new ATOM 0 HG2 ARG A 34 29.189 -16.862 -3.369 1.00 3.34 H new ATOM 0 HG3 ARG A 34 30.061 -15.524 -4.093 1.00 3.34 H new ATOM 0 HD2 ARG A 34 30.636 -14.597 -2.052 1.00 53.42 H new ATOM 0 HD3 ARG A 34 29.179 -15.159 -1.257 1.00 53.42 H new ATOM 0 HE ARG A 34 31.023 -17.314 -2.025 1.00 31.04 H new ATOM 0 HH11 ARG A 34 30.082 -14.963 0.434 1.00 44.53 H new ATOM 0 HH12 ARG A 34 30.826 -15.872 1.754 1.00 44.53 H new ATOM 0 HH21 ARG A 34 31.975 -18.478 -0.325 1.00 2.43 H new ATOM 0 HH22 ARG A 34 31.894 -17.854 1.327 1.00 2.43 H new ATOM 502 N LYS A 35 28.546 -14.216 -6.613 1.00 54.20 N ATOM 503 CA LYS A 35 29.495 -14.067 -7.710 1.00 73.31 C ATOM 504 C LYS A 35 30.931 -14.123 -7.199 1.00 71.34 C ATOM 505 O LYS A 35 31.349 -13.283 -6.404 1.00 63.22 O ATOM 506 CB LYS A 35 29.255 -12.745 -8.442 1.00 24.12 C ATOM 507 CG LYS A 35 30.385 -12.355 -9.381 1.00 14.42 C ATOM 508 CD LYS A 35 30.590 -13.396 -10.468 1.00 34.13 C ATOM 509 CE LYS A 35 29.445 -13.386 -11.471 1.00 42.22 C ATOM 510 NZ LYS A 35 29.450 -12.154 -12.306 1.00 53.31 N1+ ATOM 0 H LYS A 35 28.023 -13.369 -6.390 1.00 54.20 H new ATOM 0 HA LYS A 35 29.342 -14.893 -8.404 1.00 73.31 H new ATOM 0 HB2 LYS A 35 28.329 -12.818 -9.012 1.00 24.12 H new ATOM 0 HB3 LYS A 35 29.115 -11.953 -7.707 1.00 24.12 H new ATOM 0 HG2 LYS A 35 30.164 -11.390 -9.837 1.00 14.42 H new ATOM 0 HG3 LYS A 35 31.307 -12.235 -8.812 1.00 14.42 H new ATOM 0 HD2 LYS A 35 31.530 -13.204 -10.985 1.00 34.13 H new ATOM 0 HD3 LYS A 35 30.671 -14.385 -10.016 1.00 34.13 H new ATOM 0 HE2 LYS A 35 29.519 -14.262 -12.116 1.00 42.22 H new ATOM 0 HE3 LYS A 35 28.496 -13.461 -10.940 1.00 42.22 H new ATOM 0 HZ1 LYS A 35 28.830 -12.291 -13.130 1.00 53.31 H new ATOM 0 HZ2 LYS A 35 29.104 -11.351 -11.742 1.00 53.31 H new ATOM 0 HZ3 LYS A 35 30.419 -11.958 -12.630 1.00 53.31 H new ATOM 524 N ALA A 36 31.680 -15.119 -7.660 1.00 33.44 N ATOM 525 CA ALA A 36 33.070 -15.282 -7.252 1.00 70.02 C ATOM 526 C ALA A 36 33.994 -14.401 -8.086 1.00 20.11 C ATOM 527 O ALA A 36 33.538 -13.628 -8.927 1.00 35.22 O ATOM 528 CB ALA A 36 33.484 -16.741 -7.364 1.00 3.22 C ATOM 0 H ALA A 36 31.348 -15.825 -8.316 1.00 33.44 H new ATOM 0 HA ALA A 36 33.157 -14.970 -6.211 1.00 70.02 H new ATOM 0 HB1 ALA A 36 34.524 -16.849 -7.056 1.00 3.22 H new ATOM 0 HB2 ALA A 36 32.850 -17.350 -6.719 1.00 3.22 H new ATOM 0 HB3 ALA A 36 33.375 -17.072 -8.397 1.00 3.22 H new ATOM 534 N ALA A 37 35.295 -14.524 -7.847 1.00 24.23 N ATOM 535 CA ALA A 37 36.284 -13.740 -8.577 1.00 41.33 C ATOM 536 C ALA A 37 36.580 -14.360 -9.937 1.00 62.24 C ATOM 537 O ALA A 37 37.261 -13.759 -10.769 1.00 15.13 O ATOM 538 CB ALA A 37 37.563 -13.613 -7.762 1.00 20.34 C ATOM 0 H ALA A 37 35.689 -15.159 -7.153 1.00 24.23 H new ATOM 0 HA ALA A 37 35.872 -12.745 -8.743 1.00 41.33 H new ATOM 0 HB1 ALA A 37 38.293 -13.025 -8.319 1.00 20.34 H new ATOM 0 HB2 ALA A 37 37.344 -13.118 -6.816 1.00 20.34 H new ATOM 0 HB3 ALA A 37 37.970 -14.605 -7.566 1.00 20.34 H new ATOM 544 N ASP A 38 36.065 -15.565 -10.158 1.00 62.14 N ATOM 545 CA ASP A 38 36.275 -16.266 -11.420 1.00 4.12 C ATOM 546 C ASP A 38 35.020 -16.212 -12.286 1.00 0.42 C ATOM 547 O ASP A 38 34.774 -17.106 -13.095 1.00 23.13 O ATOM 548 CB ASP A 38 36.667 -17.721 -11.159 1.00 0.10 C ATOM 549 CG ASP A 38 37.458 -18.322 -12.305 1.00 65.21 C ATOM 550 OD1 ASP A 38 37.725 -17.597 -13.286 1.00 40.31 O1- ATOM 551 OD2 ASP A 38 37.810 -19.516 -12.220 1.00 5.41 O ATOM 0 H ASP A 38 35.500 -16.076 -9.480 1.00 62.14 H new ATOM 0 HA ASP A 38 37.085 -15.769 -11.954 1.00 4.12 H new ATOM 0 HB2 ASP A 38 37.258 -17.777 -10.245 1.00 0.10 H new ATOM 0 HB3 ASP A 38 35.767 -18.313 -10.993 1.00 0.10 H new ATOM 556 N ASP A 39 34.231 -15.158 -12.109 1.00 22.23 N ATOM 557 CA ASP A 39 33.001 -14.987 -12.874 1.00 13.11 C ATOM 558 C ASP A 39 32.071 -16.181 -12.684 1.00 31.25 C ATOM 559 O ASP A 39 31.250 -16.488 -13.549 1.00 44.13 O ATOM 560 CB ASP A 39 33.321 -14.806 -14.359 1.00 2.13 C ATOM 561 CG ASP A 39 34.003 -13.483 -14.648 1.00 55.52 C ATOM 562 OD1 ASP A 39 33.368 -12.429 -14.434 1.00 75.13 O1- ATOM 563 OD2 ASP A 39 35.171 -13.502 -15.088 1.00 22.43 O ATOM 0 H ASP A 39 34.421 -14.409 -11.443 1.00 22.23 H new ATOM 0 HA ASP A 39 32.495 -14.094 -12.507 1.00 13.11 H new ATOM 0 HB2 ASP A 39 33.962 -15.622 -14.691 1.00 2.13 H new ATOM 0 HB3 ASP A 39 32.399 -14.870 -14.937 1.00 2.13 H new ATOM 568 N THR A 40 32.206 -16.854 -11.545 1.00 30.11 N ATOM 569 CA THR A 40 31.381 -18.015 -11.241 1.00 25.33 C ATOM 570 C THR A 40 30.419 -17.722 -10.096 1.00 51.15 C ATOM 571 O THR A 40 30.373 -16.604 -9.583 1.00 63.30 O ATOM 572 CB THR A 40 32.243 -19.237 -10.871 1.00 62.55 C ATOM 573 OG1 THR A 40 32.974 -18.974 -9.668 1.00 73.04 O ATOM 574 CG2 THR A 40 33.211 -19.577 -11.995 1.00 33.22 C ATOM 0 H THR A 40 32.880 -16.614 -10.818 1.00 30.11 H new ATOM 0 HA THR A 40 30.811 -18.241 -12.142 1.00 25.33 H new ATOM 0 HB THR A 40 31.580 -20.088 -10.714 1.00 62.55 H new ATOM 0 HG1 THR A 40 33.518 -19.756 -9.438 1.00 73.04 H new ATOM 0 HG21 THR A 40 33.809 -20.443 -11.711 1.00 33.22 H new ATOM 0 HG22 THR A 40 32.650 -19.805 -12.902 1.00 33.22 H new ATOM 0 HG23 THR A 40 33.868 -18.727 -12.179 1.00 33.22 H new ATOM 582 N TRP A 41 29.653 -18.732 -9.698 1.00 51.02 N ATOM 583 CA TRP A 41 28.692 -18.581 -8.612 1.00 63.44 C ATOM 584 C TRP A 41 28.951 -19.603 -7.510 1.00 42.43 C ATOM 585 O TRP A 41 28.796 -20.806 -7.720 1.00 72.23 O ATOM 586 CB TRP A 41 27.265 -18.733 -9.141 1.00 61.33 C ATOM 587 CG TRP A 41 26.928 -17.759 -10.228 1.00 74.13 C ATOM 588 CD1 TRP A 41 26.882 -18.011 -11.570 1.00 3.01 C ATOM 589 CD2 TRP A 41 26.590 -16.377 -10.067 1.00 44.13 C ATOM 590 NE1 TRP A 41 26.538 -16.869 -12.252 1.00 54.41 N ATOM 591 CE2 TRP A 41 26.351 -15.852 -11.352 1.00 1.20 C ATOM 592 CE3 TRP A 41 26.464 -15.531 -8.961 1.00 51.42 C ATOM 593 CZ2 TRP A 41 25.996 -14.522 -11.559 1.00 72.03 C ATOM 594 CZ3 TRP A 41 26.111 -14.212 -9.169 1.00 23.02 C ATOM 595 CH2 TRP A 41 25.880 -13.717 -10.459 1.00 4.00 C ATOM 0 H TRP A 41 29.679 -19.664 -10.111 1.00 51.02 H new ATOM 0 HA TRP A 41 28.811 -17.583 -8.191 1.00 63.44 H new ATOM 0 HB2 TRP A 41 27.131 -19.747 -9.517 1.00 61.33 H new ATOM 0 HB3 TRP A 41 26.564 -18.603 -8.317 1.00 61.33 H new ATOM 0 HD1 TRP A 41 27.086 -18.968 -12.028 1.00 3.01 H new ATOM 0 HE1 TRP A 41 26.438 -16.791 -13.264 1.00 54.41 H new ATOM 0 HE3 TRP A 41 26.640 -15.902 -7.962 1.00 51.42 H new ATOM 0 HZ2 TRP A 41 25.818 -14.139 -12.553 1.00 72.03 H new ATOM 0 HZ3 TRP A 41 26.011 -13.550 -8.322 1.00 23.02 H new ATOM 0 HH2 TRP A 41 25.605 -12.680 -10.588 1.00 4.00 H new ATOM 606 N GLU A 42 29.345 -19.116 -6.338 1.00 14.31 N ATOM 607 CA GLU A 42 29.625 -19.990 -5.205 1.00 22.31 C ATOM 608 C GLU A 42 28.394 -20.138 -4.315 1.00 30.22 C ATOM 609 O GLU A 42 27.490 -19.302 -4.316 1.00 23.11 O ATOM 610 CB GLU A 42 30.796 -19.441 -4.386 1.00 42.11 C ATOM 611 CG GLU A 42 32.157 -19.853 -4.919 1.00 72.32 C ATOM 612 CD GLU A 42 33.216 -19.906 -3.834 1.00 0.20 C ATOM 613 OE1 GLU A 42 33.111 -19.127 -2.863 1.00 22.10 O1- ATOM 614 OE2 GLU A 42 34.150 -20.726 -3.957 1.00 22.45 O ATOM 0 H GLU A 42 29.477 -18.123 -6.148 1.00 14.31 H new ATOM 0 HA GLU A 42 29.892 -20.973 -5.594 1.00 22.31 H new ATOM 0 HB2 GLU A 42 30.737 -18.353 -4.367 1.00 42.11 H new ATOM 0 HB3 GLU A 42 30.700 -19.783 -3.356 1.00 42.11 H new ATOM 0 HG2 GLU A 42 32.077 -20.832 -5.392 1.00 72.32 H new ATOM 0 HG3 GLU A 42 32.469 -19.150 -5.692 1.00 72.32 H new ATOM 621 N PRO A 43 28.355 -21.231 -3.536 1.00 55.32 N ATOM 622 CA PRO A 43 27.241 -21.516 -2.627 1.00 0.45 C ATOM 623 C PRO A 43 27.194 -20.552 -1.447 1.00 61.23 C ATOM 624 O PRO A 43 28.142 -20.466 -0.665 1.00 55.41 O ATOM 625 CB PRO A 43 27.533 -22.939 -2.145 1.00 61.34 C ATOM 626 CG PRO A 43 29.008 -23.092 -2.285 1.00 40.42 C ATOM 627 CD PRO A 43 29.398 -22.270 -3.483 1.00 75.22 C ATOM 0 HA PRO A 43 26.275 -21.408 -3.119 1.00 0.45 H new ATOM 0 HB2 PRO A 43 27.217 -23.079 -1.111 1.00 61.34 H new ATOM 0 HB3 PRO A 43 27.000 -23.677 -2.744 1.00 61.34 H new ATOM 0 HG2 PRO A 43 29.523 -22.745 -1.389 1.00 40.42 H new ATOM 0 HG3 PRO A 43 29.280 -24.138 -2.424 1.00 40.42 H new ATOM 0 HD2 PRO A 43 30.392 -21.837 -3.367 1.00 75.22 H new ATOM 0 HD3 PRO A 43 29.415 -22.869 -4.393 1.00 75.22 H new ATOM 635 N PHE A 44 26.086 -19.830 -1.322 1.00 1.12 N ATOM 636 CA PHE A 44 25.917 -18.871 -0.236 1.00 62.35 C ATOM 637 C PHE A 44 24.929 -19.396 0.803 1.00 72.22 C ATOM 638 O PHE A 44 25.251 -19.494 1.986 1.00 41.04 O ATOM 639 CB PHE A 44 25.433 -17.527 -0.784 1.00 22.21 C ATOM 640 CG PHE A 44 25.234 -16.484 0.277 1.00 51.13 C ATOM 641 CD1 PHE A 44 26.320 -15.867 0.874 1.00 54.50 C ATOM 642 CD2 PHE A 44 23.957 -16.120 0.678 1.00 44.44 C ATOM 643 CE1 PHE A 44 26.139 -14.906 1.852 1.00 13.33 C ATOM 644 CE2 PHE A 44 23.770 -15.160 1.654 1.00 23.30 C ATOM 645 CZ PHE A 44 24.863 -14.552 2.242 1.00 2.44 C ATOM 0 H PHE A 44 25.292 -19.890 -1.959 1.00 1.12 H new ATOM 0 HA PHE A 44 26.885 -18.731 0.246 1.00 62.35 H new ATOM 0 HB2 PHE A 44 26.156 -17.159 -1.513 1.00 22.21 H new ATOM 0 HB3 PHE A 44 24.493 -17.677 -1.315 1.00 22.21 H new ATOM 0 HD1 PHE A 44 27.321 -16.139 0.572 1.00 54.50 H new ATOM 0 HD2 PHE A 44 23.099 -16.592 0.222 1.00 44.44 H new ATOM 0 HE1 PHE A 44 26.995 -14.433 2.310 1.00 13.33 H new ATOM 0 HE2 PHE A 44 22.771 -14.885 1.957 1.00 23.30 H new ATOM 0 HZ PHE A 44 24.719 -13.801 3.005 1.00 2.44 H new ATOM 655 N ALA A 45 23.725 -19.729 0.349 1.00 74.54 N ATOM 656 CA ALA A 45 22.690 -20.244 1.238 1.00 71.13 C ATOM 657 C ALA A 45 21.661 -21.063 0.466 1.00 63.11 C ATOM 658 O ALA A 45 21.724 -21.160 -0.760 1.00 0.42 O ATOM 659 CB ALA A 45 22.011 -19.100 1.976 1.00 14.12 C ATOM 0 H ALA A 45 23.442 -19.652 -0.628 1.00 74.54 H new ATOM 0 HA ALA A 45 23.165 -20.900 1.967 1.00 71.13 H new ATOM 0 HB1 ALA A 45 21.241 -19.499 2.636 1.00 14.12 H new ATOM 0 HB2 ALA A 45 22.750 -18.559 2.567 1.00 14.12 H new ATOM 0 HB3 ALA A 45 21.555 -18.422 1.255 1.00 14.12 H new ATOM 665 N SER A 46 20.714 -21.651 1.190 1.00 60.52 N ATOM 666 CA SER A 46 19.675 -22.465 0.572 1.00 52.32 C ATOM 667 C SER A 46 18.608 -22.848 1.593 1.00 40.50 C ATOM 668 O SER A 46 18.884 -22.953 2.788 1.00 65.02 O ATOM 669 CB SER A 46 20.283 -23.726 -0.044 1.00 70.12 C ATOM 670 OG SER A 46 19.354 -24.796 -0.037 1.00 13.53 O ATOM 0 H SER A 46 20.645 -21.579 2.205 1.00 60.52 H new ATOM 0 HA SER A 46 19.206 -21.875 -0.216 1.00 52.32 H new ATOM 0 HB2 SER A 46 20.597 -23.520 -1.067 1.00 70.12 H new ATOM 0 HB3 SER A 46 21.176 -24.012 0.512 1.00 70.12 H new ATOM 0 HG SER A 46 19.766 -25.590 -0.438 1.00 13.53 H new ATOM 676 N GLY A 47 17.385 -23.056 1.113 1.00 11.14 N ATOM 677 CA GLY A 47 16.294 -23.425 1.995 1.00 1.53 C ATOM 678 C GLY A 47 14.966 -23.511 1.270 1.00 63.12 C ATOM 679 O GLY A 47 14.885 -23.242 0.072 1.00 62.23 O ATOM 0 H GLY A 47 17.131 -22.975 0.128 1.00 11.14 H new ATOM 0 HA2 GLY A 47 16.515 -24.387 2.458 1.00 1.53 H new ATOM 0 HA3 GLY A 47 16.218 -22.694 2.800 1.00 1.53 H new ATOM 683 N LYS A 48 13.920 -23.890 1.998 1.00 51.41 N ATOM 684 CA LYS A 48 12.588 -24.013 1.418 1.00 3.33 C ATOM 685 C LYS A 48 11.626 -23.009 2.046 1.00 14.54 C ATOM 686 O LYS A 48 11.927 -22.405 3.076 1.00 53.10 O ATOM 687 CB LYS A 48 12.055 -25.434 1.609 1.00 54.50 C ATOM 688 CG LYS A 48 12.901 -26.497 0.929 1.00 35.21 C ATOM 689 CD LYS A 48 12.379 -27.895 1.219 1.00 13.00 C ATOM 690 CE LYS A 48 13.348 -28.963 0.735 1.00 55.05 C ATOM 691 NZ LYS A 48 12.986 -30.314 1.249 1.00 60.34 N1+ ATOM 0 H LYS A 48 13.970 -24.117 2.991 1.00 51.41 H new ATOM 0 HA LYS A 48 12.663 -23.800 0.352 1.00 3.33 H new ATOM 0 HB2 LYS A 48 12.000 -25.652 2.676 1.00 54.50 H new ATOM 0 HB3 LYS A 48 11.038 -25.487 1.220 1.00 54.50 H new ATOM 0 HG2 LYS A 48 12.906 -26.326 -0.147 1.00 35.21 H new ATOM 0 HG3 LYS A 48 13.933 -26.415 1.270 1.00 35.21 H new ATOM 0 HD2 LYS A 48 12.216 -28.009 2.291 1.00 13.00 H new ATOM 0 HD3 LYS A 48 11.413 -28.032 0.733 1.00 13.00 H new ATOM 0 HE2 LYS A 48 13.356 -28.979 -0.355 1.00 55.05 H new ATOM 0 HE3 LYS A 48 14.358 -28.710 1.058 1.00 55.05 H new ATOM 0 HZ1 LYS A 48 13.670 -31.014 0.897 1.00 60.34 H new ATOM 0 HZ2 LYS A 48 13.003 -30.306 2.289 1.00 60.34 H new ATOM 0 HZ3 LYS A 48 12.032 -30.566 0.920 1.00 60.34 H new ATOM 705 N THR A 49 10.466 -22.836 1.421 1.00 35.43 N ATOM 706 CA THR A 49 9.460 -21.907 1.918 1.00 51.31 C ATOM 707 C THR A 49 8.380 -22.637 2.708 1.00 3.20 C ATOM 708 O THR A 49 8.341 -23.867 2.735 1.00 55.41 O ATOM 709 CB THR A 49 8.798 -21.126 0.767 1.00 40.10 C ATOM 710 OG1 THR A 49 7.991 -22.006 -0.022 1.00 34.44 O ATOM 711 CG2 THR A 49 9.850 -20.467 -0.114 1.00 72.54 C ATOM 0 H THR A 49 10.200 -23.328 0.568 1.00 35.43 H new ATOM 0 HA THR A 49 9.975 -21.205 2.574 1.00 51.31 H new ATOM 0 HB THR A 49 8.169 -20.348 1.199 1.00 40.10 H new ATOM 0 HG1 THR A 49 7.110 -21.602 -0.164 1.00 34.44 H new ATOM 0 HG21 THR A 49 9.360 -19.921 -0.920 1.00 72.54 H new ATOM 0 HG22 THR A 49 10.444 -19.775 0.484 1.00 72.54 H new ATOM 0 HG23 THR A 49 10.501 -21.232 -0.537 1.00 72.54 H new ATOM 719 N SER A 50 7.504 -21.871 3.350 1.00 13.14 N ATOM 720 CA SER A 50 6.424 -22.446 4.145 1.00 23.01 C ATOM 721 C SER A 50 5.065 -21.998 3.617 1.00 61.40 C ATOM 722 O SER A 50 4.961 -21.463 2.514 1.00 4.13 O ATOM 723 CB SER A 50 6.573 -22.043 5.613 1.00 14.25 C ATOM 724 OG SER A 50 7.904 -22.230 6.062 1.00 22.21 O ATOM 0 H SER A 50 7.520 -20.851 3.336 1.00 13.14 H new ATOM 0 HA SER A 50 6.485 -23.531 4.067 1.00 23.01 H new ATOM 0 HB2 SER A 50 6.288 -20.998 5.737 1.00 14.25 H new ATOM 0 HB3 SER A 50 5.893 -22.634 6.226 1.00 14.25 H new ATOM 0 HG SER A 50 7.972 -21.963 7.003 1.00 22.21 H new ATOM 730 N GLU A 51 4.024 -22.221 4.415 1.00 40.23 N ATOM 731 CA GLU A 51 2.671 -21.841 4.029 1.00 60.32 C ATOM 732 C GLU A 51 2.579 -20.340 3.772 1.00 42.55 C ATOM 733 O GLU A 51 1.648 -19.867 3.120 1.00 73.13 O ATOM 734 CB GLU A 51 1.673 -22.246 5.116 1.00 71.34 C ATOM 735 CG GLU A 51 2.126 -21.886 6.521 1.00 5.20 C ATOM 736 CD GLU A 51 1.075 -21.110 7.291 1.00 50.43 C ATOM 737 OE1 GLU A 51 -0.114 -21.486 7.214 1.00 12.23 O ATOM 738 OE2 GLU A 51 1.440 -20.128 7.970 1.00 51.42 O1- ATOM 0 H GLU A 51 4.093 -22.663 5.332 1.00 40.23 H new ATOM 0 HA GLU A 51 2.424 -22.366 3.106 1.00 60.32 H new ATOM 0 HB2 GLU A 51 0.716 -21.764 4.917 1.00 71.34 H new ATOM 0 HB3 GLU A 51 1.505 -23.322 5.061 1.00 71.34 H new ATOM 0 HG2 GLU A 51 2.370 -22.798 7.065 1.00 5.20 H new ATOM 0 HG3 GLU A 51 3.040 -21.295 6.464 1.00 5.20 H new ATOM 745 N SER A 52 3.551 -19.596 4.290 1.00 0.31 N ATOM 746 CA SER A 52 3.579 -18.148 4.122 1.00 24.21 C ATOM 747 C SER A 52 4.320 -17.764 2.844 1.00 24.50 C ATOM 748 O SER A 52 4.204 -16.639 2.362 1.00 12.24 O ATOM 749 CB SER A 52 4.244 -17.486 5.330 1.00 63.01 C ATOM 750 OG SER A 52 3.764 -16.165 5.515 1.00 15.33 O ATOM 0 H SER A 52 4.330 -19.973 4.830 1.00 0.31 H new ATOM 0 HA SER A 52 2.550 -17.796 4.045 1.00 24.21 H new ATOM 0 HB2 SER A 52 4.049 -18.076 6.225 1.00 63.01 H new ATOM 0 HB3 SER A 52 5.325 -17.467 5.190 1.00 63.01 H new ATOM 0 HG SER A 52 4.515 -15.536 5.479 1.00 15.33 H new ATOM 756 N GLY A 53 5.081 -18.710 2.302 1.00 45.14 N ATOM 757 CA GLY A 53 5.829 -18.452 1.087 1.00 60.22 C ATOM 758 C GLY A 53 7.116 -17.693 1.347 1.00 74.10 C ATOM 759 O GLY A 53 7.879 -17.417 0.422 1.00 12.51 O ATOM 0 H GLY A 53 5.192 -19.650 2.683 1.00 45.14 H new ATOM 0 HA2 GLY A 53 6.062 -19.399 0.599 1.00 60.22 H new ATOM 0 HA3 GLY A 53 5.208 -17.882 0.396 1.00 60.22 H new ATOM 763 N GLU A 54 7.355 -17.354 2.610 1.00 43.33 N ATOM 764 CA GLU A 54 8.556 -16.619 2.989 1.00 51.21 C ATOM 765 C GLU A 54 9.668 -17.576 3.413 1.00 32.34 C ATOM 766 O GLU A 54 9.408 -18.617 4.018 1.00 45.34 O ATOM 767 CB GLU A 54 8.247 -15.643 4.125 1.00 52.21 C ATOM 768 CG GLU A 54 6.946 -14.882 3.936 1.00 3.13 C ATOM 769 CD GLU A 54 6.616 -13.989 5.117 1.00 12.04 C ATOM 770 OE1 GLU A 54 7.551 -13.388 5.685 1.00 73.43 O1- ATOM 771 OE2 GLU A 54 5.422 -13.891 5.473 1.00 3.21 O ATOM 0 H GLU A 54 6.733 -17.576 3.387 1.00 43.33 H new ATOM 0 HA GLU A 54 8.896 -16.056 2.120 1.00 51.21 H new ATOM 0 HB2 GLU A 54 8.203 -16.194 5.064 1.00 52.21 H new ATOM 0 HB3 GLU A 54 9.066 -14.929 4.213 1.00 52.21 H new ATOM 0 HG2 GLU A 54 7.012 -14.275 3.033 1.00 3.13 H new ATOM 0 HG3 GLU A 54 6.133 -15.592 3.784 1.00 3.13 H new ATOM 778 N LEU A 55 10.905 -17.215 3.093 1.00 2.41 N ATOM 779 CA LEU A 55 12.057 -18.040 3.440 1.00 22.44 C ATOM 780 C LEU A 55 13.159 -17.198 4.074 1.00 75.42 C ATOM 781 O LEU A 55 13.854 -16.449 3.388 1.00 42.00 O ATOM 782 CB LEU A 55 12.593 -18.752 2.196 1.00 1.43 C ATOM 783 CG LEU A 55 13.943 -19.452 2.353 1.00 62.34 C ATOM 784 CD1 LEU A 55 13.929 -20.372 3.564 1.00 65.40 C ATOM 785 CD2 LEU A 55 14.290 -20.230 1.093 1.00 12.22 C ATOM 0 H LEU A 55 11.137 -16.356 2.594 1.00 2.41 H new ATOM 0 HA LEU A 55 11.733 -18.786 4.166 1.00 22.44 H new ATOM 0 HB2 LEU A 55 11.857 -19.492 1.880 1.00 1.43 H new ATOM 0 HB3 LEU A 55 12.676 -18.021 1.391 1.00 1.43 H new ATOM 0 HG LEU A 55 14.709 -18.692 2.509 1.00 62.34 H new ATOM 0 HD11 LEU A 55 14.898 -20.862 3.660 1.00 65.40 H new ATOM 0 HD12 LEU A 55 13.727 -19.788 4.462 1.00 65.40 H new ATOM 0 HD13 LEU A 55 13.152 -21.126 3.439 1.00 65.40 H new ATOM 0 HD21 LEU A 55 15.254 -20.722 1.223 1.00 12.22 H new ATOM 0 HD22 LEU A 55 13.522 -20.981 0.906 1.00 12.22 H new ATOM 0 HD23 LEU A 55 14.343 -19.546 0.246 1.00 12.22 H new ATOM 797 N HIS A 56 13.314 -17.329 5.388 1.00 62.22 N ATOM 798 CA HIS A 56 14.335 -16.581 6.114 1.00 52.21 C ATOM 799 C HIS A 56 15.254 -17.525 6.885 1.00 65.14 C ATOM 800 O HIS A 56 15.012 -18.729 6.947 1.00 61.43 O ATOM 801 CB HIS A 56 13.682 -15.588 7.076 1.00 44.24 C ATOM 802 CG HIS A 56 12.551 -16.173 7.864 1.00 31.34 C ATOM 803 ND1 HIS A 56 12.695 -16.648 9.151 1.00 24.42 N ATOM 804 CD2 HIS A 56 11.249 -16.357 7.541 1.00 65.14 C ATOM 805 CE1 HIS A 56 11.533 -17.100 9.584 1.00 13.10 C ATOM 806 NE2 HIS A 56 10.638 -16.935 8.627 1.00 75.35 N ATOM 0 H HIS A 56 12.747 -17.945 5.971 1.00 62.22 H new ATOM 0 HA HIS A 56 14.934 -16.032 5.388 1.00 52.21 H new ATOM 0 HB2 HIS A 56 14.438 -15.212 7.765 1.00 44.24 H new ATOM 0 HB3 HIS A 56 13.315 -14.733 6.508 1.00 44.24 H new ATOM 0 HD2 HIS A 56 10.779 -16.098 6.604 1.00 65.14 H new ATOM 0 HE1 HIS A 56 11.346 -17.532 10.556 1.00 13.10 H new ATOM 0 HE2 HIS A 56 9.653 -17.195 8.685 1.00 75.35 H new ATOM 814 N GLY A 57 16.310 -16.967 7.471 1.00 54.50 N ATOM 815 CA GLY A 57 17.249 -17.773 8.228 1.00 51.11 C ATOM 816 C GLY A 57 18.289 -18.434 7.346 1.00 44.14 C ATOM 817 O GLY A 57 18.943 -19.394 7.757 1.00 3.50 O ATOM 0 H GLY A 57 16.531 -15.972 7.435 1.00 54.50 H new ATOM 0 HA2 GLY A 57 17.749 -17.146 8.966 1.00 51.11 H new ATOM 0 HA3 GLY A 57 16.704 -18.540 8.778 1.00 51.11 H new ATOM 821 N LEU A 58 18.442 -17.922 6.130 1.00 1.11 N ATOM 822 CA LEU A 58 19.410 -18.470 5.185 1.00 53.45 C ATOM 823 C LEU A 58 20.835 -18.281 5.695 1.00 62.15 C ATOM 824 O LEU A 58 21.577 -19.248 5.874 1.00 35.35 O ATOM 825 CB LEU A 58 19.252 -17.803 3.818 1.00 64.24 C ATOM 826 CG LEU A 58 18.250 -18.454 2.866 1.00 4.24 C ATOM 827 CD1 LEU A 58 18.146 -17.658 1.574 1.00 55.53 C ATOM 828 CD2 LEU A 58 18.646 -19.894 2.577 1.00 62.04 C ATOM 0 H LEU A 58 17.909 -17.128 5.775 1.00 1.11 H new ATOM 0 HA LEU A 58 19.218 -19.538 5.085 1.00 53.45 H new ATOM 0 HB2 LEU A 58 18.954 -16.766 3.974 1.00 64.24 H new ATOM 0 HB3 LEU A 58 20.227 -17.784 3.330 1.00 64.24 H new ATOM 0 HG LEU A 58 17.272 -18.457 3.346 1.00 4.24 H new ATOM 0 HD11 LEU A 58 17.428 -18.137 0.908 1.00 55.53 H new ATOM 0 HD12 LEU A 58 17.814 -16.644 1.797 1.00 55.53 H new ATOM 0 HD13 LEU A 58 19.122 -17.622 1.089 1.00 55.53 H new ATOM 0 HD21 LEU A 58 17.921 -20.341 1.897 1.00 62.04 H new ATOM 0 HD22 LEU A 58 19.634 -19.914 2.118 1.00 62.04 H new ATOM 0 HD23 LEU A 58 18.667 -20.460 3.509 1.00 62.04 H new ATOM 840 N THR A 59 21.213 -17.028 5.929 1.00 11.10 N ATOM 841 CA THR A 59 22.549 -16.711 6.419 1.00 32.02 C ATOM 842 C THR A 59 22.500 -15.626 7.488 1.00 65.34 C ATOM 843 O THR A 59 21.425 -15.151 7.858 1.00 12.31 O ATOM 844 CB THR A 59 23.471 -16.247 5.276 1.00 50.44 C ATOM 845 OG1 THR A 59 22.793 -15.288 4.456 1.00 55.13 O ATOM 846 CG2 THR A 59 23.912 -17.428 4.423 1.00 44.44 C ATOM 0 H THR A 59 20.612 -16.216 5.787 1.00 11.10 H new ATOM 0 HA THR A 59 22.951 -17.627 6.852 1.00 32.02 H new ATOM 0 HB THR A 59 24.355 -15.786 5.717 1.00 50.44 H new ATOM 0 HG1 THR A 59 23.349 -15.070 3.679 1.00 55.13 H new ATOM 0 HG21 THR A 59 24.562 -17.076 3.622 1.00 44.44 H new ATOM 0 HG22 THR A 59 24.454 -18.142 5.043 1.00 44.44 H new ATOM 0 HG23 THR A 59 23.036 -17.913 3.992 1.00 44.44 H new ATOM 854 N THR A 60 23.669 -15.235 7.983 1.00 54.44 N ATOM 855 CA THR A 60 23.760 -14.205 9.010 1.00 13.13 C ATOM 856 C THR A 60 24.298 -12.900 8.435 1.00 21.15 C ATOM 857 O THR A 60 24.678 -12.837 7.266 1.00 14.52 O ATOM 858 CB THR A 60 24.663 -14.651 10.176 1.00 25.41 C ATOM 859 OG1 THR A 60 25.939 -15.067 9.675 1.00 64.13 O ATOM 860 CG2 THR A 60 24.022 -15.792 10.952 1.00 52.01 C ATOM 0 H THR A 60 24.568 -15.617 7.689 1.00 54.44 H new ATOM 0 HA THR A 60 22.749 -14.044 9.385 1.00 13.13 H new ATOM 0 HB THR A 60 24.795 -13.804 10.849 1.00 25.41 H new ATOM 0 HG1 THR A 60 26.508 -15.347 10.422 1.00 64.13 H new ATOM 0 HG21 THR A 60 24.678 -16.089 11.770 1.00 52.01 H new ATOM 0 HG22 THR A 60 23.064 -15.464 11.356 1.00 52.01 H new ATOM 0 HG23 THR A 60 23.864 -16.641 10.287 1.00 52.01 H new ATOM 868 N GLU A 61 24.331 -11.862 9.265 1.00 22.20 N ATOM 869 CA GLU A 61 24.824 -10.558 8.838 1.00 34.44 C ATOM 870 C GLU A 61 26.344 -10.565 8.715 1.00 75.15 C ATOM 871 O GLU A 61 26.918 -9.810 7.930 1.00 20.20 O ATOM 872 CB GLU A 61 24.385 -9.474 9.823 1.00 63.34 C ATOM 873 CG GLU A 61 25.032 -8.122 9.570 1.00 15.31 C ATOM 874 CD GLU A 61 24.944 -7.697 8.116 1.00 74.31 C ATOM 875 OE1 GLU A 61 23.900 -7.959 7.484 1.00 53.10 O1- ATOM 876 OE2 GLU A 61 25.919 -7.103 7.612 1.00 31.33 O ATOM 0 H GLU A 61 24.022 -11.899 10.236 1.00 22.20 H new ATOM 0 HA GLU A 61 24.399 -10.341 7.858 1.00 34.44 H new ATOM 0 HB2 GLU A 61 23.302 -9.364 9.770 1.00 63.34 H new ATOM 0 HB3 GLU A 61 24.624 -9.798 10.836 1.00 63.34 H new ATOM 0 HG2 GLU A 61 24.550 -7.370 10.195 1.00 15.31 H new ATOM 0 HG3 GLU A 61 26.079 -8.162 9.870 1.00 15.31 H new ATOM 883 N GLU A 62 26.991 -11.421 9.499 1.00 42.53 N ATOM 884 CA GLU A 62 28.446 -11.526 9.480 1.00 43.33 C ATOM 885 C GLU A 62 28.920 -12.298 8.252 1.00 65.32 C ATOM 886 O GLU A 62 30.039 -12.104 7.779 1.00 62.24 O ATOM 887 CB GLU A 62 28.947 -12.212 10.752 1.00 54.13 C ATOM 888 CG GLU A 62 28.288 -11.697 12.021 1.00 32.32 C ATOM 889 CD GLU A 62 29.296 -11.290 13.079 1.00 63.21 C ATOM 890 OE1 GLU A 62 29.927 -12.188 13.673 1.00 22.34 O1- ATOM 891 OE2 GLU A 62 29.453 -10.074 13.312 1.00 12.42 O ATOM 0 H GLU A 62 26.531 -12.052 10.155 1.00 42.53 H new ATOM 0 HA GLU A 62 28.857 -10.517 9.434 1.00 43.33 H new ATOM 0 HB2 GLU A 62 28.770 -13.284 10.670 1.00 54.13 H new ATOM 0 HB3 GLU A 62 30.025 -12.072 10.830 1.00 54.13 H new ATOM 0 HG2 GLU A 62 27.658 -10.842 11.777 1.00 32.32 H new ATOM 0 HG3 GLU A 62 27.634 -12.470 12.426 1.00 32.32 H new ATOM 898 N GLU A 63 28.060 -13.176 7.745 1.00 72.05 N ATOM 899 CA GLU A 63 28.393 -13.979 6.573 1.00 4.24 C ATOM 900 C GLU A 63 27.902 -13.304 5.295 1.00 63.22 C ATOM 901 O GLU A 63 28.494 -13.468 4.228 1.00 24.32 O ATOM 902 CB GLU A 63 27.778 -15.375 6.693 1.00 2.20 C ATOM 903 CG GLU A 63 27.890 -16.202 5.423 1.00 63.03 C ATOM 904 CD GLU A 63 28.110 -17.676 5.704 1.00 12.25 C ATOM 905 OE1 GLU A 63 27.599 -18.165 6.733 1.00 44.51 O1- ATOM 906 OE2 GLU A 63 28.793 -18.338 4.896 1.00 13.21 O ATOM 0 H GLU A 63 27.130 -13.349 8.126 1.00 72.05 H new ATOM 0 HA GLU A 63 29.478 -14.070 6.522 1.00 4.24 H new ATOM 0 HB2 GLU A 63 28.266 -15.909 7.508 1.00 2.20 H new ATOM 0 HB3 GLU A 63 26.726 -15.277 6.961 1.00 2.20 H new ATOM 0 HG2 GLU A 63 26.981 -16.080 4.833 1.00 63.03 H new ATOM 0 HG3 GLU A 63 28.715 -15.824 4.819 1.00 63.03 H new ATOM 913 N PHE A 64 26.817 -12.546 5.411 1.00 65.55 N ATOM 914 CA PHE A 64 26.245 -11.848 4.265 1.00 2.44 C ATOM 915 C PHE A 64 27.110 -10.655 3.869 1.00 64.41 C ATOM 916 O PHE A 64 27.243 -9.692 4.624 1.00 23.03 O ATOM 917 CB PHE A 64 24.824 -11.379 4.584 1.00 11.52 C ATOM 918 CG PHE A 64 24.151 -10.685 3.435 1.00 62.32 C ATOM 919 CD1 PHE A 64 24.368 -9.338 3.200 1.00 2.21 C ATOM 920 CD2 PHE A 64 23.300 -11.380 2.591 1.00 23.14 C ATOM 921 CE1 PHE A 64 23.747 -8.696 2.143 1.00 22.10 C ATOM 922 CE2 PHE A 64 22.678 -10.745 1.533 1.00 23.23 C ATOM 923 CZ PHE A 64 22.903 -9.401 1.308 1.00 20.10 C ATOM 0 H PHE A 64 26.316 -12.399 6.287 1.00 65.55 H new ATOM 0 HA PHE A 64 26.210 -12.544 3.427 1.00 2.44 H new ATOM 0 HB2 PHE A 64 24.224 -12.239 4.881 1.00 11.52 H new ATOM 0 HB3 PHE A 64 24.856 -10.703 5.438 1.00 11.52 H new ATOM 0 HD1 PHE A 64 25.029 -8.782 3.849 1.00 2.21 H new ATOM 0 HD2 PHE A 64 23.121 -12.431 2.762 1.00 23.14 H new ATOM 0 HE1 PHE A 64 23.922 -7.644 1.971 1.00 22.10 H new ATOM 0 HE2 PHE A 64 22.017 -11.299 0.883 1.00 23.23 H new ATOM 0 HZ PHE A 64 22.420 -8.903 0.481 1.00 20.10 H new ATOM 933 N VAL A 65 27.696 -10.726 2.678 1.00 21.05 N ATOM 934 CA VAL A 65 28.548 -9.654 2.179 1.00 15.40 C ATOM 935 C VAL A 65 27.925 -8.976 0.965 1.00 44.42 C ATOM 936 O VAL A 65 26.834 -9.344 0.529 1.00 15.41 O ATOM 937 CB VAL A 65 29.946 -10.176 1.801 1.00 4.22 C ATOM 938 CG1 VAL A 65 30.685 -10.668 3.036 1.00 44.35 C ATOM 939 CG2 VAL A 65 29.838 -11.280 0.759 1.00 3.14 C ATOM 0 H VAL A 65 27.596 -11.516 2.040 1.00 21.05 H new ATOM 0 HA VAL A 65 28.646 -8.928 2.986 1.00 15.40 H new ATOM 0 HB VAL A 65 30.517 -9.354 1.369 1.00 4.22 H new ATOM 0 HG11 VAL A 65 31.671 -11.033 2.749 1.00 44.35 H new ATOM 0 HG12 VAL A 65 30.794 -9.848 3.745 1.00 44.35 H new ATOM 0 HG13 VAL A 65 30.120 -11.476 3.500 1.00 44.35 H new ATOM 0 HG21 VAL A 65 30.835 -11.638 0.503 1.00 3.14 H new ATOM 0 HG22 VAL A 65 29.249 -12.104 1.162 1.00 3.14 H new ATOM 0 HG23 VAL A 65 29.352 -10.890 -0.135 1.00 3.14 H new ATOM 949 N GLU A 66 28.624 -7.985 0.423 1.00 71.12 N ATOM 950 CA GLU A 66 28.137 -7.255 -0.743 1.00 72.12 C ATOM 951 C GLU A 66 28.526 -7.970 -2.034 1.00 23.14 C ATOM 952 O GLU A 66 29.376 -8.861 -2.031 1.00 1.30 O ATOM 953 CB GLU A 66 28.693 -5.830 -0.749 1.00 3.54 C ATOM 954 CG GLU A 66 27.702 -4.792 -1.247 1.00 73.15 C ATOM 955 CD GLU A 66 26.457 -4.713 -0.383 1.00 11.41 C ATOM 956 OE1 GLU A 66 26.459 -3.927 0.587 1.00 63.51 O ATOM 957 OE2 GLU A 66 25.483 -5.436 -0.678 1.00 4.44 O1- ATOM 0 H GLU A 66 29.529 -7.668 0.771 1.00 71.12 H new ATOM 0 HA GLU A 66 27.049 -7.213 -0.685 1.00 72.12 H new ATOM 0 HB2 GLU A 66 29.005 -5.567 0.262 1.00 3.54 H new ATOM 0 HB3 GLU A 66 29.584 -5.799 -1.376 1.00 3.54 H new ATOM 0 HG2 GLU A 66 28.186 -3.815 -1.271 1.00 73.15 H new ATOM 0 HG3 GLU A 66 27.415 -5.031 -2.271 1.00 73.15 H new ATOM 964 N GLY A 67 27.898 -7.573 -3.136 1.00 24.52 N ATOM 965 CA GLY A 67 28.192 -8.186 -4.419 1.00 43.11 C ATOM 966 C GLY A 67 26.954 -8.751 -5.088 1.00 53.01 C ATOM 967 O GLY A 67 25.838 -8.563 -4.602 1.00 30.33 O ATOM 0 H GLY A 67 27.191 -6.838 -3.164 1.00 24.52 H new ATOM 0 HA2 GLY A 67 28.651 -7.446 -5.075 1.00 43.11 H new ATOM 0 HA3 GLY A 67 28.922 -8.984 -4.279 1.00 43.11 H new ATOM 971 N ILE A 68 27.150 -9.440 -6.206 1.00 63.14 N ATOM 972 CA ILE A 68 26.040 -10.032 -6.943 1.00 74.20 C ATOM 973 C ILE A 68 25.711 -11.425 -6.417 1.00 31.45 C ATOM 974 O ILE A 68 26.593 -12.151 -5.957 1.00 12.54 O ATOM 975 CB ILE A 68 26.349 -10.124 -8.449 1.00 73.34 C ATOM 976 CG1 ILE A 68 26.899 -8.790 -8.961 1.00 50.12 C ATOM 977 CG2 ILE A 68 25.101 -10.521 -9.223 1.00 20.00 C ATOM 978 CD1 ILE A 68 28.407 -8.762 -9.075 1.00 72.12 C ATOM 0 H ILE A 68 28.067 -9.603 -6.622 1.00 63.14 H new ATOM 0 HA ILE A 68 25.180 -9.378 -6.796 1.00 74.20 H new ATOM 0 HB ILE A 68 27.107 -10.892 -8.603 1.00 73.34 H new ATOM 0 HG12 ILE A 68 26.465 -8.578 -9.938 1.00 50.12 H new ATOM 0 HG13 ILE A 68 26.579 -7.993 -8.290 1.00 50.12 H new ATOM 0 HG21 ILE A 68 25.336 -10.582 -10.286 1.00 20.00 H new ATOM 0 HG22 ILE A 68 24.749 -11.492 -8.873 1.00 20.00 H new ATOM 0 HG23 ILE A 68 24.322 -9.775 -9.066 1.00 20.00 H new ATOM 0 HD11 ILE A 68 28.726 -7.787 -9.444 1.00 72.12 H new ATOM 0 HD12 ILE A 68 28.849 -8.942 -8.095 1.00 72.12 H new ATOM 0 HD13 ILE A 68 28.734 -9.537 -9.769 1.00 72.12 H new ATOM 990 N TYR A 69 24.437 -11.793 -6.490 1.00 70.53 N ATOM 991 CA TYR A 69 23.991 -13.100 -6.021 1.00 5.55 C ATOM 992 C TYR A 69 22.938 -13.685 -6.956 1.00 31.10 C ATOM 993 O TYR A 69 22.083 -12.965 -7.476 1.00 43.33 O ATOM 994 CB TYR A 69 23.427 -12.991 -4.603 1.00 75.15 C ATOM 995 CG TYR A 69 24.462 -12.615 -3.567 1.00 74.35 C ATOM 996 CD1 TYR A 69 24.832 -11.289 -3.376 1.00 43.05 C ATOM 997 CD2 TYR A 69 25.069 -13.584 -2.779 1.00 31.25 C ATOM 998 CE1 TYR A 69 25.777 -10.940 -2.431 1.00 42.14 C ATOM 999 CE2 TYR A 69 26.014 -13.245 -1.830 1.00 72.34 C ATOM 1000 CZ TYR A 69 26.365 -11.922 -1.660 1.00 12.51 C ATOM 1001 OH TYR A 69 27.308 -11.580 -0.717 1.00 52.05 O ATOM 0 H TYR A 69 23.695 -11.205 -6.869 1.00 70.53 H new ATOM 0 HA TYR A 69 24.853 -13.768 -6.012 1.00 5.55 H new ATOM 0 HB2 TYR A 69 22.630 -12.248 -4.594 1.00 75.15 H new ATOM 0 HB3 TYR A 69 22.977 -13.944 -4.326 1.00 75.15 H new ATOM 0 HD1 TYR A 69 24.373 -10.518 -3.977 1.00 43.05 H new ATOM 0 HD2 TYR A 69 24.798 -14.621 -2.910 1.00 31.25 H new ATOM 0 HE1 TYR A 69 26.054 -9.905 -2.296 1.00 42.14 H new ATOM 0 HE2 TYR A 69 26.475 -14.011 -1.225 1.00 72.34 H new ATOM 0 HH TYR A 69 26.900 -10.997 -0.043 1.00 52.05 H new ATOM 1011 N LYS A 70 23.004 -14.995 -7.167 1.00 53.33 N ATOM 1012 CA LYS A 70 22.056 -15.679 -8.037 1.00 53.10 C ATOM 1013 C LYS A 70 21.150 -16.606 -7.234 1.00 14.23 C ATOM 1014 O LYS A 70 21.623 -17.415 -6.436 1.00 71.33 O ATOM 1015 CB LYS A 70 22.801 -16.480 -9.108 1.00 4.23 C ATOM 1016 CG LYS A 70 21.892 -17.054 -10.181 1.00 73.02 C ATOM 1017 CD LYS A 70 22.626 -18.060 -11.053 1.00 24.44 C ATOM 1018 CE LYS A 70 22.719 -19.420 -10.377 1.00 24.25 C ATOM 1019 NZ LYS A 70 23.781 -20.269 -10.983 1.00 5.14 N1+ ATOM 0 H LYS A 70 23.705 -15.605 -6.747 1.00 53.33 H new ATOM 0 HA LYS A 70 21.436 -14.924 -8.521 1.00 53.10 H new ATOM 0 HB2 LYS A 70 23.544 -15.837 -9.579 1.00 4.23 H new ATOM 0 HB3 LYS A 70 23.343 -17.295 -8.629 1.00 4.23 H new ATOM 0 HG2 LYS A 70 21.033 -17.535 -9.713 1.00 73.02 H new ATOM 0 HG3 LYS A 70 21.505 -16.246 -10.802 1.00 73.02 H new ATOM 0 HD2 LYS A 70 22.109 -18.161 -12.007 1.00 24.44 H new ATOM 0 HD3 LYS A 70 23.628 -17.691 -11.271 1.00 24.44 H new ATOM 0 HE2 LYS A 70 22.924 -19.284 -9.315 1.00 24.25 H new ATOM 0 HE3 LYS A 70 21.759 -19.930 -10.453 1.00 24.25 H new ATOM 0 HZ1 LYS A 70 23.812 -21.187 -10.495 1.00 5.14 H new ATOM 0 HZ2 LYS A 70 23.572 -20.420 -11.991 1.00 5.14 H new ATOM 0 HZ3 LYS A 70 24.701 -19.794 -10.888 1.00 5.14 H new ATOM 1033 N VAL A 71 19.843 -16.482 -7.449 1.00 73.11 N ATOM 1034 CA VAL A 71 18.871 -17.310 -6.746 1.00 34.45 C ATOM 1035 C VAL A 71 18.215 -18.311 -7.691 1.00 63.22 C ATOM 1036 O VAL A 71 17.829 -17.963 -8.807 1.00 63.42 O ATOM 1037 CB VAL A 71 17.777 -16.452 -6.085 1.00 32.41 C ATOM 1038 CG1 VAL A 71 16.701 -17.336 -5.473 1.00 2.33 C ATOM 1039 CG2 VAL A 71 18.382 -15.532 -5.036 1.00 13.51 C ATOM 0 H VAL A 71 19.434 -15.816 -8.104 1.00 73.11 H new ATOM 0 HA VAL A 71 19.416 -17.850 -5.972 1.00 34.45 H new ATOM 0 HB VAL A 71 17.312 -15.834 -6.853 1.00 32.41 H new ATOM 0 HG11 VAL A 71 15.937 -16.712 -5.011 1.00 2.33 H new ATOM 0 HG12 VAL A 71 16.247 -17.949 -6.252 1.00 2.33 H new ATOM 0 HG13 VAL A 71 17.147 -17.982 -4.717 1.00 2.33 H new ATOM 0 HG21 VAL A 71 17.594 -14.933 -4.579 1.00 13.51 H new ATOM 0 HG22 VAL A 71 18.875 -16.129 -4.269 1.00 13.51 H new ATOM 0 HG23 VAL A 71 19.112 -14.873 -5.507 1.00 13.51 H new ATOM 1049 N GLU A 72 18.092 -19.554 -7.238 1.00 52.24 N ATOM 1050 CA GLU A 72 17.484 -20.605 -8.044 1.00 34.02 C ATOM 1051 C GLU A 72 16.291 -21.225 -7.320 1.00 45.41 C ATOM 1052 O GLU A 72 16.441 -21.814 -6.250 1.00 32.53 O ATOM 1053 CB GLU A 72 18.513 -21.687 -8.374 1.00 24.24 C ATOM 1054 CG GLU A 72 19.736 -21.160 -9.108 1.00 50.22 C ATOM 1055 CD GLU A 72 20.548 -22.265 -9.754 1.00 65.25 C ATOM 1056 OE1 GLU A 72 21.111 -23.098 -9.014 1.00 24.10 O1- ATOM 1057 OE2 GLU A 72 20.621 -22.297 -11.001 1.00 13.41 O ATOM 0 H GLU A 72 18.406 -19.858 -6.316 1.00 52.24 H new ATOM 0 HA GLU A 72 17.131 -20.156 -8.972 1.00 34.02 H new ATOM 0 HB2 GLU A 72 18.833 -22.166 -7.449 1.00 24.24 H new ATOM 0 HB3 GLU A 72 18.037 -22.456 -8.983 1.00 24.24 H new ATOM 0 HG2 GLU A 72 19.419 -20.452 -9.874 1.00 50.22 H new ATOM 0 HG3 GLU A 72 20.367 -20.612 -8.408 1.00 50.22 H new ATOM 1064 N ILE A 73 15.110 -21.087 -7.912 1.00 61.12 N ATOM 1065 CA ILE A 73 13.893 -21.633 -7.324 1.00 75.21 C ATOM 1066 C ILE A 73 13.460 -22.906 -8.043 1.00 61.50 C ATOM 1067 O ILE A 73 13.426 -22.956 -9.272 1.00 61.15 O ATOM 1068 CB ILE A 73 12.740 -20.613 -7.368 1.00 41.15 C ATOM 1069 CG1 ILE A 73 13.213 -19.253 -6.854 1.00 2.24 C ATOM 1070 CG2 ILE A 73 11.560 -21.114 -6.548 1.00 45.44 C ATOM 1071 CD1 ILE A 73 12.141 -18.187 -6.889 1.00 64.32 C ATOM 0 H ILE A 73 14.970 -20.602 -8.798 1.00 61.12 H new ATOM 0 HA ILE A 73 14.121 -21.866 -6.284 1.00 75.21 H new ATOM 0 HB ILE A 73 12.416 -20.496 -8.402 1.00 41.15 H new ATOM 0 HG12 ILE A 73 13.569 -19.365 -5.830 1.00 2.24 H new ATOM 0 HG13 ILE A 73 14.062 -18.923 -7.453 1.00 2.24 H new ATOM 0 HG21 ILE A 73 10.752 -20.383 -6.588 1.00 45.44 H new ATOM 0 HG22 ILE A 73 11.211 -22.063 -6.955 1.00 45.44 H new ATOM 0 HG23 ILE A 73 11.870 -21.255 -5.513 1.00 45.44 H new ATOM 0 HD11 ILE A 73 12.548 -17.249 -6.510 1.00 64.32 H new ATOM 0 HD12 ILE A 73 11.801 -18.047 -7.915 1.00 64.32 H new ATOM 0 HD13 ILE A 73 11.301 -18.496 -6.267 1.00 64.32 H new ATOM 1083 N ASP A 74 13.126 -23.932 -7.268 1.00 20.43 N ATOM 1084 CA ASP A 74 12.691 -25.205 -7.830 1.00 51.21 C ATOM 1085 C ASP A 74 11.169 -25.309 -7.826 1.00 25.22 C ATOM 1086 O ASP A 74 10.579 -25.918 -6.932 1.00 75.54 O ATOM 1087 CB ASP A 74 13.296 -26.368 -7.043 1.00 1.22 C ATOM 1088 CG ASP A 74 14.770 -26.564 -7.341 1.00 72.00 C ATOM 1089 OD1 ASP A 74 15.431 -25.579 -7.734 1.00 14.52 O1- ATOM 1090 OD2 ASP A 74 15.262 -27.700 -7.181 1.00 5.22 O ATOM 0 H ASP A 74 13.148 -23.907 -6.249 1.00 20.43 H new ATOM 0 HA ASP A 74 13.038 -25.256 -8.862 1.00 51.21 H new ATOM 0 HB2 ASP A 74 13.165 -26.188 -5.976 1.00 1.22 H new ATOM 0 HB3 ASP A 74 12.755 -27.284 -7.281 1.00 1.22 H new ATOM 1095 N THR A 75 10.536 -24.709 -8.829 1.00 25.23 N ATOM 1096 CA THR A 75 9.083 -24.732 -8.940 1.00 73.01 C ATOM 1097 C THR A 75 8.572 -26.148 -9.181 1.00 65.31 C ATOM 1098 O THR A 75 7.445 -26.483 -8.817 1.00 53.44 O ATOM 1099 CB THR A 75 8.592 -23.820 -10.080 1.00 32.14 C ATOM 1100 OG1 THR A 75 8.829 -24.446 -11.345 1.00 31.11 O ATOM 1101 CG2 THR A 75 9.297 -22.472 -10.036 1.00 30.20 C ATOM 0 H THR A 75 11.008 -24.201 -9.577 1.00 25.23 H new ATOM 0 HA THR A 75 8.688 -24.363 -7.994 1.00 73.01 H new ATOM 0 HB THR A 75 7.522 -23.658 -9.950 1.00 32.14 H new ATOM 0 HG1 THR A 75 8.051 -24.989 -11.592 1.00 31.11 H new ATOM 0 HG21 THR A 75 8.934 -21.845 -10.850 1.00 30.20 H new ATOM 0 HG22 THR A 75 9.091 -21.985 -9.083 1.00 30.20 H new ATOM 0 HG23 THR A 75 10.372 -22.620 -10.143 1.00 30.20 H new ATOM 1109 N LYS A 76 9.409 -26.977 -9.797 1.00 33.31 N ATOM 1110 CA LYS A 76 9.043 -28.358 -10.086 1.00 53.53 C ATOM 1111 C LYS A 76 8.538 -29.061 -8.831 1.00 52.22 C ATOM 1112 O LYS A 76 7.560 -29.807 -8.876 1.00 33.40 O ATOM 1113 CB LYS A 76 10.243 -29.115 -10.661 1.00 42.11 C ATOM 1114 CG LYS A 76 11.468 -29.084 -9.762 1.00 35.11 C ATOM 1115 CD LYS A 76 11.570 -30.342 -8.915 1.00 64.45 C ATOM 1116 CE LYS A 76 12.384 -31.420 -9.614 1.00 4.34 C ATOM 1117 NZ LYS A 76 12.308 -32.724 -8.898 1.00 11.00 N1+ ATOM 0 H LYS A 76 10.345 -26.716 -10.105 1.00 33.31 H new ATOM 0 HA LYS A 76 8.240 -28.349 -10.823 1.00 53.53 H new ATOM 0 HB2 LYS A 76 9.958 -30.152 -10.837 1.00 42.11 H new ATOM 0 HB3 LYS A 76 10.502 -28.687 -11.629 1.00 42.11 H new ATOM 0 HG2 LYS A 76 12.366 -28.981 -10.372 1.00 35.11 H new ATOM 0 HG3 LYS A 76 11.422 -28.210 -9.113 1.00 35.11 H new ATOM 0 HD2 LYS A 76 12.031 -30.101 -7.957 1.00 64.45 H new ATOM 0 HD3 LYS A 76 10.570 -30.720 -8.702 1.00 64.45 H new ATOM 0 HE2 LYS A 76 12.022 -31.544 -10.634 1.00 4.34 H new ATOM 0 HE3 LYS A 76 13.425 -31.103 -9.682 1.00 4.34 H new ATOM 0 HZ1 LYS A 76 12.876 -33.432 -9.406 1.00 11.00 H new ATOM 0 HZ2 LYS A 76 12.677 -32.612 -7.932 1.00 11.00 H new ATOM 0 HZ3 LYS A 76 11.318 -33.040 -8.856 1.00 11.00 H new ATOM 1131 N SER A 77 9.211 -28.818 -7.710 1.00 50.35 N ATOM 1132 CA SER A 77 8.831 -29.430 -6.442 1.00 24.21 C ATOM 1133 C SER A 77 7.409 -29.036 -6.054 1.00 74.33 C ATOM 1134 O SER A 77 6.684 -29.817 -5.436 1.00 24.13 O ATOM 1135 CB SER A 77 9.806 -29.014 -5.339 1.00 2.11 C ATOM 1136 OG SER A 77 11.144 -29.300 -5.707 1.00 64.04 O ATOM 0 H SER A 77 10.022 -28.202 -7.655 1.00 50.35 H new ATOM 0 HA SER A 77 8.870 -30.513 -6.563 1.00 24.21 H new ATOM 0 HB2 SER A 77 9.700 -27.948 -5.139 1.00 2.11 H new ATOM 0 HB3 SER A 77 9.560 -29.537 -4.415 1.00 2.11 H new ATOM 0 HG SER A 77 11.748 -29.023 -4.986 1.00 64.04 H new ATOM 1142 N TYR A 78 7.016 -27.821 -6.420 1.00 62.35 N ATOM 1143 CA TYR A 78 5.682 -27.322 -6.108 1.00 72.42 C ATOM 1144 C TYR A 78 4.671 -27.783 -7.154 1.00 51.41 C ATOM 1145 O TYR A 78 3.482 -27.918 -6.865 1.00 23.54 O ATOM 1146 CB TYR A 78 5.692 -25.795 -6.031 1.00 12.14 C ATOM 1147 CG TYR A 78 4.394 -25.206 -5.524 1.00 1.42 C ATOM 1148 CD1 TYR A 78 3.789 -25.696 -4.373 1.00 30.23 C ATOM 1149 CD2 TYR A 78 3.772 -24.162 -6.197 1.00 70.41 C ATOM 1150 CE1 TYR A 78 2.603 -25.162 -3.907 1.00 24.52 C ATOM 1151 CE2 TYR A 78 2.587 -23.621 -5.738 1.00 34.34 C ATOM 1152 CZ TYR A 78 2.007 -24.125 -4.594 1.00 21.50 C ATOM 1153 OH TYR A 78 0.826 -23.589 -4.133 1.00 72.23 O ATOM 0 H TYR A 78 7.603 -27.163 -6.933 1.00 62.35 H new ATOM 0 HA TYR A 78 5.387 -27.726 -5.140 1.00 72.42 H new ATOM 0 HB2 TYR A 78 6.505 -25.478 -5.378 1.00 12.14 H new ATOM 0 HB3 TYR A 78 5.902 -25.391 -7.021 1.00 12.14 H new ATOM 0 HD1 TYR A 78 4.254 -26.508 -3.834 1.00 30.23 H new ATOM 0 HD2 TYR A 78 4.223 -23.766 -7.095 1.00 70.41 H new ATOM 0 HE1 TYR A 78 2.146 -25.554 -3.011 1.00 24.52 H new ATOM 0 HE2 TYR A 78 2.118 -22.808 -6.272 1.00 34.34 H new ATOM 0 HH TYR A 78 0.905 -22.613 -4.088 1.00 72.23 H new ATOM 1163 N TRP A 79 5.152 -28.024 -8.367 1.00 73.24 N ATOM 1164 CA TRP A 79 4.290 -28.470 -9.456 1.00 62.55 C ATOM 1165 C TRP A 79 4.021 -29.967 -9.358 1.00 11.32 C ATOM 1166 O TRP A 79 3.013 -30.461 -9.864 1.00 34.45 O ATOM 1167 CB TRP A 79 4.930 -28.142 -10.807 1.00 35.20 C ATOM 1168 CG TRP A 79 5.090 -26.671 -11.047 1.00 34.11 C ATOM 1169 CD1 TRP A 79 6.227 -26.023 -11.438 1.00 52.43 C ATOM 1170 CD2 TRP A 79 4.080 -25.665 -10.909 1.00 52.00 C ATOM 1171 NE1 TRP A 79 5.985 -24.676 -11.552 1.00 13.12 N ATOM 1172 CE2 TRP A 79 4.675 -24.430 -11.233 1.00 75.53 C ATOM 1173 CE3 TRP A 79 2.731 -25.688 -10.545 1.00 50.52 C ATOM 1174 CZ2 TRP A 79 3.967 -23.233 -11.203 1.00 52.21 C ATOM 1175 CZ3 TRP A 79 2.029 -24.498 -10.516 1.00 34.34 C ATOM 1176 CH2 TRP A 79 2.647 -23.284 -10.843 1.00 2.41 C ATOM 0 H TRP A 79 6.134 -27.918 -8.622 1.00 73.24 H new ATOM 0 HA TRP A 79 3.340 -27.943 -9.374 1.00 62.55 H new ATOM 0 HB2 TRP A 79 5.908 -28.621 -10.864 1.00 35.20 H new ATOM 0 HB3 TRP A 79 4.320 -28.569 -11.603 1.00 35.20 H new ATOM 0 HD1 TRP A 79 7.177 -26.500 -11.629 1.00 52.43 H new ATOM 0 HE1 TRP A 79 6.669 -23.972 -11.829 1.00 13.12 H new ATOM 0 HE3 TRP A 79 2.246 -26.619 -10.291 1.00 50.52 H new ATOM 0 HZ2 TRP A 79 4.442 -22.296 -11.455 1.00 52.21 H new ATOM 0 HZ3 TRP A 79 0.986 -24.504 -10.236 1.00 34.34 H new ATOM 0 HH2 TRP A 79 2.071 -22.371 -10.810 1.00 2.41 H new ATOM 1187 N LYS A 80 4.927 -30.686 -8.703 1.00 14.35 N ATOM 1188 CA LYS A 80 4.786 -32.127 -8.537 1.00 74.13 C ATOM 1189 C LYS A 80 3.816 -32.452 -7.405 1.00 72.35 C ATOM 1190 O LYS A 80 3.274 -33.555 -7.338 1.00 42.42 O ATOM 1191 CB LYS A 80 6.148 -32.764 -8.253 1.00 2.35 C ATOM 1192 CG LYS A 80 6.624 -32.572 -6.824 1.00 11.13 C ATOM 1193 CD LYS A 80 6.509 -33.855 -6.020 1.00 4.54 C ATOM 1194 CE LYS A 80 7.824 -34.617 -5.995 1.00 14.23 C ATOM 1195 NZ LYS A 80 7.705 -35.907 -5.258 1.00 15.12 N1+ ATOM 0 H LYS A 80 5.767 -30.293 -8.278 1.00 14.35 H new ATOM 0 HA LYS A 80 4.386 -32.537 -9.464 1.00 74.13 H new ATOM 0 HB2 LYS A 80 6.092 -33.831 -8.468 1.00 2.35 H new ATOM 0 HB3 LYS A 80 6.887 -32.340 -8.933 1.00 2.35 H new ATOM 0 HG2 LYS A 80 7.661 -32.236 -6.827 1.00 11.13 H new ATOM 0 HG3 LYS A 80 6.036 -31.788 -6.346 1.00 11.13 H new ATOM 0 HD2 LYS A 80 6.204 -33.620 -5.000 1.00 4.54 H new ATOM 0 HD3 LYS A 80 5.730 -34.486 -6.449 1.00 4.54 H new ATOM 0 HE2 LYS A 80 8.150 -34.811 -7.017 1.00 14.23 H new ATOM 0 HE3 LYS A 80 8.592 -34.001 -5.527 1.00 14.23 H new ATOM 0 HZ1 LYS A 80 8.623 -36.396 -5.264 1.00 15.12 H new ATOM 0 HZ2 LYS A 80 7.418 -35.721 -4.276 1.00 15.12 H new ATOM 0 HZ3 LYS A 80 6.991 -36.506 -5.719 1.00 15.12 H new ATOM 1209 N ALA A 81 3.601 -31.484 -6.520 1.00 25.24 N ATOM 1210 CA ALA A 81 2.694 -31.667 -5.394 1.00 60.14 C ATOM 1211 C ALA A 81 1.255 -31.834 -5.871 1.00 25.04 C ATOM 1212 O ALA A 81 0.485 -32.605 -5.295 1.00 75.40 O ATOM 1213 CB ALA A 81 2.800 -30.491 -4.435 1.00 62.23 C ATOM 0 H ALA A 81 4.043 -30.565 -6.561 1.00 25.24 H new ATOM 0 HA ALA A 81 2.984 -32.577 -4.869 1.00 60.14 H new ATOM 0 HB1 ALA A 81 2.117 -30.641 -3.599 1.00 62.23 H new ATOM 0 HB2 ALA A 81 3.821 -30.417 -4.061 1.00 62.23 H new ATOM 0 HB3 ALA A 81 2.538 -29.571 -4.957 1.00 62.23 H new ATOM 1219 N LEU A 82 0.896 -31.108 -6.924 1.00 43.21 N ATOM 1220 CA LEU A 82 -0.452 -31.176 -7.478 1.00 42.14 C ATOM 1221 C LEU A 82 -0.454 -31.905 -8.818 1.00 63.11 C ATOM 1222 O LEU A 82 -1.479 -32.432 -9.248 1.00 71.54 O ATOM 1223 CB LEU A 82 -1.026 -29.769 -7.649 1.00 1.31 C ATOM 1224 CG LEU A 82 -0.010 -28.626 -7.651 1.00 42.43 C ATOM 1225 CD1 LEU A 82 0.892 -28.717 -8.872 1.00 30.23 C ATOM 1226 CD2 LEU A 82 -0.721 -27.281 -7.610 1.00 52.23 C ATOM 0 H LEU A 82 1.520 -30.465 -7.412 1.00 43.21 H new ATOM 0 HA LEU A 82 -1.077 -31.734 -6.781 1.00 42.14 H new ATOM 0 HB2 LEU A 82 -1.582 -29.736 -8.586 1.00 1.31 H new ATOM 0 HB3 LEU A 82 -1.742 -29.590 -6.847 1.00 1.31 H new ATOM 0 HG LEU A 82 0.610 -28.714 -6.759 1.00 42.43 H new ATOM 0 HD11 LEU A 82 1.609 -27.896 -8.857 1.00 30.23 H new ATOM 0 HD12 LEU A 82 1.428 -29.666 -8.859 1.00 30.23 H new ATOM 0 HD13 LEU A 82 0.287 -28.654 -9.777 1.00 30.23 H new ATOM 0 HD21 LEU A 82 0.017 -26.479 -7.612 1.00 52.23 H new ATOM 0 HD22 LEU A 82 -1.365 -27.183 -8.484 1.00 52.23 H new ATOM 0 HD23 LEU A 82 -1.325 -27.216 -6.705 1.00 52.23 H new ATOM 1238 N GLY A 83 0.703 -31.932 -9.473 1.00 74.15 N ATOM 1239 CA GLY A 83 0.813 -32.601 -10.757 1.00 24.44 C ATOM 1240 C GLY A 83 0.555 -31.665 -11.921 1.00 53.33 C ATOM 1241 O GLY A 83 -0.192 -32.000 -12.841 1.00 44.53 O ATOM 0 H GLY A 83 1.566 -31.503 -9.138 1.00 74.15 H new ATOM 0 HA2 GLY A 83 1.809 -33.032 -10.855 1.00 24.44 H new ATOM 0 HA3 GLY A 83 0.103 -33.427 -10.795 1.00 24.44 H new ATOM 1245 N ILE A 84 1.172 -30.489 -11.882 1.00 11.52 N ATOM 1246 CA ILE A 84 1.004 -29.502 -12.941 1.00 73.53 C ATOM 1247 C ILE A 84 2.031 -29.706 -14.050 1.00 73.31 C ATOM 1248 O ILE A 84 3.190 -30.023 -13.785 1.00 12.13 O ATOM 1249 CB ILE A 84 1.128 -28.066 -12.399 1.00 20.52 C ATOM 1250 CG1 ILE A 84 -0.258 -27.449 -12.206 1.00 42.11 C ATOM 1251 CG2 ILE A 84 1.967 -27.216 -13.341 1.00 54.52 C ATOM 1252 CD1 ILE A 84 -1.209 -28.330 -11.428 1.00 31.45 C ATOM 0 H ILE A 84 1.793 -30.196 -11.128 1.00 11.52 H new ATOM 0 HA ILE A 84 0.002 -29.642 -13.346 1.00 73.53 H new ATOM 0 HB ILE A 84 1.627 -28.100 -11.430 1.00 20.52 H new ATOM 0 HG12 ILE A 84 -0.153 -26.495 -11.688 1.00 42.11 H new ATOM 0 HG13 ILE A 84 -0.691 -27.235 -13.183 1.00 42.11 H new ATOM 0 HG21 ILE A 84 2.046 -26.204 -12.945 1.00 54.52 H new ATOM 0 HG22 ILE A 84 2.963 -27.649 -13.432 1.00 54.52 H new ATOM 0 HG23 ILE A 84 1.494 -27.186 -14.323 1.00 54.52 H new ATOM 0 HD11 ILE A 84 -2.172 -27.829 -11.330 1.00 31.45 H new ATOM 0 HD12 ILE A 84 -1.344 -29.274 -11.955 1.00 31.45 H new ATOM 0 HD13 ILE A 84 -0.798 -28.523 -10.437 1.00 31.45 H new ATOM 1264 N SER A 85 1.597 -29.520 -15.293 1.00 52.21 N ATOM 1265 CA SER A 85 2.479 -29.685 -16.443 1.00 24.12 C ATOM 1266 C SER A 85 3.745 -28.849 -16.281 1.00 3.33 C ATOM 1267 O SER A 85 3.722 -27.620 -16.352 1.00 53.24 O ATOM 1268 CB SER A 85 1.753 -29.288 -17.730 1.00 54.52 C ATOM 1269 OG SER A 85 2.463 -29.731 -18.873 1.00 23.32 O ATOM 0 H SER A 85 0.641 -29.255 -15.529 1.00 52.21 H new ATOM 0 HA SER A 85 2.764 -30.735 -16.504 1.00 24.12 H new ATOM 0 HB2 SER A 85 0.750 -29.716 -17.732 1.00 54.52 H new ATOM 0 HB3 SER A 85 1.638 -28.205 -17.767 1.00 54.52 H new ATOM 0 HG SER A 85 1.978 -29.467 -19.682 1.00 23.32 H new ATOM 1275 N PRO A 86 4.878 -29.531 -16.058 1.00 42.12 N ATOM 1276 CA PRO A 86 6.177 -28.874 -15.881 1.00 71.24 C ATOM 1277 C PRO A 86 6.690 -28.250 -17.175 1.00 40.35 C ATOM 1278 O PRO A 86 7.135 -28.956 -18.080 1.00 12.43 O ATOM 1279 CB PRO A 86 7.094 -30.014 -15.435 1.00 45.12 C ATOM 1280 CG PRO A 86 6.462 -31.246 -15.984 1.00 24.31 C ATOM 1281 CD PRO A 86 4.980 -30.998 -15.960 1.00 65.12 C ATOM 0 HA PRO A 86 6.124 -28.050 -15.169 1.00 71.24 H new ATOM 0 HB2 PRO A 86 8.105 -29.882 -15.820 1.00 45.12 H new ATOM 0 HB3 PRO A 86 7.170 -30.059 -14.349 1.00 45.12 H new ATOM 0 HG2 PRO A 86 6.808 -31.443 -16.999 1.00 24.31 H new ATOM 0 HG3 PRO A 86 6.721 -32.118 -15.384 1.00 24.31 H new ATOM 0 HD2 PRO A 86 4.476 -31.492 -16.791 1.00 65.12 H new ATOM 0 HD3 PRO A 86 4.525 -31.372 -15.043 1.00 65.12 H new ATOM 1289 N MET A 87 6.627 -26.926 -17.254 1.00 43.33 N ATOM 1290 CA MET A 87 7.089 -26.208 -18.436 1.00 1.42 C ATOM 1291 C MET A 87 8.520 -25.714 -18.248 1.00 55.04 C ATOM 1292 O MET A 87 9.246 -25.499 -19.220 1.00 10.13 O ATOM 1293 CB MET A 87 6.164 -25.026 -18.736 1.00 20.04 C ATOM 1294 CG MET A 87 4.731 -25.437 -19.036 1.00 72.24 C ATOM 1295 SD MET A 87 4.512 -25.996 -20.738 1.00 22.31 S ATOM 1296 CE MET A 87 2.743 -25.799 -20.931 1.00 35.42 C ATOM 0 H MET A 87 6.261 -26.328 -16.514 1.00 43.33 H new ATOM 0 HA MET A 87 7.070 -26.898 -19.280 1.00 1.42 H new ATOM 0 HB2 MET A 87 6.168 -24.347 -17.884 1.00 20.04 H new ATOM 0 HB3 MET A 87 6.560 -24.472 -19.587 1.00 20.04 H new ATOM 0 HG2 MET A 87 4.435 -26.235 -18.354 1.00 72.24 H new ATOM 0 HG3 MET A 87 4.067 -24.593 -18.846 1.00 72.24 H new ATOM 0 HE1 MET A 87 2.450 -26.105 -21.936 1.00 35.42 H new ATOM 0 HE2 MET A 87 2.226 -26.418 -20.198 1.00 35.42 H new ATOM 0 HE3 MET A 87 2.474 -24.754 -20.777 1.00 35.42 H new ATOM 1306 N HIS A 88 8.920 -25.535 -16.993 1.00 0.52 N ATOM 1307 CA HIS A 88 10.264 -25.067 -16.679 1.00 51.21 C ATOM 1308 C HIS A 88 10.793 -25.739 -15.416 1.00 23.12 C ATOM 1309 O HIS A 88 10.104 -25.796 -14.398 1.00 50.35 O ATOM 1310 CB HIS A 88 10.270 -23.548 -16.502 1.00 24.12 C ATOM 1311 CG HIS A 88 10.216 -22.794 -17.795 1.00 62.11 C ATOM 1312 ND1 HIS A 88 9.149 -22.001 -18.161 1.00 74.54 N ATOM 1313 CD2 HIS A 88 11.108 -22.713 -18.810 1.00 20.22 C ATOM 1314 CE1 HIS A 88 9.386 -21.468 -19.347 1.00 21.10 C ATOM 1315 NE2 HIS A 88 10.568 -21.884 -19.762 1.00 3.14 N ATOM 0 H HIS A 88 8.332 -25.707 -16.177 1.00 0.52 H new ATOM 0 HA HIS A 88 10.917 -25.332 -17.511 1.00 51.21 H new ATOM 0 HB2 HIS A 88 9.418 -23.259 -15.886 1.00 24.12 H new ATOM 0 HB3 HIS A 88 11.169 -23.257 -15.959 1.00 24.12 H new ATOM 0 HD2 HIS A 88 12.066 -23.208 -18.861 1.00 20.22 H new ATOM 0 HE1 HIS A 88 8.725 -20.805 -19.885 1.00 21.10 H new ATOM 0 HE2 HIS A 88 11.009 -21.631 -20.646 1.00 3.14 H new ATOM 1323 N GLU A 89 12.018 -26.249 -15.491 1.00 53.32 N ATOM 1324 CA GLU A 89 12.637 -26.919 -14.353 1.00 13.34 C ATOM 1325 C GLU A 89 12.703 -25.991 -13.144 1.00 2.34 C ATOM 1326 O GLU A 89 11.939 -26.140 -12.190 1.00 33.31 O ATOM 1327 CB GLU A 89 14.043 -27.399 -14.719 1.00 13.54 C ATOM 1328 CG GLU A 89 14.054 -28.548 -15.714 1.00 22.51 C ATOM 1329 CD GLU A 89 15.414 -29.212 -15.823 1.00 44.10 C ATOM 1330 OE1 GLU A 89 16.283 -28.672 -16.539 1.00 63.34 O ATOM 1331 OE2 GLU A 89 15.608 -30.271 -15.189 1.00 31.10 O1- ATOM 0 H GLU A 89 12.601 -26.211 -16.327 1.00 53.32 H new ATOM 0 HA GLU A 89 12.022 -27.781 -14.094 1.00 13.34 H new ATOM 0 HB2 GLU A 89 14.606 -26.564 -15.135 1.00 13.54 H new ATOM 0 HB3 GLU A 89 14.559 -27.711 -13.811 1.00 13.54 H new ATOM 0 HG2 GLU A 89 13.314 -29.290 -15.414 1.00 22.51 H new ATOM 0 HG3 GLU A 89 13.755 -28.178 -16.695 1.00 22.51 H new ATOM 1338 N HIS A 90 13.622 -25.031 -13.192 1.00 12.33 N ATOM 1339 CA HIS A 90 13.789 -24.077 -12.102 1.00 64.04 C ATOM 1340 C HIS A 90 13.991 -22.664 -12.641 1.00 64.34 C ATOM 1341 O HIS A 90 14.467 -22.480 -13.761 1.00 61.10 O ATOM 1342 CB HIS A 90 14.976 -24.475 -11.224 1.00 14.33 C ATOM 1343 CG HIS A 90 16.208 -24.818 -12.004 1.00 22.52 C ATOM 1344 ND1 HIS A 90 16.728 -26.093 -12.068 1.00 21.34 N ATOM 1345 CD2 HIS A 90 17.023 -24.043 -12.757 1.00 24.13 C ATOM 1346 CE1 HIS A 90 17.811 -26.087 -12.825 1.00 42.11 C ATOM 1347 NE2 HIS A 90 18.011 -24.855 -13.257 1.00 64.31 N ATOM 0 H HIS A 90 14.262 -24.894 -13.974 1.00 12.33 H new ATOM 0 HA HIS A 90 12.881 -24.090 -11.500 1.00 64.04 H new ATOM 0 HB2 HIS A 90 15.204 -23.656 -10.542 1.00 14.33 H new ATOM 0 HB3 HIS A 90 14.694 -25.331 -10.611 1.00 14.33 H new ATOM 0 HD2 HIS A 90 16.916 -22.983 -12.932 1.00 24.13 H new ATOM 0 HE1 HIS A 90 18.428 -26.944 -13.052 1.00 42.11 H new ATOM 0 HE2 HIS A 90 18.775 -24.556 -13.863 1.00 64.31 H new ATOM 1355 N ALA A 91 13.625 -21.671 -11.838 1.00 30.43 N ATOM 1356 CA ALA A 91 13.767 -20.275 -12.235 1.00 4.31 C ATOM 1357 C ALA A 91 14.996 -19.644 -11.590 1.00 13.54 C ATOM 1358 O ALA A 91 15.086 -19.549 -10.366 1.00 55.12 O ATOM 1359 CB ALA A 91 12.515 -19.492 -11.867 1.00 53.12 C ATOM 0 H ALA A 91 13.228 -21.807 -10.908 1.00 30.43 H new ATOM 0 HA ALA A 91 13.899 -20.242 -13.317 1.00 4.31 H new ATOM 0 HB1 ALA A 91 12.635 -18.452 -12.169 1.00 53.12 H new ATOM 0 HB2 ALA A 91 11.654 -19.922 -12.379 1.00 53.12 H new ATOM 0 HB3 ALA A 91 12.359 -19.541 -10.789 1.00 53.12 H new ATOM 1365 N GLU A 92 15.940 -19.216 -12.422 1.00 71.53 N ATOM 1366 CA GLU A 92 17.165 -18.594 -11.931 1.00 22.11 C ATOM 1367 C GLU A 92 17.143 -17.087 -12.165 1.00 21.04 C ATOM 1368 O GLU A 92 16.765 -16.620 -13.240 1.00 35.42 O ATOM 1369 CB GLU A 92 18.386 -19.210 -12.618 1.00 20.12 C ATOM 1370 CG GLU A 92 18.283 -20.714 -12.809 1.00 3.34 C ATOM 1371 CD GLU A 92 17.989 -21.102 -14.245 1.00 5.13 C ATOM 1372 OE1 GLU A 92 17.164 -20.418 -14.887 1.00 51.43 O ATOM 1373 OE2 GLU A 92 18.582 -22.089 -14.727 1.00 1.44 O1- ATOM 0 H GLU A 92 15.881 -19.288 -13.438 1.00 71.53 H new ATOM 0 HA GLU A 92 17.229 -18.776 -10.858 1.00 22.11 H new ATOM 0 HB2 GLU A 92 18.522 -18.737 -13.591 1.00 20.12 H new ATOM 0 HB3 GLU A 92 19.275 -18.987 -12.028 1.00 20.12 H new ATOM 0 HG2 GLU A 92 19.216 -21.181 -12.494 1.00 3.34 H new ATOM 0 HG3 GLU A 92 17.497 -21.105 -12.163 1.00 3.34 H new ATOM 1380 N VAL A 93 17.549 -16.330 -11.151 1.00 13.33 N ATOM 1381 CA VAL A 93 17.576 -14.875 -11.245 1.00 70.50 C ATOM 1382 C VAL A 93 18.829 -14.305 -10.590 1.00 3.53 C ATOM 1383 O VAL A 93 19.298 -14.816 -9.572 1.00 12.13 O ATOM 1384 CB VAL A 93 16.334 -14.247 -10.585 1.00 51.30 C ATOM 1385 CG1 VAL A 93 16.320 -12.741 -10.799 1.00 23.41 C ATOM 1386 CG2 VAL A 93 15.064 -14.883 -11.128 1.00 45.53 C ATOM 0 H VAL A 93 17.864 -16.700 -10.254 1.00 13.33 H new ATOM 0 HA VAL A 93 17.579 -14.626 -12.306 1.00 70.50 H new ATOM 0 HB VAL A 93 16.378 -14.437 -9.513 1.00 51.30 H new ATOM 0 HG11 VAL A 93 15.435 -12.314 -10.326 1.00 23.41 H new ATOM 0 HG12 VAL A 93 17.215 -12.302 -10.357 1.00 23.41 H new ATOM 0 HG13 VAL A 93 16.300 -12.525 -11.867 1.00 23.41 H new ATOM 0 HG21 VAL A 93 14.196 -14.427 -10.651 1.00 45.53 H new ATOM 0 HG22 VAL A 93 15.010 -14.726 -12.205 1.00 45.53 H new ATOM 0 HG23 VAL A 93 15.074 -15.952 -10.918 1.00 45.53 H new ATOM 1396 N VAL A 94 19.368 -13.244 -11.180 1.00 2.22 N ATOM 1397 CA VAL A 94 20.567 -12.603 -10.655 1.00 2.02 C ATOM 1398 C VAL A 94 20.248 -11.225 -10.082 1.00 12.31 C ATOM 1399 O VAL A 94 19.611 -10.401 -10.739 1.00 50.11 O ATOM 1400 CB VAL A 94 21.649 -12.457 -11.741 1.00 14.01 C ATOM 1401 CG1 VAL A 94 22.896 -11.801 -11.169 1.00 20.21 C ATOM 1402 CG2 VAL A 94 21.980 -13.812 -12.348 1.00 30.43 C ATOM 0 H VAL A 94 18.993 -12.809 -12.023 1.00 2.22 H new ATOM 0 HA VAL A 94 20.946 -13.246 -9.860 1.00 2.02 H new ATOM 0 HB VAL A 94 21.261 -11.815 -12.532 1.00 14.01 H new ATOM 0 HG11 VAL A 94 23.649 -11.707 -11.951 1.00 20.21 H new ATOM 0 HG12 VAL A 94 22.644 -10.812 -10.787 1.00 20.21 H new ATOM 0 HG13 VAL A 94 23.290 -12.414 -10.358 1.00 20.21 H new ATOM 0 HG21 VAL A 94 22.746 -13.690 -13.114 1.00 30.43 H new ATOM 0 HG22 VAL A 94 22.348 -14.480 -11.569 1.00 30.43 H new ATOM 0 HG23 VAL A 94 21.083 -14.238 -12.797 1.00 30.43 H new ATOM 1412 N PHE A 95 20.695 -10.983 -8.855 1.00 1.21 N ATOM 1413 CA PHE A 95 20.457 -9.706 -8.193 1.00 71.43 C ATOM 1414 C PHE A 95 21.774 -9.033 -7.818 1.00 71.25 C ATOM 1415 O PHE A 95 22.590 -9.602 -7.092 1.00 40.21 O ATOM 1416 CB PHE A 95 19.599 -9.907 -6.942 1.00 71.11 C ATOM 1417 CG PHE A 95 18.350 -10.702 -7.192 1.00 42.22 C ATOM 1418 CD1 PHE A 95 18.383 -12.087 -7.202 1.00 51.32 C ATOM 1419 CD2 PHE A 95 17.141 -10.063 -7.421 1.00 41.22 C ATOM 1420 CE1 PHE A 95 17.235 -12.821 -7.432 1.00 43.10 C ATOM 1421 CE2 PHE A 95 15.989 -10.792 -7.650 1.00 42.40 C ATOM 1422 CZ PHE A 95 16.037 -12.173 -7.658 1.00 23.11 C ATOM 0 H PHE A 95 21.224 -11.654 -8.299 1.00 1.21 H new ATOM 0 HA PHE A 95 19.924 -9.059 -8.890 1.00 71.43 H new ATOM 0 HB2 PHE A 95 20.194 -10.411 -6.180 1.00 71.11 H new ATOM 0 HB3 PHE A 95 19.325 -8.932 -6.539 1.00 71.11 H new ATOM 0 HD1 PHE A 95 19.318 -12.599 -7.028 1.00 51.32 H new ATOM 0 HD2 PHE A 95 17.099 -8.984 -7.420 1.00 41.22 H new ATOM 0 HE1 PHE A 95 17.275 -13.900 -7.435 1.00 43.10 H new ATOM 0 HE2 PHE A 95 15.052 -10.283 -7.822 1.00 42.40 H new ATOM 0 HZ PHE A 95 15.139 -12.744 -7.841 1.00 23.11 H new ATOM 1432 N THR A 96 21.975 -7.819 -8.319 1.00 53.44 N ATOM 1433 CA THR A 96 23.193 -7.069 -8.039 1.00 53.12 C ATOM 1434 C THR A 96 22.971 -6.059 -6.918 1.00 30.54 C ATOM 1435 O THR A 96 21.929 -5.410 -6.853 1.00 64.13 O ATOM 1436 CB THR A 96 23.696 -6.326 -9.291 1.00 32.55 C ATOM 1437 OG1 THR A 96 23.724 -7.218 -10.411 1.00 35.50 O ATOM 1438 CG2 THR A 96 25.086 -5.752 -9.059 1.00 22.52 C ATOM 0 H THR A 96 21.310 -7.334 -8.921 1.00 53.44 H new ATOM 0 HA THR A 96 23.946 -7.794 -7.729 1.00 53.12 H new ATOM 0 HB THR A 96 23.011 -5.504 -9.498 1.00 32.55 H new ATOM 0 HG1 THR A 96 24.043 -6.738 -11.204 1.00 35.50 H new ATOM 0 HG21 THR A 96 25.420 -5.232 -9.957 1.00 22.52 H new ATOM 0 HG22 THR A 96 25.056 -5.052 -8.224 1.00 22.52 H new ATOM 0 HG23 THR A 96 25.780 -6.561 -8.829 1.00 22.52 H new ATOM 1446 N ALA A 97 23.960 -5.931 -6.039 1.00 62.01 N ATOM 1447 CA ALA A 97 23.874 -4.999 -4.923 1.00 43.35 C ATOM 1448 C ALA A 97 24.612 -3.701 -5.234 1.00 12.42 C ATOM 1449 O ALA A 97 25.675 -3.714 -5.851 1.00 52.21 O ATOM 1450 CB ALA A 97 24.431 -5.635 -3.658 1.00 10.43 C ATOM 0 H ALA A 97 24.830 -6.462 -6.079 1.00 62.01 H new ATOM 0 HA ALA A 97 22.823 -4.760 -4.763 1.00 43.35 H new ATOM 0 HB1 ALA A 97 24.360 -4.926 -2.833 1.00 10.43 H new ATOM 0 HB2 ALA A 97 23.857 -6.530 -3.418 1.00 10.43 H new ATOM 0 HB3 ALA A 97 25.475 -5.905 -3.816 1.00 10.43 H new ATOM 1456 N ASN A 98 24.040 -2.582 -4.801 1.00 22.42 N ATOM 1457 CA ASN A 98 24.643 -1.275 -5.035 1.00 70.24 C ATOM 1458 C ASN A 98 25.402 -0.798 -3.800 1.00 0.21 C ATOM 1459 O ASN A 98 25.603 0.401 -3.607 1.00 44.32 O ATOM 1460 CB ASN A 98 23.568 -0.254 -5.413 1.00 53.32 C ATOM 1461 CG ASN A 98 24.146 0.962 -6.112 1.00 65.42 C ATOM 1462 OD1 ASN A 98 24.550 0.891 -7.272 1.00 61.01 O ATOM 1463 ND2 ASN A 98 24.188 2.085 -5.405 1.00 50.32 N ATOM 0 H ASN A 98 23.160 -2.554 -4.286 1.00 22.42 H new ATOM 0 HA ASN A 98 25.349 -1.370 -5.860 1.00 70.24 H new ATOM 0 HB2 ASN A 98 22.833 -0.728 -6.063 1.00 53.32 H new ATOM 0 HB3 ASN A 98 23.040 0.064 -4.514 1.00 53.32 H new ATOM 0 HD21 ASN A 98 24.567 2.936 -5.821 1.00 50.32 H new ATOM 0 HD22 ASN A 98 23.841 2.097 -4.446 1.00 50.32 H new ATOM 1470 N ASP A 99 25.821 -1.744 -2.967 1.00 15.12 N ATOM 1471 CA ASP A 99 26.560 -1.422 -1.752 1.00 4.24 C ATOM 1472 C ASP A 99 25.818 -0.376 -0.927 1.00 73.21 C ATOM 1473 O ASP A 99 26.424 0.556 -0.397 1.00 53.11 O ATOM 1474 CB ASP A 99 27.960 -0.915 -2.101 1.00 62.12 C ATOM 1475 CG ASP A 99 28.582 -1.677 -3.254 1.00 13.14 C ATOM 1476 OD1 ASP A 99 28.226 -1.388 -4.415 1.00 55.13 O ATOM 1477 OD2 ASP A 99 29.422 -2.564 -2.995 1.00 52.50 O1- ATOM 0 H ASP A 99 25.661 -2.741 -3.111 1.00 15.12 H new ATOM 0 HA ASP A 99 26.649 -2.331 -1.158 1.00 4.24 H new ATOM 0 HB2 ASP A 99 27.907 0.143 -2.356 1.00 62.12 H new ATOM 0 HB3 ASP A 99 28.603 -1.000 -1.225 1.00 62.12 H new ATOM 1482 N SER A 100 24.502 -0.535 -0.823 1.00 64.11 N ATOM 1483 CA SER A 100 23.676 0.399 -0.066 1.00 51.44 C ATOM 1484 C SER A 100 22.334 -0.232 0.293 1.00 2.13 C ATOM 1485 O SER A 100 21.964 -1.277 -0.240 1.00 24.13 O ATOM 1486 CB SER A 100 23.451 1.681 -0.871 1.00 72.33 C ATOM 1487 OG SER A 100 24.364 2.692 -0.484 1.00 61.25 O ATOM 0 H SER A 100 23.985 -1.302 -1.253 1.00 64.11 H new ATOM 0 HA SER A 100 24.201 0.645 0.857 1.00 51.44 H new ATOM 0 HB2 SER A 100 23.565 1.471 -1.935 1.00 72.33 H new ATOM 0 HB3 SER A 100 22.430 2.033 -0.723 1.00 72.33 H new ATOM 0 HG SER A 100 25.251 2.298 -0.351 1.00 61.25 H new ATOM 1493 N GLY A 101 21.610 0.412 1.203 1.00 42.21 N ATOM 1494 CA GLY A 101 20.317 -0.099 1.619 1.00 53.22 C ATOM 1495 C GLY A 101 20.322 -0.588 3.054 1.00 10.13 C ATOM 1496 O GLY A 101 21.374 -0.787 3.661 1.00 41.01 O ATOM 0 H GLY A 101 21.896 1.278 1.660 1.00 42.21 H new ATOM 0 HA2 GLY A 101 19.567 0.684 1.508 1.00 53.22 H new ATOM 0 HA3 GLY A 101 20.024 -0.917 0.961 1.00 53.22 H new ATOM 1500 N PRO A 102 19.122 -0.788 3.619 1.00 72.31 N ATOM 1501 CA PRO A 102 18.965 -1.259 4.999 1.00 62.41 C ATOM 1502 C PRO A 102 19.397 -2.711 5.169 1.00 55.41 C ATOM 1503 O PRO A 102 19.969 -3.309 4.257 1.00 30.03 O ATOM 1504 CB PRO A 102 17.463 -1.115 5.255 1.00 3.05 C ATOM 1505 CG PRO A 102 16.840 -1.195 3.904 1.00 21.03 C ATOM 1506 CD PRO A 102 17.825 -0.573 2.955 1.00 22.35 C ATOM 0 HA PRO A 102 19.586 -0.695 5.695 1.00 62.41 H new ATOM 0 HB2 PRO A 102 17.095 -1.906 5.908 1.00 3.05 H new ATOM 0 HB3 PRO A 102 17.233 -0.167 5.742 1.00 3.05 H new ATOM 0 HG2 PRO A 102 16.635 -2.230 3.630 1.00 21.03 H new ATOM 0 HG3 PRO A 102 15.888 -0.664 3.881 1.00 21.03 H new ATOM 0 HD2 PRO A 102 17.792 -1.047 1.974 1.00 22.35 H new ATOM 0 HD3 PRO A 102 17.622 0.487 2.803 1.00 22.35 H new ATOM 1514 N ARG A 103 19.119 -3.273 6.341 1.00 52.42 N ATOM 1515 CA ARG A 103 19.481 -4.656 6.631 1.00 64.24 C ATOM 1516 C ARG A 103 18.274 -5.577 6.472 1.00 1.20 C ATOM 1517 O ARG A 103 18.039 -6.455 7.301 1.00 43.01 O ATOM 1518 CB ARG A 103 20.042 -4.773 8.049 1.00 21.14 C ATOM 1519 CG ARG A 103 20.919 -5.996 8.258 1.00 71.15 C ATOM 1520 CD ARG A 103 22.027 -5.722 9.262 1.00 40.02 C ATOM 1521 NE ARG A 103 21.926 -6.585 10.437 1.00 23.44 N ATOM 1522 CZ ARG A 103 21.105 -6.347 11.454 1.00 72.30 C ATOM 1523 NH1 ARG A 103 20.318 -5.280 11.439 1.00 12.31 N1+ ATOM 1524 NH2 ARG A 103 21.070 -7.178 12.488 1.00 23.55 N ATOM 0 H ARG A 103 18.644 -2.792 7.105 1.00 52.42 H new ATOM 0 HA ARG A 103 20.248 -4.962 5.919 1.00 64.24 H new ATOM 0 HB2 ARG A 103 20.621 -3.878 8.276 1.00 21.14 H new ATOM 0 HB3 ARG A 103 19.214 -4.805 8.757 1.00 21.14 H new ATOM 0 HG2 ARG A 103 20.308 -6.828 8.607 1.00 71.15 H new ATOM 0 HG3 ARG A 103 21.356 -6.299 7.306 1.00 71.15 H new ATOM 0 HD2 ARG A 103 22.995 -5.872 8.784 1.00 40.02 H new ATOM 0 HD3 ARG A 103 21.984 -4.678 9.574 1.00 40.02 H new ATOM 0 HE ARG A 103 22.518 -7.415 10.479 1.00 23.44 H new ATOM 0 HH11 ARG A 103 20.342 -4.640 10.645 1.00 12.31 H new ATOM 0 HH12 ARG A 103 19.689 -5.100 12.221 1.00 12.31 H new ATOM 0 HH21 ARG A 103 21.674 -8.000 12.502 1.00 23.55 H new ATOM 0 HH22 ARG A 103 20.439 -6.995 13.269 1.00 23.55 H new ATOM 1538 N ARG A 104 17.516 -5.370 5.400 1.00 42.23 N ATOM 1539 CA ARG A 104 16.333 -6.181 5.133 1.00 3.34 C ATOM 1540 C ARG A 104 15.817 -5.939 3.718 1.00 11.24 C ATOM 1541 O ARG A 104 15.507 -4.808 3.343 1.00 3.33 O ATOM 1542 CB ARG A 104 15.233 -5.866 6.149 1.00 1.21 C ATOM 1543 CG ARG A 104 14.947 -4.381 6.296 1.00 52.32 C ATOM 1544 CD ARG A 104 13.828 -4.126 7.294 1.00 23.35 C ATOM 1545 NE ARG A 104 12.526 -4.536 6.775 1.00 23.43 N ATOM 1546 CZ ARG A 104 11.443 -4.674 7.532 1.00 61.22 C ATOM 1547 NH1 ARG A 104 11.506 -4.435 8.834 1.00 21.23 N1+ ATOM 1548 NH2 ARG A 104 10.294 -5.050 6.985 1.00 61.40 N ATOM 0 H ARG A 104 17.699 -4.649 4.703 1.00 42.23 H new ATOM 0 HA ARG A 104 16.614 -7.230 5.225 1.00 3.34 H new ATOM 0 HB2 ARG A 104 14.317 -6.376 5.850 1.00 1.21 H new ATOM 0 HB3 ARG A 104 15.520 -6.270 7.120 1.00 1.21 H new ATOM 0 HG2 ARG A 104 15.851 -3.866 6.621 1.00 52.32 H new ATOM 0 HG3 ARG A 104 14.674 -3.964 5.327 1.00 52.32 H new ATOM 0 HD2 ARG A 104 14.036 -4.666 8.218 1.00 23.35 H new ATOM 0 HD3 ARG A 104 13.801 -3.065 7.544 1.00 23.35 H new ATOM 0 HE ARG A 104 12.444 -4.727 5.776 1.00 23.43 H new ATOM 0 HH11 ARG A 104 12.387 -4.144 9.257 1.00 21.23 H new ATOM 0 HH12 ARG A 104 10.673 -4.542 9.413 1.00 21.23 H new ATOM 0 HH21 ARG A 104 10.242 -5.233 5.983 1.00 61.40 H new ATOM 0 HH22 ARG A 104 9.463 -5.156 7.567 1.00 61.40 H new ATOM 1562 N TYR A 105 15.729 -7.009 2.936 1.00 64.52 N ATOM 1563 CA TYR A 105 15.253 -6.914 1.561 1.00 43.23 C ATOM 1564 C TYR A 105 14.456 -8.157 1.173 1.00 12.34 C ATOM 1565 O TYR A 105 14.954 -9.280 1.255 1.00 73.32 O ATOM 1566 CB TYR A 105 16.431 -6.730 0.603 1.00 4.01 C ATOM 1567 CG TYR A 105 16.797 -5.283 0.364 1.00 12.10 C ATOM 1568 CD1 TYR A 105 15.992 -4.463 -0.418 1.00 71.31 C ATOM 1569 CD2 TYR A 105 17.947 -4.735 0.918 1.00 32.04 C ATOM 1570 CE1 TYR A 105 16.322 -3.141 -0.641 1.00 24.24 C ATOM 1571 CE2 TYR A 105 18.284 -3.414 0.702 1.00 72.42 C ATOM 1572 CZ TYR A 105 17.469 -2.620 -0.078 1.00 22.41 C ATOM 1573 OH TYR A 105 17.802 -1.303 -0.296 1.00 41.31 O ATOM 0 H TYR A 105 15.981 -7.952 3.231 1.00 64.52 H new ATOM 0 HA TYR A 105 14.597 -6.047 1.490 1.00 43.23 H new ATOM 0 HB2 TYR A 105 17.299 -7.254 1.003 1.00 4.01 H new ATOM 0 HB3 TYR A 105 16.188 -7.197 -0.352 1.00 4.01 H new ATOM 0 HD1 TYR A 105 15.093 -4.867 -0.859 1.00 71.31 H new ATOM 0 HD2 TYR A 105 18.589 -5.353 1.528 1.00 32.04 H new ATOM 0 HE1 TYR A 105 15.686 -2.518 -1.253 1.00 24.24 H new ATOM 0 HE2 TYR A 105 19.181 -3.004 1.141 1.00 72.42 H new ATOM 0 HH TYR A 105 16.986 -0.776 -0.423 1.00 41.31 H new ATOM 1583 N THR A 106 13.214 -7.946 0.748 1.00 61.33 N ATOM 1584 CA THR A 106 12.347 -9.047 0.348 1.00 12.11 C ATOM 1585 C THR A 106 12.078 -9.016 -1.153 1.00 32.31 C ATOM 1586 O THR A 106 11.837 -7.954 -1.728 1.00 11.53 O ATOM 1587 CB THR A 106 11.003 -9.005 1.100 1.00 42.34 C ATOM 1588 OG1 THR A 106 11.233 -9.004 2.513 1.00 34.34 O ATOM 1589 CG2 THR A 106 10.136 -10.198 0.724 1.00 20.22 C ATOM 0 H THR A 106 12.786 -7.023 0.672 1.00 61.33 H new ATOM 0 HA THR A 106 12.868 -9.970 0.603 1.00 12.11 H new ATOM 0 HB THR A 106 10.481 -8.091 0.816 1.00 42.34 H new ATOM 0 HG1 THR A 106 10.789 -9.779 2.917 1.00 34.34 H new ATOM 0 HG21 THR A 106 9.192 -10.147 1.267 1.00 20.22 H new ATOM 0 HG22 THR A 106 9.939 -10.181 -0.348 1.00 20.22 H new ATOM 0 HG23 THR A 106 10.655 -11.121 0.983 1.00 20.22 H new ATOM 1597 N ILE A 107 12.119 -10.186 -1.780 1.00 71.42 N ATOM 1598 CA ILE A 107 11.877 -10.292 -3.214 1.00 74.04 C ATOM 1599 C ILE A 107 10.605 -11.084 -3.500 1.00 33.14 C ATOM 1600 O ILE A 107 10.491 -12.251 -3.127 1.00 43.14 O ATOM 1601 CB ILE A 107 13.060 -10.965 -3.936 1.00 63.22 C ATOM 1602 CG1 ILE A 107 14.345 -10.168 -3.706 1.00 62.44 C ATOM 1603 CG2 ILE A 107 12.769 -11.093 -5.424 1.00 32.41 C ATOM 1604 CD1 ILE A 107 14.272 -8.743 -4.210 1.00 2.32 C ATOM 0 H ILE A 107 12.317 -11.074 -1.318 1.00 71.42 H new ATOM 0 HA ILE A 107 11.762 -9.276 -3.591 1.00 74.04 H new ATOM 0 HB ILE A 107 13.196 -11.965 -3.525 1.00 63.22 H new ATOM 0 HG12 ILE A 107 14.569 -10.156 -2.639 1.00 62.44 H new ATOM 0 HG13 ILE A 107 15.172 -10.678 -4.200 1.00 62.44 H new ATOM 0 HG21 ILE A 107 13.614 -11.570 -5.920 1.00 32.41 H new ATOM 0 HG22 ILE A 107 11.874 -11.698 -5.569 1.00 32.41 H new ATOM 0 HG23 ILE A 107 12.610 -10.102 -5.850 1.00 32.41 H new ATOM 0 HD11 ILE A 107 15.218 -8.239 -4.013 1.00 2.32 H new ATOM 0 HD12 ILE A 107 14.079 -8.746 -5.283 1.00 2.32 H new ATOM 0 HD13 ILE A 107 13.467 -8.217 -3.698 1.00 2.32 H new ATOM 1616 N ALA A 108 9.653 -10.440 -4.166 1.00 44.40 N ATOM 1617 CA ALA A 108 8.390 -11.086 -4.506 1.00 61.41 C ATOM 1618 C ALA A 108 8.410 -11.612 -5.937 1.00 62.14 C ATOM 1619 O ALA A 108 8.653 -10.861 -6.881 1.00 70.45 O ATOM 1620 CB ALA A 108 7.234 -10.114 -4.316 1.00 74.04 C ATOM 0 H ALA A 108 9.731 -9.473 -4.481 1.00 44.40 H new ATOM 0 HA ALA A 108 8.252 -11.935 -3.837 1.00 61.41 H new ATOM 0 HB1 ALA A 108 6.297 -10.608 -4.573 1.00 74.04 H new ATOM 0 HB2 ALA A 108 7.199 -9.789 -3.276 1.00 74.04 H new ATOM 0 HB3 ALA A 108 7.377 -9.248 -4.962 1.00 74.04 H new ATOM 1626 N ALA A 109 8.155 -12.906 -6.091 1.00 63.14 N ATOM 1627 CA ALA A 109 8.142 -13.533 -7.406 1.00 74.21 C ATOM 1628 C ALA A 109 6.924 -14.434 -7.574 1.00 35.54 C ATOM 1629 O ALA A 109 6.546 -15.161 -6.656 1.00 62.10 O ATOM 1630 CB ALA A 109 9.422 -14.327 -7.625 1.00 25.13 C ATOM 0 H ALA A 109 7.954 -13.542 -5.319 1.00 63.14 H new ATOM 0 HA ALA A 109 8.083 -12.744 -8.156 1.00 74.21 H new ATOM 0 HB1 ALA A 109 9.399 -14.790 -8.611 1.00 25.13 H new ATOM 0 HB2 ALA A 109 10.281 -13.659 -7.558 1.00 25.13 H new ATOM 0 HB3 ALA A 109 9.505 -15.102 -6.863 1.00 25.13 H new ATOM 1636 N MET A 110 6.312 -14.381 -8.753 1.00 70.32 N ATOM 1637 CA MET A 110 5.136 -15.194 -9.041 1.00 45.12 C ATOM 1638 C MET A 110 5.478 -16.322 -10.007 1.00 15.33 C ATOM 1639 O MET A 110 6.255 -16.137 -10.944 1.00 41.41 O ATOM 1640 CB MET A 110 4.021 -14.326 -9.627 1.00 74.03 C ATOM 1641 CG MET A 110 3.225 -13.567 -8.576 1.00 13.10 C ATOM 1642 SD MET A 110 1.474 -13.444 -8.985 1.00 31.04 S ATOM 1643 CE MET A 110 0.741 -14.304 -7.596 1.00 0.14 C ATOM 0 H MET A 110 6.611 -13.784 -9.524 1.00 70.32 H new ATOM 0 HA MET A 110 4.791 -15.633 -8.105 1.00 45.12 H new ATOM 0 HB2 MET A 110 4.457 -13.612 -10.326 1.00 74.03 H new ATOM 0 HB3 MET A 110 3.342 -14.958 -10.199 1.00 74.03 H new ATOM 0 HG2 MET A 110 3.335 -14.065 -7.613 1.00 13.10 H new ATOM 0 HG3 MET A 110 3.639 -12.565 -8.466 1.00 13.10 H new ATOM 0 HE1 MET A 110 -0.273 -14.610 -7.852 1.00 0.14 H new ATOM 0 HE2 MET A 110 1.337 -15.185 -7.358 1.00 0.14 H new ATOM 0 HE3 MET A 110 0.713 -13.641 -6.731 1.00 0.14 H new ATOM 1653 N LEU A 111 4.894 -17.493 -9.774 1.00 31.10 N ATOM 1654 CA LEU A 111 5.137 -18.653 -10.624 1.00 3.04 C ATOM 1655 C LEU A 111 3.989 -18.858 -11.607 1.00 63.32 C ATOM 1656 O LEU A 111 2.841 -19.052 -11.205 1.00 10.01 O ATOM 1657 CB LEU A 111 5.321 -19.907 -9.768 1.00 34.42 C ATOM 1658 CG LEU A 111 6.765 -20.295 -9.448 1.00 22.01 C ATOM 1659 CD1 LEU A 111 7.570 -19.069 -9.047 1.00 40.44 C ATOM 1660 CD2 LEU A 111 6.805 -21.344 -8.347 1.00 11.55 C ATOM 0 H LEU A 111 4.249 -17.664 -9.003 1.00 31.10 H new ATOM 0 HA LEU A 111 6.049 -18.472 -11.192 1.00 3.04 H new ATOM 0 HB2 LEU A 111 4.788 -19.763 -8.828 1.00 34.42 H new ATOM 0 HB3 LEU A 111 4.846 -20.744 -10.279 1.00 34.42 H new ATOM 0 HG LEU A 111 7.213 -20.722 -10.345 1.00 22.01 H new ATOM 0 HD11 LEU A 111 8.595 -19.364 -8.823 1.00 40.44 H new ATOM 0 HD12 LEU A 111 7.570 -18.350 -9.866 1.00 40.44 H new ATOM 0 HD13 LEU A 111 7.123 -18.613 -8.164 1.00 40.44 H new ATOM 0 HD21 LEU A 111 7.841 -21.608 -8.133 1.00 11.55 H new ATOM 0 HD22 LEU A 111 6.339 -20.944 -7.446 1.00 11.55 H new ATOM 0 HD23 LEU A 111 6.264 -22.233 -8.672 1.00 11.55 H new ATOM 1672 N SER A 112 4.307 -18.816 -12.897 1.00 73.51 N ATOM 1673 CA SER A 112 3.301 -18.996 -13.938 1.00 51.32 C ATOM 1674 C SER A 112 3.918 -19.619 -15.187 1.00 24.21 C ATOM 1675 O SER A 112 4.455 -18.931 -16.055 1.00 14.52 O ATOM 1676 CB SER A 112 2.655 -17.654 -14.290 1.00 2.41 C ATOM 1677 OG SER A 112 1.281 -17.815 -14.600 1.00 5.42 O ATOM 0 H SER A 112 5.252 -18.659 -13.246 1.00 73.51 H new ATOM 0 HA SER A 112 2.535 -19.671 -13.556 1.00 51.32 H new ATOM 0 HB2 SER A 112 2.764 -16.964 -13.453 1.00 2.41 H new ATOM 0 HB3 SER A 112 3.173 -17.209 -15.140 1.00 2.41 H new ATOM 0 HG SER A 112 0.891 -16.943 -14.820 1.00 5.42 H new ATOM 1683 N PRO A 113 3.837 -20.955 -15.281 1.00 54.43 N ATOM 1684 CA PRO A 113 4.381 -21.702 -16.419 1.00 23.13 C ATOM 1685 C PRO A 113 3.588 -21.466 -17.700 1.00 42.52 C ATOM 1686 O PRO A 113 4.133 -21.539 -18.802 1.00 32.13 O ATOM 1687 CB PRO A 113 4.259 -23.162 -15.976 1.00 11.42 C ATOM 1688 CG PRO A 113 3.144 -23.166 -14.988 1.00 14.31 C ATOM 1689 CD PRO A 113 3.210 -21.838 -14.284 1.00 11.21 C ATOM 0 HA PRO A 113 5.401 -21.398 -16.656 1.00 23.13 H new ATOM 0 HB2 PRO A 113 4.042 -23.815 -16.821 1.00 11.42 H new ATOM 0 HB3 PRO A 113 5.186 -23.519 -15.528 1.00 11.42 H new ATOM 0 HG2 PRO A 113 2.183 -23.297 -15.485 1.00 14.31 H new ATOM 0 HG3 PRO A 113 3.252 -23.988 -14.281 1.00 14.31 H new ATOM 0 HD2 PRO A 113 2.219 -21.484 -14.000 1.00 11.21 H new ATOM 0 HD3 PRO A 113 3.801 -21.896 -13.370 1.00 11.21 H new ATOM 1697 N TYR A 114 2.298 -21.183 -17.548 1.00 23.21 N ATOM 1698 CA TYR A 114 1.429 -20.938 -18.692 1.00 4.41 C ATOM 1699 C TYR A 114 1.657 -19.541 -19.261 1.00 5.12 C ATOM 1700 O TYR A 114 2.151 -19.386 -20.377 1.00 62.34 O ATOM 1701 CB TYR A 114 -0.037 -21.105 -18.291 1.00 10.22 C ATOM 1702 CG TYR A 114 -0.294 -22.314 -17.420 1.00 42.23 C ATOM 1703 CD1 TYR A 114 -0.520 -23.564 -17.983 1.00 54.30 C ATOM 1704 CD2 TYR A 114 -0.306 -22.206 -16.035 1.00 64.23 C ATOM 1705 CE1 TYR A 114 -0.755 -24.672 -17.191 1.00 2.11 C ATOM 1706 CE2 TYR A 114 -0.540 -23.309 -15.235 1.00 70.43 C ATOM 1707 CZ TYR A 114 -0.764 -24.539 -15.818 1.00 23.21 C ATOM 1708 OH TYR A 114 -0.997 -25.639 -15.026 1.00 44.10 O ATOM 0 H TYR A 114 1.832 -21.118 -16.643 1.00 23.21 H new ATOM 0 HA TYR A 114 1.673 -21.668 -19.463 1.00 4.41 H new ATOM 0 HB2 TYR A 114 -0.364 -20.210 -17.761 1.00 10.22 H new ATOM 0 HB3 TYR A 114 -0.645 -21.182 -19.193 1.00 10.22 H new ATOM 0 HD1 TYR A 114 -0.512 -23.672 -19.058 1.00 54.30 H new ATOM 0 HD2 TYR A 114 -0.130 -21.245 -15.576 1.00 64.23 H new ATOM 0 HE1 TYR A 114 -0.931 -25.636 -17.644 1.00 2.11 H new ATOM 0 HE2 TYR A 114 -0.547 -23.208 -14.160 1.00 70.43 H new ATOM 0 HH TYR A 114 -0.672 -26.444 -15.480 1.00 44.10 H new ATOM 1718 N SER A 115 1.295 -18.527 -18.483 1.00 54.30 N ATOM 1719 CA SER A 115 1.456 -17.141 -18.908 1.00 50.32 C ATOM 1720 C SER A 115 2.841 -16.617 -18.539 1.00 24.11 C ATOM 1721 O SER A 115 3.649 -17.331 -17.945 1.00 43.12 O ATOM 1722 CB SER A 115 0.379 -16.261 -18.271 1.00 73.32 C ATOM 1723 OG SER A 115 0.085 -15.142 -19.089 1.00 23.24 O ATOM 0 H SER A 115 0.888 -18.639 -17.554 1.00 54.30 H new ATOM 0 HA SER A 115 1.350 -17.105 -19.992 1.00 50.32 H new ATOM 0 HB2 SER A 115 -0.526 -16.847 -18.112 1.00 73.32 H new ATOM 0 HB3 SER A 115 0.715 -15.921 -17.291 1.00 73.32 H new ATOM 0 HG SER A 115 -0.607 -14.596 -18.660 1.00 23.24 H new ATOM 1729 N TYR A 116 3.107 -15.366 -18.895 1.00 51.11 N ATOM 1730 CA TYR A 116 4.394 -14.746 -18.605 1.00 44.22 C ATOM 1731 C TYR A 116 4.622 -14.644 -17.100 1.00 31.31 C ATOM 1732 O TYR A 116 3.761 -14.169 -16.360 1.00 23.43 O ATOM 1733 CB TYR A 116 4.469 -13.355 -19.238 1.00 65.40 C ATOM 1734 CG TYR A 116 3.490 -12.367 -18.645 1.00 71.35 C ATOM 1735 CD1 TYR A 116 2.176 -12.305 -19.094 1.00 11.14 C ATOM 1736 CD2 TYR A 116 3.878 -11.496 -17.635 1.00 61.42 C ATOM 1737 CE1 TYR A 116 1.279 -11.403 -18.556 1.00 2.33 C ATOM 1738 CE2 TYR A 116 2.987 -10.592 -17.090 1.00 43.15 C ATOM 1739 CZ TYR A 116 1.689 -10.549 -17.554 1.00 73.22 C ATOM 1740 OH TYR A 116 0.798 -9.650 -17.014 1.00 0.32 O ATOM 0 H TYR A 116 2.448 -14.761 -19.385 1.00 51.11 H new ATOM 0 HA TYR A 116 5.175 -15.375 -19.032 1.00 44.22 H new ATOM 0 HB2 TYR A 116 5.481 -12.966 -19.122 1.00 65.40 H new ATOM 0 HB3 TYR A 116 4.282 -13.441 -20.308 1.00 65.40 H new ATOM 0 HD1 TYR A 116 1.851 -12.974 -19.877 1.00 11.14 H new ATOM 0 HD2 TYR A 116 4.894 -11.526 -17.269 1.00 61.42 H new ATOM 0 HE1 TYR A 116 0.262 -11.367 -18.918 1.00 2.33 H new ATOM 0 HE2 TYR A 116 3.305 -9.922 -16.305 1.00 43.15 H new ATOM 0 HH TYR A 116 1.245 -9.124 -16.319 1.00 0.32 H new ATOM 1750 N SER A 117 5.791 -15.095 -16.653 1.00 62.40 N ATOM 1751 CA SER A 117 6.134 -15.059 -15.237 1.00 41.11 C ATOM 1752 C SER A 117 6.306 -13.622 -14.756 1.00 1.43 C ATOM 1753 O SER A 117 6.414 -12.693 -15.559 1.00 74.14 O ATOM 1754 CB SER A 117 7.417 -15.853 -14.980 1.00 43.31 C ATOM 1755 OG SER A 117 8.459 -15.428 -15.841 1.00 60.44 O ATOM 0 H SER A 117 6.516 -15.490 -17.252 1.00 62.40 H new ATOM 0 HA SER A 117 5.316 -15.515 -14.679 1.00 41.11 H new ATOM 0 HB2 SER A 117 7.725 -15.728 -13.942 1.00 43.31 H new ATOM 0 HB3 SER A 117 7.227 -16.916 -15.130 1.00 43.31 H new ATOM 0 HG SER A 117 9.269 -15.949 -15.657 1.00 60.44 H new ATOM 1761 N THR A 118 6.332 -13.444 -13.438 1.00 44.23 N ATOM 1762 CA THR A 118 6.491 -12.120 -12.850 1.00 62.12 C ATOM 1763 C THR A 118 7.560 -12.126 -11.763 1.00 51.22 C ATOM 1764 O THR A 118 7.642 -13.060 -10.966 1.00 52.03 O ATOM 1765 CB THR A 118 5.167 -11.611 -12.248 1.00 41.11 C ATOM 1766 OG1 THR A 118 4.059 -12.263 -12.878 1.00 53.34 O ATOM 1767 CG2 THR A 118 5.039 -10.105 -12.419 1.00 30.23 C ATOM 0 H THR A 118 6.245 -14.200 -12.759 1.00 44.23 H new ATOM 0 HA THR A 118 6.798 -11.451 -13.654 1.00 62.12 H new ATOM 0 HB THR A 118 5.166 -11.842 -11.183 1.00 41.11 H new ATOM 0 HG1 THR A 118 3.222 -11.935 -12.488 1.00 53.34 H new ATOM 0 HG21 THR A 118 4.097 -9.768 -11.987 1.00 30.23 H new ATOM 0 HG22 THR A 118 5.868 -9.610 -11.913 1.00 30.23 H new ATOM 0 HG23 THR A 118 5.061 -9.856 -13.480 1.00 30.23 H new ATOM 1775 N MET A 119 8.378 -11.078 -11.738 1.00 51.10 N ATOM 1776 CA MET A 119 9.441 -10.964 -10.748 1.00 43.42 C ATOM 1777 C MET A 119 9.614 -9.516 -10.300 1.00 2.14 C ATOM 1778 O MET A 119 9.856 -8.629 -11.117 1.00 61.44 O ATOM 1779 CB MET A 119 10.758 -11.494 -11.318 1.00 20.41 C ATOM 1780 CG MET A 119 11.720 -12.002 -10.257 1.00 61.24 C ATOM 1781 SD MET A 119 11.729 -13.802 -10.134 1.00 43.35 S ATOM 1782 CE MET A 119 12.955 -14.046 -8.850 1.00 1.53 C ATOM 0 H MET A 119 8.324 -10.297 -12.392 1.00 51.10 H new ATOM 0 HA MET A 119 9.161 -11.563 -9.882 1.00 43.42 H new ATOM 0 HB2 MET A 119 10.542 -12.302 -12.018 1.00 20.41 H new ATOM 0 HB3 MET A 119 11.243 -10.701 -11.887 1.00 20.41 H new ATOM 0 HG2 MET A 119 12.726 -11.652 -10.487 1.00 61.24 H new ATOM 0 HG3 MET A 119 11.447 -11.577 -9.291 1.00 61.24 H new ATOM 0 HE1 MET A 119 13.100 -15.113 -8.684 1.00 1.53 H new ATOM 0 HE2 MET A 119 13.898 -13.595 -9.157 1.00 1.53 H new ATOM 0 HE3 MET A 119 12.613 -13.578 -7.927 1.00 1.53 H new ATOM 1792 N ALA A 120 9.486 -9.284 -8.998 1.00 51.45 N ATOM 1793 CA ALA A 120 9.629 -7.945 -8.442 1.00 71.34 C ATOM 1794 C ALA A 120 10.930 -7.811 -7.658 1.00 72.32 C ATOM 1795 O ALA A 120 11.156 -8.528 -6.684 1.00 32.22 O ATOM 1796 CB ALA A 120 8.439 -7.611 -7.554 1.00 12.35 C ATOM 0 H ALA A 120 9.283 -10.007 -8.308 1.00 51.45 H new ATOM 0 HA ALA A 120 9.660 -7.237 -9.270 1.00 71.34 H new ATOM 0 HB1 ALA A 120 8.560 -6.608 -7.146 1.00 12.35 H new ATOM 0 HB2 ALA A 120 7.522 -7.655 -8.142 1.00 12.35 H new ATOM 0 HB3 ALA A 120 8.381 -8.330 -6.737 1.00 12.35 H new ATOM 1802 N VAL A 121 11.785 -6.889 -8.091 1.00 53.02 N ATOM 1803 CA VAL A 121 13.064 -6.661 -7.430 1.00 21.22 C ATOM 1804 C VAL A 121 13.090 -5.304 -6.734 1.00 45.24 C ATOM 1805 O VAL A 121 12.760 -4.281 -7.334 1.00 55.42 O ATOM 1806 CB VAL A 121 14.234 -6.735 -8.428 1.00 74.22 C ATOM 1807 CG1 VAL A 121 15.558 -6.493 -7.720 1.00 73.31 C ATOM 1808 CG2 VAL A 121 14.239 -8.080 -9.141 1.00 33.42 C ATOM 0 H VAL A 121 11.614 -6.288 -8.897 1.00 53.02 H new ATOM 0 HA VAL A 121 13.180 -7.450 -6.687 1.00 21.22 H new ATOM 0 HB VAL A 121 14.102 -5.952 -9.175 1.00 74.22 H new ATOM 0 HG11 VAL A 121 16.372 -6.549 -8.442 1.00 73.31 H new ATOM 0 HG12 VAL A 121 15.549 -5.505 -7.260 1.00 73.31 H new ATOM 0 HG13 VAL A 121 15.703 -7.251 -6.950 1.00 73.31 H new ATOM 0 HG21 VAL A 121 15.072 -8.117 -9.843 1.00 33.42 H new ATOM 0 HG22 VAL A 121 14.347 -8.880 -8.408 1.00 33.42 H new ATOM 0 HG23 VAL A 121 13.302 -8.208 -9.683 1.00 33.42 H new ATOM 1818 N VAL A 122 13.482 -5.304 -5.465 1.00 24.04 N ATOM 1819 CA VAL A 122 13.553 -4.073 -4.687 1.00 52.24 C ATOM 1820 C VAL A 122 14.994 -3.600 -4.535 1.00 2.02 C ATOM 1821 O VAL A 122 15.805 -4.245 -3.870 1.00 64.54 O ATOM 1822 CB VAL A 122 12.936 -4.256 -3.288 1.00 41.24 C ATOM 1823 CG1 VAL A 122 12.843 -2.921 -2.565 1.00 71.54 C ATOM 1824 CG2 VAL A 122 11.566 -4.911 -3.392 1.00 53.13 C ATOM 0 H VAL A 122 13.756 -6.143 -4.953 1.00 24.04 H new ATOM 0 HA VAL A 122 12.982 -3.322 -5.233 1.00 52.24 H new ATOM 0 HB VAL A 122 13.585 -4.912 -2.707 1.00 41.24 H new ATOM 0 HG11 VAL A 122 12.405 -3.071 -1.578 1.00 71.54 H new ATOM 0 HG12 VAL A 122 13.841 -2.495 -2.458 1.00 71.54 H new ATOM 0 HG13 VAL A 122 12.217 -2.239 -3.140 1.00 71.54 H new ATOM 0 HG21 VAL A 122 11.144 -5.033 -2.394 1.00 53.13 H new ATOM 0 HG22 VAL A 122 10.907 -4.282 -3.990 1.00 53.13 H new ATOM 0 HG23 VAL A 122 11.665 -5.888 -3.866 1.00 53.13 H new ATOM 1834 N THR A 123 15.309 -2.468 -5.158 1.00 65.41 N ATOM 1835 CA THR A 123 16.653 -1.908 -5.093 1.00 45.23 C ATOM 1836 C THR A 123 16.643 -0.525 -4.453 1.00 73.22 C ATOM 1837 O THR A 123 15.735 0.271 -4.686 1.00 50.41 O ATOM 1838 CB THR A 123 17.287 -1.807 -6.494 1.00 11.34 C ATOM 1839 OG1 THR A 123 16.451 -1.030 -7.356 1.00 23.43 O ATOM 1840 CG2 THR A 123 17.497 -3.190 -7.093 1.00 1.51 C ATOM 0 H THR A 123 14.651 -1.921 -5.713 1.00 65.41 H new ATOM 0 HA THR A 123 17.248 -2.585 -4.479 1.00 45.23 H new ATOM 0 HB THR A 123 18.257 -1.320 -6.395 1.00 11.34 H new ATOM 0 HG1 THR A 123 16.862 -0.970 -8.243 1.00 23.43 H new ATOM 0 HG21 THR A 123 17.945 -3.094 -8.082 1.00 1.51 H new ATOM 0 HG22 THR A 123 18.159 -3.769 -6.449 1.00 1.51 H new ATOM 0 HG23 THR A 123 16.537 -3.699 -7.178 1.00 1.51 H new ATOM 1848 N ASN A 124 17.659 -0.246 -3.643 1.00 2.14 N ATOM 1849 CA ASN A 124 17.766 1.043 -2.968 1.00 14.35 C ATOM 1850 C ASN A 124 17.628 2.192 -3.963 1.00 21.24 C ATOM 1851 O ASN A 124 17.840 2.033 -5.165 1.00 34.35 O ATOM 1852 CB ASN A 124 19.104 1.148 -2.233 1.00 43.11 C ATOM 1853 CG ASN A 124 20.246 0.537 -3.023 1.00 33.41 C ATOM 1854 OD1 ASN A 124 20.967 1.237 -3.734 1.00 65.11 O ATOM 1855 ND2 ASN A 124 20.415 -0.774 -2.900 1.00 53.22 N ATOM 0 H ASN A 124 18.419 -0.894 -3.438 1.00 2.14 H new ATOM 0 HA ASN A 124 16.955 1.114 -2.244 1.00 14.35 H new ATOM 0 HB2 ASN A 124 19.324 2.197 -2.033 1.00 43.11 H new ATOM 0 HB3 ASN A 124 19.025 0.649 -1.267 1.00 43.11 H new ATOM 0 HD21 ASN A 124 21.167 -1.241 -3.407 1.00 53.22 H new ATOM 0 HD22 ASN A 124 19.793 -1.314 -2.299 1.00 53.22 H new ATOM 1862 N PRO A 125 17.266 3.377 -3.451 1.00 1.24 N ATOM 1863 CA PRO A 125 17.093 4.576 -4.276 1.00 4.12 C ATOM 1864 C PRO A 125 18.416 5.104 -4.817 1.00 22.32 C ATOM 1865 O PRO A 125 19.137 5.826 -4.128 1.00 40.34 O ATOM 1866 CB PRO A 125 16.470 5.586 -3.309 1.00 23.43 C ATOM 1867 CG PRO A 125 16.911 5.138 -1.959 1.00 21.31 C ATOM 1868 CD PRO A 125 16.997 3.639 -2.026 1.00 10.43 C ATOM 0 HA PRO A 125 16.484 4.378 -5.158 1.00 4.12 H new ATOM 0 HB2 PRO A 125 16.811 6.599 -3.521 1.00 23.43 H new ATOM 0 HB3 PRO A 125 15.383 5.592 -3.389 1.00 23.43 H new ATOM 0 HG2 PRO A 125 17.876 5.573 -1.700 1.00 21.31 H new ATOM 0 HG3 PRO A 125 16.203 5.454 -1.193 1.00 21.31 H new ATOM 0 HD2 PRO A 125 17.793 3.253 -1.389 1.00 10.43 H new ATOM 0 HD3 PRO A 125 16.070 3.168 -1.699 1.00 10.43 H new ATOM 1876 N LYS A 126 18.732 4.740 -6.055 1.00 1.50 N ATOM 1877 CA LYS A 126 19.970 5.178 -6.691 1.00 65.42 C ATOM 1878 C LYS A 126 20.117 6.694 -6.608 1.00 33.33 C ATOM 1879 O LYS A 126 21.229 7.216 -6.572 1.00 12.21 O ATOM 1880 CB LYS A 126 20.003 4.729 -8.154 1.00 4.33 C ATOM 1881 CG LYS A 126 19.094 5.542 -9.058 1.00 21.32 C ATOM 1882 CD LYS A 126 17.629 5.226 -8.809 1.00 73.25 C ATOM 1883 CE LYS A 126 16.739 5.809 -9.896 1.00 21.43 C ATOM 1884 NZ LYS A 126 16.677 4.925 -11.093 1.00 72.12 N1+ ATOM 0 H LYS A 126 18.147 4.142 -6.639 1.00 1.50 H new ATOM 0 HA LYS A 126 20.804 4.721 -6.159 1.00 65.42 H new ATOM 0 HB2 LYS A 126 21.026 4.798 -8.524 1.00 4.33 H new ATOM 0 HB3 LYS A 126 19.714 3.680 -8.210 1.00 4.33 H new ATOM 0 HG2 LYS A 126 19.271 6.605 -8.892 1.00 21.32 H new ATOM 0 HG3 LYS A 126 19.339 5.337 -10.100 1.00 21.32 H new ATOM 0 HD2 LYS A 126 17.491 4.146 -8.766 1.00 73.25 H new ATOM 0 HD3 LYS A 126 17.330 5.625 -7.840 1.00 73.25 H new ATOM 0 HE2 LYS A 126 15.734 5.958 -9.502 1.00 21.43 H new ATOM 0 HE3 LYS A 126 17.116 6.789 -10.187 1.00 21.43 H new ATOM 0 HZ1 LYS A 126 16.061 5.356 -11.812 1.00 72.12 H new ATOM 0 HZ2 LYS A 126 17.633 4.803 -11.484 1.00 72.12 H new ATOM 0 HZ3 LYS A 126 16.294 3.998 -10.820 1.00 72.12 H new ATOM 1898 N GLU A 127 18.986 7.392 -6.577 1.00 63.52 N ATOM 1899 CA GLU A 127 18.991 8.848 -6.499 1.00 4.22 C ATOM 1900 C GLU A 127 19.492 9.317 -5.137 1.00 54.22 C ATOM 1901 O GLU A 127 19.745 8.509 -4.244 1.00 33.32 O ATOM 1902 CB GLU A 127 17.587 9.399 -6.756 1.00 12.12 C ATOM 1903 CG GLU A 127 16.514 8.760 -5.889 1.00 23.42 C ATOM 1904 CD GLU A 127 15.363 9.702 -5.597 1.00 72.31 C ATOM 1905 OE1 GLU A 127 14.399 9.727 -6.391 1.00 54.12 O ATOM 1906 OE2 GLU A 127 15.425 10.414 -4.573 1.00 44.44 O1- ATOM 0 H GLU A 127 18.056 6.973 -6.605 1.00 63.52 H new ATOM 0 HA GLU A 127 19.667 9.226 -7.266 1.00 4.22 H new ATOM 0 HB2 GLU A 127 17.590 10.475 -6.581 1.00 12.12 H new ATOM 0 HB3 GLU A 127 17.333 9.247 -7.805 1.00 12.12 H new ATOM 0 HG2 GLU A 127 16.132 7.869 -6.388 1.00 23.42 H new ATOM 0 HG3 GLU A 127 16.959 8.433 -4.949 1.00 23.42 H new TER 1913 GLU A 127