USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 466 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 2 ASN : amide:sc= 1.2 K(o=2.1,f=-0.17) USER MOD Set 1.2: A 11 THR OG1 : rot -70:sc= 0.879 USER MOD Single : A 1 MET CE :methyl -119:sc= -0.492 (180deg=-4.96!) USER MOD Single : A 1 MET N :NH3+ 139:sc= 2.36 (180deg=0.474) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0.963 K(o=0.96,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 167:sc= -0.0353 (180deg=-0.25) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 39:sc= 0.473 USER MOD Single : A 19 ASN : amide:sc= 0.602 K(o=0.6,f=-8.4!) USER MOD Single : A 21 THR OG1 : rot -170:sc= -0.412 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0202 X(o=-0.02,f=-0.02) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= -1.68 F(o=-3,f=-1.7) USER MOD Single : A 52 THR OG1 : rot 77:sc= 0.736 USER MOD Single : A 53 THR OG1 : rot 39:sc= 0.272 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.480 -11.332 -2.069 1.00 31.53 N ATOM 2 CA MET A 1 -2.618 -10.825 -0.967 1.00 75.42 C ATOM 3 C MET A 1 -3.046 -9.415 -0.526 1.00 0.21 C ATOM 4 O MET A 1 -3.645 -8.665 -1.298 1.00 13.32 O ATOM 5 CB MET A 1 -1.141 -10.829 -1.395 1.00 64.34 C ATOM 6 CG MET A 1 -0.819 -9.913 -2.569 1.00 3.53 C ATOM 7 SD MET A 1 0.904 -10.046 -3.084 1.00 22.12 S ATOM 8 CE MET A 1 0.949 -8.918 -4.476 1.00 43.50 C ATOM 0 H1 MET A 1 -2.892 -11.823 -2.772 1.00 31.53 H new ATOM 0 H2 MET A 1 -4.183 -11.994 -1.683 1.00 31.53 H new ATOM 0 H3 MET A 1 -3.968 -10.534 -2.523 1.00 31.53 H new ATOM 0 HA MET A 1 -2.738 -11.493 -0.114 1.00 75.42 H new ATOM 0 HB2 MET A 1 -0.528 -10.535 -0.543 1.00 64.34 H new ATOM 0 HB3 MET A 1 -0.855 -11.848 -1.657 1.00 64.34 H new ATOM 0 HG2 MET A 1 -1.468 -10.160 -3.409 1.00 3.53 H new ATOM 0 HG3 MET A 1 -1.035 -8.881 -2.292 1.00 3.53 H new ATOM 0 HE1 MET A 1 1.224 -9.464 -5.378 1.00 43.50 H new ATOM 0 HE2 MET A 1 -0.034 -8.467 -4.610 1.00 43.50 H new ATOM 0 HE3 MET A 1 1.685 -8.136 -4.287 1.00 43.50 H new ATOM 20 N ASN A 2 -2.743 -9.070 0.725 1.00 55.33 N ATOM 21 CA ASN A 2 -3.066 -7.745 1.272 1.00 73.05 C ATOM 22 C ASN A 2 -1.892 -6.773 1.096 1.00 73.54 C ATOM 23 O ASN A 2 -0.770 -7.064 1.505 1.00 65.15 O ATOM 24 CB ASN A 2 -3.415 -7.855 2.762 1.00 11.40 C ATOM 25 CG ASN A 2 -4.653 -8.693 3.008 1.00 15.42 C ATOM 26 OD1 ASN A 2 -5.768 -8.183 3.027 1.00 30.14 O ATOM 27 ND2 ASN A 2 -4.473 -9.984 3.197 1.00 25.44 N ATOM 0 H ASN A 2 -2.272 -9.690 1.384 1.00 55.33 H new ATOM 0 HA ASN A 2 -3.925 -7.360 0.723 1.00 73.05 H new ATOM 0 HB2 ASN A 2 -2.572 -8.292 3.298 1.00 11.40 H new ATOM 0 HB3 ASN A 2 -3.569 -6.856 3.170 1.00 11.40 H new ATOM 0 HD21 ASN A 2 -5.275 -10.591 3.365 1.00 25.44 H new ATOM 0 HD22 ASN A 2 -3.532 -10.376 3.175 1.00 25.44 H new ATOM 34 N LEU A 3 -2.149 -5.617 0.491 1.00 10.42 N ATOM 35 CA LEU A 3 -1.109 -4.595 0.298 1.00 61.04 C ATOM 36 C LEU A 3 -1.552 -3.233 0.855 1.00 34.53 C ATOM 37 O LEU A 3 -2.681 -2.796 0.634 1.00 31.21 O ATOM 38 CB LEU A 3 -0.768 -4.458 -1.191 1.00 33.25 C ATOM 39 CG LEU A 3 -0.235 -5.730 -1.873 1.00 51.24 C ATOM 40 CD1 LEU A 3 0.003 -5.484 -3.362 1.00 53.41 C ATOM 41 CD2 LEU A 3 1.045 -6.211 -1.194 1.00 20.23 C ATOM 0 H LEU A 3 -3.065 -5.359 0.124 1.00 10.42 H new ATOM 0 HA LEU A 3 -0.223 -4.917 0.845 1.00 61.04 H new ATOM 0 HB2 LEU A 3 -1.663 -4.131 -1.721 1.00 33.25 H new ATOM 0 HB3 LEU A 3 -0.025 -3.669 -1.304 1.00 33.25 H new ATOM 0 HG LEU A 3 -0.988 -6.512 -1.772 1.00 51.24 H new ATOM 0 HD11 LEU A 3 0.380 -6.396 -3.826 1.00 53.41 H new ATOM 0 HD12 LEU A 3 -0.934 -5.196 -3.838 1.00 53.41 H new ATOM 0 HD13 LEU A 3 0.734 -4.685 -3.487 1.00 53.41 H new ATOM 0 HD21 LEU A 3 1.405 -7.111 -1.692 1.00 20.23 H new ATOM 0 HD22 LEU A 3 1.805 -5.433 -1.258 1.00 20.23 H new ATOM 0 HD23 LEU A 3 0.840 -6.433 -0.147 1.00 20.23 H new ATOM 53 N THR A 4 -0.658 -2.570 1.580 1.00 71.44 N ATOM 54 CA THR A 4 -0.944 -1.244 2.144 1.00 72.10 C ATOM 55 C THR A 4 -0.439 -0.130 1.215 1.00 13.22 C ATOM 56 O THR A 4 0.749 0.191 1.199 1.00 4.34 O ATOM 57 CB THR A 4 -0.308 -1.075 3.548 1.00 4.24 C ATOM 58 OG1 THR A 4 -0.762 -2.122 4.424 1.00 15.14 O ATOM 59 CG2 THR A 4 -0.658 0.283 4.157 1.00 44.04 C ATOM 0 H THR A 4 0.274 -2.925 1.795 1.00 71.44 H new ATOM 0 HA THR A 4 -2.027 -1.165 2.241 1.00 72.10 H new ATOM 0 HB THR A 4 0.774 -1.133 3.433 1.00 4.24 H new ATOM 0 HG1 THR A 4 -0.354 -2.009 5.308 1.00 15.14 H new ATOM 0 HG21 THR A 4 -0.197 0.370 5.141 1.00 44.04 H new ATOM 0 HG22 THR A 4 -0.287 1.078 3.511 1.00 44.04 H new ATOM 0 HG23 THR A 4 -1.740 0.370 4.254 1.00 44.04 H new ATOM 67 N VAL A 5 -1.345 0.445 0.429 1.00 51.32 N ATOM 68 CA VAL A 5 -0.994 1.510 -0.520 1.00 61.12 C ATOM 69 C VAL A 5 -1.350 2.901 0.037 1.00 5.24 C ATOM 70 O VAL A 5 -2.495 3.158 0.419 1.00 72.25 O ATOM 71 CB VAL A 5 -1.694 1.296 -1.892 1.00 72.13 C ATOM 72 CG1 VAL A 5 -1.191 0.019 -2.564 1.00 21.45 C ATOM 73 CG2 VAL A 5 -3.216 1.253 -1.735 1.00 61.04 C ATOM 0 H VAL A 5 -2.333 0.193 0.427 1.00 51.32 H new ATOM 0 HA VAL A 5 0.085 1.462 -0.667 1.00 61.12 H new ATOM 0 HB VAL A 5 -1.443 2.144 -2.529 1.00 72.13 H new ATOM 0 HG11 VAL A 5 -1.694 -0.110 -3.522 1.00 21.45 H new ATOM 0 HG12 VAL A 5 -0.116 0.092 -2.726 1.00 21.45 H new ATOM 0 HG13 VAL A 5 -1.404 -0.837 -1.924 1.00 21.45 H new ATOM 0 HG21 VAL A 5 -3.678 1.102 -2.711 1.00 61.04 H new ATOM 0 HG22 VAL A 5 -3.490 0.432 -1.073 1.00 61.04 H new ATOM 0 HG23 VAL A 5 -3.565 2.194 -1.310 1.00 61.04 H new ATOM 83 N ASN A 6 -0.357 3.794 0.099 1.00 60.21 N ATOM 84 CA ASN A 6 -0.550 5.150 0.638 1.00 73.22 C ATOM 85 C ASN A 6 -1.136 5.110 2.058 1.00 70.11 C ATOM 86 O ASN A 6 -2.031 5.886 2.400 1.00 25.25 O ATOM 87 CB ASN A 6 -1.443 5.989 -0.290 1.00 71.14 C ATOM 88 CG ASN A 6 -0.768 6.301 -1.612 1.00 62.52 C ATOM 89 OD1 ASN A 6 -0.029 7.275 -1.729 1.00 1.44 O ATOM 90 ND2 ASN A 6 -1.027 5.497 -2.620 1.00 42.04 N ATOM 0 H ASN A 6 0.594 3.604 -0.218 1.00 60.21 H new ATOM 0 HA ASN A 6 0.430 5.623 0.692 1.00 73.22 H new ATOM 0 HB2 ASN A 6 -2.373 5.453 -0.477 1.00 71.14 H new ATOM 0 HB3 ASN A 6 -1.707 6.921 0.209 1.00 71.14 H new ATOM 0 HD21 ASN A 6 -0.609 5.674 -3.534 1.00 42.04 H new ATOM 0 HD22 ASN A 6 -1.646 4.697 -2.488 1.00 42.04 H new ATOM 97 N GLY A 7 -0.607 4.207 2.879 1.00 73.41 N ATOM 98 CA GLY A 7 -1.086 4.041 4.250 1.00 51.14 C ATOM 99 C GLY A 7 -2.507 3.482 4.346 1.00 42.32 C ATOM 100 O GLY A 7 -3.122 3.512 5.415 1.00 0.11 O ATOM 0 H GLY A 7 0.153 3.579 2.620 1.00 73.41 H new ATOM 0 HA2 GLY A 7 -0.407 3.376 4.784 1.00 51.14 H new ATOM 0 HA3 GLY A 7 -1.050 5.006 4.756 1.00 51.14 H new ATOM 104 N LYS A 8 -3.029 2.974 3.233 1.00 74.31 N ATOM 105 CA LYS A 8 -4.381 2.396 3.190 1.00 23.15 C ATOM 106 C LYS A 8 -4.352 0.971 2.602 1.00 3.52 C ATOM 107 O LYS A 8 -3.841 0.755 1.501 1.00 44.41 O ATOM 108 CB LYS A 8 -5.304 3.298 2.356 1.00 52.35 C ATOM 109 CG LYS A 8 -5.438 4.720 2.903 1.00 20.53 C ATOM 110 CD LYS A 8 -6.279 5.614 1.993 1.00 54.12 C ATOM 111 CE LYS A 8 -6.390 7.032 2.547 1.00 41.44 C ATOM 112 NZ LYS A 8 -5.060 7.684 2.702 1.00 64.41 N ATOM 0 H LYS A 8 -2.537 2.948 2.340 1.00 74.31 H new ATOM 0 HA LYS A 8 -4.765 2.333 4.208 1.00 23.15 H new ATOM 0 HB2 LYS A 8 -4.924 3.346 1.335 1.00 52.35 H new ATOM 0 HB3 LYS A 8 -6.293 2.843 2.307 1.00 52.35 H new ATOM 0 HG2 LYS A 8 -5.891 4.685 3.894 1.00 20.53 H new ATOM 0 HG3 LYS A 8 -4.446 5.156 3.022 1.00 20.53 H new ATOM 0 HD2 LYS A 8 -5.833 5.645 0.999 1.00 54.12 H new ATOM 0 HD3 LYS A 8 -7.276 5.187 1.882 1.00 54.12 H new ATOM 0 HE2 LYS A 8 -7.011 7.632 1.882 1.00 41.44 H new ATOM 0 HE3 LYS A 8 -6.893 7.004 3.514 1.00 41.44 H new ATOM 0 HZ1 LYS A 8 -5.190 8.703 2.867 1.00 64.41 H new ATOM 0 HZ2 LYS A 8 -4.559 7.263 3.511 1.00 64.41 H new ATOM 0 HZ3 LYS A 8 -4.501 7.542 1.837 1.00 64.41 H new ATOM 126 N PRO A 9 -4.895 -0.025 3.332 1.00 32.14 N ATOM 127 CA PRO A 9 -4.847 -1.437 2.912 1.00 41.51 C ATOM 128 C PRO A 9 -5.874 -1.797 1.822 1.00 24.24 C ATOM 129 O PRO A 9 -7.005 -1.307 1.821 1.00 23.20 O ATOM 130 CB PRO A 9 -5.155 -2.186 4.214 1.00 32.32 C ATOM 131 CG PRO A 9 -6.046 -1.260 4.974 1.00 63.51 C ATOM 132 CD PRO A 9 -5.594 0.140 4.626 1.00 42.43 C ATOM 0 HA PRO A 9 -3.888 -1.688 2.458 1.00 41.51 H new ATOM 0 HB2 PRO A 9 -5.647 -3.139 4.017 1.00 32.32 H new ATOM 0 HB3 PRO A 9 -4.244 -2.407 4.770 1.00 32.32 H new ATOM 0 HG2 PRO A 9 -7.090 -1.412 4.700 1.00 63.51 H new ATOM 0 HG3 PRO A 9 -5.969 -1.439 6.047 1.00 63.51 H new ATOM 0 HD2 PRO A 9 -6.439 0.823 4.540 1.00 42.43 H new ATOM 0 HD3 PRO A 9 -4.931 0.548 5.389 1.00 42.43 H new ATOM 140 N SER A 10 -5.461 -2.656 0.890 1.00 51.30 N ATOM 141 CA SER A 10 -6.354 -3.179 -0.155 1.00 72.10 C ATOM 142 C SER A 10 -6.117 -4.684 -0.367 1.00 74.13 C ATOM 143 O SER A 10 -4.983 -5.122 -0.591 1.00 12.23 O ATOM 144 CB SER A 10 -6.148 -2.428 -1.481 1.00 21.44 C ATOM 145 OG SER A 10 -7.042 -2.899 -2.484 1.00 44.31 O ATOM 0 H SER A 10 -4.506 -3.009 0.834 1.00 51.30 H new ATOM 0 HA SER A 10 -7.381 -3.025 0.177 1.00 72.10 H new ATOM 0 HB2 SER A 10 -6.302 -1.360 -1.325 1.00 21.44 H new ATOM 0 HB3 SER A 10 -5.119 -2.555 -1.818 1.00 21.44 H new ATOM 0 HG SER A 10 -6.891 -2.403 -3.316 1.00 44.31 H new ATOM 151 N THR A 11 -7.180 -5.478 -0.275 1.00 14.44 N ATOM 152 CA THR A 11 -7.071 -6.938 -0.418 1.00 52.43 C ATOM 153 C THR A 11 -7.176 -7.369 -1.885 1.00 23.25 C ATOM 154 O THR A 11 -8.273 -7.548 -2.417 1.00 25.24 O ATOM 155 CB THR A 11 -8.161 -7.672 0.402 1.00 72.02 C ATOM 156 OG1 THR A 11 -8.148 -7.214 1.765 1.00 30.31 O ATOM 157 CG2 THR A 11 -7.955 -9.185 0.377 1.00 23.35 C ATOM 0 H THR A 11 -8.127 -5.142 -0.103 1.00 14.44 H new ATOM 0 HA THR A 11 -6.089 -7.214 -0.034 1.00 52.43 H new ATOM 0 HB THR A 11 -9.125 -7.447 -0.055 1.00 72.02 H new ATOM 0 HG1 THR A 11 -7.339 -7.539 2.212 1.00 30.31 H new ATOM 0 HG21 THR A 11 -8.737 -9.668 0.962 1.00 23.35 H new ATOM 0 HG22 THR A 11 -7.999 -9.541 -0.652 1.00 23.35 H new ATOM 0 HG23 THR A 11 -6.981 -9.427 0.803 1.00 23.35 H new ATOM 165 N VAL A 12 -6.032 -7.522 -2.543 1.00 33.30 N ATOM 166 CA VAL A 12 -6.003 -7.965 -3.939 1.00 71.44 C ATOM 167 C VAL A 12 -5.805 -9.491 -4.039 1.00 4.12 C ATOM 168 O VAL A 12 -4.682 -10.002 -3.971 1.00 45.32 O ATOM 169 CB VAL A 12 -4.910 -7.221 -4.757 1.00 74.00 C ATOM 170 CG1 VAL A 12 -5.297 -5.753 -4.951 1.00 11.34 C ATOM 171 CG2 VAL A 12 -3.537 -7.321 -4.087 1.00 34.30 C ATOM 0 H VAL A 12 -5.113 -7.347 -2.137 1.00 33.30 H new ATOM 0 HA VAL A 12 -6.972 -7.716 -4.371 1.00 71.44 H new ATOM 0 HB VAL A 12 -4.841 -7.705 -5.731 1.00 74.00 H new ATOM 0 HG11 VAL A 12 -4.522 -5.245 -5.525 1.00 11.34 H new ATOM 0 HG12 VAL A 12 -6.244 -5.694 -5.488 1.00 11.34 H new ATOM 0 HG13 VAL A 12 -5.401 -5.273 -3.978 1.00 11.34 H new ATOM 0 HG21 VAL A 12 -2.799 -6.789 -4.688 1.00 34.30 H new ATOM 0 HG22 VAL A 12 -3.584 -6.876 -3.093 1.00 34.30 H new ATOM 0 HG23 VAL A 12 -3.249 -8.369 -4.003 1.00 34.30 H new ATOM 181 N ASP A 13 -6.911 -10.226 -4.173 1.00 25.44 N ATOM 182 CA ASP A 13 -6.854 -11.690 -4.253 1.00 3.13 C ATOM 183 C ASP A 13 -6.366 -12.158 -5.637 1.00 64.40 C ATOM 184 O ASP A 13 -6.434 -11.418 -6.620 1.00 24.10 O ATOM 185 CB ASP A 13 -8.224 -12.300 -3.932 1.00 14.01 C ATOM 186 CG ASP A 13 -8.169 -13.815 -3.840 1.00 3.34 C ATOM 187 OD1 ASP A 13 -7.514 -14.330 -2.911 1.00 2.11 O ATOM 188 OD2 ASP A 13 -8.754 -14.499 -4.707 1.00 24.13 O ATOM 0 H ASP A 13 -7.852 -9.836 -4.228 1.00 25.44 H new ATOM 0 HA ASP A 13 -6.135 -12.036 -3.511 1.00 3.13 H new ATOM 0 HB2 ASP A 13 -8.589 -11.893 -2.989 1.00 14.01 H new ATOM 0 HB3 ASP A 13 -8.939 -12.010 -4.702 1.00 14.01 H new ATOM 193 N GLY A 14 -5.879 -13.394 -5.707 1.00 1.45 N ATOM 194 CA GLY A 14 -5.287 -13.902 -6.940 1.00 73.42 C ATOM 195 C GLY A 14 -3.782 -13.683 -6.973 1.00 63.11 C ATOM 196 O GLY A 14 -3.010 -14.615 -7.204 1.00 73.21 O ATOM 0 H GLY A 14 -5.882 -14.057 -4.932 1.00 1.45 H new ATOM 0 HA2 GLY A 14 -5.502 -14.966 -7.035 1.00 73.42 H new ATOM 0 HA3 GLY A 14 -5.746 -13.406 -7.795 1.00 73.42 H new ATOM 200 N ALA A 15 -3.368 -12.441 -6.738 1.00 3.23 N ATOM 201 CA ALA A 15 -1.948 -12.106 -6.608 1.00 21.11 C ATOM 202 C ALA A 15 -1.396 -12.606 -5.263 1.00 2.24 C ATOM 203 O ALA A 15 -1.923 -12.265 -4.198 1.00 23.13 O ATOM 204 CB ALA A 15 -1.746 -10.598 -6.745 1.00 31.33 C ATOM 0 H ALA A 15 -3.997 -11.645 -6.633 1.00 3.23 H new ATOM 0 HA ALA A 15 -1.399 -12.603 -7.408 1.00 21.11 H new ATOM 0 HB1 ALA A 15 -0.686 -10.362 -6.646 1.00 31.33 H new ATOM 0 HB2 ALA A 15 -2.101 -10.271 -7.722 1.00 31.33 H new ATOM 0 HB3 ALA A 15 -2.306 -10.083 -5.964 1.00 31.33 H new ATOM 210 N GLU A 16 -0.349 -13.427 -5.316 1.00 52.14 N ATOM 211 CA GLU A 16 0.255 -14.002 -4.108 1.00 45.54 C ATOM 212 C GLU A 16 1.667 -13.441 -3.864 1.00 20.32 C ATOM 213 O GLU A 16 2.012 -13.040 -2.752 1.00 22.14 O ATOM 214 CB GLU A 16 0.324 -15.528 -4.243 1.00 54.40 C ATOM 215 CG GLU A 16 -1.008 -16.186 -4.597 1.00 1.14 C ATOM 216 CD GLU A 16 -0.908 -17.700 -4.677 1.00 70.13 C ATOM 217 OE1 GLU A 16 -1.052 -18.366 -3.630 1.00 32.11 O ATOM 218 OE2 GLU A 16 -0.673 -18.235 -5.781 1.00 60.34 O ATOM 0 H GLU A 16 0.103 -13.712 -6.185 1.00 52.14 H new ATOM 0 HA GLU A 16 -0.369 -13.732 -3.256 1.00 45.54 H new ATOM 0 HB2 GLU A 16 1.056 -15.781 -5.010 1.00 54.40 H new ATOM 0 HB3 GLU A 16 0.686 -15.949 -3.305 1.00 54.40 H new ATOM 0 HG2 GLU A 16 -1.754 -15.914 -3.850 1.00 1.14 H new ATOM 0 HG3 GLU A 16 -1.358 -15.798 -5.553 1.00 1.14 H new ATOM 225 N SER A 17 2.485 -13.434 -4.911 1.00 61.52 N ATOM 226 CA SER A 17 3.859 -12.926 -4.828 1.00 44.15 C ATOM 227 C SER A 17 4.370 -12.522 -6.215 1.00 72.02 C ATOM 228 O SER A 17 4.660 -13.376 -7.056 1.00 14.02 O ATOM 229 CB SER A 17 4.794 -13.980 -4.206 1.00 33.11 C ATOM 230 OG SER A 17 4.754 -15.206 -4.927 1.00 30.42 O ATOM 0 H SER A 17 2.222 -13.776 -5.835 1.00 61.52 H new ATOM 0 HA SER A 17 3.854 -12.045 -4.187 1.00 44.15 H new ATOM 0 HB2 SER A 17 5.815 -13.599 -4.192 1.00 33.11 H new ATOM 0 HB3 SER A 17 4.506 -14.157 -3.170 1.00 33.11 H new ATOM 0 HG SER A 17 4.707 -15.019 -5.888 1.00 30.42 H new ATOM 236 N LEU A 18 4.464 -11.218 -6.452 1.00 53.11 N ATOM 237 CA LEU A 18 4.867 -10.687 -7.761 1.00 14.31 C ATOM 238 C LEU A 18 5.877 -9.545 -7.611 1.00 32.34 C ATOM 239 O LEU A 18 5.881 -8.840 -6.603 1.00 44.21 O ATOM 240 CB LEU A 18 3.636 -10.176 -8.529 1.00 23.51 C ATOM 241 CG LEU A 18 2.624 -11.250 -8.965 1.00 74.10 C ATOM 242 CD1 LEU A 18 1.392 -10.609 -9.601 1.00 15.01 C ATOM 243 CD2 LEU A 18 3.275 -12.238 -9.931 1.00 70.44 C ATOM 0 H LEU A 18 4.267 -10.501 -5.754 1.00 53.11 H new ATOM 0 HA LEU A 18 5.338 -11.499 -8.316 1.00 14.31 H new ATOM 0 HB2 LEU A 18 3.118 -9.448 -7.904 1.00 23.51 H new ATOM 0 HB3 LEU A 18 3.980 -9.646 -9.417 1.00 23.51 H new ATOM 0 HG LEU A 18 2.303 -11.796 -8.078 1.00 74.10 H new ATOM 0 HD11 LEU A 18 0.691 -11.388 -9.901 1.00 15.01 H new ATOM 0 HD12 LEU A 18 0.913 -9.947 -8.879 1.00 15.01 H new ATOM 0 HD13 LEU A 18 1.692 -10.034 -10.477 1.00 15.01 H new ATOM 0 HD21 LEU A 18 2.545 -12.990 -10.229 1.00 70.44 H new ATOM 0 HD22 LEU A 18 3.628 -11.705 -10.814 1.00 70.44 H new ATOM 0 HD23 LEU A 18 4.118 -12.725 -9.440 1.00 70.44 H new ATOM 255 N ASN A 19 6.734 -9.363 -8.611 1.00 11.05 N ATOM 256 CA ASN A 19 7.644 -8.215 -8.636 1.00 4.31 C ATOM 257 C ASN A 19 6.872 -6.936 -8.993 1.00 52.21 C ATOM 258 O ASN A 19 5.799 -7.002 -9.598 1.00 61.21 O ATOM 259 CB ASN A 19 8.801 -8.462 -9.617 1.00 14.32 C ATOM 260 CG ASN A 19 8.328 -8.753 -11.030 1.00 71.40 C ATOM 261 OD1 ASN A 19 7.239 -9.272 -11.239 1.00 50.31 O ATOM 262 ND2 ASN A 19 9.147 -8.438 -12.013 1.00 40.35 N ATOM 0 H ASN A 19 6.820 -9.989 -9.411 1.00 11.05 H new ATOM 0 HA ASN A 19 8.075 -8.085 -7.643 1.00 4.31 H new ATOM 0 HB2 ASN A 19 9.452 -7.588 -9.630 1.00 14.32 H new ATOM 0 HB3 ASN A 19 9.400 -9.300 -9.260 1.00 14.32 H new ATOM 0 HD21 ASN A 19 8.880 -8.626 -12.979 1.00 40.35 H new ATOM 0 HD22 ASN A 19 10.048 -8.006 -11.808 1.00 40.35 H new ATOM 269 N VAL A 20 7.412 -5.778 -8.614 1.00 21.33 N ATOM 270 CA VAL A 20 6.718 -4.499 -8.826 1.00 22.10 C ATOM 271 C VAL A 20 6.245 -4.338 -10.282 1.00 52.21 C ATOM 272 O VAL A 20 5.163 -3.810 -10.532 1.00 72.43 O ATOM 273 CB VAL A 20 7.602 -3.289 -8.429 1.00 2.44 C ATOM 274 CG1 VAL A 20 6.849 -1.972 -8.630 1.00 44.01 C ATOM 275 CG2 VAL A 20 8.093 -3.424 -6.987 1.00 12.20 C ATOM 0 H VAL A 20 8.322 -5.694 -8.161 1.00 21.33 H new ATOM 0 HA VAL A 20 5.843 -4.517 -8.176 1.00 22.10 H new ATOM 0 HB VAL A 20 8.474 -3.279 -9.083 1.00 2.44 H new ATOM 0 HG11 VAL A 20 7.491 -1.139 -8.344 1.00 44.01 H new ATOM 0 HG12 VAL A 20 6.567 -1.870 -9.678 1.00 44.01 H new ATOM 0 HG13 VAL A 20 5.952 -1.968 -8.011 1.00 44.01 H new ATOM 0 HG21 VAL A 20 8.711 -2.564 -6.731 1.00 12.20 H new ATOM 0 HG22 VAL A 20 7.237 -3.469 -6.314 1.00 12.20 H new ATOM 0 HG23 VAL A 20 8.681 -4.336 -6.887 1.00 12.20 H new ATOM 285 N THR A 21 7.052 -4.807 -11.238 1.00 50.54 N ATOM 286 CA THR A 21 6.665 -4.800 -12.658 1.00 11.55 C ATOM 287 C THR A 21 5.305 -5.492 -12.879 1.00 40.13 C ATOM 288 O THR A 21 4.396 -4.920 -13.486 1.00 31.55 O ATOM 289 CB THR A 21 7.734 -5.489 -13.544 1.00 64.53 C ATOM 290 OG1 THR A 21 9.008 -4.856 -13.351 1.00 73.42 O ATOM 291 CG2 THR A 21 7.353 -5.430 -15.023 1.00 72.11 C ATOM 0 H THR A 21 7.977 -5.197 -11.058 1.00 50.54 H new ATOM 0 HA THR A 21 6.583 -3.753 -12.949 1.00 11.55 H new ATOM 0 HB THR A 21 7.792 -6.536 -13.248 1.00 64.53 H new ATOM 0 HG1 THR A 21 9.642 -5.185 -14.022 1.00 73.42 H new ATOM 0 HG21 THR A 21 8.123 -5.922 -15.617 1.00 72.11 H new ATOM 0 HG22 THR A 21 6.400 -5.937 -15.174 1.00 72.11 H new ATOM 0 HG23 THR A 21 7.264 -4.389 -15.335 1.00 72.11 H new ATOM 299 N GLU A 22 5.159 -6.715 -12.366 1.00 0.12 N ATOM 300 CA GLU A 22 3.892 -7.449 -12.490 1.00 34.22 C ATOM 301 C GLU A 22 2.793 -6.841 -11.606 1.00 55.34 C ATOM 302 O GLU A 22 1.608 -6.929 -11.929 1.00 40.31 O ATOM 303 CB GLU A 22 4.077 -8.933 -12.150 1.00 45.31 C ATOM 304 CG GLU A 22 4.825 -9.726 -13.217 1.00 50.50 C ATOM 305 CD GLU A 22 4.137 -9.675 -14.576 1.00 61.40 C ATOM 306 OE1 GLU A 22 3.047 -10.272 -14.725 1.00 30.24 O ATOM 307 OE2 GLU A 22 4.677 -9.032 -15.499 1.00 33.20 O ATOM 0 H GLU A 22 5.892 -7.217 -11.865 1.00 0.12 H new ATOM 0 HA GLU A 22 3.577 -7.364 -13.530 1.00 34.22 H new ATOM 0 HB2 GLU A 22 4.617 -9.014 -11.207 1.00 45.31 H new ATOM 0 HB3 GLU A 22 3.097 -9.385 -11.997 1.00 45.31 H new ATOM 0 HG2 GLU A 22 5.838 -9.335 -13.312 1.00 50.50 H new ATOM 0 HG3 GLU A 22 4.913 -10.764 -12.897 1.00 50.50 H new ATOM 314 N LEU A 23 3.189 -6.228 -10.490 1.00 51.33 N ATOM 315 CA LEU A 23 2.243 -5.507 -9.629 1.00 72.55 C ATOM 316 C LEU A 23 1.586 -4.367 -10.428 1.00 44.43 C ATOM 317 O LEU A 23 0.369 -4.183 -10.394 1.00 42.03 O ATOM 318 CB LEU A 23 2.975 -4.978 -8.376 1.00 24.12 C ATOM 319 CG LEU A 23 2.085 -4.450 -7.231 1.00 22.25 C ATOM 320 CD1 LEU A 23 2.861 -4.435 -5.916 1.00 74.14 C ATOM 321 CD2 LEU A 23 1.546 -3.051 -7.539 1.00 51.34 C ATOM 0 H LEU A 23 4.154 -6.214 -10.160 1.00 51.33 H new ATOM 0 HA LEU A 23 1.455 -6.182 -9.294 1.00 72.55 H new ATOM 0 HB2 LEU A 23 3.599 -5.780 -7.981 1.00 24.12 H new ATOM 0 HB3 LEU A 23 3.645 -4.176 -8.685 1.00 24.12 H new ATOM 0 HG LEU A 23 1.235 -5.125 -7.136 1.00 22.25 H new ATOM 0 HD11 LEU A 23 2.219 -4.060 -5.119 1.00 74.14 H new ATOM 0 HD12 LEU A 23 3.187 -5.447 -5.674 1.00 74.14 H new ATOM 0 HD13 LEU A 23 3.732 -3.787 -6.015 1.00 74.14 H new ATOM 0 HD21 LEU A 23 0.924 -2.711 -6.711 1.00 51.34 H new ATOM 0 HD22 LEU A 23 2.379 -2.362 -7.674 1.00 51.34 H new ATOM 0 HD23 LEU A 23 0.951 -3.083 -8.451 1.00 51.34 H new ATOM 333 N LEU A 24 2.406 -3.622 -11.170 1.00 53.21 N ATOM 334 CA LEU A 24 1.908 -2.597 -12.093 1.00 64.24 C ATOM 335 C LEU A 24 1.073 -3.248 -13.210 1.00 32.42 C ATOM 336 O LEU A 24 0.022 -2.740 -13.604 1.00 15.43 O ATOM 337 CB LEU A 24 3.087 -1.818 -12.704 1.00 31.14 C ATOM 338 CG LEU A 24 4.041 -1.157 -11.690 1.00 25.34 C ATOM 339 CD1 LEU A 24 5.195 -0.459 -12.407 1.00 12.13 C ATOM 340 CD2 LEU A 24 3.286 -0.178 -10.796 1.00 70.45 C ATOM 0 H LEU A 24 3.422 -3.709 -11.151 1.00 53.21 H new ATOM 0 HA LEU A 24 1.275 -1.904 -11.538 1.00 64.24 H new ATOM 0 HB2 LEU A 24 3.664 -2.499 -13.330 1.00 31.14 H new ATOM 0 HB3 LEU A 24 2.688 -1.044 -13.359 1.00 31.14 H new ATOM 0 HG LEU A 24 4.460 -1.940 -11.057 1.00 25.34 H new ATOM 0 HD11 LEU A 24 5.856 0.000 -11.672 1.00 12.13 H new ATOM 0 HD12 LEU A 24 5.755 -1.189 -12.992 1.00 12.13 H new ATOM 0 HD13 LEU A 24 4.799 0.310 -13.070 1.00 12.13 H new ATOM 0 HD21 LEU A 24 3.979 0.277 -10.088 1.00 70.45 H new ATOM 0 HD22 LEU A 24 2.832 0.600 -11.410 1.00 70.45 H new ATOM 0 HD23 LEU A 24 2.507 -0.710 -10.250 1.00 70.45 H new ATOM 352 N SER A 25 1.556 -4.387 -13.702 1.00 34.22 N ATOM 353 CA SER A 25 0.859 -5.166 -14.739 1.00 72.21 C ATOM 354 C SER A 25 -0.531 -5.630 -14.274 1.00 64.33 C ATOM 355 O SER A 25 -1.433 -5.822 -15.090 1.00 15.13 O ATOM 356 CB SER A 25 1.704 -6.383 -15.145 1.00 12.23 C ATOM 357 OG SER A 25 1.081 -7.130 -16.183 1.00 24.42 O ATOM 0 H SER A 25 2.438 -4.800 -13.398 1.00 34.22 H new ATOM 0 HA SER A 25 0.721 -4.511 -15.599 1.00 72.21 H new ATOM 0 HB2 SER A 25 2.688 -6.050 -15.476 1.00 12.23 H new ATOM 0 HB3 SER A 25 1.860 -7.024 -14.277 1.00 12.23 H new ATOM 0 HG SER A 25 1.645 -7.896 -16.419 1.00 24.42 H new ATOM 363 N ALA A 26 -0.703 -5.807 -12.963 1.00 24.11 N ATOM 364 CA ALA A 26 -2.009 -6.167 -12.391 1.00 55.13 C ATOM 365 C ALA A 26 -3.072 -5.097 -12.705 1.00 73.12 C ATOM 366 O ALA A 26 -4.211 -5.415 -13.053 1.00 13.14 O ATOM 367 CB ALA A 26 -1.887 -6.376 -10.883 1.00 20.14 C ATOM 0 H ALA A 26 0.043 -5.708 -12.275 1.00 24.11 H new ATOM 0 HA ALA A 26 -2.333 -7.101 -12.850 1.00 55.13 H new ATOM 0 HB1 ALA A 26 -2.861 -6.642 -10.473 1.00 20.14 H new ATOM 0 HB2 ALA A 26 -1.178 -7.179 -10.683 1.00 20.14 H new ATOM 0 HB3 ALA A 26 -1.535 -5.456 -10.416 1.00 20.14 H new ATOM 373 N LEU A 27 -2.685 -3.827 -12.586 1.00 24.00 N ATOM 374 CA LEU A 27 -3.554 -2.704 -12.970 1.00 22.41 C ATOM 375 C LEU A 27 -3.356 -2.354 -14.455 1.00 24.52 C ATOM 376 O LEU A 27 -4.002 -1.450 -14.989 1.00 54.50 O ATOM 377 CB LEU A 27 -3.265 -1.463 -12.101 1.00 72.41 C ATOM 378 CG LEU A 27 -3.603 -1.590 -10.603 1.00 41.40 C ATOM 379 CD1 LEU A 27 -2.664 -2.570 -9.898 1.00 4.34 C ATOM 380 CD2 LEU A 27 -3.557 -0.218 -9.930 1.00 33.14 C ATOM 0 H LEU A 27 -1.773 -3.545 -12.226 1.00 24.00 H new ATOM 0 HA LEU A 27 -4.588 -3.010 -12.810 1.00 22.41 H new ATOM 0 HB2 LEU A 27 -2.207 -1.218 -12.194 1.00 72.41 H new ATOM 0 HB3 LEU A 27 -3.824 -0.621 -12.509 1.00 72.41 H new ATOM 0 HG LEU A 27 -4.615 -1.987 -10.520 1.00 41.40 H new ATOM 0 HD11 LEU A 27 -2.931 -2.635 -8.843 1.00 4.34 H new ATOM 0 HD12 LEU A 27 -2.755 -3.555 -10.357 1.00 4.34 H new ATOM 0 HD13 LEU A 27 -1.636 -2.220 -9.991 1.00 4.34 H new ATOM 0 HD21 LEU A 27 -3.798 -0.323 -8.872 1.00 33.14 H new ATOM 0 HD22 LEU A 27 -2.558 0.205 -10.034 1.00 33.14 H new ATOM 0 HD23 LEU A 27 -4.282 0.444 -10.403 1.00 33.14 H new ATOM 392 N LYS A 28 -2.454 -3.092 -15.103 1.00 62.15 N ATOM 393 CA LYS A 28 -2.065 -2.854 -16.498 1.00 53.00 C ATOM 394 C LYS A 28 -1.525 -1.423 -16.687 1.00 11.42 C ATOM 395 O LYS A 28 -1.934 -0.688 -17.592 1.00 14.45 O ATOM 396 CB LYS A 28 -3.236 -3.144 -17.458 1.00 24.11 C ATOM 397 CG LYS A 28 -2.813 -3.226 -18.925 1.00 62.13 C ATOM 398 CD LYS A 28 -3.957 -3.667 -19.835 1.00 14.32 C ATOM 399 CE LYS A 28 -5.099 -2.658 -19.852 1.00 70.44 C ATOM 400 NZ LYS A 28 -6.193 -3.088 -20.762 1.00 11.52 N ATOM 0 H LYS A 28 -1.968 -3.879 -14.673 1.00 62.15 H new ATOM 0 HA LYS A 28 -1.259 -3.545 -16.743 1.00 53.00 H new ATOM 0 HB2 LYS A 28 -3.707 -4.084 -17.171 1.00 24.11 H new ATOM 0 HB3 LYS A 28 -3.988 -2.363 -17.348 1.00 24.11 H new ATOM 0 HG2 LYS A 28 -2.448 -2.252 -19.250 1.00 62.13 H new ATOM 0 HG3 LYS A 28 -1.983 -3.926 -19.023 1.00 62.13 H new ATOM 0 HD2 LYS A 28 -3.581 -3.805 -20.849 1.00 14.32 H new ATOM 0 HD3 LYS A 28 -4.333 -4.634 -19.501 1.00 14.32 H new ATOM 0 HE2 LYS A 28 -5.492 -2.534 -18.843 1.00 70.44 H new ATOM 0 HE3 LYS A 28 -4.722 -1.686 -20.169 1.00 70.44 H new ATOM 0 HZ1 LYS A 28 -6.954 -2.379 -20.750 1.00 11.52 H new ATOM 0 HZ2 LYS A 28 -5.823 -3.182 -21.729 1.00 11.52 H new ATOM 0 HZ3 LYS A 28 -6.569 -4.004 -20.444 1.00 11.52 H new ATOM 414 N VAL A 29 -0.605 -1.030 -15.811 1.00 41.03 N ATOM 415 CA VAL A 29 0.062 0.266 -15.922 1.00 11.11 C ATOM 416 C VAL A 29 1.210 0.188 -16.940 1.00 3.25 C ATOM 417 O VAL A 29 2.350 -0.123 -16.592 1.00 0.42 O ATOM 418 CB VAL A 29 0.605 0.753 -14.551 1.00 32.03 C ATOM 419 CG1 VAL A 29 1.258 2.132 -14.673 1.00 43.35 C ATOM 420 CG2 VAL A 29 -0.510 0.767 -13.507 1.00 52.40 C ATOM 0 H VAL A 29 -0.303 -1.591 -15.014 1.00 41.03 H new ATOM 0 HA VAL A 29 -0.679 0.988 -16.265 1.00 11.11 H new ATOM 0 HB VAL A 29 1.372 0.052 -14.223 1.00 32.03 H new ATOM 0 HG11 VAL A 29 1.629 2.447 -13.697 1.00 43.35 H new ATOM 0 HG12 VAL A 29 2.088 2.080 -15.377 1.00 43.35 H new ATOM 0 HG13 VAL A 29 0.523 2.852 -15.031 1.00 43.35 H new ATOM 0 HG21 VAL A 29 -0.111 1.111 -12.553 1.00 52.40 H new ATOM 0 HG22 VAL A 29 -1.304 1.439 -13.832 1.00 52.40 H new ATOM 0 HG23 VAL A 29 -0.912 -0.239 -13.390 1.00 52.40 H new ATOM 430 N ALA A 30 0.882 0.442 -18.205 1.00 21.13 N ATOM 431 CA ALA A 30 1.862 0.397 -19.300 1.00 53.52 C ATOM 432 C ALA A 30 3.085 1.286 -19.027 1.00 11.30 C ATOM 433 O ALA A 30 4.187 1.010 -19.498 1.00 30.51 O ATOM 434 CB ALA A 30 1.197 0.816 -20.605 1.00 15.34 C ATOM 0 H ALA A 30 -0.063 0.684 -18.504 1.00 21.13 H new ATOM 0 HA ALA A 30 2.219 -0.630 -19.377 1.00 53.52 H new ATOM 0 HB1 ALA A 30 1.927 0.781 -21.413 1.00 15.34 H new ATOM 0 HB2 ALA A 30 0.375 0.136 -20.829 1.00 15.34 H new ATOM 0 HB3 ALA A 30 0.812 1.831 -20.508 1.00 15.34 H new ATOM 440 N GLN A 31 2.883 2.339 -18.247 1.00 22.34 N ATOM 441 CA GLN A 31 3.938 3.313 -17.963 1.00 5.03 C ATOM 442 C GLN A 31 4.850 2.857 -16.805 1.00 44.03 C ATOM 443 O GLN A 31 5.200 3.653 -15.930 1.00 53.05 O ATOM 444 CB GLN A 31 3.292 4.666 -17.636 1.00 2.45 C ATOM 445 CG GLN A 31 2.335 5.173 -18.718 1.00 4.41 C ATOM 446 CD GLN A 31 2.999 5.316 -20.080 1.00 74.51 C ATOM 447 OE1 GLN A 31 2.999 4.392 -20.890 1.00 53.11 O ATOM 448 NE2 GLN A 31 3.576 6.471 -20.340 1.00 4.42 N ATOM 0 H GLN A 31 1.992 2.545 -17.795 1.00 22.34 H new ATOM 0 HA GLN A 31 4.570 3.404 -18.846 1.00 5.03 H new ATOM 0 HB2 GLN A 31 2.749 4.580 -16.695 1.00 2.45 H new ATOM 0 HB3 GLN A 31 4.078 5.406 -17.484 1.00 2.45 H new ATOM 0 HG2 GLN A 31 1.493 4.486 -18.801 1.00 4.41 H new ATOM 0 HG3 GLN A 31 1.930 6.138 -18.414 1.00 4.41 H new ATOM 0 HE21 GLN A 31 3.558 7.218 -19.646 1.00 4.42 H new ATOM 0 HE22 GLN A 31 4.041 6.619 -21.236 1.00 4.42 H new ATOM 457 N ALA A 32 5.269 1.589 -16.834 1.00 72.12 N ATOM 458 CA ALA A 32 6.131 1.015 -15.786 1.00 35.11 C ATOM 459 C ALA A 32 7.460 1.781 -15.631 1.00 14.24 C ATOM 460 O ALA A 32 7.962 1.952 -14.523 1.00 24.33 O ATOM 461 CB ALA A 32 6.405 -0.457 -16.087 1.00 24.22 C ATOM 0 H ALA A 32 5.025 0.933 -17.576 1.00 72.12 H new ATOM 0 HA ALA A 32 5.597 1.106 -14.840 1.00 35.11 H new ATOM 0 HB1 ALA A 32 7.043 -0.875 -15.308 1.00 24.22 H new ATOM 0 HB2 ALA A 32 5.463 -1.004 -16.117 1.00 24.22 H new ATOM 0 HB3 ALA A 32 6.905 -0.544 -17.051 1.00 24.22 H new ATOM 467 N GLU A 33 8.017 2.245 -16.750 1.00 70.04 N ATOM 468 CA GLU A 33 9.286 2.991 -16.741 1.00 73.13 C ATOM 469 C GLU A 33 9.080 4.449 -16.281 1.00 75.20 C ATOM 470 O GLU A 33 10.037 5.196 -16.073 1.00 63.24 O ATOM 471 CB GLU A 33 9.902 2.966 -18.149 1.00 61.11 C ATOM 472 CG GLU A 33 11.336 3.491 -18.231 1.00 62.41 C ATOM 473 CD GLU A 33 12.355 2.552 -17.601 1.00 13.04 C ATOM 474 OE1 GLU A 33 12.361 1.351 -17.950 1.00 13.33 O ATOM 475 OE2 GLU A 33 13.181 3.010 -16.790 1.00 12.21 O ATOM 0 H GLU A 33 7.612 2.120 -17.678 1.00 70.04 H new ATOM 0 HA GLU A 33 9.961 2.512 -16.032 1.00 73.13 H new ATOM 0 HB2 GLU A 33 9.883 1.941 -18.520 1.00 61.11 H new ATOM 0 HB3 GLU A 33 9.275 3.558 -18.815 1.00 61.11 H new ATOM 0 HG2 GLU A 33 11.598 3.652 -19.277 1.00 62.41 H new ATOM 0 HG3 GLU A 33 11.390 4.461 -17.736 1.00 62.41 H new ATOM 482 N TYR A 34 7.819 4.845 -16.125 1.00 22.04 N ATOM 483 CA TYR A 34 7.467 6.226 -15.764 1.00 32.52 C ATOM 484 C TYR A 34 7.048 6.332 -14.290 1.00 23.03 C ATOM 485 O TYR A 34 7.555 7.175 -13.545 1.00 74.22 O ATOM 486 CB TYR A 34 6.315 6.722 -16.654 1.00 24.24 C ATOM 487 CG TYR A 34 6.580 6.617 -18.150 1.00 23.32 C ATOM 488 CD1 TYR A 34 6.677 5.376 -18.774 1.00 30.03 C ATOM 489 CD2 TYR A 34 6.717 7.754 -18.940 1.00 71.13 C ATOM 490 CE1 TYR A 34 6.899 5.273 -20.131 1.00 72.10 C ATOM 491 CE2 TYR A 34 6.940 7.655 -20.300 1.00 31.31 C ATOM 492 CZ TYR A 34 7.032 6.412 -20.889 1.00 32.21 C ATOM 493 OH TYR A 34 7.256 6.309 -22.242 1.00 14.24 O ATOM 0 H TYR A 34 7.015 4.228 -16.243 1.00 22.04 H new ATOM 0 HA TYR A 34 8.351 6.845 -15.917 1.00 32.52 H new ATOM 0 HB2 TYR A 34 5.418 6.151 -16.416 1.00 24.24 H new ATOM 0 HB3 TYR A 34 6.105 7.763 -16.408 1.00 24.24 H new ATOM 0 HD1 TYR A 34 6.576 4.477 -18.184 1.00 30.03 H new ATOM 0 HD2 TYR A 34 6.648 8.730 -18.483 1.00 71.13 H new ATOM 0 HE1 TYR A 34 6.968 4.301 -20.597 1.00 72.10 H new ATOM 0 HE2 TYR A 34 7.042 8.548 -20.899 1.00 31.31 H new ATOM 0 HH TYR A 34 7.325 7.206 -22.631 1.00 14.24 H new ATOM 503 N VAL A 35 6.125 5.467 -13.879 1.00 42.44 N ATOM 504 CA VAL A 35 5.564 5.506 -12.524 1.00 5.23 C ATOM 505 C VAL A 35 6.583 5.066 -11.456 1.00 40.44 C ATOM 506 O VAL A 35 7.311 4.093 -11.634 1.00 15.22 O ATOM 507 CB VAL A 35 4.288 4.628 -12.418 1.00 45.42 C ATOM 508 CG1 VAL A 35 4.586 3.172 -12.777 1.00 51.25 C ATOM 509 CG2 VAL A 35 3.668 4.724 -11.021 1.00 61.40 C ATOM 0 H VAL A 35 5.745 4.725 -14.466 1.00 42.44 H new ATOM 0 HA VAL A 35 5.301 6.546 -12.332 1.00 5.23 H new ATOM 0 HB VAL A 35 3.565 5.011 -13.138 1.00 45.42 H new ATOM 0 HG11 VAL A 35 3.673 2.582 -12.693 1.00 51.25 H new ATOM 0 HG12 VAL A 35 4.960 3.119 -13.799 1.00 51.25 H new ATOM 0 HG13 VAL A 35 5.338 2.776 -12.094 1.00 51.25 H new ATOM 0 HG21 VAL A 35 2.776 4.099 -10.975 1.00 61.40 H new ATOM 0 HG22 VAL A 35 4.389 4.382 -10.279 1.00 61.40 H new ATOM 0 HG23 VAL A 35 3.397 5.759 -10.814 1.00 61.40 H new ATOM 519 N THR A 36 6.623 5.801 -10.346 1.00 34.33 N ATOM 520 CA THR A 36 7.499 5.465 -9.217 1.00 31.04 C ATOM 521 C THR A 36 6.680 5.023 -7.996 1.00 44.11 C ATOM 522 O THR A 36 5.625 5.588 -7.708 1.00 23.11 O ATOM 523 CB THR A 36 8.387 6.667 -8.802 1.00 73.04 C ATOM 524 OG1 THR A 36 9.133 7.157 -9.929 1.00 12.43 O ATOM 525 CG2 THR A 36 9.357 6.278 -7.688 1.00 34.25 C ATOM 0 H THR A 36 6.058 6.637 -10.201 1.00 34.33 H new ATOM 0 HA THR A 36 8.136 4.647 -9.553 1.00 31.04 H new ATOM 0 HB THR A 36 7.725 7.451 -8.435 1.00 73.04 H new ATOM 0 HG1 THR A 36 9.686 7.916 -9.650 1.00 12.43 H new ATOM 0 HG21 THR A 36 9.966 7.141 -7.418 1.00 34.25 H new ATOM 0 HG22 THR A 36 8.795 5.944 -6.816 1.00 34.25 H new ATOM 0 HG23 THR A 36 10.003 5.471 -8.034 1.00 34.25 H new ATOM 533 N VAL A 37 7.168 4.008 -7.284 1.00 64.52 N ATOM 534 CA VAL A 37 6.530 3.540 -6.045 1.00 64.00 C ATOM 535 C VAL A 37 7.574 3.333 -4.937 1.00 54.44 C ATOM 536 O VAL A 37 8.740 3.043 -5.217 1.00 44.54 O ATOM 537 CB VAL A 37 5.755 2.210 -6.263 1.00 71.22 C ATOM 538 CG1 VAL A 37 4.675 2.372 -7.334 1.00 65.01 C ATOM 539 CG2 VAL A 37 6.711 1.072 -6.622 1.00 15.23 C ATOM 0 H VAL A 37 8.007 3.489 -7.542 1.00 64.52 H new ATOM 0 HA VAL A 37 5.823 4.313 -5.744 1.00 64.00 H new ATOM 0 HB VAL A 37 5.262 1.954 -5.325 1.00 71.22 H new ATOM 0 HG11 VAL A 37 4.149 1.427 -7.466 1.00 65.01 H new ATOM 0 HG12 VAL A 37 3.967 3.141 -7.024 1.00 65.01 H new ATOM 0 HG13 VAL A 37 5.138 2.664 -8.276 1.00 65.01 H new ATOM 0 HG21 VAL A 37 6.144 0.153 -6.769 1.00 15.23 H new ATOM 0 HG22 VAL A 37 7.244 1.320 -7.540 1.00 15.23 H new ATOM 0 HG23 VAL A 37 7.428 0.930 -5.813 1.00 15.23 H new ATOM 549 N GLU A 38 7.164 3.488 -3.679 1.00 40.22 N ATOM 550 CA GLU A 38 8.074 3.253 -2.550 1.00 24.11 C ATOM 551 C GLU A 38 7.575 2.116 -1.640 1.00 31.30 C ATOM 552 O GLU A 38 6.439 2.119 -1.164 1.00 65.44 O ATOM 553 CB GLU A 38 8.315 4.546 -1.750 1.00 14.25 C ATOM 554 CG GLU A 38 7.067 5.203 -1.178 1.00 23.33 C ATOM 555 CD GLU A 38 7.379 6.531 -0.502 1.00 44.22 C ATOM 556 OE1 GLU A 38 7.559 7.540 -1.215 1.00 62.25 O ATOM 557 OE2 GLU A 38 7.482 6.569 0.744 1.00 25.22 O ATOM 0 H GLU A 38 6.221 3.771 -3.414 1.00 40.22 H new ATOM 0 HA GLU A 38 9.030 2.936 -2.966 1.00 24.11 H new ATOM 0 HB2 GLU A 38 8.996 4.323 -0.929 1.00 14.25 H new ATOM 0 HB3 GLU A 38 8.819 5.264 -2.397 1.00 14.25 H new ATOM 0 HG2 GLU A 38 6.344 5.364 -1.977 1.00 23.33 H new ATOM 0 HG3 GLU A 38 6.601 4.530 -0.458 1.00 23.33 H new ATOM 564 N LEU A 39 8.447 1.136 -1.414 1.00 53.30 N ATOM 565 CA LEU A 39 8.114 -0.066 -0.644 1.00 3.13 C ATOM 566 C LEU A 39 8.501 0.126 0.837 1.00 1.42 C ATOM 567 O LEU A 39 9.662 0.380 1.154 1.00 51.21 O ATOM 568 CB LEU A 39 8.852 -1.269 -1.272 1.00 65.20 C ATOM 569 CG LEU A 39 8.372 -2.680 -0.877 1.00 14.33 C ATOM 570 CD1 LEU A 39 8.810 -3.048 0.535 1.00 34.43 C ATOM 571 CD2 LEU A 39 6.856 -2.801 -1.021 1.00 31.24 C ATOM 0 H LEU A 39 9.407 1.151 -1.759 1.00 53.30 H new ATOM 0 HA LEU A 39 7.040 -0.252 -0.676 1.00 3.13 H new ATOM 0 HB2 LEU A 39 8.780 -1.180 -2.356 1.00 65.20 H new ATOM 0 HB3 LEU A 39 9.908 -1.188 -1.015 1.00 65.20 H new ATOM 0 HG LEU A 39 8.840 -3.387 -1.562 1.00 14.33 H new ATOM 0 HD11 LEU A 39 8.453 -4.049 0.777 1.00 34.43 H new ATOM 0 HD12 LEU A 39 9.898 -3.026 0.596 1.00 34.43 H new ATOM 0 HD13 LEU A 39 8.393 -2.333 1.244 1.00 34.43 H new ATOM 0 HD21 LEU A 39 6.543 -3.805 -0.736 1.00 31.24 H new ATOM 0 HD22 LEU A 39 6.370 -2.072 -0.373 1.00 31.24 H new ATOM 0 HD23 LEU A 39 6.573 -2.612 -2.056 1.00 31.24 H new ATOM 583 N ASN A 40 7.515 0.023 1.734 1.00 52.21 N ATOM 584 CA ASN A 40 7.718 0.273 3.176 1.00 62.30 C ATOM 585 C ASN A 40 8.292 1.683 3.438 1.00 31.22 C ATOM 586 O ASN A 40 8.941 1.925 4.459 1.00 12.01 O ATOM 587 CB ASN A 40 8.636 -0.796 3.798 1.00 52.01 C ATOM 588 CG ASN A 40 8.062 -2.203 3.713 1.00 23.12 C ATOM 589 OD1 ASN A 40 6.747 -2.331 3.763 1.00 60.03 O flip ATOM 590 ND2 ASN A 40 8.798 -3.182 3.623 1.00 63.02 N flip ATOM 0 H ASN A 40 6.558 -0.234 1.490 1.00 52.21 H new ATOM 0 HA ASN A 40 6.739 0.215 3.651 1.00 62.30 H new ATOM 0 HB2 ASN A 40 9.602 -0.774 3.294 1.00 52.01 H new ATOM 0 HB3 ASN A 40 8.816 -0.547 4.844 1.00 52.01 H new ATOM 0 HD21 ASN A 40 9.810 -3.058 3.586 1.00 63.02 H new ATOM 0 HD22 ASN A 40 8.398 -4.119 3.585 1.00 63.02 H new ATOM 597 N GLY A 41 8.022 2.616 2.523 1.00 22.54 N ATOM 598 CA GLY A 41 8.547 3.974 2.652 1.00 34.21 C ATOM 599 C GLY A 41 9.944 4.139 2.056 1.00 45.14 C ATOM 600 O GLY A 41 10.615 5.142 2.299 1.00 44.41 O ATOM 0 H GLY A 41 7.449 2.458 1.694 1.00 22.54 H new ATOM 0 HA2 GLY A 41 7.865 4.668 2.161 1.00 34.21 H new ATOM 0 HA3 GLY A 41 8.575 4.247 3.707 1.00 34.21 H new ATOM 604 N GLU A 42 10.381 3.148 1.284 1.00 2.51 N ATOM 605 CA GLU A 42 11.690 3.182 0.614 1.00 72.11 C ATOM 606 C GLU A 42 11.511 3.271 -0.908 1.00 34.43 C ATOM 607 O GLU A 42 10.832 2.439 -1.503 1.00 30.14 O ATOM 608 CB GLU A 42 12.496 1.924 0.980 1.00 62.31 C ATOM 609 CG GLU A 42 13.775 1.740 0.168 1.00 55.05 C ATOM 610 CD GLU A 42 14.545 0.483 0.549 1.00 40.24 C ATOM 611 OE1 GLU A 42 14.001 -0.628 0.372 1.00 13.24 O ATOM 612 OE2 GLU A 42 15.694 0.599 1.030 1.00 55.22 O ATOM 0 H GLU A 42 9.845 2.300 1.102 1.00 2.51 H new ATOM 0 HA GLU A 42 12.234 4.065 0.950 1.00 72.11 H new ATOM 0 HB2 GLU A 42 12.754 1.967 2.038 1.00 62.31 H new ATOM 0 HB3 GLU A 42 11.863 1.048 0.842 1.00 62.31 H new ATOM 0 HG2 GLU A 42 13.523 1.698 -0.892 1.00 55.05 H new ATOM 0 HG3 GLU A 42 14.417 2.610 0.309 1.00 55.05 H new ATOM 619 N VAL A 43 12.116 4.278 -1.534 1.00 24.43 N ATOM 620 CA VAL A 43 11.940 4.501 -2.974 1.00 71.31 C ATOM 621 C VAL A 43 12.790 3.530 -3.815 1.00 61.42 C ATOM 622 O VAL A 43 13.997 3.386 -3.600 1.00 64.20 O ATOM 623 CB VAL A 43 12.269 5.967 -3.368 1.00 73.34 C ATOM 624 CG1 VAL A 43 13.712 6.331 -3.024 1.00 55.13 C ATOM 625 CG2 VAL A 43 11.986 6.211 -4.850 1.00 52.04 C ATOM 0 H VAL A 43 12.729 4.951 -1.074 1.00 24.43 H new ATOM 0 HA VAL A 43 10.889 4.309 -3.190 1.00 71.31 H new ATOM 0 HB VAL A 43 11.617 6.617 -2.784 1.00 73.34 H new ATOM 0 HG11 VAL A 43 13.906 7.364 -3.314 1.00 55.13 H new ATOM 0 HG12 VAL A 43 13.869 6.220 -1.951 1.00 55.13 H new ATOM 0 HG13 VAL A 43 14.392 5.670 -3.561 1.00 55.13 H new ATOM 0 HG21 VAL A 43 12.224 7.245 -5.101 1.00 52.04 H new ATOM 0 HG22 VAL A 43 12.599 5.541 -5.453 1.00 52.04 H new ATOM 0 HG23 VAL A 43 10.932 6.022 -5.055 1.00 52.04 H new ATOM 635 N LEU A 44 12.149 2.853 -4.768 1.00 52.43 N ATOM 636 CA LEU A 44 12.854 1.936 -5.671 1.00 64.32 C ATOM 637 C LEU A 44 13.125 2.595 -7.029 1.00 21.10 C ATOM 638 O LEU A 44 12.278 3.315 -7.560 1.00 13.31 O ATOM 639 CB LEU A 44 12.052 0.638 -5.891 1.00 52.32 C ATOM 640 CG LEU A 44 11.954 -0.316 -4.684 1.00 31.30 C ATOM 641 CD1 LEU A 44 13.342 -0.661 -4.143 1.00 34.34 C ATOM 642 CD2 LEU A 44 11.072 0.270 -3.586 1.00 54.52 C ATOM 0 H LEU A 44 11.145 2.920 -4.936 1.00 52.43 H new ATOM 0 HA LEU A 44 13.804 1.691 -5.195 1.00 64.32 H new ATOM 0 HB2 LEU A 44 11.041 0.908 -6.197 1.00 52.32 H new ATOM 0 HB3 LEU A 44 12.502 0.094 -6.722 1.00 52.32 H new ATOM 0 HG LEU A 44 11.487 -1.239 -5.029 1.00 31.30 H new ATOM 0 HD11 LEU A 44 13.244 -1.335 -3.292 1.00 34.34 H new ATOM 0 HD12 LEU A 44 13.927 -1.146 -4.925 1.00 34.34 H new ATOM 0 HD13 LEU A 44 13.846 0.252 -3.826 1.00 34.34 H new ATOM 0 HD21 LEU A 44 11.023 -0.426 -2.749 1.00 54.52 H new ATOM 0 HD22 LEU A 44 11.494 1.216 -3.247 1.00 54.52 H new ATOM 0 HD23 LEU A 44 10.069 0.439 -3.977 1.00 54.52 H new ATOM 654 N GLU A 45 14.310 2.345 -7.581 1.00 30.20 N ATOM 655 CA GLU A 45 14.654 2.817 -8.924 1.00 43.03 C ATOM 656 C GLU A 45 13.833 2.075 -9.989 1.00 0.14 C ATOM 657 O GLU A 45 13.308 0.987 -9.736 1.00 51.12 O ATOM 658 CB GLU A 45 16.158 2.625 -9.198 1.00 3.35 C ATOM 659 CG GLU A 45 17.076 3.559 -8.409 1.00 45.11 C ATOM 660 CD GLU A 45 17.003 3.360 -6.902 1.00 53.05 C ATOM 661 OE1 GLU A 45 16.911 2.197 -6.454 1.00 12.34 O ATOM 662 OE2 GLU A 45 17.062 4.361 -6.159 1.00 24.22 O ATOM 0 H GLU A 45 15.051 1.817 -7.119 1.00 30.20 H new ATOM 0 HA GLU A 45 14.418 3.880 -8.976 1.00 43.03 H new ATOM 0 HB2 GLU A 45 16.427 1.594 -8.968 1.00 3.35 H new ATOM 0 HB3 GLU A 45 16.341 2.772 -10.262 1.00 3.35 H new ATOM 0 HG2 GLU A 45 18.104 3.406 -8.737 1.00 45.11 H new ATOM 0 HG3 GLU A 45 16.817 4.592 -8.643 1.00 45.11 H new ATOM 669 N ARG A 46 13.746 2.656 -11.185 1.00 24.21 N ATOM 670 CA ARG A 46 12.969 2.068 -12.286 1.00 54.15 C ATOM 671 C ARG A 46 13.409 0.622 -12.586 1.00 30.05 C ATOM 672 O ARG A 46 12.589 -0.235 -12.920 1.00 11.33 O ATOM 673 CB ARG A 46 13.106 2.936 -13.543 1.00 71.34 C ATOM 674 CG ARG A 46 12.610 4.371 -13.364 1.00 61.00 C ATOM 675 CD ARG A 46 12.875 5.215 -14.606 1.00 34.02 C ATOM 676 NE ARG A 46 12.428 6.599 -14.454 1.00 21.15 N ATOM 677 CZ ARG A 46 12.991 7.612 -15.053 1.00 32.43 C ATOM 678 NH1 ARG A 46 14.052 7.438 -15.783 1.00 34.21 N ATOM 679 NH2 ARG A 46 12.508 8.803 -14.900 1.00 42.24 N ATOM 0 H ARG A 46 14.204 3.536 -11.421 1.00 24.21 H new ATOM 0 HA ARG A 46 11.924 2.036 -11.979 1.00 54.15 H new ATOM 0 HB2 ARG A 46 14.153 2.959 -13.844 1.00 71.34 H new ATOM 0 HB3 ARG A 46 12.551 2.469 -14.357 1.00 71.34 H new ATOM 0 HG2 ARG A 46 11.541 4.363 -13.150 1.00 61.00 H new ATOM 0 HG3 ARG A 46 13.104 4.823 -12.504 1.00 61.00 H new ATOM 0 HD2 ARG A 46 13.942 5.204 -14.826 1.00 34.02 H new ATOM 0 HD3 ARG A 46 12.369 4.766 -15.460 1.00 34.02 H new ATOM 0 HE ARG A 46 11.631 6.783 -13.845 1.00 21.15 H new ATOM 0 HH11 ARG A 46 14.450 6.505 -15.890 1.00 34.21 H new ATOM 0 HH12 ARG A 46 14.487 8.235 -16.249 1.00 34.21 H new ATOM 0 HH21 ARG A 46 11.688 8.949 -14.311 1.00 42.24 H new ATOM 0 HH22 ARG A 46 12.948 9.596 -15.368 1.00 42.24 H new ATOM 693 N GLU A 47 14.709 0.363 -12.461 1.00 41.22 N ATOM 694 CA GLU A 47 15.256 -0.992 -12.625 1.00 52.34 C ATOM 695 C GLU A 47 14.817 -1.919 -11.475 1.00 62.44 C ATOM 696 O GLU A 47 14.503 -3.092 -11.684 1.00 24.12 O ATOM 697 CB GLU A 47 16.790 -0.935 -12.671 1.00 53.53 C ATOM 698 CG GLU A 47 17.355 -0.107 -13.819 1.00 11.03 C ATOM 699 CD GLU A 47 18.860 0.088 -13.710 1.00 1.33 C ATOM 700 OE1 GLU A 47 19.602 -0.915 -13.773 1.00 61.03 O ATOM 701 OE2 GLU A 47 19.310 1.242 -13.549 1.00 13.03 O ATOM 0 H GLU A 47 15.409 1.073 -12.246 1.00 41.22 H new ATOM 0 HA GLU A 47 14.869 -1.396 -13.561 1.00 52.34 H new ATOM 0 HB2 GLU A 47 17.155 -0.525 -11.729 1.00 53.53 H new ATOM 0 HB3 GLU A 47 17.177 -1.951 -12.747 1.00 53.53 H new ATOM 0 HG2 GLU A 47 17.123 -0.597 -14.765 1.00 11.03 H new ATOM 0 HG3 GLU A 47 16.866 0.867 -13.836 1.00 11.03 H new ATOM 708 N ALA A 48 14.790 -1.371 -10.261 1.00 52.43 N ATOM 709 CA ALA A 48 14.476 -2.146 -9.054 1.00 52.10 C ATOM 710 C ALA A 48 13.038 -2.689 -9.060 1.00 3.24 C ATOM 711 O ALA A 48 12.714 -3.601 -8.298 1.00 24.11 O ATOM 712 CB ALA A 48 14.718 -1.297 -7.810 1.00 35.03 C ATOM 0 H ALA A 48 14.983 -0.385 -10.083 1.00 52.43 H new ATOM 0 HA ALA A 48 15.141 -3.010 -9.042 1.00 52.10 H new ATOM 0 HB1 ALA A 48 14.482 -1.880 -6.920 1.00 35.03 H new ATOM 0 HB2 ALA A 48 15.763 -0.990 -7.777 1.00 35.03 H new ATOM 0 HB3 ALA A 48 14.081 -0.413 -7.843 1.00 35.03 H new ATOM 718 N PHE A 49 12.180 -2.129 -9.912 1.00 61.43 N ATOM 719 CA PHE A 49 10.792 -2.597 -10.028 1.00 51.44 C ATOM 720 C PHE A 49 10.722 -4.050 -10.528 1.00 15.02 C ATOM 721 O PHE A 49 9.836 -4.815 -10.136 1.00 41.23 O ATOM 722 CB PHE A 49 9.987 -1.688 -10.971 1.00 72.10 C ATOM 723 CG PHE A 49 9.862 -0.257 -10.504 1.00 23.44 C ATOM 724 CD1 PHE A 49 9.892 0.059 -9.151 1.00 1.32 C ATOM 725 CD2 PHE A 49 9.714 0.774 -11.422 1.00 61.43 C ATOM 726 CE1 PHE A 49 9.775 1.369 -8.726 1.00 73.41 C ATOM 727 CE2 PHE A 49 9.597 2.085 -11.000 1.00 15.43 C ATOM 728 CZ PHE A 49 9.630 2.383 -9.652 1.00 73.02 C ATOM 0 H PHE A 49 12.416 -1.354 -10.531 1.00 61.43 H new ATOM 0 HA PHE A 49 10.356 -2.557 -9.030 1.00 51.44 H new ATOM 0 HB2 PHE A 49 10.458 -1.697 -11.954 1.00 72.10 H new ATOM 0 HB3 PHE A 49 8.988 -2.106 -11.093 1.00 72.10 H new ATOM 0 HD1 PHE A 49 10.008 -0.729 -8.422 1.00 1.32 H new ATOM 0 HD2 PHE A 49 9.690 0.549 -12.478 1.00 61.43 H new ATOM 0 HE1 PHE A 49 9.797 1.599 -7.671 1.00 73.41 H new ATOM 0 HE2 PHE A 49 9.480 2.877 -11.725 1.00 15.43 H new ATOM 0 HZ PHE A 49 9.543 3.408 -9.322 1.00 73.02 H new ATOM 738 N ASP A 50 11.667 -4.426 -11.385 1.00 41.13 N ATOM 739 CA ASP A 50 11.704 -5.772 -11.955 1.00 14.32 C ATOM 740 C ASP A 50 12.222 -6.806 -10.930 1.00 42.22 C ATOM 741 O ASP A 50 11.799 -7.964 -10.932 1.00 23.23 O ATOM 742 CB ASP A 50 12.585 -5.767 -13.211 1.00 62.41 C ATOM 743 CG ASP A 50 12.480 -7.060 -13.996 1.00 32.24 C ATOM 744 OD1 ASP A 50 11.570 -7.173 -14.847 1.00 71.30 O ATOM 745 OD2 ASP A 50 13.300 -7.975 -13.763 1.00 34.44 O ATOM 0 H ASP A 50 12.421 -3.816 -11.702 1.00 41.13 H new ATOM 0 HA ASP A 50 10.689 -6.064 -12.224 1.00 14.32 H new ATOM 0 HB2 ASP A 50 12.297 -4.933 -13.850 1.00 62.41 H new ATOM 0 HB3 ASP A 50 13.623 -5.604 -12.922 1.00 62.41 H new ATOM 750 N ALA A 51 13.122 -6.372 -10.050 1.00 14.42 N ATOM 751 CA ALA A 51 13.731 -7.261 -9.051 1.00 54.45 C ATOM 752 C ALA A 51 12.870 -7.390 -7.780 1.00 4.41 C ATOM 753 O ALA A 51 12.573 -8.500 -7.329 1.00 44.51 O ATOM 754 CB ALA A 51 15.130 -6.762 -8.699 1.00 12.33 C ATOM 0 H ALA A 51 13.450 -5.407 -10.005 1.00 14.42 H new ATOM 0 HA ALA A 51 13.798 -8.256 -9.492 1.00 54.45 H new ATOM 0 HB1 ALA A 51 15.577 -7.425 -7.958 1.00 12.33 H new ATOM 0 HB2 ALA A 51 15.749 -6.751 -9.596 1.00 12.33 H new ATOM 0 HB3 ALA A 51 15.065 -5.753 -8.291 1.00 12.33 H new ATOM 760 N THR A 52 12.470 -6.250 -7.212 1.00 5.22 N ATOM 761 CA THR A 52 11.712 -6.215 -5.946 1.00 33.05 C ATOM 762 C THR A 52 10.403 -7.017 -6.026 1.00 25.31 C ATOM 763 O THR A 52 9.498 -6.665 -6.786 1.00 23.44 O ATOM 764 CB THR A 52 11.365 -4.760 -5.537 1.00 44.52 C ATOM 765 OG1 THR A 52 12.557 -3.965 -5.474 1.00 34.11 O ATOM 766 CG2 THR A 52 10.657 -4.720 -4.183 1.00 21.40 C ATOM 0 H THR A 52 12.657 -5.329 -7.608 1.00 5.22 H new ATOM 0 HA THR A 52 12.362 -6.670 -5.198 1.00 33.05 H new ATOM 0 HB THR A 52 10.693 -4.354 -6.293 1.00 44.52 H new ATOM 0 HG1 THR A 52 12.843 -3.731 -6.382 1.00 34.11 H new ATOM 0 HG21 THR A 52 10.427 -3.687 -3.923 1.00 21.40 H new ATOM 0 HG22 THR A 52 9.733 -5.295 -4.239 1.00 21.40 H new ATOM 0 HG23 THR A 52 11.306 -5.150 -3.420 1.00 21.40 H new ATOM 774 N THR A 53 10.308 -8.085 -5.232 1.00 62.15 N ATOM 775 CA THR A 53 9.087 -8.905 -5.163 1.00 54.53 C ATOM 776 C THR A 53 8.233 -8.539 -3.939 1.00 25.23 C ATOM 777 O THR A 53 8.680 -8.651 -2.795 1.00 0.55 O ATOM 778 CB THR A 53 9.408 -10.423 -5.121 1.00 44.31 C ATOM 779 OG1 THR A 53 10.232 -10.736 -3.984 1.00 11.41 O ATOM 780 CG2 THR A 53 10.111 -10.872 -6.399 1.00 34.30 C ATOM 0 H THR A 53 11.062 -8.407 -4.625 1.00 62.15 H new ATOM 0 HA THR A 53 8.525 -8.691 -6.072 1.00 54.53 H new ATOM 0 HB THR A 53 8.461 -10.957 -5.036 1.00 44.31 H new ATOM 0 HG1 THR A 53 9.937 -10.211 -3.211 1.00 11.41 H new ATOM 0 HG21 THR A 53 10.324 -11.940 -6.341 1.00 34.30 H new ATOM 0 HG22 THR A 53 9.467 -10.676 -7.256 1.00 34.30 H new ATOM 0 HG23 THR A 53 11.045 -10.322 -6.513 1.00 34.30 H new ATOM 788 N VAL A 54 7.002 -8.100 -4.192 1.00 42.34 N ATOM 789 CA VAL A 54 6.072 -7.701 -3.129 1.00 44.30 C ATOM 790 C VAL A 54 5.121 -8.855 -2.763 1.00 60.25 C ATOM 791 O VAL A 54 4.655 -9.591 -3.641 1.00 25.43 O ATOM 792 CB VAL A 54 5.245 -6.462 -3.562 1.00 41.24 C ATOM 793 CG1 VAL A 54 4.360 -5.958 -2.424 1.00 42.40 C ATOM 794 CG2 VAL A 54 6.166 -5.347 -4.063 1.00 24.42 C ATOM 0 H VAL A 54 6.619 -8.010 -5.133 1.00 42.34 H new ATOM 0 HA VAL A 54 6.665 -7.446 -2.251 1.00 44.30 H new ATOM 0 HB VAL A 54 4.593 -6.767 -4.380 1.00 41.24 H new ATOM 0 HG11 VAL A 54 3.794 -5.089 -2.761 1.00 42.40 H new ATOM 0 HG12 VAL A 54 3.670 -6.746 -2.123 1.00 42.40 H new ATOM 0 HG13 VAL A 54 4.983 -5.678 -1.575 1.00 42.40 H new ATOM 0 HG21 VAL A 54 5.567 -4.487 -4.362 1.00 24.42 H new ATOM 0 HG22 VAL A 54 6.849 -5.054 -3.266 1.00 24.42 H new ATOM 0 HG23 VAL A 54 6.739 -5.705 -4.918 1.00 24.42 H new ATOM 804 N LYS A 55 4.837 -9.013 -1.467 1.00 35.30 N ATOM 805 CA LYS A 55 4.003 -10.127 -0.980 1.00 3.23 C ATOM 806 C LYS A 55 2.888 -9.660 -0.022 1.00 73.43 C ATOM 807 O LYS A 55 2.661 -8.465 0.163 1.00 42.43 O ATOM 808 CB LYS A 55 4.883 -11.169 -0.272 1.00 4.34 C ATOM 809 CG LYS A 55 5.944 -11.807 -1.161 1.00 40.21 C ATOM 810 CD LYS A 55 6.705 -12.902 -0.419 1.00 35.04 C ATOM 811 CE LYS A 55 7.736 -13.582 -1.308 1.00 30.54 C ATOM 812 NZ LYS A 55 8.385 -14.734 -0.628 1.00 41.01 N ATOM 0 H LYS A 55 5.170 -8.387 -0.733 1.00 35.30 H new ATOM 0 HA LYS A 55 3.521 -10.568 -1.852 1.00 3.23 H new ATOM 0 HB2 LYS A 55 5.375 -10.694 0.577 1.00 4.34 H new ATOM 0 HB3 LYS A 55 4.243 -11.955 0.130 1.00 4.34 H new ATOM 0 HG2 LYS A 55 5.472 -12.227 -2.049 1.00 40.21 H new ATOM 0 HG3 LYS A 55 6.643 -11.043 -1.502 1.00 40.21 H new ATOM 0 HD2 LYS A 55 7.203 -12.472 0.450 1.00 35.04 H new ATOM 0 HD3 LYS A 55 6.000 -13.646 -0.047 1.00 35.04 H new ATOM 0 HE2 LYS A 55 7.255 -13.926 -2.224 1.00 30.54 H new ATOM 0 HE3 LYS A 55 8.497 -12.858 -1.600 1.00 30.54 H new ATOM 0 HZ1 LYS A 55 9.080 -15.168 -1.268 1.00 41.01 H new ATOM 0 HZ2 LYS A 55 8.866 -14.403 0.232 1.00 41.01 H new ATOM 0 HZ3 LYS A 55 7.663 -15.438 -0.372 1.00 41.01 H new ATOM 826 N ASP A 56 2.195 -10.632 0.582 1.00 62.24 N ATOM 827 CA ASP A 56 1.088 -10.364 1.506 1.00 52.13 C ATOM 828 C ASP A 56 1.549 -9.602 2.764 1.00 11.31 C ATOM 829 O ASP A 56 2.530 -9.973 3.414 1.00 75.40 O ATOM 830 CB ASP A 56 0.418 -11.687 1.901 1.00 0.54 C ATOM 831 CG ASP A 56 -0.762 -11.497 2.836 1.00 44.13 C ATOM 832 OD1 ASP A 56 -1.886 -11.252 2.348 1.00 74.01 O ATOM 833 OD2 ASP A 56 -0.578 -11.599 4.066 1.00 14.41 O ATOM 0 H ASP A 56 2.386 -11.625 0.444 1.00 62.24 H new ATOM 0 HA ASP A 56 0.371 -9.725 0.991 1.00 52.13 H new ATOM 0 HB2 ASP A 56 0.082 -12.201 1.000 1.00 0.54 H new ATOM 0 HB3 ASP A 56 1.154 -12.332 2.380 1.00 0.54 H new ATOM 838 N GLY A 57 0.817 -8.546 3.107 1.00 44.41 N ATOM 839 CA GLY A 57 1.146 -7.730 4.270 1.00 23.24 C ATOM 840 C GLY A 57 2.297 -6.762 4.026 1.00 1.00 C ATOM 841 O GLY A 57 3.066 -6.456 4.944 1.00 73.34 O ATOM 0 H GLY A 57 -0.009 -8.236 2.595 1.00 44.41 H new ATOM 0 HA2 GLY A 57 0.263 -7.165 4.569 1.00 23.24 H new ATOM 0 HA3 GLY A 57 1.402 -8.385 5.103 1.00 23.24 H new ATOM 845 N ASP A 58 2.415 -6.259 2.797 1.00 41.15 N ATOM 846 CA ASP A 58 3.512 -5.353 2.443 1.00 45.52 C ATOM 847 C ASP A 58 2.965 -3.985 1.992 1.00 1.22 C ATOM 848 O ASP A 58 1.866 -3.894 1.440 1.00 73.33 O ATOM 849 CB ASP A 58 4.380 -5.983 1.342 1.00 53.11 C ATOM 850 CG ASP A 58 5.807 -5.454 1.336 1.00 52.41 C ATOM 851 OD1 ASP A 58 6.057 -4.382 1.932 1.00 11.34 O ATOM 852 OD2 ASP A 58 6.690 -6.123 0.754 1.00 73.45 O ATOM 0 H ASP A 58 1.770 -6.461 2.033 1.00 41.15 H new ATOM 0 HA ASP A 58 4.131 -5.192 3.326 1.00 45.52 H new ATOM 0 HB2 ASP A 58 4.400 -7.065 1.476 1.00 53.11 H new ATOM 0 HB3 ASP A 58 3.923 -5.791 0.371 1.00 53.11 H new ATOM 857 N ALA A 59 3.737 -2.926 2.226 1.00 34.04 N ATOM 858 CA ALA A 59 3.286 -1.562 1.931 1.00 24.11 C ATOM 859 C ALA A 59 3.938 -0.998 0.662 1.00 55.10 C ATOM 860 O ALA A 59 4.951 -0.299 0.723 1.00 34.24 O ATOM 861 CB ALA A 59 3.553 -0.643 3.119 1.00 45.34 C ATOM 0 H ALA A 59 4.677 -2.983 2.618 1.00 34.04 H new ATOM 0 HA ALA A 59 2.212 -1.609 1.750 1.00 24.11 H new ATOM 0 HB1 ALA A 59 3.212 0.365 2.883 1.00 45.34 H new ATOM 0 HB2 ALA A 59 3.016 -1.012 3.993 1.00 45.34 H new ATOM 0 HB3 ALA A 59 4.622 -0.624 3.331 1.00 45.34 H new ATOM 867 N VAL A 60 3.366 -1.327 -0.490 1.00 11.22 N ATOM 868 CA VAL A 60 3.806 -0.747 -1.759 1.00 30.04 C ATOM 869 C VAL A 60 3.050 0.562 -2.039 1.00 5.02 C ATOM 870 O VAL A 60 1.956 0.562 -2.607 1.00 41.11 O ATOM 871 CB VAL A 60 3.625 -1.748 -2.937 1.00 4.14 C ATOM 872 CG1 VAL A 60 2.199 -2.300 -2.986 1.00 12.30 C ATOM 873 CG2 VAL A 60 4.011 -1.104 -4.273 1.00 65.12 C ATOM 0 H VAL A 60 2.597 -1.992 -0.575 1.00 11.22 H new ATOM 0 HA VAL A 60 4.870 -0.527 -1.675 1.00 30.04 H new ATOM 0 HB VAL A 60 4.298 -2.587 -2.762 1.00 4.14 H new ATOM 0 HG11 VAL A 60 2.107 -2.996 -3.820 1.00 12.30 H new ATOM 0 HG12 VAL A 60 1.978 -2.820 -2.054 1.00 12.30 H new ATOM 0 HG13 VAL A 60 1.495 -1.478 -3.119 1.00 12.30 H new ATOM 0 HG21 VAL A 60 3.875 -1.826 -5.078 1.00 65.12 H new ATOM 0 HG22 VAL A 60 3.378 -0.235 -4.454 1.00 65.12 H new ATOM 0 HG23 VAL A 60 5.055 -0.792 -4.238 1.00 65.12 H new ATOM 883 N GLU A 61 3.618 1.683 -1.607 1.00 24.42 N ATOM 884 CA GLU A 61 2.948 2.971 -1.772 1.00 25.00 C ATOM 885 C GLU A 61 2.948 3.402 -3.244 1.00 70.11 C ATOM 886 O GLU A 61 3.904 4.003 -3.740 1.00 71.11 O ATOM 887 CB GLU A 61 3.579 4.053 -0.889 1.00 73.02 C ATOM 888 CG GLU A 61 2.753 5.338 -0.837 1.00 3.24 C ATOM 889 CD GLU A 61 3.249 6.329 0.202 1.00 65.24 C ATOM 890 OE1 GLU A 61 3.403 5.935 1.374 1.00 4.43 O ATOM 891 OE2 GLU A 61 3.441 7.517 -0.138 1.00 61.13 O ATOM 0 H GLU A 61 4.527 1.729 -1.146 1.00 24.42 H new ATOM 0 HA GLU A 61 1.914 2.846 -1.451 1.00 25.00 H new ATOM 0 HB2 GLU A 61 3.700 3.664 0.122 1.00 73.02 H new ATOM 0 HB3 GLU A 61 4.576 4.284 -1.263 1.00 73.02 H new ATOM 0 HG2 GLU A 61 2.769 5.812 -1.818 1.00 3.24 H new ATOM 0 HG3 GLU A 61 1.715 5.086 -0.622 1.00 3.24 H new ATOM 898 N PHE A 62 1.876 3.041 -3.941 1.00 44.14 N ATOM 899 CA PHE A 62 1.701 3.395 -5.346 1.00 43.40 C ATOM 900 C PHE A 62 1.366 4.885 -5.504 1.00 15.31 C ATOM 901 O PHE A 62 0.279 5.331 -5.126 1.00 71.10 O ATOM 902 CB PHE A 62 0.593 2.528 -5.965 1.00 22.41 C ATOM 903 CG PHE A 62 0.401 2.748 -7.447 1.00 62.21 C ATOM 904 CD1 PHE A 62 1.189 2.073 -8.367 1.00 41.32 C ATOM 905 CD2 PHE A 62 -0.561 3.630 -7.918 1.00 3.41 C ATOM 906 CE1 PHE A 62 1.023 2.274 -9.723 1.00 62.01 C ATOM 907 CE2 PHE A 62 -0.729 3.836 -9.272 1.00 42.15 C ATOM 908 CZ PHE A 62 0.063 3.156 -10.177 1.00 44.42 C ATOM 0 H PHE A 62 1.107 2.497 -3.551 1.00 44.14 H new ATOM 0 HA PHE A 62 2.639 3.207 -5.869 1.00 43.40 H new ATOM 0 HB2 PHE A 62 0.827 1.478 -5.791 1.00 22.41 H new ATOM 0 HB3 PHE A 62 -0.346 2.735 -5.452 1.00 22.41 H new ATOM 0 HD1 PHE A 62 1.942 1.381 -8.019 1.00 41.32 H new ATOM 0 HD2 PHE A 62 -1.186 4.162 -7.216 1.00 3.41 H new ATOM 0 HE1 PHE A 62 1.644 1.741 -10.428 1.00 62.01 H new ATOM 0 HE2 PHE A 62 -1.479 4.528 -9.624 1.00 42.15 H new ATOM 0 HZ PHE A 62 -0.069 3.314 -11.237 1.00 44.42 H new ATOM 918 N LEU A 63 2.304 5.654 -6.048 1.00 32.43 N ATOM 919 CA LEU A 63 2.081 7.083 -6.277 1.00 4.13 C ATOM 920 C LEU A 63 1.140 7.303 -7.472 1.00 65.14 C ATOM 921 O LEU A 63 1.090 6.495 -8.400 1.00 42.21 O ATOM 922 CB LEU A 63 3.416 7.803 -6.500 1.00 34.24 C ATOM 923 CG LEU A 63 4.478 7.542 -5.422 1.00 11.34 C ATOM 924 CD1 LEU A 63 5.741 8.354 -5.696 1.00 4.21 C ATOM 925 CD2 LEU A 63 3.925 7.839 -4.025 1.00 45.04 C ATOM 0 H LEU A 63 3.222 5.317 -6.338 1.00 32.43 H new ATOM 0 HA LEU A 63 1.606 7.503 -5.390 1.00 4.13 H new ATOM 0 HB2 LEU A 63 3.818 7.501 -7.467 1.00 34.24 H new ATOM 0 HB3 LEU A 63 3.229 8.876 -6.554 1.00 34.24 H new ATOM 0 HG LEU A 63 4.744 6.485 -5.458 1.00 11.34 H new ATOM 0 HD11 LEU A 63 6.479 8.153 -4.919 1.00 4.21 H new ATOM 0 HD12 LEU A 63 6.150 8.074 -6.667 1.00 4.21 H new ATOM 0 HD13 LEU A 63 5.497 9.416 -5.698 1.00 4.21 H new ATOM 0 HD21 LEU A 63 4.697 7.646 -3.280 1.00 45.04 H new ATOM 0 HD22 LEU A 63 3.620 8.884 -3.969 1.00 45.04 H new ATOM 0 HD23 LEU A 63 3.065 7.199 -3.831 1.00 45.04 H new