USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 498 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 18 THR OG1 : rot -160:sc= -1.52 USER MOD Set 1.2: A 21 MET CE :methyl -163:sc= -5.32! (180deg=-6.88!) USER MOD Set 2.1: A 14 ASN : amide:sc= -1.52! C(o=-0.75!,f=-8.6!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ 145:sc= 0.773 (180deg=0) USER MOD Set 3.1: A 2 GLN : amide:sc= -6.03! C(o=-5.2!,f=-15!) USER MOD Set 3.2: A 4 SER OG : rot -67:sc= 0.854 USER MOD Single : A 15 THR OG1 : rot 67:sc= -0.151 USER MOD Single : A 22 MET CE :methyl 142:sc= -0.523 (180deg=-3.61!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 24 THR OG1 : rot 105:sc= 0.535 USER MOD Single : A 28 SER OG : rot 180:sc= -0.337 USER MOD Single : A 30 THR OG1 : rot 37:sc= 0.19 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -145:sc= -7.94! (180deg=-16.3!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -4.85! C(o=-4.9!,f=-7.1!) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.499 F(o=-1.7,f=-0.5) USER MOD Single : A 51 MET CE :methyl -167:sc= -1.93 (180deg=-2.56!) USER MOD Single : A 53 THR OG1 : rot -120:sc= -1.26 USER MOD Single : A 54 THR OG1 : rot 160:sc= -3.19! USER MOD Single : A 56 MET CE :methyl -160:sc= -3.97! (180deg=-4.19!) USER MOD Single : A 59 MET CE :methyl 171:sc= -5.55! (180deg=-6.17!) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.631 USER MOD ----------------------------------------------------------------- ATOM 32 N GLN A 2 -1.269 0.364 -4.835 1.00 12.13 N ATOM 33 CA GLN A 2 -1.752 1.486 -5.623 1.00 20.54 C ATOM 34 C GLN A 2 -2.499 0.983 -6.860 1.00 22.33 C ATOM 35 O GLN A 2 -2.018 0.093 -7.560 1.00 52.34 O ATOM 36 CB GLN A 2 -0.602 2.414 -6.016 1.00 42.45 C ATOM 37 CG GLN A 2 0.103 1.910 -7.278 1.00 14.53 C ATOM 38 CD GLN A 2 -0.696 2.269 -8.532 1.00 52.54 C ATOM 39 OE1 GLN A 2 -1.025 1.428 -9.352 1.00 65.15 O ATOM 40 NE2 GLN A 2 -0.989 3.563 -8.635 1.00 75.44 N ATOM 0 HA GLN A 2 -2.447 2.062 -5.012 1.00 20.54 H new ATOM 0 HB2 GLN A 2 -0.984 3.421 -6.186 1.00 42.45 H new ATOM 0 HB3 GLN A 2 0.114 2.479 -5.197 1.00 42.45 H new ATOM 0 HG2 GLN A 2 1.100 2.346 -7.341 1.00 14.53 H new ATOM 0 HG3 GLN A 2 0.231 0.829 -7.221 1.00 14.53 H new ATOM 0 HE21 GLN A 2 -0.683 4.214 -7.912 1.00 75.44 H new ATOM 0 HE22 GLN A 2 -1.520 3.903 -9.437 1.00 75.44 H new ATOM 49 N GLU A 3 -3.662 1.574 -7.090 1.00 61.14 N ATOM 50 CA GLU A 3 -4.480 1.197 -8.231 1.00 22.03 C ATOM 51 C GLU A 3 -3.803 1.626 -9.534 1.00 53.32 C ATOM 52 O GLU A 3 -3.362 2.767 -9.662 1.00 40.31 O ATOM 53 CB GLU A 3 -5.884 1.794 -8.119 1.00 71.14 C ATOM 54 CG GLU A 3 -6.836 0.828 -7.410 1.00 4.41 C ATOM 55 CD GLU A 3 -8.243 1.420 -7.310 1.00 10.23 C ATOM 56 OE1 GLU A 3 -9.224 0.751 -7.668 1.00 2.24 O ATOM 57 OE2 GLU A 3 -8.298 2.620 -6.839 1.00 43.13 O ATOM 0 H GLU A 3 -4.058 2.311 -6.506 1.00 61.14 H new ATOM 0 HA GLU A 3 -4.582 0.112 -8.238 1.00 22.03 H new ATOM 0 HB2 GLU A 3 -5.840 2.735 -7.571 1.00 71.14 H new ATOM 0 HB3 GLU A 3 -6.266 2.022 -9.114 1.00 71.14 H new ATOM 0 HG2 GLU A 3 -6.873 -0.116 -7.953 1.00 4.41 H new ATOM 0 HG3 GLU A 3 -6.459 0.607 -6.412 1.00 4.41 H new ATOM 65 N SER A 4 -3.743 0.689 -10.469 1.00 11.22 N ATOM 66 CA SER A 4 -3.128 0.956 -11.758 1.00 1.32 C ATOM 67 C SER A 4 -4.147 0.742 -12.879 1.00 12.14 C ATOM 68 O SER A 4 -4.990 -0.149 -12.794 1.00 35.33 O ATOM 69 CB SER A 4 -1.902 0.067 -11.978 1.00 14.21 C ATOM 70 OG SER A 4 -1.411 -0.477 -10.756 1.00 1.52 O ATOM 0 H SER A 4 -4.110 -0.256 -10.359 1.00 11.22 H new ATOM 0 HA SER A 4 -2.797 1.995 -11.770 1.00 1.32 H new ATOM 0 HB2 SER A 4 -2.160 -0.745 -12.658 1.00 14.21 H new ATOM 0 HB3 SER A 4 -1.115 0.648 -12.459 1.00 14.21 H new ATOM 0 HG SER A 4 -1.049 0.244 -10.199 1.00 1.52 H new ATOM 76 N VAL A 5 -4.036 1.575 -13.903 1.00 71.11 N ATOM 77 CA VAL A 5 -4.938 1.488 -15.039 1.00 65.14 C ATOM 78 C VAL A 5 -4.907 0.065 -15.602 1.00 4.43 C ATOM 79 O VAL A 5 -3.836 -0.519 -15.762 1.00 74.33 O ATOM 80 CB VAL A 5 -4.573 2.550 -16.079 1.00 31.21 C ATOM 81 CG1 VAL A 5 -5.400 2.375 -17.354 1.00 61.03 C ATOM 82 CG2 VAL A 5 -4.740 3.958 -15.506 1.00 15.44 C ATOM 0 H VAL A 5 -3.335 2.313 -13.970 1.00 71.11 H new ATOM 0 HA VAL A 5 -5.963 1.693 -14.730 1.00 65.14 H new ATOM 0 HB VAL A 5 -3.523 2.417 -16.340 1.00 31.21 H new ATOM 0 HG11 VAL A 5 -5.121 3.142 -18.077 1.00 61.03 H new ATOM 0 HG12 VAL A 5 -5.209 1.390 -17.779 1.00 61.03 H new ATOM 0 HG13 VAL A 5 -6.460 2.469 -17.116 1.00 61.03 H new ATOM 0 HG21 VAL A 5 -4.474 4.694 -16.265 1.00 15.44 H new ATOM 0 HG22 VAL A 5 -5.776 4.107 -15.203 1.00 15.44 H new ATOM 0 HG23 VAL A 5 -4.088 4.078 -14.640 1.00 15.44 H new ATOM 92 N VAL A 6 -6.093 -0.450 -15.886 1.00 35.43 N ATOM 93 CA VAL A 6 -6.216 -1.793 -16.427 1.00 22.43 C ATOM 94 C VAL A 6 -7.298 -1.806 -17.508 1.00 60.22 C ATOM 95 O VAL A 6 -8.443 -1.440 -17.250 1.00 13.42 O ATOM 96 CB VAL A 6 -6.487 -2.790 -15.298 1.00 12.33 C ATOM 97 CG1 VAL A 6 -6.856 -4.165 -15.857 1.00 72.11 C ATOM 98 CG2 VAL A 6 -5.289 -2.886 -14.352 1.00 4.04 C ATOM 0 H VAL A 6 -6.978 0.038 -15.752 1.00 35.43 H new ATOM 0 HA VAL A 6 -5.282 -2.101 -16.898 1.00 22.43 H new ATOM 0 HB VAL A 6 -7.338 -2.423 -14.724 1.00 12.33 H new ATOM 0 HG11 VAL A 6 -7.043 -4.854 -15.034 1.00 72.11 H new ATOM 0 HG12 VAL A 6 -7.753 -4.080 -16.470 1.00 72.11 H new ATOM 0 HG13 VAL A 6 -6.035 -4.542 -16.466 1.00 72.11 H new ATOM 0 HG21 VAL A 6 -5.508 -3.601 -13.559 1.00 4.04 H new ATOM 0 HG22 VAL A 6 -4.412 -3.218 -14.908 1.00 4.04 H new ATOM 0 HG23 VAL A 6 -5.092 -1.908 -13.914 1.00 4.04 H new ATOM 108 N ALA A 7 -6.897 -2.232 -18.697 1.00 24.22 N ATOM 109 CA ALA A 7 -7.818 -2.298 -19.819 1.00 2.43 C ATOM 110 C ALA A 7 -9.086 -3.038 -19.389 1.00 51.30 C ATOM 111 O ALA A 7 -9.107 -4.267 -19.345 1.00 12.31 O ATOM 112 CB ALA A 7 -7.127 -2.967 -21.008 1.00 41.04 C ATOM 0 H ALA A 7 -5.946 -2.535 -18.908 1.00 24.22 H new ATOM 0 HA ALA A 7 -8.112 -1.297 -20.134 1.00 2.43 H new ATOM 0 HB1 ALA A 7 -7.818 -3.017 -21.850 1.00 41.04 H new ATOM 0 HB2 ALA A 7 -6.249 -2.387 -21.293 1.00 41.04 H new ATOM 0 HB3 ALA A 7 -6.820 -3.976 -20.730 1.00 41.04 H new ATOM 118 N ALA A 8 -10.113 -2.258 -19.083 1.00 62.11 N ATOM 119 CA ALA A 8 -11.382 -2.824 -18.658 1.00 61.25 C ATOM 120 C ALA A 8 -11.971 -3.657 -19.799 1.00 10.12 C ATOM 121 O ALA A 8 -12.907 -4.427 -19.590 1.00 71.24 O ATOM 122 CB ALA A 8 -12.319 -1.700 -18.213 1.00 51.21 C ATOM 0 H ALA A 8 -10.092 -1.239 -19.121 1.00 62.11 H new ATOM 0 HA ALA A 8 -11.240 -3.487 -17.804 1.00 61.25 H new ATOM 0 HB1 ALA A 8 -13.271 -2.125 -17.894 1.00 51.21 H new ATOM 0 HB2 ALA A 8 -11.867 -1.157 -17.383 1.00 51.21 H new ATOM 0 HB3 ALA A 8 -12.487 -1.016 -19.045 1.00 51.21 H new ATOM 128 N VAL A 9 -11.398 -3.474 -20.980 1.00 14.15 N ATOM 129 CA VAL A 9 -11.855 -4.199 -22.153 1.00 50.32 C ATOM 130 C VAL A 9 -10.713 -4.289 -23.167 1.00 72.45 C ATOM 131 O VAL A 9 -9.667 -3.669 -22.987 1.00 2.52 O ATOM 132 CB VAL A 9 -13.110 -3.534 -22.723 1.00 62.03 C ATOM 133 CG1 VAL A 9 -14.209 -3.439 -21.664 1.00 12.54 C ATOM 134 CG2 VAL A 9 -12.785 -2.156 -23.302 1.00 40.44 C ATOM 0 H VAL A 9 -10.622 -2.834 -21.149 1.00 14.15 H new ATOM 0 HA VAL A 9 -12.136 -5.218 -21.888 1.00 50.32 H new ATOM 0 HB VAL A 9 -13.481 -4.159 -23.535 1.00 62.03 H new ATOM 0 HG11 VAL A 9 -15.090 -2.963 -22.095 1.00 12.54 H new ATOM 0 HG12 VAL A 9 -14.470 -4.440 -21.320 1.00 12.54 H new ATOM 0 HG13 VAL A 9 -13.852 -2.847 -20.821 1.00 12.54 H new ATOM 0 HG21 VAL A 9 -13.694 -1.705 -23.700 1.00 40.44 H new ATOM 0 HG22 VAL A 9 -12.378 -1.519 -22.517 1.00 40.44 H new ATOM 0 HG23 VAL A 9 -12.052 -2.261 -24.101 1.00 40.44 H new ATOM 144 N LEU A 10 -10.953 -5.068 -24.212 1.00 40.14 N ATOM 145 CA LEU A 10 -9.958 -5.248 -25.256 1.00 3.14 C ATOM 146 C LEU A 10 -9.683 -3.902 -25.930 1.00 72.32 C ATOM 147 O LEU A 10 -10.498 -3.420 -26.715 1.00 41.15 O ATOM 148 CB LEU A 10 -10.393 -6.346 -26.228 1.00 54.21 C ATOM 149 CG LEU A 10 -9.603 -6.437 -27.535 1.00 25.03 C ATOM 150 CD1 LEU A 10 -8.402 -7.374 -27.385 1.00 35.00 C ATOM 151 CD2 LEU A 10 -10.509 -6.848 -28.697 1.00 11.13 C ATOM 0 H LEU A 10 -11.822 -5.582 -24.358 1.00 40.14 H new ATOM 0 HA LEU A 10 -9.015 -5.589 -24.829 1.00 3.14 H new ATOM 0 HB2 LEU A 10 -10.322 -7.306 -25.716 1.00 54.21 H new ATOM 0 HB3 LEU A 10 -11.444 -6.192 -26.472 1.00 54.21 H new ATOM 0 HG LEU A 10 -9.212 -5.446 -27.767 1.00 25.03 H new ATOM 0 HD11 LEU A 10 -7.857 -7.421 -28.328 1.00 35.00 H new ATOM 0 HD12 LEU A 10 -7.742 -6.998 -26.603 1.00 35.00 H new ATOM 0 HD13 LEU A 10 -8.750 -8.372 -27.117 1.00 35.00 H new ATOM 0 HD21 LEU A 10 -9.922 -6.905 -29.614 1.00 11.13 H new ATOM 0 HD22 LEU A 10 -10.950 -7.822 -28.487 1.00 11.13 H new ATOM 0 HD23 LEU A 10 -11.302 -6.110 -28.819 1.00 11.13 H new ATOM 163 N ILE A 11 -8.533 -3.334 -25.599 1.00 61.43 N ATOM 164 CA ILE A 11 -8.141 -2.054 -26.163 1.00 42.03 C ATOM 165 C ILE A 11 -7.135 -2.286 -27.293 1.00 54.40 C ATOM 166 O ILE A 11 -5.986 -2.643 -27.042 1.00 23.40 O ATOM 167 CB ILE A 11 -7.628 -1.119 -25.066 1.00 31.53 C ATOM 168 CG1 ILE A 11 -8.289 -1.436 -23.723 1.00 34.22 C ATOM 169 CG2 ILE A 11 -7.812 0.346 -25.464 1.00 1.44 C ATOM 170 CD1 ILE A 11 -8.188 -0.246 -22.767 1.00 42.43 C ATOM 0 H ILE A 11 -7.860 -3.737 -24.947 1.00 61.43 H new ATOM 0 HA ILE A 11 -9.003 -1.551 -26.601 1.00 42.03 H new ATOM 0 HB ILE A 11 -6.558 -1.287 -24.946 1.00 31.53 H new ATOM 0 HG12 ILE A 11 -9.337 -1.692 -23.881 1.00 34.22 H new ATOM 0 HG13 ILE A 11 -7.812 -2.308 -23.276 1.00 34.22 H new ATOM 0 HG21 ILE A 11 -7.439 0.989 -24.667 1.00 1.44 H new ATOM 0 HG22 ILE A 11 -7.258 0.546 -26.381 1.00 1.44 H new ATOM 0 HG23 ILE A 11 -8.870 0.548 -25.628 1.00 1.44 H new ATOM 0 HD11 ILE A 11 -8.666 -0.498 -21.820 1.00 42.43 H new ATOM 0 HD12 ILE A 11 -7.139 -0.008 -22.592 1.00 42.43 H new ATOM 0 HD13 ILE A 11 -8.688 0.617 -23.207 1.00 42.43 H new ATOM 182 N PRO A 12 -7.618 -2.067 -28.546 1.00 3.54 N ATOM 183 CA PRO A 12 -6.774 -2.248 -29.715 1.00 11.43 C ATOM 184 C PRO A 12 -5.780 -1.093 -29.858 1.00 33.11 C ATOM 185 O PRO A 12 -5.850 -0.114 -29.117 1.00 52.42 O ATOM 186 CB PRO A 12 -7.739 -2.349 -30.884 1.00 74.14 C ATOM 187 CG PRO A 12 -9.052 -1.759 -30.394 1.00 63.03 C ATOM 188 CD PRO A 12 -8.974 -1.642 -28.881 1.00 22.21 C ATOM 0 HA PRO A 12 -6.152 -3.141 -29.651 1.00 11.43 H new ATOM 0 HB2 PRO A 12 -7.364 -1.802 -31.749 1.00 74.14 H new ATOM 0 HB3 PRO A 12 -7.869 -3.386 -31.195 1.00 74.14 H new ATOM 0 HG2 PRO A 12 -9.223 -0.781 -30.844 1.00 63.03 H new ATOM 0 HG3 PRO A 12 -9.888 -2.394 -30.685 1.00 63.03 H new ATOM 0 HD2 PRO A 12 -9.161 -0.620 -28.553 1.00 22.21 H new ATOM 0 HD3 PRO A 12 -9.718 -2.274 -28.396 1.00 22.21 H new ATOM 196 N ILE A 13 -4.878 -1.247 -30.816 1.00 52.40 N ATOM 197 CA ILE A 13 -3.871 -0.229 -31.066 1.00 55.00 C ATOM 198 C ILE A 13 -4.548 1.025 -31.624 1.00 63.13 C ATOM 199 O ILE A 13 -5.636 0.947 -32.192 1.00 70.11 O ATOM 200 CB ILE A 13 -2.763 -0.781 -31.964 1.00 62.41 C ATOM 201 CG1 ILE A 13 -1.679 0.271 -32.207 1.00 62.21 C ATOM 202 CG2 ILE A 13 -3.338 -1.325 -33.274 1.00 2.04 C ATOM 203 CD1 ILE A 13 -0.334 -0.389 -32.520 1.00 74.32 C ATOM 0 H ILE A 13 -4.823 -2.061 -31.428 1.00 52.40 H new ATOM 0 HA ILE A 13 -3.381 0.060 -30.136 1.00 55.00 H new ATOM 0 HB ILE A 13 -2.291 -1.617 -31.448 1.00 62.41 H new ATOM 0 HG12 ILE A 13 -1.973 0.916 -33.035 1.00 62.21 H new ATOM 0 HG13 ILE A 13 -1.580 0.906 -31.327 1.00 62.21 H new ATOM 0 HG21 ILE A 13 -2.529 -1.711 -33.894 1.00 2.04 H new ATOM 0 HG22 ILE A 13 -4.043 -2.127 -33.056 1.00 2.04 H new ATOM 0 HG23 ILE A 13 -3.852 -0.524 -33.806 1.00 2.04 H new ATOM 0 HD11 ILE A 13 0.419 0.381 -32.689 1.00 74.32 H new ATOM 0 HD12 ILE A 13 -0.031 -1.015 -31.680 1.00 74.32 H new ATOM 0 HD13 ILE A 13 -0.430 -1.004 -33.415 1.00 74.32 H new ATOM 215 N ASN A 14 -3.875 2.152 -31.443 1.00 64.43 N ATOM 216 CA ASN A 14 -4.397 3.420 -31.922 1.00 2.42 C ATOM 217 C ASN A 14 -5.902 3.481 -31.654 1.00 70.13 C ATOM 218 O ASN A 14 -6.683 3.796 -32.550 1.00 52.45 O ATOM 219 CB ASN A 14 -4.178 3.573 -33.428 1.00 41.12 C ATOM 220 CG ASN A 14 -2.810 3.027 -33.842 1.00 4.44 C ATOM 221 OD1 ASN A 14 -1.806 3.227 -33.177 1.00 11.21 O ATOM 222 ND2 ASN A 14 -2.825 2.329 -34.973 1.00 51.13 N ATOM 0 H ASN A 14 -2.973 2.213 -30.971 1.00 64.43 H new ATOM 0 HA ASN A 14 -3.872 4.219 -31.399 1.00 2.42 H new ATOM 0 HB2 ASN A 14 -4.963 3.044 -33.969 1.00 41.12 H new ATOM 0 HB3 ASN A 14 -4.253 4.625 -33.705 1.00 41.12 H new ATOM 0 HD21 ASN A 14 -1.961 1.923 -35.333 1.00 51.13 H new ATOM 0 HD22 ASN A 14 -3.700 2.199 -35.481 1.00 51.13 H new ATOM 229 N THR A 15 -6.264 3.174 -30.417 1.00 63.53 N ATOM 230 CA THR A 15 -7.661 3.189 -30.021 1.00 14.05 C ATOM 231 C THR A 15 -7.895 4.238 -28.931 1.00 60.15 C ATOM 232 O THR A 15 -7.303 4.164 -27.856 1.00 21.41 O ATOM 233 CB THR A 15 -8.047 1.772 -29.592 1.00 21.21 C ATOM 234 OG1 THR A 15 -7.958 1.010 -30.793 1.00 23.34 O ATOM 235 CG2 THR A 15 -9.519 1.662 -29.189 1.00 61.23 C ATOM 0 H THR A 15 -5.613 2.913 -29.676 1.00 63.53 H new ATOM 0 HA THR A 15 -8.304 3.479 -30.852 1.00 14.05 H new ATOM 0 HB THR A 15 -7.419 1.462 -28.757 1.00 21.21 H new ATOM 0 HG1 THR A 15 -7.023 0.966 -31.084 1.00 23.34 H new ATOM 0 HG21 THR A 15 -9.740 0.636 -28.894 1.00 61.23 H new ATOM 0 HG22 THR A 15 -9.718 2.331 -28.352 1.00 61.23 H new ATOM 0 HG23 THR A 15 -10.149 1.940 -30.034 1.00 61.23 H new ATOM 243 N ALA A 16 -8.759 5.191 -29.248 1.00 73.21 N ATOM 244 CA ALA A 16 -9.079 6.253 -28.310 1.00 5.50 C ATOM 245 C ALA A 16 -9.441 5.641 -26.956 1.00 35.41 C ATOM 246 O ALA A 16 -10.319 4.782 -26.874 1.00 43.22 O ATOM 247 CB ALA A 16 -10.206 7.117 -28.880 1.00 62.53 C ATOM 0 H ALA A 16 -9.247 5.250 -30.142 1.00 73.21 H new ATOM 0 HA ALA A 16 -8.217 6.902 -28.158 1.00 5.50 H new ATOM 0 HB1 ALA A 16 -10.446 7.914 -28.176 1.00 62.53 H new ATOM 0 HB2 ALA A 16 -9.887 7.553 -29.826 1.00 62.53 H new ATOM 0 HB3 ALA A 16 -11.090 6.500 -29.044 1.00 62.53 H new ATOM 253 N LEU A 17 -8.748 6.105 -25.927 1.00 12.50 N ATOM 254 CA LEU A 17 -8.987 5.614 -24.581 1.00 25.24 C ATOM 255 C LEU A 17 -10.250 6.270 -24.019 1.00 24.51 C ATOM 256 O LEU A 17 -10.524 7.436 -24.297 1.00 60.11 O ATOM 257 CB LEU A 17 -7.747 5.819 -23.708 1.00 3.41 C ATOM 258 CG LEU A 17 -6.564 4.892 -23.994 1.00 43.32 C ATOM 259 CD1 LEU A 17 -5.318 5.340 -23.227 1.00 32.01 C ATOM 260 CD2 LEU A 17 -6.925 3.435 -23.700 1.00 13.12 C ATOM 0 H LEU A 17 -8.020 6.816 -25.998 1.00 12.50 H new ATOM 0 HA LEU A 17 -9.165 4.539 -24.594 1.00 25.24 H new ATOM 0 HB2 LEU A 17 -7.412 6.850 -23.824 1.00 3.41 H new ATOM 0 HB3 LEU A 17 -8.037 5.694 -22.665 1.00 3.41 H new ATOM 0 HG LEU A 17 -6.329 4.957 -25.056 1.00 43.32 H new ATOM 0 HD11 LEU A 17 -4.492 4.664 -23.448 1.00 32.01 H new ATOM 0 HD12 LEU A 17 -5.049 6.352 -23.529 1.00 32.01 H new ATOM 0 HD13 LEU A 17 -5.524 5.323 -22.157 1.00 32.01 H new ATOM 0 HD21 LEU A 17 -6.067 2.798 -23.912 1.00 13.12 H new ATOM 0 HD22 LEU A 17 -7.202 3.333 -22.651 1.00 13.12 H new ATOM 0 HD23 LEU A 17 -7.764 3.134 -24.328 1.00 13.12 H new ATOM 272 N THR A 18 -10.985 5.491 -23.239 1.00 1.24 N ATOM 273 CA THR A 18 -12.212 5.982 -22.635 1.00 74.34 C ATOM 274 C THR A 18 -12.401 5.377 -21.243 1.00 2.24 C ATOM 275 O THR A 18 -11.921 4.278 -20.969 1.00 13.10 O ATOM 276 CB THR A 18 -13.366 5.674 -23.593 1.00 25.35 C ATOM 277 OG1 THR A 18 -13.028 4.405 -24.146 1.00 21.43 O ATOM 278 CG2 THR A 18 -13.390 6.612 -24.801 1.00 13.12 C ATOM 0 H THR A 18 -10.755 4.524 -23.011 1.00 1.24 H new ATOM 0 HA THR A 18 -12.174 7.061 -22.483 1.00 74.34 H new ATOM 0 HB THR A 18 -14.312 5.748 -23.057 1.00 25.35 H new ATOM 0 HG1 THR A 18 -13.522 4.270 -24.982 1.00 21.43 H new ATOM 0 HG21 THR A 18 -14.227 6.350 -25.448 1.00 13.12 H new ATOM 0 HG22 THR A 18 -13.502 7.641 -24.460 1.00 13.12 H new ATOM 0 HG23 THR A 18 -12.457 6.514 -25.357 1.00 13.12 H new ATOM 286 N VAL A 19 -13.100 6.122 -20.399 1.00 32.10 N ATOM 287 CA VAL A 19 -13.358 5.673 -19.041 1.00 40.12 C ATOM 288 C VAL A 19 -14.090 4.330 -19.083 1.00 4.02 C ATOM 289 O VAL A 19 -13.940 3.509 -18.179 1.00 44.11 O ATOM 290 CB VAL A 19 -14.127 6.749 -18.272 1.00 3.15 C ATOM 291 CG1 VAL A 19 -15.637 6.534 -18.389 1.00 22.42 C ATOM 292 CG2 VAL A 19 -13.691 6.791 -16.805 1.00 40.25 C ATOM 0 H VAL A 19 -13.496 7.034 -20.629 1.00 32.10 H new ATOM 0 HA VAL A 19 -12.421 5.516 -18.506 1.00 40.12 H new ATOM 0 HB VAL A 19 -13.891 7.714 -18.720 1.00 3.15 H new ATOM 0 HG11 VAL A 19 -16.160 7.313 -17.833 1.00 22.42 H new ATOM 0 HG12 VAL A 19 -15.931 6.578 -19.438 1.00 22.42 H new ATOM 0 HG13 VAL A 19 -15.898 5.558 -17.979 1.00 22.42 H new ATOM 0 HG21 VAL A 19 -14.253 7.564 -16.281 1.00 40.25 H new ATOM 0 HG22 VAL A 19 -13.884 5.824 -16.340 1.00 40.25 H new ATOM 0 HG23 VAL A 19 -12.626 7.015 -16.748 1.00 40.25 H new ATOM 302 N GLY A 20 -14.865 4.148 -20.141 1.00 75.41 N ATOM 303 CA GLY A 20 -15.621 2.918 -20.312 1.00 42.24 C ATOM 304 C GLY A 20 -14.757 1.828 -20.949 1.00 64.11 C ATOM 305 O GLY A 20 -15.267 0.788 -21.362 1.00 34.23 O ATOM 0 H GLY A 20 -14.986 4.831 -20.889 1.00 75.41 H new ATOM 0 HA2 GLY A 20 -15.990 2.576 -19.345 1.00 42.24 H new ATOM 0 HA3 GLY A 20 -16.494 3.107 -20.937 1.00 42.24 H new ATOM 309 N MET A 21 -13.462 2.103 -21.009 1.00 40.30 N ATOM 310 CA MET A 21 -12.522 1.159 -21.588 1.00 60.25 C ATOM 311 C MET A 21 -11.455 0.752 -20.570 1.00 41.41 C ATOM 312 O MET A 21 -11.033 -0.402 -20.535 1.00 64.35 O ATOM 313 CB MET A 21 -11.849 1.791 -22.808 1.00 51.43 C ATOM 314 CG MET A 21 -12.589 1.422 -24.096 1.00 12.34 C ATOM 315 SD MET A 21 -11.417 1.072 -25.395 1.00 44.30 S ATOM 316 CE MET A 21 -10.350 2.495 -25.242 1.00 0.34 C ATOM 0 H MET A 21 -13.042 2.967 -20.666 1.00 40.30 H new ATOM 0 HA MET A 21 -13.071 0.266 -21.887 1.00 60.25 H new ATOM 0 HB2 MET A 21 -11.827 2.875 -22.695 1.00 51.43 H new ATOM 0 HB3 MET A 21 -10.814 1.456 -22.871 1.00 51.43 H new ATOM 0 HG2 MET A 21 -13.224 0.553 -23.924 1.00 12.34 H new ATOM 0 HG3 MET A 21 -13.243 2.240 -24.396 1.00 12.34 H new ATOM 0 HE1 MET A 21 -9.753 2.601 -26.148 1.00 0.34 H new ATOM 0 HE2 MET A 21 -10.955 3.390 -25.100 1.00 0.34 H new ATOM 0 HE3 MET A 21 -9.689 2.364 -24.385 1.00 0.34 H new ATOM 326 N MET A 22 -11.050 1.724 -19.766 1.00 4.13 N ATOM 327 CA MET A 22 -10.040 1.482 -18.749 1.00 61.02 C ATOM 328 C MET A 22 -10.685 1.227 -17.385 1.00 61.25 C ATOM 329 O MET A 22 -11.907 1.272 -17.255 1.00 11.44 O ATOM 330 CB MET A 22 -9.109 2.693 -18.655 1.00 72.34 C ATOM 331 CG MET A 22 -8.378 2.926 -19.979 1.00 25.41 C ATOM 332 SD MET A 22 -9.166 4.243 -20.889 1.00 12.22 S ATOM 333 CE MET A 22 -8.668 5.644 -19.900 1.00 72.34 C ATOM 0 H MET A 22 -11.403 2.681 -19.798 1.00 4.13 H new ATOM 0 HA MET A 22 -9.471 0.596 -19.032 1.00 61.02 H new ATOM 0 HB2 MET A 22 -9.686 3.580 -18.393 1.00 72.34 H new ATOM 0 HB3 MET A 22 -8.383 2.537 -17.857 1.00 72.34 H new ATOM 0 HG2 MET A 22 -7.335 3.178 -19.788 1.00 25.41 H new ATOM 0 HG3 MET A 22 -8.381 2.011 -20.571 1.00 25.41 H new ATOM 0 HE1 MET A 22 -8.450 6.490 -20.552 1.00 72.34 H new ATOM 0 HE2 MET A 22 -9.473 5.911 -19.216 1.00 72.34 H new ATOM 0 HE3 MET A 22 -7.776 5.387 -19.328 1.00 72.34 H new ATOM 343 N THR A 23 -9.834 0.964 -16.404 1.00 74.33 N ATOM 344 CA THR A 23 -10.306 0.701 -15.055 1.00 52.22 C ATOM 345 C THR A 23 -9.139 0.730 -14.067 1.00 3.31 C ATOM 346 O THR A 23 -7.978 0.763 -14.473 1.00 1.04 O ATOM 347 CB THR A 23 -11.058 -0.631 -15.068 1.00 73.02 C ATOM 348 OG1 THR A 23 -11.722 -0.667 -13.808 1.00 30.42 O ATOM 349 CG2 THR A 23 -10.116 -1.836 -15.028 1.00 10.10 C ATOM 0 H THR A 23 -8.821 0.927 -16.516 1.00 74.33 H new ATOM 0 HA THR A 23 -10.995 1.476 -14.719 1.00 52.22 H new ATOM 0 HB THR A 23 -11.681 -0.687 -15.961 1.00 73.02 H new ATOM 0 HG1 THR A 23 -12.236 -1.498 -13.733 1.00 30.42 H new ATOM 0 HG21 THR A 23 -10.701 -2.756 -15.039 1.00 10.10 H new ATOM 0 HG22 THR A 23 -9.459 -1.813 -15.898 1.00 10.10 H new ATOM 0 HG23 THR A 23 -9.516 -1.799 -14.119 1.00 10.10 H new ATOM 357 N THR A 24 -9.487 0.717 -12.789 1.00 2.14 N ATOM 358 CA THR A 24 -8.482 0.742 -11.739 1.00 71.41 C ATOM 359 C THR A 24 -8.435 -0.605 -11.014 1.00 53.13 C ATOM 360 O THR A 24 -9.459 -1.093 -10.537 1.00 64.13 O ATOM 361 CB THR A 24 -8.794 1.919 -10.814 1.00 2.33 C ATOM 362 OG1 THR A 24 -10.102 1.639 -10.324 1.00 13.21 O ATOM 363 CG2 THR A 24 -8.955 3.236 -11.576 1.00 12.22 C ATOM 0 H THR A 24 -10.451 0.689 -12.456 1.00 2.14 H new ATOM 0 HA THR A 24 -7.483 0.889 -12.150 1.00 71.41 H new ATOM 0 HB THR A 24 -7.998 2.022 -10.077 1.00 2.33 H new ATOM 0 HG1 THR A 24 -10.044 1.325 -9.397 1.00 13.21 H new ATOM 0 HG21 THR A 24 -9.175 4.039 -10.872 1.00 12.22 H new ATOM 0 HG22 THR A 24 -8.032 3.464 -12.108 1.00 12.22 H new ATOM 0 HG23 THR A 24 -9.773 3.145 -12.291 1.00 12.22 H new ATOM 371 N ARG A 25 -7.237 -1.167 -10.954 1.00 71.24 N ATOM 372 CA ARG A 25 -7.043 -2.448 -10.296 1.00 14.23 C ATOM 373 C ARG A 25 -5.601 -2.579 -9.804 1.00 3.34 C ATOM 374 O ARG A 25 -4.673 -2.104 -10.457 1.00 63.50 O ATOM 375 CB ARG A 25 -7.359 -3.607 -11.242 1.00 73.45 C ATOM 376 CG ARG A 25 -8.496 -4.471 -10.692 1.00 11.22 C ATOM 377 CD ARG A 25 -9.728 -4.397 -11.596 1.00 13.43 C ATOM 378 NE ARG A 25 -10.261 -5.756 -11.838 1.00 11.03 N ATOM 379 CZ ARG A 25 -11.538 -6.017 -12.188 1.00 34.00 C ATOM 380 NH1 ARG A 25 -12.426 -5.011 -12.341 1.00 32.55 N ATOM 381 NH2 ARG A 25 -11.906 -7.270 -12.379 1.00 74.20 N ATOM 0 H ARG A 25 -6.390 -0.759 -11.350 1.00 71.24 H new ATOM 0 HA ARG A 25 -7.725 -2.491 -9.447 1.00 14.23 H new ATOM 0 HB2 ARG A 25 -7.636 -3.216 -12.221 1.00 73.45 H new ATOM 0 HB3 ARG A 25 -6.468 -4.219 -11.383 1.00 73.45 H new ATOM 0 HG2 ARG A 25 -8.163 -5.506 -10.609 1.00 11.22 H new ATOM 0 HG3 ARG A 25 -8.757 -4.138 -9.687 1.00 11.22 H new ATOM 0 HD2 ARG A 25 -10.493 -3.775 -11.132 1.00 13.43 H new ATOM 0 HD3 ARG A 25 -9.466 -3.926 -12.544 1.00 13.43 H new ATOM 0 HE ARG A 25 -9.623 -6.545 -11.734 1.00 11.03 H new ATOM 0 HH11 ARG A 25 -12.133 -4.045 -12.192 1.00 32.55 H new ATOM 0 HH12 ARG A 25 -13.389 -5.217 -12.606 1.00 32.55 H new ATOM 0 HH21 ARG A 25 -11.229 -8.024 -12.262 1.00 74.20 H new ATOM 0 HH22 ARG A 25 -12.867 -7.484 -12.644 1.00 74.20 H new ATOM 394 N VAL A 26 -5.457 -3.224 -8.656 1.00 30.54 N ATOM 395 CA VAL A 26 -4.143 -3.424 -8.068 1.00 41.24 C ATOM 396 C VAL A 26 -3.439 -4.579 -8.784 1.00 13.23 C ATOM 397 O VAL A 26 -3.445 -5.709 -8.299 1.00 24.31 O ATOM 398 CB VAL A 26 -4.272 -3.645 -6.560 1.00 1.41 C ATOM 399 CG1 VAL A 26 -2.900 -3.863 -5.919 1.00 11.55 C ATOM 400 CG2 VAL A 26 -5.009 -2.479 -5.896 1.00 63.43 C ATOM 0 H VAL A 26 -6.229 -3.615 -8.117 1.00 30.54 H new ATOM 0 HA VAL A 26 -3.526 -2.535 -8.200 1.00 41.24 H new ATOM 0 HB VAL A 26 -4.863 -4.548 -6.403 1.00 1.41 H new ATOM 0 HG11 VAL A 26 -3.020 -4.018 -4.847 1.00 11.55 H new ATOM 0 HG12 VAL A 26 -2.427 -4.740 -6.361 1.00 11.55 H new ATOM 0 HG13 VAL A 26 -2.274 -2.987 -6.092 1.00 11.55 H new ATOM 0 HG21 VAL A 26 -5.087 -2.661 -4.824 1.00 63.43 H new ATOM 0 HG22 VAL A 26 -4.457 -1.555 -6.068 1.00 63.43 H new ATOM 0 HG23 VAL A 26 -6.008 -2.390 -6.323 1.00 63.43 H new ATOM 410 N VAL A 27 -2.850 -4.255 -9.925 1.00 55.25 N ATOM 411 CA VAL A 27 -2.144 -5.251 -10.712 1.00 60.24 C ATOM 412 C VAL A 27 -0.637 -5.010 -10.600 1.00 14.45 C ATOM 413 O VAL A 27 -0.206 -3.924 -10.213 1.00 34.43 O ATOM 414 CB VAL A 27 -2.646 -5.229 -12.157 1.00 74.34 C ATOM 415 CG1 VAL A 27 -4.175 -5.173 -12.206 1.00 25.42 C ATOM 416 CG2 VAL A 27 -2.030 -4.064 -12.935 1.00 30.35 C ATOM 0 H VAL A 27 -2.847 -3.316 -10.324 1.00 55.25 H new ATOM 0 HA VAL A 27 -2.343 -6.251 -10.328 1.00 60.24 H new ATOM 0 HB VAL A 27 -2.329 -6.156 -12.635 1.00 74.34 H new ATOM 0 HG11 VAL A 27 -4.505 -5.158 -13.245 1.00 25.42 H new ATOM 0 HG12 VAL A 27 -4.587 -6.050 -11.706 1.00 25.42 H new ATOM 0 HG13 VAL A 27 -4.522 -4.271 -11.702 1.00 25.42 H new ATOM 0 HG21 VAL A 27 -2.404 -4.072 -13.959 1.00 30.35 H new ATOM 0 HG22 VAL A 27 -2.302 -3.123 -12.457 1.00 30.35 H new ATOM 0 HG23 VAL A 27 -0.945 -4.166 -12.944 1.00 30.35 H new ATOM 426 N SER A 28 0.122 -6.039 -10.944 1.00 41.03 N ATOM 427 CA SER A 28 1.571 -5.952 -10.887 1.00 24.25 C ATOM 428 C SER A 28 2.178 -6.441 -12.203 1.00 72.33 C ATOM 429 O SER A 28 1.757 -7.463 -12.743 1.00 21.41 O ATOM 430 CB SER A 28 2.125 -6.763 -9.713 1.00 64.25 C ATOM 431 OG SER A 28 3.518 -6.534 -9.517 1.00 21.25 O ATOM 0 H SER A 28 -0.239 -6.938 -11.263 1.00 41.03 H new ATOM 0 HA SER A 28 1.845 -4.908 -10.735 1.00 24.25 H new ATOM 0 HB2 SER A 28 1.583 -6.502 -8.804 1.00 64.25 H new ATOM 0 HB3 SER A 28 1.954 -7.824 -9.892 1.00 64.25 H new ATOM 0 HG SER A 28 3.834 -7.068 -8.758 1.00 21.25 H new ATOM 437 N PRO A 29 3.183 -5.668 -12.695 1.00 72.34 N ATOM 438 CA PRO A 29 3.620 -4.474 -11.994 1.00 3.33 C ATOM 439 C PRO A 29 2.613 -3.335 -12.168 1.00 32.41 C ATOM 440 O PRO A 29 1.889 -3.289 -13.161 1.00 72.13 O ATOM 441 CB PRO A 29 4.986 -4.152 -12.578 1.00 23.44 C ATOM 442 CG PRO A 29 5.060 -4.898 -13.900 1.00 23.40 C ATOM 443 CD PRO A 29 3.926 -5.910 -13.928 1.00 65.33 C ATOM 0 HA PRO A 29 3.686 -4.621 -10.916 1.00 3.33 H new ATOM 0 HB2 PRO A 29 5.104 -3.079 -12.728 1.00 23.44 H new ATOM 0 HB3 PRO A 29 5.783 -4.469 -11.905 1.00 23.44 H new ATOM 0 HG2 PRO A 29 4.973 -4.204 -14.736 1.00 23.40 H new ATOM 0 HG3 PRO A 29 6.022 -5.400 -14.002 1.00 23.40 H new ATOM 0 HD2 PRO A 29 3.294 -5.772 -14.805 1.00 65.33 H new ATOM 0 HD3 PRO A 29 4.307 -6.931 -13.967 1.00 65.33 H new ATOM 451 N THR A 30 2.599 -2.445 -11.187 1.00 34.11 N ATOM 452 CA THR A 30 1.692 -1.310 -11.219 1.00 61.03 C ATOM 453 C THR A 30 2.082 -0.348 -12.343 1.00 70.13 C ATOM 454 O THR A 30 3.184 0.198 -12.344 1.00 21.15 O ATOM 455 CB THR A 30 1.698 -0.660 -9.834 1.00 61.41 C ATOM 456 OG1 THR A 30 3.077 -0.613 -9.479 1.00 22.32 O ATOM 457 CG2 THR A 30 1.068 -1.555 -8.765 1.00 22.31 C ATOM 0 H THR A 30 3.201 -2.487 -10.365 1.00 34.11 H new ATOM 0 HA THR A 30 0.672 -1.625 -11.441 1.00 61.03 H new ATOM 0 HB THR A 30 1.162 0.288 -9.875 1.00 61.41 H new ATOM 0 HG1 THR A 30 3.614 -0.420 -10.276 1.00 22.32 H new ATOM 0 HG21 THR A 30 1.098 -1.047 -7.801 1.00 22.31 H new ATOM 0 HG22 THR A 30 0.033 -1.767 -9.032 1.00 22.31 H new ATOM 0 HG23 THR A 30 1.624 -2.490 -8.699 1.00 22.31 H new ATOM 465 N GLY A 31 1.156 -0.170 -13.274 1.00 61.11 N ATOM 466 CA GLY A 31 1.389 0.716 -14.402 1.00 1.54 C ATOM 467 C GLY A 31 0.794 2.102 -14.142 1.00 21.02 C ATOM 468 O GLY A 31 0.731 2.550 -12.998 1.00 33.31 O ATOM 0 H GLY A 31 0.243 -0.624 -13.270 1.00 61.11 H new ATOM 0 HA2 GLY A 31 2.460 0.804 -14.585 1.00 1.54 H new ATOM 0 HA3 GLY A 31 0.946 0.289 -15.302 1.00 1.54 H new ATOM 472 N ILE A 32 0.373 2.742 -15.223 1.00 2.23 N ATOM 473 CA ILE A 32 -0.214 4.068 -15.126 1.00 75.41 C ATOM 474 C ILE A 32 -1.127 4.128 -13.899 1.00 50.05 C ATOM 475 O ILE A 32 -1.814 3.158 -13.584 1.00 21.30 O ATOM 476 CB ILE A 32 -0.917 4.439 -16.434 1.00 5.02 C ATOM 477 CG1 ILE A 32 0.082 4.513 -17.590 1.00 43.05 C ATOM 478 CG2 ILE A 32 -1.712 5.737 -16.280 1.00 32.35 C ATOM 479 CD1 ILE A 32 -0.628 4.369 -18.938 1.00 63.01 C ATOM 0 H ILE A 32 0.427 2.367 -16.170 1.00 2.23 H new ATOM 0 HA ILE A 32 0.563 4.819 -14.983 1.00 75.41 H new ATOM 0 HB ILE A 32 -1.631 3.651 -16.674 1.00 5.02 H new ATOM 0 HG12 ILE A 32 0.614 5.463 -17.555 1.00 43.05 H new ATOM 0 HG13 ILE A 32 0.828 3.726 -17.482 1.00 43.05 H new ATOM 0 HG21 ILE A 32 -2.202 5.978 -17.224 1.00 32.35 H new ATOM 0 HG22 ILE A 32 -2.465 5.612 -15.502 1.00 32.35 H new ATOM 0 HG23 ILE A 32 -1.036 6.547 -16.005 1.00 32.35 H new ATOM 0 HD11 ILE A 32 0.105 4.425 -19.743 1.00 63.01 H new ATOM 0 HD12 ILE A 32 -1.139 3.407 -18.979 1.00 63.01 H new ATOM 0 HD13 ILE A 32 -1.356 5.172 -19.053 1.00 63.01 H new ATOM 491 N PRO A 33 -1.104 5.308 -13.224 1.00 20.14 N ATOM 492 CA PRO A 33 -1.921 5.508 -12.039 1.00 23.44 C ATOM 493 C PRO A 33 -3.390 5.711 -12.413 1.00 52.23 C ATOM 494 O PRO A 33 -3.695 6.221 -13.490 1.00 41.04 O ATOM 495 CB PRO A 33 -1.313 6.713 -11.341 1.00 11.44 C ATOM 496 CG PRO A 33 -0.475 7.424 -12.391 1.00 11.42 C ATOM 497 CD PRO A 33 -0.303 6.479 -13.568 1.00 62.22 C ATOM 0 HA PRO A 33 -1.923 4.641 -11.378 1.00 23.44 H new ATOM 0 HB2 PRO A 33 -2.089 7.371 -10.950 1.00 11.44 H new ATOM 0 HB3 PRO A 33 -0.699 6.405 -10.494 1.00 11.44 H new ATOM 0 HG2 PRO A 33 -0.963 8.345 -12.709 1.00 11.42 H new ATOM 0 HG3 PRO A 33 0.495 7.703 -11.980 1.00 11.42 H new ATOM 0 HD2 PRO A 33 -0.647 6.936 -14.496 1.00 62.22 H new ATOM 0 HD3 PRO A 33 0.744 6.214 -13.713 1.00 62.22 H new ATOM 505 N ALA A 34 -4.262 5.302 -11.503 1.00 41.42 N ATOM 506 CA ALA A 34 -5.692 5.434 -11.725 1.00 20.45 C ATOM 507 C ALA A 34 -6.054 6.917 -11.826 1.00 20.32 C ATOM 508 O ALA A 34 -7.157 7.263 -12.246 1.00 31.15 O ATOM 509 CB ALA A 34 -6.450 4.724 -10.601 1.00 21.12 C ATOM 0 H ALA A 34 -4.006 4.879 -10.611 1.00 41.42 H new ATOM 0 HA ALA A 34 -5.980 4.960 -12.663 1.00 20.45 H new ATOM 0 HB1 ALA A 34 -7.523 4.823 -10.767 1.00 21.12 H new ATOM 0 HB2 ALA A 34 -6.180 3.668 -10.591 1.00 21.12 H new ATOM 0 HB3 ALA A 34 -6.188 5.175 -9.644 1.00 21.12 H new ATOM 515 N GLU A 35 -5.104 7.753 -11.434 1.00 61.01 N ATOM 516 CA GLU A 35 -5.309 9.191 -11.475 1.00 62.15 C ATOM 517 C GLU A 35 -5.092 9.717 -12.896 1.00 11.34 C ATOM 518 O GLU A 35 -5.410 10.869 -13.190 1.00 20.51 O ATOM 519 CB GLU A 35 -4.391 9.904 -10.480 1.00 54.44 C ATOM 520 CG GLU A 35 -2.957 9.974 -11.009 1.00 55.34 C ATOM 521 CD GLU A 35 -1.948 9.970 -9.860 1.00 11.24 C ATOM 522 OE1 GLU A 35 -0.932 9.263 -9.929 1.00 70.21 O ATOM 523 OE2 GLU A 35 -2.249 10.738 -8.868 1.00 3.05 O ATOM 0 H GLU A 35 -4.190 7.462 -11.086 1.00 61.01 H new ATOM 0 HA GLU A 35 -6.338 9.401 -11.184 1.00 62.15 H new ATOM 0 HB2 GLU A 35 -4.763 10.911 -10.294 1.00 54.44 H new ATOM 0 HB3 GLU A 35 -4.405 9.378 -9.526 1.00 54.44 H new ATOM 0 HG2 GLU A 35 -2.767 9.127 -11.668 1.00 55.34 H new ATOM 0 HG3 GLU A 35 -2.830 10.877 -11.606 1.00 55.34 H new ATOM 531 N ASP A 36 -4.553 8.849 -13.738 1.00 44.04 N ATOM 532 CA ASP A 36 -4.290 9.212 -15.121 1.00 3.04 C ATOM 533 C ASP A 36 -5.403 8.655 -16.010 1.00 61.02 C ATOM 534 O ASP A 36 -5.458 8.954 -17.202 1.00 60.21 O ATOM 535 CB ASP A 36 -2.962 8.624 -15.601 1.00 44.24 C ATOM 536 CG ASP A 36 -2.217 9.470 -16.636 1.00 4.31 C ATOM 537 OD1 ASP A 36 -2.475 9.374 -17.845 1.00 4.11 O ATOM 538 OD2 ASP A 36 -1.325 10.266 -16.149 1.00 53.05 O ATOM 0 H ASP A 36 -4.291 7.895 -13.490 1.00 44.04 H new ATOM 0 HA ASP A 36 -4.246 10.299 -15.182 1.00 3.04 H new ATOM 0 HB2 ASP A 36 -2.313 8.479 -14.737 1.00 44.24 H new ATOM 0 HB3 ASP A 36 -3.151 7.639 -16.027 1.00 44.24 H new ATOM 544 N ILE A 37 -6.262 7.855 -15.397 1.00 35.04 N ATOM 545 CA ILE A 37 -7.371 7.253 -16.118 1.00 51.40 C ATOM 546 C ILE A 37 -8.139 8.345 -16.867 1.00 20.34 C ATOM 547 O ILE A 37 -8.424 8.205 -18.055 1.00 21.52 O ATOM 548 CB ILE A 37 -8.243 6.428 -15.169 1.00 50.43 C ATOM 549 CG1 ILE A 37 -7.774 4.973 -15.120 1.00 74.32 C ATOM 550 CG2 ILE A 37 -9.722 6.542 -15.545 1.00 42.23 C ATOM 551 CD1 ILE A 37 -8.774 4.100 -14.358 1.00 41.40 C ATOM 0 H ILE A 37 -6.213 7.609 -14.408 1.00 35.04 H new ATOM 0 HA ILE A 37 -7.003 6.551 -16.866 1.00 51.40 H new ATOM 0 HB ILE A 37 -8.135 6.835 -14.164 1.00 50.43 H new ATOM 0 HG12 ILE A 37 -7.652 4.592 -16.134 1.00 74.32 H new ATOM 0 HG13 ILE A 37 -6.797 4.918 -14.639 1.00 74.32 H new ATOM 0 HG21 ILE A 37 -10.320 5.946 -14.855 1.00 42.23 H new ATOM 0 HG22 ILE A 37 -10.033 7.585 -15.487 1.00 42.23 H new ATOM 0 HG23 ILE A 37 -9.868 6.176 -16.561 1.00 42.23 H new ATOM 0 HD11 ILE A 37 -8.417 3.070 -14.338 1.00 41.40 H new ATOM 0 HD12 ILE A 37 -8.875 4.469 -13.337 1.00 41.40 H new ATOM 0 HD13 ILE A 37 -9.743 4.138 -14.855 1.00 41.40 H new ATOM 563 N PRO A 38 -8.460 9.436 -16.121 1.00 34.21 N ATOM 564 CA PRO A 38 -9.190 10.550 -16.701 1.00 43.43 C ATOM 565 C PRO A 38 -8.282 11.390 -17.602 1.00 3.41 C ATOM 566 O PRO A 38 -8.752 12.286 -18.301 1.00 51.41 O ATOM 567 CB PRO A 38 -9.731 11.328 -15.513 1.00 30.13 C ATOM 568 CG PRO A 38 -8.902 10.890 -14.316 1.00 14.11 C ATOM 569 CD PRO A 38 -8.139 9.636 -14.711 1.00 13.41 C ATOM 0 HA PRO A 38 -10.003 10.227 -17.352 1.00 43.43 H new ATOM 0 HB2 PRO A 38 -9.643 12.402 -15.677 1.00 30.13 H new ATOM 0 HB3 PRO A 38 -10.788 11.115 -15.355 1.00 30.13 H new ATOM 0 HG2 PRO A 38 -8.211 11.680 -14.020 1.00 14.11 H new ATOM 0 HG3 PRO A 38 -9.545 10.691 -13.459 1.00 14.11 H new ATOM 0 HD2 PRO A 38 -7.066 9.762 -14.563 1.00 13.41 H new ATOM 0 HD3 PRO A 38 -8.445 8.780 -14.110 1.00 13.41 H new ATOM 577 N ARG A 39 -6.997 11.071 -17.556 1.00 22.23 N ATOM 578 CA ARG A 39 -6.019 11.785 -18.359 1.00 24.32 C ATOM 579 C ARG A 39 -5.717 11.008 -19.642 1.00 61.10 C ATOM 580 O ARG A 39 -5.239 11.580 -20.620 1.00 45.12 O ATOM 581 CB ARG A 39 -4.718 11.998 -17.582 1.00 20.41 C ATOM 582 CG ARG A 39 -4.914 13.009 -16.450 1.00 74.44 C ATOM 583 CD ARG A 39 -3.707 13.022 -15.511 1.00 45.24 C ATOM 584 NE ARG A 39 -2.684 13.965 -16.016 1.00 43.30 N ATOM 585 CZ ARG A 39 -1.772 13.657 -16.963 1.00 3.44 C ATOM 586 NH1 ARG A 39 -1.748 12.426 -17.516 1.00 44.41 N ATOM 587 NH2 ARG A 39 -0.904 14.578 -17.339 1.00 2.23 N ATOM 0 H ARG A 39 -6.610 10.327 -16.975 1.00 22.23 H new ATOM 0 HA ARG A 39 -6.442 12.758 -18.610 1.00 24.32 H new ATOM 0 HB2 ARG A 39 -4.376 11.048 -17.171 1.00 20.41 H new ATOM 0 HB3 ARG A 39 -3.940 12.351 -18.259 1.00 20.41 H new ATOM 0 HG2 ARG A 39 -5.064 14.004 -16.869 1.00 74.44 H new ATOM 0 HG3 ARG A 39 -5.814 12.761 -15.888 1.00 74.44 H new ATOM 0 HD2 ARG A 39 -4.019 13.314 -14.508 1.00 45.24 H new ATOM 0 HD3 ARG A 39 -3.284 12.020 -15.435 1.00 45.24 H new ATOM 0 HE ARG A 39 -2.667 14.907 -15.624 1.00 43.30 H new ATOM 0 HH11 ARG A 39 -2.422 11.720 -17.219 1.00 44.41 H new ATOM 0 HH12 ARG A 39 -1.056 12.201 -18.231 1.00 44.41 H new ATOM 0 HH21 ARG A 39 -0.929 15.506 -16.915 1.00 2.23 H new ATOM 0 HH22 ARG A 39 -0.208 14.362 -18.053 1.00 2.23 H new ATOM 600 N LEU A 40 -6.009 9.716 -19.597 1.00 2.44 N ATOM 601 CA LEU A 40 -5.775 8.855 -20.743 1.00 44.44 C ATOM 602 C LEU A 40 -6.944 8.986 -21.721 1.00 51.42 C ATOM 603 O LEU A 40 -6.788 8.743 -22.917 1.00 35.32 O ATOM 604 CB LEU A 40 -5.511 7.418 -20.289 1.00 45.44 C ATOM 605 CG LEU A 40 -4.286 7.212 -19.395 1.00 74.21 C ATOM 606 CD1 LEU A 40 -4.462 5.983 -18.501 1.00 11.25 C ATOM 607 CD2 LEU A 40 -3.005 7.136 -20.228 1.00 73.31 C ATOM 0 H LEU A 40 -6.406 9.245 -18.784 1.00 2.44 H new ATOM 0 HA LEU A 40 -4.877 9.166 -21.276 1.00 44.44 H new ATOM 0 HB2 LEU A 40 -6.391 7.059 -19.755 1.00 45.44 H new ATOM 0 HB3 LEU A 40 -5.399 6.793 -21.175 1.00 45.44 H new ATOM 0 HG LEU A 40 -4.192 8.078 -18.739 1.00 74.21 H new ATOM 0 HD11 LEU A 40 -3.578 5.858 -17.876 1.00 11.25 H new ATOM 0 HD12 LEU A 40 -5.339 6.116 -17.868 1.00 11.25 H new ATOM 0 HD13 LEU A 40 -4.595 5.097 -19.122 1.00 11.25 H new ATOM 0 HD21 LEU A 40 -2.150 6.989 -19.568 1.00 73.31 H new ATOM 0 HD22 LEU A 40 -3.073 6.300 -20.925 1.00 73.31 H new ATOM 0 HD23 LEU A 40 -2.878 8.064 -20.786 1.00 73.31 H new ATOM 619 N ILE A 41 -8.089 9.371 -21.176 1.00 60.15 N ATOM 620 CA ILE A 41 -9.284 9.537 -21.986 1.00 13.12 C ATOM 621 C ILE A 41 -8.977 10.475 -23.155 1.00 11.54 C ATOM 622 O ILE A 41 -8.333 11.508 -22.974 1.00 33.12 O ATOM 623 CB ILE A 41 -10.458 9.998 -21.119 1.00 72.24 C ATOM 624 CG1 ILE A 41 -10.622 9.096 -19.894 1.00 52.31 C ATOM 625 CG2 ILE A 41 -11.745 10.087 -21.942 1.00 71.42 C ATOM 626 CD1 ILE A 41 -12.054 9.156 -19.357 1.00 43.02 C ATOM 0 H ILE A 41 -8.214 9.573 -20.184 1.00 60.15 H new ATOM 0 HA ILE A 41 -9.589 8.583 -22.415 1.00 13.12 H new ATOM 0 HB ILE A 41 -10.240 11.001 -20.753 1.00 72.24 H new ATOM 0 HG12 ILE A 41 -10.372 8.069 -20.158 1.00 52.31 H new ATOM 0 HG13 ILE A 41 -9.924 9.404 -19.115 1.00 52.31 H new ATOM 0 HG21 ILE A 41 -12.564 10.417 -21.302 1.00 71.42 H new ATOM 0 HG22 ILE A 41 -11.609 10.801 -22.754 1.00 71.42 H new ATOM 0 HG23 ILE A 41 -11.980 9.107 -22.356 1.00 71.42 H new ATOM 0 HD11 ILE A 41 -12.144 8.506 -18.487 1.00 43.02 H new ATOM 0 HD12 ILE A 41 -12.293 10.180 -19.071 1.00 43.02 H new ATOM 0 HD13 ILE A 41 -12.747 8.824 -20.130 1.00 43.02 H new ATOM 638 N SER A 42 -9.452 10.083 -24.328 1.00 20.05 N ATOM 639 CA SER A 42 -9.236 10.876 -25.526 1.00 12.13 C ATOM 640 C SER A 42 -7.877 10.536 -26.141 1.00 31.04 C ATOM 641 O SER A 42 -7.582 10.939 -27.265 1.00 3.35 O ATOM 642 CB SER A 42 -9.320 12.372 -25.218 1.00 50.52 C ATOM 643 OG SER A 42 -9.779 13.123 -26.339 1.00 43.04 O ATOM 0 H SER A 42 -9.986 9.226 -24.474 1.00 20.05 H new ATOM 0 HA SER A 42 -10.022 10.635 -26.242 1.00 12.13 H new ATOM 0 HB2 SER A 42 -9.992 12.531 -24.375 1.00 50.52 H new ATOM 0 HB3 SER A 42 -8.338 12.736 -24.916 1.00 50.52 H new ATOM 0 HG SER A 42 -9.820 14.073 -26.102 1.00 43.04 H new ATOM 649 N MET A 43 -7.086 9.797 -25.377 1.00 0.35 N ATOM 650 CA MET A 43 -5.765 9.398 -25.832 1.00 51.31 C ATOM 651 C MET A 43 -5.778 7.962 -26.360 1.00 42.32 C ATOM 652 O MET A 43 -6.286 7.058 -25.699 1.00 0.33 O ATOM 653 CB MET A 43 -4.771 9.508 -24.674 1.00 60.23 C ATOM 654 CG MET A 43 -4.983 10.804 -23.890 1.00 53.42 C ATOM 655 SD MET A 43 -3.423 11.399 -23.260 1.00 42.43 S ATOM 656 CE MET A 43 -2.650 9.849 -22.832 1.00 63.52 C ATOM 0 H MET A 43 -7.335 9.464 -24.446 1.00 0.35 H new ATOM 0 HA MET A 43 -5.465 10.061 -26.644 1.00 51.31 H new ATOM 0 HB2 MET A 43 -4.887 8.653 -24.008 1.00 60.23 H new ATOM 0 HB3 MET A 43 -3.752 9.475 -25.060 1.00 60.23 H new ATOM 0 HG2 MET A 43 -5.436 11.558 -24.534 1.00 53.42 H new ATOM 0 HG3 MET A 43 -5.675 10.631 -23.066 1.00 53.42 H new ATOM 0 HE1 MET A 43 -2.041 9.981 -21.938 1.00 63.52 H new ATOM 0 HE2 MET A 43 -3.418 9.100 -22.641 1.00 63.52 H new ATOM 0 HE3 MET A 43 -2.018 9.518 -23.656 1.00 63.52 H new ATOM 666 N GLN A 44 -5.213 7.797 -27.547 1.00 43.21 N ATOM 667 CA GLN A 44 -5.153 6.487 -28.172 1.00 24.44 C ATOM 668 C GLN A 44 -3.897 5.739 -27.718 1.00 0.43 C ATOM 669 O GLN A 44 -2.888 6.359 -27.385 1.00 0.05 O ATOM 670 CB GLN A 44 -5.200 6.603 -29.696 1.00 51.13 C ATOM 671 CG GLN A 44 -6.371 7.481 -30.143 1.00 72.40 C ATOM 672 CD GLN A 44 -6.152 8.007 -31.563 1.00 22.31 C ATOM 673 OE1 GLN A 44 -5.686 9.114 -31.777 1.00 65.43 O ATOM 674 NE2 GLN A 44 -6.513 7.154 -32.518 1.00 24.04 N ATOM 0 H GLN A 44 -4.793 8.549 -28.093 1.00 43.21 H new ATOM 0 HA GLN A 44 -6.027 5.916 -27.857 1.00 24.44 H new ATOM 0 HB2 GLN A 44 -4.264 7.025 -30.061 1.00 51.13 H new ATOM 0 HB3 GLN A 44 -5.296 5.611 -30.137 1.00 51.13 H new ATOM 0 HG2 GLN A 44 -7.297 6.907 -30.103 1.00 72.40 H new ATOM 0 HG3 GLN A 44 -6.485 8.319 -29.455 1.00 72.40 H new ATOM 0 HE21 GLN A 44 -6.897 6.242 -32.269 1.00 24.04 H new ATOM 0 HE22 GLN A 44 -6.406 7.412 -33.499 1.00 24.04 H new ATOM 683 N VAL A 45 -4.000 4.419 -27.719 1.00 71.53 N ATOM 684 CA VAL A 45 -2.885 3.580 -27.312 1.00 13.32 C ATOM 685 C VAL A 45 -1.959 3.354 -28.508 1.00 71.13 C ATOM 686 O VAL A 45 -2.371 3.517 -29.656 1.00 25.21 O ATOM 687 CB VAL A 45 -3.406 2.276 -26.704 1.00 0.44 C ATOM 688 CG1 VAL A 45 -3.964 2.511 -25.299 1.00 2.25 C ATOM 689 CG2 VAL A 45 -4.456 1.630 -27.610 1.00 23.34 C ATOM 0 H VAL A 45 -4.839 3.909 -27.995 1.00 71.53 H new ATOM 0 HA VAL A 45 -2.299 4.073 -26.536 1.00 13.32 H new ATOM 0 HB VAL A 45 -2.566 1.586 -26.620 1.00 0.44 H new ATOM 0 HG11 VAL A 45 -4.328 1.569 -24.890 1.00 2.25 H new ATOM 0 HG12 VAL A 45 -3.177 2.906 -24.656 1.00 2.25 H new ATOM 0 HG13 VAL A 45 -4.785 3.226 -25.349 1.00 2.25 H new ATOM 0 HG21 VAL A 45 -4.810 0.705 -27.155 1.00 23.34 H new ATOM 0 HG22 VAL A 45 -5.294 2.314 -27.740 1.00 23.34 H new ATOM 0 HG23 VAL A 45 -4.013 1.410 -28.581 1.00 23.34 H new ATOM 699 N ASN A 46 -0.726 2.982 -28.199 1.00 24.10 N ATOM 700 CA ASN A 46 0.262 2.731 -29.235 1.00 4.54 C ATOM 701 C ASN A 46 0.557 1.232 -29.300 1.00 64.40 C ATOM 702 O ASN A 46 1.668 0.828 -29.642 1.00 52.11 O ATOM 703 CB ASN A 46 1.574 3.458 -28.932 1.00 1.53 C ATOM 704 CG ASN A 46 2.230 2.902 -27.666 1.00 70.24 C ATOM 705 OD1 ASN A 46 2.330 1.703 -27.464 1.00 64.21 O ATOM 706 ND2 ASN A 46 2.669 3.837 -26.829 1.00 25.42 N ATOM 0 H ASN A 46 -0.388 2.848 -27.246 1.00 24.10 H new ATOM 0 HA ASN A 46 -0.142 3.093 -30.181 1.00 4.54 H new ATOM 0 HB2 ASN A 46 2.256 3.352 -29.776 1.00 1.53 H new ATOM 0 HB3 ASN A 46 1.383 4.524 -28.809 1.00 1.53 H new ATOM 0 HD21 ASN A 46 3.122 3.568 -25.956 1.00 25.42 H new ATOM 0 HD22 ASN A 46 2.553 4.824 -27.060 1.00 25.42 H new ATOM 713 N GLN A 47 -0.456 0.447 -28.967 1.00 35.44 N ATOM 714 CA GLN A 47 -0.320 -1.000 -28.983 1.00 42.02 C ATOM 715 C GLN A 47 -1.653 -1.663 -28.631 1.00 21.12 C ATOM 716 O GLN A 47 -2.498 -1.056 -27.975 1.00 52.14 O ATOM 717 CB GLN A 47 0.788 -1.457 -28.032 1.00 42.04 C ATOM 718 CG GLN A 47 0.645 -2.943 -27.697 1.00 15.21 C ATOM 719 CD GLN A 47 1.842 -3.440 -26.884 1.00 51.41 C ATOM 720 OE1 GLN A 47 2.168 -2.651 -25.864 1.00 5.14 O flip ATOM 721 NE2 GLN A 47 2.430 -4.471 -27.165 1.00 43.33 N flip ATOM 0 H GLN A 47 -1.376 0.785 -28.684 1.00 35.44 H new ATOM 0 HA GLN A 47 -0.039 -1.308 -29.990 1.00 42.02 H new ATOM 0 HB2 GLN A 47 1.761 -1.275 -28.488 1.00 42.04 H new ATOM 0 HB3 GLN A 47 0.751 -0.869 -27.115 1.00 42.04 H new ATOM 0 HG2 GLN A 47 -0.274 -3.106 -27.134 1.00 15.21 H new ATOM 0 HG3 GLN A 47 0.561 -3.520 -28.618 1.00 15.21 H new ATOM 0 HE21 GLN A 47 2.127 -5.030 -27.963 1.00 43.33 H new ATOM 0 HE22 GLN A 47 3.225 -4.774 -26.602 1.00 43.33 H new ATOM 730 N VAL A 48 -1.799 -2.900 -29.081 1.00 72.45 N ATOM 731 CA VAL A 48 -3.015 -3.653 -28.822 1.00 10.41 C ATOM 732 C VAL A 48 -3.000 -4.156 -27.377 1.00 44.31 C ATOM 733 O VAL A 48 -2.404 -5.191 -27.083 1.00 4.43 O ATOM 734 CB VAL A 48 -3.162 -4.780 -29.846 1.00 3.10 C ATOM 735 CG1 VAL A 48 -3.999 -5.928 -29.281 1.00 34.54 C ATOM 736 CG2 VAL A 48 -3.759 -4.258 -31.154 1.00 42.33 C ATOM 0 H VAL A 48 -1.095 -3.400 -29.624 1.00 72.45 H new ATOM 0 HA VAL A 48 -3.891 -3.014 -28.935 1.00 10.41 H new ATOM 0 HB VAL A 48 -2.166 -5.167 -30.063 1.00 3.10 H new ATOM 0 HG11 VAL A 48 -4.088 -6.716 -30.029 1.00 34.54 H new ATOM 0 HG12 VAL A 48 -3.515 -6.327 -28.390 1.00 34.54 H new ATOM 0 HG13 VAL A 48 -4.992 -5.561 -29.021 1.00 34.54 H new ATOM 0 HG21 VAL A 48 -3.853 -5.079 -31.864 1.00 42.33 H new ATOM 0 HG22 VAL A 48 -4.743 -3.832 -30.960 1.00 42.33 H new ATOM 0 HG23 VAL A 48 -3.107 -3.490 -31.571 1.00 42.33 H new ATOM 746 N VAL A 49 -3.662 -3.400 -26.514 1.00 13.11 N ATOM 747 CA VAL A 49 -3.732 -3.756 -25.107 1.00 33.21 C ATOM 748 C VAL A 49 -5.013 -4.553 -24.850 1.00 40.02 C ATOM 749 O VAL A 49 -6.115 -4.025 -24.990 1.00 32.33 O ATOM 750 CB VAL A 49 -3.628 -2.498 -24.243 1.00 3.03 C ATOM 751 CG1 VAL A 49 -3.729 -2.844 -22.756 1.00 35.21 C ATOM 752 CG2 VAL A 49 -2.336 -1.734 -24.541 1.00 20.03 C ATOM 0 H VAL A 49 -4.155 -2.542 -26.762 1.00 13.11 H new ATOM 0 HA VAL A 49 -2.892 -4.393 -24.832 1.00 33.21 H new ATOM 0 HB VAL A 49 -4.467 -1.849 -24.494 1.00 3.03 H new ATOM 0 HG11 VAL A 49 -3.652 -1.932 -22.164 1.00 35.21 H new ATOM 0 HG12 VAL A 49 -4.687 -3.325 -22.559 1.00 35.21 H new ATOM 0 HG13 VAL A 49 -2.920 -3.522 -22.484 1.00 35.21 H new ATOM 0 HG21 VAL A 49 -2.287 -0.844 -23.914 1.00 20.03 H new ATOM 0 HG22 VAL A 49 -1.479 -2.374 -24.332 1.00 20.03 H new ATOM 0 HG23 VAL A 49 -2.321 -1.439 -25.590 1.00 20.03 H new ATOM 762 N PRO A 50 -4.820 -5.844 -24.470 1.00 21.33 N ATOM 763 CA PRO A 50 -5.946 -6.719 -24.192 1.00 73.22 C ATOM 764 C PRO A 50 -6.584 -6.381 -22.843 1.00 52.33 C ATOM 765 O PRO A 50 -5.937 -5.795 -21.976 1.00 75.22 O ATOM 766 CB PRO A 50 -5.373 -8.126 -24.242 1.00 33.10 C ATOM 767 CG PRO A 50 -3.870 -7.970 -24.084 1.00 4.41 C ATOM 768 CD PRO A 50 -3.529 -6.503 -24.294 1.00 60.31 C ATOM 0 HA PRO A 50 -6.754 -6.606 -24.915 1.00 73.22 H new ATOM 0 HB2 PRO A 50 -5.787 -8.745 -23.446 1.00 33.10 H new ATOM 0 HB3 PRO A 50 -5.618 -8.614 -25.185 1.00 33.10 H new ATOM 0 HG2 PRO A 50 -3.554 -8.297 -23.093 1.00 4.41 H new ATOM 0 HG3 PRO A 50 -3.343 -8.592 -24.808 1.00 4.41 H new ATOM 0 HD2 PRO A 50 -2.990 -6.095 -23.439 1.00 60.31 H new ATOM 0 HD3 PRO A 50 -2.892 -6.366 -25.168 1.00 60.31 H new ATOM 776 N MET A 51 -7.845 -6.764 -22.708 1.00 53.14 N ATOM 777 CA MET A 51 -8.578 -6.509 -21.480 1.00 2.42 C ATOM 778 C MET A 51 -7.879 -7.153 -20.281 1.00 33.31 C ATOM 779 O MET A 51 -7.700 -8.370 -20.243 1.00 10.43 O ATOM 780 CB MET A 51 -9.996 -7.067 -21.606 1.00 35.45 C ATOM 781 CG MET A 51 -10.775 -6.885 -20.301 1.00 72.01 C ATOM 782 SD MET A 51 -12.152 -8.019 -20.249 1.00 33.45 S ATOM 783 CE MET A 51 -12.586 -8.061 -21.980 1.00 24.54 C ATOM 0 H MET A 51 -8.378 -7.249 -23.430 1.00 53.14 H new ATOM 0 HA MET A 51 -8.616 -5.432 -21.319 1.00 2.42 H new ATOM 0 HB2 MET A 51 -10.518 -6.562 -22.419 1.00 35.45 H new ATOM 0 HB3 MET A 51 -9.953 -8.125 -21.863 1.00 35.45 H new ATOM 0 HG2 MET A 51 -10.118 -7.058 -19.449 1.00 72.01 H new ATOM 0 HG3 MET A 51 -11.135 -5.859 -20.223 1.00 72.01 H new ATOM 0 HE1 MET A 51 -13.561 -8.534 -22.099 1.00 24.54 H new ATOM 0 HE2 MET A 51 -12.626 -7.044 -22.370 1.00 24.54 H new ATOM 0 HE3 MET A 51 -11.837 -8.631 -22.529 1.00 24.54 H new ATOM 793 N GLY A 52 -7.504 -6.309 -19.331 1.00 61.31 N ATOM 794 CA GLY A 52 -6.829 -6.782 -18.134 1.00 40.41 C ATOM 795 C GLY A 52 -5.345 -6.410 -18.158 1.00 50.25 C ATOM 796 O GLY A 52 -4.670 -6.467 -17.132 1.00 31.33 O ATOM 0 H GLY A 52 -7.655 -5.301 -19.366 1.00 61.31 H new ATOM 0 HA2 GLY A 52 -7.301 -6.351 -17.251 1.00 40.41 H new ATOM 0 HA3 GLY A 52 -6.935 -7.864 -18.056 1.00 40.41 H new ATOM 800 N THR A 53 -4.881 -6.037 -19.342 1.00 4.21 N ATOM 801 CA THR A 53 -3.489 -5.656 -19.513 1.00 41.35 C ATOM 802 C THR A 53 -3.245 -4.257 -18.944 1.00 52.44 C ATOM 803 O THR A 53 -3.793 -3.275 -19.444 1.00 34.22 O ATOM 804 CB THR A 53 -3.146 -5.775 -21.000 1.00 23.54 C ATOM 805 OG1 THR A 53 -3.157 -7.179 -21.246 1.00 50.25 O ATOM 806 CG2 THR A 53 -1.706 -5.355 -21.304 1.00 34.20 C ATOM 0 H THR A 53 -5.444 -5.991 -20.191 1.00 4.21 H new ATOM 0 HA THR A 53 -2.826 -6.319 -18.957 1.00 41.35 H new ATOM 0 HB THR A 53 -3.834 -5.161 -21.582 1.00 23.54 H new ATOM 0 HG1 THR A 53 -2.274 -7.462 -21.564 1.00 50.25 H new ATOM 0 HG21 THR A 53 -1.515 -5.458 -22.372 1.00 34.20 H new ATOM 0 HG22 THR A 53 -1.560 -4.316 -21.008 1.00 34.20 H new ATOM 0 HG23 THR A 53 -1.017 -5.991 -20.749 1.00 34.20 H new ATOM 814 N THR A 54 -2.422 -4.210 -17.907 1.00 51.43 N ATOM 815 CA THR A 54 -2.099 -2.947 -17.265 1.00 20.02 C ATOM 816 C THR A 54 -1.677 -1.910 -18.308 1.00 74.41 C ATOM 817 O THR A 54 -0.949 -2.229 -19.246 1.00 62.53 O ATOM 818 CB THR A 54 -1.027 -3.216 -16.207 1.00 44.52 C ATOM 819 OG1 THR A 54 -1.431 -4.443 -15.606 1.00 52.43 O ATOM 820 CG2 THR A 54 -1.071 -2.206 -15.059 1.00 11.34 C ATOM 0 H THR A 54 -1.969 -5.026 -17.495 1.00 51.43 H new ATOM 0 HA THR A 54 -2.970 -2.523 -16.766 1.00 20.02 H new ATOM 0 HB THR A 54 -0.043 -3.192 -16.674 1.00 44.52 H new ATOM 0 HG1 THR A 54 -0.664 -4.855 -15.156 1.00 52.43 H new ATOM 0 HG21 THR A 54 -0.290 -2.442 -14.336 1.00 11.34 H new ATOM 0 HG22 THR A 54 -0.910 -1.202 -15.451 1.00 11.34 H new ATOM 0 HG23 THR A 54 -2.044 -2.253 -14.570 1.00 11.34 H new ATOM 828 N LEU A 55 -2.154 -0.690 -18.109 1.00 61.22 N ATOM 829 CA LEU A 55 -1.836 0.395 -19.021 1.00 44.31 C ATOM 830 C LEU A 55 -0.501 1.023 -18.614 1.00 12.34 C ATOM 831 O LEU A 55 -0.295 1.347 -17.445 1.00 42.31 O ATOM 832 CB LEU A 55 -2.991 1.396 -19.087 1.00 73.34 C ATOM 833 CG LEU A 55 -3.048 2.273 -20.339 1.00 41.25 C ATOM 834 CD1 LEU A 55 -2.725 1.460 -21.594 1.00 70.42 C ATOM 835 CD2 LEU A 55 -4.398 2.985 -20.450 1.00 3.14 C ATOM 0 H LEU A 55 -2.758 -0.429 -17.330 1.00 61.22 H new ATOM 0 HA LEU A 55 -1.715 0.016 -20.036 1.00 44.31 H new ATOM 0 HB2 LEU A 55 -3.928 0.845 -19.011 1.00 73.34 H new ATOM 0 HB3 LEU A 55 -2.932 2.046 -18.214 1.00 73.34 H new ATOM 0 HG LEU A 55 -2.283 3.045 -20.249 1.00 41.25 H new ATOM 0 HD11 LEU A 55 -2.773 2.108 -22.469 1.00 70.42 H new ATOM 0 HD12 LEU A 55 -1.723 1.040 -21.507 1.00 70.42 H new ATOM 0 HD13 LEU A 55 -3.449 0.652 -21.701 1.00 70.42 H new ATOM 0 HD21 LEU A 55 -4.411 3.602 -21.349 1.00 3.14 H new ATOM 0 HD22 LEU A 55 -5.196 2.245 -20.506 1.00 3.14 H new ATOM 0 HD23 LEU A 55 -4.549 3.616 -19.575 1.00 3.14 H new ATOM 847 N MET A 56 0.370 1.176 -19.600 1.00 0.21 N ATOM 848 CA MET A 56 1.679 1.760 -19.359 1.00 32.43 C ATOM 849 C MET A 56 1.771 3.166 -19.955 1.00 34.24 C ATOM 850 O MET A 56 0.980 3.528 -20.824 1.00 13.30 O ATOM 851 CB MET A 56 2.757 0.870 -19.981 1.00 30.14 C ATOM 852 CG MET A 56 2.977 -0.392 -19.143 1.00 50.42 C ATOM 853 SD MET A 56 4.340 -0.147 -18.017 1.00 14.43 S ATOM 854 CE MET A 56 3.484 -0.299 -16.458 1.00 22.55 C ATOM 0 H MET A 56 0.195 0.906 -20.568 1.00 0.21 H new ATOM 0 HA MET A 56 1.831 1.832 -18.282 1.00 32.43 H new ATOM 0 HB2 MET A 56 2.465 0.592 -20.994 1.00 30.14 H new ATOM 0 HB3 MET A 56 3.691 1.426 -20.060 1.00 30.14 H new ATOM 0 HG2 MET A 56 2.072 -0.630 -18.585 1.00 50.42 H new ATOM 0 HG3 MET A 56 3.182 -1.241 -19.796 1.00 50.42 H new ATOM 0 HE1 MET A 56 4.078 0.165 -15.670 1.00 22.55 H new ATOM 0 HE2 MET A 56 2.516 0.199 -16.524 1.00 22.55 H new ATOM 0 HE3 MET A 56 3.335 -1.354 -16.226 1.00 22.55 H new ATOM 864 N PRO A 57 2.769 3.940 -19.450 1.00 73.22 N ATOM 865 CA PRO A 57 2.974 5.298 -19.923 1.00 43.13 C ATOM 866 C PRO A 57 3.623 5.304 -21.309 1.00 21.10 C ATOM 867 O PRO A 57 3.505 6.279 -22.050 1.00 30.15 O ATOM 868 CB PRO A 57 3.837 5.958 -18.861 1.00 3.54 C ATOM 869 CG PRO A 57 4.467 4.823 -18.070 1.00 61.12 C ATOM 870 CD PRO A 57 3.724 3.544 -18.420 1.00 64.30 C ATOM 0 HA PRO A 57 2.039 5.843 -20.054 1.00 43.13 H new ATOM 0 HB2 PRO A 57 4.601 6.588 -19.315 1.00 3.54 H new ATOM 0 HB3 PRO A 57 3.238 6.599 -18.214 1.00 3.54 H new ATOM 0 HG2 PRO A 57 5.525 4.729 -18.314 1.00 61.12 H new ATOM 0 HG3 PRO A 57 4.403 5.021 -17.000 1.00 61.12 H new ATOM 0 HD2 PRO A 57 4.407 2.777 -18.787 1.00 64.30 H new ATOM 0 HD3 PRO A 57 3.217 3.129 -17.549 1.00 64.30 H new ATOM 878 N ASP A 58 4.294 4.204 -21.618 1.00 21.04 N ATOM 879 CA ASP A 58 4.962 4.070 -22.901 1.00 75.13 C ATOM 880 C ASP A 58 4.074 3.264 -23.851 1.00 74.32 C ATOM 881 O ASP A 58 4.515 2.859 -24.926 1.00 13.31 O ATOM 882 CB ASP A 58 6.292 3.330 -22.755 1.00 64.54 C ATOM 883 CG ASP A 58 7.538 4.183 -23.003 1.00 12.11 C ATOM 884 OD1 ASP A 58 7.583 4.988 -23.945 1.00 4.21 O ATOM 885 OD2 ASP A 58 8.503 3.993 -22.169 1.00 3.43 O ATOM 0 H ASP A 58 4.389 3.397 -21.001 1.00 21.04 H new ATOM 0 HA ASP A 58 5.148 5.071 -23.291 1.00 75.13 H new ATOM 0 HB2 ASP A 58 6.350 2.913 -21.750 1.00 64.54 H new ATOM 0 HB3 ASP A 58 6.301 2.490 -23.450 1.00 64.54 H new ATOM 891 N MET A 59 2.838 3.054 -23.420 1.00 64.04 N ATOM 892 CA MET A 59 1.884 2.303 -24.219 1.00 45.21 C ATOM 893 C MET A 59 0.711 3.187 -24.645 1.00 54.15 C ATOM 894 O MET A 59 -0.301 2.688 -25.135 1.00 34.41 O ATOM 895 CB MET A 59 1.362 1.116 -23.408 1.00 13.11 C ATOM 896 CG MET A 59 2.317 -0.075 -23.502 1.00 22.35 C ATOM 897 SD MET A 59 1.437 -1.592 -23.167 1.00 0.42 S ATOM 898 CE MET A 59 0.407 -1.059 -21.810 1.00 54.21 C ATOM 0 H MET A 59 2.476 3.391 -22.528 1.00 64.04 H new ATOM 0 HA MET A 59 2.390 1.946 -25.116 1.00 45.21 H new ATOM 0 HB2 MET A 59 1.242 1.409 -22.365 1.00 13.11 H new ATOM 0 HB3 MET A 59 0.377 0.826 -23.774 1.00 13.11 H new ATOM 0 HG2 MET A 59 2.764 -0.116 -24.495 1.00 22.35 H new ATOM 0 HG3 MET A 59 3.134 0.046 -22.790 1.00 22.35 H new ATOM 0 HE1 MET A 59 -0.322 -1.836 -21.580 1.00 54.21 H new ATOM 0 HE2 MET A 59 1.028 -0.873 -20.933 1.00 54.21 H new ATOM 0 HE3 MET A 59 -0.114 -0.143 -22.087 1.00 54.21 H new ATOM 908 N VAL A 60 0.885 4.485 -24.444 1.00 72.10 N ATOM 909 CA VAL A 60 -0.148 5.443 -24.801 1.00 64.05 C ATOM 910 C VAL A 60 0.477 6.580 -25.613 1.00 73.33 C ATOM 911 O VAL A 60 1.572 7.042 -25.300 1.00 5.23 O ATOM 912 CB VAL A 60 -0.866 5.932 -23.542 1.00 52.13 C ATOM 913 CG1 VAL A 60 -1.967 6.935 -23.894 1.00 21.11 C ATOM 914 CG2 VAL A 60 -1.430 4.757 -22.742 1.00 33.25 C ATOM 0 H VAL A 60 1.726 4.896 -24.038 1.00 72.10 H new ATOM 0 HA VAL A 60 -0.905 4.973 -25.428 1.00 64.05 H new ATOM 0 HB VAL A 60 -0.135 6.443 -22.916 1.00 52.13 H new ATOM 0 HG11 VAL A 60 -2.462 7.267 -22.981 1.00 21.11 H new ATOM 0 HG12 VAL A 60 -1.528 7.794 -24.402 1.00 21.11 H new ATOM 0 HG13 VAL A 60 -2.696 6.459 -24.550 1.00 21.11 H new ATOM 0 HG21 VAL A 60 -1.935 5.132 -21.852 1.00 33.25 H new ATOM 0 HG22 VAL A 60 -2.141 4.205 -23.358 1.00 33.25 H new ATOM 0 HG23 VAL A 60 -0.617 4.095 -22.445 1.00 33.25 H new ATOM 924 N LYS A 61 -0.248 6.997 -26.641 1.00 2.31 N ATOM 925 CA LYS A 61 0.221 8.071 -27.500 1.00 42.11 C ATOM 926 C LYS A 61 -0.207 9.416 -26.909 1.00 32.42 C ATOM 927 O LYS A 61 -1.234 9.503 -26.237 1.00 2.51 O ATOM 928 CB LYS A 61 -0.253 7.853 -28.938 1.00 72.32 C ATOM 929 CG LYS A 61 0.335 6.566 -29.520 1.00 61.32 C ATOM 930 CD LYS A 61 0.226 6.554 -31.046 1.00 73.12 C ATOM 931 CE LYS A 61 -0.801 5.520 -31.514 1.00 42.32 C ATOM 932 NZ LYS A 61 -1.324 5.879 -32.851 1.00 74.44 N ATOM 0 H LYS A 61 -1.156 6.611 -26.898 1.00 2.31 H new ATOM 0 HA LYS A 61 1.310 8.074 -27.545 1.00 42.11 H new ATOM 0 HB2 LYS A 61 -1.342 7.803 -28.962 1.00 72.32 H new ATOM 0 HB3 LYS A 61 0.041 8.703 -29.554 1.00 72.32 H new ATOM 0 HG2 LYS A 61 1.381 6.474 -29.226 1.00 61.32 H new ATOM 0 HG3 LYS A 61 -0.189 5.704 -29.108 1.00 61.32 H new ATOM 0 HD2 LYS A 61 -0.061 7.544 -31.402 1.00 73.12 H new ATOM 0 HD3 LYS A 61 1.199 6.328 -31.482 1.00 73.12 H new ATOM 0 HE2 LYS A 61 -0.341 4.532 -31.550 1.00 42.32 H new ATOM 0 HE3 LYS A 61 -1.622 5.464 -30.799 1.00 42.32 H new ATOM 0 HZ1 LYS A 61 -1.505 5.013 -33.397 1.00 74.44 H new ATOM 0 HZ2 LYS A 61 -2.210 6.413 -32.745 1.00 74.44 H new ATOM 0 HZ3 LYS A 61 -0.625 6.464 -33.352 1.00 74.44 H new ATOM 945 N GLY A 62 0.601 10.430 -27.180 1.00 62.31 N ATOM 946 CA GLY A 62 0.319 11.766 -26.683 1.00 73.43 C ATOM 947 C GLY A 62 0.114 11.755 -25.167 1.00 24.10 C ATOM 948 O GLY A 62 -0.459 12.688 -24.608 1.00 13.23 O ATOM 0 H GLY A 62 1.452 10.353 -27.738 1.00 62.31 H new ATOM 0 HA2 GLY A 62 1.142 12.434 -26.937 1.00 73.43 H new ATOM 0 HA3 GLY A 62 -0.573 12.159 -27.171 1.00 73.43 H new ATOM 952 N TYR A 63 0.595 10.689 -24.545 1.00 23.43 N ATOM 953 CA TYR A 63 0.473 10.544 -23.104 1.00 53.11 C ATOM 954 C TYR A 63 1.565 11.332 -22.379 1.00 5.11 C ATOM 955 O TYR A 63 2.468 11.877 -23.013 1.00 74.22 O ATOM 956 CB TYR A 63 0.657 9.053 -22.813 1.00 13.53 C ATOM 957 CG TYR A 63 0.933 8.736 -21.342 1.00 15.54 C ATOM 958 CD1 TYR A 63 2.231 8.706 -20.874 1.00 35.22 C ATOM 959 CD2 TYR A 63 -0.117 8.481 -20.482 1.00 41.11 C ATOM 960 CE1 TYR A 63 2.490 8.407 -19.489 1.00 41.52 C ATOM 961 CE2 TYR A 63 0.143 8.183 -19.097 1.00 73.35 C ATOM 962 CZ TYR A 63 1.433 8.161 -18.669 1.00 63.44 C ATOM 963 OH TYR A 63 1.678 7.879 -17.362 1.00 25.23 O ATOM 0 H TYR A 63 1.070 9.917 -25.012 1.00 23.43 H new ATOM 0 HA TYR A 63 -0.490 10.921 -22.761 1.00 53.11 H new ATOM 0 HB2 TYR A 63 -0.239 8.519 -23.127 1.00 13.53 H new ATOM 0 HB3 TYR A 63 1.482 8.674 -23.417 1.00 13.53 H new ATOM 0 HD1 TYR A 63 3.052 8.907 -21.546 1.00 35.22 H new ATOM 0 HD2 TYR A 63 -1.133 8.505 -20.848 1.00 41.11 H new ATOM 0 HE1 TYR A 63 3.501 8.379 -19.110 1.00 41.52 H new ATOM 0 HE2 TYR A 63 -0.669 7.982 -18.414 1.00 73.35 H new ATOM 0 HH TYR A 63 0.830 7.726 -16.896 1.00 25.23 H new ATOM 973 N ALA A 64 1.448 11.368 -21.060 1.00 24.53 N ATOM 974 CA ALA A 64 2.415 12.080 -20.241 1.00 62.34 C ATOM 975 C ALA A 64 1.899 12.160 -18.803 1.00 62.43 C ATOM 976 O ALA A 64 0.692 12.228 -18.576 1.00 24.52 O ATOM 977 CB ALA A 64 2.676 13.461 -20.845 1.00 13.30 C ATOM 0 H ALA A 64 0.698 10.915 -20.537 1.00 24.53 H new ATOM 0 HA ALA A 64 3.366 11.548 -20.220 1.00 62.34 H new ATOM 0 HB1 ALA A 64 3.401 13.995 -20.231 1.00 13.30 H new ATOM 0 HB2 ALA A 64 3.069 13.348 -21.855 1.00 13.30 H new ATOM 0 HB3 ALA A 64 1.744 14.025 -20.879 1.00 13.30 H new ATOM 983 N PRO A 65 2.864 12.148 -17.845 1.00 42.40 N ATOM 984 CA PRO A 65 2.520 12.219 -16.435 1.00 72.32 C ATOM 985 C PRO A 65 2.099 13.637 -16.044 1.00 33.44 C ATOM 986 O PRO A 65 2.010 14.519 -16.896 1.00 0.23 O ATOM 987 CB PRO A 65 3.764 11.745 -15.702 1.00 60.31 C ATOM 988 CG PRO A 65 4.907 11.870 -16.697 1.00 32.24 C ATOM 989 CD PRO A 65 4.303 12.069 -18.077 1.00 64.24 C ATOM 0 HA PRO A 65 1.662 11.597 -16.179 1.00 72.32 H new ATOM 0 HB2 PRO A 65 3.950 12.351 -14.815 1.00 60.31 H new ATOM 0 HB3 PRO A 65 3.650 10.715 -15.365 1.00 60.31 H new ATOM 0 HG2 PRO A 65 5.550 12.711 -16.437 1.00 32.24 H new ATOM 0 HG3 PRO A 65 5.529 10.975 -16.678 1.00 32.24 H new ATOM 0 HD2 PRO A 65 4.679 12.978 -18.546 1.00 64.24 H new ATOM 0 HD3 PRO A 65 4.552 11.241 -18.741 1.00 64.24 H new