USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 657 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 78 LYS NZ :NH3+ 158:sc= 1.19 (180deg=0) USER MOD Set 1.2: A 82 GLN : amide:sc= 1.02 K(o=2.2,f=-11!) USER MOD Set 2.1: A 57 GLN : amide:sc= -0.122 X(o=0.67,f=0.78) USER MOD Set 2.2: A 80 TYR OH : rot -107:sc= 0.79 USER MOD Set 3.1: A 4 ASN : amide:sc= 0.316 K(o=1.9,f=-0.046) USER MOD Set 3.2: A 32 HIS : no HD1:sc= 0.679 K(o=1.9,f=-3) USER MOD Set 3.3: A 33 SER OG : rot 40:sc= 0.902 USER MOD Single : A 1 GLY N :NH3+ -148:sc= 0.0114 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.028 USER MOD Single : A 6 GLN : amide:sc= 0.34 X(o=0.34,f=-0.039) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0378 USER MOD Single : A 15 GLN : amide:sc= -0.428 X(o=-0.43,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0111) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 30:sc= -0.125 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 1.08 (180deg=1.08) USER MOD Single : A 47 ASN : amide:sc= 0.139 K(o=0.14,f=-5.1!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0668) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -128:sc= 1.32 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -1.01 K(o=-1,f=-0.019) USER MOD Single : A 68 ASN : amide:sc= -0.182 K(o=-0.18,f=-4.7!) USER MOD Single : A 69 LYS NZ :NH3+ -162:sc= 1.22 (180deg=1.14) USER MOD Single : A 70 SER OG : rot -85:sc= 1.51 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -113:sc= -0.261 (180deg=-1.58) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000325) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.868 -3.017 -6.545 1.00 22.11 N ATOM 2 CA GLY A 1 13.599 -1.765 -5.848 1.00 73.24 C ATOM 3 C GLY A 1 14.891 -1.179 -5.320 1.00 73.42 C ATOM 4 O GLY A 1 15.893 -1.147 -6.030 1.00 63.44 O ATOM 0 H1 GLY A 1 13.185 -3.137 -7.320 1.00 22.11 H new ATOM 0 H2 GLY A 1 14.832 -2.998 -6.934 1.00 22.11 H new ATOM 0 H3 GLY A 1 13.779 -3.811 -5.879 1.00 22.11 H new ATOM 0 HA2 GLY A 1 13.119 -1.058 -6.525 1.00 73.24 H new ATOM 0 HA3 GLY A 1 12.906 -1.939 -5.025 1.00 73.24 H new ATOM 8 N SER A 2 14.875 -0.757 -4.063 1.00 64.44 N ATOM 9 CA SER A 2 15.823 0.108 -3.401 1.00 21.14 C ATOM 10 C SER A 2 16.020 -0.425 -1.981 1.00 24.14 C ATOM 11 O SER A 2 15.836 -1.616 -1.722 1.00 12.41 O ATOM 12 CB SER A 2 15.229 1.524 -3.421 1.00 41.05 C ATOM 13 OG SER A 2 16.241 2.503 -3.276 1.00 20.30 O ATOM 0 H SER A 2 14.128 -1.041 -3.430 1.00 64.44 H new ATOM 0 HA SER A 2 16.798 0.135 -3.888 1.00 21.14 H new ATOM 0 HB2 SER A 2 14.695 1.684 -4.358 1.00 41.05 H new ATOM 0 HB3 SER A 2 14.501 1.628 -2.617 1.00 41.05 H new ATOM 0 HG SER A 2 15.837 3.396 -3.294 1.00 20.30 H new ATOM 19 N GLU A 3 16.410 0.453 -1.054 1.00 43.23 N ATOM 20 CA GLU A 3 16.585 0.105 0.349 1.00 61.33 C ATOM 21 C GLU A 3 15.292 -0.427 0.973 1.00 72.01 C ATOM 22 O GLU A 3 15.364 -1.229 1.902 1.00 55.54 O ATOM 23 CB GLU A 3 17.166 1.283 1.151 1.00 22.02 C ATOM 24 CG GLU A 3 16.209 2.455 1.426 1.00 42.12 C ATOM 25 CD GLU A 3 16.800 3.505 2.381 1.00 61.02 C ATOM 26 OE1 GLU A 3 17.877 3.295 2.986 1.00 0.24 O ATOM 27 OE2 GLU A 3 16.205 4.603 2.485 1.00 64.41 O ATOM 0 H GLU A 3 16.613 1.431 -1.262 1.00 43.23 H new ATOM 0 HA GLU A 3 17.311 -0.707 0.392 1.00 61.33 H new ATOM 0 HB2 GLU A 3 17.525 0.902 2.107 1.00 22.02 H new ATOM 0 HB3 GLU A 3 18.034 1.668 0.615 1.00 22.02 H new ATOM 0 HG2 GLU A 3 15.952 2.935 0.482 1.00 42.12 H new ATOM 0 HG3 GLU A 3 15.282 2.068 1.850 1.00 42.12 H new ATOM 34 N ASN A 4 14.124 -0.040 0.450 1.00 1.43 N ATOM 35 CA ASN A 4 12.848 -0.447 1.032 1.00 3.31 C ATOM 36 C ASN A 4 12.589 -1.920 0.742 1.00 0.42 C ATOM 37 O ASN A 4 12.029 -2.626 1.575 1.00 72.03 O ATOM 38 CB ASN A 4 11.663 0.386 0.505 1.00 20.44 C ATOM 39 CG ASN A 4 12.023 1.838 0.242 1.00 55.21 C ATOM 40 OD1 ASN A 4 11.921 2.680 1.122 1.00 35.43 O ATOM 41 ND2 ASN A 4 12.483 2.146 -0.961 1.00 52.43 N ATOM 0 H ASN A 4 14.039 0.554 -0.375 1.00 1.43 H new ATOM 0 HA ASN A 4 12.923 -0.277 2.106 1.00 3.31 H new ATOM 0 HB2 ASN A 4 11.293 -0.063 -0.417 1.00 20.44 H new ATOM 0 HB3 ASN A 4 10.849 0.345 1.228 1.00 20.44 H new ATOM 0 HD21 ASN A 4 12.762 3.105 -1.170 1.00 52.43 H new ATOM 0 HD22 ASN A 4 12.558 1.425 -1.678 1.00 52.43 H new ATOM 48 N PHE A 5 12.974 -2.375 -0.452 1.00 33.41 N ATOM 49 CA PHE A 5 12.573 -3.647 -1.031 1.00 32.44 C ATOM 50 C PHE A 5 12.756 -4.818 -0.064 1.00 51.20 C ATOM 51 O PHE A 5 11.780 -5.506 0.228 1.00 34.04 O ATOM 52 CB PHE A 5 13.325 -3.862 -2.349 1.00 43.30 C ATOM 53 CG PHE A 5 12.871 -5.072 -3.148 1.00 4.32 C ATOM 54 CD1 PHE A 5 11.542 -5.177 -3.612 1.00 24.33 C ATOM 55 CD2 PHE A 5 13.783 -6.113 -3.412 1.00 44.22 C ATOM 56 CE1 PHE A 5 11.129 -6.340 -4.283 1.00 24.35 C ATOM 57 CE2 PHE A 5 13.374 -7.255 -4.125 1.00 24.11 C ATOM 58 CZ PHE A 5 12.039 -7.377 -4.545 1.00 41.14 C ATOM 0 H PHE A 5 13.597 -1.844 -1.060 1.00 33.41 H new ATOM 0 HA PHE A 5 11.503 -3.610 -1.237 1.00 32.44 H new ATOM 0 HB2 PHE A 5 13.210 -2.971 -2.967 1.00 43.30 H new ATOM 0 HB3 PHE A 5 14.388 -3.965 -2.132 1.00 43.30 H new ATOM 0 HD1 PHE A 5 10.846 -4.367 -3.452 1.00 24.33 H new ATOM 0 HD2 PHE A 5 14.803 -6.034 -3.065 1.00 44.22 H new ATOM 0 HE1 PHE A 5 10.101 -6.438 -4.601 1.00 24.35 H new ATOM 0 HE2 PHE A 5 14.085 -8.036 -4.349 1.00 24.11 H new ATOM 0 HZ PHE A 5 11.714 -8.265 -5.067 1.00 41.14 H new ATOM 68 N GLN A 6 13.973 -5.057 0.436 1.00 35.31 N ATOM 69 CA GLN A 6 14.211 -6.203 1.315 1.00 20.25 C ATOM 70 C GLN A 6 13.436 -6.089 2.629 1.00 40.50 C ATOM 71 O GLN A 6 12.982 -7.106 3.152 1.00 60.24 O ATOM 72 CB GLN A 6 15.711 -6.405 1.577 1.00 42.33 C ATOM 73 CG GLN A 6 16.048 -7.645 2.412 1.00 31.42 C ATOM 74 CD GLN A 6 15.601 -8.942 1.755 1.00 61.13 C ATOM 75 OE1 GLN A 6 16.356 -9.561 1.009 1.00 62.12 O ATOM 76 NE2 GLN A 6 14.380 -9.378 2.006 1.00 63.01 N ATOM 0 H GLN A 6 14.795 -4.482 0.250 1.00 35.31 H new ATOM 0 HA GLN A 6 13.838 -7.085 0.794 1.00 20.25 H new ATOM 0 HB2 GLN A 6 16.228 -6.475 0.620 1.00 42.33 H new ATOM 0 HB3 GLN A 6 16.100 -5.523 2.086 1.00 42.33 H new ATOM 0 HG2 GLN A 6 17.124 -7.681 2.581 1.00 31.42 H new ATOM 0 HG3 GLN A 6 15.575 -7.557 3.390 1.00 31.42 H new ATOM 0 HE21 GLN A 6 13.768 -8.850 2.628 1.00 63.01 H new ATOM 0 HE22 GLN A 6 14.049 -10.243 1.578 1.00 63.01 H new ATOM 85 N THR A 7 13.287 -4.884 3.171 1.00 55.33 N ATOM 86 CA THR A 7 12.596 -4.677 4.433 1.00 12.51 C ATOM 87 C THR A 7 11.096 -4.945 4.245 1.00 21.05 C ATOM 88 O THR A 7 10.473 -5.567 5.103 1.00 51.10 O ATOM 89 CB THR A 7 12.874 -3.246 4.937 1.00 33.15 C ATOM 90 OG1 THR A 7 14.123 -2.753 4.463 1.00 53.20 O ATOM 91 CG2 THR A 7 12.898 -3.189 6.466 1.00 62.10 C ATOM 0 H THR A 7 13.642 -4.027 2.746 1.00 55.33 H new ATOM 0 HA THR A 7 12.962 -5.372 5.189 1.00 12.51 H new ATOM 0 HB THR A 7 12.064 -2.627 4.551 1.00 33.15 H new ATOM 0 HG1 THR A 7 14.265 -1.844 4.800 1.00 53.20 H new ATOM 0 HG21 THR A 7 13.096 -2.167 6.789 1.00 62.10 H new ATOM 0 HG22 THR A 7 11.934 -3.513 6.857 1.00 62.10 H new ATOM 0 HG23 THR A 7 13.681 -3.847 6.842 1.00 62.10 H new ATOM 99 N LEU A 8 10.526 -4.552 3.097 1.00 60.03 N ATOM 100 CA LEU A 8 9.153 -4.861 2.704 1.00 61.14 C ATOM 101 C LEU A 8 8.985 -6.373 2.562 1.00 62.13 C ATOM 102 O LEU A 8 7.983 -6.922 3.010 1.00 53.44 O ATOM 103 CB LEU A 8 8.810 -4.166 1.371 1.00 35.15 C ATOM 104 CG LEU A 8 8.224 -2.741 1.447 1.00 3.25 C ATOM 105 CD1 LEU A 8 8.809 -1.831 2.536 1.00 51.31 C ATOM 106 CD2 LEU A 8 8.408 -2.063 0.084 1.00 63.20 C ATOM 0 H LEU A 8 11.024 -3.996 2.402 1.00 60.03 H new ATOM 0 HA LEU A 8 8.474 -4.495 3.474 1.00 61.14 H new ATOM 0 HB2 LEU A 8 9.717 -4.126 0.768 1.00 35.15 H new ATOM 0 HB3 LEU A 8 8.099 -4.795 0.836 1.00 35.15 H new ATOM 0 HG LEU A 8 7.177 -2.873 1.719 1.00 3.25 H new ATOM 0 HD11 LEU A 8 8.323 -0.856 2.495 1.00 51.31 H new ATOM 0 HD12 LEU A 8 8.640 -2.280 3.515 1.00 51.31 H new ATOM 0 HD13 LEU A 8 9.880 -1.710 2.372 1.00 51.31 H new ATOM 0 HD21 LEU A 8 7.998 -1.054 0.121 1.00 63.20 H new ATOM 0 HD22 LEU A 8 9.470 -2.015 -0.158 1.00 63.20 H new ATOM 0 HD23 LEU A 8 7.887 -2.638 -0.682 1.00 63.20 H new ATOM 118 N LEU A 9 9.945 -7.065 1.947 1.00 11.54 N ATOM 119 CA LEU A 9 9.904 -8.518 1.777 1.00 4.44 C ATOM 120 C LEU A 9 9.906 -9.269 3.117 1.00 11.45 C ATOM 121 O LEU A 9 9.568 -10.451 3.147 1.00 2.45 O ATOM 122 CB LEU A 9 11.107 -8.964 0.936 1.00 0.43 C ATOM 123 CG LEU A 9 11.050 -8.575 -0.550 1.00 35.15 C ATOM 124 CD1 LEU A 9 12.439 -8.727 -1.169 1.00 12.44 C ATOM 125 CD2 LEU A 9 10.053 -9.438 -1.315 1.00 13.45 C ATOM 0 H LEU A 9 10.778 -6.630 1.550 1.00 11.54 H new ATOM 0 HA LEU A 9 8.970 -8.763 1.271 1.00 4.44 H new ATOM 0 HB2 LEU A 9 12.011 -8.539 1.371 1.00 0.43 H new ATOM 0 HB3 LEU A 9 11.198 -10.048 1.008 1.00 0.43 H new ATOM 0 HG LEU A 9 10.720 -7.538 -0.618 1.00 35.15 H new ATOM 0 HD11 LEU A 9 12.400 -8.451 -2.223 1.00 12.44 H new ATOM 0 HD12 LEU A 9 13.142 -8.076 -0.650 1.00 12.44 H new ATOM 0 HD13 LEU A 9 12.767 -9.762 -1.077 1.00 12.44 H new ATOM 0 HD21 LEU A 9 10.038 -9.136 -2.362 1.00 13.45 H new ATOM 0 HD22 LEU A 9 10.348 -10.485 -1.244 1.00 13.45 H new ATOM 0 HD23 LEU A 9 9.059 -9.311 -0.887 1.00 13.45 H new ATOM 137 N ASP A 10 10.271 -8.608 4.216 1.00 63.14 N ATOM 138 CA ASP A 10 10.263 -9.157 5.575 1.00 14.31 C ATOM 139 C ASP A 10 9.086 -8.626 6.408 1.00 31.13 C ATOM 140 O ASP A 10 8.822 -9.099 7.513 1.00 15.25 O ATOM 141 CB ASP A 10 11.585 -8.782 6.244 1.00 12.53 C ATOM 142 CG ASP A 10 11.845 -9.545 7.546 1.00 40.54 C ATOM 143 OD1 ASP A 10 11.482 -10.736 7.680 1.00 62.21 O ATOM 144 OD2 ASP A 10 12.565 -8.986 8.405 1.00 23.44 O ATOM 0 H ASP A 10 10.592 -7.640 4.185 1.00 63.14 H new ATOM 0 HA ASP A 10 10.146 -10.239 5.516 1.00 14.31 H new ATOM 0 HB2 ASP A 10 12.403 -8.974 5.549 1.00 12.53 H new ATOM 0 HB3 ASP A 10 11.588 -7.712 6.452 1.00 12.53 H new ATOM 149 N ALA A 11 8.330 -7.664 5.872 1.00 20.31 N ATOM 150 CA ALA A 11 7.316 -6.867 6.565 1.00 72.24 C ATOM 151 C ALA A 11 5.977 -7.602 6.701 1.00 40.51 C ATOM 152 O ALA A 11 4.948 -6.981 6.985 1.00 34.33 O ATOM 153 CB ALA A 11 7.149 -5.531 5.825 1.00 60.31 C ATOM 0 H ALA A 11 8.414 -7.407 4.889 1.00 20.31 H new ATOM 0 HA ALA A 11 7.656 -6.686 7.584 1.00 72.24 H new ATOM 0 HB1 ALA A 11 6.396 -4.927 6.331 1.00 60.31 H new ATOM 0 HB2 ALA A 11 8.099 -4.997 5.819 1.00 60.31 H new ATOM 0 HB3 ALA A 11 6.833 -5.720 4.799 1.00 60.31 H new ATOM 159 N GLY A 12 5.977 -8.909 6.450 1.00 31.31 N ATOM 160 CA GLY A 12 4.796 -9.743 6.352 1.00 44.42 C ATOM 161 C GLY A 12 4.346 -9.948 4.908 1.00 11.11 C ATOM 162 O GLY A 12 3.275 -10.503 4.687 1.00 1.44 O ATOM 0 H GLY A 12 6.840 -9.432 6.304 1.00 31.31 H new ATOM 0 HA2 GLY A 12 5.000 -10.712 6.807 1.00 44.42 H new ATOM 0 HA3 GLY A 12 3.985 -9.288 6.921 1.00 44.42 H new ATOM 166 N LEU A 13 5.096 -9.444 3.924 1.00 74.41 N ATOM 167 CA LEU A 13 4.586 -9.252 2.573 1.00 72.33 C ATOM 168 C LEU A 13 5.101 -10.360 1.639 1.00 55.11 C ATOM 169 O LEU A 13 6.145 -10.951 1.910 1.00 23.12 O ATOM 170 CB LEU A 13 4.958 -7.837 2.069 1.00 21.05 C ATOM 171 CG LEU A 13 4.540 -6.681 3.012 1.00 61.24 C ATOM 172 CD1 LEU A 13 5.084 -5.304 2.588 1.00 24.31 C ATOM 173 CD2 LEU A 13 3.013 -6.585 3.075 1.00 53.51 C ATOM 0 H LEU A 13 6.068 -9.160 4.045 1.00 74.41 H new ATOM 0 HA LEU A 13 3.498 -9.325 2.580 1.00 72.33 H new ATOM 0 HB2 LEU A 13 6.037 -7.792 1.918 1.00 21.05 H new ATOM 0 HB3 LEU A 13 4.493 -7.679 1.096 1.00 21.05 H new ATOM 0 HG LEU A 13 4.971 -6.924 3.983 1.00 61.24 H new ATOM 0 HD11 LEU A 13 4.749 -4.547 3.297 1.00 24.31 H new ATOM 0 HD12 LEU A 13 6.174 -5.332 2.574 1.00 24.31 H new ATOM 0 HD13 LEU A 13 4.715 -5.058 1.592 1.00 24.31 H new ATOM 0 HD21 LEU A 13 2.727 -5.770 3.740 1.00 53.51 H new ATOM 0 HD22 LEU A 13 2.619 -6.394 2.077 1.00 53.51 H new ATOM 0 HD23 LEU A 13 2.605 -7.522 3.453 1.00 53.51 H new ATOM 185 N PRO A 14 4.411 -10.617 0.511 1.00 72.01 N ATOM 186 CA PRO A 14 4.822 -11.526 -0.577 1.00 35.31 C ATOM 187 C PRO A 14 6.130 -11.090 -1.260 1.00 14.23 C ATOM 188 O PRO A 14 6.841 -10.241 -0.735 1.00 61.30 O ATOM 189 CB PRO A 14 3.630 -11.531 -1.548 1.00 73.32 C ATOM 190 CG PRO A 14 2.968 -10.190 -1.289 1.00 1.54 C ATOM 191 CD PRO A 14 3.107 -10.048 0.206 1.00 74.42 C ATOM 0 HA PRO A 14 5.049 -12.523 -0.200 1.00 35.31 H new ATOM 0 HB2 PRO A 14 3.955 -11.627 -2.584 1.00 73.32 H new ATOM 0 HB3 PRO A 14 2.951 -12.360 -1.349 1.00 73.32 H new ATOM 0 HG2 PRO A 14 3.466 -9.381 -1.823 1.00 1.54 H new ATOM 0 HG3 PRO A 14 1.924 -10.184 -1.603 1.00 1.54 H new ATOM 0 HD2 PRO A 14 3.049 -9.003 0.512 1.00 74.42 H new ATOM 0 HD3 PRO A 14 2.311 -10.578 0.730 1.00 74.42 H new ATOM 199 N GLN A 15 6.465 -11.615 -2.444 1.00 52.50 N ATOM 200 CA GLN A 15 7.442 -10.985 -3.328 1.00 60.23 C ATOM 201 C GLN A 15 6.745 -9.935 -4.199 1.00 15.12 C ATOM 202 O GLN A 15 7.164 -8.778 -4.221 1.00 63.32 O ATOM 203 CB GLN A 15 8.160 -12.039 -4.185 1.00 74.10 C ATOM 204 CG GLN A 15 9.296 -11.415 -5.017 1.00 43.43 C ATOM 205 CD GLN A 15 10.681 -11.813 -4.511 1.00 41.42 C ATOM 206 OE1 GLN A 15 11.113 -12.948 -4.684 1.00 61.12 O ATOM 207 NE2 GLN A 15 11.420 -10.889 -3.928 1.00 60.20 N ATOM 0 H GLN A 15 6.069 -12.480 -2.810 1.00 52.50 H new ATOM 0 HA GLN A 15 8.201 -10.486 -2.726 1.00 60.23 H new ATOM 0 HB2 GLN A 15 8.566 -12.818 -3.540 1.00 74.10 H new ATOM 0 HB3 GLN A 15 7.442 -12.518 -4.850 1.00 74.10 H new ATOM 0 HG2 GLN A 15 9.191 -11.723 -6.057 1.00 43.43 H new ATOM 0 HG3 GLN A 15 9.203 -10.329 -4.995 1.00 43.43 H new ATOM 0 HE21 GLN A 15 11.047 -9.949 -3.791 1.00 60.20 H new ATOM 0 HE22 GLN A 15 12.364 -11.114 -3.614 1.00 60.20 H new ATOM 216 N LYS A 16 5.693 -10.336 -4.927 1.00 1.32 N ATOM 217 CA LYS A 16 5.118 -9.575 -6.044 1.00 1.12 C ATOM 218 C LYS A 16 4.821 -8.118 -5.708 1.00 55.22 C ATOM 219 O LYS A 16 5.155 -7.228 -6.479 1.00 3.03 O ATOM 220 CB LYS A 16 3.816 -10.244 -6.515 1.00 1.34 C ATOM 221 CG LYS A 16 3.997 -11.524 -7.335 1.00 74.51 C ATOM 222 CD LYS A 16 4.668 -11.264 -8.690 1.00 13.04 C ATOM 223 CE LYS A 16 4.405 -12.366 -9.724 1.00 14.02 C ATOM 224 NZ LYS A 16 4.745 -13.720 -9.250 1.00 14.13 N ATOM 0 H LYS A 16 5.209 -11.216 -4.752 1.00 1.32 H new ATOM 0 HA LYS A 16 5.874 -9.578 -6.829 1.00 1.12 H new ATOM 0 HB2 LYS A 16 3.209 -10.476 -5.640 1.00 1.34 H new ATOM 0 HB3 LYS A 16 3.254 -9.526 -7.112 1.00 1.34 H new ATOM 0 HG2 LYS A 16 4.597 -12.234 -6.766 1.00 74.51 H new ATOM 0 HG3 LYS A 16 3.024 -11.988 -7.498 1.00 74.51 H new ATOM 0 HD2 LYS A 16 4.313 -10.313 -9.086 1.00 13.04 H new ATOM 0 HD3 LYS A 16 5.743 -11.165 -8.541 1.00 13.04 H new ATOM 0 HE2 LYS A 16 3.352 -12.343 -10.005 1.00 14.02 H new ATOM 0 HE3 LYS A 16 4.980 -12.151 -10.624 1.00 14.02 H new ATOM 0 HZ1 LYS A 16 4.574 -14.408 -10.011 1.00 14.13 H new ATOM 0 HZ2 LYS A 16 5.748 -13.750 -8.975 1.00 14.13 H new ATOM 0 HZ3 LYS A 16 4.154 -13.959 -8.428 1.00 14.13 H new ATOM 238 N VAL A 17 4.149 -7.887 -4.588 1.00 31.53 N ATOM 239 CA VAL A 17 3.648 -6.595 -4.167 1.00 1.23 C ATOM 240 C VAL A 17 4.852 -5.682 -3.938 1.00 33.41 C ATOM 241 O VAL A 17 4.870 -4.578 -4.477 1.00 15.32 O ATOM 242 CB VAL A 17 2.750 -6.783 -2.926 1.00 51.44 C ATOM 243 CG1 VAL A 17 2.140 -5.474 -2.425 1.00 15.51 C ATOM 244 CG2 VAL A 17 1.597 -7.755 -3.207 1.00 32.13 C ATOM 0 H VAL A 17 3.931 -8.629 -3.923 1.00 31.53 H new ATOM 0 HA VAL A 17 3.020 -6.121 -4.922 1.00 1.23 H new ATOM 0 HB VAL A 17 3.412 -7.184 -2.158 1.00 51.44 H new ATOM 0 HG11 VAL A 17 1.520 -5.673 -1.551 1.00 15.51 H new ATOM 0 HG12 VAL A 17 2.937 -4.781 -2.154 1.00 15.51 H new ATOM 0 HG13 VAL A 17 1.528 -5.033 -3.212 1.00 15.51 H new ATOM 0 HG21 VAL A 17 0.986 -7.863 -2.311 1.00 32.13 H new ATOM 0 HG22 VAL A 17 0.984 -7.367 -4.020 1.00 32.13 H new ATOM 0 HG23 VAL A 17 2.001 -8.727 -3.490 1.00 32.13 H new ATOM 254 N ALA A 18 5.888 -6.155 -3.227 1.00 40.04 N ATOM 255 CA ALA A 18 7.071 -5.340 -2.957 1.00 55.01 C ATOM 256 C ALA A 18 7.685 -4.805 -4.252 1.00 62.22 C ATOM 257 O ALA A 18 8.115 -3.652 -4.277 1.00 22.12 O ATOM 258 CB ALA A 18 8.142 -6.081 -2.143 1.00 54.22 C ATOM 0 H ALA A 18 5.925 -7.095 -2.832 1.00 40.04 H new ATOM 0 HA ALA A 18 6.721 -4.505 -2.351 1.00 55.01 H new ATOM 0 HB1 ALA A 18 8.994 -5.421 -1.977 1.00 54.22 H new ATOM 0 HB2 ALA A 18 7.724 -6.384 -1.183 1.00 54.22 H new ATOM 0 HB3 ALA A 18 8.469 -6.965 -2.691 1.00 54.22 H new ATOM 264 N GLU A 19 7.702 -5.606 -5.326 1.00 52.44 N ATOM 265 CA GLU A 19 8.308 -5.187 -6.587 1.00 55.42 C ATOM 266 C GLU A 19 7.616 -3.987 -7.246 1.00 44.23 C ATOM 267 O GLU A 19 8.220 -3.394 -8.144 1.00 41.12 O ATOM 268 CB GLU A 19 8.307 -6.315 -7.633 1.00 20.14 C ATOM 269 CG GLU A 19 9.171 -7.540 -7.332 1.00 71.13 C ATOM 270 CD GLU A 19 9.737 -8.104 -8.641 1.00 75.54 C ATOM 271 OE1 GLU A 19 8.977 -8.600 -9.505 1.00 4.01 O ATOM 272 OE2 GLU A 19 10.960 -7.986 -8.872 1.00 32.12 O ATOM 0 H GLU A 19 7.303 -6.545 -5.342 1.00 52.44 H new ATOM 0 HA GLU A 19 9.322 -4.909 -6.299 1.00 55.42 H new ATOM 0 HB2 GLU A 19 7.279 -6.650 -7.769 1.00 20.14 H new ATOM 0 HB3 GLU A 19 8.634 -5.895 -8.584 1.00 20.14 H new ATOM 0 HG2 GLU A 19 9.985 -7.268 -6.660 1.00 71.13 H new ATOM 0 HG3 GLU A 19 8.578 -8.300 -6.823 1.00 71.13 H new ATOM 279 N LYS A 20 6.382 -3.634 -6.861 1.00 41.10 N ATOM 280 CA LYS A 20 5.748 -2.374 -7.307 1.00 73.42 C ATOM 281 C LYS A 20 5.545 -1.363 -6.175 1.00 64.50 C ATOM 282 O LYS A 20 5.001 -0.284 -6.399 1.00 54.20 O ATOM 283 CB LYS A 20 4.467 -2.614 -8.138 1.00 3.44 C ATOM 284 CG LYS A 20 3.561 -3.781 -7.718 1.00 74.20 C ATOM 285 CD LYS A 20 3.930 -5.088 -8.435 1.00 20.54 C ATOM 286 CE LYS A 20 3.588 -5.010 -9.927 1.00 71.44 C ATOM 287 NZ LYS A 20 3.425 -6.340 -10.538 1.00 73.52 N ATOM 0 H LYS A 20 5.799 -4.198 -6.243 1.00 41.10 H new ATOM 0 HA LYS A 20 6.464 -1.908 -7.983 1.00 73.42 H new ATOM 0 HB2 LYS A 20 3.873 -1.700 -8.113 1.00 3.44 H new ATOM 0 HB3 LYS A 20 4.763 -2.773 -9.175 1.00 3.44 H new ATOM 0 HG2 LYS A 20 3.635 -3.926 -6.640 1.00 74.20 H new ATOM 0 HG3 LYS A 20 2.523 -3.530 -7.936 1.00 74.20 H new ATOM 0 HD2 LYS A 20 4.995 -5.287 -8.312 1.00 20.54 H new ATOM 0 HD3 LYS A 20 3.395 -5.921 -7.979 1.00 20.54 H new ATOM 0 HE2 LYS A 20 2.669 -4.439 -10.056 1.00 71.44 H new ATOM 0 HE3 LYS A 20 4.376 -4.468 -10.449 1.00 71.44 H new ATOM 0 HZ1 LYS A 20 3.195 -6.233 -11.547 1.00 73.52 H new ATOM 0 HZ2 LYS A 20 4.310 -6.878 -10.440 1.00 73.52 H new ATOM 0 HZ3 LYS A 20 2.655 -6.850 -10.059 1.00 73.52 H new ATOM 301 N LEU A 21 5.981 -1.680 -4.963 1.00 42.12 N ATOM 302 CA LEU A 21 5.746 -0.887 -3.763 1.00 43.20 C ATOM 303 C LEU A 21 6.988 -0.113 -3.370 1.00 20.14 C ATOM 304 O LEU A 21 6.856 1.011 -2.898 1.00 35.40 O ATOM 305 CB LEU A 21 5.346 -1.885 -2.679 1.00 52.52 C ATOM 306 CG LEU A 21 4.957 -1.326 -1.317 1.00 53.11 C ATOM 307 CD1 LEU A 21 3.940 -0.189 -1.404 1.00 32.33 C ATOM 308 CD2 LEU A 21 4.436 -2.492 -0.481 1.00 74.00 C ATOM 0 H LEU A 21 6.526 -2.523 -4.782 1.00 42.12 H new ATOM 0 HA LEU A 21 4.966 -0.142 -3.921 1.00 43.20 H new ATOM 0 HB2 LEU A 21 4.507 -2.471 -3.054 1.00 52.52 H new ATOM 0 HB3 LEU A 21 6.177 -2.575 -2.534 1.00 52.52 H new ATOM 0 HG LEU A 21 5.832 -0.876 -0.847 1.00 53.11 H new ATOM 0 HD11 LEU A 21 3.704 0.166 -0.401 1.00 32.33 H new ATOM 0 HD12 LEU A 21 4.359 0.630 -1.989 1.00 32.33 H new ATOM 0 HD13 LEU A 21 3.031 -0.550 -1.884 1.00 32.33 H new ATOM 0 HD21 LEU A 21 4.146 -2.131 0.506 1.00 74.00 H new ATOM 0 HD22 LEU A 21 3.571 -2.935 -0.974 1.00 74.00 H new ATOM 0 HD23 LEU A 21 5.219 -3.243 -0.377 1.00 74.00 H new ATOM 320 N ASP A 22 8.178 -0.673 -3.592 1.00 73.51 N ATOM 321 CA ASP A 22 9.430 0.026 -3.307 1.00 41.42 C ATOM 322 C ASP A 22 9.494 1.368 -4.054 1.00 74.51 C ATOM 323 O ASP A 22 9.818 2.399 -3.470 1.00 75.45 O ATOM 324 CB ASP A 22 10.598 -0.879 -3.679 1.00 55.21 C ATOM 325 CG ASP A 22 11.903 -0.109 -3.569 1.00 42.14 C ATOM 326 OD1 ASP A 22 12.332 0.479 -4.578 1.00 73.20 O ATOM 327 OD2 ASP A 22 12.567 -0.200 -2.514 1.00 41.14 O ATOM 0 H ASP A 22 8.300 -1.613 -3.970 1.00 73.51 H new ATOM 0 HA ASP A 22 9.485 0.255 -2.243 1.00 41.42 H new ATOM 0 HB2 ASP A 22 10.621 -1.747 -3.020 1.00 55.21 H new ATOM 0 HB3 ASP A 22 10.471 -1.253 -4.695 1.00 55.21 H new ATOM 332 N GLU A 23 9.038 1.367 -5.306 1.00 15.11 N ATOM 333 CA GLU A 23 8.868 2.491 -6.220 1.00 3.21 C ATOM 334 C GLU A 23 8.224 3.699 -5.542 1.00 55.32 C ATOM 335 O GLU A 23 8.650 4.842 -5.714 1.00 35.33 O ATOM 336 CB GLU A 23 7.939 1.995 -7.347 1.00 74.35 C ATOM 337 CG GLU A 23 8.625 1.254 -8.500 1.00 20.31 C ATOM 338 CD GLU A 23 9.822 0.402 -8.089 1.00 14.23 C ATOM 339 OE1 GLU A 23 9.644 -0.558 -7.310 1.00 34.11 O ATOM 340 OE2 GLU A 23 10.940 0.704 -8.576 1.00 62.21 O ATOM 0 H GLU A 23 8.751 0.493 -5.746 1.00 15.11 H new ATOM 0 HA GLU A 23 9.843 2.815 -6.585 1.00 3.21 H new ATOM 0 HB2 GLU A 23 7.190 1.334 -6.910 1.00 74.35 H new ATOM 0 HB3 GLU A 23 7.407 2.853 -7.757 1.00 74.35 H new ATOM 0 HG2 GLU A 23 7.891 0.613 -8.989 1.00 20.31 H new ATOM 0 HG3 GLU A 23 8.953 1.985 -9.239 1.00 20.31 H new ATOM 347 N ILE A 24 7.178 3.436 -4.766 1.00 23.51 N ATOM 348 CA ILE A 24 6.355 4.444 -4.115 1.00 61.22 C ATOM 349 C ILE A 24 7.174 5.189 -3.041 1.00 74.32 C ATOM 350 O ILE A 24 6.846 6.328 -2.706 1.00 40.44 O ATOM 351 CB ILE A 24 5.051 3.791 -3.583 1.00 22.20 C ATOM 352 CG1 ILE A 24 4.447 2.800 -4.616 1.00 63.11 C ATOM 353 CG2 ILE A 24 4.011 4.862 -3.211 1.00 62.41 C ATOM 354 CD1 ILE A 24 3.048 2.250 -4.308 1.00 73.33 C ATOM 0 H ILE A 24 6.871 2.484 -4.568 1.00 23.51 H new ATOM 0 HA ILE A 24 6.045 5.206 -4.830 1.00 61.22 H new ATOM 0 HB ILE A 24 5.314 3.230 -2.686 1.00 22.20 H new ATOM 0 HG12 ILE A 24 4.411 3.299 -5.585 1.00 63.11 H new ATOM 0 HG13 ILE A 24 5.130 1.956 -4.717 1.00 63.11 H new ATOM 0 HG21 ILE A 24 3.107 4.378 -2.841 1.00 62.41 H new ATOM 0 HG22 ILE A 24 4.418 5.511 -2.436 1.00 62.41 H new ATOM 0 HG23 ILE A 24 3.770 5.457 -4.092 1.00 62.41 H new ATOM 0 HD11 ILE A 24 2.741 1.571 -5.104 1.00 73.33 H new ATOM 0 HD12 ILE A 24 3.069 1.712 -3.360 1.00 73.33 H new ATOM 0 HD13 ILE A 24 2.339 3.075 -4.241 1.00 73.33 H new ATOM 366 N TYR A 25 8.283 4.621 -2.561 1.00 75.25 N ATOM 367 CA TYR A 25 9.189 5.255 -1.603 1.00 63.32 C ATOM 368 C TYR A 25 10.436 5.846 -2.272 1.00 74.14 C ATOM 369 O TYR A 25 11.126 6.664 -1.665 1.00 40.15 O ATOM 370 CB TYR A 25 9.527 4.260 -0.493 1.00 20.00 C ATOM 371 CG TYR A 25 8.270 3.646 0.084 1.00 74.44 C ATOM 372 CD1 TYR A 25 7.292 4.473 0.664 1.00 21.43 C ATOM 373 CD2 TYR A 25 7.989 2.290 -0.144 1.00 44.52 C ATOM 374 CE1 TYR A 25 6.015 3.972 0.959 1.00 11.50 C ATOM 375 CE2 TYR A 25 6.716 1.784 0.151 1.00 64.05 C ATOM 376 CZ TYR A 25 5.712 2.629 0.662 1.00 13.42 C ATOM 377 OH TYR A 25 4.448 2.160 0.816 1.00 51.12 O ATOM 0 H TYR A 25 8.582 3.685 -2.835 1.00 75.25 H new ATOM 0 HA TYR A 25 8.681 6.110 -1.157 1.00 63.32 H new ATOM 0 HB2 TYR A 25 10.172 3.475 -0.887 1.00 20.00 H new ATOM 0 HB3 TYR A 25 10.085 4.765 0.296 1.00 20.00 H new ATOM 0 HD1 TYR A 25 7.526 5.504 0.885 1.00 21.43 H new ATOM 0 HD2 TYR A 25 8.751 1.639 -0.545 1.00 44.52 H new ATOM 0 HE1 TYR A 25 5.270 4.611 1.410 1.00 11.50 H new ATOM 0 HE2 TYR A 25 6.503 0.738 -0.015 1.00 64.05 H new ATOM 0 HH TYR A 25 3.809 2.888 0.667 1.00 51.12 H new ATOM 387 N VAL A 26 10.698 5.503 -3.534 1.00 75.34 N ATOM 388 CA VAL A 26 11.807 6.037 -4.319 1.00 74.21 C ATOM 389 C VAL A 26 11.395 7.316 -5.062 1.00 55.04 C ATOM 390 O VAL A 26 12.237 8.174 -5.310 1.00 40.31 O ATOM 391 CB VAL A 26 12.287 4.929 -5.283 1.00 41.33 C ATOM 392 CG1 VAL A 26 13.356 5.398 -6.279 1.00 64.43 C ATOM 393 CG2 VAL A 26 12.878 3.753 -4.500 1.00 72.42 C ATOM 0 H VAL A 26 10.130 4.830 -4.049 1.00 75.34 H new ATOM 0 HA VAL A 26 12.630 6.324 -3.665 1.00 74.21 H new ATOM 0 HB VAL A 26 11.399 4.636 -5.842 1.00 41.33 H new ATOM 0 HG11 VAL A 26 13.644 4.566 -6.922 1.00 64.43 H new ATOM 0 HG12 VAL A 26 12.955 6.207 -6.889 1.00 64.43 H new ATOM 0 HG13 VAL A 26 14.230 5.754 -5.734 1.00 64.43 H new ATOM 0 HG21 VAL A 26 13.210 2.983 -5.196 1.00 72.42 H new ATOM 0 HG22 VAL A 26 13.726 4.099 -3.909 1.00 72.42 H new ATOM 0 HG23 VAL A 26 12.119 3.339 -3.837 1.00 72.42 H new ATOM 403 N ALA A 27 10.124 7.466 -5.443 1.00 73.52 N ATOM 404 CA ALA A 27 9.664 8.498 -6.371 1.00 62.12 C ATOM 405 C ALA A 27 9.369 9.839 -5.679 1.00 75.33 C ATOM 406 O ALA A 27 8.754 10.717 -6.283 1.00 74.35 O ATOM 407 CB ALA A 27 8.448 7.960 -7.132 1.00 74.32 C ATOM 0 H ALA A 27 9.373 6.862 -5.108 1.00 73.52 H new ATOM 0 HA ALA A 27 10.467 8.719 -7.074 1.00 62.12 H new ATOM 0 HB1 ALA A 27 8.091 8.718 -7.830 1.00 74.32 H new ATOM 0 HB2 ALA A 27 8.731 7.064 -7.683 1.00 74.32 H new ATOM 0 HB3 ALA A 27 7.655 7.716 -6.425 1.00 74.32 H new ATOM 413 N GLY A 28 9.757 9.991 -4.413 1.00 14.14 N ATOM 414 CA GLY A 28 9.621 11.227 -3.660 1.00 21.21 C ATOM 415 C GLY A 28 8.175 11.586 -3.319 1.00 15.04 C ATOM 416 O GLY A 28 7.847 12.765 -3.129 1.00 74.11 O ATOM 0 H GLY A 28 10.184 9.237 -3.874 1.00 14.14 H new ATOM 0 HA2 GLY A 28 10.192 11.143 -2.736 1.00 21.21 H new ATOM 0 HA3 GLY A 28 10.062 12.042 -4.234 1.00 21.21 H new ATOM 420 N LEU A 29 7.318 10.566 -3.268 1.00 55.25 N ATOM 421 CA LEU A 29 5.963 10.582 -2.745 1.00 24.32 C ATOM 422 C LEU A 29 6.069 10.487 -1.228 1.00 12.31 C ATOM 423 O LEU A 29 6.086 11.510 -0.539 1.00 74.44 O ATOM 424 CB LEU A 29 5.156 9.408 -3.344 1.00 32.32 C ATOM 425 CG LEU A 29 4.765 9.708 -4.801 1.00 75.31 C ATOM 426 CD1 LEU A 29 4.646 8.400 -5.573 1.00 72.43 C ATOM 427 CD2 LEU A 29 3.430 10.457 -4.876 1.00 2.01 C ATOM 0 H LEU A 29 7.577 9.643 -3.618 1.00 55.25 H new ATOM 0 HA LEU A 29 5.436 11.496 -3.017 1.00 24.32 H new ATOM 0 HB2 LEU A 29 5.748 8.494 -3.301 1.00 32.32 H new ATOM 0 HB3 LEU A 29 4.259 9.235 -2.749 1.00 32.32 H new ATOM 0 HG LEU A 29 5.540 10.338 -5.238 1.00 75.31 H new ATOM 0 HD11 LEU A 29 4.369 8.611 -6.606 1.00 72.43 H new ATOM 0 HD12 LEU A 29 5.602 7.878 -5.553 1.00 72.43 H new ATOM 0 HD13 LEU A 29 3.881 7.774 -5.113 1.00 72.43 H new ATOM 0 HD21 LEU A 29 3.182 10.654 -5.919 1.00 2.01 H new ATOM 0 HD22 LEU A 29 2.646 9.849 -4.425 1.00 2.01 H new ATOM 0 HD23 LEU A 29 3.512 11.401 -4.338 1.00 2.01 H new ATOM 439 N VAL A 30 6.199 9.271 -0.698 1.00 33.03 N ATOM 440 CA VAL A 30 6.115 8.998 0.737 1.00 54.51 C ATOM 441 C VAL A 30 7.383 8.364 1.296 1.00 15.24 C ATOM 442 O VAL A 30 8.223 7.860 0.546 1.00 31.00 O ATOM 443 CB VAL A 30 4.875 8.130 1.045 1.00 31.40 C ATOM 444 CG1 VAL A 30 3.654 9.024 1.206 1.00 20.22 C ATOM 445 CG2 VAL A 30 4.576 7.054 -0.009 1.00 52.12 C ATOM 0 H VAL A 30 6.368 8.437 -1.260 1.00 33.03 H new ATOM 0 HA VAL A 30 6.010 9.959 1.240 1.00 54.51 H new ATOM 0 HB VAL A 30 5.105 7.599 1.969 1.00 31.40 H new ATOM 0 HG11 VAL A 30 2.780 8.410 1.423 1.00 20.22 H new ATOM 0 HG12 VAL A 30 3.820 9.722 2.026 1.00 20.22 H new ATOM 0 HG13 VAL A 30 3.486 9.581 0.284 1.00 20.22 H new ATOM 0 HG21 VAL A 30 3.690 6.492 0.286 1.00 52.12 H new ATOM 0 HG22 VAL A 30 4.399 7.529 -0.974 1.00 52.12 H new ATOM 0 HG23 VAL A 30 5.426 6.376 -0.088 1.00 52.12 H new ATOM 455 N ALA A 31 7.469 8.367 2.630 1.00 12.33 N ATOM 456 CA ALA A 31 8.389 7.561 3.409 1.00 32.20 C ATOM 457 C ALA A 31 7.805 6.161 3.597 1.00 1.10 C ATOM 458 O ALA A 31 6.579 5.980 3.600 1.00 64.02 O ATOM 459 CB ALA A 31 8.593 8.220 4.776 1.00 21.20 C ATOM 0 H ALA A 31 6.873 8.957 3.211 1.00 12.33 H new ATOM 0 HA ALA A 31 9.345 7.485 2.891 1.00 32.20 H new ATOM 0 HB1 ALA A 31 9.284 7.621 5.369 1.00 21.20 H new ATOM 0 HB2 ALA A 31 9.005 9.220 4.640 1.00 21.20 H new ATOM 0 HB3 ALA A 31 7.636 8.289 5.293 1.00 21.20 H new ATOM 465 N HIS A 32 8.679 5.179 3.815 1.00 23.04 N ATOM 466 CA HIS A 32 8.277 3.783 3.914 1.00 40.22 C ATOM 467 C HIS A 32 7.614 3.439 5.255 1.00 32.22 C ATOM 468 O HIS A 32 6.993 2.378 5.345 1.00 23.42 O ATOM 469 CB HIS A 32 9.461 2.869 3.564 1.00 71.32 C ATOM 470 CG HIS A 32 10.535 2.729 4.616 1.00 41.31 C ATOM 471 ND1 HIS A 32 10.352 2.213 5.875 1.00 35.13 N ATOM 472 CD2 HIS A 32 11.883 2.927 4.452 1.00 42.51 C ATOM 473 CE1 HIS A 32 11.543 2.115 6.471 1.00 72.34 C ATOM 474 NE2 HIS A 32 12.523 2.506 5.632 1.00 42.22 N ATOM 0 H HIS A 32 9.681 5.331 3.927 1.00 23.04 H new ATOM 0 HA HIS A 32 7.493 3.605 3.178 1.00 40.22 H new ATOM 0 HB2 HIS A 32 9.071 1.876 3.339 1.00 71.32 H new ATOM 0 HB3 HIS A 32 9.924 3.244 2.651 1.00 71.32 H new ATOM 0 HD2 HIS A 32 12.366 3.333 3.575 1.00 42.51 H new ATOM 0 HE1 HIS A 32 11.699 1.771 7.483 1.00 72.34 H new ATOM 0 HE2 HIS A 32 13.526 2.498 5.816 1.00 42.22 H new ATOM 482 N SER A 33 7.704 4.317 6.260 1.00 40.25 N ATOM 483 CA SER A 33 7.114 4.169 7.593 1.00 55.41 C ATOM 484 C SER A 33 6.224 5.380 7.922 1.00 75.13 C ATOM 485 O SER A 33 6.187 5.875 9.049 1.00 4.24 O ATOM 486 CB SER A 33 8.212 3.974 8.646 1.00 75.14 C ATOM 487 OG SER A 33 9.134 2.972 8.280 1.00 75.13 O ATOM 0 H SER A 33 8.216 5.193 6.160 1.00 40.25 H new ATOM 0 HA SER A 33 6.483 3.280 7.604 1.00 55.41 H new ATOM 0 HB2 SER A 33 8.742 4.915 8.794 1.00 75.14 H new ATOM 0 HB3 SER A 33 7.755 3.712 9.600 1.00 75.14 H new ATOM 0 HG SER A 33 9.329 3.041 7.322 1.00 75.13 H new ATOM 493 N ASP A 34 5.527 5.912 6.914 1.00 74.44 N ATOM 494 CA ASP A 34 4.510 6.954 7.089 1.00 31.31 C ATOM 495 C ASP A 34 3.145 6.391 7.525 1.00 54.12 C ATOM 496 O ASP A 34 2.105 7.022 7.323 1.00 4.53 O ATOM 497 CB ASP A 34 4.356 7.763 5.794 1.00 11.43 C ATOM 498 CG ASP A 34 3.802 9.162 6.058 1.00 11.42 C ATOM 499 OD1 ASP A 34 3.601 9.579 7.225 1.00 0.40 O ATOM 500 OD2 ASP A 34 3.749 9.944 5.093 1.00 75.15 O ATOM 0 H ASP A 34 5.654 5.628 5.942 1.00 74.44 H new ATOM 0 HA ASP A 34 4.857 7.603 7.893 1.00 31.31 H new ATOM 0 HB2 ASP A 34 5.324 7.843 5.299 1.00 11.43 H new ATOM 0 HB3 ASP A 34 3.692 7.233 5.111 1.00 11.43 H new ATOM 505 N LEU A 35 3.094 5.140 7.985 1.00 64.13 N ATOM 506 CA LEU A 35 1.882 4.356 8.104 1.00 72.35 C ATOM 507 C LEU A 35 1.548 4.083 9.563 1.00 51.22 C ATOM 508 O LEU A 35 2.290 4.456 10.473 1.00 40.25 O ATOM 509 CB LEU A 35 2.059 3.055 7.310 1.00 2.21 C ATOM 510 CG LEU A 35 2.259 3.232 5.800 1.00 71.02 C ATOM 511 CD1 LEU A 35 1.128 4.037 5.150 1.00 72.15 C ATOM 512 CD2 LEU A 35 3.606 3.796 5.343 1.00 72.41 C ATOM 0 H LEU A 35 3.926 4.636 8.292 1.00 64.13 H new ATOM 0 HA LEU A 35 1.041 4.914 7.692 1.00 72.35 H new ATOM 0 HB2 LEU A 35 2.917 2.516 7.713 1.00 2.21 H new ATOM 0 HB3 LEU A 35 1.183 2.427 7.473 1.00 2.21 H new ATOM 0 HG LEU A 35 2.243 2.199 5.452 1.00 71.02 H new ATOM 0 HD11 LEU A 35 1.318 4.133 4.081 1.00 72.15 H new ATOM 0 HD12 LEU A 35 0.180 3.523 5.305 1.00 72.15 H new ATOM 0 HD13 LEU A 35 1.081 5.028 5.601 1.00 72.15 H new ATOM 0 HD21 LEU A 35 3.619 3.871 4.256 1.00 72.41 H new ATOM 0 HD22 LEU A 35 3.752 4.785 5.777 1.00 72.41 H new ATOM 0 HD23 LEU A 35 4.408 3.134 5.670 1.00 72.41 H new ATOM 524 N ASP A 36 0.415 3.417 9.771 1.00 13.14 N ATOM 525 CA ASP A 36 -0.079 3.022 11.081 1.00 14.30 C ATOM 526 C ASP A 36 -0.039 1.510 11.195 1.00 52.52 C ATOM 527 O ASP A 36 -0.090 0.810 10.186 1.00 22.33 O ATOM 528 CB ASP A 36 -1.527 3.488 11.269 1.00 75.21 C ATOM 529 CG ASP A 36 -1.609 4.992 11.485 1.00 60.25 C ATOM 530 OD1 ASP A 36 -1.090 5.447 12.531 1.00 33.33 O ATOM 531 OD2 ASP A 36 -2.196 5.696 10.632 1.00 3.51 O ATOM 0 H ASP A 36 -0.200 3.131 9.009 1.00 13.14 H new ATOM 0 HA ASP A 36 0.550 3.480 11.845 1.00 14.30 H new ATOM 0 HB2 ASP A 36 -2.115 3.213 10.393 1.00 75.21 H new ATOM 0 HB3 ASP A 36 -1.967 2.973 12.123 1.00 75.21 H new ATOM 536 N GLU A 37 -0.066 1.007 12.428 1.00 40.11 N ATOM 537 CA GLU A 37 -0.172 -0.426 12.735 1.00 62.13 C ATOM 538 C GLU A 37 -1.399 -1.009 12.028 1.00 41.20 C ATOM 539 O GLU A 37 -1.331 -2.054 11.383 1.00 0.33 O ATOM 540 CB GLU A 37 -0.316 -0.609 14.252 1.00 12.12 C ATOM 541 CG GLU A 37 -0.278 -2.069 14.731 1.00 72.41 C ATOM 542 CD GLU A 37 1.124 -2.513 15.154 1.00 2.34 C ATOM 543 OE1 GLU A 37 2.108 -2.221 14.430 1.00 74.11 O ATOM 544 OE2 GLU A 37 1.250 -3.172 16.210 1.00 14.33 O ATOM 0 H GLU A 37 -0.014 1.593 13.261 1.00 40.11 H new ATOM 0 HA GLU A 37 0.723 -0.943 12.389 1.00 62.13 H new ATOM 0 HB2 GLU A 37 0.483 -0.058 14.748 1.00 12.12 H new ATOM 0 HB3 GLU A 37 -1.257 -0.161 14.570 1.00 12.12 H new ATOM 0 HG2 GLU A 37 -0.962 -2.190 15.571 1.00 72.41 H new ATOM 0 HG3 GLU A 37 -0.636 -2.719 13.932 1.00 72.41 H new ATOM 551 N ARG A 38 -2.518 -0.283 12.119 1.00 54.42 N ATOM 552 CA ARG A 38 -3.786 -0.666 11.517 1.00 71.02 C ATOM 553 C ARG A 38 -3.665 -0.831 10.001 1.00 64.34 C ATOM 554 O ARG A 38 -4.459 -1.556 9.404 1.00 3.34 O ATOM 555 CB ARG A 38 -4.871 0.374 11.857 1.00 35.34 C ATOM 556 CG ARG A 38 -5.049 0.659 13.361 1.00 32.34 C ATOM 557 CD ARG A 38 -6.346 1.435 13.648 1.00 63.15 C ATOM 558 NE ARG A 38 -6.542 1.682 15.091 1.00 4.12 N ATOM 559 CZ ARG A 38 -6.544 2.860 15.729 1.00 62.31 C ATOM 560 NH1 ARG A 38 -6.337 4.007 15.085 1.00 73.31 N ATOM 561 NH2 ARG A 38 -6.707 2.886 17.045 1.00 44.14 N ATOM 0 H ARG A 38 -2.562 0.602 12.624 1.00 54.42 H new ATOM 0 HA ARG A 38 -4.073 -1.632 11.932 1.00 71.02 H new ATOM 0 HB2 ARG A 38 -4.629 1.309 11.351 1.00 35.34 H new ATOM 0 HB3 ARG A 38 -5.823 0.030 11.452 1.00 35.34 H new ATOM 0 HG2 ARG A 38 -5.060 -0.283 13.910 1.00 32.34 H new ATOM 0 HG3 ARG A 38 -4.196 1.231 13.726 1.00 32.34 H new ATOM 0 HD2 ARG A 38 -6.322 2.387 13.118 1.00 63.15 H new ATOM 0 HD3 ARG A 38 -7.196 0.875 13.258 1.00 63.15 H new ATOM 0 HE ARG A 38 -6.694 0.857 15.671 1.00 4.12 H new ATOM 0 HH11 ARG A 38 -6.171 4.004 14.079 1.00 73.31 H new ATOM 0 HH12 ARG A 38 -6.344 4.889 15.598 1.00 73.31 H new ATOM 0 HH21 ARG A 38 -6.829 2.015 17.561 1.00 44.14 H new ATOM 0 HH22 ARG A 38 -6.710 3.777 17.541 1.00 44.14 H new ATOM 575 N ALA A 39 -2.714 -0.154 9.352 1.00 1.23 N ATOM 576 CA ALA A 39 -2.479 -0.308 7.926 1.00 41.11 C ATOM 577 C ALA A 39 -1.722 -1.616 7.669 1.00 33.11 C ATOM 578 O ALA A 39 -2.087 -2.359 6.755 1.00 72.04 O ATOM 579 CB ALA A 39 -1.728 0.919 7.386 1.00 32.34 C ATOM 0 H ALA A 39 -2.090 0.513 9.805 1.00 1.23 H new ATOM 0 HA ALA A 39 -3.427 -0.367 7.392 1.00 41.11 H new ATOM 0 HB1 ALA A 39 -1.555 0.798 6.317 1.00 32.34 H new ATOM 0 HB2 ALA A 39 -2.324 1.815 7.558 1.00 32.34 H new ATOM 0 HB3 ALA A 39 -0.772 1.015 7.900 1.00 32.34 H new ATOM 585 N ILE A 40 -0.681 -1.907 8.457 1.00 51.23 N ATOM 586 CA ILE A 40 0.135 -3.115 8.321 1.00 22.44 C ATOM 587 C ILE A 40 -0.757 -4.349 8.463 1.00 33.44 C ATOM 588 O ILE A 40 -0.574 -5.309 7.707 1.00 23.45 O ATOM 589 CB ILE A 40 1.287 -3.154 9.356 1.00 12.23 C ATOM 590 CG1 ILE A 40 2.025 -1.817 9.566 1.00 22.23 C ATOM 591 CG2 ILE A 40 2.318 -4.234 8.981 1.00 41.21 C ATOM 592 CD1 ILE A 40 2.526 -1.112 8.303 1.00 55.23 C ATOM 0 H ILE A 40 -0.379 -1.299 9.218 1.00 51.23 H new ATOM 0 HA ILE A 40 0.595 -3.107 7.333 1.00 22.44 H new ATOM 0 HB ILE A 40 0.794 -3.386 10.300 1.00 12.23 H new ATOM 0 HG12 ILE A 40 1.357 -1.137 10.095 1.00 22.23 H new ATOM 0 HG13 ILE A 40 2.879 -1.997 10.219 1.00 22.23 H new ATOM 0 HG21 ILE A 40 3.119 -4.245 9.720 1.00 41.21 H new ATOM 0 HG22 ILE A 40 1.832 -5.209 8.958 1.00 41.21 H new ATOM 0 HG23 ILE A 40 2.735 -4.014 7.998 1.00 41.21 H new ATOM 0 HD11 ILE A 40 3.027 -0.184 8.579 1.00 55.23 H new ATOM 0 HD12 ILE A 40 3.227 -1.761 7.778 1.00 55.23 H new ATOM 0 HD13 ILE A 40 1.681 -0.888 7.652 1.00 55.23 H new ATOM 604 N GLU A 41 -1.724 -4.340 9.394 1.00 72.03 N ATOM 605 CA GLU A 41 -2.563 -5.519 9.591 1.00 42.14 C ATOM 606 C GLU A 41 -3.368 -5.815 8.318 1.00 35.12 C ATOM 607 O GLU A 41 -3.542 -6.980 7.956 1.00 21.35 O ATOM 608 CB GLU A 41 -3.472 -5.404 10.839 1.00 12.53 C ATOM 609 CG GLU A 41 -4.916 -4.908 10.602 1.00 24.42 C ATOM 610 CD GLU A 41 -5.752 -4.755 11.882 1.00 60.44 C ATOM 611 OE1 GLU A 41 -5.428 -5.343 12.942 1.00 55.31 O ATOM 612 OE2 GLU A 41 -6.823 -4.106 11.824 1.00 55.31 O ATOM 0 H GLU A 41 -1.936 -3.550 10.004 1.00 72.03 H new ATOM 0 HA GLU A 41 -1.903 -6.365 9.785 1.00 42.14 H new ATOM 0 HB2 GLU A 41 -3.522 -6.383 11.315 1.00 12.53 H new ATOM 0 HB3 GLU A 41 -2.993 -4.729 11.548 1.00 12.53 H new ATOM 0 HG2 GLU A 41 -4.878 -3.946 10.090 1.00 24.42 H new ATOM 0 HG3 GLU A 41 -5.422 -5.605 9.933 1.00 24.42 H new ATOM 619 N ALA A 42 -3.845 -4.760 7.649 1.00 42.50 N ATOM 620 CA ALA A 42 -4.737 -4.843 6.508 1.00 51.22 C ATOM 621 C ALA A 42 -4.004 -5.332 5.256 1.00 4.42 C ATOM 622 O ALA A 42 -4.591 -6.062 4.463 1.00 3.33 O ATOM 623 CB ALA A 42 -5.387 -3.475 6.286 1.00 51.20 C ATOM 0 H ALA A 42 -3.609 -3.800 7.901 1.00 42.50 H new ATOM 0 HA ALA A 42 -5.516 -5.578 6.713 1.00 51.22 H new ATOM 0 HB1 ALA A 42 -6.060 -3.526 5.430 1.00 51.20 H new ATOM 0 HB2 ALA A 42 -5.951 -3.192 7.175 1.00 51.20 H new ATOM 0 HB3 ALA A 42 -4.613 -2.731 6.095 1.00 51.20 H new ATOM 629 N LEU A 43 -2.720 -4.994 5.077 1.00 33.43 N ATOM 630 CA LEU A 43 -1.930 -5.459 3.937 1.00 22.31 C ATOM 631 C LEU A 43 -1.899 -6.985 3.820 1.00 54.14 C ATOM 632 O LEU A 43 -2.092 -7.544 2.735 1.00 33.24 O ATOM 633 CB LEU A 43 -0.500 -4.892 4.037 1.00 62.41 C ATOM 634 CG LEU A 43 -0.259 -3.847 2.947 1.00 43.31 C ATOM 635 CD1 LEU A 43 1.087 -3.156 3.163 1.00 74.20 C ATOM 636 CD2 LEU A 43 -0.326 -4.359 1.494 1.00 74.02 C ATOM 0 H LEU A 43 -2.204 -4.392 5.719 1.00 33.43 H new ATOM 0 HA LEU A 43 -2.411 -5.092 3.031 1.00 22.31 H new ATOM 0 HB2 LEU A 43 -0.349 -4.443 5.019 1.00 62.41 H new ATOM 0 HB3 LEU A 43 0.225 -5.700 3.941 1.00 62.41 H new ATOM 0 HG LEU A 43 -1.094 -3.155 3.055 1.00 43.31 H new ATOM 0 HD11 LEU A 43 1.245 -2.415 2.380 1.00 74.20 H new ATOM 0 HD12 LEU A 43 1.091 -2.663 4.135 1.00 74.20 H new ATOM 0 HD13 LEU A 43 1.886 -3.897 3.128 1.00 74.20 H new ATOM 0 HD21 LEU A 43 -0.140 -3.533 0.808 1.00 74.02 H new ATOM 0 HD22 LEU A 43 0.429 -5.131 1.345 1.00 74.02 H new ATOM 0 HD23 LEU A 43 -1.314 -4.776 1.300 1.00 74.02 H new ATOM 648 N LYS A 44 -1.663 -7.665 4.943 1.00 53.22 N ATOM 649 CA LYS A 44 -1.608 -9.125 4.989 1.00 32.02 C ATOM 650 C LYS A 44 -2.984 -9.755 4.746 1.00 13.51 C ATOM 651 O LYS A 44 -3.060 -10.906 4.325 1.00 12.45 O ATOM 652 CB LYS A 44 -1.031 -9.577 6.343 1.00 52.32 C ATOM 653 CG LYS A 44 0.498 -9.742 6.341 1.00 13.52 C ATOM 654 CD LYS A 44 1.314 -8.445 6.485 1.00 60.03 C ATOM 655 CE LYS A 44 1.727 -8.114 7.927 1.00 54.24 C ATOM 656 NZ LYS A 44 0.612 -7.680 8.790 1.00 64.40 N ATOM 0 H LYS A 44 -1.505 -7.218 5.846 1.00 53.22 H new ATOM 0 HA LYS A 44 -0.955 -9.468 4.186 1.00 32.02 H new ATOM 0 HB2 LYS A 44 -1.308 -8.850 7.106 1.00 52.32 H new ATOM 0 HB3 LYS A 44 -1.489 -10.525 6.625 1.00 52.32 H new ATOM 0 HG2 LYS A 44 0.773 -10.413 7.154 1.00 13.52 H new ATOM 0 HG3 LYS A 44 0.790 -10.231 5.412 1.00 13.52 H new ATOM 0 HD2 LYS A 44 2.212 -8.524 5.872 1.00 60.03 H new ATOM 0 HD3 LYS A 44 0.729 -7.616 6.088 1.00 60.03 H new ATOM 0 HE2 LYS A 44 2.194 -8.993 8.370 1.00 54.24 H new ATOM 0 HE3 LYS A 44 2.482 -7.329 7.906 1.00 54.24 H new ATOM 0 HZ1 LYS A 44 0.971 -7.476 9.744 1.00 64.40 H new ATOM 0 HZ2 LYS A 44 0.179 -6.822 8.392 1.00 64.40 H new ATOM 0 HZ3 LYS A 44 -0.101 -8.436 8.843 1.00 64.40 H new ATOM 670 N GLU A 45 -4.074 -9.022 4.985 1.00 2.41 N ATOM 671 CA GLU A 45 -5.428 -9.525 4.799 1.00 43.50 C ATOM 672 C GLU A 45 -5.845 -9.600 3.328 1.00 60.32 C ATOM 673 O GLU A 45 -6.856 -10.238 3.031 1.00 32.41 O ATOM 674 CB GLU A 45 -6.403 -8.648 5.600 1.00 32.44 C ATOM 675 CG GLU A 45 -6.497 -9.080 7.069 1.00 2.33 C ATOM 676 CD GLU A 45 -7.380 -10.327 7.222 1.00 64.00 C ATOM 677 OE1 GLU A 45 -8.533 -10.314 6.730 1.00 32.25 O ATOM 678 OE2 GLU A 45 -6.944 -11.321 7.846 1.00 72.04 O ATOM 0 H GLU A 45 -4.037 -8.058 5.315 1.00 2.41 H new ATOM 0 HA GLU A 45 -5.455 -10.550 5.168 1.00 43.50 H new ATOM 0 HB2 GLU A 45 -6.080 -7.608 5.549 1.00 32.44 H new ATOM 0 HB3 GLU A 45 -7.392 -8.697 5.144 1.00 32.44 H new ATOM 0 HG2 GLU A 45 -5.499 -9.287 7.455 1.00 2.33 H new ATOM 0 HG3 GLU A 45 -6.907 -8.265 7.666 1.00 2.33 H new ATOM 685 N PHE A 46 -5.099 -8.999 2.400 1.00 11.14 N ATOM 686 CA PHE A 46 -5.349 -9.147 0.978 1.00 33.05 C ATOM 687 C PHE A 46 -4.587 -10.356 0.445 1.00 51.24 C ATOM 688 O PHE A 46 -3.673 -10.890 1.079 1.00 2.32 O ATOM 689 CB PHE A 46 -4.980 -7.857 0.239 1.00 0.11 C ATOM 690 CG PHE A 46 -5.939 -6.722 0.534 1.00 14.35 C ATOM 691 CD1 PHE A 46 -7.211 -6.702 -0.068 1.00 74.00 C ATOM 692 CD2 PHE A 46 -5.593 -5.717 1.453 1.00 14.41 C ATOM 693 CE1 PHE A 46 -8.125 -5.678 0.232 1.00 71.10 C ATOM 694 CE2 PHE A 46 -6.506 -4.689 1.749 1.00 63.02 C ATOM 695 CZ PHE A 46 -7.772 -4.663 1.136 1.00 60.43 C ATOM 0 H PHE A 46 -4.306 -8.397 2.620 1.00 11.14 H new ATOM 0 HA PHE A 46 -6.411 -9.323 0.806 1.00 33.05 H new ATOM 0 HB2 PHE A 46 -3.971 -7.557 0.521 1.00 0.11 H new ATOM 0 HB3 PHE A 46 -4.968 -8.048 -0.834 1.00 0.11 H new ATOM 0 HD1 PHE A 46 -7.486 -7.479 -0.765 1.00 74.00 H new ATOM 0 HD2 PHE A 46 -4.625 -5.734 1.932 1.00 14.41 H new ATOM 0 HE1 PHE A 46 -9.100 -5.671 -0.233 1.00 71.10 H new ATOM 0 HE2 PHE A 46 -6.234 -3.915 2.451 1.00 63.02 H new ATOM 0 HZ PHE A 46 -8.468 -3.868 1.359 1.00 60.43 H new ATOM 705 N ASN A 47 -4.975 -10.787 -0.746 1.00 75.44 N ATOM 706 CA ASN A 47 -4.269 -11.778 -1.559 1.00 13.44 C ATOM 707 C ASN A 47 -3.496 -11.073 -2.653 1.00 23.13 C ATOM 708 O ASN A 47 -3.509 -9.847 -2.721 1.00 62.43 O ATOM 709 CB ASN A 47 -5.235 -12.782 -2.196 1.00 15.44 C ATOM 710 CG ASN A 47 -6.174 -12.165 -3.213 1.00 15.12 C ATOM 711 OD1 ASN A 47 -5.871 -12.144 -4.398 1.00 31.34 O ATOM 712 ND2 ASN A 47 -7.318 -11.666 -2.786 1.00 35.23 N ATOM 0 H ASN A 47 -5.825 -10.445 -1.195 1.00 75.44 H new ATOM 0 HA ASN A 47 -3.592 -12.326 -0.904 1.00 13.44 H new ATOM 0 HB2 ASN A 47 -4.658 -13.571 -2.679 1.00 15.44 H new ATOM 0 HB3 ASN A 47 -5.825 -13.254 -1.410 1.00 15.44 H new ATOM 0 HD21 ASN A 47 -7.972 -11.251 -3.449 1.00 35.23 H new ATOM 0 HD22 ASN A 47 -7.548 -11.695 -1.793 1.00 35.23 H new ATOM 719 N GLU A 48 -2.870 -11.855 -3.528 1.00 40.13 N ATOM 720 CA GLU A 48 -2.104 -11.401 -4.653 1.00 62.24 C ATOM 721 C GLU A 48 -2.819 -10.314 -5.450 1.00 42.42 C ATOM 722 O GLU A 48 -2.278 -9.218 -5.608 1.00 12.24 O ATOM 723 CB GLU A 48 -1.769 -12.611 -5.539 1.00 41.13 C ATOM 724 CG GLU A 48 -0.645 -12.195 -6.480 1.00 54.40 C ATOM 725 CD GLU A 48 -0.681 -12.879 -7.842 1.00 72.21 C ATOM 726 OE1 GLU A 48 -0.393 -14.090 -7.927 1.00 43.04 O ATOM 727 OE2 GLU A 48 -1.002 -12.218 -8.857 1.00 54.24 O ATOM 0 H GLU A 48 -2.893 -12.872 -3.455 1.00 40.13 H new ATOM 0 HA GLU A 48 -1.186 -10.943 -4.285 1.00 62.24 H new ATOM 0 HB2 GLU A 48 -1.462 -13.460 -4.928 1.00 41.13 H new ATOM 0 HB3 GLU A 48 -2.646 -12.926 -6.105 1.00 41.13 H new ATOM 0 HG2 GLU A 48 -0.691 -11.116 -6.627 1.00 54.40 H new ATOM 0 HG3 GLU A 48 0.311 -12.411 -6.003 1.00 54.40 H new ATOM 734 N ASP A 49 -4.013 -10.637 -5.949 1.00 51.42 N ATOM 735 CA ASP A 49 -4.825 -9.742 -6.760 1.00 33.51 C ATOM 736 C ASP A 49 -5.228 -8.560 -5.901 1.00 33.13 C ATOM 737 O ASP A 49 -5.092 -7.424 -6.346 1.00 73.22 O ATOM 738 CB ASP A 49 -6.069 -10.480 -7.262 1.00 62.12 C ATOM 739 CG ASP A 49 -7.053 -9.608 -8.036 1.00 42.02 C ATOM 740 OD1 ASP A 49 -7.639 -8.666 -7.461 1.00 51.34 O ATOM 741 OD2 ASP A 49 -7.311 -9.905 -9.223 1.00 60.34 O ATOM 0 H ASP A 49 -4.447 -11.547 -5.795 1.00 51.42 H new ATOM 0 HA ASP A 49 -4.259 -9.397 -7.625 1.00 33.51 H new ATOM 0 HB2 ASP A 49 -5.753 -11.305 -7.901 1.00 62.12 H new ATOM 0 HB3 ASP A 49 -6.585 -10.918 -6.408 1.00 62.12 H new ATOM 746 N GLY A 50 -5.687 -8.825 -4.669 1.00 60.13 N ATOM 747 CA GLY A 50 -6.204 -7.768 -3.824 1.00 44.00 C ATOM 748 C GLY A 50 -5.154 -6.693 -3.578 1.00 3.31 C ATOM 749 O GLY A 50 -5.409 -5.513 -3.806 1.00 62.23 O ATOM 0 H GLY A 50 -5.706 -9.755 -4.250 1.00 60.13 H new ATOM 0 HA2 GLY A 50 -7.082 -7.322 -4.292 1.00 44.00 H new ATOM 0 HA3 GLY A 50 -6.529 -8.187 -2.872 1.00 44.00 H new ATOM 753 N ALA A 51 -3.967 -7.097 -3.126 1.00 13.22 N ATOM 754 CA ALA A 51 -2.866 -6.195 -2.847 1.00 2.12 C ATOM 755 C ALA A 51 -2.447 -5.437 -4.110 1.00 0.15 C ATOM 756 O ALA A 51 -2.267 -4.223 -4.056 1.00 43.30 O ATOM 757 CB ALA A 51 -1.700 -6.990 -2.255 1.00 40.20 C ATOM 0 H ALA A 51 -3.747 -8.076 -2.943 1.00 13.22 H new ATOM 0 HA ALA A 51 -3.185 -5.449 -2.119 1.00 2.12 H new ATOM 0 HB1 ALA A 51 -0.870 -6.316 -2.044 1.00 40.20 H new ATOM 0 HB2 ALA A 51 -2.020 -7.472 -1.331 1.00 40.20 H new ATOM 0 HB3 ALA A 51 -1.378 -7.749 -2.968 1.00 40.20 H new ATOM 763 N LEU A 52 -2.301 -6.125 -5.247 1.00 14.41 N ATOM 764 CA LEU A 52 -1.911 -5.482 -6.503 1.00 0.45 C ATOM 765 C LEU A 52 -2.945 -4.447 -6.937 1.00 75.34 C ATOM 766 O LEU A 52 -2.562 -3.376 -7.413 1.00 60.51 O ATOM 767 CB LEU A 52 -1.734 -6.525 -7.613 1.00 1.05 C ATOM 768 CG LEU A 52 -0.450 -7.351 -7.479 1.00 42.01 C ATOM 769 CD1 LEU A 52 -0.493 -8.534 -8.450 1.00 35.12 C ATOM 770 CD2 LEU A 52 0.828 -6.547 -7.734 1.00 2.14 C ATOM 0 H LEU A 52 -2.448 -7.132 -5.322 1.00 14.41 H new ATOM 0 HA LEU A 52 -0.961 -4.976 -6.331 1.00 0.45 H new ATOM 0 HB2 LEU A 52 -2.591 -7.198 -7.608 1.00 1.05 H new ATOM 0 HB3 LEU A 52 -1.732 -6.019 -8.579 1.00 1.05 H new ATOM 0 HG LEU A 52 -0.414 -7.691 -6.444 1.00 42.01 H new ATOM 0 HD11 LEU A 52 0.422 -9.119 -8.352 1.00 35.12 H new ATOM 0 HD12 LEU A 52 -1.353 -9.163 -8.219 1.00 35.12 H new ATOM 0 HD13 LEU A 52 -0.579 -8.163 -9.471 1.00 35.12 H new ATOM 0 HD21 LEU A 52 1.696 -7.197 -7.621 1.00 2.14 H new ATOM 0 HD22 LEU A 52 0.807 -6.142 -8.746 1.00 2.14 H new ATOM 0 HD23 LEU A 52 0.892 -5.729 -7.017 1.00 2.14 H new ATOM 782 N ALA A 53 -4.238 -4.742 -6.776 1.00 31.45 N ATOM 783 CA ALA A 53 -5.303 -3.813 -7.119 1.00 74.10 C ATOM 784 C ALA A 53 -5.269 -2.571 -6.228 1.00 42.12 C ATOM 785 O ALA A 53 -5.451 -1.452 -6.718 1.00 22.45 O ATOM 786 CB ALA A 53 -6.653 -4.521 -7.013 1.00 14.12 C ATOM 0 H ALA A 53 -4.569 -5.632 -6.404 1.00 31.45 H new ATOM 0 HA ALA A 53 -5.154 -3.478 -8.145 1.00 74.10 H new ATOM 0 HB1 ALA A 53 -7.451 -3.824 -7.270 1.00 14.12 H new ATOM 0 HB2 ALA A 53 -6.675 -5.367 -7.700 1.00 14.12 H new ATOM 0 HB3 ALA A 53 -6.798 -4.878 -5.993 1.00 14.12 H new ATOM 792 N VAL A 54 -5.021 -2.760 -4.930 1.00 15.45 N ATOM 793 CA VAL A 54 -4.867 -1.673 -3.972 1.00 44.34 C ATOM 794 C VAL A 54 -3.700 -0.768 -4.399 1.00 62.30 C ATOM 795 O VAL A 54 -3.815 0.458 -4.333 1.00 33.42 O ATOM 796 CB VAL A 54 -4.711 -2.254 -2.544 1.00 63.13 C ATOM 797 CG1 VAL A 54 -4.402 -1.153 -1.540 1.00 14.23 C ATOM 798 CG2 VAL A 54 -6.004 -2.925 -2.044 1.00 62.14 C ATOM 0 H VAL A 54 -4.921 -3.686 -4.514 1.00 15.45 H new ATOM 0 HA VAL A 54 -5.757 -1.045 -3.956 1.00 44.34 H new ATOM 0 HB VAL A 54 -3.902 -2.981 -2.613 1.00 63.13 H new ATOM 0 HG11 VAL A 54 -4.297 -1.586 -0.545 1.00 14.23 H new ATOM 0 HG12 VAL A 54 -3.473 -0.656 -1.819 1.00 14.23 H new ATOM 0 HG13 VAL A 54 -5.214 -0.426 -1.535 1.00 14.23 H new ATOM 0 HG21 VAL A 54 -5.846 -3.317 -1.039 1.00 62.14 H new ATOM 0 HG22 VAL A 54 -6.810 -2.192 -2.025 1.00 62.14 H new ATOM 0 HG23 VAL A 54 -6.273 -3.742 -2.714 1.00 62.14 H new ATOM 808 N LEU A 55 -2.586 -1.350 -4.854 1.00 61.41 N ATOM 809 CA LEU A 55 -1.372 -0.607 -5.180 1.00 3.12 C ATOM 810 C LEU A 55 -1.560 0.178 -6.462 1.00 20.53 C ATOM 811 O LEU A 55 -1.131 1.331 -6.528 1.00 33.10 O ATOM 812 CB LEU A 55 -0.147 -1.520 -5.361 1.00 71.13 C ATOM 813 CG LEU A 55 0.471 -2.105 -4.081 1.00 12.05 C ATOM 814 CD1 LEU A 55 1.877 -2.604 -4.430 1.00 0.15 C ATOM 815 CD2 LEU A 55 0.559 -1.109 -2.919 1.00 64.11 C ATOM 0 H LEU A 55 -2.504 -2.355 -5.006 1.00 61.41 H new ATOM 0 HA LEU A 55 -1.191 0.059 -4.336 1.00 3.12 H new ATOM 0 HB2 LEU A 55 -0.432 -2.348 -6.011 1.00 71.13 H new ATOM 0 HB3 LEU A 55 0.624 -0.955 -5.884 1.00 71.13 H new ATOM 0 HG LEU A 55 -0.181 -2.907 -3.737 1.00 12.05 H new ATOM 0 HD11 LEU A 55 2.344 -3.026 -3.540 1.00 0.15 H new ATOM 0 HD12 LEU A 55 1.810 -3.370 -5.203 1.00 0.15 H new ATOM 0 HD13 LEU A 55 2.478 -1.771 -4.795 1.00 0.15 H new ATOM 0 HD21 LEU A 55 1.006 -1.598 -2.054 1.00 64.11 H new ATOM 0 HD22 LEU A 55 1.175 -0.259 -3.214 1.00 64.11 H new ATOM 0 HD23 LEU A 55 -0.441 -0.760 -2.662 1.00 64.11 H new ATOM 827 N GLN A 56 -2.195 -0.436 -7.464 1.00 14.25 N ATOM 828 CA GLN A 56 -2.527 0.229 -8.710 1.00 0.01 C ATOM 829 C GLN A 56 -3.330 1.485 -8.394 1.00 2.40 C ATOM 830 O GLN A 56 -2.982 2.568 -8.864 1.00 24.43 O ATOM 831 CB GLN A 56 -3.313 -0.728 -9.619 1.00 12.24 C ATOM 832 CG GLN A 56 -3.719 -0.055 -10.935 1.00 41.00 C ATOM 833 CD GLN A 56 -4.528 -1.016 -11.796 1.00 0.33 C ATOM 834 OE1 GLN A 56 -3.980 -1.878 -12.479 1.00 35.45 O ATOM 835 NE2 GLN A 56 -5.846 -0.899 -11.803 1.00 53.22 N ATOM 0 H GLN A 56 -2.491 -1.411 -7.426 1.00 14.25 H new ATOM 0 HA GLN A 56 -1.620 0.517 -9.241 1.00 0.01 H new ATOM 0 HB2 GLN A 56 -2.706 -1.608 -9.832 1.00 12.24 H new ATOM 0 HB3 GLN A 56 -4.205 -1.075 -9.097 1.00 12.24 H new ATOM 0 HG2 GLN A 56 -4.306 0.839 -10.727 1.00 41.00 H new ATOM 0 HG3 GLN A 56 -2.829 0.267 -11.476 1.00 41.00 H new ATOM 0 HE21 GLN A 56 -6.297 -0.182 -11.235 1.00 53.22 H new ATOM 0 HE22 GLN A 56 -6.411 -1.526 -12.377 1.00 53.22 H new ATOM 844 N GLN A 57 -4.403 1.343 -7.606 1.00 62.43 N ATOM 845 CA GLN A 57 -5.293 2.481 -7.402 1.00 14.30 C ATOM 846 C GLN A 57 -4.584 3.570 -6.594 1.00 42.35 C ATOM 847 O GLN A 57 -4.821 4.750 -6.842 1.00 60.41 O ATOM 848 CB GLN A 57 -6.608 2.048 -6.740 1.00 13.31 C ATOM 849 CG GLN A 57 -7.715 3.098 -6.951 1.00 3.01 C ATOM 850 CD GLN A 57 -8.960 2.858 -6.099 1.00 0.23 C ATOM 851 OE1 GLN A 57 -9.330 3.699 -5.277 1.00 2.01 O ATOM 852 NE2 GLN A 57 -9.612 1.718 -6.256 1.00 32.14 N ATOM 0 H GLN A 57 -4.665 0.486 -7.119 1.00 62.43 H new ATOM 0 HA GLN A 57 -5.550 2.897 -8.376 1.00 14.30 H new ATOM 0 HB2 GLN A 57 -6.928 1.092 -7.154 1.00 13.31 H new ATOM 0 HB3 GLN A 57 -6.447 1.896 -5.673 1.00 13.31 H new ATOM 0 HG2 GLN A 57 -7.315 4.086 -6.723 1.00 3.01 H new ATOM 0 HG3 GLN A 57 -8.001 3.105 -8.003 1.00 3.01 H new ATOM 0 HE21 GLN A 57 -9.289 1.036 -6.942 1.00 32.14 H new ATOM 0 HE22 GLN A 57 -10.438 1.521 -5.691 1.00 32.14 H new ATOM 861 N PHE A 58 -3.712 3.184 -5.657 1.00 23.41 N ATOM 862 CA PHE A 58 -2.944 4.127 -4.856 1.00 11.04 C ATOM 863 C PHE A 58 -1.974 4.909 -5.746 1.00 32.20 C ATOM 864 O PHE A 58 -2.010 6.140 -5.736 1.00 4.14 O ATOM 865 CB PHE A 58 -2.226 3.418 -3.699 1.00 52.22 C ATOM 866 CG PHE A 58 -1.536 4.364 -2.725 1.00 43.33 C ATOM 867 CD1 PHE A 58 -2.237 4.896 -1.623 1.00 42.45 C ATOM 868 CD2 PHE A 58 -0.186 4.720 -2.914 1.00 63.42 C ATOM 869 CE1 PHE A 58 -1.581 5.727 -0.695 1.00 55.25 C ATOM 870 CE2 PHE A 58 0.461 5.566 -1.995 1.00 40.23 C ATOM 871 CZ PHE A 58 -0.226 6.051 -0.872 1.00 2.32 C ATOM 0 H PHE A 58 -3.523 2.206 -5.437 1.00 23.41 H new ATOM 0 HA PHE A 58 -3.630 4.843 -4.404 1.00 11.04 H new ATOM 0 HB2 PHE A 58 -2.950 2.814 -3.152 1.00 52.22 H new ATOM 0 HB3 PHE A 58 -1.485 2.733 -4.110 1.00 52.22 H new ATOM 0 HD1 PHE A 58 -3.284 4.665 -1.490 1.00 42.45 H new ATOM 0 HD2 PHE A 58 0.355 4.341 -3.769 1.00 63.42 H new ATOM 0 HE1 PHE A 58 -2.121 6.116 0.155 1.00 55.25 H new ATOM 0 HE2 PHE A 58 1.492 5.844 -2.155 1.00 40.23 H new ATOM 0 HZ PHE A 58 0.284 6.670 -0.148 1.00 2.32 H new ATOM 881 N LYS A 59 -1.127 4.233 -6.535 1.00 75.11 N ATOM 882 CA LYS A 59 -0.180 4.930 -7.404 1.00 34.24 C ATOM 883 C LYS A 59 -0.926 5.885 -8.328 1.00 41.01 C ATOM 884 O LYS A 59 -0.492 7.020 -8.491 1.00 60.22 O ATOM 885 CB LYS A 59 0.691 3.949 -8.205 1.00 75.21 C ATOM 886 CG LYS A 59 2.017 4.601 -8.645 1.00 33.11 C ATOM 887 CD LYS A 59 3.062 4.602 -7.513 1.00 42.14 C ATOM 888 CE LYS A 59 3.748 5.947 -7.246 1.00 34.43 C ATOM 889 NZ LYS A 59 4.529 6.449 -8.397 1.00 41.23 N ATOM 0 H LYS A 59 -1.081 3.215 -6.587 1.00 75.11 H new ATOM 0 HA LYS A 59 0.495 5.508 -6.773 1.00 34.24 H new ATOM 0 HB2 LYS A 59 0.901 3.068 -7.598 1.00 75.21 H new ATOM 0 HB3 LYS A 59 0.143 3.608 -9.083 1.00 75.21 H new ATOM 0 HG2 LYS A 59 2.416 4.066 -9.507 1.00 33.11 H new ATOM 0 HG3 LYS A 59 1.829 5.626 -8.966 1.00 33.11 H new ATOM 0 HD2 LYS A 59 2.576 4.273 -6.594 1.00 42.14 H new ATOM 0 HD3 LYS A 59 3.829 3.864 -7.750 1.00 42.14 H new ATOM 0 HE2 LYS A 59 2.991 6.685 -6.981 1.00 34.43 H new ATOM 0 HE3 LYS A 59 4.409 5.844 -6.385 1.00 34.43 H new ATOM 0 HZ1 LYS A 59 5.125 7.245 -8.092 1.00 41.23 H new ATOM 0 HZ2 LYS A 59 5.132 5.686 -8.766 1.00 41.23 H new ATOM 0 HZ3 LYS A 59 3.880 6.769 -9.144 1.00 41.23 H new ATOM 903 N ASP A 60 -2.062 5.459 -8.878 1.00 3.23 N ATOM 904 CA ASP A 60 -2.809 6.245 -9.850 1.00 34.41 C ATOM 905 C ASP A 60 -3.821 7.197 -9.192 1.00 35.44 C ATOM 906 O ASP A 60 -4.761 7.628 -9.862 1.00 15.21 O ATOM 907 CB ASP A 60 -3.459 5.297 -10.878 1.00 13.21 C ATOM 908 CG ASP A 60 -3.360 5.880 -12.287 1.00 72.44 C ATOM 909 OD1 ASP A 60 -4.179 6.741 -12.671 1.00 4.11 O ATOM 910 OD2 ASP A 60 -2.437 5.464 -13.027 1.00 61.54 O ATOM 0 H ASP A 60 -2.488 4.558 -8.660 1.00 3.23 H new ATOM 0 HA ASP A 60 -2.115 6.901 -10.375 1.00 34.41 H new ATOM 0 HB2 ASP A 60 -2.967 4.325 -10.846 1.00 13.21 H new ATOM 0 HB3 ASP A 60 -4.505 5.134 -10.619 1.00 13.21 H new ATOM 915 N SER A 61 -3.733 7.488 -7.886 1.00 42.42 N ATOM 916 CA SER A 61 -4.679 8.379 -7.207 1.00 43.11 C ATOM 917 C SER A 61 -4.134 9.793 -7.040 1.00 34.44 C ATOM 918 O SER A 61 -2.939 10.070 -7.141 1.00 64.31 O ATOM 919 CB SER A 61 -5.097 7.835 -5.837 1.00 75.21 C ATOM 920 OG SER A 61 -6.499 7.663 -5.783 1.00 12.44 O ATOM 0 H SER A 61 -3.007 7.113 -7.275 1.00 42.42 H new ATOM 0 HA SER A 61 -5.554 8.421 -7.855 1.00 43.11 H new ATOM 0 HB2 SER A 61 -4.600 6.883 -5.649 1.00 75.21 H new ATOM 0 HB3 SER A 61 -4.778 8.522 -5.053 1.00 75.21 H new ATOM 0 HG SER A 61 -6.752 7.313 -4.903 1.00 12.44 H new ATOM 926 N ASP A 62 -5.061 10.684 -6.707 1.00 3.42 N ATOM 927 CA ASP A 62 -4.790 12.101 -6.526 1.00 1.14 C ATOM 928 C ASP A 62 -4.382 12.382 -5.086 1.00 22.43 C ATOM 929 O ASP A 62 -5.217 12.584 -4.204 1.00 13.42 O ATOM 930 CB ASP A 62 -5.969 12.984 -6.926 1.00 14.11 C ATOM 931 CG ASP A 62 -5.604 14.436 -6.615 1.00 63.55 C ATOM 932 OD1 ASP A 62 -4.476 14.843 -6.997 1.00 54.25 O ATOM 933 OD2 ASP A 62 -6.402 15.104 -5.922 1.00 14.41 O ATOM 0 H ASP A 62 -6.038 10.435 -6.553 1.00 3.42 H new ATOM 0 HA ASP A 62 -3.966 12.353 -7.193 1.00 1.14 H new ATOM 0 HB2 ASP A 62 -6.190 12.866 -7.987 1.00 14.11 H new ATOM 0 HB3 ASP A 62 -6.866 12.692 -6.379 1.00 14.11 H new ATOM 938 N LEU A 63 -3.076 12.372 -4.841 1.00 75.43 N ATOM 939 CA LEU A 63 -2.469 12.647 -3.542 1.00 42.23 C ATOM 940 C LEU A 63 -2.226 14.153 -3.380 1.00 33.51 C ATOM 941 O LEU A 63 -1.115 14.606 -3.096 1.00 11.40 O ATOM 942 CB LEU A 63 -1.178 11.834 -3.426 1.00 11.10 C ATOM 943 CG LEU A 63 -1.431 10.312 -3.401 1.00 22.11 C ATOM 944 CD1 LEU A 63 -0.170 9.542 -3.789 1.00 73.22 C ATOM 945 CD2 LEU A 63 -1.902 9.873 -2.011 1.00 14.51 C ATOM 0 H LEU A 63 -2.387 12.165 -5.565 1.00 75.43 H new ATOM 0 HA LEU A 63 -3.137 12.348 -2.735 1.00 42.23 H new ATOM 0 HB2 LEU A 63 -0.525 12.076 -4.265 1.00 11.10 H new ATOM 0 HB3 LEU A 63 -0.651 12.125 -2.517 1.00 11.10 H new ATOM 0 HG LEU A 63 -2.211 10.088 -4.129 1.00 22.11 H new ATOM 0 HD11 LEU A 63 -0.375 8.472 -3.764 1.00 73.22 H new ATOM 0 HD12 LEU A 63 0.137 9.829 -4.795 1.00 73.22 H new ATOM 0 HD13 LEU A 63 0.629 9.775 -3.086 1.00 73.22 H new ATOM 0 HD21 LEU A 63 -2.076 8.797 -2.009 1.00 14.51 H new ATOM 0 HD22 LEU A 63 -1.138 10.118 -1.274 1.00 14.51 H new ATOM 0 HD23 LEU A 63 -2.828 10.391 -1.760 1.00 14.51 H new ATOM 957 N SER A 64 -3.280 14.934 -3.575 1.00 75.43 N ATOM 958 CA SER A 64 -3.342 16.389 -3.485 1.00 51.33 C ATOM 959 C SER A 64 -3.007 16.900 -2.076 1.00 43.33 C ATOM 960 O SER A 64 -3.902 17.176 -1.283 1.00 21.22 O ATOM 961 CB SER A 64 -4.737 16.855 -3.944 1.00 34.21 C ATOM 962 OG SER A 64 -5.757 15.930 -3.593 1.00 41.14 O ATOM 0 H SER A 64 -4.187 14.536 -3.820 1.00 75.43 H new ATOM 0 HA SER A 64 -2.583 16.815 -4.141 1.00 51.33 H new ATOM 0 HB2 SER A 64 -4.959 17.824 -3.497 1.00 34.21 H new ATOM 0 HB3 SER A 64 -4.733 16.996 -5.025 1.00 34.21 H new ATOM 0 HG SER A 64 -6.286 15.709 -4.388 1.00 41.14 H new ATOM 968 N HIS A 65 -1.720 17.057 -1.744 1.00 35.03 N ATOM 969 CA HIS A 65 -1.230 17.607 -0.470 1.00 0.11 C ATOM 970 C HIS A 65 -1.858 16.911 0.748 1.00 22.43 C ATOM 971 O HIS A 65 -2.163 17.545 1.763 1.00 21.34 O ATOM 972 CB HIS A 65 -1.393 19.140 -0.444 1.00 72.32 C ATOM 973 CG HIS A 65 -1.028 19.793 -1.750 1.00 12.32 C ATOM 974 ND1 HIS A 65 -1.894 20.461 -2.583 1.00 21.32 N ATOM 975 CD2 HIS A 65 0.158 19.648 -2.409 1.00 52.24 C ATOM 976 CE1 HIS A 65 -1.252 20.693 -3.737 1.00 55.41 C ATOM 977 NE2 HIS A 65 0.012 20.231 -3.674 1.00 12.33 N ATOM 0 H HIS A 65 -0.963 16.796 -2.376 1.00 35.03 H new ATOM 0 HA HIS A 65 -0.163 17.396 -0.399 1.00 0.11 H new ATOM 0 HB2 HIS A 65 -2.426 19.386 -0.198 1.00 72.32 H new ATOM 0 HB3 HIS A 65 -0.769 19.553 0.349 1.00 72.32 H new ATOM 0 HD2 HIS A 65 1.047 19.171 -2.025 1.00 52.24 H new ATOM 0 HE1 HIS A 65 -1.687 21.182 -4.596 1.00 55.41 H new ATOM 0 HE2 HIS A 65 0.722 20.293 -4.403 1.00 12.33 H new ATOM 985 N VAL A 66 -2.132 15.616 0.606 1.00 60.32 N ATOM 986 CA VAL A 66 -2.705 14.726 1.603 1.00 1.52 C ATOM 987 C VAL A 66 -1.908 14.803 2.918 1.00 32.43 C ATOM 988 O VAL A 66 -0.762 14.351 2.987 1.00 21.03 O ATOM 989 CB VAL A 66 -2.808 13.312 0.982 1.00 63.42 C ATOM 990 CG1 VAL A 66 -1.542 12.909 0.213 1.00 63.04 C ATOM 991 CG2 VAL A 66 -3.147 12.254 2.042 1.00 3.50 C ATOM 0 H VAL A 66 -1.945 15.131 -0.272 1.00 60.32 H new ATOM 0 HA VAL A 66 -3.715 15.027 1.881 1.00 1.52 H new ATOM 0 HB VAL A 66 -3.625 13.358 0.262 1.00 63.42 H new ATOM 0 HG11 VAL A 66 -1.671 11.909 -0.201 1.00 63.04 H new ATOM 0 HG12 VAL A 66 -1.367 13.617 -0.597 1.00 63.04 H new ATOM 0 HG13 VAL A 66 -0.688 12.914 0.890 1.00 63.04 H new ATOM 0 HG21 VAL A 66 -3.211 11.274 1.570 1.00 3.50 H new ATOM 0 HG22 VAL A 66 -2.368 12.240 2.804 1.00 3.50 H new ATOM 0 HG23 VAL A 66 -4.103 12.497 2.506 1.00 3.50 H new ATOM 1001 N GLN A 67 -2.510 15.356 3.975 1.00 74.15 N ATOM 1002 CA GLN A 67 -1.857 15.488 5.277 1.00 54.44 C ATOM 1003 C GLN A 67 -1.372 14.142 5.832 1.00 71.43 C ATOM 1004 O GLN A 67 -0.200 13.998 6.184 1.00 12.22 O ATOM 1005 CB GLN A 67 -2.759 16.222 6.290 1.00 2.44 C ATOM 1006 CG GLN A 67 -4.239 15.778 6.295 1.00 64.01 C ATOM 1007 CD GLN A 67 -5.051 16.158 7.528 1.00 0.33 C ATOM 1008 OE1 GLN A 67 -6.268 15.994 7.539 1.00 54.55 O ATOM 1009 NE2 GLN A 67 -4.429 16.596 8.607 1.00 23.44 N ATOM 0 H GLN A 67 -3.461 15.723 3.951 1.00 74.15 H new ATOM 0 HA GLN A 67 -0.968 16.099 5.118 1.00 54.44 H new ATOM 0 HB2 GLN A 67 -2.349 16.076 7.289 1.00 2.44 H new ATOM 0 HB3 GLN A 67 -2.718 17.291 6.081 1.00 2.44 H new ATOM 0 HG2 GLN A 67 -4.727 16.204 5.418 1.00 64.01 H new ATOM 0 HG3 GLN A 67 -4.272 14.694 6.184 1.00 64.01 H new ATOM 0 HE21 GLN A 67 -3.418 16.731 8.594 1.00 23.44 H new ATOM 0 HE22 GLN A 67 -4.959 16.800 9.454 1.00 23.44 H new ATOM 1018 N ASN A 68 -2.272 13.168 5.945 1.00 12.22 N ATOM 1019 CA ASN A 68 -2.102 11.920 6.679 1.00 22.21 C ATOM 1020 C ASN A 68 -2.103 10.754 5.697 1.00 71.44 C ATOM 1021 O ASN A 68 -3.108 10.087 5.453 1.00 31.30 O ATOM 1022 CB ASN A 68 -3.170 11.783 7.779 1.00 62.45 C ATOM 1023 CG ASN A 68 -4.617 11.949 7.318 1.00 72.15 C ATOM 1024 OD1 ASN A 68 -4.909 12.275 6.167 1.00 35.34 O ATOM 1025 ND2 ASN A 68 -5.553 11.772 8.226 1.00 35.13 N ATOM 0 H ASN A 68 -3.189 13.234 5.502 1.00 12.22 H new ATOM 0 HA ASN A 68 -1.140 11.917 7.192 1.00 22.21 H new ATOM 0 HB2 ASN A 68 -3.065 10.802 8.242 1.00 62.45 H new ATOM 0 HB3 ASN A 68 -2.967 12.524 8.552 1.00 62.45 H new ATOM 0 HD21 ASN A 68 -6.534 11.905 7.980 1.00 35.13 H new ATOM 0 HD22 ASN A 68 -5.298 11.502 9.176 1.00 35.13 H new ATOM 1032 N LYS A 69 -0.932 10.486 5.123 1.00 43.51 N ATOM 1033 CA LYS A 69 -0.737 9.521 4.038 1.00 23.01 C ATOM 1034 C LYS A 69 -1.224 8.112 4.380 1.00 75.12 C ATOM 1035 O LYS A 69 -1.547 7.332 3.480 1.00 52.25 O ATOM 1036 CB LYS A 69 0.761 9.455 3.706 1.00 63.35 C ATOM 1037 CG LYS A 69 1.396 10.818 3.377 1.00 75.25 C ATOM 1038 CD LYS A 69 0.777 11.432 2.131 1.00 11.32 C ATOM 1039 CE LYS A 69 1.695 12.463 1.469 1.00 24.44 C ATOM 1040 NZ LYS A 69 1.872 13.674 2.289 1.00 35.30 N ATOM 0 H LYS A 69 -0.067 10.946 5.406 1.00 43.51 H new ATOM 0 HA LYS A 69 -1.330 9.867 3.191 1.00 23.01 H new ATOM 0 HB2 LYS A 69 1.290 9.015 4.552 1.00 63.35 H new ATOM 0 HB3 LYS A 69 0.904 8.786 2.858 1.00 63.35 H new ATOM 0 HG2 LYS A 69 1.266 11.495 4.221 1.00 75.25 H new ATOM 0 HG3 LYS A 69 2.469 10.695 3.229 1.00 75.25 H new ATOM 0 HD2 LYS A 69 0.548 10.642 1.416 1.00 11.32 H new ATOM 0 HD3 LYS A 69 -0.168 11.907 2.395 1.00 11.32 H new ATOM 0 HE2 LYS A 69 2.669 12.010 1.282 1.00 24.44 H new ATOM 0 HE3 LYS A 69 1.282 12.742 0.500 1.00 24.44 H new ATOM 0 HZ1 LYS A 69 2.233 14.447 1.694 1.00 35.30 H new ATOM 0 HZ2 LYS A 69 0.958 13.952 2.700 1.00 35.30 H new ATOM 0 HZ3 LYS A 69 2.550 13.480 3.053 1.00 35.30 H new ATOM 1054 N SER A 70 -1.228 7.784 5.664 1.00 32.42 N ATOM 1055 CA SER A 70 -1.624 6.522 6.272 1.00 43.24 C ATOM 1056 C SER A 70 -3.131 6.333 6.105 1.00 51.13 C ATOM 1057 O SER A 70 -3.598 5.296 5.636 1.00 54.45 O ATOM 1058 CB SER A 70 -1.266 6.562 7.770 1.00 54.52 C ATOM 1059 OG SER A 70 -0.297 7.556 8.077 1.00 1.50 O ATOM 0 H SER A 70 -0.927 8.455 6.370 1.00 32.42 H new ATOM 0 HA SER A 70 -1.104 5.693 5.792 1.00 43.24 H new ATOM 0 HB2 SER A 70 -2.169 6.750 8.350 1.00 54.52 H new ATOM 0 HB3 SER A 70 -0.888 5.586 8.075 1.00 54.52 H new ATOM 0 HG SER A 70 0.602 7.193 7.932 1.00 1.50 H new ATOM 1065 N ALA A 71 -3.884 7.370 6.474 1.00 3.42 N ATOM 1066 CA ALA A 71 -5.331 7.381 6.475 1.00 0.41 C ATOM 1067 C ALA A 71 -5.865 7.247 5.052 1.00 22.42 C ATOM 1068 O ALA A 71 -6.834 6.522 4.830 1.00 72.04 O ATOM 1069 CB ALA A 71 -5.790 8.692 7.110 1.00 1.24 C ATOM 0 H ALA A 71 -3.480 8.252 6.790 1.00 3.42 H new ATOM 0 HA ALA A 71 -5.717 6.538 7.047 1.00 0.41 H new ATOM 0 HB1 ALA A 71 -6.879 8.728 7.124 1.00 1.24 H new ATOM 0 HB2 ALA A 71 -5.412 8.754 8.130 1.00 1.24 H new ATOM 0 HB3 ALA A 71 -5.407 9.531 6.529 1.00 1.24 H new ATOM 1075 N PHE A 72 -5.196 7.893 4.092 1.00 41.35 N ATOM 1076 CA PHE A 72 -5.545 7.802 2.678 1.00 43.31 C ATOM 1077 C PHE A 72 -5.400 6.355 2.219 1.00 35.23 C ATOM 1078 O PHE A 72 -6.285 5.807 1.563 1.00 24.24 O ATOM 1079 CB PHE A 72 -4.615 8.721 1.875 1.00 21.33 C ATOM 1080 CG PHE A 72 -4.982 8.959 0.419 1.00 55.22 C ATOM 1081 CD1 PHE A 72 -4.957 7.915 -0.530 1.00 72.42 C ATOM 1082 CD2 PHE A 72 -5.283 10.266 -0.010 1.00 61.34 C ATOM 1083 CE1 PHE A 72 -5.257 8.173 -1.879 1.00 22.00 C ATOM 1084 CE2 PHE A 72 -5.503 10.530 -1.370 1.00 34.42 C ATOM 1085 CZ PHE A 72 -5.509 9.487 -2.307 1.00 73.42 C ATOM 0 H PHE A 72 -4.394 8.495 4.279 1.00 41.35 H new ATOM 0 HA PHE A 72 -6.576 8.117 2.519 1.00 43.31 H new ATOM 0 HB2 PHE A 72 -4.574 9.687 2.378 1.00 21.33 H new ATOM 0 HB3 PHE A 72 -3.610 8.301 1.908 1.00 21.33 H new ATOM 0 HD1 PHE A 72 -4.706 6.912 -0.218 1.00 72.42 H new ATOM 0 HD2 PHE A 72 -5.345 11.068 0.711 1.00 61.34 H new ATOM 0 HE1 PHE A 72 -5.294 7.359 -2.588 1.00 22.00 H new ATOM 0 HE2 PHE A 72 -5.669 11.545 -1.698 1.00 34.42 H new ATOM 0 HZ PHE A 72 -5.706 9.692 -3.349 1.00 73.42 H new ATOM 1095 N LEU A 73 -4.268 5.726 2.558 1.00 41.11 N ATOM 1096 CA LEU A 73 -3.968 4.358 2.165 1.00 24.04 C ATOM 1097 C LEU A 73 -5.067 3.433 2.677 1.00 43.42 C ATOM 1098 O LEU A 73 -5.669 2.705 1.887 1.00 31.12 O ATOM 1099 CB LEU A 73 -2.580 3.959 2.693 1.00 43.45 C ATOM 1100 CG LEU A 73 -2.135 2.565 2.220 1.00 41.52 C ATOM 1101 CD1 LEU A 73 -1.756 2.584 0.740 1.00 4.32 C ATOM 1102 CD2 LEU A 73 -0.941 2.057 3.024 1.00 63.45 C ATOM 0 H LEU A 73 -3.534 6.162 3.117 1.00 41.11 H new ATOM 0 HA LEU A 73 -3.940 4.273 1.079 1.00 24.04 H new ATOM 0 HB2 LEU A 73 -1.848 4.698 2.368 1.00 43.45 H new ATOM 0 HB3 LEU A 73 -2.592 3.980 3.783 1.00 43.45 H new ATOM 0 HG LEU A 73 -2.981 1.895 2.374 1.00 41.52 H new ATOM 0 HD11 LEU A 73 -1.445 1.586 0.431 1.00 4.32 H new ATOM 0 HD12 LEU A 73 -2.617 2.895 0.148 1.00 4.32 H new ATOM 0 HD13 LEU A 73 -0.935 3.284 0.583 1.00 4.32 H new ATOM 0 HD21 LEU A 73 -0.653 1.070 2.663 1.00 63.45 H new ATOM 0 HD22 LEU A 73 -0.104 2.745 2.906 1.00 63.45 H new ATOM 0 HD23 LEU A 73 -1.212 1.993 4.078 1.00 63.45 H new ATOM 1114 N CYS A 74 -5.360 3.510 3.976 1.00 40.11 N ATOM 1115 CA CYS A 74 -6.458 2.781 4.609 1.00 4.23 C ATOM 1116 C CYS A 74 -7.771 2.968 3.831 1.00 31.40 C ATOM 1117 O CYS A 74 -8.517 2.008 3.636 1.00 73.24 O ATOM 1118 CB CYS A 74 -6.612 3.277 6.056 1.00 63.32 C ATOM 1119 SG CYS A 74 -7.931 2.370 6.907 1.00 33.01 S ATOM 0 H CYS A 74 -4.832 4.090 4.628 1.00 40.11 H new ATOM 0 HA CYS A 74 -6.228 1.715 4.606 1.00 4.23 H new ATOM 0 HB2 CYS A 74 -5.671 3.149 6.592 1.00 63.32 H new ATOM 0 HB3 CYS A 74 -6.837 4.343 6.058 1.00 63.32 H new ATOM 0 HG CYS A 74 -8.040 2.806 8.127 1.00 33.01 H new ATOM 1125 N GLY A 75 -8.037 4.183 3.346 1.00 3.34 N ATOM 1126 CA GLY A 75 -9.252 4.516 2.614 1.00 54.35 C ATOM 1127 C GLY A 75 -9.425 3.641 1.373 1.00 23.21 C ATOM 1128 O GLY A 75 -10.505 3.100 1.125 1.00 20.03 O ATOM 0 H GLY A 75 -7.401 4.973 3.455 1.00 3.34 H new ATOM 0 HA2 GLY A 75 -10.115 4.394 3.268 1.00 54.35 H new ATOM 0 HA3 GLY A 75 -9.222 5.565 2.318 1.00 54.35 H new ATOM 1132 N VAL A 76 -8.346 3.451 0.612 1.00 1.40 N ATOM 1133 CA VAL A 76 -8.338 2.590 -0.566 1.00 60.44 C ATOM 1134 C VAL A 76 -8.576 1.131 -0.146 1.00 14.33 C ATOM 1135 O VAL A 76 -9.377 0.433 -0.767 1.00 53.21 O ATOM 1136 CB VAL A 76 -7.027 2.798 -1.359 1.00 22.02 C ATOM 1137 CG1 VAL A 76 -7.009 2.023 -2.681 1.00 63.34 C ATOM 1138 CG2 VAL A 76 -6.795 4.287 -1.656 1.00 12.23 C ATOM 0 H VAL A 76 -7.447 3.895 0.800 1.00 1.40 H new ATOM 0 HA VAL A 76 -9.153 2.856 -1.239 1.00 60.44 H new ATOM 0 HB VAL A 76 -6.228 2.414 -0.725 1.00 22.02 H new ATOM 0 HG11 VAL A 76 -6.066 2.205 -3.197 1.00 63.34 H new ATOM 0 HG12 VAL A 76 -7.112 0.957 -2.479 1.00 63.34 H new ATOM 0 HG13 VAL A 76 -7.836 2.355 -3.309 1.00 63.34 H new ATOM 0 HG21 VAL A 76 -5.867 4.406 -2.215 1.00 12.23 H new ATOM 0 HG22 VAL A 76 -7.626 4.674 -2.246 1.00 12.23 H new ATOM 0 HG23 VAL A 76 -6.728 4.839 -0.718 1.00 12.23 H new ATOM 1148 N MET A 77 -7.942 0.653 0.932 1.00 54.35 N ATOM 1149 CA MET A 77 -8.172 -0.713 1.414 1.00 62.42 C ATOM 1150 C MET A 77 -9.642 -0.947 1.734 1.00 53.44 C ATOM 1151 O MET A 77 -10.181 -2.000 1.384 1.00 54.54 O ATOM 1152 CB MET A 77 -7.335 -1.038 2.653 1.00 32.23 C ATOM 1153 CG MET A 77 -5.859 -0.820 2.370 1.00 33.24 C ATOM 1154 SD MET A 77 -4.737 -1.762 3.410 1.00 15.22 S ATOM 1155 CE MET A 77 -3.233 -1.038 2.755 1.00 2.35 C ATOM 0 H MET A 77 -7.271 1.188 1.483 1.00 54.35 H new ATOM 0 HA MET A 77 -7.865 -1.375 0.604 1.00 62.42 H new ATOM 0 HB2 MET A 77 -7.648 -0.409 3.486 1.00 32.23 H new ATOM 0 HB3 MET A 77 -7.505 -2.072 2.953 1.00 32.23 H new ATOM 0 HG2 MET A 77 -5.663 -1.074 1.328 1.00 33.24 H new ATOM 0 HG3 MET A 77 -5.635 0.240 2.488 1.00 33.24 H new ATOM 0 HE1 MET A 77 -2.670 -1.797 2.213 1.00 2.35 H new ATOM 0 HE2 MET A 77 -3.487 -0.222 2.078 1.00 2.35 H new ATOM 0 HE3 MET A 77 -2.627 -0.654 3.575 1.00 2.35 H new ATOM 1165 N LYS A 78 -10.294 0.053 2.339 1.00 24.42 N ATOM 1166 CA LYS A 78 -11.697 -0.007 2.705 1.00 64.42 C ATOM 1167 C LYS A 78 -12.526 -0.422 1.500 1.00 60.23 C ATOM 1168 O LYS A 78 -13.167 -1.464 1.568 1.00 23.32 O ATOM 1169 CB LYS A 78 -12.154 1.325 3.312 1.00 12.31 C ATOM 1170 CG LYS A 78 -13.445 1.147 4.116 1.00 33.04 C ATOM 1171 CD LYS A 78 -14.040 2.513 4.471 1.00 41.54 C ATOM 1172 CE LYS A 78 -14.948 2.433 5.699 1.00 12.13 C ATOM 1173 NZ LYS A 78 -16.159 1.613 5.506 1.00 72.43 N ATOM 0 H LYS A 78 -9.847 0.935 2.588 1.00 24.42 H new ATOM 0 HA LYS A 78 -11.844 -0.764 3.476 1.00 64.42 H new ATOM 0 HB2 LYS A 78 -11.371 1.722 3.958 1.00 12.31 H new ATOM 0 HB3 LYS A 78 -12.313 2.055 2.518 1.00 12.31 H new ATOM 0 HG2 LYS A 78 -14.165 0.568 3.538 1.00 33.04 H new ATOM 0 HG3 LYS A 78 -13.240 0.584 5.026 1.00 33.04 H new ATOM 0 HD2 LYS A 78 -13.235 3.223 4.660 1.00 41.54 H new ATOM 0 HD3 LYS A 78 -14.608 2.894 3.622 1.00 41.54 H new ATOM 0 HE2 LYS A 78 -14.377 2.026 6.533 1.00 12.13 H new ATOM 0 HE3 LYS A 78 -15.248 3.442 5.981 1.00 12.13 H new ATOM 0 HZ1 LYS A 78 -16.517 1.299 6.431 1.00 72.43 H new ATOM 0 HZ2 LYS A 78 -16.888 2.178 5.026 1.00 72.43 H new ATOM 0 HZ3 LYS A 78 -15.927 0.783 4.925 1.00 72.43 H new ATOM 1187 N THR A 79 -12.495 0.338 0.403 1.00 75.24 N ATOM 1188 CA THR A 79 -13.300 0.021 -0.775 1.00 1.24 C ATOM 1189 C THR A 79 -12.909 -1.338 -1.377 1.00 61.42 C ATOM 1190 O THR A 79 -13.781 -2.065 -1.847 1.00 20.15 O ATOM 1191 CB THR A 79 -13.260 1.191 -1.784 1.00 64.42 C ATOM 1192 OG1 THR A 79 -14.079 0.914 -2.898 1.00 63.02 O ATOM 1193 CG2 THR A 79 -11.867 1.565 -2.297 1.00 73.33 C ATOM 0 H THR A 79 -11.921 1.176 0.308 1.00 75.24 H new ATOM 0 HA THR A 79 -14.342 -0.091 -0.476 1.00 1.24 H new ATOM 0 HB THR A 79 -13.626 2.046 -1.215 1.00 64.42 H new ATOM 0 HG1 THR A 79 -14.043 1.666 -3.526 1.00 63.02 H new ATOM 0 HG21 THR A 79 -11.948 2.396 -2.998 1.00 73.33 H new ATOM 0 HG22 THR A 79 -11.237 1.859 -1.458 1.00 73.33 H new ATOM 0 HG23 THR A 79 -11.422 0.707 -2.801 1.00 73.33 H new ATOM 1201 N TYR A 80 -11.632 -1.741 -1.340 1.00 34.33 N ATOM 1202 CA TYR A 80 -11.238 -3.023 -1.922 1.00 75.13 C ATOM 1203 C TYR A 80 -11.793 -4.225 -1.157 1.00 61.00 C ATOM 1204 O TYR A 80 -12.186 -5.207 -1.787 1.00 23.43 O ATOM 1205 CB TYR A 80 -9.719 -3.111 -2.076 1.00 74.43 C ATOM 1206 CG TYR A 80 -9.285 -2.571 -3.418 1.00 13.14 C ATOM 1207 CD1 TYR A 80 -9.550 -3.318 -4.578 1.00 22.35 C ATOM 1208 CD2 TYR A 80 -8.683 -1.308 -3.522 1.00 2.22 C ATOM 1209 CE1 TYR A 80 -9.210 -2.801 -5.834 1.00 64.20 C ATOM 1210 CE2 TYR A 80 -8.311 -0.796 -4.773 1.00 75.21 C ATOM 1211 CZ TYR A 80 -8.573 -1.545 -5.940 1.00 33.32 C ATOM 1212 OH TYR A 80 -8.213 -1.055 -7.154 1.00 4.34 O ATOM 0 H TYR A 80 -10.870 -1.207 -0.921 1.00 34.33 H new ATOM 0 HA TYR A 80 -11.687 -3.064 -2.914 1.00 75.13 H new ATOM 0 HB2 TYR A 80 -9.235 -2.548 -1.278 1.00 74.43 H new ATOM 0 HB3 TYR A 80 -9.398 -4.148 -1.975 1.00 74.43 H new ATOM 0 HD1 TYR A 80 -10.015 -4.290 -4.501 1.00 22.35 H new ATOM 0 HD2 TYR A 80 -8.505 -0.725 -2.631 1.00 2.22 H new ATOM 0 HE1 TYR A 80 -9.436 -3.366 -6.726 1.00 64.20 H new ATOM 0 HE2 TYR A 80 -7.826 0.167 -4.843 1.00 75.21 H new ATOM 0 HH TYR A 80 -7.239 -1.105 -7.251 1.00 4.34 H new ATOM 1222 N ARG A 81 -11.858 -4.167 0.177 1.00 75.11 N ATOM 1223 CA ARG A 81 -12.641 -5.140 0.946 1.00 14.41 C ATOM 1224 C ARG A 81 -14.126 -4.960 0.623 1.00 22.41 C ATOM 1225 O ARG A 81 -14.856 -5.929 0.422 1.00 12.12 O ATOM 1226 CB ARG A 81 -12.365 -4.965 2.456 1.00 15.12 C ATOM 1227 CG ARG A 81 -11.270 -5.915 2.971 1.00 23.45 C ATOM 1228 CD ARG A 81 -11.865 -7.277 3.355 1.00 20.43 C ATOM 1229 NE ARG A 81 -10.911 -8.400 3.264 1.00 31.01 N ATOM 1230 CZ ARG A 81 -10.265 -8.990 4.280 1.00 60.20 C ATOM 1231 NH1 ARG A 81 -10.210 -8.452 5.491 1.00 44.31 N ATOM 1232 NH2 ARG A 81 -9.646 -10.147 4.110 1.00 14.15 N ATOM 0 H ARG A 81 -11.383 -3.464 0.743 1.00 75.11 H new ATOM 0 HA ARG A 81 -12.349 -6.154 0.672 1.00 14.41 H new ATOM 0 HB2 ARG A 81 -12.068 -3.934 2.650 1.00 15.12 H new ATOM 0 HB3 ARG A 81 -13.285 -5.142 3.013 1.00 15.12 H new ATOM 0 HG2 ARG A 81 -10.508 -6.050 2.203 1.00 23.45 H new ATOM 0 HG3 ARG A 81 -10.776 -5.472 3.836 1.00 23.45 H new ATOM 0 HD2 ARG A 81 -12.246 -7.220 4.375 1.00 20.43 H new ATOM 0 HD3 ARG A 81 -12.717 -7.485 2.707 1.00 20.43 H new ATOM 0 HE ARG A 81 -10.724 -8.765 2.330 1.00 31.01 H new ATOM 0 HH11 ARG A 81 -10.669 -7.560 5.674 1.00 44.31 H new ATOM 0 HH12 ARG A 81 -9.709 -8.931 6.239 1.00 44.31 H new ATOM 0 HH21 ARG A 81 -9.656 -10.602 3.197 1.00 14.15 H new ATOM 0 HH22 ARG A 81 -9.158 -10.584 4.892 1.00 14.15 H new ATOM 1246 N GLN A 82 -14.586 -3.714 0.616 1.00 20.04 N ATOM 1247 CA GLN A 82 -15.984 -3.357 0.708 1.00 4.11 C ATOM 1248 C GLN A 82 -16.505 -2.863 -0.637 1.00 12.52 C ATOM 1249 O GLN A 82 -16.798 -1.675 -0.821 1.00 0.13 O ATOM 1250 CB GLN A 82 -16.165 -2.325 1.816 1.00 4.43 C ATOM 1251 CG GLN A 82 -15.659 -2.837 3.172 1.00 0.44 C ATOM 1252 CD GLN A 82 -15.836 -1.827 4.290 1.00 53.31 C ATOM 1253 OE1 GLN A 82 -16.400 -0.745 4.120 1.00 35.41 O ATOM 1254 NE2 GLN A 82 -15.309 -2.137 5.461 1.00 4.52 N ATOM 0 H GLN A 82 -13.971 -2.904 0.544 1.00 20.04 H new ATOM 0 HA GLN A 82 -16.575 -4.236 0.964 1.00 4.11 H new ATOM 0 HB2 GLN A 82 -15.631 -1.413 1.551 1.00 4.43 H new ATOM 0 HB3 GLN A 82 -17.220 -2.064 1.899 1.00 4.43 H new ATOM 0 HG2 GLN A 82 -16.191 -3.753 3.430 1.00 0.44 H new ATOM 0 HG3 GLN A 82 -14.603 -3.095 3.086 1.00 0.44 H new ATOM 0 HE21 GLN A 82 -14.845 -3.036 5.589 1.00 4.52 H new ATOM 0 HE22 GLN A 82 -15.367 -1.477 6.237 1.00 4.52 H new ATOM 1263 N ARG A 83 -16.611 -3.779 -1.597 1.00 41.11 N ATOM 1264 CA ARG A 83 -17.145 -3.499 -2.929 1.00 44.13 C ATOM 1265 C ARG A 83 -18.316 -4.387 -3.306 1.00 31.33 C ATOM 1266 O ARG A 83 -18.938 -4.137 -4.335 1.00 72.12 O ATOM 1267 CB ARG A 83 -16.031 -3.460 -3.991 1.00 23.34 C ATOM 1268 CG ARG A 83 -15.091 -4.673 -3.973 1.00 53.23 C ATOM 1269 CD ARG A 83 -14.040 -4.563 -5.085 1.00 74.30 C ATOM 1270 NE ARG A 83 -14.454 -5.224 -6.338 1.00 71.23 N ATOM 1271 CZ ARG A 83 -13.646 -5.734 -7.280 1.00 1.22 C ATOM 1272 NH1 ARG A 83 -12.349 -5.903 -7.042 1.00 41.41 N ATOM 1273 NH2 ARG A 83 -14.166 -6.112 -8.442 1.00 74.20 N ATOM 0 H ARG A 83 -16.325 -4.750 -1.470 1.00 41.11 H new ATOM 0 HA ARG A 83 -17.568 -2.495 -2.893 1.00 44.13 H new ATOM 0 HB2 ARG A 83 -16.489 -3.386 -4.977 1.00 23.34 H new ATOM 0 HB3 ARG A 83 -15.440 -2.556 -3.846 1.00 23.34 H new ATOM 0 HG2 ARG A 83 -14.596 -4.741 -3.004 1.00 53.23 H new ATOM 0 HG3 ARG A 83 -15.669 -5.588 -4.101 1.00 53.23 H new ATOM 0 HD2 ARG A 83 -13.840 -3.510 -5.285 1.00 74.30 H new ATOM 0 HD3 ARG A 83 -13.106 -5.005 -4.739 1.00 74.30 H new ATOM 0 HE ARG A 83 -15.457 -5.301 -6.505 1.00 71.23 H new ATOM 0 HH11 ARG A 83 -11.959 -5.644 -6.136 1.00 41.41 H new ATOM 0 HH12 ARG A 83 -11.744 -6.292 -7.766 1.00 41.41 H new ATOM 0 HH21 ARG A 83 -15.167 -6.013 -8.609 1.00 74.20 H new ATOM 0 HH22 ARG A 83 -13.564 -6.501 -9.168 1.00 74.20 H new ATOM 1287 N GLU A 84 -18.685 -5.330 -2.445 1.00 55.20 N ATOM 1288 CA GLU A 84 -20.044 -5.846 -2.457 1.00 11.12 C ATOM 1289 C GLU A 84 -20.922 -4.771 -1.833 1.00 14.15 C ATOM 1290 O GLU A 84 -20.796 -4.459 -0.643 1.00 41.40 O ATOM 1291 CB GLU A 84 -20.199 -7.176 -1.715 1.00 72.03 C ATOM 1292 CG GLU A 84 -19.788 -8.357 -2.591 1.00 51.30 C ATOM 1293 CD GLU A 84 -20.000 -9.660 -1.833 1.00 71.00 C ATOM 1294 OE1 GLU A 84 -19.079 -10.074 -1.091 1.00 62.31 O ATOM 1295 OE2 GLU A 84 -21.080 -10.267 -1.974 1.00 42.13 O ATOM 0 H GLU A 84 -18.072 -5.745 -1.743 1.00 55.20 H new ATOM 0 HA GLU A 84 -20.336 -6.065 -3.484 1.00 11.12 H new ATOM 0 HB2 GLU A 84 -19.590 -7.163 -0.811 1.00 72.03 H new ATOM 0 HB3 GLU A 84 -21.235 -7.299 -1.399 1.00 72.03 H new ATOM 0 HG2 GLU A 84 -20.374 -8.361 -3.510 1.00 51.30 H new ATOM 0 HG3 GLU A 84 -18.742 -8.260 -2.880 1.00 51.30 H new ATOM 1302 N LYS A 85 -21.774 -4.189 -2.661 1.00 1.45 N ATOM 1303 CA LYS A 85 -22.960 -3.436 -2.309 1.00 43.10 C ATOM 1304 C LYS A 85 -24.080 -3.948 -3.198 1.00 53.42 C ATOM 1305 O LYS A 85 -25.236 -3.578 -2.918 1.00 40.14 O ATOM 1306 CB LYS A 85 -22.711 -1.933 -2.506 1.00 74.44 C ATOM 1307 CG LYS A 85 -21.957 -1.298 -1.331 1.00 60.20 C ATOM 1308 CD LYS A 85 -22.780 -1.395 -0.038 1.00 55.34 C ATOM 1309 CE LYS A 85 -22.395 -0.406 1.062 1.00 41.14 C ATOM 1310 NZ LYS A 85 -20.961 -0.447 1.416 1.00 15.12 N ATOM 0 H LYS A 85 -21.642 -4.236 -3.671 1.00 1.45 H new ATOM 0 HA LYS A 85 -23.227 -3.569 -1.261 1.00 43.10 H new ATOM 0 HB2 LYS A 85 -22.141 -1.781 -3.423 1.00 74.44 H new ATOM 0 HB3 LYS A 85 -23.666 -1.425 -2.636 1.00 74.44 H new ATOM 0 HG2 LYS A 85 -20.998 -1.798 -1.195 1.00 60.20 H new ATOM 0 HG3 LYS A 85 -21.742 -0.253 -1.553 1.00 60.20 H new ATOM 0 HD2 LYS A 85 -23.831 -1.246 -0.285 1.00 55.34 H new ATOM 0 HD3 LYS A 85 -22.686 -2.406 0.357 1.00 55.34 H new ATOM 0 HE2 LYS A 85 -22.653 0.603 0.739 1.00 41.14 H new ATOM 0 HE3 LYS A 85 -22.987 -0.617 1.953 1.00 41.14 H new ATOM 0 HZ1 LYS A 85 -20.772 0.235 2.178 1.00 15.12 H new ATOM 0 HZ2 LYS A 85 -20.710 -1.404 1.737 1.00 15.12 H new ATOM 0 HZ3 LYS A 85 -20.390 -0.201 0.582 1.00 15.12 H new TER 1324 LYS A 85