USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 834 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 20 GLN : amide:sc= -1.18 K(o=-1.7,f=-4.7!) USER MOD Set 1.2: A 24 MET CE :methyl -132:sc= -0.529 (180deg=-1.82!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= -0.0735 (180deg=-0.0735) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0.37) USER MOD Single : A 7 LYS NZ :NH3+ -174:sc= -0.554 (180deg=-0.742) USER MOD Single : A 10 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00661) USER MOD Single : A 12 TYR OH : rot -113:sc= -0.142 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 171:sc=-0.00154 (180deg=-0.0904) USER MOD Single : A 19 ASN : amide:sc= -0.164 K(o=-0.16,f=-1.2) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0584 USER MOD Single : A 30 ASN : amide:sc= -0.753 K(o=-0.75,f=-0.051) USER MOD Single : A 35 LYS NZ :NH3+ -156:sc= 0.264 (180deg=-0.368) USER MOD Single : A 36 ASN : amide:sc= -0.259 K(o=-0.26,f=-3.9!) USER MOD Single : A 37 LYS NZ :NH3+ -148:sc= 0.396 (180deg=-0.454) USER MOD Single : A 38 MET CE :methyl -166:sc= -0.172 (180deg=-0.494) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -173:sc= 0.688 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HE2:sc= 0.114 K(o=0.11,f=-0.71) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -176:sc= 0.777 (180deg=0.725) USER MOD Single : A 70 SER OG : rot -111:sc= 1.34 USER MOD Single : A 72 LYS NZ :NH3+ -172:sc=-0.00364 (180deg=-0.0788) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -138:sc= -2.32 (180deg=-4.88!) USER MOD Single : A 92 LYS NZ :NH3+ -164:sc= -0.0475 (180deg=-0.328) USER MOD Single : A 93 LYS NZ :NH3+ 173:sc=-0.00274 (180deg=-0.061) USER MOD Single : A 99 GLN : amide:sc= -0.0807 X(o=-0.081,f=-0.081) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 103 ASN : amide:sc= 0.443 X(o=0.44,f=0) USER MOD Single : A 104 ASN : amide:sc= -1.48 K(o=-1.5,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.017 -16.005 3.660 1.00 3.10 N ATOM 2 CA ALA A 1 -14.253 -14.889 4.612 1.00 2.45 C ATOM 3 C ALA A 1 -13.877 -13.513 4.015 1.00 32.41 C ATOM 4 O ALA A 1 -13.906 -12.498 4.724 1.00 21.33 O ATOM 5 CB ALA A 1 -13.485 -15.155 5.920 1.00 52.22 C ATOM 0 H1 ALA A 1 -14.284 -16.905 4.107 1.00 3.10 H new ATOM 0 H2 ALA A 1 -14.591 -15.859 2.805 1.00 3.10 H new ATOM 0 H3 ALA A 1 -13.010 -16.033 3.400 1.00 3.10 H new ATOM 0 HA ALA A 1 -15.322 -14.849 4.823 1.00 2.45 H new ATOM 0 HB1 ALA A 1 -13.659 -14.335 6.617 1.00 52.22 H new ATOM 0 HB2 ALA A 1 -13.833 -16.088 6.363 1.00 52.22 H new ATOM 0 HB3 ALA A 1 -12.419 -15.230 5.707 1.00 52.22 H new ATOM 13 N ASP A 2 -13.560 -13.464 2.698 1.00 42.35 N ATOM 14 CA ASP A 2 -13.059 -12.230 2.035 1.00 70.41 C ATOM 15 C ASP A 2 -14.206 -11.276 1.630 1.00 1.44 C ATOM 16 O ASP A 2 -13.957 -10.254 0.987 1.00 71.23 O ATOM 17 CB ASP A 2 -12.178 -12.584 0.803 1.00 10.45 C ATOM 18 CG ASP A 2 -12.976 -12.983 -0.459 1.00 51.34 C ATOM 19 OD1 ASP A 2 -13.430 -14.139 -0.556 1.00 51.32 O ATOM 20 OD2 ASP A 2 -13.126 -12.141 -1.378 1.00 51.25 O ATOM 0 H ASP A 2 -13.642 -14.265 2.071 1.00 42.35 H new ATOM 0 HA ASP A 2 -12.445 -11.702 2.765 1.00 70.41 H new ATOM 0 HB2 ASP A 2 -11.548 -11.727 0.564 1.00 10.45 H new ATOM 0 HB3 ASP A 2 -11.512 -13.404 1.071 1.00 10.45 H new ATOM 25 N GLU A 3 -15.450 -11.625 2.022 1.00 60.14 N ATOM 26 CA GLU A 3 -16.650 -10.768 1.854 1.00 43.04 C ATOM 27 C GLU A 3 -16.417 -9.385 2.518 1.00 63.04 C ATOM 28 O GLU A 3 -16.857 -8.359 2.002 1.00 1.23 O ATOM 29 CB GLU A 3 -17.888 -11.503 2.472 1.00 64.43 C ATOM 30 CG GLU A 3 -19.297 -11.003 2.035 1.00 31.43 C ATOM 31 CD GLU A 3 -19.717 -9.614 2.569 1.00 41.13 C ATOM 32 OE1 GLU A 3 -19.852 -9.464 3.800 1.00 24.05 O ATOM 33 OE2 GLU A 3 -19.907 -8.671 1.765 1.00 73.21 O ATOM 0 H GLU A 3 -15.655 -12.519 2.469 1.00 60.14 H new ATOM 0 HA GLU A 3 -16.841 -10.592 0.795 1.00 43.04 H new ATOM 0 HB2 GLU A 3 -17.812 -12.562 2.224 1.00 64.43 H new ATOM 0 HB3 GLU A 3 -17.822 -11.424 3.557 1.00 64.43 H new ATOM 0 HG2 GLU A 3 -19.330 -10.977 0.946 1.00 31.43 H new ATOM 0 HG3 GLU A 3 -20.037 -11.734 2.359 1.00 31.43 H new ATOM 40 N ASN A 4 -15.685 -9.393 3.646 1.00 11.43 N ATOM 41 CA ASN A 4 -15.311 -8.173 4.394 1.00 0.14 C ATOM 42 C ASN A 4 -14.390 -7.255 3.562 1.00 33.13 C ATOM 43 O ASN A 4 -14.560 -6.036 3.553 1.00 1.31 O ATOM 44 CB ASN A 4 -14.621 -8.559 5.727 1.00 23.02 C ATOM 45 CG ASN A 4 -15.518 -9.423 6.618 1.00 72.05 C ATOM 46 OD1 ASN A 4 -15.535 -10.654 6.503 1.00 73.44 O ATOM 47 ND2 ASN A 4 -16.281 -8.795 7.501 1.00 41.31 N ATOM 0 H ASN A 4 -15.332 -10.251 4.070 1.00 11.43 H new ATOM 0 HA ASN A 4 -16.225 -7.618 4.608 1.00 0.14 H new ATOM 0 HB2 ASN A 4 -13.698 -9.098 5.513 1.00 23.02 H new ATOM 0 HB3 ASN A 4 -14.343 -7.653 6.265 1.00 23.02 H new ATOM 0 HD21 ASN A 4 -16.903 -9.328 8.108 1.00 41.31 H new ATOM 0 HD22 ASN A 4 -16.246 -7.778 7.574 1.00 41.31 H new ATOM 54 N ILE A 5 -13.428 -7.877 2.858 1.00 24.04 N ATOM 55 CA ILE A 5 -12.481 -7.185 1.961 1.00 74.52 C ATOM 56 C ILE A 5 -13.239 -6.582 0.765 1.00 62.03 C ATOM 57 O ILE A 5 -13.088 -5.400 0.438 1.00 4.52 O ATOM 58 CB ILE A 5 -11.377 -8.185 1.446 1.00 35.32 C ATOM 59 CG1 ILE A 5 -10.636 -8.842 2.649 1.00 23.03 C ATOM 60 CG2 ILE A 5 -10.384 -7.498 0.486 1.00 14.21 C ATOM 61 CD1 ILE A 5 -9.587 -9.872 2.267 1.00 3.14 C ATOM 0 H ILE A 5 -13.283 -8.886 2.895 1.00 24.04 H new ATOM 0 HA ILE A 5 -11.994 -6.385 2.519 1.00 74.52 H new ATOM 0 HB ILE A 5 -11.876 -8.970 0.878 1.00 35.32 H new ATOM 0 HG12 ILE A 5 -10.158 -8.057 3.235 1.00 23.03 H new ATOM 0 HG13 ILE A 5 -11.373 -9.318 3.295 1.00 23.03 H new ATOM 0 HG21 ILE A 5 -9.639 -8.221 0.154 1.00 14.21 H new ATOM 0 HG22 ILE A 5 -10.923 -7.109 -0.378 1.00 14.21 H new ATOM 0 HG23 ILE A 5 -9.887 -6.677 1.003 1.00 14.21 H new ATOM 0 HD11 ILE A 5 -9.126 -10.274 3.169 1.00 3.14 H new ATOM 0 HD12 ILE A 5 -10.058 -10.681 1.709 1.00 3.14 H new ATOM 0 HD13 ILE A 5 -8.823 -9.401 1.648 1.00 3.14 H new ATOM 73 N ALA A 6 -14.104 -7.421 0.172 1.00 62.01 N ATOM 74 CA ALA A 6 -14.923 -7.072 -0.993 1.00 21.40 C ATOM 75 C ALA A 6 -15.945 -5.966 -0.660 1.00 32.31 C ATOM 76 O ALA A 6 -16.324 -5.193 -1.542 1.00 71.12 O ATOM 77 CB ALA A 6 -15.618 -8.332 -1.517 1.00 5.52 C ATOM 0 H ALA A 6 -14.254 -8.376 0.497 1.00 62.01 H new ATOM 0 HA ALA A 6 -14.273 -6.672 -1.771 1.00 21.40 H new ATOM 0 HB1 ALA A 6 -16.228 -8.077 -2.383 1.00 5.52 H new ATOM 0 HB2 ALA A 6 -14.868 -9.068 -1.805 1.00 5.52 H new ATOM 0 HB3 ALA A 6 -16.253 -8.749 -0.736 1.00 5.52 H new ATOM 83 N LYS A 7 -16.368 -5.909 0.626 1.00 52.12 N ATOM 84 CA LYS A 7 -17.242 -4.842 1.162 1.00 23.54 C ATOM 85 C LYS A 7 -16.545 -3.479 1.031 1.00 71.50 C ATOM 86 O LYS A 7 -17.136 -2.508 0.540 1.00 72.20 O ATOM 87 CB LYS A 7 -17.555 -5.105 2.666 1.00 21.23 C ATOM 88 CG LYS A 7 -18.497 -4.069 3.340 1.00 35.11 C ATOM 89 CD LYS A 7 -19.993 -4.236 2.968 1.00 73.24 C ATOM 90 CE LYS A 7 -20.725 -5.271 3.850 1.00 62.34 C ATOM 91 NZ LYS A 7 -20.117 -6.632 3.817 1.00 40.51 N ATOM 0 H LYS A 7 -16.110 -6.607 1.323 1.00 52.12 H new ATOM 0 HA LYS A 7 -18.171 -4.839 0.592 1.00 23.54 H new ATOM 0 HB2 LYS A 7 -18.004 -6.094 2.759 1.00 21.23 H new ATOM 0 HB3 LYS A 7 -16.615 -5.129 3.217 1.00 21.23 H new ATOM 0 HG2 LYS A 7 -18.392 -4.149 4.422 1.00 35.11 H new ATOM 0 HG3 LYS A 7 -18.174 -3.066 3.061 1.00 35.11 H new ATOM 0 HD2 LYS A 7 -20.493 -3.272 3.058 1.00 73.24 H new ATOM 0 HD3 LYS A 7 -20.070 -4.538 1.924 1.00 73.24 H new ATOM 0 HE2 LYS A 7 -20.735 -4.913 4.880 1.00 62.34 H new ATOM 0 HE3 LYS A 7 -21.763 -5.340 3.526 1.00 62.34 H new ATOM 0 HZ1 LYS A 7 -20.718 -7.294 4.349 1.00 40.51 H new ATOM 0 HZ2 LYS A 7 -20.037 -6.953 2.831 1.00 40.51 H new ATOM 0 HZ3 LYS A 7 -19.171 -6.600 4.248 1.00 40.51 H new ATOM 105 N PHE A 8 -15.272 -3.448 1.470 1.00 11.22 N ATOM 106 CA PHE A 8 -14.443 -2.235 1.454 1.00 14.52 C ATOM 107 C PHE A 8 -14.232 -1.745 0.009 1.00 61.12 C ATOM 108 O PHE A 8 -14.436 -0.578 -0.286 1.00 73.25 O ATOM 109 CB PHE A 8 -13.062 -2.488 2.118 1.00 42.53 C ATOM 110 CG PHE A 8 -13.075 -3.029 3.552 1.00 53.11 C ATOM 111 CD1 PHE A 8 -14.048 -2.637 4.474 1.00 33.23 C ATOM 112 CD2 PHE A 8 -12.075 -3.910 3.987 1.00 51.12 C ATOM 113 CE1 PHE A 8 -14.029 -3.120 5.769 1.00 14.31 C ATOM 114 CE2 PHE A 8 -12.062 -4.391 5.280 1.00 71.11 C ATOM 115 CZ PHE A 8 -13.034 -3.993 6.172 1.00 33.42 C ATOM 0 H PHE A 8 -14.792 -4.266 1.845 1.00 11.22 H new ATOM 0 HA PHE A 8 -14.970 -1.470 2.024 1.00 14.52 H new ATOM 0 HB2 PHE A 8 -12.509 -3.190 1.495 1.00 42.53 H new ATOM 0 HB3 PHE A 8 -12.506 -1.551 2.113 1.00 42.53 H new ATOM 0 HD1 PHE A 8 -14.824 -1.949 4.172 1.00 33.23 H new ATOM 0 HD2 PHE A 8 -11.302 -4.217 3.298 1.00 51.12 H new ATOM 0 HE1 PHE A 8 -14.793 -2.815 6.469 1.00 14.31 H new ATOM 0 HE2 PHE A 8 -11.291 -5.079 5.593 1.00 71.11 H new ATOM 0 HZ PHE A 8 -13.019 -4.363 7.187 1.00 33.42 H new ATOM 125 N GLU A 9 -13.869 -2.689 -0.883 1.00 31.25 N ATOM 126 CA GLU A 9 -13.615 -2.421 -2.322 1.00 32.12 C ATOM 127 C GLU A 9 -14.874 -1.901 -3.040 1.00 72.32 C ATOM 128 O GLU A 9 -14.785 -1.098 -3.972 1.00 11.22 O ATOM 129 CB GLU A 9 -13.117 -3.715 -3.018 1.00 34.13 C ATOM 130 CG GLU A 9 -11.825 -4.293 -2.423 1.00 22.51 C ATOM 131 CD GLU A 9 -11.396 -5.620 -3.067 1.00 20.54 C ATOM 132 OE1 GLU A 9 -11.836 -6.694 -2.603 1.00 4.51 O ATOM 133 OE2 GLU A 9 -10.628 -5.593 -4.053 1.00 62.33 O ATOM 0 H GLU A 9 -13.742 -3.668 -0.627 1.00 31.25 H new ATOM 0 HA GLU A 9 -12.851 -1.646 -2.383 1.00 32.12 H new ATOM 0 HB2 GLU A 9 -13.901 -4.470 -2.959 1.00 34.13 H new ATOM 0 HB3 GLU A 9 -12.955 -3.506 -4.075 1.00 34.13 H new ATOM 0 HG2 GLU A 9 -11.022 -3.565 -2.540 1.00 22.51 H new ATOM 0 HG3 GLU A 9 -11.963 -4.445 -1.353 1.00 22.51 H new ATOM 140 N LYS A 10 -16.041 -2.382 -2.587 1.00 32.32 N ATOM 141 CA LYS A 10 -17.352 -1.992 -3.134 1.00 32.23 C ATOM 142 C LYS A 10 -17.765 -0.596 -2.620 1.00 30.30 C ATOM 143 O LYS A 10 -18.449 0.153 -3.315 1.00 61.01 O ATOM 144 CB LYS A 10 -18.405 -3.071 -2.758 1.00 20.43 C ATOM 145 CG LYS A 10 -19.747 -2.984 -3.516 1.00 12.22 C ATOM 146 CD LYS A 10 -19.591 -3.138 -5.052 1.00 34.40 C ATOM 147 CE LYS A 10 -20.943 -3.350 -5.765 1.00 50.13 C ATOM 148 NZ LYS A 10 -21.906 -2.248 -5.510 1.00 14.35 N ATOM 0 H LYS A 10 -16.104 -3.058 -1.825 1.00 32.32 H new ATOM 0 HA LYS A 10 -17.289 -1.929 -4.220 1.00 32.23 H new ATOM 0 HB2 LYS A 10 -17.971 -4.055 -2.936 1.00 20.43 H new ATOM 0 HB3 LYS A 10 -18.606 -3.000 -1.689 1.00 20.43 H new ATOM 0 HG2 LYS A 10 -20.417 -3.760 -3.146 1.00 12.22 H new ATOM 0 HG3 LYS A 10 -20.218 -2.025 -3.299 1.00 12.22 H new ATOM 0 HD2 LYS A 10 -19.107 -2.249 -5.456 1.00 34.40 H new ATOM 0 HD3 LYS A 10 -18.935 -3.983 -5.265 1.00 34.40 H new ATOM 0 HE2 LYS A 10 -20.773 -3.437 -6.838 1.00 50.13 H new ATOM 0 HE3 LYS A 10 -21.380 -4.292 -5.434 1.00 50.13 H new ATOM 0 HZ1 LYS A 10 -22.777 -2.416 -6.053 1.00 14.35 H new ATOM 0 HZ2 LYS A 10 -22.131 -2.212 -4.495 1.00 14.35 H new ATOM 0 HZ3 LYS A 10 -21.484 -1.344 -5.803 1.00 14.35 H new ATOM 162 N ALA A 11 -17.321 -0.256 -1.403 1.00 60.44 N ATOM 163 CA ALA A 11 -17.632 1.034 -0.747 1.00 72.13 C ATOM 164 C ALA A 11 -16.514 2.074 -0.968 1.00 15.52 C ATOM 165 O ALA A 11 -16.656 3.233 -0.571 1.00 42.12 O ATOM 166 CB ALA A 11 -17.869 0.803 0.756 1.00 31.12 C ATOM 0 H ALA A 11 -16.732 -0.867 -0.837 1.00 60.44 H new ATOM 0 HA ALA A 11 -18.538 1.437 -1.200 1.00 72.13 H new ATOM 0 HB1 ALA A 11 -18.098 1.753 1.239 1.00 31.12 H new ATOM 0 HB2 ALA A 11 -18.705 0.117 0.891 1.00 31.12 H new ATOM 0 HB3 ALA A 11 -16.972 0.375 1.204 1.00 31.12 H new ATOM 172 N TYR A 12 -15.393 1.650 -1.579 1.00 13.34 N ATOM 173 CA TYR A 12 -14.231 2.517 -1.850 1.00 1.14 C ATOM 174 C TYR A 12 -13.950 2.597 -3.359 1.00 71.04 C ATOM 175 O TYR A 12 -13.715 1.570 -3.995 1.00 20.14 O ATOM 176 CB TYR A 12 -12.963 1.981 -1.109 1.00 22.51 C ATOM 177 CG TYR A 12 -11.659 2.682 -1.515 1.00 72.33 C ATOM 178 CD1 TYR A 12 -11.353 3.952 -1.035 1.00 72.11 C ATOM 179 CD2 TYR A 12 -10.763 2.109 -2.428 1.00 75.31 C ATOM 180 CE1 TYR A 12 -10.214 4.604 -1.433 1.00 10.43 C ATOM 181 CE2 TYR A 12 -9.636 2.779 -2.833 1.00 51.11 C ATOM 182 CZ TYR A 12 -9.362 4.025 -2.326 1.00 50.23 C ATOM 183 OH TYR A 12 -8.225 4.694 -2.722 1.00 53.52 O ATOM 0 H TYR A 12 -15.267 0.690 -1.901 1.00 13.34 H new ATOM 0 HA TYR A 12 -14.465 3.516 -1.482 1.00 1.14 H new ATOM 0 HB2 TYR A 12 -13.106 2.097 -0.035 1.00 22.51 H new ATOM 0 HB3 TYR A 12 -12.865 0.913 -1.304 1.00 22.51 H new ATOM 0 HD1 TYR A 12 -12.024 4.432 -0.338 1.00 72.11 H new ATOM 0 HD2 TYR A 12 -10.963 1.123 -2.820 1.00 75.31 H new ATOM 0 HE1 TYR A 12 -9.990 5.583 -1.036 1.00 10.43 H new ATOM 0 HE2 TYR A 12 -8.966 2.327 -3.549 1.00 51.11 H new ATOM 0 HH TYR A 12 -8.300 4.934 -3.669 1.00 53.52 H new ATOM 193 N LYS A 13 -13.941 3.829 -3.902 1.00 22.03 N ATOM 194 CA LYS A 13 -13.546 4.134 -5.301 1.00 2.14 C ATOM 195 C LYS A 13 -12.821 5.505 -5.351 1.00 52.32 C ATOM 196 O LYS A 13 -12.430 6.049 -4.305 1.00 31.30 O ATOM 197 CB LYS A 13 -14.799 4.159 -6.246 1.00 23.01 C ATOM 198 CG LYS A 13 -15.508 2.807 -6.444 1.00 62.22 C ATOM 199 CD LYS A 13 -14.598 1.723 -7.071 1.00 11.44 C ATOM 200 CE LYS A 13 -15.232 0.325 -7.028 1.00 33.14 C ATOM 201 NZ LYS A 13 -14.305 -0.709 -7.553 1.00 75.54 N ATOM 0 H LYS A 13 -14.212 4.659 -3.376 1.00 22.03 H new ATOM 0 HA LYS A 13 -12.872 3.351 -5.648 1.00 2.14 H new ATOM 0 HB2 LYS A 13 -15.520 4.872 -5.846 1.00 23.01 H new ATOM 0 HB3 LYS A 13 -14.489 4.533 -7.222 1.00 23.01 H new ATOM 0 HG2 LYS A 13 -15.873 2.452 -5.480 1.00 62.22 H new ATOM 0 HG3 LYS A 13 -16.380 2.952 -7.081 1.00 62.22 H new ATOM 0 HD2 LYS A 13 -14.382 1.989 -8.106 1.00 11.44 H new ATOM 0 HD3 LYS A 13 -13.645 1.703 -6.542 1.00 11.44 H new ATOM 0 HE2 LYS A 13 -15.508 0.081 -6.002 1.00 33.14 H new ATOM 0 HE3 LYS A 13 -16.151 0.323 -7.614 1.00 33.14 H new ATOM 0 HZ1 LYS A 13 -14.764 -1.641 -7.510 1.00 75.54 H new ATOM 0 HZ2 LYS A 13 -14.062 -0.488 -8.540 1.00 75.54 H new ATOM 0 HZ3 LYS A 13 -13.439 -0.723 -6.978 1.00 75.54 H new ATOM 215 N LYS A 14 -12.637 6.029 -6.591 1.00 31.34 N ATOM 216 CA LYS A 14 -12.204 7.423 -6.900 1.00 51.24 C ATOM 217 C LYS A 14 -10.696 7.664 -6.664 1.00 11.43 C ATOM 218 O LYS A 14 -9.947 7.943 -7.616 1.00 72.41 O ATOM 219 CB LYS A 14 -13.055 8.493 -6.144 1.00 62.14 C ATOM 220 CG LYS A 14 -14.578 8.414 -6.399 1.00 50.15 C ATOM 221 CD LYS A 14 -14.961 8.593 -7.885 1.00 73.25 C ATOM 222 CE LYS A 14 -16.480 8.521 -8.107 1.00 0.52 C ATOM 223 NZ LYS A 14 -17.215 9.598 -7.384 1.00 41.53 N ATOM 0 H LYS A 14 -12.791 5.476 -7.434 1.00 31.34 H new ATOM 0 HA LYS A 14 -12.383 7.541 -7.969 1.00 51.24 H new ATOM 0 HB2 LYS A 14 -12.875 8.389 -5.074 1.00 62.14 H new ATOM 0 HB3 LYS A 14 -12.704 9.484 -6.432 1.00 62.14 H new ATOM 0 HG2 LYS A 14 -14.948 7.450 -6.050 1.00 50.15 H new ATOM 0 HG3 LYS A 14 -15.078 9.181 -5.808 1.00 50.15 H new ATOM 0 HD2 LYS A 14 -14.589 9.554 -8.241 1.00 73.25 H new ATOM 0 HD3 LYS A 14 -14.472 7.822 -8.480 1.00 73.25 H new ATOM 0 HE2 LYS A 14 -16.692 8.594 -9.174 1.00 0.52 H new ATOM 0 HE3 LYS A 14 -16.847 7.550 -7.775 1.00 0.52 H new ATOM 0 HZ1 LYS A 14 -18.211 9.601 -7.684 1.00 41.53 H new ATOM 0 HZ2 LYS A 14 -17.163 9.426 -6.360 1.00 41.53 H new ATOM 0 HZ3 LYS A 14 -16.785 10.519 -7.603 1.00 41.53 H new ATOM 237 N ALA A 15 -10.280 7.586 -5.397 1.00 41.40 N ATOM 238 CA ALA A 15 -8.893 7.853 -4.984 1.00 43.41 C ATOM 239 C ALA A 15 -7.902 6.820 -5.588 1.00 32.54 C ATOM 240 O ALA A 15 -8.049 5.610 -5.394 1.00 73.20 O ATOM 241 CB ALA A 15 -8.813 7.871 -3.452 1.00 64.03 C ATOM 0 H ALA A 15 -10.896 7.335 -4.623 1.00 41.40 H new ATOM 0 HA ALA A 15 -8.598 8.829 -5.369 1.00 43.41 H new ATOM 0 HB1 ALA A 15 -7.786 8.069 -3.144 1.00 64.03 H new ATOM 0 HB2 ALA A 15 -9.466 8.652 -3.063 1.00 64.03 H new ATOM 0 HB3 ALA A 15 -9.130 6.905 -3.060 1.00 64.03 H new ATOM 247 N GLU A 16 -6.936 7.342 -6.347 1.00 1.21 N ATOM 248 CA GLU A 16 -5.834 6.585 -6.963 1.00 73.44 C ATOM 249 C GLU A 16 -4.858 7.611 -7.538 1.00 53.12 C ATOM 250 O GLU A 16 -3.698 7.682 -7.144 1.00 42.33 O ATOM 251 CB GLU A 16 -6.328 5.626 -8.098 1.00 34.32 C ATOM 252 CG GLU A 16 -5.187 4.968 -8.926 1.00 23.53 C ATOM 253 CD GLU A 16 -5.651 4.172 -10.161 1.00 70.44 C ATOM 254 OE1 GLU A 16 -6.719 4.483 -10.724 1.00 72.41 O ATOM 255 OE2 GLU A 16 -4.925 3.247 -10.591 1.00 51.51 O ATOM 0 H GLU A 16 -6.894 8.339 -6.560 1.00 1.21 H new ATOM 0 HA GLU A 16 -5.364 5.952 -6.210 1.00 73.44 H new ATOM 0 HB2 GLU A 16 -6.937 4.839 -7.653 1.00 34.32 H new ATOM 0 HB3 GLU A 16 -6.975 6.186 -8.774 1.00 34.32 H new ATOM 0 HG2 GLU A 16 -4.500 5.748 -9.253 1.00 23.53 H new ATOM 0 HG3 GLU A 16 -4.624 4.301 -8.273 1.00 23.53 H new ATOM 262 N GLU A 17 -5.383 8.407 -8.480 1.00 62.24 N ATOM 263 CA GLU A 17 -4.666 9.526 -9.122 1.00 50.24 C ATOM 264 C GLU A 17 -5.550 10.787 -9.115 1.00 40.14 C ATOM 265 O GLU A 17 -5.029 11.908 -9.174 1.00 32.22 O ATOM 266 CB GLU A 17 -4.278 9.147 -10.574 1.00 12.23 C ATOM 267 CG GLU A 17 -5.482 8.922 -11.517 1.00 75.53 C ATOM 268 CD GLU A 17 -5.075 8.563 -12.949 1.00 52.41 C ATOM 269 OE1 GLU A 17 -4.566 9.449 -13.661 1.00 73.33 O ATOM 270 OE2 GLU A 17 -5.242 7.398 -13.360 1.00 45.22 O ATOM 0 H GLU A 17 -6.336 8.292 -8.826 1.00 62.24 H new ATOM 0 HA GLU A 17 -3.754 9.733 -8.562 1.00 50.24 H new ATOM 0 HB2 GLU A 17 -3.650 9.936 -10.988 1.00 12.23 H new ATOM 0 HB3 GLU A 17 -3.675 8.239 -10.551 1.00 12.23 H new ATOM 0 HG2 GLU A 17 -6.106 8.124 -11.114 1.00 75.53 H new ATOM 0 HG3 GLU A 17 -6.092 9.825 -11.536 1.00 75.53 H new ATOM 277 N LEU A 18 -6.893 10.577 -9.051 1.00 23.03 N ATOM 278 CA LEU A 18 -7.898 11.666 -9.036 1.00 55.33 C ATOM 279 C LEU A 18 -7.638 12.550 -7.809 1.00 52.35 C ATOM 280 O LEU A 18 -7.444 12.025 -6.701 1.00 24.23 O ATOM 281 CB LEU A 18 -9.358 11.079 -9.007 1.00 72.22 C ATOM 282 CG LEU A 18 -10.512 11.942 -9.657 1.00 53.10 C ATOM 283 CD1 LEU A 18 -11.844 11.156 -9.679 1.00 24.20 C ATOM 284 CD2 LEU A 18 -10.706 13.315 -8.972 1.00 24.42 C ATOM 0 H LEU A 18 -7.305 9.645 -9.008 1.00 23.03 H new ATOM 0 HA LEU A 18 -7.808 12.263 -9.943 1.00 55.33 H new ATOM 0 HB2 LEU A 18 -9.340 10.111 -9.509 1.00 72.22 H new ATOM 0 HB3 LEU A 18 -9.624 10.894 -7.966 1.00 72.22 H new ATOM 0 HG LEU A 18 -10.199 12.145 -10.681 1.00 53.10 H new ATOM 0 HD11 LEU A 18 -12.622 11.771 -10.131 1.00 24.20 H new ATOM 0 HD12 LEU A 18 -11.718 10.244 -10.262 1.00 24.20 H new ATOM 0 HD13 LEU A 18 -12.131 10.898 -8.660 1.00 24.20 H new ATOM 0 HD21 LEU A 18 -11.512 13.857 -9.466 1.00 24.42 H new ATOM 0 HD22 LEU A 18 -10.959 13.165 -7.922 1.00 24.42 H new ATOM 0 HD23 LEU A 18 -9.784 13.891 -9.045 1.00 24.42 H new ATOM 296 N ASN A 19 -7.632 13.871 -8.026 1.00 74.32 N ATOM 297 CA ASN A 19 -7.278 14.863 -7.005 1.00 74.22 C ATOM 298 C ASN A 19 -8.396 14.995 -5.943 1.00 41.02 C ATOM 299 O ASN A 19 -9.213 15.924 -5.988 1.00 50.54 O ATOM 300 CB ASN A 19 -6.958 16.231 -7.676 1.00 23.51 C ATOM 301 CG ASN A 19 -5.832 16.159 -8.722 1.00 51.32 C ATOM 302 OD1 ASN A 19 -4.984 15.269 -8.695 1.00 72.33 O ATOM 303 ND2 ASN A 19 -5.801 17.111 -9.641 1.00 51.33 N ATOM 0 H ASN A 19 -7.876 14.285 -8.926 1.00 74.32 H new ATOM 0 HA ASN A 19 -6.383 14.523 -6.484 1.00 74.22 H new ATOM 0 HB2 ASN A 19 -7.861 16.612 -8.153 1.00 23.51 H new ATOM 0 HB3 ASN A 19 -6.679 16.948 -6.904 1.00 23.51 H new ATOM 0 HD21 ASN A 19 -5.063 17.116 -10.346 1.00 51.33 H new ATOM 0 HD22 ASN A 19 -6.515 17.840 -9.645 1.00 51.33 H new ATOM 310 N GLN A 20 -8.430 14.003 -5.024 1.00 33.21 N ATOM 311 CA GLN A 20 -9.341 13.947 -3.876 1.00 60.20 C ATOM 312 C GLN A 20 -8.868 12.840 -2.901 1.00 31.45 C ATOM 313 O GLN A 20 -9.114 11.642 -3.104 1.00 31.43 O ATOM 314 CB GLN A 20 -10.832 13.747 -4.299 1.00 10.30 C ATOM 315 CG GLN A 20 -11.127 12.528 -5.203 1.00 74.15 C ATOM 316 CD GLN A 20 -12.615 12.335 -5.538 1.00 41.41 C ATOM 317 OE1 GLN A 20 -12.972 11.852 -6.618 1.00 33.53 O ATOM 318 NE2 GLN A 20 -13.501 12.671 -4.607 1.00 15.43 N ATOM 0 H GLN A 20 -7.803 13.200 -5.069 1.00 33.21 H new ATOM 0 HA GLN A 20 -9.308 14.911 -3.368 1.00 60.20 H new ATOM 0 HB2 GLN A 20 -11.435 13.658 -3.396 1.00 10.30 H new ATOM 0 HB3 GLN A 20 -11.165 14.646 -4.817 1.00 10.30 H new ATOM 0 HG2 GLN A 20 -10.568 12.636 -6.133 1.00 74.15 H new ATOM 0 HG3 GLN A 20 -10.757 11.628 -4.712 1.00 74.15 H new ATOM 0 HE21 GLN A 20 -13.185 13.068 -3.722 1.00 15.43 H new ATOM 0 HE22 GLN A 20 -14.497 12.532 -4.777 1.00 15.43 H new ATOM 327 N GLY A 21 -8.116 13.257 -1.877 1.00 44.44 N ATOM 328 CA GLY A 21 -7.708 12.384 -0.775 1.00 12.44 C ATOM 329 C GLY A 21 -8.073 13.001 0.570 1.00 73.31 C ATOM 330 O GLY A 21 -8.884 13.937 0.615 1.00 63.30 O ATOM 0 H GLY A 21 -7.773 14.214 -1.790 1.00 44.44 H new ATOM 0 HA2 GLY A 21 -8.191 11.412 -0.877 1.00 12.44 H new ATOM 0 HA3 GLY A 21 -6.633 12.212 -0.821 1.00 12.44 H new ATOM 334 N GLU A 22 -7.473 12.477 1.670 1.00 54.54 N ATOM 335 CA GLU A 22 -7.808 12.870 3.077 1.00 10.21 C ATOM 336 C GLU A 22 -9.327 12.643 3.331 1.00 13.13 C ATOM 337 O GLU A 22 -9.978 13.317 4.126 1.00 33.12 O ATOM 338 CB GLU A 22 -7.352 14.350 3.371 1.00 12.01 C ATOM 339 CG GLU A 22 -6.723 14.596 4.768 1.00 14.04 C ATOM 340 CD GLU A 22 -7.672 14.321 5.946 1.00 11.01 C ATOM 341 OE1 GLU A 22 -8.522 15.191 6.242 1.00 23.24 O ATOM 342 OE2 GLU A 22 -7.590 13.234 6.563 1.00 42.51 O ATOM 0 H GLU A 22 -6.741 11.769 1.613 1.00 54.54 H new ATOM 0 HA GLU A 22 -7.258 12.240 3.776 1.00 10.21 H new ATOM 0 HB2 GLU A 22 -6.629 14.646 2.610 1.00 12.01 H new ATOM 0 HB3 GLU A 22 -8.216 15.005 3.262 1.00 12.01 H new ATOM 0 HG2 GLU A 22 -5.841 13.965 4.873 1.00 14.04 H new ATOM 0 HG3 GLU A 22 -6.384 15.630 4.824 1.00 14.04 H new ATOM 349 N LEU A 23 -9.847 11.658 2.604 1.00 24.40 N ATOM 350 CA LEU A 23 -11.253 11.223 2.594 1.00 11.10 C ATOM 351 C LEU A 23 -11.215 9.711 2.381 1.00 1.15 C ATOM 352 O LEU A 23 -11.843 8.928 3.095 1.00 42.05 O ATOM 353 CB LEU A 23 -12.048 11.874 1.411 1.00 43.40 C ATOM 354 CG LEU A 23 -12.196 13.426 1.402 1.00 64.11 C ATOM 355 CD1 LEU A 23 -12.904 13.896 0.116 1.00 63.24 C ATOM 356 CD2 LEU A 23 -12.927 13.945 2.659 1.00 2.40 C ATOM 0 H LEU A 23 -9.271 11.107 1.968 1.00 24.40 H new ATOM 0 HA LEU A 23 -11.747 11.514 3.521 1.00 11.10 H new ATOM 0 HB2 LEU A 23 -11.565 11.578 0.480 1.00 43.40 H new ATOM 0 HB3 LEU A 23 -13.049 11.442 1.402 1.00 43.40 H new ATOM 0 HG LEU A 23 -11.192 13.851 1.419 1.00 64.11 H new ATOM 0 HD11 LEU A 23 -12.998 14.982 0.128 1.00 63.24 H new ATOM 0 HD12 LEU A 23 -12.320 13.592 -0.753 1.00 63.24 H new ATOM 0 HD13 LEU A 23 -13.896 13.447 0.062 1.00 63.24 H new ATOM 0 HD21 LEU A 23 -13.008 15.031 2.611 1.00 2.40 H new ATOM 0 HD22 LEU A 23 -13.925 13.509 2.706 1.00 2.40 H new ATOM 0 HD23 LEU A 23 -12.365 13.662 3.549 1.00 2.40 H new ATOM 368 N MET A 24 -10.414 9.352 1.374 1.00 72.31 N ATOM 369 CA MET A 24 -10.229 7.990 0.871 1.00 41.53 C ATOM 370 C MET A 24 -8.719 7.677 0.805 1.00 54.04 C ATOM 371 O MET A 24 -7.885 8.558 1.068 1.00 72.21 O ATOM 372 CB MET A 24 -10.882 7.900 -0.527 1.00 23.41 C ATOM 373 CG MET A 24 -12.411 8.049 -0.543 1.00 60.24 C ATOM 374 SD MET A 24 -13.039 8.514 -2.170 1.00 20.54 S ATOM 375 CE MET A 24 -12.195 10.080 -2.395 1.00 34.34 C ATOM 0 H MET A 24 -9.852 10.034 0.865 1.00 72.31 H new ATOM 0 HA MET A 24 -10.698 7.259 1.530 1.00 41.53 H new ATOM 0 HB2 MET A 24 -10.451 8.673 -1.163 1.00 23.41 H new ATOM 0 HB3 MET A 24 -10.621 6.939 -0.971 1.00 23.41 H new ATOM 0 HG2 MET A 24 -12.868 7.109 -0.235 1.00 60.24 H new ATOM 0 HG3 MET A 24 -12.708 8.802 0.187 1.00 60.24 H new ATOM 0 HE1 MET A 24 -12.909 10.834 -2.725 1.00 34.34 H new ATOM 0 HE2 MET A 24 -11.749 10.392 -1.451 1.00 34.34 H new ATOM 0 HE3 MET A 24 -11.413 9.967 -3.146 1.00 34.34 H new ATOM 385 N GLY A 25 -8.383 6.416 0.482 1.00 23.43 N ATOM 386 CA GLY A 25 -6.985 5.971 0.356 1.00 23.22 C ATOM 387 C GLY A 25 -6.508 5.252 1.604 1.00 14.12 C ATOM 388 O GLY A 25 -5.746 4.279 1.527 1.00 31.24 O ATOM 0 H GLY A 25 -9.068 5.682 0.302 1.00 23.43 H new ATOM 0 HA2 GLY A 25 -6.891 5.308 -0.504 1.00 23.22 H new ATOM 0 HA3 GLY A 25 -6.345 6.833 0.166 1.00 23.22 H new ATOM 392 N ARG A 26 -6.967 5.747 2.766 1.00 62.12 N ATOM 393 CA ARG A 26 -6.722 5.117 4.070 1.00 43.41 C ATOM 394 C ARG A 26 -7.482 3.782 4.146 1.00 52.14 C ATOM 395 O ARG A 26 -6.967 2.795 4.675 1.00 63.12 O ATOM 396 CB ARG A 26 -7.157 6.087 5.202 1.00 3.34 C ATOM 397 CG ARG A 26 -6.713 5.692 6.630 1.00 43.10 C ATOM 398 CD ARG A 26 -7.215 6.694 7.687 1.00 51.24 C ATOM 399 NE ARG A 26 -6.702 6.408 9.037 1.00 3.54 N ATOM 400 CZ ARG A 26 -7.066 7.072 10.154 1.00 60.34 C ATOM 401 NH1 ARG A 26 -7.961 8.073 10.095 1.00 10.22 N ATOM 402 NH2 ARG A 26 -6.501 6.761 11.319 1.00 25.33 N ATOM 0 H ARG A 26 -7.522 6.601 2.825 1.00 62.12 H new ATOM 0 HA ARG A 26 -5.659 4.907 4.194 1.00 43.41 H new ATOM 0 HB2 ARG A 26 -6.761 7.078 4.979 1.00 3.34 H new ATOM 0 HB3 ARG A 26 -8.244 6.168 5.188 1.00 3.34 H new ATOM 0 HG2 ARG A 26 -7.091 4.697 6.865 1.00 43.10 H new ATOM 0 HG3 ARG A 26 -5.625 5.638 6.670 1.00 43.10 H new ATOM 0 HD2 ARG A 26 -6.916 7.701 7.396 1.00 51.24 H new ATOM 0 HD3 ARG A 26 -8.305 6.678 7.707 1.00 51.24 H new ATOM 0 HE ARG A 26 -6.023 5.654 9.135 1.00 3.54 H new ATOM 0 HH11 ARG A 26 -8.372 8.337 9.200 1.00 10.22 H new ATOM 0 HH12 ARG A 26 -8.229 8.568 10.945 1.00 10.22 H new ATOM 0 HH21 ARG A 26 -5.797 6.024 11.364 1.00 25.33 H new ATOM 0 HH22 ARG A 26 -6.772 7.260 12.167 1.00 25.33 H new ATOM 416 N ALA A 27 -8.706 3.778 3.569 1.00 63.31 N ATOM 417 CA ALA A 27 -9.536 2.569 3.422 1.00 44.35 C ATOM 418 C ALA A 27 -8.811 1.497 2.588 1.00 15.42 C ATOM 419 O ALA A 27 -8.803 0.324 2.957 1.00 4.33 O ATOM 420 CB ALA A 27 -10.886 2.920 2.778 1.00 41.42 C ATOM 0 H ALA A 27 -9.144 4.619 3.192 1.00 63.31 H new ATOM 0 HA ALA A 27 -9.716 2.162 4.417 1.00 44.35 H new ATOM 0 HB1 ALA A 27 -11.487 2.016 2.677 1.00 41.42 H new ATOM 0 HB2 ALA A 27 -11.413 3.638 3.407 1.00 41.42 H new ATOM 0 HB3 ALA A 27 -10.717 3.356 1.793 1.00 41.42 H new ATOM 426 N LEU A 28 -8.174 1.951 1.485 1.00 0.34 N ATOM 427 CA LEU A 28 -7.439 1.091 0.526 1.00 11.23 C ATOM 428 C LEU A 28 -6.317 0.314 1.248 1.00 13.31 C ATOM 429 O LEU A 28 -6.102 -0.880 0.996 1.00 32.11 O ATOM 430 CB LEU A 28 -6.838 1.984 -0.604 1.00 30.11 C ATOM 431 CG LEU A 28 -6.690 1.367 -2.038 1.00 11.22 C ATOM 432 CD1 LEU A 28 -5.946 2.332 -2.974 1.00 23.33 C ATOM 433 CD2 LEU A 28 -6.043 -0.017 -2.050 1.00 74.54 C ATOM 0 H LEU A 28 -8.155 2.939 1.231 1.00 0.34 H new ATOM 0 HA LEU A 28 -8.127 0.367 0.090 1.00 11.23 H new ATOM 0 HB2 LEU A 28 -7.458 2.876 -0.688 1.00 30.11 H new ATOM 0 HB3 LEU A 28 -5.850 2.312 -0.279 1.00 30.11 H new ATOM 0 HG LEU A 28 -7.705 1.223 -2.409 1.00 11.22 H new ATOM 0 HD11 LEU A 28 -5.855 1.882 -3.963 1.00 23.33 H new ATOM 0 HD12 LEU A 28 -6.502 3.266 -3.050 1.00 23.33 H new ATOM 0 HD13 LEU A 28 -4.952 2.533 -2.574 1.00 23.33 H new ATOM 0 HD21 LEU A 28 -5.975 -0.378 -3.076 1.00 74.54 H new ATOM 0 HD22 LEU A 28 -5.043 0.045 -1.620 1.00 74.54 H new ATOM 0 HD23 LEU A 28 -6.649 -0.707 -1.462 1.00 74.54 H new ATOM 445 N TYR A 29 -5.625 1.024 2.145 1.00 25.11 N ATOM 446 CA TYR A 29 -4.519 0.481 2.937 1.00 21.11 C ATOM 447 C TYR A 29 -4.969 -0.742 3.771 1.00 53.44 C ATOM 448 O TYR A 29 -4.255 -1.746 3.828 1.00 31.43 O ATOM 449 CB TYR A 29 -3.941 1.609 3.828 1.00 74.13 C ATOM 450 CG TYR A 29 -2.770 1.187 4.720 1.00 62.21 C ATOM 451 CD1 TYR A 29 -1.514 0.928 4.173 1.00 23.31 C ATOM 452 CD2 TYR A 29 -2.913 1.050 6.105 1.00 3.13 C ATOM 453 CE1 TYR A 29 -0.453 0.551 4.966 1.00 33.14 C ATOM 454 CE2 TYR A 29 -1.847 0.675 6.901 1.00 62.50 C ATOM 455 CZ TYR A 29 -0.619 0.427 6.329 1.00 14.31 C ATOM 456 OH TYR A 29 0.448 0.053 7.127 1.00 65.04 O ATOM 0 H TYR A 29 -5.821 2.005 2.343 1.00 25.11 H new ATOM 0 HA TYR A 29 -3.736 0.122 2.269 1.00 21.11 H new ATOM 0 HB2 TYR A 29 -3.614 2.428 3.187 1.00 74.13 H new ATOM 0 HB3 TYR A 29 -4.739 1.998 4.460 1.00 74.13 H new ATOM 0 HD1 TYR A 29 -1.370 1.025 3.107 1.00 23.31 H new ATOM 0 HD2 TYR A 29 -3.874 1.241 6.560 1.00 3.13 H new ATOM 0 HE1 TYR A 29 0.510 0.352 4.520 1.00 33.14 H new ATOM 0 HE2 TYR A 29 -1.977 0.577 7.969 1.00 62.50 H new ATOM 0 HH TYR A 29 0.159 0.014 8.063 1.00 65.04 H new ATOM 466 N ASN A 30 -6.177 -0.658 4.373 1.00 4.12 N ATOM 467 CA ASN A 30 -6.750 -1.775 5.165 1.00 72.21 C ATOM 468 C ASN A 30 -7.086 -2.981 4.266 1.00 24.23 C ATOM 469 O ASN A 30 -6.840 -4.124 4.652 1.00 30.44 O ATOM 470 CB ASN A 30 -8.019 -1.347 5.939 1.00 4.31 C ATOM 471 CG ASN A 30 -7.781 -0.180 6.897 1.00 55.00 C ATOM 472 OD1 ASN A 30 -7.375 -0.360 8.049 1.00 2.35 O ATOM 473 ND2 ASN A 30 -8.069 1.026 6.443 1.00 13.04 N ATOM 0 H ASN A 30 -6.774 0.168 4.327 1.00 4.12 H new ATOM 0 HA ASN A 30 -5.986 -2.064 5.887 1.00 72.21 H new ATOM 0 HB2 ASN A 30 -8.794 -1.069 5.225 1.00 4.31 H new ATOM 0 HB3 ASN A 30 -8.396 -2.200 6.504 1.00 4.31 H new ATOM 0 HD21 ASN A 30 -7.958 1.839 7.049 1.00 13.04 H new ATOM 0 HD22 ASN A 30 -8.403 1.145 5.486 1.00 13.04 H new ATOM 480 N ILE A 31 -7.628 -2.701 3.059 1.00 23.13 N ATOM 481 CA ILE A 31 -7.999 -3.741 2.067 1.00 24.10 C ATOM 482 C ILE A 31 -6.774 -4.607 1.717 1.00 40.02 C ATOM 483 O ILE A 31 -6.843 -5.845 1.696 1.00 72.31 O ATOM 484 CB ILE A 31 -8.557 -3.108 0.734 1.00 34.42 C ATOM 485 CG1 ILE A 31 -9.707 -2.102 1.021 1.00 22.35 C ATOM 486 CG2 ILE A 31 -9.020 -4.201 -0.253 1.00 62.04 C ATOM 487 CD1 ILE A 31 -10.253 -1.384 -0.208 1.00 73.11 C ATOM 0 H ILE A 31 -7.821 -1.750 2.744 1.00 23.13 H new ATOM 0 HA ILE A 31 -8.779 -4.350 2.523 1.00 24.10 H new ATOM 0 HB ILE A 31 -7.739 -2.557 0.269 1.00 34.42 H new ATOM 0 HG12 ILE A 31 -10.525 -2.636 1.505 1.00 22.35 H new ATOM 0 HG13 ILE A 31 -9.349 -1.356 1.731 1.00 22.35 H new ATOM 0 HG21 ILE A 31 -9.399 -3.734 -1.162 1.00 62.04 H new ATOM 0 HG22 ILE A 31 -8.178 -4.847 -0.501 1.00 62.04 H new ATOM 0 HG23 ILE A 31 -9.810 -4.795 0.206 1.00 62.04 H new ATOM 0 HD11 ILE A 31 -11.050 -0.704 0.092 1.00 73.11 H new ATOM 0 HD12 ILE A 31 -9.453 -0.817 -0.684 1.00 73.11 H new ATOM 0 HD13 ILE A 31 -10.647 -2.117 -0.912 1.00 73.11 H new ATOM 499 N GLY A 32 -5.653 -3.906 1.471 1.00 41.44 N ATOM 500 CA GLY A 32 -4.386 -4.534 1.139 1.00 31.52 C ATOM 501 C GLY A 32 -3.840 -5.399 2.271 1.00 55.22 C ATOM 502 O GLY A 32 -3.313 -6.485 2.014 1.00 35.15 O ATOM 0 H GLY A 32 -5.612 -2.887 1.500 1.00 41.44 H new ATOM 0 HA2 GLY A 32 -4.513 -5.148 0.247 1.00 31.52 H new ATOM 0 HA3 GLY A 32 -3.657 -3.762 0.893 1.00 31.52 H new ATOM 506 N LEU A 33 -3.967 -4.907 3.529 1.00 35.03 N ATOM 507 CA LEU A 33 -3.521 -5.640 4.736 1.00 63.01 C ATOM 508 C LEU A 33 -4.220 -7.011 4.814 1.00 64.04 C ATOM 509 O LEU A 33 -3.556 -8.048 4.905 1.00 51.24 O ATOM 510 CB LEU A 33 -3.816 -4.821 6.034 1.00 5.15 C ATOM 511 CG LEU A 33 -3.002 -3.503 6.250 1.00 2.35 C ATOM 512 CD1 LEU A 33 -3.482 -2.762 7.517 1.00 25.54 C ATOM 513 CD2 LEU A 33 -1.485 -3.781 6.305 1.00 61.20 C ATOM 0 H LEU A 33 -4.379 -3.996 3.732 1.00 35.03 H new ATOM 0 HA LEU A 33 -2.444 -5.788 4.661 1.00 63.01 H new ATOM 0 HB2 LEU A 33 -4.876 -4.568 6.040 1.00 5.15 H new ATOM 0 HB3 LEU A 33 -3.639 -5.471 6.891 1.00 5.15 H new ATOM 0 HG LEU A 33 -3.183 -2.855 5.393 1.00 2.35 H new ATOM 0 HD11 LEU A 33 -2.901 -1.849 7.646 1.00 25.54 H new ATOM 0 HD12 LEU A 33 -4.537 -2.509 7.413 1.00 25.54 H new ATOM 0 HD13 LEU A 33 -3.347 -3.404 8.387 1.00 25.54 H new ATOM 0 HD21 LEU A 33 -0.949 -2.844 6.456 1.00 61.20 H new ATOM 0 HD22 LEU A 33 -1.269 -4.460 7.130 1.00 61.20 H new ATOM 0 HD23 LEU A 33 -1.164 -4.236 5.368 1.00 61.20 H new ATOM 525 N GLU A 34 -5.558 -6.982 4.695 1.00 70.24 N ATOM 526 CA GLU A 34 -6.412 -8.174 4.821 1.00 35.02 C ATOM 527 C GLU A 34 -6.129 -9.196 3.705 1.00 22.40 C ATOM 528 O GLU A 34 -6.158 -10.412 3.943 1.00 71.43 O ATOM 529 CB GLU A 34 -7.904 -7.763 4.824 1.00 44.54 C ATOM 530 CG GLU A 34 -8.286 -6.719 5.894 1.00 52.31 C ATOM 531 CD GLU A 34 -7.848 -7.111 7.319 1.00 42.53 C ATOM 532 OE1 GLU A 34 -8.495 -7.989 7.929 1.00 2.04 O ATOM 533 OE2 GLU A 34 -6.851 -6.554 7.836 1.00 75.34 O ATOM 0 H GLU A 34 -6.080 -6.126 4.508 1.00 70.24 H new ATOM 0 HA GLU A 34 -6.177 -8.657 5.770 1.00 35.02 H new ATOM 0 HB2 GLU A 34 -8.159 -7.365 3.842 1.00 44.54 H new ATOM 0 HB3 GLU A 34 -8.512 -8.655 4.974 1.00 44.54 H new ATOM 0 HG2 GLU A 34 -7.834 -5.762 5.634 1.00 52.31 H new ATOM 0 HG3 GLU A 34 -9.366 -6.576 5.881 1.00 52.31 H new ATOM 540 N LYS A 35 -5.841 -8.688 2.491 1.00 1.13 N ATOM 541 CA LYS A 35 -5.457 -9.522 1.343 1.00 71.33 C ATOM 542 C LYS A 35 -4.110 -10.236 1.590 1.00 74.30 C ATOM 543 O LYS A 35 -4.015 -11.451 1.409 1.00 74.41 O ATOM 544 CB LYS A 35 -5.431 -8.684 0.038 1.00 42.10 C ATOM 545 CG LYS A 35 -6.833 -8.435 -0.568 1.00 23.23 C ATOM 546 CD LYS A 35 -6.763 -7.755 -1.942 1.00 10.20 C ATOM 547 CE LYS A 35 -8.133 -7.626 -2.627 1.00 44.33 C ATOM 548 NZ LYS A 35 -8.724 -8.940 -2.996 1.00 71.12 N ATOM 0 H LYS A 35 -5.869 -7.690 2.282 1.00 1.13 H new ATOM 0 HA LYS A 35 -6.212 -10.299 1.223 1.00 71.33 H new ATOM 0 HB2 LYS A 35 -4.957 -7.724 0.242 1.00 42.10 H new ATOM 0 HB3 LYS A 35 -4.811 -9.195 -0.699 1.00 42.10 H new ATOM 0 HG2 LYS A 35 -7.359 -9.385 -0.662 1.00 23.23 H new ATOM 0 HG3 LYS A 35 -7.415 -7.814 0.113 1.00 23.23 H new ATOM 0 HD2 LYS A 35 -6.327 -6.763 -1.827 1.00 10.20 H new ATOM 0 HD3 LYS A 35 -6.094 -8.324 -2.588 1.00 10.20 H new ATOM 0 HE2 LYS A 35 -8.818 -7.100 -1.962 1.00 44.33 H new ATOM 0 HE3 LYS A 35 -8.028 -7.016 -3.524 1.00 44.33 H new ATOM 0 HZ1 LYS A 35 -9.398 -8.810 -3.777 1.00 71.12 H new ATOM 0 HZ2 LYS A 35 -7.968 -9.589 -3.295 1.00 71.12 H new ATOM 0 HZ3 LYS A 35 -9.219 -9.341 -2.174 1.00 71.12 H new ATOM 562 N ASN A 36 -3.095 -9.480 2.053 1.00 3.41 N ATOM 563 CA ASN A 36 -1.737 -10.020 2.347 1.00 2.44 C ATOM 564 C ASN A 36 -1.798 -11.119 3.438 1.00 1.10 C ATOM 565 O ASN A 36 -1.046 -12.101 3.399 1.00 63.34 O ATOM 566 CB ASN A 36 -0.791 -8.856 2.772 1.00 52.35 C ATOM 567 CG ASN A 36 0.674 -9.267 2.993 1.00 75.45 C ATOM 568 OD1 ASN A 36 1.160 -10.244 2.423 1.00 54.15 O ATOM 569 ND2 ASN A 36 1.400 -8.489 3.785 1.00 3.02 N ATOM 0 H ASN A 36 -3.185 -8.481 2.236 1.00 3.41 H new ATOM 0 HA ASN A 36 -1.339 -10.483 1.444 1.00 2.44 H new ATOM 0 HB2 ASN A 36 -0.825 -8.080 2.007 1.00 52.35 H new ATOM 0 HB3 ASN A 36 -1.173 -8.413 3.692 1.00 52.35 H new ATOM 0 HD21 ASN A 36 2.388 -8.694 3.935 1.00 3.02 H new ATOM 0 HD22 ASN A 36 0.970 -7.686 4.244 1.00 3.02 H new ATOM 576 N LYS A 37 -2.749 -10.951 4.372 1.00 32.05 N ATOM 577 CA LYS A 37 -3.002 -11.899 5.478 1.00 31.01 C ATOM 578 C LYS A 37 -3.602 -13.235 4.977 1.00 30.10 C ATOM 579 O LYS A 37 -3.442 -14.269 5.631 1.00 45.42 O ATOM 580 CB LYS A 37 -3.939 -11.222 6.518 1.00 61.03 C ATOM 581 CG LYS A 37 -3.264 -10.081 7.324 1.00 3.10 C ATOM 582 CD LYS A 37 -4.275 -9.129 8.013 1.00 65.50 C ATOM 583 CE LYS A 37 -5.218 -9.823 9.005 1.00 20.44 C ATOM 584 NZ LYS A 37 -6.157 -8.845 9.631 1.00 50.11 N ATOM 0 H LYS A 37 -3.373 -10.144 4.383 1.00 32.05 H new ATOM 0 HA LYS A 37 -2.050 -12.147 5.946 1.00 31.01 H new ATOM 0 HB2 LYS A 37 -4.811 -10.821 6.000 1.00 61.03 H new ATOM 0 HB3 LYS A 37 -4.301 -11.979 7.213 1.00 61.03 H new ATOM 0 HG2 LYS A 37 -2.614 -10.518 8.082 1.00 3.10 H new ATOM 0 HG3 LYS A 37 -2.629 -9.501 6.655 1.00 3.10 H new ATOM 0 HD2 LYS A 37 -3.723 -8.350 8.538 1.00 65.50 H new ATOM 0 HD3 LYS A 37 -4.872 -8.635 7.246 1.00 65.50 H new ATOM 0 HE2 LYS A 37 -5.786 -10.598 8.490 1.00 20.44 H new ATOM 0 HE3 LYS A 37 -4.634 -10.318 9.781 1.00 20.44 H new ATOM 0 HZ1 LYS A 37 -6.379 -9.149 10.601 1.00 50.11 H new ATOM 0 HZ2 LYS A 37 -5.713 -7.905 9.656 1.00 50.11 H new ATOM 0 HZ3 LYS A 37 -7.034 -8.799 9.073 1.00 50.11 H new ATOM 598 N MET A 38 -4.297 -13.205 3.824 1.00 15.33 N ATOM 599 CA MET A 38 -4.867 -14.429 3.197 1.00 15.14 C ATOM 600 C MET A 38 -3.872 -15.072 2.208 1.00 14.50 C ATOM 601 O MET A 38 -4.053 -16.226 1.797 1.00 53.10 O ATOM 602 CB MET A 38 -6.188 -14.121 2.450 1.00 25.22 C ATOM 603 CG MET A 38 -7.297 -13.484 3.295 1.00 12.05 C ATOM 604 SD MET A 38 -8.890 -13.459 2.435 1.00 71.32 S ATOM 605 CE MET A 38 -8.428 -12.914 0.788 1.00 41.13 C ATOM 0 H MET A 38 -4.481 -12.349 3.302 1.00 15.33 H new ATOM 0 HA MET A 38 -5.069 -15.128 4.009 1.00 15.14 H new ATOM 0 HB2 MET A 38 -5.965 -13.456 1.615 1.00 25.22 H new ATOM 0 HB3 MET A 38 -6.569 -15.050 2.025 1.00 25.22 H new ATOM 0 HG2 MET A 38 -7.400 -14.035 4.230 1.00 12.05 H new ATOM 0 HG3 MET A 38 -7.012 -12.465 3.556 1.00 12.05 H new ATOM 0 HE1 MET A 38 -9.322 -12.619 0.238 1.00 41.13 H new ATOM 0 HE2 MET A 38 -7.751 -12.063 0.863 1.00 41.13 H new ATOM 0 HE3 MET A 38 -7.931 -13.728 0.261 1.00 41.13 H new ATOM 615 N GLY A 39 -2.828 -14.315 1.826 1.00 4.33 N ATOM 616 CA GLY A 39 -1.844 -14.767 0.835 1.00 50.00 C ATOM 617 C GLY A 39 -2.014 -14.103 -0.523 1.00 1.11 C ATOM 618 O GLY A 39 -1.354 -14.491 -1.489 1.00 22.51 O ATOM 0 H GLY A 39 -2.646 -13.381 2.194 1.00 4.33 H new ATOM 0 HA2 GLY A 39 -0.841 -14.563 1.209 1.00 50.00 H new ATOM 0 HA3 GLY A 39 -1.926 -15.847 0.717 1.00 50.00 H new ATOM 622 N LYS A 40 -2.909 -13.096 -0.593 1.00 62.44 N ATOM 623 CA LYS A 40 -3.149 -12.287 -1.808 1.00 62.21 C ATOM 624 C LYS A 40 -2.217 -11.054 -1.802 1.00 14.13 C ATOM 625 O LYS A 40 -2.638 -9.928 -2.102 1.00 44.11 O ATOM 626 CB LYS A 40 -4.647 -11.855 -1.860 1.00 32.13 C ATOM 627 CG LYS A 40 -5.718 -12.966 -1.709 1.00 62.51 C ATOM 628 CD LYS A 40 -5.827 -13.953 -2.908 1.00 62.25 C ATOM 629 CE LYS A 40 -4.769 -15.064 -2.912 1.00 40.11 C ATOM 630 NZ LYS A 40 -4.999 -16.059 -4.000 1.00 55.22 N ATOM 0 H LYS A 40 -3.490 -12.819 0.198 1.00 62.44 H new ATOM 0 HA LYS A 40 -2.930 -12.879 -2.697 1.00 62.21 H new ATOM 0 HB2 LYS A 40 -4.812 -11.119 -1.073 1.00 32.13 H new ATOM 0 HB3 LYS A 40 -4.818 -11.349 -2.810 1.00 32.13 H new ATOM 0 HG2 LYS A 40 -5.499 -13.538 -0.807 1.00 62.51 H new ATOM 0 HG3 LYS A 40 -6.689 -12.494 -1.559 1.00 62.51 H new ATOM 0 HD2 LYS A 40 -6.816 -14.410 -2.898 1.00 62.25 H new ATOM 0 HD3 LYS A 40 -5.747 -13.388 -3.837 1.00 62.25 H new ATOM 0 HE2 LYS A 40 -3.780 -14.621 -3.031 1.00 40.11 H new ATOM 0 HE3 LYS A 40 -4.777 -15.574 -1.949 1.00 40.11 H new ATOM 0 HZ1 LYS A 40 -4.260 -16.790 -3.964 1.00 55.22 H new ATOM 0 HZ2 LYS A 40 -5.931 -16.502 -3.874 1.00 55.22 H new ATOM 0 HZ3 LYS A 40 -4.966 -15.579 -4.922 1.00 55.22 H new ATOM 644 N ALA A 41 -0.932 -11.303 -1.486 1.00 12.25 N ATOM 645 CA ALA A 41 0.104 -10.268 -1.346 1.00 74.15 C ATOM 646 C ALA A 41 0.431 -9.596 -2.692 1.00 11.43 C ATOM 647 O ALA A 41 0.937 -8.469 -2.715 1.00 3.43 O ATOM 648 CB ALA A 41 1.362 -10.883 -0.729 1.00 12.42 C ATOM 0 H ALA A 41 -0.581 -12.246 -1.318 1.00 12.25 H new ATOM 0 HA ALA A 41 -0.280 -9.489 -0.687 1.00 74.15 H new ATOM 0 HB1 ALA A 41 2.129 -10.116 -0.626 1.00 12.42 H new ATOM 0 HB2 ALA A 41 1.123 -11.292 0.253 1.00 12.42 H new ATOM 0 HB3 ALA A 41 1.731 -11.680 -1.374 1.00 12.42 H new ATOM 654 N ARG A 42 0.154 -10.316 -3.797 1.00 24.13 N ATOM 655 CA ARG A 42 0.290 -9.797 -5.168 1.00 41.13 C ATOM 656 C ARG A 42 -0.660 -8.602 -5.386 1.00 4.34 C ATOM 657 O ARG A 42 -0.229 -7.533 -5.846 1.00 51.11 O ATOM 658 CB ARG A 42 0.000 -10.923 -6.197 1.00 12.33 C ATOM 659 CG ARG A 42 0.046 -10.475 -7.676 1.00 41.02 C ATOM 660 CD ARG A 42 1.427 -9.961 -8.122 1.00 2.00 C ATOM 661 NE ARG A 42 1.367 -9.407 -9.482 1.00 44.24 N ATOM 662 CZ ARG A 42 1.565 -8.118 -9.804 1.00 21.42 C ATOM 663 NH1 ARG A 42 1.832 -7.213 -8.862 1.00 2.00 N ATOM 664 NH2 ARG A 42 1.485 -7.743 -11.073 1.00 51.12 N ATOM 0 H ARG A 42 -0.173 -11.282 -3.760 1.00 24.13 H new ATOM 0 HA ARG A 42 1.313 -9.451 -5.313 1.00 41.13 H new ATOM 0 HB2 ARG A 42 0.724 -11.724 -6.052 1.00 12.33 H new ATOM 0 HB3 ARG A 42 -0.985 -11.342 -5.989 1.00 12.33 H new ATOM 0 HG2 ARG A 42 -0.242 -11.313 -8.310 1.00 41.02 H new ATOM 0 HG3 ARG A 42 -0.693 -9.689 -7.832 1.00 41.02 H new ATOM 0 HD2 ARG A 42 1.776 -9.196 -7.429 1.00 2.00 H new ATOM 0 HD3 ARG A 42 2.151 -10.775 -8.088 1.00 2.00 H new ATOM 0 HE ARG A 42 1.158 -10.054 -10.243 1.00 44.24 H new ATOM 0 HH11 ARG A 42 1.888 -7.496 -7.884 1.00 2.00 H new ATOM 0 HH12 ARG A 42 1.980 -6.237 -9.120 1.00 2.00 H new ATOM 0 HH21 ARG A 42 1.275 -8.431 -11.796 1.00 51.12 H new ATOM 0 HH22 ARG A 42 1.634 -6.766 -11.327 1.00 51.12 H new ATOM 678 N GLU A 43 -1.947 -8.801 -5.029 1.00 51.03 N ATOM 679 CA GLU A 43 -2.959 -7.734 -5.062 1.00 42.10 C ATOM 680 C GLU A 43 -2.564 -6.628 -4.076 1.00 51.25 C ATOM 681 O GLU A 43 -2.522 -5.456 -4.434 1.00 63.01 O ATOM 682 CB GLU A 43 -4.365 -8.279 -4.697 1.00 5.01 C ATOM 683 CG GLU A 43 -4.883 -9.428 -5.589 1.00 64.21 C ATOM 684 CD GLU A 43 -6.341 -9.803 -5.270 1.00 65.43 C ATOM 685 OE1 GLU A 43 -7.270 -9.200 -5.858 1.00 71.01 O ATOM 686 OE2 GLU A 43 -6.575 -10.664 -4.403 1.00 53.34 O ATOM 0 H GLU A 43 -2.308 -9.701 -4.712 1.00 51.03 H new ATOM 0 HA GLU A 43 -3.003 -7.334 -6.075 1.00 42.10 H new ATOM 0 HB2 GLU A 43 -4.345 -8.625 -3.664 1.00 5.01 H new ATOM 0 HB3 GLU A 43 -5.078 -7.456 -4.744 1.00 5.01 H new ATOM 0 HG2 GLU A 43 -4.806 -9.135 -6.636 1.00 64.21 H new ATOM 0 HG3 GLU A 43 -4.247 -10.303 -5.456 1.00 64.21 H new ATOM 693 N ALA A 44 -2.197 -7.059 -2.854 1.00 25.00 N ATOM 694 CA ALA A 44 -1.856 -6.169 -1.737 1.00 45.33 C ATOM 695 C ALA A 44 -0.734 -5.183 -2.103 1.00 45.25 C ATOM 696 O ALA A 44 -0.798 -4.017 -1.718 1.00 43.11 O ATOM 697 CB ALA A 44 -1.474 -6.996 -0.506 1.00 63.54 C ATOM 0 H ALA A 44 -2.129 -8.049 -2.616 1.00 25.00 H new ATOM 0 HA ALA A 44 -2.739 -5.572 -1.507 1.00 45.33 H new ATOM 0 HB1 ALA A 44 -1.223 -6.328 0.318 1.00 63.54 H new ATOM 0 HB2 ALA A 44 -2.314 -7.628 -0.217 1.00 63.54 H new ATOM 0 HB3 ALA A 44 -0.613 -7.622 -0.741 1.00 63.54 H new ATOM 703 N ALA A 45 0.252 -5.651 -2.893 1.00 14.23 N ATOM 704 CA ALA A 45 1.378 -4.815 -3.346 1.00 75.45 C ATOM 705 C ALA A 45 0.881 -3.640 -4.211 1.00 23.02 C ATOM 706 O ALA A 45 1.246 -2.483 -3.968 1.00 41.21 O ATOM 707 CB ALA A 45 2.398 -5.668 -4.113 1.00 10.01 C ATOM 0 H ALA A 45 0.290 -6.612 -3.232 1.00 14.23 H new ATOM 0 HA ALA A 45 1.869 -4.395 -2.468 1.00 75.45 H new ATOM 0 HB1 ALA A 45 3.225 -5.038 -4.442 1.00 10.01 H new ATOM 0 HB2 ALA A 45 2.778 -6.454 -3.461 1.00 10.01 H new ATOM 0 HB3 ALA A 45 1.917 -6.118 -4.981 1.00 10.01 H new ATOM 713 N GLU A 46 0.010 -3.962 -5.197 1.00 1.13 N ATOM 714 CA GLU A 46 -0.657 -2.964 -6.069 1.00 52.31 C ATOM 715 C GLU A 46 -1.484 -1.957 -5.228 1.00 3.23 C ATOM 716 O GLU A 46 -1.583 -0.773 -5.561 1.00 0.32 O ATOM 717 CB GLU A 46 -1.599 -3.681 -7.078 1.00 72.15 C ATOM 718 CG GLU A 46 -0.940 -4.753 -7.972 1.00 30.12 C ATOM 719 CD GLU A 46 0.093 -4.194 -8.972 1.00 14.04 C ATOM 720 OE1 GLU A 46 -0.313 -3.497 -9.930 1.00 71.52 O ATOM 721 OE2 GLU A 46 1.307 -4.446 -8.811 1.00 51.53 O ATOM 0 H GLU A 46 -0.251 -4.925 -5.411 1.00 1.13 H new ATOM 0 HA GLU A 46 0.117 -2.420 -6.610 1.00 52.31 H new ATOM 0 HB2 GLU A 46 -2.409 -4.150 -6.519 1.00 72.15 H new ATOM 0 HB3 GLU A 46 -2.051 -2.927 -7.722 1.00 72.15 H new ATOM 0 HG2 GLU A 46 -0.451 -5.490 -7.335 1.00 30.12 H new ATOM 0 HG3 GLU A 46 -1.719 -5.277 -8.526 1.00 30.12 H new ATOM 728 N TYR A 47 -2.057 -2.465 -4.127 1.00 45.12 N ATOM 729 CA TYR A 47 -2.974 -1.723 -3.246 1.00 4.31 C ATOM 730 C TYR A 47 -2.232 -0.736 -2.334 1.00 33.04 C ATOM 731 O TYR A 47 -2.729 0.367 -2.083 1.00 13.13 O ATOM 732 CB TYR A 47 -3.827 -2.728 -2.417 1.00 51.13 C ATOM 733 CG TYR A 47 -4.965 -3.400 -3.212 1.00 44.53 C ATOM 734 CD1 TYR A 47 -4.847 -3.687 -4.580 1.00 13.21 C ATOM 735 CD2 TYR A 47 -6.170 -3.732 -2.597 1.00 50.11 C ATOM 736 CE1 TYR A 47 -5.867 -4.282 -5.287 1.00 61.33 C ATOM 737 CE2 TYR A 47 -7.193 -4.321 -3.305 1.00 50.54 C ATOM 738 CZ TYR A 47 -7.038 -4.599 -4.646 1.00 53.04 C ATOM 739 OH TYR A 47 -8.061 -5.191 -5.347 1.00 3.43 O ATOM 0 H TYR A 47 -1.893 -3.423 -3.817 1.00 45.12 H new ATOM 0 HA TYR A 47 -3.635 -1.123 -3.871 1.00 4.31 H new ATOM 0 HB2 TYR A 47 -3.171 -3.502 -2.019 1.00 51.13 H new ATOM 0 HB3 TYR A 47 -4.256 -2.204 -1.563 1.00 51.13 H new ATOM 0 HD1 TYR A 47 -3.931 -3.434 -5.093 1.00 13.21 H new ATOM 0 HD2 TYR A 47 -6.304 -3.524 -1.546 1.00 50.11 H new ATOM 0 HE1 TYR A 47 -5.747 -4.498 -6.338 1.00 61.33 H new ATOM 0 HE2 TYR A 47 -8.120 -4.566 -2.808 1.00 50.54 H new ATOM 0 HH TYR A 47 -8.855 -5.256 -4.776 1.00 3.43 H new ATOM 749 N PHE A 48 -1.048 -1.135 -1.841 1.00 60.11 N ATOM 750 CA PHE A 48 -0.203 -0.254 -1.009 1.00 21.23 C ATOM 751 C PHE A 48 0.506 0.782 -1.873 1.00 2.31 C ATOM 752 O PHE A 48 0.887 1.839 -1.380 1.00 63.41 O ATOM 753 CB PHE A 48 0.832 -1.059 -0.192 1.00 51.23 C ATOM 754 CG PHE A 48 0.219 -2.040 0.792 1.00 71.31 C ATOM 755 CD1 PHE A 48 -0.783 -1.630 1.668 1.00 32.14 C ATOM 756 CD2 PHE A 48 0.641 -3.365 0.844 1.00 34.55 C ATOM 757 CE1 PHE A 48 -1.339 -2.514 2.561 1.00 33.13 C ATOM 758 CE2 PHE A 48 0.084 -4.252 1.740 1.00 74.22 C ATOM 759 CZ PHE A 48 -0.906 -3.828 2.595 1.00 32.01 C ATOM 0 H PHE A 48 -0.652 -2.061 -2.003 1.00 60.11 H new ATOM 0 HA PHE A 48 -0.861 0.257 -0.306 1.00 21.23 H new ATOM 0 HB2 PHE A 48 1.476 -1.606 -0.880 1.00 51.23 H new ATOM 0 HB3 PHE A 48 1.468 -0.363 0.354 1.00 51.23 H new ATOM 0 HD1 PHE A 48 -1.127 -0.606 1.645 1.00 32.14 H new ATOM 0 HD2 PHE A 48 1.416 -3.703 0.172 1.00 34.55 H new ATOM 0 HE1 PHE A 48 -2.114 -2.183 3.236 1.00 33.13 H new ATOM 0 HE2 PHE A 48 0.424 -5.277 1.770 1.00 74.22 H new ATOM 0 HZ PHE A 48 -1.347 -4.522 3.295 1.00 32.01 H new ATOM 769 N PHE A 49 0.701 0.446 -3.161 1.00 12.21 N ATOM 770 CA PHE A 49 1.250 1.373 -4.152 1.00 2.14 C ATOM 771 C PHE A 49 0.246 2.503 -4.431 1.00 54.20 C ATOM 772 O PHE A 49 0.595 3.682 -4.366 1.00 43.13 O ATOM 773 CB PHE A 49 1.596 0.632 -5.465 1.00 5.20 C ATOM 774 CG PHE A 49 2.329 1.505 -6.475 1.00 12.53 C ATOM 775 CD1 PHE A 49 3.645 1.878 -6.238 1.00 62.33 C ATOM 776 CD2 PHE A 49 1.719 1.960 -7.648 1.00 31.13 C ATOM 777 CE1 PHE A 49 4.328 2.667 -7.128 1.00 0.12 C ATOM 778 CE2 PHE A 49 2.412 2.759 -8.541 1.00 2.52 C ATOM 779 CZ PHE A 49 3.722 3.110 -8.279 1.00 15.02 C ATOM 0 H PHE A 49 0.481 -0.476 -3.538 1.00 12.21 H new ATOM 0 HA PHE A 49 2.167 1.803 -3.749 1.00 2.14 H new ATOM 0 HB2 PHE A 49 2.211 -0.237 -5.232 1.00 5.20 H new ATOM 0 HB3 PHE A 49 0.677 0.260 -5.917 1.00 5.20 H new ATOM 0 HD1 PHE A 49 4.139 1.542 -5.338 1.00 62.33 H new ATOM 0 HD2 PHE A 49 0.696 1.685 -7.860 1.00 31.13 H new ATOM 0 HE1 PHE A 49 5.352 2.943 -6.922 1.00 0.12 H new ATOM 0 HE2 PHE A 49 1.929 3.108 -9.442 1.00 2.52 H new ATOM 0 HZ PHE A 49 4.267 3.730 -8.975 1.00 15.02 H new ATOM 789 N ARG A 50 -1.003 2.103 -4.736 1.00 41.45 N ATOM 790 CA ARG A 50 -2.125 3.032 -4.968 1.00 61.02 C ATOM 791 C ARG A 50 -2.384 3.905 -3.725 1.00 63.25 C ATOM 792 O ARG A 50 -2.553 5.123 -3.847 1.00 41.12 O ATOM 793 CB ARG A 50 -3.413 2.245 -5.349 1.00 73.04 C ATOM 794 CG ARG A 50 -3.535 1.818 -6.829 1.00 45.22 C ATOM 795 CD ARG A 50 -4.849 1.042 -7.105 1.00 53.43 C ATOM 796 NE ARG A 50 -5.283 1.151 -8.510 1.00 71.21 N ATOM 797 CZ ARG A 50 -6.467 0.725 -8.997 1.00 11.12 C ATOM 798 NH1 ARG A 50 -7.368 0.127 -8.204 1.00 44.25 N ATOM 799 NH2 ARG A 50 -6.765 0.956 -10.275 1.00 32.55 N ATOM 0 H ARG A 50 -1.263 1.121 -4.829 1.00 41.45 H new ATOM 0 HA ARG A 50 -1.855 3.687 -5.796 1.00 61.02 H new ATOM 0 HB2 ARG A 50 -3.465 1.350 -4.728 1.00 73.04 H new ATOM 0 HB3 ARG A 50 -4.278 2.859 -5.096 1.00 73.04 H new ATOM 0 HG2 ARG A 50 -3.496 2.702 -7.465 1.00 45.22 H new ATOM 0 HG3 ARG A 50 -2.683 1.194 -7.097 1.00 45.22 H new ATOM 0 HD2 ARG A 50 -4.707 -0.009 -6.852 1.00 53.43 H new ATOM 0 HD3 ARG A 50 -5.636 1.423 -6.454 1.00 53.43 H new ATOM 0 HE ARG A 50 -4.635 1.584 -9.168 1.00 71.21 H new ATOM 0 HH11 ARG A 50 -7.164 -0.012 -7.214 1.00 44.25 H new ATOM 0 HH12 ARG A 50 -8.258 -0.188 -8.590 1.00 44.25 H new ATOM 0 HH21 ARG A 50 -6.102 1.449 -10.872 1.00 32.55 H new ATOM 0 HH22 ARG A 50 -7.657 0.639 -10.656 1.00 32.55 H new ATOM 813 N ALA A 51 -2.399 3.263 -2.531 1.00 4.05 N ATOM 814 CA ALA A 51 -2.573 3.963 -1.249 1.00 33.30 C ATOM 815 C ALA A 51 -1.457 4.998 -1.060 1.00 42.30 C ATOM 816 O ALA A 51 -1.729 6.153 -0.720 1.00 25.13 O ATOM 817 CB ALA A 51 -2.593 2.956 -0.086 1.00 72.34 C ATOM 0 H ALA A 51 -2.291 2.253 -2.437 1.00 4.05 H new ATOM 0 HA ALA A 51 -3.529 4.486 -1.258 1.00 33.30 H new ATOM 0 HB1 ALA A 51 -2.722 3.490 0.855 1.00 72.34 H new ATOM 0 HB2 ALA A 51 -3.419 2.258 -0.224 1.00 72.34 H new ATOM 0 HB3 ALA A 51 -1.652 2.406 -0.065 1.00 72.34 H new ATOM 823 N ALA A 52 -0.208 4.572 -1.361 1.00 63.41 N ATOM 824 CA ALA A 52 0.986 5.423 -1.257 1.00 61.20 C ATOM 825 C ALA A 52 0.867 6.679 -2.137 1.00 4.54 C ATOM 826 O ALA A 52 1.273 7.755 -1.713 1.00 61.43 O ATOM 827 CB ALA A 52 2.254 4.636 -1.618 1.00 63.04 C ATOM 0 H ALA A 52 -0.007 3.625 -1.683 1.00 63.41 H new ATOM 0 HA ALA A 52 1.061 5.748 -0.219 1.00 61.20 H new ATOM 0 HB1 ALA A 52 3.123 5.288 -1.533 1.00 63.04 H new ATOM 0 HB2 ALA A 52 2.365 3.793 -0.937 1.00 63.04 H new ATOM 0 HB3 ALA A 52 2.175 4.268 -2.641 1.00 63.04 H new ATOM 833 N ILE A 53 0.282 6.527 -3.350 1.00 24.33 N ATOM 834 CA ILE A 53 0.038 7.661 -4.268 1.00 71.10 C ATOM 835 C ILE A 53 -0.973 8.660 -3.655 1.00 42.33 C ATOM 836 O ILE A 53 -0.739 9.860 -3.695 1.00 55.33 O ATOM 837 CB ILE A 53 -0.485 7.201 -5.688 1.00 72.13 C ATOM 838 CG1 ILE A 53 0.498 6.205 -6.369 1.00 32.12 C ATOM 839 CG2 ILE A 53 -0.727 8.425 -6.612 1.00 64.00 C ATOM 840 CD1 ILE A 53 -0.020 5.571 -7.651 1.00 62.40 C ATOM 0 H ILE A 53 -0.030 5.627 -3.714 1.00 24.33 H new ATOM 0 HA ILE A 53 1.004 8.147 -4.408 1.00 71.10 H new ATOM 0 HB ILE A 53 -1.432 6.685 -5.530 1.00 72.13 H new ATOM 0 HG12 ILE A 53 1.428 6.729 -6.590 1.00 32.12 H new ATOM 0 HG13 ILE A 53 0.739 5.413 -5.660 1.00 32.12 H new ATOM 0 HG21 ILE A 53 -1.086 8.083 -7.583 1.00 64.00 H new ATOM 0 HG22 ILE A 53 -1.471 9.081 -6.160 1.00 64.00 H new ATOM 0 HG23 ILE A 53 0.207 8.972 -6.743 1.00 64.00 H new ATOM 0 HD11 ILE A 53 0.734 4.893 -8.052 1.00 62.40 H new ATOM 0 HD12 ILE A 53 -0.933 5.014 -7.439 1.00 62.40 H new ATOM 0 HD13 ILE A 53 -0.232 6.351 -8.382 1.00 62.40 H new ATOM 852 N VAL A 54 -2.080 8.139 -3.069 1.00 44.21 N ATOM 853 CA VAL A 54 -3.162 8.980 -2.490 1.00 30.03 C ATOM 854 C VAL A 54 -2.633 9.829 -1.308 1.00 22.45 C ATOM 855 O VAL A 54 -2.894 11.042 -1.235 1.00 0.43 O ATOM 856 CB VAL A 54 -4.394 8.115 -2.017 1.00 51.31 C ATOM 857 CG1 VAL A 54 -5.529 9.007 -1.446 1.00 44.02 C ATOM 858 CG2 VAL A 54 -4.919 7.222 -3.164 1.00 53.24 C ATOM 0 H VAL A 54 -2.249 7.137 -2.984 1.00 44.21 H new ATOM 0 HA VAL A 54 -3.501 9.646 -3.284 1.00 30.03 H new ATOM 0 HB VAL A 54 -4.048 7.465 -1.213 1.00 51.31 H new ATOM 0 HG11 VAL A 54 -6.362 8.378 -1.130 1.00 44.02 H new ATOM 0 HG12 VAL A 54 -5.154 9.570 -0.591 1.00 44.02 H new ATOM 0 HG13 VAL A 54 -5.869 9.700 -2.216 1.00 44.02 H new ATOM 0 HG21 VAL A 54 -5.768 6.637 -2.810 1.00 53.24 H new ATOM 0 HG22 VAL A 54 -5.233 7.849 -3.999 1.00 53.24 H new ATOM 0 HG23 VAL A 54 -4.127 6.550 -3.493 1.00 53.24 H new ATOM 868 N PHE A 55 -1.866 9.179 -0.408 1.00 33.24 N ATOM 869 CA PHE A 55 -1.253 9.846 0.762 1.00 51.15 C ATOM 870 C PHE A 55 -0.201 10.878 0.316 1.00 74.22 C ATOM 871 O PHE A 55 -0.193 12.009 0.792 1.00 61.14 O ATOM 872 CB PHE A 55 -0.608 8.811 1.709 1.00 2.44 C ATOM 873 CG PHE A 55 -1.593 7.848 2.380 1.00 71.31 C ATOM 874 CD1 PHE A 55 -2.633 8.327 3.182 1.00 11.43 C ATOM 875 CD2 PHE A 55 -1.459 6.464 2.240 1.00 4.04 C ATOM 876 CE1 PHE A 55 -3.491 7.451 3.822 1.00 21.34 C ATOM 877 CE2 PHE A 55 -2.320 5.593 2.874 1.00 54.23 C ATOM 878 CZ PHE A 55 -3.335 6.085 3.662 1.00 74.42 C ATOM 0 H PHE A 55 -1.655 8.183 -0.470 1.00 33.24 H new ATOM 0 HA PHE A 55 -2.045 10.366 1.301 1.00 51.15 H new ATOM 0 HB2 PHE A 55 0.120 8.228 1.145 1.00 2.44 H new ATOM 0 HB3 PHE A 55 -0.058 9.343 2.485 1.00 2.44 H new ATOM 0 HD1 PHE A 55 -2.768 9.392 3.303 1.00 11.43 H new ATOM 0 HD2 PHE A 55 -0.666 6.069 1.623 1.00 4.04 H new ATOM 0 HE1 PHE A 55 -4.284 7.833 4.448 1.00 21.34 H new ATOM 0 HE2 PHE A 55 -2.198 4.527 2.752 1.00 54.23 H new ATOM 0 HZ PHE A 55 -4.011 5.404 4.157 1.00 74.42 H new ATOM 888 N TYR A 56 0.661 10.462 -0.622 1.00 55.13 N ATOM 889 CA TYR A 56 1.691 11.327 -1.234 1.00 23.50 C ATOM 890 C TYR A 56 1.071 12.562 -1.933 1.00 65.23 C ATOM 891 O TYR A 56 1.630 13.669 -1.891 1.00 62.12 O ATOM 892 CB TYR A 56 2.519 10.483 -2.244 1.00 32.50 C ATOM 893 CG TYR A 56 3.420 11.299 -3.163 1.00 40.50 C ATOM 894 CD1 TYR A 56 4.547 11.937 -2.663 1.00 4.02 C ATOM 895 CD2 TYR A 56 3.118 11.469 -4.519 1.00 64.35 C ATOM 896 CE1 TYR A 56 5.347 12.702 -3.471 1.00 4.03 C ATOM 897 CE2 TYR A 56 3.914 12.244 -5.330 1.00 3.30 C ATOM 898 CZ TYR A 56 5.031 12.861 -4.805 1.00 75.13 C ATOM 899 OH TYR A 56 5.821 13.654 -5.613 1.00 5.12 O ATOM 0 H TYR A 56 0.667 9.508 -0.984 1.00 55.13 H new ATOM 0 HA TYR A 56 2.340 11.707 -0.445 1.00 23.50 H new ATOM 0 HB2 TYR A 56 3.134 9.776 -1.688 1.00 32.50 H new ATOM 0 HB3 TYR A 56 1.833 9.897 -2.856 1.00 32.50 H new ATOM 0 HD1 TYR A 56 4.798 11.828 -1.618 1.00 4.02 H new ATOM 0 HD2 TYR A 56 2.247 10.984 -4.935 1.00 64.35 H new ATOM 0 HE1 TYR A 56 6.225 13.181 -3.064 1.00 4.03 H new ATOM 0 HE2 TYR A 56 3.666 12.369 -6.374 1.00 3.30 H new ATOM 0 HH TYR A 56 5.458 13.657 -6.523 1.00 5.12 H new ATOM 909 N LYS A 57 -0.082 12.343 -2.568 1.00 72.03 N ATOM 910 CA LYS A 57 -0.834 13.378 -3.299 1.00 63.54 C ATOM 911 C LYS A 57 -1.399 14.444 -2.324 1.00 4.52 C ATOM 912 O LYS A 57 -1.524 15.621 -2.675 1.00 41.12 O ATOM 913 CB LYS A 57 -1.976 12.702 -4.109 1.00 53.30 C ATOM 914 CG LYS A 57 -2.564 13.548 -5.251 1.00 71.32 C ATOM 915 CD LYS A 57 -1.543 13.831 -6.377 1.00 52.41 C ATOM 916 CE LYS A 57 -2.155 14.614 -7.545 1.00 72.42 C ATOM 917 NZ LYS A 57 -1.163 14.854 -8.629 1.00 64.10 N ATOM 0 H LYS A 57 -0.531 11.428 -2.592 1.00 72.03 H new ATOM 0 HA LYS A 57 -0.163 13.891 -3.988 1.00 63.54 H new ATOM 0 HB2 LYS A 57 -1.599 11.769 -4.528 1.00 53.30 H new ATOM 0 HB3 LYS A 57 -2.781 12.440 -3.422 1.00 53.30 H new ATOM 0 HG2 LYS A 57 -3.427 13.032 -5.671 1.00 71.32 H new ATOM 0 HG3 LYS A 57 -2.924 14.494 -4.847 1.00 71.32 H new ATOM 0 HD2 LYS A 57 -0.703 14.393 -5.968 1.00 52.41 H new ATOM 0 HD3 LYS A 57 -1.144 12.886 -6.747 1.00 52.41 H new ATOM 0 HE2 LYS A 57 -3.006 14.063 -7.946 1.00 72.42 H new ATOM 0 HE3 LYS A 57 -2.536 15.569 -7.183 1.00 72.42 H new ATOM 0 HZ1 LYS A 57 -1.614 15.386 -9.401 1.00 64.10 H new ATOM 0 HZ2 LYS A 57 -0.363 15.402 -8.252 1.00 64.10 H new ATOM 0 HZ3 LYS A 57 -0.818 13.942 -8.992 1.00 64.10 H new ATOM 931 N GLU A 58 -1.732 14.004 -1.098 1.00 22.24 N ATOM 932 CA GLU A 58 -2.141 14.899 0.009 1.00 55.12 C ATOM 933 C GLU A 58 -0.929 15.390 0.810 1.00 23.22 C ATOM 934 O GLU A 58 -1.066 16.266 1.671 1.00 1.10 O ATOM 935 CB GLU A 58 -3.130 14.154 0.939 1.00 24.43 C ATOM 936 CG GLU A 58 -4.451 13.778 0.256 1.00 53.22 C ATOM 937 CD GLU A 58 -5.214 14.994 -0.310 1.00 61.32 C ATOM 938 OE1 GLU A 58 -5.916 15.681 0.457 1.00 55.41 O ATOM 939 OE2 GLU A 58 -5.121 15.268 -1.522 1.00 52.32 O ATOM 0 H GLU A 58 -1.726 13.017 -0.842 1.00 22.24 H new ATOM 0 HA GLU A 58 -2.630 15.774 -0.420 1.00 55.12 H new ATOM 0 HB2 GLU A 58 -2.653 13.248 1.312 1.00 24.43 H new ATOM 0 HB3 GLU A 58 -3.344 14.781 1.805 1.00 24.43 H new ATOM 0 HG2 GLU A 58 -4.247 13.077 -0.554 1.00 53.22 H new ATOM 0 HG3 GLU A 58 -5.088 13.260 0.973 1.00 53.22 H new ATOM 946 N HIS A 59 0.242 14.795 0.513 1.00 75.11 N ATOM 947 CA HIS A 59 1.527 15.079 1.182 1.00 14.02 C ATOM 948 C HIS A 59 1.527 14.600 2.642 1.00 51.14 C ATOM 949 O HIS A 59 2.337 15.047 3.460 1.00 41.25 O ATOM 950 CB HIS A 59 1.930 16.575 1.042 1.00 41.12 C ATOM 951 CG HIS A 59 2.194 16.976 -0.381 1.00 13.50 C ATOM 952 ND1 HIS A 59 3.432 16.861 -0.972 1.00 33.12 N ATOM 953 CD2 HIS A 59 1.370 17.455 -1.339 1.00 14.02 C ATOM 954 CE1 HIS A 59 3.357 17.256 -2.225 1.00 2.43 C ATOM 955 NE2 HIS A 59 2.119 17.627 -2.471 1.00 61.51 N ATOM 0 H HIS A 59 0.323 14.086 -0.216 1.00 75.11 H new ATOM 0 HA HIS A 59 2.297 14.503 0.669 1.00 14.02 H new ATOM 0 HB2 HIS A 59 1.135 17.200 1.449 1.00 41.12 H new ATOM 0 HB3 HIS A 59 2.822 16.764 1.639 1.00 41.12 H new ATOM 0 HD1 HIS A 59 4.276 16.522 -0.510 1.00 33.12 H new ATOM 0 HD2 HIS A 59 0.316 17.663 -1.231 1.00 14.02 H new ATOM 0 HE1 HIS A 59 4.173 17.273 -2.932 1.00 2.43 H new ATOM 964 N ASP A 60 0.642 13.627 2.930 1.00 61.44 N ATOM 965 CA ASP A 60 0.516 12.997 4.248 1.00 42.23 C ATOM 966 C ASP A 60 1.636 11.958 4.399 1.00 34.51 C ATOM 967 O ASP A 60 1.527 10.818 3.922 1.00 60.41 O ATOM 968 CB ASP A 60 -0.886 12.340 4.403 1.00 51.22 C ATOM 969 CG ASP A 60 -1.158 11.835 5.837 1.00 41.51 C ATOM 970 OD1 ASP A 60 -1.601 12.647 6.690 1.00 41.34 O ATOM 971 OD2 ASP A 60 -0.938 10.636 6.122 1.00 4.30 O ATOM 0 H ASP A 60 -0.012 13.255 2.241 1.00 61.44 H new ATOM 0 HA ASP A 60 0.612 13.747 5.033 1.00 42.23 H new ATOM 0 HB2 ASP A 60 -1.653 13.063 4.126 1.00 51.22 H new ATOM 0 HB3 ASP A 60 -0.969 11.505 3.707 1.00 51.22 H new ATOM 976 N THR A 61 2.721 12.401 5.043 1.00 71.03 N ATOM 977 CA THR A 61 3.968 11.648 5.166 1.00 53.23 C ATOM 978 C THR A 61 3.786 10.322 5.911 1.00 31.32 C ATOM 979 O THR A 61 4.385 9.324 5.532 1.00 72.50 O ATOM 980 CB THR A 61 5.050 12.505 5.898 1.00 34.14 C ATOM 981 OG1 THR A 61 4.517 13.038 7.130 1.00 0.13 O ATOM 982 CG2 THR A 61 5.553 13.660 5.025 1.00 12.53 C ATOM 0 H THR A 61 2.755 13.312 5.502 1.00 71.03 H new ATOM 0 HA THR A 61 4.293 11.417 4.152 1.00 53.23 H new ATOM 0 HB THR A 61 5.892 11.846 6.110 1.00 34.14 H new ATOM 0 HG1 THR A 61 5.205 13.572 7.580 1.00 0.13 H new ATOM 0 HG21 THR A 61 6.304 14.230 5.573 1.00 12.53 H new ATOM 0 HG22 THR A 61 5.995 13.260 4.112 1.00 12.53 H new ATOM 0 HG23 THR A 61 4.718 14.312 4.768 1.00 12.53 H new ATOM 990 N ASP A 62 2.939 10.327 6.955 1.00 1.34 N ATOM 991 CA ASP A 62 2.771 9.162 7.844 1.00 75.24 C ATOM 992 C ASP A 62 2.022 8.029 7.141 1.00 63.24 C ATOM 993 O ASP A 62 2.368 6.865 7.323 1.00 15.45 O ATOM 994 CB ASP A 62 2.059 9.564 9.158 1.00 13.15 C ATOM 995 CG ASP A 62 2.922 10.482 10.044 1.00 25.33 C ATOM 996 OD1 ASP A 62 3.945 9.998 10.580 1.00 61.45 O ATOM 997 OD2 ASP A 62 2.598 11.680 10.192 1.00 73.13 O ATOM 0 H ASP A 62 2.358 11.127 7.205 1.00 1.34 H new ATOM 0 HA ASP A 62 3.765 8.795 8.098 1.00 75.24 H new ATOM 0 HB2 ASP A 62 1.124 10.070 8.920 1.00 13.15 H new ATOM 0 HB3 ASP A 62 1.801 8.664 9.717 1.00 13.15 H new ATOM 1002 N GLY A 63 1.017 8.379 6.329 1.00 53.00 N ATOM 1003 CA GLY A 63 0.270 7.382 5.568 1.00 45.12 C ATOM 1004 C GLY A 63 1.114 6.767 4.474 1.00 12.40 C ATOM 1005 O GLY A 63 1.105 5.552 4.283 1.00 42.14 O ATOM 0 H GLY A 63 0.707 9.340 6.185 1.00 53.00 H new ATOM 0 HA2 GLY A 63 -0.082 6.599 6.240 1.00 45.12 H new ATOM 0 HA3 GLY A 63 -0.613 7.846 5.129 1.00 45.12 H new ATOM 1009 N LEU A 64 1.846 7.640 3.765 1.00 62.20 N ATOM 1010 CA LEU A 64 2.817 7.253 2.725 1.00 31.43 C ATOM 1011 C LEU A 64 3.917 6.345 3.319 1.00 61.41 C ATOM 1012 O LEU A 64 4.338 5.381 2.695 1.00 53.42 O ATOM 1013 CB LEU A 64 3.420 8.547 2.113 1.00 54.15 C ATOM 1014 CG LEU A 64 4.601 8.398 1.101 1.00 15.54 C ATOM 1015 CD1 LEU A 64 4.210 7.602 -0.156 1.00 51.33 C ATOM 1016 CD2 LEU A 64 5.156 9.780 0.728 1.00 31.22 C ATOM 0 H LEU A 64 1.781 8.649 3.898 1.00 62.20 H new ATOM 0 HA LEU A 64 2.320 6.681 1.942 1.00 31.43 H new ATOM 0 HB2 LEU A 64 2.616 9.085 1.611 1.00 54.15 H new ATOM 0 HB3 LEU A 64 3.761 9.177 2.934 1.00 54.15 H new ATOM 0 HG LEU A 64 5.382 7.822 1.598 1.00 15.54 H new ATOM 0 HD11 LEU A 64 5.069 7.530 -0.823 1.00 51.33 H new ATOM 0 HD12 LEU A 64 3.890 6.601 0.132 1.00 51.33 H new ATOM 0 HD13 LEU A 64 3.394 8.110 -0.669 1.00 51.33 H new ATOM 0 HD21 LEU A 64 5.979 9.663 0.022 1.00 31.22 H new ATOM 0 HD22 LEU A 64 4.367 10.377 0.271 1.00 31.22 H new ATOM 0 HD23 LEU A 64 5.517 10.282 1.626 1.00 31.22 H new ATOM 1028 N ARG A 65 4.317 6.664 4.558 1.00 72.45 N ATOM 1029 CA ARG A 65 5.337 5.929 5.338 1.00 50.02 C ATOM 1030 C ARG A 65 4.848 4.516 5.678 1.00 30.12 C ATOM 1031 O ARG A 65 5.592 3.533 5.540 1.00 3.14 O ATOM 1032 CB ARG A 65 5.613 6.759 6.618 1.00 71.32 C ATOM 1033 CG ARG A 65 6.564 6.160 7.670 1.00 3.44 C ATOM 1034 CD ARG A 65 6.738 7.134 8.854 1.00 61.41 C ATOM 1035 NE ARG A 65 7.598 6.613 9.925 1.00 22.32 N ATOM 1036 CZ ARG A 65 7.756 7.196 11.130 1.00 45.10 C ATOM 1037 NH1 ARG A 65 7.109 8.327 11.438 1.00 75.33 N ATOM 1038 NH2 ARG A 65 8.547 6.631 12.031 1.00 32.01 N ATOM 0 H ARG A 65 3.933 7.462 5.064 1.00 72.45 H new ATOM 0 HA ARG A 65 6.255 5.807 4.763 1.00 50.02 H new ATOM 0 HB2 ARG A 65 6.018 7.723 6.311 1.00 71.32 H new ATOM 0 HB3 ARG A 65 4.657 6.954 7.103 1.00 71.32 H new ATOM 0 HG2 ARG A 65 6.168 5.209 8.028 1.00 3.44 H new ATOM 0 HG3 ARG A 65 7.533 5.952 7.217 1.00 3.44 H new ATOM 0 HD2 ARG A 65 7.159 8.069 8.485 1.00 61.41 H new ATOM 0 HD3 ARG A 65 5.757 7.367 9.269 1.00 61.41 H new ATOM 0 HE ARG A 65 8.111 5.750 9.744 1.00 22.32 H new ATOM 0 HH11 ARG A 65 6.486 8.760 10.756 1.00 75.33 H new ATOM 0 HH12 ARG A 65 7.239 8.756 12.354 1.00 75.33 H new ATOM 0 HH21 ARG A 65 9.031 5.761 11.810 1.00 32.01 H new ATOM 0 HH22 ARG A 65 8.671 7.066 12.945 1.00 32.01 H new ATOM 1052 N ARG A 66 3.573 4.436 6.097 1.00 12.14 N ATOM 1053 CA ARG A 66 2.916 3.164 6.429 1.00 44.21 C ATOM 1054 C ARG A 66 2.744 2.298 5.171 1.00 11.03 C ATOM 1055 O ARG A 66 3.005 1.101 5.207 1.00 54.12 O ATOM 1056 CB ARG A 66 1.542 3.415 7.110 1.00 23.41 C ATOM 1057 CG ARG A 66 1.616 4.041 8.519 1.00 24.02 C ATOM 1058 CD ARG A 66 2.395 3.166 9.518 1.00 62.34 C ATOM 1059 NE ARG A 66 2.383 3.740 10.871 1.00 73.10 N ATOM 1060 CZ ARG A 66 2.478 3.040 12.014 1.00 25.10 C ATOM 1061 NH1 ARG A 66 2.612 1.709 12.010 1.00 23.11 N ATOM 1062 NH2 ARG A 66 2.444 3.687 13.165 1.00 73.13 N ATOM 0 H ARG A 66 2.971 5.251 6.214 1.00 12.14 H new ATOM 0 HA ARG A 66 3.553 2.627 7.132 1.00 44.21 H new ATOM 0 HB2 ARG A 66 0.950 4.069 6.469 1.00 23.41 H new ATOM 0 HB3 ARG A 66 1.009 2.467 7.178 1.00 23.41 H new ATOM 0 HG2 ARG A 66 2.091 5.020 8.453 1.00 24.02 H new ATOM 0 HG3 ARG A 66 0.605 4.202 8.894 1.00 24.02 H new ATOM 0 HD2 ARG A 66 1.959 2.167 9.543 1.00 62.34 H new ATOM 0 HD3 ARG A 66 3.425 3.056 9.179 1.00 62.34 H new ATOM 0 HE ARG A 66 2.295 4.753 10.949 1.00 73.10 H new ATOM 0 HH11 ARG A 66 2.644 1.202 11.125 1.00 23.11 H new ATOM 0 HH12 ARG A 66 2.682 1.201 12.892 1.00 23.11 H new ATOM 0 HH21 ARG A 66 2.347 4.702 13.177 1.00 73.13 H new ATOM 0 HH22 ARG A 66 2.515 3.171 14.042 1.00 73.13 H new ATOM 1076 N ALA A 67 2.340 2.940 4.063 1.00 52.01 N ATOM 1077 CA ALA A 67 2.065 2.273 2.777 1.00 55.12 C ATOM 1078 C ALA A 67 3.366 1.814 2.097 1.00 3.43 C ATOM 1079 O ALA A 67 3.373 0.811 1.389 1.00 23.34 O ATOM 1080 CB ALA A 67 1.253 3.211 1.869 1.00 64.25 C ATOM 0 H ALA A 67 2.193 3.949 4.033 1.00 52.01 H new ATOM 0 HA ALA A 67 1.474 1.377 2.965 1.00 55.12 H new ATOM 0 HB1 ALA A 67 1.052 2.714 0.920 1.00 64.25 H new ATOM 0 HB2 ALA A 67 0.310 3.461 2.355 1.00 64.25 H new ATOM 0 HB3 ALA A 67 1.821 4.124 1.688 1.00 64.25 H new ATOM 1086 N ALA A 68 4.458 2.563 2.341 1.00 40.12 N ATOM 1087 CA ALA A 68 5.783 2.299 1.750 1.00 21.15 C ATOM 1088 C ALA A 68 6.429 1.045 2.340 1.00 64.34 C ATOM 1089 O ALA A 68 6.939 0.184 1.609 1.00 4.21 O ATOM 1090 CB ALA A 68 6.694 3.507 1.967 1.00 4.22 C ATOM 0 H ALA A 68 4.445 3.375 2.959 1.00 40.12 H new ATOM 0 HA ALA A 68 5.645 2.127 0.682 1.00 21.15 H new ATOM 0 HB1 ALA A 68 7.672 3.308 1.529 1.00 4.22 H new ATOM 0 HB2 ALA A 68 6.255 4.384 1.491 1.00 4.22 H new ATOM 0 HB3 ALA A 68 6.806 3.691 3.035 1.00 4.22 H new ATOM 1096 N LYS A 69 6.432 0.973 3.681 1.00 2.41 N ATOM 1097 CA LYS A 69 6.903 -0.217 4.408 1.00 40.54 C ATOM 1098 C LYS A 69 5.967 -1.411 4.166 1.00 0.43 C ATOM 1099 O LYS A 69 6.431 -2.521 3.903 1.00 71.45 O ATOM 1100 CB LYS A 69 7.077 0.070 5.928 1.00 41.44 C ATOM 1101 CG LYS A 69 8.450 0.666 6.318 1.00 72.24 C ATOM 1102 CD LYS A 69 8.751 2.031 5.659 1.00 30.11 C ATOM 1103 CE LYS A 69 10.201 2.485 5.894 1.00 15.44 C ATOM 1104 NZ LYS A 69 10.485 3.801 5.265 1.00 13.44 N ATOM 0 H LYS A 69 6.112 1.729 4.286 1.00 2.41 H new ATOM 0 HA LYS A 69 7.887 -0.477 4.017 1.00 40.54 H new ATOM 0 HB2 LYS A 69 6.294 0.758 6.246 1.00 41.44 H new ATOM 0 HB3 LYS A 69 6.929 -0.859 6.479 1.00 41.44 H new ATOM 0 HG2 LYS A 69 8.491 0.780 7.401 1.00 72.24 H new ATOM 0 HG3 LYS A 69 9.233 -0.040 6.042 1.00 72.24 H new ATOM 0 HD2 LYS A 69 8.563 1.964 4.587 1.00 30.11 H new ATOM 0 HD3 LYS A 69 8.068 2.782 6.056 1.00 30.11 H new ATOM 0 HE2 LYS A 69 10.391 2.547 6.965 1.00 15.44 H new ATOM 0 HE3 LYS A 69 10.884 1.737 5.492 1.00 15.44 H new ATOM 0 HZ1 LYS A 69 11.490 4.036 5.390 1.00 13.44 H new ATOM 0 HZ2 LYS A 69 10.264 3.755 4.250 1.00 13.44 H new ATOM 0 HZ3 LYS A 69 9.900 4.534 5.714 1.00 13.44 H new ATOM 1118 N SER A 70 4.649 -1.161 4.192 1.00 64.43 N ATOM 1119 CA SER A 70 3.637 -2.214 4.000 1.00 73.04 C ATOM 1120 C SER A 70 3.699 -2.792 2.573 1.00 3.44 C ATOM 1121 O SER A 70 3.346 -3.957 2.364 1.00 33.14 O ATOM 1122 CB SER A 70 2.230 -1.681 4.322 1.00 61.31 C ATOM 1123 OG SER A 70 1.300 -2.731 4.466 1.00 22.43 O ATOM 0 H SER A 70 4.256 -0.232 4.345 1.00 64.43 H new ATOM 0 HA SER A 70 3.858 -3.025 4.693 1.00 73.04 H new ATOM 0 HB2 SER A 70 2.263 -1.095 5.240 1.00 61.31 H new ATOM 0 HB3 SER A 70 1.903 -1.010 3.527 1.00 61.31 H new ATOM 0 HG SER A 70 0.666 -2.711 3.719 1.00 22.43 H new ATOM 1129 N LEU A 71 4.139 -1.957 1.602 1.00 44.54 N ATOM 1130 CA LEU A 71 4.302 -2.358 0.190 1.00 55.13 C ATOM 1131 C LEU A 71 5.297 -3.529 0.105 1.00 24.13 C ATOM 1132 O LEU A 71 4.964 -4.589 -0.422 1.00 73.44 O ATOM 1133 CB LEU A 71 4.771 -1.141 -0.678 1.00 24.53 C ATOM 1134 CG LEU A 71 4.130 -1.002 -2.098 1.00 61.44 C ATOM 1135 CD1 LEU A 71 4.535 0.324 -2.750 1.00 51.23 C ATOM 1136 CD2 LEU A 71 4.457 -2.191 -3.023 1.00 65.12 C ATOM 0 H LEU A 71 4.391 -0.985 1.779 1.00 44.54 H new ATOM 0 HA LEU A 71 3.343 -2.688 -0.208 1.00 55.13 H new ATOM 0 HB2 LEU A 71 4.566 -0.227 -0.121 1.00 24.53 H new ATOM 0 HB3 LEU A 71 5.852 -1.205 -0.798 1.00 24.53 H new ATOM 0 HG LEU A 71 3.050 -1.008 -1.954 1.00 61.44 H new ATOM 0 HD11 LEU A 71 4.078 0.399 -3.737 1.00 51.23 H new ATOM 0 HD12 LEU A 71 4.196 1.153 -2.129 1.00 51.23 H new ATOM 0 HD13 LEU A 71 5.620 0.364 -2.849 1.00 51.23 H new ATOM 0 HD21 LEU A 71 3.985 -2.038 -3.993 1.00 65.12 H new ATOM 0 HD22 LEU A 71 5.537 -2.265 -3.152 1.00 65.12 H new ATOM 0 HD23 LEU A 71 4.081 -3.112 -2.578 1.00 65.12 H new ATOM 1148 N LYS A 72 6.502 -3.334 0.689 1.00 33.44 N ATOM 1149 CA LYS A 72 7.567 -4.362 0.685 1.00 2.23 C ATOM 1150 C LYS A 72 7.219 -5.559 1.597 1.00 31.04 C ATOM 1151 O LYS A 72 7.711 -6.665 1.373 1.00 14.31 O ATOM 1152 CB LYS A 72 8.976 -3.741 0.970 1.00 50.22 C ATOM 1153 CG LYS A 72 9.172 -2.978 2.301 1.00 60.43 C ATOM 1154 CD LYS A 72 9.339 -3.891 3.535 1.00 30.12 C ATOM 1155 CE LYS A 72 9.606 -3.107 4.829 1.00 24.33 C ATOM 1156 NZ LYS A 72 10.896 -2.363 4.785 1.00 62.13 N ATOM 0 H LYS A 72 6.761 -2.472 1.170 1.00 33.44 H new ATOM 0 HA LYS A 72 7.626 -4.773 -0.323 1.00 2.23 H new ATOM 0 HB2 LYS A 72 9.710 -4.546 0.934 1.00 50.22 H new ATOM 0 HB3 LYS A 72 9.212 -3.058 0.154 1.00 50.22 H new ATOM 0 HG2 LYS A 72 10.051 -2.339 2.214 1.00 60.43 H new ATOM 0 HG3 LYS A 72 8.316 -2.323 2.461 1.00 60.43 H new ATOM 0 HD2 LYS A 72 8.438 -4.492 3.660 1.00 30.12 H new ATOM 0 HD3 LYS A 72 10.162 -4.583 3.359 1.00 30.12 H new ATOM 0 HE2 LYS A 72 8.790 -2.405 5.000 1.00 24.33 H new ATOM 0 HE3 LYS A 72 9.616 -3.796 5.673 1.00 24.33 H new ATOM 0 HZ1 LYS A 72 11.098 -1.962 5.723 1.00 62.13 H new ATOM 0 HZ2 LYS A 72 11.662 -3.012 4.514 1.00 62.13 H new ATOM 0 HZ3 LYS A 72 10.830 -1.595 4.087 1.00 62.13 H new ATOM 1170 N GLU A 73 6.393 -5.315 2.642 1.00 22.13 N ATOM 1171 CA GLU A 73 5.856 -6.380 3.528 1.00 43.14 C ATOM 1172 C GLU A 73 4.922 -7.330 2.757 1.00 54.55 C ATOM 1173 O GLU A 73 4.864 -8.532 3.053 1.00 72.21 O ATOM 1174 CB GLU A 73 5.109 -5.768 4.742 1.00 64.52 C ATOM 1175 CG GLU A 73 6.027 -5.061 5.759 1.00 63.24 C ATOM 1176 CD GLU A 73 5.260 -4.404 6.920 1.00 71.11 C ATOM 1177 OE1 GLU A 73 4.670 -5.140 7.740 1.00 74.34 O ATOM 1178 OE2 GLU A 73 5.223 -3.155 7.007 1.00 22.50 O ATOM 0 H GLU A 73 6.080 -4.378 2.896 1.00 22.13 H new ATOM 0 HA GLU A 73 6.705 -6.957 3.895 1.00 43.14 H new ATOM 0 HB2 GLU A 73 4.371 -5.053 4.377 1.00 64.52 H new ATOM 0 HB3 GLU A 73 4.561 -6.559 5.253 1.00 64.52 H new ATOM 0 HG2 GLU A 73 6.734 -5.785 6.164 1.00 63.24 H new ATOM 0 HG3 GLU A 73 6.611 -4.300 5.242 1.00 63.24 H new ATOM 1185 N ALA A 74 4.191 -6.776 1.778 1.00 65.32 N ATOM 1186 CA ALA A 74 3.392 -7.574 0.845 1.00 62.41 C ATOM 1187 C ALA A 74 4.323 -8.352 -0.103 1.00 73.32 C ATOM 1188 O ALA A 74 4.179 -9.555 -0.266 1.00 63.41 O ATOM 1189 CB ALA A 74 2.424 -6.679 0.061 1.00 34.33 C ATOM 0 H ALA A 74 4.139 -5.771 1.614 1.00 65.32 H new ATOM 0 HA ALA A 74 2.795 -8.291 1.409 1.00 62.41 H new ATOM 0 HB1 ALA A 74 1.839 -7.290 -0.627 1.00 34.33 H new ATOM 0 HB2 ALA A 74 1.754 -6.172 0.755 1.00 34.33 H new ATOM 0 HB3 ALA A 74 2.990 -5.938 -0.504 1.00 34.33 H new ATOM 1195 N ILE A 75 5.322 -7.642 -0.661 1.00 61.23 N ATOM 1196 CA ILE A 75 6.252 -8.175 -1.679 1.00 72.24 C ATOM 1197 C ILE A 75 7.077 -9.383 -1.189 1.00 40.41 C ATOM 1198 O ILE A 75 7.214 -10.390 -1.907 1.00 21.41 O ATOM 1199 CB ILE A 75 7.197 -7.042 -2.185 1.00 64.13 C ATOM 1200 CG1 ILE A 75 6.374 -5.914 -2.873 1.00 61.03 C ATOM 1201 CG2 ILE A 75 8.274 -7.591 -3.137 1.00 12.12 C ATOM 1202 CD1 ILE A 75 7.138 -4.624 -3.055 1.00 54.25 C ATOM 0 H ILE A 75 5.510 -6.670 -0.415 1.00 61.23 H new ATOM 0 HA ILE A 75 5.636 -8.541 -2.500 1.00 72.24 H new ATOM 0 HB ILE A 75 7.708 -6.620 -1.319 1.00 64.13 H new ATOM 0 HG12 ILE A 75 6.037 -6.266 -3.848 1.00 61.03 H new ATOM 0 HG13 ILE A 75 5.481 -5.716 -2.280 1.00 61.03 H new ATOM 0 HG21 ILE A 75 8.915 -6.775 -3.471 1.00 12.12 H new ATOM 0 HG22 ILE A 75 8.876 -8.335 -2.615 1.00 12.12 H new ATOM 0 HG23 ILE A 75 7.795 -8.052 -4.001 1.00 12.12 H new ATOM 0 HD11 ILE A 75 6.498 -3.887 -3.541 1.00 54.25 H new ATOM 0 HD12 ILE A 75 7.452 -4.247 -2.082 1.00 54.25 H new ATOM 0 HD13 ILE A 75 8.017 -4.806 -3.674 1.00 54.25 H new ATOM 1214 N THR A 76 7.607 -9.282 0.034 1.00 25.30 N ATOM 1215 CA THR A 76 8.411 -10.357 0.637 1.00 32.22 C ATOM 1216 C THR A 76 7.518 -11.570 0.977 1.00 74.43 C ATOM 1217 O THR A 76 8.012 -12.688 1.150 1.00 64.12 O ATOM 1218 CB THR A 76 9.174 -9.851 1.906 1.00 0.21 C ATOM 1219 OG1 THR A 76 10.080 -10.860 2.387 1.00 45.34 O ATOM 1220 CG2 THR A 76 8.215 -9.438 3.038 1.00 72.21 C ATOM 0 H THR A 76 7.494 -8.463 0.631 1.00 25.30 H new ATOM 0 HA THR A 76 9.158 -10.672 -0.092 1.00 32.22 H new ATOM 0 HB THR A 76 9.736 -8.967 1.604 1.00 0.21 H new ATOM 0 HG1 THR A 76 10.550 -10.527 3.180 1.00 45.34 H new ATOM 0 HG21 THR A 76 8.792 -9.094 3.896 1.00 72.21 H new ATOM 0 HG22 THR A 76 7.567 -8.633 2.691 1.00 72.21 H new ATOM 0 HG23 THR A 76 7.606 -10.294 3.329 1.00 72.21 H new ATOM 1228 N ALA A 77 6.195 -11.323 1.065 1.00 71.40 N ATOM 1229 CA ALA A 77 5.182 -12.355 1.332 1.00 21.13 C ATOM 1230 C ALA A 77 4.532 -12.888 0.032 1.00 14.24 C ATOM 1231 O ALA A 77 3.798 -13.887 0.081 1.00 63.54 O ATOM 1232 CB ALA A 77 4.122 -11.792 2.293 1.00 62.14 C ATOM 0 H ALA A 77 5.799 -10.390 0.951 1.00 71.40 H new ATOM 0 HA ALA A 77 5.677 -13.207 1.798 1.00 21.13 H new ATOM 0 HB1 ALA A 77 3.370 -12.555 2.493 1.00 62.14 H new ATOM 0 HB2 ALA A 77 4.598 -11.499 3.229 1.00 62.14 H new ATOM 0 HB3 ALA A 77 3.645 -10.923 1.840 1.00 62.14 H new ATOM 1238 N ILE A 78 4.774 -12.210 -1.124 1.00 55.25 N ATOM 1239 CA ILE A 78 4.298 -12.688 -2.450 1.00 4.31 C ATOM 1240 C ILE A 78 5.003 -14.027 -2.780 1.00 31.40 C ATOM 1241 O ILE A 78 6.225 -14.124 -2.602 1.00 70.52 O ATOM 1242 CB ILE A 78 4.568 -11.650 -3.637 1.00 63.42 C ATOM 1243 CG1 ILE A 78 3.884 -10.278 -3.389 1.00 21.42 C ATOM 1244 CG2 ILE A 78 4.097 -12.212 -5.005 1.00 1.42 C ATOM 1245 CD1 ILE A 78 4.150 -9.215 -4.461 1.00 11.42 C ATOM 0 H ILE A 78 5.294 -11.334 -1.163 1.00 55.25 H new ATOM 0 HA ILE A 78 3.217 -12.809 -2.377 1.00 4.31 H new ATOM 0 HB ILE A 78 5.647 -11.499 -3.661 1.00 63.42 H new ATOM 0 HG12 ILE A 78 2.808 -10.434 -3.314 1.00 21.42 H new ATOM 0 HG13 ILE A 78 4.218 -9.892 -2.426 1.00 21.42 H new ATOM 0 HG21 ILE A 78 4.296 -11.480 -5.787 1.00 1.42 H new ATOM 0 HG22 ILE A 78 4.636 -13.134 -5.225 1.00 1.42 H new ATOM 0 HG23 ILE A 78 3.027 -12.418 -4.965 1.00 1.42 H new ATOM 0 HD11 ILE A 78 3.630 -8.294 -4.197 1.00 11.42 H new ATOM 0 HD12 ILE A 78 5.221 -9.022 -4.524 1.00 11.42 H new ATOM 0 HD13 ILE A 78 3.789 -9.572 -5.425 1.00 11.42 H new ATOM 1257 N PRO A 79 4.258 -15.090 -3.245 1.00 65.11 N ATOM 1258 CA PRO A 79 4.883 -16.352 -3.733 1.00 60.44 C ATOM 1259 C PRO A 79 5.702 -16.127 -5.029 1.00 23.13 C ATOM 1260 O PRO A 79 6.075 -14.997 -5.352 1.00 4.20 O ATOM 1261 CB PRO A 79 3.656 -17.286 -3.963 1.00 13.34 C ATOM 1262 CG PRO A 79 2.514 -16.356 -4.213 1.00 31.04 C ATOM 1263 CD PRO A 79 2.770 -15.164 -3.314 1.00 3.43 C ATOM 0 HA PRO A 79 5.606 -16.771 -3.033 1.00 60.44 H new ATOM 0 HB2 PRO A 79 3.818 -17.951 -4.811 1.00 13.34 H new ATOM 0 HB3 PRO A 79 3.470 -17.917 -3.094 1.00 13.34 H new ATOM 0 HG2 PRO A 79 2.471 -16.057 -5.260 1.00 31.04 H new ATOM 0 HG3 PRO A 79 1.561 -16.830 -3.977 1.00 31.04 H new ATOM 0 HD2 PRO A 79 2.342 -14.251 -3.727 1.00 3.43 H new ATOM 0 HD3 PRO A 79 2.329 -15.304 -2.327 1.00 3.43 H new ATOM 1271 N GLU A 80 6.000 -17.217 -5.751 1.00 21.43 N ATOM 1272 CA GLU A 80 6.782 -17.173 -7.008 1.00 32.31 C ATOM 1273 C GLU A 80 6.087 -16.275 -8.058 1.00 44.12 C ATOM 1274 O GLU A 80 6.738 -15.426 -8.680 1.00 65.50 O ATOM 1275 CB GLU A 80 6.996 -18.614 -7.542 1.00 53.13 C ATOM 1276 CG GLU A 80 7.766 -19.543 -6.574 1.00 62.04 C ATOM 1277 CD GLU A 80 7.846 -20.998 -7.064 1.00 52.23 C ATOM 1278 OE1 GLU A 80 6.886 -21.763 -6.828 1.00 31.34 O ATOM 1279 OE2 GLU A 80 8.862 -21.388 -7.684 1.00 71.31 O ATOM 0 H GLU A 80 5.708 -18.157 -5.485 1.00 21.43 H new ATOM 0 HA GLU A 80 7.759 -16.733 -6.805 1.00 32.31 H new ATOM 0 HB2 GLU A 80 6.024 -19.058 -7.757 1.00 53.13 H new ATOM 0 HB3 GLU A 80 7.538 -18.562 -8.486 1.00 53.13 H new ATOM 0 HG2 GLU A 80 8.776 -19.157 -6.437 1.00 62.04 H new ATOM 0 HG3 GLU A 80 7.281 -19.522 -5.598 1.00 62.04 H new ATOM 1286 N GLU A 81 4.759 -16.489 -8.229 1.00 53.13 N ATOM 1287 CA GLU A 81 3.857 -15.585 -8.984 1.00 52.24 C ATOM 1288 C GLU A 81 4.271 -15.404 -10.466 1.00 34.43 C ATOM 1289 O GLU A 81 5.104 -16.143 -10.995 1.00 12.21 O ATOM 1290 CB GLU A 81 3.730 -14.192 -8.249 1.00 43.15 C ATOM 1291 CG GLU A 81 2.356 -13.936 -7.595 1.00 50.32 C ATOM 1292 CD GLU A 81 1.200 -13.836 -8.609 1.00 3.02 C ATOM 1293 OE1 GLU A 81 1.339 -13.102 -9.612 1.00 12.43 O ATOM 1294 OE2 GLU A 81 0.145 -14.462 -8.391 1.00 3.21 O ATOM 0 H GLU A 81 4.280 -17.302 -7.843 1.00 53.13 H new ATOM 0 HA GLU A 81 2.878 -16.064 -9.006 1.00 52.24 H new ATOM 0 HB2 GLU A 81 4.501 -14.129 -7.481 1.00 43.15 H new ATOM 0 HB3 GLU A 81 3.930 -13.397 -8.967 1.00 43.15 H new ATOM 0 HG2 GLU A 81 2.142 -14.740 -6.891 1.00 50.32 H new ATOM 0 HG3 GLU A 81 2.404 -13.012 -7.019 1.00 50.32 H new ATOM 1301 N GLU A 82 3.609 -14.444 -11.125 1.00 51.42 N ATOM 1302 CA GLU A 82 3.970 -13.950 -12.465 1.00 54.24 C ATOM 1303 C GLU A 82 4.524 -12.513 -12.342 1.00 50.42 C ATOM 1304 O GLU A 82 5.494 -12.145 -13.021 1.00 24.34 O ATOM 1305 CB GLU A 82 2.720 -13.975 -13.394 1.00 61.30 C ATOM 1306 CG GLU A 82 2.977 -13.510 -14.845 1.00 4.24 C ATOM 1307 CD GLU A 82 1.702 -13.493 -15.706 1.00 64.41 C ATOM 1308 OE1 GLU A 82 0.954 -12.493 -15.650 1.00 32.43 O ATOM 1309 OE2 GLU A 82 1.427 -14.479 -16.422 1.00 1.53 O ATOM 0 H GLU A 82 2.790 -13.978 -10.735 1.00 51.42 H new ATOM 0 HA GLU A 82 4.735 -14.592 -12.901 1.00 54.24 H new ATOM 0 HB2 GLU A 82 2.324 -14.990 -13.418 1.00 61.30 H new ATOM 0 HB3 GLU A 82 1.948 -13.342 -12.957 1.00 61.30 H new ATOM 0 HG2 GLU A 82 3.411 -12.510 -14.829 1.00 4.24 H new ATOM 0 HG3 GLU A 82 3.712 -14.169 -15.307 1.00 4.24 H new ATOM 1316 N GLY A 83 3.903 -11.712 -11.448 1.00 62.53 N ATOM 1317 CA GLY A 83 4.244 -10.300 -11.273 1.00 74.11 C ATOM 1318 C GLY A 83 4.922 -10.001 -9.940 1.00 22.43 C ATOM 1319 O GLY A 83 4.575 -9.019 -9.270 1.00 44.45 O ATOM 0 H GLY A 83 3.155 -12.034 -10.834 1.00 62.53 H new ATOM 0 HA2 GLY A 83 4.902 -9.990 -12.085 1.00 74.11 H new ATOM 0 HA3 GLY A 83 3.336 -9.702 -11.353 1.00 74.11 H new ATOM 1323 N ARG A 84 5.907 -10.829 -9.560 1.00 54.20 N ATOM 1324 CA ARG A 84 6.640 -10.673 -8.287 1.00 63.14 C ATOM 1325 C ARG A 84 7.638 -9.488 -8.393 1.00 54.14 C ATOM 1326 O ARG A 84 7.688 -8.612 -7.520 1.00 34.22 O ATOM 1327 CB ARG A 84 7.390 -12.011 -7.940 1.00 65.52 C ATOM 1328 CG ARG A 84 7.409 -12.399 -6.446 1.00 21.12 C ATOM 1329 CD ARG A 84 8.087 -11.377 -5.521 1.00 2.11 C ATOM 1330 NE ARG A 84 9.530 -11.290 -5.777 1.00 14.14 N ATOM 1331 CZ ARG A 84 10.433 -10.760 -4.939 1.00 52.40 C ATOM 1332 NH1 ARG A 84 10.058 -10.240 -3.768 1.00 53.23 N ATOM 1333 NH2 ARG A 84 11.718 -10.786 -5.259 1.00 65.23 N ATOM 0 H ARG A 84 6.219 -11.622 -10.120 1.00 54.20 H new ATOM 0 HA ARG A 84 5.935 -10.454 -7.485 1.00 63.14 H new ATOM 0 HB2 ARG A 84 6.926 -12.822 -8.501 1.00 65.52 H new ATOM 0 HB3 ARG A 84 8.420 -11.930 -8.289 1.00 65.52 H new ATOM 0 HG2 ARG A 84 6.382 -12.546 -6.111 1.00 21.12 H new ATOM 0 HG3 ARG A 84 7.919 -13.357 -6.341 1.00 21.12 H new ATOM 0 HD2 ARG A 84 7.632 -10.397 -5.665 1.00 2.11 H new ATOM 0 HD3 ARG A 84 7.918 -11.658 -4.481 1.00 2.11 H new ATOM 0 HE ARG A 84 9.873 -11.662 -6.663 1.00 14.14 H new ATOM 0 HH11 ARG A 84 9.074 -10.242 -3.501 1.00 53.23 H new ATOM 0 HH12 ARG A 84 10.756 -9.840 -3.141 1.00 53.23 H new ATOM 0 HH21 ARG A 84 12.016 -11.208 -6.139 1.00 65.23 H new ATOM 0 HH22 ARG A 84 12.409 -10.384 -4.626 1.00 65.23 H new ATOM 1347 N LYS A 85 8.392 -9.487 -9.503 1.00 15.22 N ATOM 1348 CA LYS A 85 9.510 -8.553 -9.761 1.00 0.41 C ATOM 1349 C LYS A 85 9.022 -7.108 -9.999 1.00 2.00 C ATOM 1350 O LYS A 85 9.619 -6.157 -9.478 1.00 15.11 O ATOM 1351 CB LYS A 85 10.318 -9.080 -10.980 1.00 72.22 C ATOM 1352 CG LYS A 85 11.529 -8.221 -11.420 1.00 15.23 C ATOM 1353 CD LYS A 85 12.182 -8.760 -12.722 1.00 45.04 C ATOM 1354 CE LYS A 85 11.211 -8.743 -13.918 1.00 2.05 C ATOM 1355 NZ LYS A 85 11.773 -9.424 -15.119 1.00 35.43 N ATOM 0 H LYS A 85 8.242 -10.148 -10.265 1.00 15.22 H new ATOM 0 HA LYS A 85 10.148 -8.513 -8.878 1.00 0.41 H new ATOM 0 HB2 LYS A 85 10.676 -10.083 -10.746 1.00 72.22 H new ATOM 0 HB3 LYS A 85 9.638 -9.174 -11.827 1.00 72.22 H new ATOM 0 HG2 LYS A 85 11.206 -7.192 -11.576 1.00 15.23 H new ATOM 0 HG3 LYS A 85 12.271 -8.205 -10.622 1.00 15.23 H new ATOM 0 HD2 LYS A 85 13.059 -8.158 -12.961 1.00 45.04 H new ATOM 0 HD3 LYS A 85 12.531 -9.779 -12.555 1.00 45.04 H new ATOM 0 HE2 LYS A 85 10.278 -9.229 -13.632 1.00 2.05 H new ATOM 0 HE3 LYS A 85 10.968 -7.711 -14.170 1.00 2.05 H new ATOM 0 HZ1 LYS A 85 11.082 -9.385 -15.895 1.00 35.43 H new ATOM 0 HZ2 LYS A 85 12.649 -8.946 -15.411 1.00 35.43 H new ATOM 0 HZ3 LYS A 85 11.981 -10.417 -14.890 1.00 35.43 H new ATOM 1369 N GLU A 86 7.929 -6.959 -10.775 1.00 24.42 N ATOM 1370 CA GLU A 86 7.334 -5.635 -11.084 1.00 53.53 C ATOM 1371 C GLU A 86 6.746 -4.995 -9.815 1.00 12.11 C ATOM 1372 O GLU A 86 6.838 -3.776 -9.622 1.00 72.22 O ATOM 1373 CB GLU A 86 6.237 -5.752 -12.182 1.00 4.43 C ATOM 1374 CG GLU A 86 5.055 -6.679 -11.824 1.00 41.30 C ATOM 1375 CD GLU A 86 3.869 -6.575 -12.796 1.00 13.31 C ATOM 1376 OE1 GLU A 86 3.006 -5.690 -12.593 1.00 64.45 O ATOM 1377 OE2 GLU A 86 3.792 -7.365 -13.756 1.00 13.14 O ATOM 0 H GLU A 86 7.435 -7.742 -11.203 1.00 24.42 H new ATOM 0 HA GLU A 86 8.130 -4.995 -11.464 1.00 53.53 H new ATOM 0 HB2 GLU A 86 5.848 -4.756 -12.394 1.00 4.43 H new ATOM 0 HB3 GLU A 86 6.699 -6.115 -13.100 1.00 4.43 H new ATOM 0 HG2 GLU A 86 5.407 -7.710 -11.804 1.00 41.30 H new ATOM 0 HG3 GLU A 86 4.710 -6.441 -10.818 1.00 41.30 H new ATOM 1384 N ALA A 87 6.157 -5.845 -8.951 1.00 11.12 N ATOM 1385 CA ALA A 87 5.628 -5.422 -7.652 1.00 43.52 C ATOM 1386 C ALA A 87 6.767 -4.988 -6.720 1.00 34.01 C ATOM 1387 O ALA A 87 6.640 -3.982 -6.016 1.00 4.22 O ATOM 1388 CB ALA A 87 4.780 -6.534 -7.026 1.00 22.25 C ATOM 0 H ALA A 87 6.038 -6.840 -9.139 1.00 11.12 H new ATOM 0 HA ALA A 87 4.980 -4.559 -7.804 1.00 43.52 H new ATOM 0 HB1 ALA A 87 4.396 -6.200 -6.062 1.00 22.25 H new ATOM 0 HB2 ALA A 87 3.946 -6.771 -7.686 1.00 22.25 H new ATOM 0 HB3 ALA A 87 5.394 -7.423 -6.884 1.00 22.25 H new ATOM 1394 N LYS A 88 7.896 -5.736 -6.770 1.00 15.23 N ATOM 1395 CA LYS A 88 9.110 -5.457 -5.968 1.00 33.12 C ATOM 1396 C LYS A 88 9.687 -4.070 -6.340 1.00 10.00 C ATOM 1397 O LYS A 88 10.158 -3.320 -5.478 1.00 45.13 O ATOM 1398 CB LYS A 88 10.161 -6.601 -6.180 1.00 22.33 C ATOM 1399 CG LYS A 88 11.231 -6.781 -5.063 1.00 61.24 C ATOM 1400 CD LYS A 88 12.351 -5.718 -5.048 1.00 52.43 C ATOM 1401 CE LYS A 88 13.294 -5.891 -3.848 1.00 12.45 C ATOM 1402 NZ LYS A 88 14.358 -4.855 -3.811 1.00 51.51 N ATOM 0 H LYS A 88 7.989 -6.554 -7.372 1.00 15.23 H new ATOM 0 HA LYS A 88 8.852 -5.432 -4.909 1.00 33.12 H new ATOM 0 HB2 LYS A 88 9.622 -7.542 -6.291 1.00 22.33 H new ATOM 0 HB3 LYS A 88 10.679 -6.418 -7.121 1.00 22.33 H new ATOM 0 HG2 LYS A 88 10.729 -6.770 -4.096 1.00 61.24 H new ATOM 0 HG3 LYS A 88 11.687 -7.765 -5.174 1.00 61.24 H new ATOM 0 HD2 LYS A 88 12.925 -5.783 -5.972 1.00 52.43 H new ATOM 0 HD3 LYS A 88 11.906 -4.723 -5.019 1.00 52.43 H new ATOM 0 HE2 LYS A 88 12.715 -5.847 -2.925 1.00 12.45 H new ATOM 0 HE3 LYS A 88 13.753 -6.879 -3.890 1.00 12.45 H new ATOM 0 HZ1 LYS A 88 14.968 -5.014 -2.984 1.00 51.51 H new ATOM 0 HZ2 LYS A 88 14.929 -4.912 -4.679 1.00 51.51 H new ATOM 0 HZ3 LYS A 88 13.923 -3.913 -3.744 1.00 51.51 H new ATOM 1416 N GLU A 89 9.600 -3.750 -7.640 1.00 63.33 N ATOM 1417 CA GLU A 89 10.117 -2.500 -8.229 1.00 20.32 C ATOM 1418 C GLU A 89 9.315 -1.269 -7.718 1.00 14.13 C ATOM 1419 O GLU A 89 9.867 -0.170 -7.575 1.00 15.24 O ATOM 1420 CB GLU A 89 10.077 -2.653 -9.784 1.00 32.34 C ATOM 1421 CG GLU A 89 10.946 -1.669 -10.607 1.00 51.43 C ATOM 1422 CD GLU A 89 10.372 -0.249 -10.754 1.00 5.41 C ATOM 1423 OE1 GLU A 89 9.273 -0.107 -11.313 1.00 25.00 O ATOM 1424 OE2 GLU A 89 11.044 0.726 -10.362 1.00 21.24 O ATOM 0 H GLU A 89 9.160 -4.363 -8.327 1.00 63.33 H new ATOM 0 HA GLU A 89 11.147 -2.322 -7.920 1.00 20.32 H new ATOM 0 HB2 GLU A 89 10.386 -3.668 -10.033 1.00 32.34 H new ATOM 0 HB3 GLU A 89 9.042 -2.545 -10.109 1.00 32.34 H new ATOM 0 HG2 GLU A 89 11.928 -1.599 -10.140 1.00 51.43 H new ATOM 0 HG3 GLU A 89 11.096 -2.087 -11.602 1.00 51.43 H new ATOM 1431 N MET A 90 8.026 -1.488 -7.405 1.00 62.24 N ATOM 1432 CA MET A 90 7.112 -0.437 -6.904 1.00 14.24 C ATOM 1433 C MET A 90 7.487 0.063 -5.499 1.00 5.23 C ATOM 1434 O MET A 90 7.245 1.233 -5.179 1.00 0.21 O ATOM 1435 CB MET A 90 5.660 -0.942 -6.878 1.00 5.50 C ATOM 1436 CG MET A 90 5.081 -1.352 -8.238 1.00 1.42 C ATOM 1437 SD MET A 90 3.295 -1.608 -8.170 1.00 34.22 S ATOM 1438 CE MET A 90 3.143 -2.700 -6.756 1.00 32.14 C ATOM 0 H MET A 90 7.583 -2.403 -7.492 1.00 62.24 H new ATOM 0 HA MET A 90 7.209 0.398 -7.597 1.00 14.24 H new ATOM 0 HB2 MET A 90 5.603 -1.798 -6.205 1.00 5.50 H new ATOM 0 HB3 MET A 90 5.029 -0.161 -6.454 1.00 5.50 H new ATOM 0 HG2 MET A 90 5.308 -0.581 -8.975 1.00 1.42 H new ATOM 0 HG3 MET A 90 5.565 -2.268 -8.576 1.00 1.42 H new ATOM 0 HE1 MET A 90 2.417 -3.482 -6.977 1.00 32.14 H new ATOM 0 HE2 MET A 90 4.111 -3.153 -6.541 1.00 32.14 H new ATOM 0 HE3 MET A 90 2.809 -2.129 -5.890 1.00 32.14 H new ATOM 1448 N ALA A 91 8.040 -0.842 -4.658 1.00 75.43 N ATOM 1449 CA ALA A 91 8.459 -0.510 -3.274 1.00 60.13 C ATOM 1450 C ALA A 91 9.411 0.698 -3.242 1.00 65.52 C ATOM 1451 O ALA A 91 9.368 1.506 -2.311 1.00 71.30 O ATOM 1452 CB ALA A 91 9.132 -1.717 -2.606 1.00 51.13 C ATOM 0 H ALA A 91 8.208 -1.815 -4.916 1.00 75.43 H new ATOM 0 HA ALA A 91 7.558 -0.248 -2.719 1.00 60.13 H new ATOM 0 HB1 ALA A 91 9.431 -1.452 -1.592 1.00 51.13 H new ATOM 0 HB2 ALA A 91 8.431 -2.551 -2.571 1.00 51.13 H new ATOM 0 HB3 ALA A 91 10.012 -2.007 -3.180 1.00 51.13 H new ATOM 1458 N LYS A 92 10.241 0.822 -4.301 1.00 25.41 N ATOM 1459 CA LYS A 92 11.218 1.914 -4.440 1.00 63.53 C ATOM 1460 C LYS A 92 10.505 3.276 -4.587 1.00 64.31 C ATOM 1461 O LYS A 92 10.951 4.262 -4.003 1.00 14.25 O ATOM 1462 CB LYS A 92 12.172 1.695 -5.648 1.00 60.30 C ATOM 1463 CG LYS A 92 13.175 0.519 -5.532 1.00 63.33 C ATOM 1464 CD LYS A 92 12.526 -0.876 -5.676 1.00 23.05 C ATOM 1465 CE LYS A 92 13.562 -2.004 -5.801 1.00 72.01 C ATOM 1466 NZ LYS A 92 14.442 -1.837 -6.992 1.00 50.42 N ATOM 0 H LYS A 92 10.249 0.165 -5.081 1.00 25.41 H new ATOM 0 HA LYS A 92 11.817 1.915 -3.530 1.00 63.53 H new ATOM 0 HB2 LYS A 92 11.564 1.538 -6.539 1.00 60.30 H new ATOM 0 HB3 LYS A 92 12.739 2.613 -5.806 1.00 60.30 H new ATOM 0 HG2 LYS A 92 13.942 0.632 -6.298 1.00 63.33 H new ATOM 0 HG3 LYS A 92 13.677 0.577 -4.566 1.00 63.33 H new ATOM 0 HD2 LYS A 92 11.890 -1.067 -4.812 1.00 23.05 H new ATOM 0 HD3 LYS A 92 11.880 -0.883 -6.554 1.00 23.05 H new ATOM 0 HE2 LYS A 92 14.175 -2.032 -4.900 1.00 72.01 H new ATOM 0 HE3 LYS A 92 13.046 -2.962 -5.865 1.00 72.01 H new ATOM 0 HZ1 LYS A 92 14.931 -2.733 -7.191 1.00 50.42 H new ATOM 0 HZ2 LYS A 92 13.866 -1.567 -7.814 1.00 50.42 H new ATOM 0 HZ3 LYS A 92 15.145 -1.094 -6.803 1.00 50.42 H new ATOM 1480 N LYS A 93 9.383 3.298 -5.352 1.00 21.31 N ATOM 1481 CA LYS A 93 8.604 4.537 -5.615 1.00 32.12 C ATOM 1482 C LYS A 93 8.090 5.160 -4.314 1.00 13.13 C ATOM 1483 O LYS A 93 8.336 6.335 -4.054 1.00 64.23 O ATOM 1484 CB LYS A 93 7.397 4.244 -6.551 1.00 74.11 C ATOM 1485 CG LYS A 93 7.750 4.029 -8.033 1.00 11.42 C ATOM 1486 CD LYS A 93 8.104 5.347 -8.753 1.00 31.21 C ATOM 1487 CE LYS A 93 8.554 5.135 -10.206 1.00 24.30 C ATOM 1488 NZ LYS A 93 7.556 4.371 -11.004 1.00 20.42 N ATOM 0 H LYS A 93 8.996 2.467 -5.800 1.00 21.31 H new ATOM 0 HA LYS A 93 9.278 5.242 -6.102 1.00 32.12 H new ATOM 0 HB2 LYS A 93 6.882 3.356 -6.185 1.00 74.11 H new ATOM 0 HB3 LYS A 93 6.693 5.073 -6.479 1.00 74.11 H new ATOM 0 HG2 LYS A 93 8.592 3.341 -8.106 1.00 11.42 H new ATOM 0 HG3 LYS A 93 6.908 3.557 -8.539 1.00 11.42 H new ATOM 0 HD2 LYS A 93 7.236 6.006 -8.740 1.00 31.21 H new ATOM 0 HD3 LYS A 93 8.897 5.853 -8.203 1.00 31.21 H new ATOM 0 HE2 LYS A 93 8.725 6.104 -10.675 1.00 24.30 H new ATOM 0 HE3 LYS A 93 9.506 4.604 -10.215 1.00 24.30 H new ATOM 0 HZ1 LYS A 93 7.848 4.356 -12.002 1.00 20.42 H new ATOM 0 HZ2 LYS A 93 7.498 3.396 -10.646 1.00 20.42 H new ATOM 0 HZ3 LYS A 93 6.624 4.826 -10.923 1.00 20.42 H new ATOM 1502 N ALA A 94 7.412 4.334 -3.501 1.00 15.54 N ATOM 1503 CA ALA A 94 6.795 4.758 -2.230 1.00 11.31 C ATOM 1504 C ALA A 94 7.841 5.303 -1.239 1.00 42.11 C ATOM 1505 O ALA A 94 7.558 6.215 -0.451 1.00 25.54 O ATOM 1506 CB ALA A 94 6.005 3.590 -1.631 1.00 74.34 C ATOM 0 H ALA A 94 7.275 3.345 -3.707 1.00 15.54 H new ATOM 0 HA ALA A 94 6.108 5.580 -2.434 1.00 11.31 H new ATOM 0 HB1 ALA A 94 5.549 3.903 -0.692 1.00 74.34 H new ATOM 0 HB2 ALA A 94 5.226 3.282 -2.328 1.00 74.34 H new ATOM 0 HB3 ALA A 94 6.678 2.752 -1.446 1.00 74.34 H new ATOM 1512 N GLU A 95 9.055 4.740 -1.317 1.00 74.22 N ATOM 1513 CA GLU A 95 10.205 5.167 -0.515 1.00 22.12 C ATOM 1514 C GLU A 95 10.817 6.483 -1.040 1.00 42.44 C ATOM 1515 O GLU A 95 11.173 7.346 -0.239 1.00 54.40 O ATOM 1516 CB GLU A 95 11.250 4.028 -0.487 1.00 21.14 C ATOM 1517 CG GLU A 95 10.802 2.784 0.308 1.00 24.53 C ATOM 1518 CD GLU A 95 10.810 2.992 1.834 1.00 72.41 C ATOM 1519 OE1 GLU A 95 9.877 3.605 2.382 1.00 42.14 O ATOM 1520 OE2 GLU A 95 11.762 2.542 2.500 1.00 55.30 O ATOM 0 H GLU A 95 9.266 3.966 -1.947 1.00 74.22 H new ATOM 0 HA GLU A 95 9.869 5.372 0.501 1.00 22.12 H new ATOM 0 HB2 GLU A 95 11.475 3.730 -1.511 1.00 21.14 H new ATOM 0 HB3 GLU A 95 12.176 4.409 -0.055 1.00 21.14 H new ATOM 0 HG2 GLU A 95 9.797 2.504 -0.007 1.00 24.53 H new ATOM 0 HG3 GLU A 95 11.457 1.949 0.060 1.00 24.53 H new ATOM 1527 N GLU A 96 10.903 6.643 -2.378 1.00 21.52 N ATOM 1528 CA GLU A 96 11.471 7.867 -3.011 1.00 21.41 C ATOM 1529 C GLU A 96 10.555 9.071 -2.786 1.00 4.42 C ATOM 1530 O GLU A 96 11.028 10.209 -2.627 1.00 13.50 O ATOM 1531 CB GLU A 96 11.703 7.664 -4.532 1.00 12.12 C ATOM 1532 CG GLU A 96 12.812 6.662 -4.888 1.00 43.51 C ATOM 1533 CD GLU A 96 14.219 7.075 -4.409 1.00 73.53 C ATOM 1534 OE1 GLU A 96 14.574 6.793 -3.248 1.00 0.15 O ATOM 1535 OE2 GLU A 96 14.987 7.647 -5.205 1.00 2.41 O ATOM 0 H GLU A 96 10.587 5.941 -3.048 1.00 21.52 H new ATOM 0 HA GLU A 96 12.434 8.058 -2.538 1.00 21.41 H new ATOM 0 HB2 GLU A 96 10.770 7.328 -4.986 1.00 12.12 H new ATOM 0 HB3 GLU A 96 11.946 8.628 -4.980 1.00 12.12 H new ATOM 0 HG2 GLU A 96 12.563 5.693 -4.454 1.00 43.51 H new ATOM 0 HG3 GLU A 96 12.833 6.531 -5.970 1.00 43.51 H new ATOM 1542 N TRP A 97 9.244 8.797 -2.788 1.00 13.15 N ATOM 1543 CA TRP A 97 8.226 9.776 -2.428 1.00 54.32 C ATOM 1544 C TRP A 97 8.436 10.210 -0.971 1.00 0.13 C ATOM 1545 O TRP A 97 8.491 11.401 -0.685 1.00 32.41 O ATOM 1546 CB TRP A 97 6.799 9.196 -2.640 1.00 32.24 C ATOM 1547 CG TRP A 97 6.456 8.885 -4.087 1.00 35.31 C ATOM 1548 CD1 TRP A 97 6.968 9.483 -5.204 1.00 15.03 C ATOM 1549 CD2 TRP A 97 5.513 7.908 -4.561 1.00 23.23 C ATOM 1550 NE1 TRP A 97 6.427 8.920 -6.332 1.00 2.41 N ATOM 1551 CE2 TRP A 97 5.537 7.955 -5.966 1.00 13.34 C ATOM 1552 CE3 TRP A 97 4.667 6.990 -3.936 1.00 34.13 C ATOM 1553 CZ2 TRP A 97 4.747 7.125 -6.753 1.00 0.23 C ATOM 1554 CZ3 TRP A 97 3.884 6.163 -4.719 1.00 52.25 C ATOM 1555 CH2 TRP A 97 3.936 6.234 -6.114 1.00 33.51 C ATOM 0 H TRP A 97 8.865 7.885 -3.041 1.00 13.15 H new ATOM 0 HA TRP A 97 8.320 10.648 -3.076 1.00 54.32 H new ATOM 0 HB2 TRP A 97 6.700 8.284 -2.052 1.00 32.24 H new ATOM 0 HB3 TRP A 97 6.070 9.907 -2.251 1.00 32.24 H new ATOM 0 HD1 TRP A 97 7.694 10.283 -5.199 1.00 15.03 H new ATOM 0 HE1 TRP A 97 6.655 9.182 -7.291 1.00 2.41 H new ATOM 0 HE3 TRP A 97 4.625 6.927 -2.859 1.00 34.13 H new ATOM 0 HZ2 TRP A 97 4.774 7.184 -7.831 1.00 0.23 H new ATOM 0 HZ3 TRP A 97 3.223 5.452 -4.246 1.00 52.25 H new ATOM 0 HH2 TRP A 97 3.320 5.568 -6.699 1.00 33.51 H new ATOM 1566 N LEU A 98 8.644 9.214 -0.083 1.00 2.12 N ATOM 1567 CA LEU A 98 8.834 9.433 1.365 1.00 64.22 C ATOM 1568 C LEU A 98 10.112 10.260 1.660 1.00 3.40 C ATOM 1569 O LEU A 98 10.102 11.122 2.540 1.00 65.34 O ATOM 1570 CB LEU A 98 8.868 8.062 2.113 1.00 44.01 C ATOM 1571 CG LEU A 98 8.871 8.121 3.678 1.00 53.22 C ATOM 1572 CD1 LEU A 98 7.632 8.863 4.218 1.00 23.12 C ATOM 1573 CD2 LEU A 98 8.986 6.706 4.294 1.00 0.24 C ATOM 0 H LEU A 98 8.685 8.231 -0.353 1.00 2.12 H new ATOM 0 HA LEU A 98 7.988 10.014 1.732 1.00 64.22 H new ATOM 0 HB2 LEU A 98 8.004 7.478 1.795 1.00 44.01 H new ATOM 0 HB3 LEU A 98 9.756 7.519 1.790 1.00 44.01 H new ATOM 0 HG LEU A 98 9.752 8.688 3.980 1.00 53.22 H new ATOM 0 HD11 LEU A 98 7.667 8.885 5.307 1.00 23.12 H new ATOM 0 HD12 LEU A 98 7.623 9.883 3.835 1.00 23.12 H new ATOM 0 HD13 LEU A 98 6.729 8.346 3.894 1.00 23.12 H new ATOM 0 HD21 LEU A 98 8.985 6.781 5.381 1.00 0.24 H new ATOM 0 HD22 LEU A 98 8.140 6.099 3.972 1.00 0.24 H new ATOM 0 HD23 LEU A 98 9.914 6.239 3.963 1.00 0.24 H new ATOM 1585 N GLN A 99 11.193 10.013 0.886 1.00 74.05 N ATOM 1586 CA GLN A 99 12.476 10.738 1.037 1.00 24.05 C ATOM 1587 C GLN A 99 12.330 12.207 0.600 1.00 52.22 C ATOM 1588 O GLN A 99 12.881 13.117 1.235 1.00 23.05 O ATOM 1589 CB GLN A 99 13.605 10.051 0.212 1.00 73.21 C ATOM 1590 CG GLN A 99 13.931 8.593 0.608 1.00 62.44 C ATOM 1591 CD GLN A 99 14.174 8.397 2.110 1.00 41.03 C ATOM 1592 OE1 GLN A 99 13.247 8.106 2.873 1.00 72.33 O ATOM 1593 NE2 GLN A 99 15.414 8.563 2.550 1.00 73.22 N ATOM 0 H GLN A 99 11.202 9.312 0.145 1.00 74.05 H new ATOM 0 HA GLN A 99 12.748 10.711 2.092 1.00 24.05 H new ATOM 0 HB2 GLN A 99 13.322 10.068 -0.841 1.00 73.21 H new ATOM 0 HB3 GLN A 99 14.513 10.646 0.308 1.00 73.21 H new ATOM 0 HG2 GLN A 99 13.109 7.949 0.296 1.00 62.44 H new ATOM 0 HG3 GLN A 99 14.816 8.267 0.061 1.00 62.44 H new ATOM 0 HE21 GLN A 99 16.159 8.803 1.896 1.00 73.22 H new ATOM 0 HE22 GLN A 99 15.622 8.451 3.542 1.00 73.22 H new ATOM 1602 N ALA A 100 11.576 12.422 -0.491 1.00 41.54 N ATOM 1603 CA ALA A 100 11.335 13.763 -1.051 1.00 44.42 C ATOM 1604 C ALA A 100 10.350 14.562 -0.176 1.00 52.20 C ATOM 1605 O ALA A 100 10.408 15.794 -0.139 1.00 53.01 O ATOM 1606 CB ALA A 100 10.837 13.646 -2.499 1.00 20.52 C ATOM 0 H ALA A 100 11.117 11.673 -1.009 1.00 41.54 H new ATOM 0 HA ALA A 100 12.276 14.313 -1.057 1.00 44.42 H new ATOM 0 HB1 ALA A 100 10.661 14.642 -2.905 1.00 20.52 H new ATOM 0 HB2 ALA A 100 11.588 13.136 -3.102 1.00 20.52 H new ATOM 0 HB3 ALA A 100 9.908 13.077 -2.519 1.00 20.52 H new ATOM 1612 N GLU A 101 9.453 13.839 0.528 1.00 35.01 N ATOM 1613 CA GLU A 101 8.506 14.432 1.489 1.00 15.55 C ATOM 1614 C GLU A 101 9.232 14.897 2.761 1.00 23.40 C ATOM 1615 O GLU A 101 8.959 15.991 3.267 1.00 62.33 O ATOM 1616 CB GLU A 101 7.385 13.418 1.865 1.00 2.04 C ATOM 1617 CG GLU A 101 6.343 13.154 0.762 1.00 13.12 C ATOM 1618 CD GLU A 101 5.545 14.404 0.351 1.00 62.12 C ATOM 1619 OE1 GLU A 101 4.932 15.046 1.229 1.00 25.12 O ATOM 1620 OE2 GLU A 101 5.543 14.765 -0.845 1.00 52.51 O ATOM 0 H GLU A 101 9.367 12.826 0.444 1.00 35.01 H new ATOM 0 HA GLU A 101 8.050 15.298 1.008 1.00 15.55 H new ATOM 0 HB2 GLU A 101 7.850 12.471 2.137 1.00 2.04 H new ATOM 0 HB3 GLU A 101 6.867 13.785 2.751 1.00 2.04 H new ATOM 0 HG2 GLU A 101 6.850 12.753 -0.116 1.00 13.12 H new ATOM 0 HG3 GLU A 101 5.649 12.388 1.107 1.00 13.12 H new ATOM 1627 N GLN A 102 10.151 14.064 3.270 1.00 53.11 N ATOM 1628 CA GLN A 102 10.866 14.327 4.530 1.00 55.31 C ATOM 1629 C GLN A 102 12.159 15.130 4.252 1.00 1.21 C ATOM 1630 O GLN A 102 13.225 14.559 4.005 1.00 53.14 O ATOM 1631 CB GLN A 102 11.155 12.986 5.263 1.00 21.15 C ATOM 1632 CG GLN A 102 9.887 12.192 5.673 1.00 24.21 C ATOM 1633 CD GLN A 102 10.194 10.846 6.348 1.00 54.22 C ATOM 1634 OE1 GLN A 102 11.216 10.209 6.074 1.00 33.13 O ATOM 1635 NE2 GLN A 102 9.297 10.386 7.216 1.00 50.44 N ATOM 0 H GLN A 102 10.420 13.189 2.821 1.00 53.11 H new ATOM 0 HA GLN A 102 10.243 14.934 5.186 1.00 55.31 H new ATOM 0 HB2 GLN A 102 11.769 12.358 4.617 1.00 21.15 H new ATOM 0 HB3 GLN A 102 11.743 13.194 6.157 1.00 21.15 H new ATOM 0 HG2 GLN A 102 9.291 12.802 6.352 1.00 24.21 H new ATOM 0 HG3 GLN A 102 9.278 12.014 4.787 1.00 24.21 H new ATOM 0 HE21 GLN A 102 8.461 10.933 7.424 1.00 50.44 H new ATOM 0 HE22 GLN A 102 9.445 9.486 7.674 1.00 50.44 H new ATOM 1644 N ASN A 103 12.014 16.468 4.235 1.00 31.43 N ATOM 1645 CA ASN A 103 13.115 17.438 3.995 1.00 32.10 C ATOM 1646 C ASN A 103 13.729 17.933 5.322 1.00 72.31 C ATOM 1647 O ASN A 103 13.171 17.705 6.401 1.00 74.51 O ATOM 1648 CB ASN A 103 12.567 18.652 3.193 1.00 34.31 C ATOM 1649 CG ASN A 103 11.996 18.275 1.830 1.00 5.21 C ATOM 1650 OD1 ASN A 103 12.662 18.371 0.802 1.00 41.22 O ATOM 1651 ND2 ASN A 103 10.761 17.816 1.816 1.00 34.54 N ATOM 0 H ASN A 103 11.113 16.921 4.390 1.00 31.43 H new ATOM 0 HA ASN A 103 13.896 16.933 3.427 1.00 32.10 H new ATOM 0 HB2 ASN A 103 11.791 19.144 3.779 1.00 34.31 H new ATOM 0 HB3 ASN A 103 13.369 19.377 3.054 1.00 34.31 H new ATOM 0 HD21 ASN A 103 10.334 17.529 0.935 1.00 34.54 H new ATOM 0 HD22 ASN A 103 10.232 17.748 2.686 1.00 34.54 H new ATOM 1658 N ASN A 104 14.872 18.645 5.220 1.00 53.33 N ATOM 1659 CA ASN A 104 15.569 19.246 6.379 1.00 14.25 C ATOM 1660 C ASN A 104 15.504 20.792 6.232 1.00 10.50 C ATOM 1661 O ASN A 104 14.560 21.412 6.749 1.00 52.13 O ATOM 1662 CB ASN A 104 17.042 18.712 6.439 1.00 42.12 C ATOM 1663 CG ASN A 104 17.817 18.995 7.751 1.00 64.31 C ATOM 1664 OD1 ASN A 104 18.674 18.200 8.147 1.00 74.32 O ATOM 1665 ND2 ASN A 104 17.576 20.118 8.423 1.00 50.24 N ATOM 1666 OXT ASN A 104 16.374 21.379 5.566 1.00 38.36 O ATOM 0 H ASN A 104 15.339 18.820 4.330 1.00 53.33 H new ATOM 0 HA ASN A 104 15.091 18.968 7.319 1.00 14.25 H new ATOM 0 HB2 ASN A 104 17.023 17.634 6.277 1.00 42.12 H new ATOM 0 HB3 ASN A 104 17.599 19.149 5.610 1.00 42.12 H new ATOM 0 HD21 ASN A 104 18.101 20.327 9.272 1.00 50.24 H new ATOM 0 HD22 ASN A 104 16.866 20.770 8.089 1.00 50.24 H new TER 1673 ASN A 104