USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 645 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 23 HIS : no HD1:sc= -0.177 K(o=0.59,f=-0.61) USER MOD Set 1.2: A 64 GLN : amide:sc= 0.764 K(o=0.59,f=-1.3) USER MOD Set 2.1: A 16 THR OG1 : rot 170:sc= 0.839 USER MOD Set 2.2: A 70 LYS NZ :NH3+ -167:sc= 0.949 (180deg=-0.017) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0838 X(o=-0.084,f=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.494 X(o=-0.49,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0402 USER MOD Single : A 28 SER OG : rot -17:sc= 0.0667 USER MOD Single : A 31 GLN : amide:sc= -0.0459 X(o=-0.046,f=-0.3) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -169:sc= 1.17 (180deg=1.09) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.3) USER MOD Single : A 58 MET CE :methyl 171:sc=-0.00941 (180deg=-0.12) USER MOD Single : A 65 HIS : no HD1:sc= 0.284 K(o=0.28,f=-7.1!) USER MOD Single : A 67 THR OG1 : rot -89:sc= 0.333 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0709) USER MOD Single : A 75 ASN : amide:sc= -1.23 X(o=-1.2,f=-0.95) USER MOD Single : A 79 THR OG1 : rot 10:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 22 N ARG A 3 -12.583 7.517 0.751 1.00 54.32 N ATOM 23 CA ARG A 3 -11.295 7.063 0.244 1.00 0.02 C ATOM 24 C ARG A 3 -10.261 7.032 1.346 1.00 1.43 C ATOM 25 O ARG A 3 -9.997 8.063 1.976 1.00 5.52 O ATOM 26 CB ARG A 3 -10.865 7.937 -0.935 1.00 1.31 C ATOM 27 CG ARG A 3 -9.823 7.220 -1.806 1.00 51.02 C ATOM 28 CD ARG A 3 -8.654 8.126 -2.163 1.00 42.31 C ATOM 29 NE ARG A 3 -9.083 9.350 -2.838 1.00 42.35 N ATOM 30 CZ ARG A 3 -8.456 10.525 -2.879 1.00 72.04 C ATOM 31 NH1 ARG A 3 -7.313 10.719 -2.223 1.00 35.44 N ATOM 32 NH2 ARG A 3 -9.007 11.508 -3.581 1.00 20.33 N ATOM 0 HA ARG A 3 -11.391 6.040 -0.119 1.00 0.02 H new ATOM 0 HB2 ARG A 3 -11.736 8.191 -1.540 1.00 1.31 H new ATOM 0 HB3 ARG A 3 -10.450 8.874 -0.564 1.00 1.31 H new ATOM 0 HG2 ARG A 3 -9.452 6.342 -1.278 1.00 51.02 H new ATOM 0 HG3 ARG A 3 -10.298 6.865 -2.720 1.00 51.02 H new ATOM 0 HD2 ARG A 3 -8.110 8.387 -1.255 1.00 42.31 H new ATOM 0 HD3 ARG A 3 -7.961 7.584 -2.806 1.00 42.31 H new ATOM 0 HE ARG A 3 -9.970 9.298 -3.338 1.00 42.35 H new ATOM 0 HH11 ARG A 3 -6.903 9.961 -1.677 1.00 35.44 H new ATOM 0 HH12 ARG A 3 -6.848 11.626 -2.266 1.00 35.44 H new ATOM 0 HH21 ARG A 3 -9.888 11.353 -4.071 1.00 20.33 H new ATOM 0 HH22 ARG A 3 -8.549 12.418 -3.630 1.00 20.33 H new ATOM 46 N PHE A 4 -9.760 5.836 1.608 1.00 64.43 N ATOM 47 CA PHE A 4 -8.744 5.557 2.605 1.00 65.34 C ATOM 48 C PHE A 4 -7.391 5.555 1.894 1.00 11.10 C ATOM 49 O PHE A 4 -7.330 5.556 0.655 1.00 62.53 O ATOM 50 CB PHE A 4 -9.031 4.197 3.252 1.00 23.15 C ATOM 51 CG PHE A 4 -10.364 4.083 3.971 1.00 3.45 C ATOM 52 CD1 PHE A 4 -11.530 3.741 3.260 1.00 61.10 C ATOM 53 CD2 PHE A 4 -10.435 4.277 5.363 1.00 75.13 C ATOM 54 CE1 PHE A 4 -12.760 3.619 3.933 1.00 45.23 C ATOM 55 CE2 PHE A 4 -11.666 4.158 6.033 1.00 71.43 C ATOM 56 CZ PHE A 4 -12.830 3.833 5.318 1.00 11.24 C ATOM 0 H PHE A 4 -10.064 4.999 1.110 1.00 64.43 H new ATOM 0 HA PHE A 4 -8.741 6.309 3.394 1.00 65.34 H new ATOM 0 HB2 PHE A 4 -8.988 3.430 2.479 1.00 23.15 H new ATOM 0 HB3 PHE A 4 -8.235 3.977 3.963 1.00 23.15 H new ATOM 0 HD1 PHE A 4 -11.480 3.572 2.195 1.00 61.10 H new ATOM 0 HD2 PHE A 4 -9.541 4.518 5.919 1.00 75.13 H new ATOM 0 HE1 PHE A 4 -13.652 3.360 3.382 1.00 45.23 H new ATOM 0 HE2 PHE A 4 -11.716 4.317 7.100 1.00 71.43 H new ATOM 0 HZ PHE A 4 -13.776 3.748 5.832 1.00 11.24 H new ATOM 66 N ILE A 5 -6.324 5.658 2.685 1.00 4.20 N ATOM 67 CA ILE A 5 -4.943 5.678 2.226 1.00 30.21 C ATOM 68 C ILE A 5 -4.147 4.750 3.136 1.00 33.43 C ATOM 69 O ILE A 5 -4.328 4.772 4.355 1.00 11.42 O ATOM 70 CB ILE A 5 -4.411 7.131 2.283 1.00 51.44 C ATOM 71 CG1 ILE A 5 -5.156 8.036 1.278 1.00 43.40 C ATOM 72 CG2 ILE A 5 -2.898 7.240 1.994 1.00 4.34 C ATOM 73 CD1 ILE A 5 -5.289 9.476 1.753 1.00 74.04 C ATOM 0 H ILE A 5 -6.404 5.732 3.699 1.00 4.20 H new ATOM 0 HA ILE A 5 -4.853 5.335 1.195 1.00 30.21 H new ATOM 0 HB ILE A 5 -4.591 7.460 3.306 1.00 51.44 H new ATOM 0 HG12 ILE A 5 -4.627 8.022 0.325 1.00 43.40 H new ATOM 0 HG13 ILE A 5 -6.150 7.626 1.097 1.00 43.40 H new ATOM 0 HG21 ILE A 5 -2.591 8.284 2.050 1.00 4.34 H new ATOM 0 HG22 ILE A 5 -2.344 6.659 2.731 1.00 4.34 H new ATOM 0 HG23 ILE A 5 -2.689 6.854 0.996 1.00 4.34 H new ATOM 0 HD11 ILE A 5 -5.822 10.059 1.002 1.00 74.04 H new ATOM 0 HD12 ILE A 5 -5.843 9.500 2.691 1.00 74.04 H new ATOM 0 HD13 ILE A 5 -4.297 9.902 1.907 1.00 74.04 H new ATOM 85 N VAL A 6 -3.249 3.952 2.574 1.00 40.14 N ATOM 86 CA VAL A 6 -2.399 3.055 3.346 1.00 72.03 C ATOM 87 C VAL A 6 -1.087 3.826 3.530 1.00 23.11 C ATOM 88 O VAL A 6 -0.698 4.627 2.671 1.00 14.14 O ATOM 89 CB VAL A 6 -2.218 1.706 2.614 1.00 72.42 C ATOM 90 CG1 VAL A 6 -1.485 0.659 3.461 1.00 14.21 C ATOM 91 CG2 VAL A 6 -3.575 1.087 2.252 1.00 14.21 C ATOM 0 H VAL A 6 -3.089 3.908 1.568 1.00 40.14 H new ATOM 0 HA VAL A 6 -2.825 2.786 4.312 1.00 72.03 H new ATOM 0 HB VAL A 6 -1.631 1.945 1.727 1.00 72.42 H new ATOM 0 HG11 VAL A 6 -1.389 -0.266 2.893 1.00 14.21 H new ATOM 0 HG12 VAL A 6 -0.494 1.030 3.721 1.00 14.21 H new ATOM 0 HG13 VAL A 6 -2.051 0.467 4.373 1.00 14.21 H new ATOM 0 HG21 VAL A 6 -3.417 0.139 1.738 1.00 14.21 H new ATOM 0 HG22 VAL A 6 -4.151 0.915 3.161 1.00 14.21 H new ATOM 0 HG23 VAL A 6 -4.122 1.767 1.599 1.00 14.21 H new ATOM 101 N PHE A 7 -0.418 3.637 4.658 1.00 3.31 N ATOM 102 CA PHE A 7 0.843 4.246 5.021 1.00 34.14 C ATOM 103 C PHE A 7 1.874 3.125 4.935 1.00 4.03 C ATOM 104 O PHE A 7 1.940 2.248 5.796 1.00 54.45 O ATOM 105 CB PHE A 7 0.765 4.871 6.420 1.00 63.33 C ATOM 106 CG PHE A 7 2.074 5.442 6.946 1.00 14.31 C ATOM 107 CD1 PHE A 7 3.113 5.822 6.071 1.00 31.11 C ATOM 108 CD2 PHE A 7 2.272 5.573 8.334 1.00 71.04 C ATOM 109 CE1 PHE A 7 4.344 6.253 6.575 1.00 12.51 C ATOM 110 CE2 PHE A 7 3.509 6.004 8.836 1.00 42.10 C ATOM 111 CZ PHE A 7 4.555 6.315 7.955 1.00 53.51 C ATOM 0 H PHE A 7 -0.768 3.014 5.386 1.00 3.31 H new ATOM 0 HA PHE A 7 1.114 5.067 4.358 1.00 34.14 H new ATOM 0 HB2 PHE A 7 0.020 5.666 6.405 1.00 63.33 H new ATOM 0 HB3 PHE A 7 0.409 4.115 7.120 1.00 63.33 H new ATOM 0 HD1 PHE A 7 2.956 5.780 5.003 1.00 31.11 H new ATOM 0 HD2 PHE A 7 1.467 5.340 9.016 1.00 71.04 H new ATOM 0 HE1 PHE A 7 5.134 6.539 5.896 1.00 12.51 H new ATOM 0 HE2 PHE A 7 3.656 6.096 9.902 1.00 42.10 H new ATOM 0 HZ PHE A 7 5.522 6.602 8.342 1.00 53.51 H new ATOM 121 N VAL A 8 2.658 3.146 3.866 1.00 43.04 N ATOM 122 CA VAL A 8 3.694 2.176 3.565 1.00 5.22 C ATOM 123 C VAL A 8 5.031 2.905 3.721 1.00 23.21 C ATOM 124 O VAL A 8 5.203 3.926 3.051 1.00 31.31 O ATOM 125 CB VAL A 8 3.397 1.643 2.145 1.00 70.10 C ATOM 126 CG1 VAL A 8 4.520 0.819 1.537 1.00 20.22 C ATOM 127 CG2 VAL A 8 2.123 0.788 2.137 1.00 22.23 C ATOM 0 H VAL A 8 2.583 3.874 3.155 1.00 43.04 H new ATOM 0 HA VAL A 8 3.730 1.309 4.225 1.00 5.22 H new ATOM 0 HB VAL A 8 3.277 2.539 1.535 1.00 70.10 H new ATOM 0 HG11 VAL A 8 4.228 0.485 0.541 1.00 20.22 H new ATOM 0 HG12 VAL A 8 5.421 1.428 1.466 1.00 20.22 H new ATOM 0 HG13 VAL A 8 4.717 -0.048 2.167 1.00 20.22 H new ATOM 0 HG21 VAL A 8 1.935 0.424 1.127 1.00 22.23 H new ATOM 0 HG22 VAL A 8 2.250 -0.060 2.810 1.00 22.23 H new ATOM 0 HG23 VAL A 8 1.278 1.391 2.469 1.00 22.23 H new ATOM 137 N GLY A 9 5.946 2.451 4.595 1.00 45.21 N ATOM 138 CA GLY A 9 7.255 3.078 4.814 1.00 74.21 C ATOM 139 C GLY A 9 8.372 2.063 5.052 1.00 21.43 C ATOM 140 O GLY A 9 8.128 0.858 5.059 1.00 31.23 O ATOM 0 H GLY A 9 5.792 1.627 5.176 1.00 45.21 H new ATOM 0 HA2 GLY A 9 7.507 3.691 3.949 1.00 74.21 H new ATOM 0 HA3 GLY A 9 7.192 3.748 5.672 1.00 74.21 H new ATOM 144 N SER A 10 9.603 2.557 5.226 1.00 2.23 N ATOM 145 CA SER A 10 10.839 1.797 5.438 1.00 2.12 C ATOM 146 C SER A 10 11.292 1.053 4.169 1.00 54.51 C ATOM 147 O SER A 10 12.070 0.100 4.223 1.00 12.50 O ATOM 148 CB SER A 10 10.714 0.942 6.708 1.00 45.24 C ATOM 149 OG SER A 10 11.265 1.667 7.796 1.00 42.51 O ATOM 0 H SER A 10 9.773 3.563 5.222 1.00 2.23 H new ATOM 0 HA SER A 10 11.666 2.482 5.625 1.00 2.12 H new ATOM 0 HB2 SER A 10 9.668 0.704 6.903 1.00 45.24 H new ATOM 0 HB3 SER A 10 11.238 -0.005 6.580 1.00 45.24 H new ATOM 0 HG SER A 10 11.191 1.134 8.615 1.00 42.51 H new ATOM 155 N LEU A 11 10.831 1.522 3.006 1.00 32.42 N ATOM 156 CA LEU A 11 11.112 0.949 1.695 1.00 51.31 C ATOM 157 C LEU A 11 12.590 1.023 1.320 1.00 12.15 C ATOM 158 O LEU A 11 13.283 1.966 1.715 1.00 64.03 O ATOM 159 CB LEU A 11 10.249 1.627 0.609 1.00 15.10 C ATOM 160 CG LEU A 11 8.815 1.070 0.522 1.00 23.54 C ATOM 161 CD1 LEU A 11 8.093 1.072 1.870 1.00 33.40 C ATOM 162 CD2 LEU A 11 7.974 1.903 -0.443 1.00 73.21 C ATOM 0 H LEU A 11 10.229 2.344 2.955 1.00 32.42 H new ATOM 0 HA LEU A 11 10.852 -0.108 1.755 1.00 51.31 H new ATOM 0 HB2 LEU A 11 10.202 2.697 0.810 1.00 15.10 H new ATOM 0 HB3 LEU A 11 10.736 1.505 -0.358 1.00 15.10 H new ATOM 0 HG LEU A 11 8.919 0.042 0.175 1.00 23.54 H new ATOM 0 HD11 LEU A 11 7.088 0.669 1.745 1.00 33.40 H new ATOM 0 HD12 LEU A 11 8.646 0.456 2.580 1.00 33.40 H new ATOM 0 HD13 LEU A 11 8.030 2.093 2.247 1.00 33.40 H new ATOM 0 HD21 LEU A 11 6.965 1.495 -0.492 1.00 73.21 H new ATOM 0 HD22 LEU A 11 7.932 2.934 -0.092 1.00 73.21 H new ATOM 0 HD23 LEU A 11 8.425 1.876 -1.435 1.00 73.21 H new ATOM 174 N PRO A 12 13.070 0.057 0.519 1.00 13.34 N ATOM 175 CA PRO A 12 14.451 0.016 0.073 1.00 41.15 C ATOM 176 C PRO A 12 14.730 1.173 -0.883 1.00 10.42 C ATOM 177 O PRO A 12 13.861 1.591 -1.649 1.00 70.14 O ATOM 178 CB PRO A 12 14.617 -1.330 -0.649 1.00 24.33 C ATOM 179 CG PRO A 12 13.199 -1.675 -1.092 1.00 44.23 C ATOM 180 CD PRO A 12 12.332 -1.088 0.008 1.00 70.10 C ATOM 0 HA PRO A 12 15.148 0.111 0.906 1.00 41.15 H new ATOM 0 HB2 PRO A 12 15.294 -1.248 -1.499 1.00 24.33 H new ATOM 0 HB3 PRO A 12 15.027 -2.093 0.013 1.00 24.33 H new ATOM 0 HG2 PRO A 12 12.965 -1.239 -2.063 1.00 44.23 H new ATOM 0 HG3 PRO A 12 13.058 -2.752 -1.183 1.00 44.23 H new ATOM 0 HD2 PRO A 12 11.359 -0.786 -0.379 1.00 70.10 H new ATOM 0 HD3 PRO A 12 12.149 -1.819 0.795 1.00 70.10 H new ATOM 188 N ARG A 13 15.971 1.656 -0.896 1.00 22.32 N ATOM 189 CA ARG A 13 16.394 2.745 -1.772 1.00 35.13 C ATOM 190 C ARG A 13 16.191 2.352 -3.237 1.00 74.23 C ATOM 191 O ARG A 13 15.800 3.192 -4.048 1.00 4.22 O ATOM 192 CB ARG A 13 17.851 3.091 -1.464 1.00 74.11 C ATOM 193 CG ARG A 13 18.333 4.274 -2.318 1.00 34.10 C ATOM 194 CD ARG A 13 19.211 5.178 -1.462 1.00 35.54 C ATOM 195 NE ARG A 13 19.910 6.185 -2.272 1.00 71.22 N ATOM 196 CZ ARG A 13 20.721 7.139 -1.804 1.00 32.22 C ATOM 197 NH1 ARG A 13 20.916 7.286 -0.496 1.00 43.03 N ATOM 198 NH2 ARG A 13 21.323 7.961 -2.651 1.00 44.10 N ATOM 0 H ARG A 13 16.715 1.300 -0.295 1.00 22.32 H new ATOM 0 HA ARG A 13 15.787 3.633 -1.594 1.00 35.13 H new ATOM 0 HB2 ARG A 13 17.954 3.336 -0.407 1.00 74.11 H new ATOM 0 HB3 ARG A 13 18.482 2.222 -1.652 1.00 74.11 H new ATOM 0 HG2 ARG A 13 18.893 3.912 -3.180 1.00 34.10 H new ATOM 0 HG3 ARG A 13 17.480 4.833 -2.703 1.00 34.10 H new ATOM 0 HD2 ARG A 13 18.597 5.677 -0.712 1.00 35.54 H new ATOM 0 HD3 ARG A 13 19.941 4.573 -0.925 1.00 35.54 H new ATOM 0 HE ARG A 13 19.763 6.153 -3.281 1.00 71.22 H new ATOM 0 HH11 ARG A 13 20.444 6.667 0.163 1.00 43.03 H new ATOM 0 HH12 ARG A 13 21.537 8.018 -0.152 1.00 43.03 H new ATOM 0 HH21 ARG A 13 21.166 7.864 -3.654 1.00 44.10 H new ATOM 0 HH22 ARG A 13 21.943 8.691 -2.300 1.00 44.10 H new ATOM 212 N ASP A 14 16.402 1.076 -3.570 1.00 12.53 N ATOM 213 CA ASP A 14 16.271 0.531 -4.921 1.00 62.42 C ATOM 214 C ASP A 14 14.865 0.034 -5.272 1.00 4.12 C ATOM 215 O ASP A 14 14.714 -0.706 -6.245 1.00 50.34 O ATOM 216 CB ASP A 14 17.347 -0.530 -5.188 1.00 62.23 C ATOM 217 CG ASP A 14 18.144 -0.135 -6.430 1.00 32.21 C ATOM 218 OD1 ASP A 14 17.615 -0.263 -7.564 1.00 1.45 O ATOM 219 OD2 ASP A 14 19.259 0.393 -6.237 1.00 13.42 O ATOM 0 H ASP A 14 16.677 0.373 -2.884 1.00 12.53 H new ATOM 0 HA ASP A 14 16.436 1.368 -5.599 1.00 62.42 H new ATOM 0 HB2 ASP A 14 18.011 -0.617 -4.328 1.00 62.23 H new ATOM 0 HB3 ASP A 14 16.884 -1.506 -5.333 1.00 62.23 H new ATOM 224 N ILE A 15 13.839 0.380 -4.486 1.00 73.21 N ATOM 225 CA ILE A 15 12.447 -0.019 -4.718 1.00 71.40 C ATOM 226 C ILE A 15 12.029 0.203 -6.189 1.00 23.21 C ATOM 227 O ILE A 15 12.455 1.180 -6.810 1.00 64.04 O ATOM 228 CB ILE A 15 11.530 0.704 -3.711 1.00 54.02 C ATOM 229 CG1 ILE A 15 10.076 0.202 -3.777 1.00 62.14 C ATOM 230 CG2 ILE A 15 11.593 2.225 -3.880 1.00 63.15 C ATOM 231 CD1 ILE A 15 9.905 -1.250 -3.324 1.00 12.31 C ATOM 0 H ILE A 15 13.956 0.957 -3.653 1.00 73.21 H new ATOM 0 HA ILE A 15 12.345 -1.091 -4.548 1.00 71.40 H new ATOM 0 HB ILE A 15 11.910 0.460 -2.719 1.00 54.02 H new ATOM 0 HG12 ILE A 15 9.451 0.843 -3.155 1.00 62.14 H new ATOM 0 HG13 ILE A 15 9.714 0.299 -4.800 1.00 62.14 H new ATOM 0 HG21 ILE A 15 10.934 2.699 -3.153 1.00 63.15 H new ATOM 0 HG22 ILE A 15 12.616 2.567 -3.720 1.00 63.15 H new ATOM 0 HG23 ILE A 15 11.275 2.493 -4.888 1.00 63.15 H new ATOM 0 HD11 ILE A 15 8.855 -1.533 -3.398 1.00 12.31 H new ATOM 0 HD12 ILE A 15 10.502 -1.903 -3.961 1.00 12.31 H new ATOM 0 HD13 ILE A 15 10.236 -1.350 -2.290 1.00 12.31 H new ATOM 243 N THR A 16 11.215 -0.698 -6.748 1.00 34.34 N ATOM 244 CA THR A 16 10.734 -0.631 -8.116 1.00 42.01 C ATOM 245 C THR A 16 9.210 -0.672 -8.091 1.00 22.50 C ATOM 246 O THR A 16 8.620 -1.323 -7.221 1.00 75.23 O ATOM 247 CB THR A 16 11.343 -1.777 -8.947 1.00 13.11 C ATOM 248 OG1 THR A 16 11.207 -3.041 -8.316 1.00 14.32 O ATOM 249 CG2 THR A 16 12.824 -1.579 -9.252 1.00 53.32 C ATOM 0 H THR A 16 10.868 -1.512 -6.241 1.00 34.34 H new ATOM 0 HA THR A 16 11.045 0.298 -8.593 1.00 42.01 H new ATOM 0 HB THR A 16 10.774 -1.757 -9.876 1.00 13.11 H new ATOM 0 HG1 THR A 16 11.459 -3.749 -8.945 1.00 14.32 H new ATOM 0 HG21 THR A 16 13.190 -2.421 -9.840 1.00 53.32 H new ATOM 0 HG22 THR A 16 12.959 -0.656 -9.817 1.00 53.32 H new ATOM 0 HG23 THR A 16 13.383 -1.518 -8.318 1.00 53.32 H new ATOM 257 N ALA A 17 8.578 -0.012 -9.063 1.00 61.20 N ATOM 258 CA ALA A 17 7.130 0.028 -9.174 1.00 13.34 C ATOM 259 C ALA A 17 6.581 -1.381 -9.370 1.00 52.22 C ATOM 260 O ALA A 17 5.495 -1.663 -8.877 1.00 73.24 O ATOM 261 CB ALA A 17 6.729 0.928 -10.346 1.00 63.50 C ATOM 0 H ALA A 17 9.062 0.509 -9.794 1.00 61.20 H new ATOM 0 HA ALA A 17 6.709 0.437 -8.255 1.00 13.34 H new ATOM 0 HB1 ALA A 17 5.642 0.957 -10.428 1.00 63.50 H new ATOM 0 HB2 ALA A 17 7.107 1.936 -10.176 1.00 63.50 H new ATOM 0 HB3 ALA A 17 7.152 0.533 -11.270 1.00 63.50 H new ATOM 267 N VAL A 18 7.315 -2.271 -10.048 1.00 5.54 N ATOM 268 CA VAL A 18 6.858 -3.640 -10.265 1.00 42.01 C ATOM 269 C VAL A 18 6.670 -4.343 -8.921 1.00 65.23 C ATOM 270 O VAL A 18 5.696 -5.070 -8.753 1.00 53.41 O ATOM 271 CB VAL A 18 7.801 -4.407 -11.220 1.00 33.52 C ATOM 272 CG1 VAL A 18 9.249 -4.466 -10.723 1.00 31.11 C ATOM 273 CG2 VAL A 18 7.340 -5.850 -11.475 1.00 24.51 C ATOM 0 H VAL A 18 8.227 -2.063 -10.454 1.00 5.54 H new ATOM 0 HA VAL A 18 5.888 -3.618 -10.762 1.00 42.01 H new ATOM 0 HB VAL A 18 7.759 -3.833 -12.145 1.00 33.52 H new ATOM 0 HG11 VAL A 18 9.857 -5.018 -11.439 1.00 31.11 H new ATOM 0 HG12 VAL A 18 9.640 -3.454 -10.619 1.00 31.11 H new ATOM 0 HG13 VAL A 18 9.282 -4.968 -9.756 1.00 31.11 H new ATOM 0 HG21 VAL A 18 8.039 -6.341 -12.152 1.00 24.51 H new ATOM 0 HG22 VAL A 18 7.307 -6.394 -10.531 1.00 24.51 H new ATOM 0 HG23 VAL A 18 6.346 -5.841 -11.923 1.00 24.51 H new ATOM 283 N GLU A 19 7.588 -4.143 -7.970 1.00 1.35 N ATOM 284 CA GLU A 19 7.497 -4.780 -6.663 1.00 13.54 C ATOM 285 C GLU A 19 6.310 -4.199 -5.892 1.00 34.22 C ATOM 286 O GLU A 19 5.560 -4.948 -5.272 1.00 34.24 O ATOM 287 CB GLU A 19 8.813 -4.567 -5.900 1.00 45.22 C ATOM 288 CG GLU A 19 9.997 -5.425 -6.380 1.00 4.31 C ATOM 289 CD GLU A 19 9.983 -6.889 -5.923 1.00 51.23 C ATOM 290 OE1 GLU A 19 8.926 -7.555 -6.041 1.00 4.21 O ATOM 291 OE2 GLU A 19 11.065 -7.398 -5.545 1.00 42.14 O ATOM 0 H GLU A 19 8.404 -3.542 -8.087 1.00 1.35 H new ATOM 0 HA GLU A 19 7.336 -5.852 -6.779 1.00 13.54 H new ATOM 0 HB2 GLU A 19 9.092 -3.516 -5.977 1.00 45.22 H new ATOM 0 HB3 GLU A 19 8.640 -4.775 -4.844 1.00 45.22 H new ATOM 0 HG2 GLU A 19 10.020 -5.403 -7.470 1.00 4.31 H new ATOM 0 HG3 GLU A 19 10.921 -4.963 -6.033 1.00 4.31 H new ATOM 298 N LEU A 20 6.114 -2.878 -5.947 1.00 54.32 N ATOM 299 CA LEU A 20 5.009 -2.214 -5.257 1.00 11.14 C ATOM 300 C LEU A 20 3.660 -2.623 -5.835 1.00 33.41 C ATOM 301 O LEU A 20 2.692 -2.795 -5.093 1.00 34.34 O ATOM 302 CB LEU A 20 5.178 -0.692 -5.336 1.00 5.40 C ATOM 303 CG LEU A 20 6.289 -0.147 -4.426 1.00 62.45 C ATOM 304 CD1 LEU A 20 6.302 1.371 -4.544 1.00 22.43 C ATOM 305 CD2 LEU A 20 6.125 -0.492 -2.940 1.00 41.43 C ATOM 0 H LEU A 20 6.716 -2.242 -6.470 1.00 54.32 H new ATOM 0 HA LEU A 20 5.032 -2.526 -4.213 1.00 11.14 H new ATOM 0 HB2 LEU A 20 5.395 -0.412 -6.367 1.00 5.40 H new ATOM 0 HB3 LEU A 20 4.235 -0.216 -5.068 1.00 5.40 H new ATOM 0 HG LEU A 20 7.214 -0.617 -4.762 1.00 62.45 H new ATOM 0 HD11 LEU A 20 7.085 1.779 -3.905 1.00 22.43 H new ATOM 0 HD12 LEU A 20 6.494 1.654 -5.579 1.00 22.43 H new ATOM 0 HD13 LEU A 20 5.336 1.768 -4.233 1.00 22.43 H new ATOM 0 HD21 LEU A 20 6.954 -0.067 -2.374 1.00 41.43 H new ATOM 0 HD22 LEU A 20 5.185 -0.080 -2.572 1.00 41.43 H new ATOM 0 HD23 LEU A 20 6.119 -1.575 -2.816 1.00 41.43 H new ATOM 317 N GLN A 21 3.568 -2.742 -7.155 1.00 75.35 N ATOM 318 CA GLN A 21 2.345 -3.153 -7.824 1.00 44.00 C ATOM 319 C GLN A 21 2.065 -4.599 -7.422 1.00 14.01 C ATOM 320 O GLN A 21 0.965 -4.927 -6.995 1.00 54.30 O ATOM 321 CB GLN A 21 2.497 -2.997 -9.339 1.00 44.14 C ATOM 322 CG GLN A 21 2.565 -1.520 -9.766 1.00 20.30 C ATOM 323 CD GLN A 21 1.368 -1.035 -10.576 1.00 13.53 C ATOM 324 OE1 GLN A 21 1.544 -0.213 -11.470 1.00 74.01 O ATOM 325 NE2 GLN A 21 0.144 -1.463 -10.327 1.00 10.25 N ATOM 0 H GLN A 21 4.343 -2.555 -7.791 1.00 75.35 H new ATOM 0 HA GLN A 21 1.503 -2.528 -7.528 1.00 44.00 H new ATOM 0 HB2 GLN A 21 3.401 -3.510 -9.667 1.00 44.14 H new ATOM 0 HB3 GLN A 21 1.657 -3.480 -9.839 1.00 44.14 H new ATOM 0 HG2 GLN A 21 2.657 -0.902 -8.873 1.00 20.30 H new ATOM 0 HG3 GLN A 21 3.470 -1.367 -10.354 1.00 20.30 H new ATOM 0 HE21 GLN A 21 -0.017 -2.146 -9.587 1.00 10.25 H new ATOM 0 HE22 GLN A 21 -0.641 -1.111 -10.875 1.00 10.25 H new ATOM 334 N ASN A 22 3.092 -5.445 -7.478 1.00 74.23 N ATOM 335 CA ASN A 22 3.010 -6.856 -7.149 1.00 44.54 C ATOM 336 C ASN A 22 2.592 -7.137 -5.704 1.00 43.01 C ATOM 337 O ASN A 22 1.670 -7.920 -5.485 1.00 14.22 O ATOM 338 CB ASN A 22 4.353 -7.512 -7.455 1.00 23.11 C ATOM 339 CG ASN A 22 4.287 -8.986 -7.127 1.00 72.43 C ATOM 340 OD1 ASN A 22 3.552 -9.729 -7.768 1.00 74.14 O ATOM 341 ND2 ASN A 22 5.069 -9.425 -6.165 1.00 4.32 N ATOM 0 H ASN A 22 4.027 -5.154 -7.762 1.00 74.23 H new ATOM 0 HA ASN A 22 2.219 -7.284 -7.765 1.00 44.54 H new ATOM 0 HB2 ASN A 22 4.604 -7.375 -8.507 1.00 23.11 H new ATOM 0 HB3 ASN A 22 5.142 -7.035 -6.874 1.00 23.11 H new ATOM 0 HD21 ASN A 22 5.079 -10.417 -5.928 1.00 4.32 H new ATOM 0 HD22 ASN A 22 5.666 -8.773 -5.656 1.00 4.32 H new ATOM 348 N HIS A 23 3.209 -6.486 -4.713 1.00 72.33 N ATOM 349 CA HIS A 23 2.880 -6.726 -3.307 1.00 62.32 C ATOM 350 C HIS A 23 1.427 -6.412 -2.960 1.00 33.53 C ATOM 351 O HIS A 23 0.879 -7.014 -2.039 1.00 30.52 O ATOM 352 CB HIS A 23 3.827 -5.950 -2.378 1.00 31.23 C ATOM 353 CG HIS A 23 4.751 -6.865 -1.615 1.00 31.14 C ATOM 354 ND1 HIS A 23 6.051 -7.188 -1.994 1.00 54.02 N ATOM 355 CD2 HIS A 23 4.414 -7.602 -0.518 1.00 21.52 C ATOM 356 CE1 HIS A 23 6.466 -8.124 -1.126 1.00 73.05 C ATOM 357 NE2 HIS A 23 5.502 -8.400 -0.230 1.00 72.10 N ATOM 0 H HIS A 23 3.939 -5.789 -4.860 1.00 72.33 H new ATOM 0 HA HIS A 23 3.016 -7.796 -3.149 1.00 62.32 H new ATOM 0 HB2 HIS A 23 4.418 -5.249 -2.967 1.00 31.23 H new ATOM 0 HB3 HIS A 23 3.240 -5.360 -1.674 1.00 31.23 H new ATOM 0 HD2 HIS A 23 3.478 -7.568 0.020 1.00 21.52 H new ATOM 0 HE1 HIS A 23 7.440 -8.591 -1.145 1.00 73.05 H new ATOM 0 HE2 HIS A 23 5.564 -9.079 0.528 1.00 72.10 H new ATOM 365 N PHE A 24 0.790 -5.478 -3.671 1.00 4.14 N ATOM 366 CA PHE A 24 -0.595 -5.093 -3.426 1.00 0.23 C ATOM 367 C PHE A 24 -1.533 -5.489 -4.565 1.00 15.20 C ATOM 368 O PHE A 24 -2.718 -5.163 -4.536 1.00 63.14 O ATOM 369 CB PHE A 24 -0.656 -3.618 -3.045 1.00 3.55 C ATOM 370 CG PHE A 24 0.228 -3.234 -1.872 1.00 51.20 C ATOM 371 CD1 PHE A 24 -0.041 -3.740 -0.589 1.00 2.04 C ATOM 372 CD2 PHE A 24 1.320 -2.368 -2.057 1.00 63.34 C ATOM 373 CE1 PHE A 24 0.738 -3.337 0.509 1.00 30.11 C ATOM 374 CE2 PHE A 24 2.085 -1.942 -0.959 1.00 5.12 C ATOM 375 CZ PHE A 24 1.795 -2.428 0.329 1.00 52.34 C ATOM 0 H PHE A 24 1.227 -4.966 -4.437 1.00 4.14 H new ATOM 0 HA PHE A 24 -0.974 -5.662 -2.577 1.00 0.23 H new ATOM 0 HB2 PHE A 24 -0.370 -3.020 -3.910 1.00 3.55 H new ATOM 0 HB3 PHE A 24 -1.688 -3.360 -2.806 1.00 3.55 H new ATOM 0 HD1 PHE A 24 -0.850 -4.441 -0.446 1.00 2.04 H new ATOM 0 HD2 PHE A 24 1.572 -2.028 -3.051 1.00 63.34 H new ATOM 0 HE1 PHE A 24 0.524 -3.727 1.493 1.00 30.11 H new ATOM 0 HE2 PHE A 24 2.895 -1.242 -1.103 1.00 5.12 H new ATOM 0 HZ PHE A 24 2.382 -2.104 1.176 1.00 52.34 H new ATOM 385 N LYS A 25 -1.068 -6.276 -5.534 1.00 11.22 N ATOM 386 CA LYS A 25 -1.844 -6.721 -6.680 1.00 13.15 C ATOM 387 C LYS A 25 -3.133 -7.428 -6.269 1.00 33.44 C ATOM 388 O LYS A 25 -4.131 -7.332 -6.976 1.00 22.54 O ATOM 389 CB LYS A 25 -0.934 -7.607 -7.545 1.00 32.34 C ATOM 390 CG LYS A 25 -1.048 -7.240 -9.017 1.00 74.42 C ATOM 391 CD LYS A 25 -0.060 -8.075 -9.843 1.00 24.23 C ATOM 392 CE LYS A 25 -0.203 -7.836 -11.349 1.00 10.13 C ATOM 393 NZ LYS A 25 -1.131 -8.796 -11.974 1.00 24.25 N ATOM 0 H LYS A 25 -0.111 -6.630 -5.539 1.00 11.22 H new ATOM 0 HA LYS A 25 -2.175 -5.860 -7.261 1.00 13.15 H new ATOM 0 HB2 LYS A 25 0.100 -7.498 -7.219 1.00 32.34 H new ATOM 0 HB3 LYS A 25 -1.203 -8.654 -7.407 1.00 32.34 H new ATOM 0 HG2 LYS A 25 -2.066 -7.415 -9.366 1.00 74.42 H new ATOM 0 HG3 LYS A 25 -0.842 -6.178 -9.153 1.00 74.42 H new ATOM 0 HD2 LYS A 25 0.958 -7.836 -9.536 1.00 24.23 H new ATOM 0 HD3 LYS A 25 -0.217 -9.132 -9.630 1.00 24.23 H new ATOM 0 HE2 LYS A 25 -0.560 -6.821 -11.523 1.00 10.13 H new ATOM 0 HE3 LYS A 25 0.775 -7.916 -11.823 1.00 10.13 H new ATOM 0 HZ1 LYS A 25 -1.199 -8.600 -12.993 1.00 24.25 H new ATOM 0 HZ2 LYS A 25 -0.778 -9.764 -11.831 1.00 24.25 H new ATOM 0 HZ3 LYS A 25 -2.071 -8.703 -11.540 1.00 24.25 H new ATOM 407 N ASN A 26 -3.124 -8.168 -5.151 1.00 42.21 N ATOM 408 CA ASN A 26 -4.313 -8.875 -4.653 1.00 52.54 C ATOM 409 C ASN A 26 -5.249 -7.910 -3.934 1.00 73.34 C ATOM 410 O ASN A 26 -6.465 -8.110 -3.950 1.00 72.23 O ATOM 411 CB ASN A 26 -3.935 -10.009 -3.687 1.00 64.22 C ATOM 412 CG ASN A 26 -3.562 -11.308 -4.378 1.00 31.24 C ATOM 413 OD1 ASN A 26 -3.701 -12.381 -3.801 1.00 51.32 O ATOM 414 ND2 ASN A 26 -3.029 -11.258 -5.588 1.00 71.55 N ATOM 0 H ASN A 26 -2.296 -8.293 -4.569 1.00 42.21 H new ATOM 0 HA ASN A 26 -4.815 -9.303 -5.520 1.00 52.54 H new ATOM 0 HB2 ASN A 26 -3.097 -9.683 -3.070 1.00 64.22 H new ATOM 0 HB3 ASN A 26 -4.773 -10.194 -3.014 1.00 64.22 H new ATOM 0 HD21 ASN A 26 -2.729 -12.117 -6.049 1.00 71.55 H new ATOM 0 HD22 ASN A 26 -2.918 -10.360 -6.060 1.00 71.55 H new ATOM 421 N SER A 27 -4.700 -6.910 -3.242 1.00 31.31 N ATOM 422 CA SER A 27 -5.478 -5.908 -2.532 1.00 22.30 C ATOM 423 C SER A 27 -6.136 -4.966 -3.552 1.00 33.42 C ATOM 424 O SER A 27 -7.234 -4.489 -3.296 1.00 63.34 O ATOM 425 CB SER A 27 -4.603 -5.179 -1.500 1.00 72.30 C ATOM 426 OG SER A 27 -3.216 -5.424 -1.629 1.00 31.55 O ATOM 0 H SER A 27 -3.692 -6.777 -3.161 1.00 31.31 H new ATOM 0 HA SER A 27 -6.279 -6.380 -1.963 1.00 22.30 H new ATOM 0 HB2 SER A 27 -4.779 -4.107 -1.586 1.00 72.30 H new ATOM 0 HB3 SER A 27 -4.920 -5.475 -0.500 1.00 72.30 H new ATOM 0 HG SER A 27 -2.730 -4.925 -0.940 1.00 31.55 H new ATOM 432 N SER A 28 -5.537 -4.782 -4.729 1.00 4.12 N ATOM 433 CA SER A 28 -6.008 -3.957 -5.835 1.00 23.51 C ATOM 434 C SER A 28 -6.216 -2.465 -5.488 1.00 41.42 C ATOM 435 O SER A 28 -7.355 -1.980 -5.538 1.00 51.33 O ATOM 436 CB SER A 28 -7.248 -4.617 -6.451 1.00 52.51 C ATOM 437 OG SER A 28 -7.016 -5.980 -6.770 1.00 33.14 O ATOM 0 H SER A 28 -4.651 -5.237 -4.947 1.00 4.12 H new ATOM 0 HA SER A 28 -5.213 -3.917 -6.580 1.00 23.51 H new ATOM 0 HB2 SER A 28 -8.083 -4.544 -5.754 1.00 52.51 H new ATOM 0 HB3 SER A 28 -7.537 -4.077 -7.352 1.00 52.51 H new ATOM 0 HG SER A 28 -6.051 -6.152 -6.789 1.00 33.14 H new ATOM 443 N PRO A 29 -5.129 -1.725 -5.177 1.00 22.03 N ATOM 444 CA PRO A 29 -5.182 -0.297 -4.856 1.00 44.32 C ATOM 445 C PRO A 29 -5.672 0.538 -6.046 1.00 21.40 C ATOM 446 O PRO A 29 -5.708 0.068 -7.188 1.00 11.25 O ATOM 447 CB PRO A 29 -3.761 0.106 -4.442 1.00 12.52 C ATOM 448 CG PRO A 29 -2.861 -1.019 -4.941 1.00 62.23 C ATOM 449 CD PRO A 29 -3.765 -2.230 -5.092 1.00 30.43 C ATOM 0 HA PRO A 29 -5.895 -0.111 -4.053 1.00 44.32 H new ATOM 0 HB2 PRO A 29 -3.479 1.061 -4.885 1.00 12.52 H new ATOM 0 HB3 PRO A 29 -3.684 0.221 -3.361 1.00 12.52 H new ATOM 0 HG2 PRO A 29 -2.396 -0.756 -5.891 1.00 62.23 H new ATOM 0 HG3 PRO A 29 -2.054 -1.218 -4.235 1.00 62.23 H new ATOM 0 HD2 PRO A 29 -3.506 -2.798 -5.986 1.00 30.43 H new ATOM 0 HD3 PRO A 29 -3.654 -2.904 -4.243 1.00 30.43 H new ATOM 457 N ASP A 30 -6.049 1.785 -5.771 1.00 3.31 N ATOM 458 CA ASP A 30 -6.548 2.762 -6.729 1.00 50.51 C ATOM 459 C ASP A 30 -5.384 3.573 -7.271 1.00 63.11 C ATOM 460 O ASP A 30 -5.306 3.853 -8.470 1.00 32.42 O ATOM 461 CB ASP A 30 -7.529 3.728 -6.046 1.00 1.40 C ATOM 462 CG ASP A 30 -8.035 4.788 -7.026 1.00 63.03 C ATOM 463 OD1 ASP A 30 -8.390 4.412 -8.166 1.00 42.22 O ATOM 464 OD2 ASP A 30 -8.083 5.981 -6.651 1.00 62.13 O ATOM 0 H ASP A 30 -6.012 2.158 -4.822 1.00 3.31 H new ATOM 0 HA ASP A 30 -7.056 2.231 -7.534 1.00 50.51 H new ATOM 0 HB2 ASP A 30 -8.373 3.168 -5.644 1.00 1.40 H new ATOM 0 HB3 ASP A 30 -7.038 4.214 -5.203 1.00 1.40 H new ATOM 469 N GLN A 31 -4.448 3.935 -6.391 1.00 31.12 N ATOM 470 CA GLN A 31 -3.277 4.720 -6.747 1.00 14.25 C ATOM 471 C GLN A 31 -2.023 4.177 -6.078 1.00 54.54 C ATOM 472 O GLN A 31 -2.110 3.346 -5.177 1.00 71.05 O ATOM 473 CB GLN A 31 -3.499 6.199 -6.384 1.00 73.41 C ATOM 474 CG GLN A 31 -2.723 7.182 -7.277 1.00 74.42 C ATOM 475 CD GLN A 31 -3.361 7.270 -8.651 1.00 63.22 C ATOM 476 OE1 GLN A 31 -3.008 6.512 -9.551 1.00 73.00 O ATOM 477 NE2 GLN A 31 -4.346 8.132 -8.807 1.00 34.24 N ATOM 0 H GLN A 31 -4.487 3.686 -5.403 1.00 31.12 H new ATOM 0 HA GLN A 31 -3.130 4.645 -7.824 1.00 14.25 H new ATOM 0 HB2 GLN A 31 -4.563 6.424 -6.452 1.00 73.41 H new ATOM 0 HB3 GLN A 31 -3.205 6.356 -5.346 1.00 73.41 H new ATOM 0 HG2 GLN A 31 -2.707 8.168 -6.813 1.00 74.42 H new ATOM 0 HG3 GLN A 31 -1.687 6.857 -7.371 1.00 74.42 H new ATOM 0 HE21 GLN A 31 -4.613 8.746 -8.038 1.00 34.24 H new ATOM 0 HE22 GLN A 31 -4.842 8.184 -9.697 1.00 34.24 H new ATOM 486 N ILE A 32 -0.858 4.604 -6.574 1.00 1.21 N ATOM 487 CA ILE A 32 0.460 4.228 -6.085 1.00 11.11 C ATOM 488 C ILE A 32 1.384 5.396 -6.392 1.00 62.21 C ATOM 489 O ILE A 32 1.479 5.814 -7.551 1.00 64.02 O ATOM 490 CB ILE A 32 1.028 2.966 -6.782 1.00 73.31 C ATOM 491 CG1 ILE A 32 0.034 1.794 -6.800 1.00 3.01 C ATOM 492 CG2 ILE A 32 2.337 2.520 -6.097 1.00 23.01 C ATOM 493 CD1 ILE A 32 0.432 0.695 -7.775 1.00 12.02 C ATOM 0 H ILE A 32 -0.812 5.250 -7.362 1.00 1.21 H new ATOM 0 HA ILE A 32 0.386 4.000 -5.022 1.00 11.11 H new ATOM 0 HB ILE A 32 1.222 3.245 -7.818 1.00 73.31 H new ATOM 0 HG12 ILE A 32 -0.042 1.373 -5.797 1.00 3.01 H new ATOM 0 HG13 ILE A 32 -0.955 2.167 -7.065 1.00 3.01 H new ATOM 0 HG21 ILE A 32 2.725 1.632 -6.597 1.00 23.01 H new ATOM 0 HG22 ILE A 32 3.072 3.322 -6.160 1.00 23.01 H new ATOM 0 HG23 ILE A 32 2.140 2.290 -5.050 1.00 23.01 H new ATOM 0 HD11 ILE A 32 -0.308 -0.105 -7.743 1.00 12.02 H new ATOM 0 HD12 ILE A 32 0.481 1.104 -8.784 1.00 12.02 H new ATOM 0 HD13 ILE A 32 1.408 0.298 -7.497 1.00 12.02 H new ATOM 505 N ARG A 33 2.082 5.898 -5.378 1.00 61.50 N ATOM 506 CA ARG A 33 3.039 6.978 -5.472 1.00 71.31 C ATOM 507 C ARG A 33 4.199 6.628 -4.563 1.00 5.14 C ATOM 508 O ARG A 33 4.050 6.712 -3.345 1.00 12.25 O ATOM 509 CB ARG A 33 2.383 8.296 -5.048 1.00 20.50 C ATOM 510 CG ARG A 33 3.066 9.479 -5.717 1.00 74.42 C ATOM 511 CD ARG A 33 4.507 9.703 -5.247 1.00 51.40 C ATOM 512 NE ARG A 33 5.019 11.007 -5.683 1.00 52.23 N ATOM 513 CZ ARG A 33 6.208 11.279 -6.236 1.00 12.25 C ATOM 514 NH1 ARG A 33 7.168 10.374 -6.377 1.00 44.20 N ATOM 515 NH2 ARG A 33 6.430 12.518 -6.636 1.00 34.45 N ATOM 0 H ARG A 33 1.986 5.541 -4.427 1.00 61.50 H new ATOM 0 HA ARG A 33 3.391 7.106 -6.496 1.00 71.31 H new ATOM 0 HB2 ARG A 33 1.326 8.283 -5.313 1.00 20.50 H new ATOM 0 HB3 ARG A 33 2.439 8.403 -3.965 1.00 20.50 H new ATOM 0 HG2 ARG A 33 3.065 9.326 -6.796 1.00 74.42 H new ATOM 0 HG3 ARG A 33 2.485 10.381 -5.522 1.00 74.42 H new ATOM 0 HD2 ARG A 33 4.550 9.639 -4.160 1.00 51.40 H new ATOM 0 HD3 ARG A 33 5.146 8.911 -5.638 1.00 51.40 H new ATOM 0 HE ARG A 33 4.394 11.802 -5.549 1.00 52.23 H new ATOM 0 HH11 ARG A 33 7.018 9.417 -6.057 1.00 44.20 H new ATOM 0 HH12 ARG A 33 8.056 10.635 -6.806 1.00 44.20 H new ATOM 0 HH21 ARG A 33 5.708 13.229 -6.519 1.00 34.45 H new ATOM 0 HH22 ARG A 33 7.324 12.764 -7.062 1.00 34.45 H new ATOM 529 N LEU A 34 5.330 6.205 -5.122 1.00 44.22 N ATOM 530 CA LEU A 34 6.509 5.866 -4.337 1.00 1.10 C ATOM 531 C LEU A 34 7.309 7.151 -4.137 1.00 60.34 C ATOM 532 O LEU A 34 7.601 7.839 -5.118 1.00 65.10 O ATOM 533 CB LEU A 34 7.307 4.768 -5.073 1.00 23.21 C ATOM 534 CG LEU A 34 8.603 4.249 -4.400 1.00 73.14 C ATOM 535 CD1 LEU A 34 9.810 5.084 -4.839 1.00 63.50 C ATOM 536 CD2 LEU A 34 8.508 4.214 -2.872 1.00 51.43 C ATOM 0 H LEU A 34 5.453 6.089 -6.128 1.00 44.22 H new ATOM 0 HA LEU A 34 6.253 5.464 -3.357 1.00 1.10 H new ATOM 0 HB2 LEU A 34 6.644 3.917 -5.226 1.00 23.21 H new ATOM 0 HB3 LEU A 34 7.570 5.149 -6.060 1.00 23.21 H new ATOM 0 HG LEU A 34 8.736 3.220 -4.733 1.00 73.14 H new ATOM 0 HD11 LEU A 34 10.710 4.704 -4.356 1.00 63.50 H new ATOM 0 HD12 LEU A 34 9.924 5.018 -5.921 1.00 63.50 H new ATOM 0 HD13 LEU A 34 9.656 6.124 -4.553 1.00 63.50 H new ATOM 0 HD21 LEU A 34 9.445 3.842 -2.458 1.00 51.43 H new ATOM 0 HD22 LEU A 34 8.319 5.219 -2.496 1.00 51.43 H new ATOM 0 HD23 LEU A 34 7.692 3.555 -2.573 1.00 51.43 H new ATOM 548 N ARG A 35 7.623 7.519 -2.894 1.00 25.11 N ATOM 549 CA ARG A 35 8.418 8.696 -2.559 1.00 15.53 C ATOM 550 C ARG A 35 9.721 8.174 -1.972 1.00 65.41 C ATOM 551 O ARG A 35 9.843 8.001 -0.753 1.00 24.21 O ATOM 552 CB ARG A 35 7.689 9.660 -1.615 1.00 42.13 C ATOM 553 CG ARG A 35 6.433 10.234 -2.273 1.00 61.51 C ATOM 554 CD ARG A 35 6.033 11.548 -1.608 1.00 1.24 C ATOM 555 NE ARG A 35 4.718 12.008 -2.076 1.00 33.15 N ATOM 556 CZ ARG A 35 4.316 13.279 -2.165 1.00 14.25 C ATOM 557 NH1 ARG A 35 5.169 14.294 -2.069 1.00 34.02 N ATOM 558 NH2 ARG A 35 3.027 13.507 -2.352 1.00 22.23 N ATOM 0 H ARG A 35 7.323 6.992 -2.074 1.00 25.11 H new ATOM 0 HA ARG A 35 8.607 9.297 -3.449 1.00 15.53 H new ATOM 0 HB2 ARG A 35 7.416 9.138 -0.698 1.00 42.13 H new ATOM 0 HB3 ARG A 35 8.358 10.472 -1.332 1.00 42.13 H new ATOM 0 HG2 ARG A 35 6.615 10.398 -3.335 1.00 61.51 H new ATOM 0 HG3 ARG A 35 5.615 9.517 -2.196 1.00 61.51 H new ATOM 0 HD2 ARG A 35 6.011 11.418 -0.526 1.00 1.24 H new ATOM 0 HD3 ARG A 35 6.784 12.309 -1.822 1.00 1.24 H new ATOM 0 HE ARG A 35 4.051 11.291 -2.359 1.00 33.15 H new ATOM 0 HH11 ARG A 35 6.162 14.113 -1.923 1.00 34.02 H new ATOM 0 HH12 ARG A 35 4.830 15.253 -2.141 1.00 34.02 H new ATOM 0 HH21 ARG A 35 2.376 12.725 -2.423 1.00 22.23 H new ATOM 0 HH22 ARG A 35 2.684 14.465 -2.425 1.00 22.23 H new ATOM 572 N ALA A 36 10.686 7.885 -2.849 1.00 35.02 N ATOM 573 CA ALA A 36 11.994 7.368 -2.462 1.00 71.32 C ATOM 574 C ALA A 36 12.680 8.303 -1.463 1.00 25.32 C ATOM 575 O ALA A 36 13.351 7.820 -0.550 1.00 21.02 O ATOM 576 CB ALA A 36 12.853 7.156 -3.708 1.00 63.14 C ATOM 0 H ALA A 36 10.577 8.006 -3.856 1.00 35.02 H new ATOM 0 HA ALA A 36 11.862 6.407 -1.965 1.00 71.32 H new ATOM 0 HB1 ALA A 36 13.829 6.770 -3.415 1.00 63.14 H new ATOM 0 HB2 ALA A 36 12.364 6.442 -4.370 1.00 63.14 H new ATOM 0 HB3 ALA A 36 12.979 8.105 -4.229 1.00 63.14 H new ATOM 582 N ASP A 37 12.385 9.606 -1.550 1.00 71.44 N ATOM 583 CA ASP A 37 12.903 10.691 -0.714 1.00 1.02 C ATOM 584 C ASP A 37 12.731 10.428 0.789 1.00 40.30 C ATOM 585 O ASP A 37 13.437 11.030 1.595 1.00 5.01 O ATOM 586 CB ASP A 37 12.142 11.992 -1.029 1.00 34.24 C ATOM 587 CG ASP A 37 12.474 12.589 -2.388 1.00 15.42 C ATOM 588 OD1 ASP A 37 11.782 12.249 -3.380 1.00 4.00 O ATOM 589 OD2 ASP A 37 13.371 13.454 -2.470 1.00 61.35 O ATOM 0 H ASP A 37 11.734 9.951 -2.255 1.00 71.44 H new ATOM 0 HA ASP A 37 13.967 10.766 -0.939 1.00 1.02 H new ATOM 0 HB2 ASP A 37 11.071 11.795 -0.982 1.00 34.24 H new ATOM 0 HB3 ASP A 37 12.365 12.728 -0.256 1.00 34.24 H new ATOM 594 N LYS A 38 11.762 9.592 1.174 1.00 3.43 N ATOM 595 CA LYS A 38 11.477 9.225 2.561 1.00 15.35 C ATOM 596 C LYS A 38 11.307 7.708 2.727 1.00 32.24 C ATOM 597 O LYS A 38 11.053 7.252 3.848 1.00 50.14 O ATOM 598 CB LYS A 38 10.244 10.012 3.039 1.00 62.20 C ATOM 599 CG LYS A 38 10.554 11.404 3.600 1.00 72.31 C ATOM 600 CD LYS A 38 10.976 11.318 5.071 1.00 12.20 C ATOM 601 CE LYS A 38 10.911 12.706 5.708 1.00 2.22 C ATOM 602 NZ LYS A 38 10.911 12.609 7.177 1.00 1.12 N ATOM 0 H LYS A 38 11.136 9.139 0.508 1.00 3.43 H new ATOM 0 HA LYS A 38 12.327 9.492 3.189 1.00 15.35 H new ATOM 0 HB2 LYS A 38 9.550 10.117 2.205 1.00 62.20 H new ATOM 0 HB3 LYS A 38 9.733 9.431 3.807 1.00 62.20 H new ATOM 0 HG2 LYS A 38 11.349 11.867 3.016 1.00 72.31 H new ATOM 0 HG3 LYS A 38 9.676 12.043 3.506 1.00 72.31 H new ATOM 0 HD2 LYS A 38 10.322 10.630 5.607 1.00 12.20 H new ATOM 0 HD3 LYS A 38 11.988 10.920 5.146 1.00 12.20 H new ATOM 0 HE2 LYS A 38 11.762 13.302 5.379 1.00 2.22 H new ATOM 0 HE3 LYS A 38 10.011 13.223 5.373 1.00 2.22 H new ATOM 0 HZ1 LYS A 38 10.866 13.563 7.588 1.00 1.12 H new ATOM 0 HZ2 LYS A 38 10.085 12.059 7.489 1.00 1.12 H new ATOM 0 HZ3 LYS A 38 11.781 12.136 7.494 1.00 1.12 H new ATOM 616 N GLY A 39 11.428 6.924 1.649 1.00 53.52 N ATOM 617 CA GLY A 39 11.282 5.476 1.670 1.00 74.13 C ATOM 618 C GLY A 39 9.866 5.099 2.071 1.00 75.31 C ATOM 619 O GLY A 39 9.683 4.185 2.867 1.00 61.25 O ATOM 0 H GLY A 39 11.635 7.293 0.721 1.00 53.52 H new ATOM 0 HA2 GLY A 39 11.511 5.065 0.687 1.00 74.13 H new ATOM 0 HA3 GLY A 39 11.995 5.041 2.371 1.00 74.13 H new ATOM 623 N ILE A 40 8.868 5.807 1.552 1.00 53.42 N ATOM 624 CA ILE A 40 7.457 5.603 1.819 1.00 72.14 C ATOM 625 C ILE A 40 6.684 5.703 0.516 1.00 43.44 C ATOM 626 O ILE A 40 7.219 6.152 -0.499 1.00 42.11 O ATOM 627 CB ILE A 40 6.927 6.665 2.815 1.00 35.52 C ATOM 628 CG1 ILE A 40 7.459 8.055 2.467 1.00 0.34 C ATOM 629 CG2 ILE A 40 7.298 6.342 4.268 1.00 24.42 C ATOM 630 CD1 ILE A 40 6.652 9.227 3.040 1.00 73.20 C ATOM 0 H ILE A 40 9.035 6.575 0.902 1.00 53.42 H new ATOM 0 HA ILE A 40 7.322 4.616 2.261 1.00 72.14 H new ATOM 0 HB ILE A 40 5.841 6.649 2.726 1.00 35.52 H new ATOM 0 HG12 ILE A 40 8.486 8.133 2.824 1.00 0.34 H new ATOM 0 HG13 ILE A 40 7.491 8.153 1.382 1.00 0.34 H new ATOM 0 HG21 ILE A 40 6.903 7.117 4.925 1.00 24.42 H new ATOM 0 HG22 ILE A 40 6.872 5.378 4.547 1.00 24.42 H new ATOM 0 HG23 ILE A 40 8.383 6.301 4.366 1.00 24.42 H new ATOM 0 HD11 ILE A 40 7.111 10.168 2.736 1.00 73.20 H new ATOM 0 HD12 ILE A 40 5.630 9.184 2.663 1.00 73.20 H new ATOM 0 HD13 ILE A 40 6.641 9.164 4.128 1.00 73.20 H new ATOM 642 N ALA A 41 5.427 5.289 0.550 1.00 61.25 N ATOM 643 CA ALA A 41 4.526 5.330 -0.574 1.00 34.23 C ATOM 644 C ALA A 41 3.132 5.677 -0.064 1.00 23.23 C ATOM 645 O ALA A 41 2.859 5.623 1.144 1.00 62.00 O ATOM 646 CB ALA A 41 4.524 3.974 -1.297 1.00 0.54 C ATOM 0 H ALA A 41 4.999 4.904 1.392 1.00 61.25 H new ATOM 0 HA ALA A 41 4.848 6.088 -1.288 1.00 34.23 H new ATOM 0 HB1 ALA A 41 3.840 4.015 -2.145 1.00 0.54 H new ATOM 0 HB2 ALA A 41 5.530 3.750 -1.652 1.00 0.54 H new ATOM 0 HB3 ALA A 41 4.201 3.194 -0.607 1.00 0.54 H new ATOM 652 N PHE A 42 2.249 6.029 -0.990 1.00 24.24 N ATOM 653 CA PHE A 42 0.855 6.359 -0.729 1.00 43.41 C ATOM 654 C PHE A 42 0.058 5.542 -1.731 1.00 12.12 C ATOM 655 O PHE A 42 0.295 5.651 -2.941 1.00 5.21 O ATOM 656 CB PHE A 42 0.560 7.856 -0.832 1.00 41.23 C ATOM 657 CG PHE A 42 1.295 8.692 0.197 1.00 41.24 C ATOM 658 CD1 PHE A 42 0.739 8.880 1.477 1.00 30.31 C ATOM 659 CD2 PHE A 42 2.541 9.266 -0.118 1.00 74.54 C ATOM 660 CE1 PHE A 42 1.408 9.666 2.430 1.00 31.23 C ATOM 661 CE2 PHE A 42 3.201 10.065 0.832 1.00 20.24 C ATOM 662 CZ PHE A 42 2.630 10.276 2.100 1.00 52.40 C ATOM 0 H PHE A 42 2.493 6.095 -1.978 1.00 24.24 H new ATOM 0 HA PHE A 42 0.583 6.116 0.298 1.00 43.41 H new ATOM 0 HB2 PHE A 42 0.830 8.203 -1.829 1.00 41.23 H new ATOM 0 HB3 PHE A 42 -0.512 8.015 -0.718 1.00 41.23 H new ATOM 0 HD1 PHE A 42 -0.205 8.418 1.727 1.00 30.31 H new ATOM 0 HD2 PHE A 42 2.988 9.093 -1.086 1.00 74.54 H new ATOM 0 HE1 PHE A 42 0.984 9.801 3.414 1.00 31.23 H new ATOM 0 HE2 PHE A 42 4.150 10.519 0.587 1.00 20.24 H new ATOM 0 HZ PHE A 42 3.131 10.907 2.820 1.00 52.40 H new ATOM 672 N LEU A 43 -0.797 4.668 -1.207 1.00 30.12 N ATOM 673 CA LEU A 43 -1.663 3.790 -1.955 1.00 31.31 C ATOM 674 C LEU A 43 -3.074 4.069 -1.474 1.00 53.23 C ATOM 675 O LEU A 43 -3.422 3.770 -0.330 1.00 21.23 O ATOM 676 CB LEU A 43 -1.276 2.311 -1.799 1.00 71.34 C ATOM 677 CG LEU A 43 0.019 1.954 -2.557 1.00 25.01 C ATOM 678 CD1 LEU A 43 1.278 2.010 -1.691 1.00 73.22 C ATOM 679 CD2 LEU A 43 -0.082 0.550 -3.145 1.00 33.42 C ATOM 0 H LEU A 43 -0.902 4.555 -0.199 1.00 30.12 H new ATOM 0 HA LEU A 43 -1.574 3.984 -3.024 1.00 31.31 H new ATOM 0 HB2 LEU A 43 -1.148 2.082 -0.741 1.00 71.34 H new ATOM 0 HB3 LEU A 43 -2.091 1.686 -2.164 1.00 71.34 H new ATOM 0 HG LEU A 43 0.115 2.710 -3.336 1.00 25.01 H new ATOM 0 HD11 LEU A 43 2.147 1.747 -2.294 1.00 73.22 H new ATOM 0 HD12 LEU A 43 1.403 3.018 -1.295 1.00 73.22 H new ATOM 0 HD13 LEU A 43 1.183 1.305 -0.865 1.00 73.22 H new ATOM 0 HD21 LEU A 43 0.839 0.311 -3.677 1.00 33.42 H new ATOM 0 HD22 LEU A 43 -0.234 -0.171 -2.342 1.00 33.42 H new ATOM 0 HD23 LEU A 43 -0.923 0.505 -3.837 1.00 33.42 H new ATOM 691 N GLU A 44 -3.845 4.699 -2.347 1.00 74.45 N ATOM 692 CA GLU A 44 -5.226 5.088 -2.148 1.00 1.44 C ATOM 693 C GLU A 44 -6.140 3.903 -2.456 1.00 44.45 C ATOM 694 O GLU A 44 -5.799 3.079 -3.309 1.00 43.30 O ATOM 695 CB GLU A 44 -5.555 6.203 -3.152 1.00 12.42 C ATOM 696 CG GLU A 44 -5.096 7.611 -2.744 1.00 1.53 C ATOM 697 CD GLU A 44 -3.633 7.921 -3.083 1.00 34.12 C ATOM 698 OE1 GLU A 44 -2.700 7.349 -2.494 1.00 44.14 O ATOM 699 OE2 GLU A 44 -3.412 8.778 -3.978 1.00 33.24 O ATOM 0 H GLU A 44 -3.499 4.967 -3.268 1.00 74.45 H new ATOM 0 HA GLU A 44 -5.372 5.418 -1.119 1.00 1.44 H new ATOM 0 HB2 GLU A 44 -5.098 5.953 -4.110 1.00 12.42 H new ATOM 0 HB3 GLU A 44 -6.634 6.222 -3.309 1.00 12.42 H new ATOM 0 HG2 GLU A 44 -5.734 8.345 -3.236 1.00 1.53 H new ATOM 0 HG3 GLU A 44 -5.241 7.731 -1.670 1.00 1.53 H new ATOM 706 N PHE A 45 -7.323 3.862 -1.837 1.00 51.34 N ATOM 707 CA PHE A 45 -8.324 2.820 -2.029 1.00 64.23 C ATOM 708 C PHE A 45 -9.719 3.458 -1.945 1.00 44.11 C ATOM 709 O PHE A 45 -10.140 3.892 -0.867 1.00 10.22 O ATOM 710 CB PHE A 45 -8.175 1.706 -0.979 1.00 52.41 C ATOM 711 CG PHE A 45 -6.972 0.785 -1.110 1.00 13.04 C ATOM 712 CD1 PHE A 45 -5.692 1.217 -0.723 1.00 44.31 C ATOM 713 CD2 PHE A 45 -7.139 -0.534 -1.575 1.00 51.35 C ATOM 714 CE1 PHE A 45 -4.591 0.350 -0.816 1.00 22.44 C ATOM 715 CE2 PHE A 45 -6.043 -1.413 -1.638 1.00 25.43 C ATOM 716 CZ PHE A 45 -4.764 -0.972 -1.253 1.00 22.43 C ATOM 0 H PHE A 45 -7.615 4.576 -1.170 1.00 51.34 H new ATOM 0 HA PHE A 45 -8.184 2.363 -3.008 1.00 64.23 H new ATOM 0 HB2 PHE A 45 -8.138 2.172 0.006 1.00 52.41 H new ATOM 0 HB3 PHE A 45 -9.075 1.092 -1.007 1.00 52.41 H new ATOM 0 HD1 PHE A 45 -5.554 2.222 -0.352 1.00 44.31 H new ATOM 0 HD2 PHE A 45 -8.116 -0.873 -1.886 1.00 51.35 H new ATOM 0 HE1 PHE A 45 -3.606 0.703 -0.550 1.00 22.44 H new ATOM 0 HE2 PHE A 45 -6.183 -2.427 -1.982 1.00 25.43 H new ATOM 0 HZ PHE A 45 -3.921 -1.646 -1.293 1.00 22.43 H new ATOM 726 N ASP A 46 -10.417 3.566 -3.083 1.00 24.41 N ATOM 727 CA ASP A 46 -11.765 4.138 -3.150 1.00 54.22 C ATOM 728 C ASP A 46 -12.780 3.172 -2.539 1.00 35.24 C ATOM 729 O ASP A 46 -12.951 2.037 -2.998 1.00 13.42 O ATOM 730 CB ASP A 46 -12.199 4.511 -4.575 1.00 73.34 C ATOM 731 CG ASP A 46 -13.636 5.065 -4.578 1.00 4.11 C ATOM 732 OD1 ASP A 46 -14.086 5.596 -3.538 1.00 53.20 O ATOM 733 OD2 ASP A 46 -14.345 4.880 -5.588 1.00 72.44 O ATOM 0 H ASP A 46 -10.059 3.257 -3.987 1.00 24.41 H new ATOM 0 HA ASP A 46 -11.733 5.064 -2.576 1.00 54.22 H new ATOM 0 HB2 ASP A 46 -11.516 5.255 -4.986 1.00 73.34 H new ATOM 0 HB3 ASP A 46 -12.140 3.634 -5.220 1.00 73.34 H new ATOM 738 N ALA A 47 -13.392 3.610 -1.446 1.00 34.23 N ATOM 739 CA ALA A 47 -14.405 2.917 -0.680 1.00 4.41 C ATOM 740 C ALA A 47 -15.757 2.956 -1.367 1.00 1.43 C ATOM 741 O ALA A 47 -16.608 2.113 -1.075 1.00 12.25 O ATOM 742 CB ALA A 47 -14.540 3.550 0.706 1.00 52.14 C ATOM 0 H ALA A 47 -13.174 4.524 -1.049 1.00 34.23 H new ATOM 0 HA ALA A 47 -14.089 1.877 -0.594 1.00 4.41 H new ATOM 0 HB1 ALA A 47 -15.305 3.021 1.275 1.00 52.14 H new ATOM 0 HB2 ALA A 47 -13.587 3.484 1.231 1.00 52.14 H new ATOM 0 HB3 ALA A 47 -14.824 4.597 0.602 1.00 52.14 H new ATOM 748 N ASP A 48 -15.984 3.950 -2.222 1.00 14.43 N ATOM 749 CA ASP A 48 -17.241 4.094 -2.933 1.00 22.04 C ATOM 750 C ASP A 48 -17.306 3.120 -4.097 1.00 44.41 C ATOM 751 O ASP A 48 -18.402 2.708 -4.478 1.00 12.44 O ATOM 752 CB ASP A 48 -17.419 5.531 -3.436 1.00 3.54 C ATOM 753 CG ASP A 48 -18.827 6.063 -3.197 1.00 42.43 C ATOM 754 OD1 ASP A 48 -19.423 5.833 -2.117 1.00 61.25 O ATOM 755 OD2 ASP A 48 -19.283 6.882 -4.023 1.00 1.25 O ATOM 0 H ASP A 48 -15.300 4.675 -2.438 1.00 14.43 H new ATOM 0 HA ASP A 48 -18.052 3.868 -2.240 1.00 22.04 H new ATOM 0 HB2 ASP A 48 -16.699 6.179 -2.936 1.00 3.54 H new ATOM 0 HB3 ASP A 48 -17.196 5.570 -4.502 1.00 3.54 H new ATOM 760 N LYS A 49 -16.161 2.731 -4.669 1.00 64.53 N ATOM 761 CA LYS A 49 -16.104 1.799 -5.783 1.00 4.34 C ATOM 762 C LYS A 49 -16.459 0.386 -5.338 1.00 55.23 C ATOM 763 O LYS A 49 -17.102 -0.336 -6.100 1.00 51.31 O ATOM 764 CB LYS A 49 -14.681 1.847 -6.374 1.00 42.33 C ATOM 765 CG LYS A 49 -14.405 0.655 -7.287 1.00 73.41 C ATOM 766 CD LYS A 49 -13.078 0.706 -8.045 1.00 61.12 C ATOM 767 CE LYS A 49 -12.897 -0.606 -8.825 1.00 42.32 C ATOM 768 NZ LYS A 49 -12.576 -1.765 -7.960 1.00 43.23 N ATOM 0 H LYS A 49 -15.245 3.061 -4.364 1.00 64.53 H new ATOM 0 HA LYS A 49 -16.834 2.085 -6.540 1.00 4.34 H new ATOM 0 HB2 LYS A 49 -14.552 2.772 -6.935 1.00 42.33 H new ATOM 0 HB3 LYS A 49 -13.952 1.861 -5.564 1.00 42.33 H new ATOM 0 HG2 LYS A 49 -14.427 -0.254 -6.686 1.00 73.41 H new ATOM 0 HG3 LYS A 49 -15.216 0.578 -8.012 1.00 73.41 H new ATOM 0 HD2 LYS A 49 -13.067 1.555 -8.729 1.00 61.12 H new ATOM 0 HD3 LYS A 49 -12.252 0.847 -7.348 1.00 61.12 H new ATOM 0 HE2 LYS A 49 -13.810 -0.819 -9.381 1.00 42.32 H new ATOM 0 HE3 LYS A 49 -12.101 -0.477 -9.558 1.00 42.32 H new ATOM 0 HZ1 LYS A 49 -12.285 -2.569 -8.551 1.00 43.23 H new ATOM 0 HZ2 LYS A 49 -11.801 -1.512 -7.314 1.00 43.23 H new ATOM 0 HZ3 LYS A 49 -13.416 -2.028 -7.407 1.00 43.23 H new ATOM 782 N ASP A 50 -16.045 -0.005 -4.136 1.00 34.21 N ATOM 783 CA ASP A 50 -16.256 -1.341 -3.582 1.00 43.51 C ATOM 784 C ASP A 50 -16.832 -1.265 -2.161 1.00 75.51 C ATOM 785 O ASP A 50 -16.133 -1.507 -1.179 1.00 34.44 O ATOM 786 CB ASP A 50 -14.906 -2.096 -3.656 1.00 23.43 C ATOM 787 CG ASP A 50 -14.798 -3.008 -4.876 1.00 60.43 C ATOM 788 OD1 ASP A 50 -15.177 -4.196 -4.714 1.00 40.41 O ATOM 789 OD2 ASP A 50 -14.270 -2.600 -5.931 1.00 3.51 O ATOM 0 H ASP A 50 -15.540 0.615 -3.503 1.00 34.21 H new ATOM 0 HA ASP A 50 -16.998 -1.892 -4.160 1.00 43.51 H new ATOM 0 HB2 ASP A 50 -14.092 -1.372 -3.678 1.00 23.43 H new ATOM 0 HB3 ASP A 50 -14.779 -2.691 -2.752 1.00 23.43 H new ATOM 794 N ARG A 51 -18.128 -0.963 -2.015 1.00 50.12 N ATOM 795 CA ARG A 51 -18.798 -0.848 -0.705 1.00 43.51 C ATOM 796 C ARG A 51 -18.598 -2.055 0.189 1.00 25.30 C ATOM 797 O ARG A 51 -18.213 -1.902 1.352 1.00 61.24 O ATOM 798 CB ARG A 51 -20.300 -0.529 -0.877 1.00 14.22 C ATOM 799 CG ARG A 51 -20.766 0.715 -0.102 1.00 72.31 C ATOM 800 CD ARG A 51 -20.698 0.677 1.433 1.00 31.22 C ATOM 801 NE ARG A 51 -21.727 -0.205 2.011 1.00 45.04 N ATOM 802 CZ ARG A 51 -22.343 -0.086 3.194 1.00 22.23 C ATOM 803 NH1 ARG A 51 -22.023 0.870 4.060 1.00 1.20 N ATOM 804 NH2 ARG A 51 -23.281 -0.957 3.529 1.00 12.14 N ATOM 0 H ARG A 51 -18.749 -0.790 -2.805 1.00 50.12 H new ATOM 0 HA ARG A 51 -18.316 -0.014 -0.195 1.00 43.51 H new ATOM 0 HB2 ARG A 51 -20.512 -0.385 -1.937 1.00 14.22 H new ATOM 0 HB3 ARG A 51 -20.884 -1.389 -0.549 1.00 14.22 H new ATOM 0 HG2 ARG A 51 -20.170 1.562 -0.442 1.00 72.31 H new ATOM 0 HG3 ARG A 51 -21.799 0.917 -0.385 1.00 72.31 H new ATOM 0 HD2 ARG A 51 -19.711 0.334 1.743 1.00 31.22 H new ATOM 0 HD3 ARG A 51 -20.823 1.686 1.826 1.00 31.22 H new ATOM 0 HE ARG A 51 -22.004 -1.004 1.440 1.00 45.04 H new ATOM 0 HH11 ARG A 51 -21.289 1.540 3.831 1.00 1.20 H new ATOM 0 HH12 ARG A 51 -22.512 0.933 4.953 1.00 1.20 H new ATOM 0 HH21 ARG A 51 -23.529 -1.711 2.888 1.00 12.14 H new ATOM 0 HH22 ARG A 51 -23.756 -0.875 4.428 1.00 12.14 H new ATOM 818 N THR A 52 -18.794 -3.248 -0.357 1.00 24.53 N ATOM 819 CA THR A 52 -18.668 -4.485 0.394 1.00 34.31 C ATOM 820 C THR A 52 -17.282 -5.125 0.314 1.00 31.55 C ATOM 821 O THR A 52 -17.087 -6.209 0.877 1.00 44.04 O ATOM 822 CB THR A 52 -19.790 -5.456 -0.027 1.00 74.32 C ATOM 823 OG1 THR A 52 -20.897 -4.814 -0.648 1.00 73.24 O ATOM 824 CG2 THR A 52 -20.344 -6.125 1.223 1.00 22.31 C ATOM 0 H THR A 52 -19.046 -3.383 -1.336 1.00 24.53 H new ATOM 0 HA THR A 52 -18.784 -4.239 1.449 1.00 34.31 H new ATOM 0 HB THR A 52 -19.341 -6.150 -0.738 1.00 74.32 H new ATOM 0 HG1 THR A 52 -21.570 -5.484 -0.891 1.00 73.24 H new ATOM 0 HG21 THR A 52 -21.139 -6.816 0.944 1.00 22.31 H new ATOM 0 HG22 THR A 52 -19.547 -6.673 1.726 1.00 22.31 H new ATOM 0 HG23 THR A 52 -20.743 -5.366 1.896 1.00 22.31 H new ATOM 832 N GLY A 53 -16.305 -4.472 -0.320 1.00 72.43 N ATOM 833 CA GLY A 53 -14.975 -5.037 -0.460 1.00 13.45 C ATOM 834 C GLY A 53 -13.827 -4.095 -0.139 1.00 63.40 C ATOM 835 O GLY A 53 -12.697 -4.568 -0.125 1.00 42.41 O ATOM 0 H GLY A 53 -16.418 -3.551 -0.743 1.00 72.43 H new ATOM 0 HA2 GLY A 53 -14.899 -5.909 0.190 1.00 13.45 H new ATOM 0 HA3 GLY A 53 -14.856 -5.391 -1.484 1.00 13.45 H new ATOM 839 N ILE A 54 -14.048 -2.808 0.133 1.00 31.24 N ATOM 840 CA ILE A 54 -12.967 -1.882 0.474 1.00 21.21 C ATOM 841 C ILE A 54 -12.206 -2.436 1.679 1.00 74.33 C ATOM 842 O ILE A 54 -10.979 -2.451 1.670 1.00 10.35 O ATOM 843 CB ILE A 54 -13.510 -0.457 0.695 1.00 72.15 C ATOM 844 CG1 ILE A 54 -12.452 0.514 1.265 1.00 32.54 C ATOM 845 CG2 ILE A 54 -14.734 -0.389 1.618 1.00 52.40 C ATOM 846 CD1 ILE A 54 -11.267 0.750 0.335 1.00 25.51 C ATOM 0 H ILE A 54 -14.974 -2.381 0.123 1.00 31.24 H new ATOM 0 HA ILE A 54 -12.263 -1.799 -0.354 1.00 21.21 H new ATOM 0 HB ILE A 54 -13.801 -0.151 -0.310 1.00 72.15 H new ATOM 0 HG12 ILE A 54 -12.929 1.470 1.480 1.00 32.54 H new ATOM 0 HG13 ILE A 54 -12.085 0.121 2.213 1.00 32.54 H new ATOM 0 HG21 ILE A 54 -15.054 0.648 1.722 1.00 52.40 H new ATOM 0 HG22 ILE A 54 -15.545 -0.978 1.191 1.00 52.40 H new ATOM 0 HG23 ILE A 54 -14.473 -0.788 2.598 1.00 52.40 H new ATOM 0 HD11 ILE A 54 -10.568 1.442 0.805 1.00 25.51 H new ATOM 0 HD12 ILE A 54 -10.764 -0.197 0.139 1.00 25.51 H new ATOM 0 HD13 ILE A 54 -11.621 1.174 -0.605 1.00 25.51 H new ATOM 858 N GLN A 55 -12.937 -2.957 2.671 1.00 23.11 N ATOM 859 CA GLN A 55 -12.345 -3.542 3.863 1.00 14.03 C ATOM 860 C GLN A 55 -11.411 -4.671 3.414 1.00 1.02 C ATOM 861 O GLN A 55 -10.222 -4.622 3.693 1.00 32.11 O ATOM 862 CB GLN A 55 -13.453 -4.053 4.802 1.00 25.13 C ATOM 863 CG GLN A 55 -13.070 -4.112 6.287 1.00 60.11 C ATOM 864 CD GLN A 55 -11.590 -4.315 6.583 1.00 11.31 C ATOM 865 OE1 GLN A 55 -10.882 -3.357 6.888 1.00 21.11 O ATOM 866 NE2 GLN A 55 -11.110 -5.537 6.491 1.00 25.53 N ATOM 0 H GLN A 55 -13.957 -2.981 2.663 1.00 23.11 H new ATOM 0 HA GLN A 55 -11.771 -2.803 4.421 1.00 14.03 H new ATOM 0 HB2 GLN A 55 -14.326 -3.409 4.693 1.00 25.13 H new ATOM 0 HB3 GLN A 55 -13.750 -5.051 4.479 1.00 25.13 H new ATOM 0 HG2 GLN A 55 -13.392 -3.186 6.763 1.00 60.11 H new ATOM 0 HG3 GLN A 55 -13.629 -4.922 6.755 1.00 60.11 H new ATOM 0 HE21 GLN A 55 -11.726 -6.309 6.236 1.00 25.53 H new ATOM 0 HE22 GLN A 55 -10.122 -5.712 6.675 1.00 25.53 H new ATOM 875 N ARG A 56 -11.930 -5.651 2.660 1.00 35.03 N ATOM 876 CA ARG A 56 -11.167 -6.790 2.142 1.00 41.53 C ATOM 877 C ARG A 56 -9.893 -6.315 1.442 1.00 75.23 C ATOM 878 O ARG A 56 -8.819 -6.855 1.698 1.00 52.31 O ATOM 879 CB ARG A 56 -12.018 -7.619 1.160 1.00 42.31 C ATOM 880 CG ARG A 56 -13.151 -8.407 1.831 1.00 60.22 C ATOM 881 CD ARG A 56 -12.692 -9.811 2.228 1.00 64.43 C ATOM 882 NE ARG A 56 -12.562 -10.705 1.059 1.00 25.14 N ATOM 883 CZ ARG A 56 -12.306 -12.017 1.139 1.00 1.30 C ATOM 884 NH1 ARG A 56 -11.985 -12.562 2.301 1.00 70.32 N ATOM 885 NH2 ARG A 56 -12.387 -12.789 0.062 1.00 24.24 N ATOM 0 H ARG A 56 -12.913 -5.672 2.389 1.00 35.03 H new ATOM 0 HA ARG A 56 -10.893 -7.419 2.989 1.00 41.53 H new ATOM 0 HB2 ARG A 56 -12.446 -6.951 0.413 1.00 42.31 H new ATOM 0 HB3 ARG A 56 -11.368 -8.316 0.630 1.00 42.31 H new ATOM 0 HG2 ARG A 56 -13.495 -7.871 2.715 1.00 60.22 H new ATOM 0 HG3 ARG A 56 -14.000 -8.478 1.151 1.00 60.22 H new ATOM 0 HD2 ARG A 56 -11.733 -9.746 2.743 1.00 64.43 H new ATOM 0 HD3 ARG A 56 -13.404 -10.239 2.933 1.00 64.43 H new ATOM 0 HE ARG A 56 -12.674 -10.297 0.131 1.00 25.14 H new ATOM 0 HH11 ARG A 56 -11.932 -11.983 3.139 1.00 70.32 H new ATOM 0 HH12 ARG A 56 -11.791 -13.562 2.359 1.00 70.32 H new ATOM 0 HH21 ARG A 56 -12.646 -12.384 -0.837 1.00 24.24 H new ATOM 0 HH22 ARG A 56 -12.190 -13.787 0.134 1.00 24.24 H new ATOM 899 N ARG A 57 -10.012 -5.324 0.552 1.00 33.43 N ATOM 900 CA ARG A 57 -8.885 -4.765 -0.183 1.00 44.42 C ATOM 901 C ARG A 57 -7.824 -4.294 0.810 1.00 25.35 C ATOM 902 O ARG A 57 -6.652 -4.631 0.652 1.00 20.04 O ATOM 903 CB ARG A 57 -9.353 -3.622 -1.110 1.00 72.35 C ATOM 904 CG ARG A 57 -10.192 -4.101 -2.310 1.00 41.21 C ATOM 905 CD ARG A 57 -10.736 -2.954 -3.183 1.00 44.12 C ATOM 906 NE ARG A 57 -10.556 -3.138 -4.642 1.00 51.44 N ATOM 907 CZ ARG A 57 -10.750 -4.211 -5.426 1.00 35.02 C ATOM 908 NH1 ARG A 57 -11.190 -5.372 -4.960 1.00 52.45 N ATOM 909 NH2 ARG A 57 -10.488 -4.133 -6.722 1.00 40.44 N ATOM 0 H ARG A 57 -10.905 -4.887 0.323 1.00 33.43 H new ATOM 0 HA ARG A 57 -8.445 -5.531 -0.822 1.00 44.42 H new ATOM 0 HB2 ARG A 57 -9.940 -2.912 -0.528 1.00 72.35 H new ATOM 0 HB3 ARG A 57 -8.479 -3.086 -1.480 1.00 72.35 H new ATOM 0 HG2 ARG A 57 -9.582 -4.759 -2.929 1.00 41.21 H new ATOM 0 HG3 ARG A 57 -11.029 -4.695 -1.943 1.00 41.21 H new ATOM 0 HD2 ARG A 57 -11.799 -2.833 -2.976 1.00 44.12 H new ATOM 0 HD3 ARG A 57 -10.245 -2.027 -2.886 1.00 44.12 H new ATOM 0 HE ARG A 57 -10.229 -2.308 -5.136 1.00 51.44 H new ATOM 0 HH11 ARG A 57 -11.397 -5.478 -3.967 1.00 52.45 H new ATOM 0 HH12 ARG A 57 -11.322 -6.159 -5.595 1.00 52.45 H new ATOM 0 HH21 ARG A 57 -10.140 -3.261 -7.120 1.00 40.44 H new ATOM 0 HH22 ARG A 57 -10.634 -4.945 -7.322 1.00 40.44 H new ATOM 923 N MET A 58 -8.213 -3.537 1.833 1.00 24.31 N ATOM 924 CA MET A 58 -7.284 -3.043 2.839 1.00 2.42 C ATOM 925 C MET A 58 -6.735 -4.170 3.725 1.00 31.35 C ATOM 926 O MET A 58 -5.564 -4.127 4.069 1.00 1.22 O ATOM 927 CB MET A 58 -7.949 -1.929 3.651 1.00 11.10 C ATOM 928 CG MET A 58 -8.222 -0.710 2.760 1.00 32.11 C ATOM 929 SD MET A 58 -8.385 0.867 3.626 1.00 34.11 S ATOM 930 CE MET A 58 -9.809 0.594 4.703 1.00 63.43 C ATOM 0 H MET A 58 -9.180 -3.251 1.985 1.00 24.31 H new ATOM 0 HA MET A 58 -6.415 -2.623 2.333 1.00 2.42 H new ATOM 0 HB2 MET A 58 -8.883 -2.291 4.080 1.00 11.10 H new ATOM 0 HB3 MET A 58 -7.306 -1.643 4.483 1.00 11.10 H new ATOM 0 HG2 MET A 58 -7.413 -0.624 2.034 1.00 32.11 H new ATOM 0 HG3 MET A 58 -9.137 -0.891 2.197 1.00 32.11 H new ATOM 0 HE1 MET A 58 -9.907 1.430 5.395 1.00 63.43 H new ATOM 0 HE2 MET A 58 -10.713 0.515 4.099 1.00 63.43 H new ATOM 0 HE3 MET A 58 -9.668 -0.329 5.266 1.00 63.43 H new ATOM 940 N ASP A 59 -7.501 -5.226 4.000 1.00 3.21 N ATOM 941 CA ASP A 59 -7.141 -6.397 4.819 1.00 12.00 C ATOM 942 C ASP A 59 -5.898 -7.069 4.260 1.00 74.25 C ATOM 943 O ASP A 59 -4.917 -7.319 4.961 1.00 51.34 O ATOM 944 CB ASP A 59 -8.297 -7.407 4.748 1.00 40.51 C ATOM 945 CG ASP A 59 -8.544 -8.248 6.000 1.00 32.53 C ATOM 946 OD1 ASP A 59 -9.367 -7.826 6.838 1.00 13.15 O ATOM 947 OD2 ASP A 59 -8.095 -9.421 6.065 1.00 73.23 O ATOM 0 H ASP A 59 -8.451 -5.296 3.636 1.00 3.21 H new ATOM 0 HA ASP A 59 -6.952 -6.075 5.843 1.00 12.00 H new ATOM 0 HB2 ASP A 59 -9.212 -6.862 4.516 1.00 40.51 H new ATOM 0 HB3 ASP A 59 -8.109 -8.083 3.914 1.00 40.51 H new ATOM 952 N ILE A 60 -5.960 -7.349 2.956 1.00 71.14 N ATOM 953 CA ILE A 60 -4.911 -7.988 2.185 1.00 21.21 C ATOM 954 C ILE A 60 -3.691 -7.078 2.197 1.00 2.52 C ATOM 955 O ILE A 60 -2.569 -7.582 2.276 1.00 71.20 O ATOM 956 CB ILE A 60 -5.458 -8.282 0.768 1.00 22.23 C ATOM 957 CG1 ILE A 60 -6.595 -9.332 0.812 1.00 65.32 C ATOM 958 CG2 ILE A 60 -4.365 -8.764 -0.200 1.00 73.42 C ATOM 959 CD1 ILE A 60 -7.616 -9.149 -0.313 1.00 72.01 C ATOM 0 H ILE A 60 -6.780 -7.124 2.393 1.00 71.14 H new ATOM 0 HA ILE A 60 -4.601 -8.943 2.609 1.00 21.21 H new ATOM 0 HB ILE A 60 -5.848 -7.335 0.396 1.00 22.23 H new ATOM 0 HG12 ILE A 60 -6.164 -10.331 0.746 1.00 65.32 H new ATOM 0 HG13 ILE A 60 -7.105 -9.268 1.773 1.00 65.32 H new ATOM 0 HG21 ILE A 60 -4.805 -8.955 -1.179 1.00 73.42 H new ATOM 0 HG22 ILE A 60 -3.596 -7.997 -0.291 1.00 73.42 H new ATOM 0 HG23 ILE A 60 -3.919 -9.682 0.183 1.00 73.42 H new ATOM 0 HD11 ILE A 60 -8.389 -9.913 -0.231 1.00 72.01 H new ATOM 0 HD12 ILE A 60 -8.072 -8.162 -0.234 1.00 72.01 H new ATOM 0 HD13 ILE A 60 -7.116 -9.241 -1.277 1.00 72.01 H new ATOM 971 N ALA A 61 -3.892 -5.760 2.091 1.00 42.33 N ATOM 972 CA ALA A 61 -2.792 -4.818 2.117 1.00 3.25 C ATOM 973 C ALA A 61 -2.163 -4.803 3.513 1.00 53.30 C ATOM 974 O ALA A 61 -0.939 -4.805 3.597 1.00 43.42 O ATOM 975 CB ALA A 61 -3.258 -3.413 1.706 1.00 62.12 C ATOM 0 H ALA A 61 -4.811 -5.331 1.987 1.00 42.33 H new ATOM 0 HA ALA A 61 -2.040 -5.134 1.394 1.00 3.25 H new ATOM 0 HB1 ALA A 61 -2.412 -2.726 1.734 1.00 62.12 H new ATOM 0 HB2 ALA A 61 -3.665 -3.446 0.695 1.00 62.12 H new ATOM 0 HB3 ALA A 61 -4.028 -3.069 2.396 1.00 62.12 H new ATOM 981 N LEU A 62 -2.959 -4.832 4.593 1.00 73.23 N ATOM 982 CA LEU A 62 -2.402 -4.794 5.950 1.00 32.24 C ATOM 983 C LEU A 62 -1.593 -6.044 6.251 1.00 20.23 C ATOM 984 O LEU A 62 -0.612 -6.006 6.995 1.00 21.34 O ATOM 985 CB LEU A 62 -3.510 -4.642 6.995 1.00 74.40 C ATOM 986 CG LEU A 62 -4.061 -3.213 7.124 1.00 0.45 C ATOM 987 CD1 LEU A 62 -5.279 -3.247 8.051 1.00 63.03 C ATOM 988 CD2 LEU A 62 -3.009 -2.236 7.677 1.00 73.42 C ATOM 0 H LEU A 62 -3.977 -4.881 4.553 1.00 73.23 H new ATOM 0 HA LEU A 62 -1.742 -3.928 6.001 1.00 32.24 H new ATOM 0 HB2 LEU A 62 -4.329 -5.314 6.740 1.00 74.40 H new ATOM 0 HB3 LEU A 62 -3.126 -4.961 7.964 1.00 74.40 H new ATOM 0 HG LEU A 62 -4.339 -2.856 6.132 1.00 0.45 H new ATOM 0 HD11 LEU A 62 -5.685 -2.241 8.155 1.00 63.03 H new ATOM 0 HD12 LEU A 62 -6.040 -3.903 7.628 1.00 63.03 H new ATOM 0 HD13 LEU A 62 -4.981 -3.621 9.030 1.00 63.03 H new ATOM 0 HD21 LEU A 62 -3.442 -1.239 7.751 1.00 73.42 H new ATOM 0 HD22 LEU A 62 -2.689 -2.567 8.665 1.00 73.42 H new ATOM 0 HD23 LEU A 62 -2.150 -2.209 7.007 1.00 73.42 H new ATOM 1000 N LEU A 63 -1.979 -7.171 5.658 1.00 32.04 N ATOM 1001 CA LEU A 63 -1.273 -8.423 5.853 1.00 32.31 C ATOM 1002 C LEU A 63 0.137 -8.365 5.260 1.00 3.22 C ATOM 1003 O LEU A 63 0.946 -9.237 5.573 1.00 64.44 O ATOM 1004 CB LEU A 63 -2.108 -9.574 5.258 1.00 40.21 C ATOM 1005 CG LEU A 63 -3.291 -9.979 6.159 1.00 22.13 C ATOM 1006 CD1 LEU A 63 -4.317 -10.777 5.351 1.00 73.44 C ATOM 1007 CD2 LEU A 63 -2.828 -10.804 7.364 1.00 30.34 C ATOM 0 H LEU A 63 -2.784 -7.237 5.035 1.00 32.04 H new ATOM 0 HA LEU A 63 -1.147 -8.604 6.920 1.00 32.31 H new ATOM 0 HB2 LEU A 63 -2.487 -9.275 4.281 1.00 40.21 H new ATOM 0 HB3 LEU A 63 -1.465 -10.440 5.099 1.00 40.21 H new ATOM 0 HG LEU A 63 -3.750 -9.064 6.533 1.00 22.13 H new ATOM 0 HD11 LEU A 63 -5.149 -11.059 5.996 1.00 73.44 H new ATOM 0 HD12 LEU A 63 -4.687 -10.166 4.528 1.00 73.44 H new ATOM 0 HD13 LEU A 63 -3.847 -11.676 4.952 1.00 73.44 H new ATOM 0 HD21 LEU A 63 -3.690 -11.071 7.975 1.00 30.34 H new ATOM 0 HD22 LEU A 63 -2.335 -11.712 7.016 1.00 30.34 H new ATOM 0 HD23 LEU A 63 -2.128 -10.217 7.959 1.00 30.34 H new ATOM 1019 N GLN A 64 0.457 -7.351 4.446 1.00 23.41 N ATOM 1020 CA GLN A 64 1.775 -7.204 3.844 1.00 1.44 C ATOM 1021 C GLN A 64 2.733 -6.460 4.777 1.00 14.34 C ATOM 1022 O GLN A 64 3.813 -6.114 4.330 1.00 30.42 O ATOM 1023 CB GLN A 64 1.720 -6.485 2.482 1.00 70.54 C ATOM 1024 CG GLN A 64 0.713 -7.051 1.473 1.00 61.43 C ATOM 1025 CD GLN A 64 0.782 -8.574 1.382 1.00 33.33 C ATOM 1026 OE1 GLN A 64 1.789 -9.145 0.979 1.00 75.21 O ATOM 1027 NE2 GLN A 64 -0.271 -9.268 1.791 1.00 61.15 N ATOM 0 H GLN A 64 -0.197 -6.611 4.190 1.00 23.41 H new ATOM 0 HA GLN A 64 2.148 -8.215 3.679 1.00 1.44 H new ATOM 0 HB2 GLN A 64 1.483 -5.435 2.655 1.00 70.54 H new ATOM 0 HB3 GLN A 64 2.713 -6.518 2.034 1.00 70.54 H new ATOM 0 HG2 GLN A 64 -0.295 -6.751 1.761 1.00 61.43 H new ATOM 0 HG3 GLN A 64 0.905 -6.621 0.490 1.00 61.43 H new ATOM 0 HE21 GLN A 64 -1.104 -8.782 2.124 1.00 61.15 H new ATOM 0 HE22 GLN A 64 -0.248 -10.288 1.772 1.00 61.15 H new ATOM 1036 N HIS A 65 2.379 -6.148 6.024 1.00 70.42 N ATOM 1037 CA HIS A 65 3.199 -5.469 7.004 1.00 61.40 C ATOM 1038 C HIS A 65 4.272 -6.430 7.499 1.00 0.01 C ATOM 1039 O HIS A 65 3.952 -7.489 8.046 1.00 54.34 O ATOM 1040 CB HIS A 65 2.304 -5.061 8.174 1.00 2.44 C ATOM 1041 CG HIS A 65 3.064 -4.389 9.284 1.00 2.20 C ATOM 1042 ND1 HIS A 65 3.779 -3.197 9.179 1.00 53.40 N ATOM 1043 CD2 HIS A 65 3.211 -4.892 10.540 1.00 65.31 C ATOM 1044 CE1 HIS A 65 4.317 -2.994 10.393 1.00 51.44 C ATOM 1045 NE2 HIS A 65 4.002 -4.002 11.222 1.00 12.02 N ATOM 0 H HIS A 65 1.456 -6.380 6.390 1.00 70.42 H new ATOM 0 HA HIS A 65 3.672 -4.589 6.568 1.00 61.40 H new ATOM 0 HB2 HIS A 65 1.527 -4.388 7.813 1.00 2.44 H new ATOM 0 HB3 HIS A 65 1.802 -5.945 8.567 1.00 2.44 H new ATOM 0 HD2 HIS A 65 2.789 -5.809 10.924 1.00 65.31 H new ATOM 0 HE1 HIS A 65 4.919 -2.139 10.664 1.00 51.44 H new ATOM 0 HE2 HIS A 65 4.300 -4.091 12.193 1.00 12.02 H new ATOM 1053 N GLY A 66 5.534 -6.054 7.334 1.00 34.11 N ATOM 1054 CA GLY A 66 6.680 -6.849 7.765 1.00 23.10 C ATOM 1055 C GLY A 66 7.321 -7.684 6.657 1.00 73.33 C ATOM 1056 O GLY A 66 8.206 -8.487 6.955 1.00 5.02 O ATOM 0 H GLY A 66 5.796 -5.174 6.890 1.00 34.11 H new ATOM 0 HA2 GLY A 66 7.434 -6.181 8.182 1.00 23.10 H new ATOM 0 HA3 GLY A 66 6.364 -7.515 8.568 1.00 23.10 H new ATOM 1060 N THR A 67 6.856 -7.585 5.413 1.00 55.14 N ATOM 1061 CA THR A 67 7.414 -8.312 4.284 1.00 11.51 C ATOM 1062 C THR A 67 8.809 -7.751 3.987 1.00 11.13 C ATOM 1063 O THR A 67 9.105 -6.580 4.263 1.00 35.42 O ATOM 1064 CB THR A 67 6.484 -8.197 3.059 1.00 4.12 C ATOM 1065 OG1 THR A 67 6.274 -6.847 2.685 1.00 44.13 O ATOM 1066 CG2 THR A 67 5.113 -8.839 3.300 1.00 30.01 C ATOM 0 H THR A 67 6.069 -6.987 5.162 1.00 55.14 H new ATOM 0 HA THR A 67 7.500 -9.372 4.523 1.00 11.51 H new ATOM 0 HB THR A 67 6.996 -8.732 2.259 1.00 4.12 H new ATOM 0 HG1 THR A 67 5.501 -6.490 3.170 1.00 44.13 H new ATOM 0 HG21 THR A 67 4.498 -8.730 2.407 1.00 30.01 H new ATOM 0 HG22 THR A 67 5.242 -9.898 3.525 1.00 30.01 H new ATOM 0 HG23 THR A 67 4.623 -8.346 4.140 1.00 30.01 H new ATOM 1074 N LEU A 68 9.680 -8.596 3.437 1.00 43.13 N ATOM 1075 CA LEU A 68 11.040 -8.229 3.081 1.00 72.23 C ATOM 1076 C LEU A 68 11.030 -7.902 1.600 1.00 13.12 C ATOM 1077 O LEU A 68 10.806 -8.784 0.773 1.00 35.02 O ATOM 1078 CB LEU A 68 12.031 -9.361 3.387 1.00 71.24 C ATOM 1079 CG LEU A 68 12.096 -9.804 4.858 1.00 51.34 C ATOM 1080 CD1 LEU A 68 13.394 -10.561 5.137 1.00 42.21 C ATOM 1081 CD2 LEU A 68 12.046 -8.635 5.835 1.00 61.33 C ATOM 0 H LEU A 68 9.452 -9.567 3.225 1.00 43.13 H new ATOM 0 HA LEU A 68 11.369 -7.372 3.670 1.00 72.23 H new ATOM 0 HB2 LEU A 68 11.768 -10.225 2.777 1.00 71.24 H new ATOM 0 HB3 LEU A 68 13.026 -9.043 3.077 1.00 71.24 H new ATOM 0 HG LEU A 68 11.221 -10.436 5.008 1.00 51.34 H new ATOM 0 HD11 LEU A 68 13.420 -10.865 6.183 1.00 42.21 H new ATOM 0 HD12 LEU A 68 13.444 -11.445 4.501 1.00 42.21 H new ATOM 0 HD13 LEU A 68 14.245 -9.914 4.926 1.00 42.21 H new ATOM 0 HD21 LEU A 68 12.096 -9.012 6.856 1.00 61.33 H new ATOM 0 HD22 LEU A 68 12.891 -7.971 5.652 1.00 61.33 H new ATOM 0 HD23 LEU A 68 11.116 -8.084 5.696 1.00 61.33 H new ATOM 1093 N LEU A 69 11.215 -6.631 1.273 1.00 11.33 N ATOM 1094 CA LEU A 69 11.247 -6.106 -0.080 1.00 21.35 C ATOM 1095 C LEU A 69 12.664 -5.625 -0.303 1.00 75.11 C ATOM 1096 O LEU A 69 13.104 -4.727 0.405 1.00 25.23 O ATOM 1097 CB LEU A 69 10.223 -4.966 -0.215 1.00 32.13 C ATOM 1098 CG LEU A 69 8.957 -5.463 -0.924 1.00 43.21 C ATOM 1099 CD1 LEU A 69 7.786 -4.523 -0.653 1.00 51.53 C ATOM 1100 CD2 LEU A 69 9.195 -5.529 -2.431 1.00 23.00 C ATOM 0 H LEU A 69 11.353 -5.907 1.978 1.00 11.33 H new ATOM 0 HA LEU A 69 10.980 -6.854 -0.827 1.00 21.35 H new ATOM 0 HB2 LEU A 69 9.967 -4.581 0.772 1.00 32.13 H new ATOM 0 HB3 LEU A 69 10.661 -4.140 -0.776 1.00 32.13 H new ATOM 0 HG LEU A 69 8.720 -6.455 -0.540 1.00 43.21 H new ATOM 0 HD11 LEU A 69 6.897 -4.892 -1.164 1.00 51.53 H new ATOM 0 HD12 LEU A 69 7.596 -4.479 0.419 1.00 51.53 H new ATOM 0 HD13 LEU A 69 8.028 -3.526 -1.020 1.00 51.53 H new ATOM 0 HD21 LEU A 69 8.291 -5.883 -2.927 1.00 23.00 H new ATOM 0 HD22 LEU A 69 9.448 -4.536 -2.803 1.00 23.00 H new ATOM 0 HD23 LEU A 69 10.016 -6.215 -2.640 1.00 23.00 H new ATOM 1112 N LYS A 70 13.363 -6.198 -1.283 1.00 4.03 N ATOM 1113 CA LYS A 70 14.750 -5.891 -1.633 1.00 40.44 C ATOM 1114 C LYS A 70 15.600 -5.807 -0.361 1.00 62.52 C ATOM 1115 O LYS A 70 16.161 -4.760 -0.042 1.00 64.22 O ATOM 1116 CB LYS A 70 14.854 -4.633 -2.488 1.00 51.22 C ATOM 1117 CG LYS A 70 14.053 -4.705 -3.773 1.00 50.22 C ATOM 1118 CD LYS A 70 14.242 -3.405 -4.547 1.00 51.13 C ATOM 1119 CE LYS A 70 13.096 -3.333 -5.538 1.00 54.13 C ATOM 1120 NZ LYS A 70 13.353 -4.114 -6.763 1.00 72.53 N ATOM 0 H LYS A 70 12.961 -6.920 -1.880 1.00 4.03 H new ATOM 0 HA LYS A 70 15.143 -6.701 -2.248 1.00 40.44 H new ATOM 0 HB2 LYS A 70 14.513 -3.778 -1.904 1.00 51.22 H new ATOM 0 HB3 LYS A 70 15.901 -4.455 -2.732 1.00 51.22 H new ATOM 0 HG2 LYS A 70 14.381 -5.553 -4.374 1.00 50.22 H new ATOM 0 HG3 LYS A 70 12.997 -4.861 -3.551 1.00 50.22 H new ATOM 0 HD2 LYS A 70 14.230 -2.547 -3.875 1.00 51.13 H new ATOM 0 HD3 LYS A 70 15.203 -3.394 -5.061 1.00 51.13 H new ATOM 0 HE2 LYS A 70 12.186 -3.700 -5.062 1.00 54.13 H new ATOM 0 HE3 LYS A 70 12.918 -2.292 -5.806 1.00 54.13 H new ATOM 0 HZ1 LYS A 70 12.654 -3.860 -7.490 1.00 72.53 H new ATOM 0 HZ2 LYS A 70 14.309 -3.904 -7.114 1.00 72.53 H new ATOM 0 HZ3 LYS A 70 13.277 -5.129 -6.550 1.00 72.53 H new ATOM 1134 N GLU A 71 15.617 -6.901 0.401 1.00 20.33 N ATOM 1135 CA GLU A 71 16.340 -7.066 1.663 1.00 52.02 C ATOM 1136 C GLU A 71 15.955 -6.067 2.770 1.00 3.35 C ATOM 1137 O GLU A 71 16.646 -5.992 3.791 1.00 11.42 O ATOM 1138 CB GLU A 71 17.849 -7.083 1.369 1.00 23.23 C ATOM 1139 CG GLU A 71 18.213 -8.304 0.520 1.00 62.13 C ATOM 1140 CD GLU A 71 18.087 -9.611 1.300 1.00 4.54 C ATOM 1141 OE1 GLU A 71 18.581 -9.695 2.447 1.00 54.03 O ATOM 1142 OE2 GLU A 71 17.459 -10.553 0.771 1.00 70.41 O ATOM 0 H GLU A 71 15.099 -7.741 0.141 1.00 20.33 H new ATOM 0 HA GLU A 71 16.037 -8.022 2.089 1.00 52.02 H new ATOM 0 HB2 GLU A 71 18.134 -6.170 0.846 1.00 23.23 H new ATOM 0 HB3 GLU A 71 18.408 -7.103 2.304 1.00 23.23 H new ATOM 0 HG2 GLU A 71 17.564 -8.342 -0.355 1.00 62.13 H new ATOM 0 HG3 GLU A 71 19.235 -8.198 0.155 1.00 62.13 H new ATOM 1149 N LYS A 72 14.842 -5.338 2.650 1.00 22.50 N ATOM 1150 CA LYS A 72 14.385 -4.355 3.630 1.00 23.03 C ATOM 1151 C LYS A 72 13.004 -4.717 4.143 1.00 22.00 C ATOM 1152 O LYS A 72 12.074 -4.889 3.362 1.00 32.24 O ATOM 1153 CB LYS A 72 14.357 -2.965 2.976 1.00 34.11 C ATOM 1154 CG LYS A 72 15.757 -2.343 2.880 1.00 13.40 C ATOM 1155 CD LYS A 72 16.125 -1.544 4.129 1.00 44.44 C ATOM 1156 CE LYS A 72 15.267 -0.281 4.243 1.00 24.34 C ATOM 1157 NZ LYS A 72 15.803 0.641 5.256 1.00 20.13 N ATOM 0 H LYS A 72 14.219 -5.419 1.846 1.00 22.50 H new ATOM 0 HA LYS A 72 15.072 -4.348 4.476 1.00 23.03 H new ATOM 0 HB2 LYS A 72 13.926 -3.043 1.978 1.00 34.11 H new ATOM 0 HB3 LYS A 72 13.707 -2.307 3.553 1.00 34.11 H new ATOM 0 HG2 LYS A 72 16.493 -3.132 2.727 1.00 13.40 H new ATOM 0 HG3 LYS A 72 15.803 -1.691 2.008 1.00 13.40 H new ATOM 0 HD2 LYS A 72 15.987 -2.163 5.015 1.00 44.44 H new ATOM 0 HD3 LYS A 72 17.179 -1.270 4.093 1.00 44.44 H new ATOM 0 HE2 LYS A 72 15.226 0.221 3.277 1.00 24.34 H new ATOM 0 HE3 LYS A 72 14.245 -0.556 4.503 1.00 24.34 H new ATOM 0 HZ1 LYS A 72 15.200 1.487 5.309 1.00 20.13 H new ATOM 0 HZ2 LYS A 72 15.819 0.168 6.182 1.00 20.13 H new ATOM 0 HZ3 LYS A 72 16.770 0.921 4.994 1.00 20.13 H new ATOM 1171 N LYS A 73 12.877 -4.895 5.456 1.00 55.54 N ATOM 1172 CA LYS A 73 11.610 -5.206 6.097 1.00 2.30 C ATOM 1173 C LYS A 73 10.844 -3.895 6.087 1.00 0.34 C ATOM 1174 O LYS A 73 11.361 -2.909 6.618 1.00 0.25 O ATOM 1175 CB LYS A 73 11.882 -5.699 7.521 1.00 74.31 C ATOM 1176 CG LYS A 73 10.622 -6.229 8.220 1.00 51.41 C ATOM 1177 CD LYS A 73 10.819 -7.627 8.831 1.00 21.32 C ATOM 1178 CE LYS A 73 10.085 -7.765 10.166 1.00 34.35 C ATOM 1179 NZ LYS A 73 10.788 -7.011 11.224 1.00 25.10 N ATOM 0 H LYS A 73 13.659 -4.826 6.107 1.00 55.54 H new ATOM 0 HA LYS A 73 11.044 -5.991 5.596 1.00 2.30 H new ATOM 0 HB2 LYS A 73 12.633 -6.488 7.490 1.00 74.31 H new ATOM 0 HB3 LYS A 73 12.302 -4.883 8.109 1.00 74.31 H new ATOM 0 HG2 LYS A 73 10.329 -5.533 9.006 1.00 51.41 H new ATOM 0 HG3 LYS A 73 9.802 -6.264 7.503 1.00 51.41 H new ATOM 0 HD2 LYS A 73 10.456 -8.384 8.135 1.00 21.32 H new ATOM 0 HD3 LYS A 73 11.883 -7.814 8.979 1.00 21.32 H new ATOM 0 HE2 LYS A 73 9.064 -7.397 10.066 1.00 34.35 H new ATOM 0 HE3 LYS A 73 10.018 -8.817 10.444 1.00 34.35 H new ATOM 0 HZ1 LYS A 73 10.450 -7.324 12.156 1.00 25.10 H new ATOM 0 HZ2 LYS A 73 11.811 -7.183 11.151 1.00 25.10 H new ATOM 0 HZ3 LYS A 73 10.599 -5.995 11.110 1.00 25.10 H new ATOM 1193 N ILE A 74 9.644 -3.849 5.523 1.00 51.21 N ATOM 1194 CA ILE A 74 8.867 -2.616 5.453 1.00 52.13 C ATOM 1195 C ILE A 74 7.653 -2.622 6.389 1.00 65.34 C ATOM 1196 O ILE A 74 7.355 -3.629 7.037 1.00 21.12 O ATOM 1197 CB ILE A 74 8.556 -2.255 3.985 1.00 12.52 C ATOM 1198 CG1 ILE A 74 7.425 -3.030 3.317 1.00 4.31 C ATOM 1199 CG2 ILE A 74 9.817 -2.310 3.104 1.00 63.55 C ATOM 1200 CD1 ILE A 74 6.909 -2.458 1.999 1.00 62.14 C ATOM 0 H ILE A 74 9.184 -4.657 5.104 1.00 51.21 H new ATOM 0 HA ILE A 74 9.478 -1.801 5.841 1.00 52.13 H new ATOM 0 HB ILE A 74 8.189 -1.232 4.063 1.00 12.52 H new ATOM 0 HG12 ILE A 74 7.766 -4.050 3.139 1.00 4.31 H new ATOM 0 HG13 ILE A 74 6.590 -3.090 4.016 1.00 4.31 H new ATOM 0 HG21 ILE A 74 9.556 -2.050 2.078 1.00 63.55 H new ATOM 0 HG22 ILE A 74 10.556 -1.603 3.481 1.00 63.55 H new ATOM 0 HG23 ILE A 74 10.234 -3.317 3.128 1.00 63.55 H new ATOM 0 HD11 ILE A 74 6.108 -3.090 1.617 1.00 62.14 H new ATOM 0 HD12 ILE A 74 6.528 -1.450 2.164 1.00 62.14 H new ATOM 0 HD13 ILE A 74 7.722 -2.425 1.274 1.00 62.14 H new ATOM 1212 N ASN A 75 7.015 -1.458 6.539 1.00 43.24 N ATOM 1213 CA ASN A 75 5.822 -1.263 7.361 1.00 42.43 C ATOM 1214 C ASN A 75 4.643 -0.949 6.452 1.00 55.54 C ATOM 1215 O ASN A 75 4.822 -0.279 5.433 1.00 12.11 O ATOM 1216 CB ASN A 75 5.994 -0.136 8.402 1.00 22.24 C ATOM 1217 CG ASN A 75 6.285 1.256 7.851 1.00 12.22 C ATOM 1218 OD1 ASN A 75 7.421 1.722 7.868 1.00 45.23 O ATOM 1219 ND2 ASN A 75 5.282 1.970 7.363 1.00 21.53 N ATOM 0 H ASN A 75 7.325 -0.602 6.078 1.00 43.24 H new ATOM 0 HA ASN A 75 5.647 -2.184 7.918 1.00 42.43 H new ATOM 0 HB2 ASN A 75 5.085 -0.083 9.002 1.00 22.24 H new ATOM 0 HB3 ASN A 75 6.805 -0.414 9.075 1.00 22.24 H new ATOM 0 HD21 ASN A 75 5.453 2.908 7.001 1.00 21.53 H new ATOM 0 HD22 ASN A 75 4.339 1.582 7.349 1.00 21.53 H new ATOM 1226 N VAL A 76 3.445 -1.402 6.830 1.00 13.12 N ATOM 1227 CA VAL A 76 2.195 -1.197 6.114 1.00 0.23 C ATOM 1228 C VAL A 76 1.107 -1.014 7.181 1.00 14.41 C ATOM 1229 O VAL A 76 0.743 -1.962 7.872 1.00 23.22 O ATOM 1230 CB VAL A 76 1.900 -2.380 5.163 1.00 14.31 C ATOM 1231 CG1 VAL A 76 0.635 -2.077 4.352 1.00 45.35 C ATOM 1232 CG2 VAL A 76 3.059 -2.697 4.199 1.00 4.52 C ATOM 0 H VAL A 76 3.320 -1.946 7.684 1.00 13.12 H new ATOM 0 HA VAL A 76 2.240 -0.316 5.473 1.00 0.23 H new ATOM 0 HB VAL A 76 1.763 -3.260 5.791 1.00 14.31 H new ATOM 0 HG11 VAL A 76 0.425 -2.910 3.681 1.00 45.35 H new ATOM 0 HG12 VAL A 76 -0.207 -1.936 5.030 1.00 45.35 H new ATOM 0 HG13 VAL A 76 0.786 -1.169 3.768 1.00 45.35 H new ATOM 0 HG21 VAL A 76 2.783 -3.537 3.562 1.00 4.52 H new ATOM 0 HG22 VAL A 76 3.266 -1.824 3.579 1.00 4.52 H new ATOM 0 HG23 VAL A 76 3.949 -2.954 4.773 1.00 4.52 H new ATOM 1242 N GLU A 77 0.597 0.205 7.335 1.00 31.12 N ATOM 1243 CA GLU A 77 -0.438 0.575 8.298 1.00 60.52 C ATOM 1244 C GLU A 77 -1.510 1.410 7.588 1.00 23.34 C ATOM 1245 O GLU A 77 -1.340 1.778 6.431 1.00 42.41 O ATOM 1246 CB GLU A 77 0.170 1.246 9.548 1.00 64.41 C ATOM 1247 CG GLU A 77 1.400 2.149 9.339 1.00 10.32 C ATOM 1248 CD GLU A 77 2.097 2.473 10.661 1.00 61.12 C ATOM 1249 OE1 GLU A 77 1.483 3.117 11.542 1.00 44.40 O ATOM 1250 OE2 GLU A 77 3.271 2.069 10.845 1.00 23.23 O ATOM 0 H GLU A 77 0.906 0.995 6.769 1.00 31.12 H new ATOM 0 HA GLU A 77 -0.933 -0.317 8.682 1.00 60.52 H new ATOM 0 HB2 GLU A 77 -0.609 1.842 10.023 1.00 64.41 H new ATOM 0 HB3 GLU A 77 0.444 0.461 10.252 1.00 64.41 H new ATOM 0 HG2 GLU A 77 2.104 1.656 8.668 1.00 10.32 H new ATOM 0 HG3 GLU A 77 1.093 3.075 8.853 1.00 10.32 H new ATOM 1257 N LEU A 78 -2.633 1.713 8.240 1.00 54.23 N ATOM 1258 CA LEU A 78 -3.735 2.473 7.673 1.00 43.32 C ATOM 1259 C LEU A 78 -3.746 3.938 8.084 1.00 61.32 C ATOM 1260 O LEU A 78 -3.270 4.285 9.164 1.00 1.22 O ATOM 1261 CB LEU A 78 -5.022 1.825 8.196 1.00 11.41 C ATOM 1262 CG LEU A 78 -6.040 1.467 7.124 1.00 13.41 C ATOM 1263 CD1 LEU A 78 -6.611 2.682 6.383 1.00 3.02 C ATOM 1264 CD2 LEU A 78 -5.507 0.432 6.133 1.00 60.24 C ATOM 0 H LEU A 78 -2.801 1.426 9.204 1.00 54.23 H new ATOM 0 HA LEU A 78 -3.639 2.454 6.587 1.00 43.32 H new ATOM 0 HB2 LEU A 78 -4.759 0.920 8.744 1.00 11.41 H new ATOM 0 HB3 LEU A 78 -5.490 2.504 8.909 1.00 11.41 H new ATOM 0 HG LEU A 78 -6.868 1.017 7.671 1.00 13.41 H new ATOM 0 HD11 LEU A 78 -7.329 2.347 5.635 1.00 3.02 H new ATOM 0 HD12 LEU A 78 -7.109 3.341 7.094 1.00 3.02 H new ATOM 0 HD13 LEU A 78 -5.801 3.223 5.893 1.00 3.02 H new ATOM 0 HD21 LEU A 78 -6.273 0.212 5.389 1.00 60.24 H new ATOM 0 HD22 LEU A 78 -4.621 0.827 5.636 1.00 60.24 H new ATOM 0 HD23 LEU A 78 -5.246 -0.482 6.667 1.00 60.24 H new ATOM 1276 N THR A 79 -4.315 4.784 7.228 1.00 4.23 N ATOM 1277 CA THR A 79 -4.472 6.206 7.458 1.00 75.32 C ATOM 1278 C THR A 79 -5.838 6.652 6.908 1.00 73.23 C ATOM 1279 O THR A 79 -6.395 6.057 5.979 1.00 25.32 O ATOM 1280 CB THR A 79 -3.298 7.035 6.903 1.00 64.40 C ATOM 1281 OG1 THR A 79 -2.887 6.681 5.595 1.00 51.45 O ATOM 1282 CG2 THR A 79 -2.057 6.978 7.796 1.00 23.15 C ATOM 0 H THR A 79 -4.689 4.482 6.328 1.00 4.23 H new ATOM 0 HA THR A 79 -4.451 6.394 8.531 1.00 75.32 H new ATOM 0 HB THR A 79 -3.712 8.043 6.878 1.00 64.40 H new ATOM 0 HG1 THR A 79 -3.540 6.065 5.202 1.00 51.45 H new ATOM 0 HG21 THR A 79 -1.263 7.580 7.354 1.00 23.15 H new ATOM 0 HG22 THR A 79 -2.302 7.368 8.784 1.00 23.15 H new ATOM 0 HG23 THR A 79 -1.721 5.945 7.887 1.00 23.15 H new