USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 932 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 70 GLN : amide:sc= 0.979 K(o=1.1,f=-0.41) USER MOD Set 1.2: A 74 ASN : amide:sc= 0.154 K(o=1.1,f=-1.2) USER MOD Set 2.1: A 56 THR OG1 : rot 90:sc= 1.27 USER MOD Set 2.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 27 GLN : amide:sc= 0.891 K(o=1.5,f=-0.13) USER MOD Set 3.2: A 40 GLN : amide:sc= 0.126 K(o=1.5,f=0.72) USER MOD Set 3.3: A 43 HIS : no HE2:sc= 0.462 K(o=1.5,f=-0.13) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.159 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0862 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -160:sc= 0.377 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 132:sc= -1.08 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -175:sc= -0.164 (180deg=-0.166) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -178:sc= 1.22 (180deg=1.16) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 72:sc= 0.0514 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 47 CYS SG : rot 78:sc= -0.312 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4.2!) USER MOD Single : A 58 CYS SG : rot 92:sc= 0.168 USER MOD Single : A 60 LYS NZ :NH3+ -162:sc= 1.23 (180deg=0.846) USER MOD Single : A 62 TYR OH : rot -98:sc= 0.65 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.268 K(o=-0.27,f=-1.3!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 170:sc=-0.00191 (180deg=-0.0614) USER MOD Single : A 80 SER OG : rot -16:sc= 0.595 USER MOD Single : A 81 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0199) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.518 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 160:sc= -0.0766 (180deg=-0.469) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ -156:sc= 1.13 (180deg=0.688) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.544 -16.157 -13.129 1.00 1.25 N ATOM 2 CA GLY A 1 -9.863 -14.908 -13.485 1.00 24.31 C ATOM 3 C GLY A 1 -9.348 -14.179 -12.263 1.00 74.41 C ATOM 4 O GLY A 1 -9.490 -14.695 -11.157 1.00 72.14 O ATOM 0 H1 GLY A 1 -10.078 -16.955 -13.607 1.00 1.25 H new ATOM 0 H2 GLY A 1 -10.499 -16.296 -12.099 1.00 1.25 H new ATOM 0 H3 GLY A 1 -11.539 -16.108 -13.428 1.00 1.25 H new ATOM 0 HA2 GLY A 1 -9.031 -15.126 -14.155 1.00 24.31 H new ATOM 0 HA3 GLY A 1 -10.551 -14.262 -14.030 1.00 24.31 H new ATOM 8 N PRO A 2 -8.711 -13.009 -12.445 1.00 21.13 N ATOM 9 CA PRO A 2 -7.941 -12.331 -11.402 1.00 33.10 C ATOM 10 C PRO A 2 -8.773 -11.587 -10.343 1.00 31.23 C ATOM 11 O PRO A 2 -8.192 -11.102 -9.373 1.00 32.32 O ATOM 12 CB PRO A 2 -7.000 -11.392 -12.158 1.00 20.42 C ATOM 13 CG PRO A 2 -7.779 -11.053 -13.428 1.00 53.34 C ATOM 14 CD PRO A 2 -8.515 -12.356 -13.734 1.00 51.34 C ATOM 0 HA PRO A 2 -7.415 -13.070 -10.797 1.00 33.10 H new ATOM 0 HB2 PRO A 2 -6.772 -10.499 -11.577 1.00 20.42 H new ATOM 0 HB3 PRO A 2 -6.050 -11.875 -12.387 1.00 20.42 H new ATOM 0 HG2 PRO A 2 -8.471 -10.226 -13.269 1.00 53.34 H new ATOM 0 HG3 PRO A 2 -7.116 -10.762 -14.243 1.00 53.34 H new ATOM 0 HD2 PRO A 2 -9.469 -12.161 -14.224 1.00 51.34 H new ATOM 0 HD3 PRO A 2 -7.934 -12.985 -14.408 1.00 51.34 H new ATOM 22 N LEU A 3 -10.104 -11.523 -10.466 1.00 33.52 N ATOM 23 CA LEU A 3 -11.025 -11.026 -9.439 1.00 53.12 C ATOM 24 C LEU A 3 -10.690 -9.582 -9.018 1.00 21.41 C ATOM 25 O LEU A 3 -10.171 -8.790 -9.811 1.00 21.53 O ATOM 26 CB LEU A 3 -11.104 -12.005 -8.241 1.00 51.24 C ATOM 27 CG LEU A 3 -11.416 -13.474 -8.566 1.00 72.34 C ATOM 28 CD1 LEU A 3 -11.410 -14.300 -7.277 1.00 44.30 C ATOM 29 CD2 LEU A 3 -12.761 -13.638 -9.283 1.00 70.30 C ATOM 0 H LEU A 3 -10.585 -11.826 -11.313 1.00 33.52 H new ATOM 0 HA LEU A 3 -12.024 -10.983 -9.874 1.00 53.12 H new ATOM 0 HB2 LEU A 3 -10.153 -11.969 -7.710 1.00 51.24 H new ATOM 0 HB3 LEU A 3 -11.867 -11.640 -7.554 1.00 51.24 H new ATOM 0 HG LEU A 3 -10.641 -13.832 -9.243 1.00 72.34 H new ATOM 0 HD11 LEU A 3 -11.632 -15.341 -7.511 1.00 44.30 H new ATOM 0 HD12 LEU A 3 -10.428 -14.235 -6.808 1.00 44.30 H new ATOM 0 HD13 LEU A 3 -12.166 -13.913 -6.593 1.00 44.30 H new ATOM 0 HD21 LEU A 3 -12.936 -14.694 -9.491 1.00 70.30 H new ATOM 0 HD22 LEU A 3 -13.561 -13.256 -8.648 1.00 70.30 H new ATOM 0 HD23 LEU A 3 -12.744 -13.081 -10.220 1.00 70.30 H new ATOM 41 N GLY A 4 -11.071 -9.204 -7.797 1.00 55.33 N ATOM 42 CA GLY A 4 -10.825 -7.902 -7.191 1.00 41.35 C ATOM 43 C GLY A 4 -11.894 -7.521 -6.166 1.00 40.13 C ATOM 44 O GLY A 4 -11.693 -6.596 -5.383 1.00 43.23 O ATOM 0 H GLY A 4 -11.584 -9.830 -7.177 1.00 55.33 H new ATOM 0 HA2 GLY A 4 -9.848 -7.909 -6.707 1.00 41.35 H new ATOM 0 HA3 GLY A 4 -10.788 -7.143 -7.972 1.00 41.35 H new ATOM 48 N SER A 5 -13.023 -8.233 -6.128 1.00 42.54 N ATOM 49 CA SER A 5 -14.046 -8.020 -5.117 1.00 3.44 C ATOM 50 C SER A 5 -13.505 -8.493 -3.773 1.00 4.11 C ATOM 51 O SER A 5 -12.932 -9.589 -3.685 1.00 1.13 O ATOM 52 CB SER A 5 -15.342 -8.768 -5.461 1.00 3.10 C ATOM 53 OG SER A 5 -15.333 -9.318 -6.774 1.00 33.13 O ATOM 0 H SER A 5 -13.248 -8.969 -6.797 1.00 42.54 H new ATOM 0 HA SER A 5 -14.287 -6.958 -5.075 1.00 3.44 H new ATOM 0 HB2 SER A 5 -15.496 -9.569 -4.738 1.00 3.10 H new ATOM 0 HB3 SER A 5 -16.186 -8.085 -5.364 1.00 3.10 H new ATOM 0 HG SER A 5 -16.179 -9.784 -6.939 1.00 33.13 H new ATOM 59 N LEU A 6 -13.733 -7.705 -2.729 1.00 13.12 N ATOM 60 CA LEU A 6 -13.445 -8.072 -1.354 1.00 4.11 C ATOM 61 C LEU A 6 -14.772 -8.453 -0.733 1.00 45.43 C ATOM 62 O LEU A 6 -15.659 -7.606 -0.623 1.00 60.30 O ATOM 63 CB LEU A 6 -12.802 -6.898 -0.619 1.00 72.24 C ATOM 64 CG LEU A 6 -11.271 -6.841 -0.735 1.00 35.44 C ATOM 65 CD1 LEU A 6 -10.691 -7.095 -2.131 1.00 4.41 C ATOM 66 CD2 LEU A 6 -10.793 -5.465 -0.272 1.00 61.12 C ATOM 0 H LEU A 6 -14.133 -6.771 -2.821 1.00 13.12 H new ATOM 0 HA LEU A 6 -12.740 -8.902 -1.294 1.00 4.11 H new ATOM 0 HB2 LEU A 6 -13.219 -5.969 -1.008 1.00 72.24 H new ATOM 0 HB3 LEU A 6 -13.073 -6.952 0.435 1.00 72.24 H new ATOM 0 HG LEU A 6 -10.913 -7.659 -0.110 1.00 35.44 H new ATOM 0 HD11 LEU A 6 -9.604 -7.029 -2.091 1.00 4.41 H new ATOM 0 HD12 LEU A 6 -10.982 -8.089 -2.471 1.00 4.41 H new ATOM 0 HD13 LEU A 6 -11.074 -6.347 -2.826 1.00 4.41 H new ATOM 0 HD21 LEU A 6 -9.707 -5.412 -0.350 1.00 61.12 H new ATOM 0 HD22 LEU A 6 -11.240 -4.694 -0.900 1.00 61.12 H new ATOM 0 HD23 LEU A 6 -11.091 -5.306 0.764 1.00 61.12 H new ATOM 78 N ASP A 7 -14.922 -9.728 -0.410 1.00 75.13 N ATOM 79 CA ASP A 7 -16.110 -10.280 0.226 1.00 1.34 C ATOM 80 C ASP A 7 -16.030 -10.098 1.739 1.00 50.11 C ATOM 81 O ASP A 7 -15.017 -9.615 2.243 1.00 25.20 O ATOM 82 CB ASP A 7 -16.185 -11.767 -0.121 1.00 22.15 C ATOM 83 CG ASP A 7 -17.593 -12.344 0.072 1.00 51.25 C ATOM 84 OD1 ASP A 7 -18.581 -11.578 0.015 1.00 12.54 O ATOM 85 OD2 ASP A 7 -17.727 -13.568 0.285 1.00 3.35 O1- ATOM 0 H ASP A 7 -14.201 -10.428 -0.588 1.00 75.13 H new ATOM 0 HA ASP A 7 -17.001 -9.764 -0.131 1.00 1.34 H new ATOM 0 HB2 ASP A 7 -15.875 -11.911 -1.156 1.00 22.15 H new ATOM 0 HB3 ASP A 7 -15.481 -12.318 0.502 1.00 22.15 H new ATOM 90 N GLN A 8 -17.059 -10.512 2.478 1.00 35.03 N ATOM 91 CA GLN A 8 -17.136 -10.302 3.919 1.00 31.00 C ATOM 92 C GLN A 8 -15.934 -10.899 4.681 1.00 15.44 C ATOM 93 O GLN A 8 -15.545 -10.350 5.713 1.00 42.40 O ATOM 94 CB GLN A 8 -18.473 -10.854 4.439 1.00 11.40 C ATOM 95 CG GLN A 8 -18.965 -10.130 5.701 1.00 73.15 C ATOM 96 CD GLN A 8 -19.956 -9.001 5.405 1.00 5.35 C ATOM 97 OE1 GLN A 8 -21.088 -9.234 4.977 1.00 73.41 O ATOM 98 NE2 GLN A 8 -19.594 -7.759 5.670 1.00 23.44 N ATOM 0 H GLN A 8 -17.864 -11.004 2.090 1.00 35.03 H new ATOM 0 HA GLN A 8 -17.090 -9.229 4.107 1.00 31.00 H new ATOM 0 HB2 GLN A 8 -19.227 -10.764 3.657 1.00 11.40 H new ATOM 0 HB3 GLN A 8 -18.363 -11.917 4.655 1.00 11.40 H new ATOM 0 HG2 GLN A 8 -19.437 -10.854 6.365 1.00 73.15 H new ATOM 0 HG3 GLN A 8 -18.107 -9.720 6.234 1.00 73.15 H new ATOM 0 HE21 GLN A 8 -18.657 -7.565 6.024 1.00 23.44 H new ATOM 0 HE22 GLN A 8 -20.251 -6.993 5.520 1.00 23.44 H new ATOM 107 N LYS A 9 -15.322 -11.999 4.217 1.00 54.03 N ATOM 108 CA LYS A 9 -14.044 -12.467 4.768 1.00 31.31 C ATOM 109 C LYS A 9 -12.915 -11.560 4.300 1.00 71.23 C ATOM 110 O LYS A 9 -12.220 -10.972 5.124 1.00 2.24 O ATOM 111 CB LYS A 9 -13.756 -13.931 4.395 1.00 54.31 C ATOM 112 CG LYS A 9 -14.739 -14.913 5.053 1.00 72.00 C ATOM 113 CD LYS A 9 -14.451 -16.375 4.684 1.00 23.34 C ATOM 114 CE LYS A 9 -14.943 -16.711 3.270 1.00 1.24 C ATOM 115 NZ LYS A 9 -14.793 -18.146 2.957 1.00 21.22 N1+ ATOM 0 H LYS A 9 -15.691 -12.579 3.464 1.00 54.03 H new ATOM 0 HA LYS A 9 -14.113 -12.423 5.855 1.00 31.31 H new ATOM 0 HB2 LYS A 9 -13.807 -14.043 3.312 1.00 54.31 H new ATOM 0 HB3 LYS A 9 -12.739 -14.185 4.694 1.00 54.31 H new ATOM 0 HG2 LYS A 9 -14.690 -14.799 6.136 1.00 72.00 H new ATOM 0 HG3 LYS A 9 -15.756 -14.660 4.752 1.00 72.00 H new ATOM 0 HD2 LYS A 9 -13.379 -16.563 4.751 1.00 23.34 H new ATOM 0 HD3 LYS A 9 -14.936 -17.034 5.404 1.00 23.34 H new ATOM 0 HE2 LYS A 9 -15.991 -16.427 3.174 1.00 1.24 H new ATOM 0 HE3 LYS A 9 -14.385 -16.121 2.543 1.00 1.24 H new ATOM 0 HZ1 LYS A 9 -15.137 -18.329 1.993 1.00 21.22 H new ATOM 0 HZ2 LYS A 9 -13.790 -18.413 3.023 1.00 21.22 H new ATOM 0 HZ3 LYS A 9 -15.346 -18.709 3.635 1.00 21.22 H new ATOM 129 N THR A 10 -12.709 -11.458 2.986 1.00 74.25 N ATOM 130 CA THR A 10 -11.574 -10.798 2.348 1.00 13.54 C ATOM 131 C THR A 10 -11.383 -9.368 2.875 1.00 52.52 C ATOM 132 O THR A 10 -10.251 -8.934 3.118 1.00 61.23 O ATOM 133 CB THR A 10 -11.797 -10.799 0.818 1.00 0.01 C ATOM 134 OG1 THR A 10 -12.822 -11.700 0.425 1.00 34.44 O ATOM 135 CG2 THR A 10 -10.531 -11.128 0.034 1.00 21.15 C ATOM 0 H THR A 10 -13.361 -11.853 2.308 1.00 74.25 H new ATOM 0 HA THR A 10 -10.662 -11.345 2.587 1.00 13.54 H new ATOM 0 HB THR A 10 -12.100 -9.780 0.580 1.00 0.01 H new ATOM 0 HG1 THR A 10 -12.724 -11.912 -0.527 1.00 34.44 H new ATOM 0 HG21 THR A 10 -10.750 -11.114 -1.034 1.00 21.15 H new ATOM 0 HG22 THR A 10 -9.762 -10.388 0.257 1.00 21.15 H new ATOM 0 HG23 THR A 10 -10.174 -12.118 0.318 1.00 21.15 H new ATOM 143 N PHE A 11 -12.496 -8.652 3.040 1.00 2.31 N ATOM 144 CA PHE A 11 -12.537 -7.285 3.543 1.00 54.43 C ATOM 145 C PHE A 11 -12.012 -7.189 4.977 1.00 2.41 C ATOM 146 O PHE A 11 -11.252 -6.278 5.316 1.00 32.02 O ATOM 147 CB PHE A 11 -13.965 -6.744 3.466 1.00 25.32 C ATOM 148 CG PHE A 11 -14.024 -5.234 3.598 1.00 64.11 C ATOM 149 CD1 PHE A 11 -13.925 -4.420 2.453 1.00 32.05 C ATOM 150 CD2 PHE A 11 -14.152 -4.631 4.864 1.00 71.24 C ATOM 151 CE1 PHE A 11 -13.983 -3.021 2.565 1.00 20.31 C ATOM 152 CE2 PHE A 11 -14.200 -3.231 4.977 1.00 72.32 C ATOM 153 CZ PHE A 11 -14.125 -2.425 3.828 1.00 65.24 C ATOM 0 H PHE A 11 -13.421 -9.022 2.819 1.00 2.31 H new ATOM 0 HA PHE A 11 -11.884 -6.680 2.914 1.00 54.43 H new ATOM 0 HB2 PHE A 11 -14.411 -7.040 2.516 1.00 25.32 H new ATOM 0 HB3 PHE A 11 -14.565 -7.198 4.255 1.00 25.32 H new ATOM 0 HD1 PHE A 11 -13.804 -4.875 1.481 1.00 32.05 H new ATOM 0 HD2 PHE A 11 -14.213 -5.246 5.750 1.00 71.24 H new ATOM 0 HE1 PHE A 11 -13.918 -2.405 1.680 1.00 20.31 H new ATOM 0 HE2 PHE A 11 -14.295 -2.773 5.950 1.00 72.32 H new ATOM 0 HZ PHE A 11 -14.176 -1.350 3.917 1.00 65.24 H new ATOM 163 N SER A 12 -12.411 -8.142 5.821 1.00 52.41 N ATOM 164 CA SER A 12 -11.962 -8.227 7.201 1.00 3.30 C ATOM 165 C SER A 12 -10.445 -8.421 7.186 1.00 51.11 C ATOM 166 O SER A 12 -9.727 -7.668 7.847 1.00 3.04 O ATOM 167 CB SER A 12 -12.732 -9.343 7.930 1.00 34.53 C ATOM 168 OG SER A 12 -12.586 -9.304 9.343 1.00 33.32 O ATOM 0 H SER A 12 -13.062 -8.882 5.557 1.00 52.41 H new ATOM 0 HA SER A 12 -12.172 -7.315 7.759 1.00 3.30 H new ATOM 0 HB2 SER A 12 -13.790 -9.266 7.680 1.00 34.53 H new ATOM 0 HB3 SER A 12 -12.387 -10.310 7.564 1.00 34.53 H new ATOM 0 HG SER A 12 -13.099 -10.036 9.745 1.00 33.32 H new ATOM 174 N ILE A 13 -9.949 -9.374 6.385 1.00 45.32 N ATOM 175 CA ILE A 13 -8.529 -9.702 6.323 1.00 14.50 C ATOM 176 C ILE A 13 -7.725 -8.444 5.984 1.00 34.12 C ATOM 177 O ILE A 13 -6.778 -8.122 6.709 1.00 34.35 O ATOM 178 CB ILE A 13 -8.238 -10.856 5.336 1.00 15.23 C ATOM 179 CG1 ILE A 13 -9.100 -12.131 5.501 1.00 24.34 C ATOM 180 CG2 ILE A 13 -6.751 -11.257 5.422 1.00 52.31 C ATOM 181 CD1 ILE A 13 -9.480 -12.504 6.936 1.00 3.22 C ATOM 0 H ILE A 13 -10.528 -9.937 5.762 1.00 45.32 H new ATOM 0 HA ILE A 13 -8.217 -10.062 7.303 1.00 14.50 H new ATOM 0 HB ILE A 13 -8.504 -10.446 4.362 1.00 15.23 H new ATOM 0 HG12 ILE A 13 -10.017 -12.003 4.925 1.00 24.34 H new ATOM 0 HG13 ILE A 13 -8.561 -12.969 5.060 1.00 24.34 H new ATOM 0 HG21 ILE A 13 -6.553 -12.070 4.724 1.00 52.31 H new ATOM 0 HG22 ILE A 13 -6.128 -10.400 5.167 1.00 52.31 H new ATOM 0 HG23 ILE A 13 -6.520 -11.584 6.436 1.00 52.31 H new ATOM 0 HD11 ILE A 13 -10.083 -13.412 6.928 1.00 3.22 H new ATOM 0 HD12 ILE A 13 -8.575 -12.674 7.520 1.00 3.22 H new ATOM 0 HD13 ILE A 13 -10.053 -11.692 7.383 1.00 3.22 H new ATOM 193 N CYS A 14 -8.084 -7.712 4.916 1.00 42.43 N ATOM 194 CA CYS A 14 -7.328 -6.497 4.620 1.00 71.02 C ATOM 195 C CYS A 14 -7.390 -5.444 5.726 1.00 75.44 C ATOM 196 O CYS A 14 -6.364 -4.814 6.005 1.00 53.24 O ATOM 197 CB CYS A 14 -7.670 -5.857 3.276 1.00 61.45 C ATOM 198 SG CYS A 14 -9.444 -5.791 2.941 1.00 44.54 S ATOM 0 H CYS A 14 -8.850 -7.928 4.278 1.00 42.43 H new ATOM 0 HA CYS A 14 -6.302 -6.860 4.559 1.00 71.02 H new ATOM 0 HB2 CYS A 14 -7.265 -4.845 3.251 1.00 61.45 H new ATOM 0 HB3 CYS A 14 -7.178 -6.417 2.480 1.00 61.45 H new ATOM 0 HG CYS A 14 -9.767 -4.596 2.545 1.00 44.54 H new ATOM 204 N LYS A 15 -8.555 -5.243 6.347 1.00 61.20 N ATOM 205 CA LYS A 15 -8.681 -4.278 7.435 1.00 71.41 C ATOM 206 C LYS A 15 -7.712 -4.625 8.558 1.00 64.32 C ATOM 207 O LYS A 15 -7.022 -3.726 9.037 1.00 53.44 O ATOM 208 CB LYS A 15 -10.126 -4.185 7.958 1.00 2.12 C ATOM 209 CG LYS A 15 -10.819 -2.895 7.494 1.00 72.43 C ATOM 210 CD LYS A 15 -12.165 -2.706 8.200 1.00 54.23 C ATOM 211 CE LYS A 15 -12.829 -1.356 7.904 1.00 22.04 C ATOM 212 NZ LYS A 15 -12.164 -0.214 8.571 1.00 53.52 N1+ ATOM 0 H LYS A 15 -9.418 -5.734 6.115 1.00 61.20 H new ATOM 0 HA LYS A 15 -8.424 -3.294 7.041 1.00 71.41 H new ATOM 0 HB2 LYS A 15 -10.694 -5.048 7.611 1.00 2.12 H new ATOM 0 HB3 LYS A 15 -10.121 -4.224 9.047 1.00 2.12 H new ATOM 0 HG2 LYS A 15 -10.175 -2.039 7.698 1.00 72.43 H new ATOM 0 HG3 LYS A 15 -10.972 -2.929 6.415 1.00 72.43 H new ATOM 0 HD2 LYS A 15 -12.840 -3.507 7.898 1.00 54.23 H new ATOM 0 HD3 LYS A 15 -12.018 -2.801 9.276 1.00 54.23 H new ATOM 0 HE2 LYS A 15 -12.829 -1.188 6.827 1.00 22.04 H new ATOM 0 HE3 LYS A 15 -13.871 -1.395 8.221 1.00 22.04 H new ATOM 0 HZ1 LYS A 15 -12.662 0.667 8.330 1.00 53.52 H new ATOM 0 HZ2 LYS A 15 -12.186 -0.353 9.601 1.00 53.52 H new ATOM 0 HZ3 LYS A 15 -11.176 -0.152 8.251 1.00 53.52 H new ATOM 226 N GLU A 16 -7.645 -5.891 8.971 1.00 32.01 N ATOM 227 CA GLU A 16 -6.732 -6.316 10.026 1.00 34.41 C ATOM 228 C GLU A 16 -5.280 -6.091 9.598 1.00 35.03 C ATOM 229 O GLU A 16 -4.481 -5.578 10.379 1.00 3.44 O ATOM 230 CB GLU A 16 -6.972 -7.781 10.427 1.00 11.31 C ATOM 231 CG GLU A 16 -8.411 -8.019 10.921 1.00 11.31 C ATOM 232 CD GLU A 16 -8.471 -9.073 12.021 1.00 44.31 C ATOM 233 OE1 GLU A 16 -8.495 -10.286 11.705 1.00 73.22 O ATOM 234 OE2 GLU A 16 -8.578 -8.688 13.205 1.00 55.10 O1- ATOM 0 H GLU A 16 -8.217 -6.643 8.586 1.00 32.01 H new ATOM 0 HA GLU A 16 -6.930 -5.706 10.907 1.00 34.41 H new ATOM 0 HB2 GLU A 16 -6.771 -8.428 9.573 1.00 11.31 H new ATOM 0 HB3 GLU A 16 -6.269 -8.061 11.211 1.00 11.31 H new ATOM 0 HG2 GLU A 16 -8.826 -7.082 11.294 1.00 11.31 H new ATOM 0 HG3 GLU A 16 -9.034 -8.333 10.084 1.00 11.31 H new ATOM 241 N ARG A 17 -4.926 -6.432 8.351 1.00 63.14 N ATOM 242 CA ARG A 17 -3.544 -6.276 7.895 1.00 23.14 C ATOM 243 C ARG A 17 -3.103 -4.798 7.879 1.00 53.13 C ATOM 244 O ARG A 17 -1.940 -4.530 8.183 1.00 22.52 O ATOM 245 CB ARG A 17 -3.329 -7.004 6.553 1.00 51.25 C ATOM 246 CG ARG A 17 -3.262 -8.540 6.716 1.00 12.51 C ATOM 247 CD ARG A 17 -2.806 -9.203 5.401 1.00 23.13 C ATOM 248 NE ARG A 17 -2.565 -10.666 5.474 1.00 4.42 N ATOM 249 CZ ARG A 17 -1.670 -11.345 6.215 1.00 41.23 C ATOM 250 NH1 ARG A 17 -0.884 -10.717 7.077 1.00 10.31 N1+ ATOM 251 NH2 ARG A 17 -1.582 -12.661 6.079 1.00 54.34 N ATOM 0 H ARG A 17 -5.567 -6.811 7.654 1.00 63.14 H new ATOM 0 HA ARG A 17 -2.885 -6.758 8.618 1.00 23.14 H new ATOM 0 HB2 ARG A 17 -4.141 -6.749 5.871 1.00 51.25 H new ATOM 0 HB3 ARG A 17 -2.405 -6.650 6.095 1.00 51.25 H new ATOM 0 HG2 ARG A 17 -2.570 -8.797 7.518 1.00 12.51 H new ATOM 0 HG3 ARG A 17 -4.241 -8.924 7.004 1.00 12.51 H new ATOM 0 HD2 ARG A 17 -3.561 -9.014 4.638 1.00 23.13 H new ATOM 0 HD3 ARG A 17 -1.889 -8.717 5.068 1.00 23.13 H new ATOM 0 HE ARG A 17 -3.163 -11.238 4.878 1.00 4.42 H new ATOM 0 HH11 ARG A 17 -0.952 -9.705 7.186 1.00 10.31 H new ATOM 0 HH12 ARG A 17 -0.210 -11.245 7.632 1.00 10.31 H new ATOM 0 HH21 ARG A 17 -2.189 -13.147 5.419 1.00 54.34 H new ATOM 0 HH22 ARG A 17 -0.908 -13.187 6.635 1.00 54.34 H new ATOM 265 N MET A 18 -3.988 -3.832 7.598 1.00 71.35 N ATOM 266 CA MET A 18 -3.770 -2.395 7.709 1.00 21.12 C ATOM 267 C MET A 18 -3.756 -1.828 9.144 1.00 10.24 C ATOM 268 O MET A 18 -3.791 -0.604 9.280 1.00 60.01 O ATOM 269 CB MET A 18 -4.868 -1.711 6.873 1.00 35.41 C ATOM 270 CG MET A 18 -4.343 -1.148 5.558 1.00 63.51 C ATOM 271 SD MET A 18 -3.932 -2.325 4.261 1.00 62.02 S ATOM 272 CE MET A 18 -2.145 -2.479 4.421 1.00 72.55 C ATOM 0 H MET A 18 -4.928 -4.052 7.268 1.00 71.35 H new ATOM 0 HA MET A 18 -2.764 -2.190 7.342 1.00 21.12 H new ATOM 0 HB2 MET A 18 -5.661 -2.430 6.665 1.00 35.41 H new ATOM 0 HB3 MET A 18 -5.314 -0.905 7.456 1.00 35.41 H new ATOM 0 HG2 MET A 18 -5.090 -0.459 5.164 1.00 63.51 H new ATOM 0 HG3 MET A 18 -3.451 -0.560 5.775 1.00 63.51 H new ATOM 0 HE1 MET A 18 -1.761 -3.109 3.619 1.00 72.55 H new ATOM 0 HE2 MET A 18 -1.688 -1.492 4.358 1.00 72.55 H new ATOM 0 HE3 MET A 18 -1.903 -2.930 5.384 1.00 72.55 H new ATOM 282 N ARG A 19 -3.700 -2.636 10.212 1.00 70.53 N ATOM 283 CA ARG A 19 -3.713 -2.149 11.597 1.00 32.31 C ATOM 284 C ARG A 19 -2.498 -1.247 11.814 1.00 1.35 C ATOM 285 O ARG A 19 -2.687 -0.060 12.077 1.00 33.22 O ATOM 286 CB ARG A 19 -3.697 -3.317 12.606 1.00 55.31 C ATOM 287 CG ARG A 19 -5.059 -3.871 13.034 1.00 70.22 C ATOM 288 CD ARG A 19 -5.726 -3.064 14.161 1.00 11.33 C ATOM 289 NE ARG A 19 -6.627 -3.937 14.925 1.00 22.22 N ATOM 290 CZ ARG A 19 -7.287 -3.679 16.059 1.00 44.22 C ATOM 291 NH1 ARG A 19 -7.416 -2.440 16.528 1.00 3.14 N1+ ATOM 292 NH2 ARG A 19 -7.828 -4.695 16.712 1.00 44.53 N ATOM 0 H ARG A 19 -3.644 -3.652 10.138 1.00 70.53 H new ATOM 0 HA ARG A 19 -4.632 -1.587 11.764 1.00 32.31 H new ATOM 0 HB2 ARG A 19 -3.118 -4.133 12.174 1.00 55.31 H new ATOM 0 HB3 ARG A 19 -3.167 -2.988 13.500 1.00 55.31 H new ATOM 0 HG2 ARG A 19 -5.723 -3.889 12.169 1.00 70.22 H new ATOM 0 HG3 ARG A 19 -4.935 -4.903 13.362 1.00 70.22 H new ATOM 0 HD2 ARG A 19 -4.966 -2.643 14.819 1.00 11.33 H new ATOM 0 HD3 ARG A 19 -6.284 -2.227 13.742 1.00 11.33 H new ATOM 0 HE ARG A 19 -6.769 -4.869 14.537 1.00 22.22 H new ATOM 0 HH11 ARG A 19 -7.006 -1.657 16.019 1.00 3.14 H new ATOM 0 HH12 ARG A 19 -7.925 -2.274 17.396 1.00 3.14 H new ATOM 0 HH21 ARG A 19 -7.735 -5.643 16.347 1.00 44.53 H new ATOM 0 HH22 ARG A 19 -8.338 -4.530 17.580 1.00 44.53 H new ATOM 306 N PRO A 20 -1.262 -1.751 11.625 1.00 55.23 N ATOM 307 CA PRO A 20 -0.048 -0.994 11.891 1.00 5.31 C ATOM 308 C PRO A 20 0.019 0.357 11.174 1.00 5.24 C ATOM 309 O PRO A 20 0.603 1.314 11.688 1.00 22.40 O ATOM 310 CB PRO A 20 1.079 -1.925 11.435 1.00 24.21 C ATOM 311 CG PRO A 20 0.448 -2.956 10.524 1.00 41.52 C ATOM 312 CD PRO A 20 -0.883 -3.106 11.227 1.00 62.13 C ATOM 0 HA PRO A 20 0.013 -0.721 12.945 1.00 5.31 H new ATOM 0 HB2 PRO A 20 1.854 -1.367 10.910 1.00 24.21 H new ATOM 0 HB3 PRO A 20 1.556 -2.404 12.290 1.00 24.21 H new ATOM 0 HG2 PRO A 20 0.345 -2.605 9.497 1.00 41.52 H new ATOM 0 HG3 PRO A 20 1.013 -3.888 10.487 1.00 41.52 H new ATOM 0 HD2 PRO A 20 -1.630 -3.546 10.566 1.00 62.13 H new ATOM 0 HD3 PRO A 20 -0.799 -3.762 12.094 1.00 62.13 H new ATOM 320 N VAL A 21 -0.592 0.462 9.996 1.00 53.43 N ATOM 321 CA VAL A 21 -0.478 1.609 9.105 1.00 65.33 C ATOM 322 C VAL A 21 -1.764 2.445 9.095 1.00 34.13 C ATOM 323 O VAL A 21 -1.934 3.253 8.187 1.00 65.24 O ATOM 324 CB VAL A 21 -0.014 1.138 7.710 1.00 4.30 C ATOM 325 CG1 VAL A 21 1.455 0.698 7.781 1.00 52.03 C ATOM 326 CG2 VAL A 21 -0.846 -0.024 7.131 1.00 41.14 C ATOM 0 H VAL A 21 -1.197 -0.271 9.626 1.00 53.43 H new ATOM 0 HA VAL A 21 0.288 2.290 9.476 1.00 65.33 H new ATOM 0 HB VAL A 21 -0.149 1.990 7.044 1.00 4.30 H new ATOM 0 HG11 VAL A 21 1.783 0.365 6.796 1.00 52.03 H new ATOM 0 HG12 VAL A 21 2.071 1.537 8.104 1.00 52.03 H new ATOM 0 HG13 VAL A 21 1.555 -0.121 8.493 1.00 52.03 H new ATOM 0 HG21 VAL A 21 -0.457 -0.296 6.150 1.00 41.14 H new ATOM 0 HG22 VAL A 21 -0.783 -0.884 7.798 1.00 41.14 H new ATOM 0 HG23 VAL A 21 -1.887 0.286 7.036 1.00 41.14 H new ATOM 336 N LYS A 22 -2.668 2.294 10.074 1.00 4.01 N ATOM 337 CA LYS A 22 -3.935 3.032 10.099 1.00 52.15 C ATOM 338 C LYS A 22 -3.774 4.543 9.885 1.00 32.24 C ATOM 339 O LYS A 22 -4.548 5.125 9.113 1.00 35.14 O ATOM 340 CB LYS A 22 -4.685 2.777 11.424 1.00 14.31 C ATOM 341 CG LYS A 22 -5.829 1.744 11.334 1.00 51.24 C ATOM 342 CD LYS A 22 -6.993 2.180 12.245 1.00 4.42 C ATOM 343 CE LYS A 22 -8.285 1.380 12.055 1.00 30.13 C ATOM 344 NZ LYS A 22 -8.193 0.008 12.592 1.00 62.13 N1+ ATOM 0 H LYS A 22 -2.541 1.661 10.864 1.00 4.01 H new ATOM 0 HA LYS A 22 -4.514 2.653 9.257 1.00 52.15 H new ATOM 0 HB2 LYS A 22 -3.968 2.439 12.172 1.00 14.31 H new ATOM 0 HB3 LYS A 22 -5.095 3.722 11.780 1.00 14.31 H new ATOM 0 HG2 LYS A 22 -6.174 1.657 10.304 1.00 51.24 H new ATOM 0 HG3 LYS A 22 -5.468 0.760 11.634 1.00 51.24 H new ATOM 0 HD2 LYS A 22 -6.676 2.092 13.284 1.00 4.42 H new ATOM 0 HD3 LYS A 22 -7.204 3.234 12.064 1.00 4.42 H new ATOM 0 HE2 LYS A 22 -9.106 1.903 12.546 1.00 30.13 H new ATOM 0 HE3 LYS A 22 -8.526 1.334 10.993 1.00 30.13 H new ATOM 0 HZ1 LYS A 22 -9.094 -0.487 12.436 1.00 62.13 H new ATOM 0 HZ2 LYS A 22 -7.429 -0.504 12.107 1.00 62.13 H new ATOM 0 HZ3 LYS A 22 -7.991 0.047 13.611 1.00 62.13 H new ATOM 358 N ALA A 23 -2.796 5.178 10.542 1.00 3.10 N ATOM 359 CA ALA A 23 -2.553 6.606 10.379 1.00 60.23 C ATOM 360 C ALA A 23 -2.107 6.913 8.955 1.00 22.25 C ATOM 361 O ALA A 23 -2.582 7.874 8.358 1.00 61.41 O ATOM 362 CB ALA A 23 -1.478 7.093 11.355 1.00 13.54 C ATOM 0 H ALA A 23 -2.160 4.718 11.193 1.00 3.10 H new ATOM 0 HA ALA A 23 -3.488 7.126 10.589 1.00 60.23 H new ATOM 0 HB1 ALA A 23 -1.315 8.161 11.213 1.00 13.54 H new ATOM 0 HB2 ALA A 23 -1.805 6.908 12.378 1.00 13.54 H new ATOM 0 HB3 ALA A 23 -0.548 6.556 11.169 1.00 13.54 H new ATOM 368 N ALA A 24 -1.184 6.116 8.411 1.00 33.30 N ATOM 369 CA ALA A 24 -0.698 6.291 7.050 1.00 54.32 C ATOM 370 C ALA A 24 -1.853 6.171 6.055 1.00 25.33 C ATOM 371 O ALA A 24 -1.958 6.993 5.153 1.00 41.25 O ATOM 372 CB ALA A 24 0.412 5.275 6.757 1.00 1.31 C ATOM 0 H ALA A 24 -0.756 5.333 8.905 1.00 33.30 H new ATOM 0 HA ALA A 24 -0.275 7.290 6.942 1.00 54.32 H new ATOM 0 HB1 ALA A 24 0.771 5.412 5.737 1.00 1.31 H new ATOM 0 HB2 ALA A 24 1.236 5.425 7.455 1.00 1.31 H new ATOM 0 HB3 ALA A 24 0.020 4.264 6.871 1.00 1.31 H new ATOM 378 N LEU A 25 -2.708 5.166 6.252 1.00 62.25 N ATOM 379 CA LEU A 25 -3.894 4.870 5.462 1.00 63.42 C ATOM 380 C LEU A 25 -4.797 6.106 5.397 1.00 64.02 C ATOM 381 O LEU A 25 -5.127 6.574 4.314 1.00 34.33 O ATOM 382 CB LEU A 25 -4.611 3.658 6.096 1.00 1.32 C ATOM 383 CG LEU A 25 -5.540 2.879 5.150 1.00 2.24 C ATOM 384 CD1 LEU A 25 -4.735 1.930 4.253 1.00 2.21 C ATOM 385 CD2 LEU A 25 -6.508 2.022 5.977 1.00 60.44 C ATOM 0 H LEU A 25 -2.579 4.500 7.014 1.00 62.25 H new ATOM 0 HA LEU A 25 -3.625 4.616 4.437 1.00 63.42 H new ATOM 0 HB2 LEU A 25 -3.858 2.973 6.485 1.00 1.32 H new ATOM 0 HB3 LEU A 25 -5.195 4.006 6.948 1.00 1.32 H new ATOM 0 HG LEU A 25 -6.077 3.602 4.536 1.00 2.24 H new ATOM 0 HD11 LEU A 25 -5.414 1.390 3.593 1.00 2.21 H new ATOM 0 HD12 LEU A 25 -4.029 2.506 3.655 1.00 2.21 H new ATOM 0 HD13 LEU A 25 -4.190 1.219 4.873 1.00 2.21 H new ATOM 0 HD21 LEU A 25 -7.167 1.469 5.308 1.00 60.44 H new ATOM 0 HD22 LEU A 25 -5.941 1.320 6.589 1.00 60.44 H new ATOM 0 HD23 LEU A 25 -7.104 2.667 6.623 1.00 60.44 H new ATOM 397 N LYS A 26 -5.193 6.657 6.552 1.00 54.00 N ATOM 398 CA LYS A 26 -6.100 7.802 6.578 1.00 74.52 C ATOM 399 C LYS A 26 -5.463 9.074 6.023 1.00 13.22 C ATOM 400 O LYS A 26 -6.107 9.836 5.317 1.00 65.43 O ATOM 401 CB LYS A 26 -6.588 8.046 8.003 1.00 21.25 C ATOM 402 CG LYS A 26 -7.875 7.253 8.272 1.00 45.03 C ATOM 403 CD LYS A 26 -8.553 7.585 9.607 1.00 54.44 C ATOM 404 CE LYS A 26 -7.609 7.448 10.811 1.00 30.32 C ATOM 405 NZ LYS A 26 -7.095 8.754 11.270 1.00 3.34 N1+ ATOM 0 H LYS A 26 -4.900 6.328 7.472 1.00 54.00 H new ATOM 0 HA LYS A 26 -6.942 7.557 5.930 1.00 74.52 H new ATOM 0 HB2 LYS A 26 -5.816 7.751 8.714 1.00 21.25 H new ATOM 0 HB3 LYS A 26 -6.771 9.110 8.154 1.00 21.25 H new ATOM 0 HG2 LYS A 26 -8.580 7.442 7.463 1.00 45.03 H new ATOM 0 HG3 LYS A 26 -7.643 6.188 8.250 1.00 45.03 H new ATOM 0 HD2 LYS A 26 -8.938 8.604 9.569 1.00 54.44 H new ATOM 0 HD3 LYS A 26 -9.409 6.925 9.747 1.00 54.44 H new ATOM 0 HE2 LYS A 26 -8.137 6.959 11.630 1.00 30.32 H new ATOM 0 HE3 LYS A 26 -6.771 6.804 10.542 1.00 30.32 H new ATOM 0 HZ1 LYS A 26 -6.463 8.612 12.083 1.00 3.34 H new ATOM 0 HZ2 LYS A 26 -6.569 9.211 10.498 1.00 3.34 H new ATOM 0 HZ3 LYS A 26 -7.891 9.361 11.552 1.00 3.34 H new ATOM 419 N GLN A 27 -4.191 9.313 6.324 1.00 44.31 N ATOM 420 CA GLN A 27 -3.470 10.464 5.781 1.00 45.20 C ATOM 421 C GLN A 27 -3.291 10.422 4.256 1.00 75.11 C ATOM 422 O GLN A 27 -2.676 11.351 3.715 1.00 3.23 O ATOM 423 CB GLN A 27 -2.097 10.592 6.441 1.00 63.33 C ATOM 424 CG GLN A 27 -2.178 11.049 7.889 1.00 62.13 C ATOM 425 CD GLN A 27 -0.774 11.276 8.422 1.00 71.01 C ATOM 426 OE1 GLN A 27 -0.277 12.401 8.454 1.00 33.44 O ATOM 427 NE2 GLN A 27 -0.100 10.219 8.844 1.00 1.20 N ATOM 0 H GLN A 27 -3.634 8.724 6.943 1.00 44.31 H new ATOM 0 HA GLN A 27 -4.090 11.332 6.007 1.00 45.20 H new ATOM 0 HB2 GLN A 27 -1.587 9.630 6.397 1.00 63.33 H new ATOM 0 HB3 GLN A 27 -1.492 11.300 5.875 1.00 63.33 H new ATOM 0 HG2 GLN A 27 -2.760 11.968 7.960 1.00 62.13 H new ATOM 0 HG3 GLN A 27 -2.691 10.299 8.491 1.00 62.13 H new ATOM 0 HE21 GLN A 27 -0.528 9.294 8.810 1.00 1.20 H new ATOM 0 HE22 GLN A 27 0.848 10.329 9.204 1.00 1.20 H new ATOM 436 N LEU A 28 -3.743 9.368 3.571 1.00 32.11 N ATOM 437 CA LEU A 28 -3.884 9.337 2.129 1.00 1.43 C ATOM 438 C LEU A 28 -5.348 9.497 1.721 1.00 13.42 C ATOM 439 O LEU A 28 -5.596 10.151 0.708 1.00 2.11 O ATOM 440 CB LEU A 28 -3.296 8.035 1.551 1.00 33.02 C ATOM 441 CG LEU A 28 -1.827 8.100 1.100 1.00 3.21 C ATOM 442 CD1 LEU A 28 -1.610 9.180 0.029 1.00 34.30 C ATOM 443 CD2 LEU A 28 -0.838 8.296 2.253 1.00 62.12 C ATOM 0 H LEU A 28 -4.025 8.498 4.022 1.00 32.11 H new ATOM 0 HA LEU A 28 -3.324 10.177 1.717 1.00 1.43 H new ATOM 0 HB2 LEU A 28 -3.390 7.252 2.303 1.00 33.02 H new ATOM 0 HB3 LEU A 28 -3.904 7.732 0.698 1.00 33.02 H new ATOM 0 HG LEU A 28 -1.618 7.122 0.667 1.00 3.21 H new ATOM 0 HD11 LEU A 28 -0.560 9.196 -0.264 1.00 34.30 H new ATOM 0 HD12 LEU A 28 -2.227 8.958 -0.842 1.00 34.30 H new ATOM 0 HD13 LEU A 28 -1.889 10.154 0.432 1.00 34.30 H new ATOM 0 HD21 LEU A 28 0.178 8.332 1.859 1.00 62.12 H new ATOM 0 HD22 LEU A 28 -1.061 9.230 2.769 1.00 62.12 H new ATOM 0 HD23 LEU A 28 -0.926 7.465 2.953 1.00 62.12 H new ATOM 455 N ASP A 29 -6.297 8.931 2.475 1.00 4.35 N ATOM 456 CA ASP A 29 -7.709 8.972 2.111 1.00 23.20 C ATOM 457 C ASP A 29 -8.299 10.371 2.201 1.00 70.54 C ATOM 458 O ASP A 29 -9.041 10.770 1.298 1.00 54.23 O ATOM 459 CB ASP A 29 -8.545 7.935 2.873 1.00 44.14 C ATOM 460 CG ASP A 29 -9.353 8.378 4.096 1.00 22.52 C ATOM 461 OD1 ASP A 29 -8.783 8.828 5.107 1.00 42.44 O ATOM 462 OD2 ASP A 29 -10.582 8.126 4.138 1.00 31.42 O1- ATOM 0 H ASP A 29 -6.106 8.437 3.347 1.00 4.35 H new ATOM 0 HA ASP A 29 -7.755 8.690 1.059 1.00 23.20 H new ATOM 0 HB2 ASP A 29 -9.242 7.490 2.163 1.00 44.14 H new ATOM 0 HB3 ASP A 29 -7.870 7.143 3.196 1.00 44.14 H new ATOM 467 N ARG A 30 -7.950 11.127 3.247 1.00 1.15 N ATOM 468 CA ARG A 30 -8.301 12.543 3.348 1.00 60.23 C ATOM 469 C ARG A 30 -7.102 13.332 3.882 1.00 21.12 C ATOM 470 O ARG A 30 -6.397 12.834 4.765 1.00 42.23 O ATOM 471 CB ARG A 30 -9.552 12.732 4.230 1.00 12.30 C ATOM 472 CG ARG A 30 -10.753 11.893 3.751 1.00 32.22 C ATOM 473 CD ARG A 30 -12.074 12.300 4.407 1.00 61.42 C ATOM 474 NE ARG A 30 -12.630 13.472 3.719 1.00 74.33 N ATOM 475 CZ ARG A 30 -12.925 14.671 4.223 1.00 54.25 C ATOM 476 NH1 ARG A 30 -13.004 14.861 5.537 1.00 2.44 N1+ ATOM 477 NH2 ARG A 30 -13.126 15.663 3.363 1.00 42.22 N ATOM 0 H ARG A 30 -7.419 10.774 4.043 1.00 1.15 H new ATOM 0 HA ARG A 30 -8.547 12.927 2.358 1.00 60.23 H new ATOM 0 HB2 ARG A 30 -9.311 12.459 5.258 1.00 12.30 H new ATOM 0 HB3 ARG A 30 -9.830 13.786 4.237 1.00 12.30 H new ATOM 0 HG2 ARG A 30 -10.847 11.990 2.669 1.00 32.22 H new ATOM 0 HG3 ARG A 30 -10.560 10.841 3.961 1.00 32.22 H new ATOM 0 HD2 ARG A 30 -12.782 11.472 4.365 1.00 61.42 H new ATOM 0 HD3 ARG A 30 -11.912 12.528 5.461 1.00 61.42 H new ATOM 0 HE ARG A 30 -12.815 13.353 2.723 1.00 74.33 H new ATOM 0 HH11 ARG A 30 -12.838 14.083 6.176 1.00 2.44 H new ATOM 0 HH12 ARG A 30 -13.231 15.784 5.906 1.00 2.44 H new ATOM 0 HH21 ARG A 30 -13.052 15.491 2.360 1.00 42.22 H new ATOM 0 HH22 ARG A 30 -13.354 16.596 3.705 1.00 42.22 H new ATOM 491 N PRO A 31 -6.888 14.574 3.413 1.00 42.22 N ATOM 492 CA PRO A 31 -5.674 15.325 3.713 1.00 54.35 C ATOM 493 C PRO A 31 -5.573 15.664 5.201 1.00 4.11 C ATOM 494 O PRO A 31 -6.585 15.840 5.879 1.00 74.21 O ATOM 495 CB PRO A 31 -5.727 16.584 2.842 1.00 32.13 C ATOM 496 CG PRO A 31 -7.203 16.729 2.476 1.00 42.02 C ATOM 497 CD PRO A 31 -7.703 15.291 2.447 1.00 44.54 C ATOM 0 HA PRO A 31 -4.783 14.737 3.492 1.00 54.35 H new ATOM 0 HB2 PRO A 31 -5.364 17.458 3.383 1.00 32.13 H new ATOM 0 HB3 PRO A 31 -5.105 16.479 1.953 1.00 32.13 H new ATOM 0 HG2 PRO A 31 -7.742 17.327 3.211 1.00 42.02 H new ATOM 0 HG3 PRO A 31 -7.331 17.218 1.511 1.00 42.02 H new ATOM 0 HD2 PRO A 31 -8.760 15.238 2.710 1.00 44.54 H new ATOM 0 HD3 PRO A 31 -7.600 14.860 1.451 1.00 44.54 H new ATOM 505 N GLU A 32 -4.351 15.806 5.702 1.00 1.13 N ATOM 506 CA GLU A 32 -4.045 16.003 7.112 1.00 30.44 C ATOM 507 C GLU A 32 -3.231 17.296 7.251 1.00 4.33 C ATOM 508 O GLU A 32 -2.476 17.651 6.347 1.00 30.13 O ATOM 509 CB GLU A 32 -3.262 14.765 7.585 1.00 33.11 C ATOM 510 CG GLU A 32 -3.144 14.620 9.111 1.00 14.44 C ATOM 511 CD GLU A 32 -4.086 13.558 9.691 1.00 31.31 C ATOM 512 OE1 GLU A 32 -5.297 13.515 9.362 1.00 23.13 O1- ATOM 513 OE2 GLU A 32 -3.621 12.743 10.528 1.00 41.22 O ATOM 0 H GLU A 32 -3.517 15.786 5.115 1.00 1.13 H new ATOM 0 HA GLU A 32 -4.939 16.107 7.727 1.00 30.44 H new ATOM 0 HB2 GLU A 32 -3.745 13.873 7.186 1.00 33.11 H new ATOM 0 HB3 GLU A 32 -2.259 14.802 7.159 1.00 33.11 H new ATOM 0 HG2 GLU A 32 -2.116 14.363 9.367 1.00 14.44 H new ATOM 0 HG3 GLU A 32 -3.358 15.581 9.579 1.00 14.44 H new ATOM 520 N LYS A 33 -3.352 18.011 8.374 1.00 52.24 N ATOM 521 CA LYS A 33 -2.573 19.213 8.674 1.00 32.14 C ATOM 522 C LYS A 33 -2.212 19.280 10.156 1.00 2.41 C ATOM 523 O LYS A 33 -2.248 20.351 10.763 1.00 0.40 O ATOM 524 CB LYS A 33 -3.295 20.485 8.174 1.00 62.42 C ATOM 525 CG LYS A 33 -2.968 20.761 6.706 1.00 63.41 C ATOM 526 CD LYS A 33 -3.282 22.212 6.318 1.00 51.51 C ATOM 527 CE LYS A 33 -2.383 22.642 5.157 1.00 43.22 C ATOM 528 NZ LYS A 33 -2.633 21.885 3.915 1.00 43.21 N1+ ATOM 0 H LYS A 33 -4.009 17.764 9.114 1.00 52.24 H new ATOM 0 HA LYS A 33 -1.631 19.157 8.128 1.00 32.14 H new ATOM 0 HB2 LYS A 33 -4.372 20.367 8.294 1.00 62.42 H new ATOM 0 HB3 LYS A 33 -2.998 21.339 8.783 1.00 62.42 H new ATOM 0 HG2 LYS A 33 -1.913 20.555 6.523 1.00 63.41 H new ATOM 0 HG3 LYS A 33 -3.539 20.083 6.072 1.00 63.41 H new ATOM 0 HD2 LYS A 33 -4.330 22.303 6.032 1.00 51.51 H new ATOM 0 HD3 LYS A 33 -3.126 22.869 7.174 1.00 51.51 H new ATOM 0 HE2 LYS A 33 -2.534 23.704 4.964 1.00 43.22 H new ATOM 0 HE3 LYS A 33 -1.340 22.516 5.448 1.00 43.22 H new ATOM 0 HZ1 LYS A 33 -1.971 22.199 3.178 1.00 43.21 H new ATOM 0 HZ2 LYS A 33 -2.496 20.870 4.094 1.00 43.21 H new ATOM 0 HZ3 LYS A 33 -3.609 22.052 3.597 1.00 43.21 H new ATOM 542 N GLY A 34 -1.835 18.148 10.744 1.00 62.23 N ATOM 543 CA GLY A 34 -1.355 18.122 12.109 1.00 43.33 C ATOM 544 C GLY A 34 0.058 18.684 12.213 1.00 1.12 C ATOM 545 O GLY A 34 0.316 19.527 13.075 1.00 35.04 O ATOM 0 H GLY A 34 -1.856 17.236 10.288 1.00 62.23 H new ATOM 0 HA2 GLY A 34 -2.026 18.701 12.743 1.00 43.33 H new ATOM 0 HA3 GLY A 34 -1.369 17.098 12.482 1.00 43.33 H new ATOM 549 N LEU A 35 0.971 18.225 11.343 1.00 20.30 N ATOM 550 CA LEU A 35 2.366 18.660 11.368 1.00 75.01 C ATOM 551 C LEU A 35 2.477 20.067 10.764 1.00 50.32 C ATOM 552 O LEU A 35 2.451 21.046 11.504 1.00 62.14 O ATOM 553 CB LEU A 35 3.311 17.658 10.673 1.00 30.55 C ATOM 554 CG LEU A 35 3.363 16.256 11.317 1.00 75.10 C ATOM 555 CD1 LEU A 35 2.477 15.273 10.549 1.00 74.41 C ATOM 556 CD2 LEU A 35 4.800 15.711 11.315 1.00 10.10 C ATOM 0 H LEU A 35 0.760 17.548 10.610 1.00 20.30 H new ATOM 0 HA LEU A 35 2.692 18.697 12.408 1.00 75.01 H new ATOM 0 HB2 LEU A 35 3.003 17.552 9.633 1.00 30.55 H new ATOM 0 HB3 LEU A 35 4.318 18.076 10.666 1.00 30.55 H new ATOM 0 HG LEU A 35 3.004 16.355 12.342 1.00 75.10 H new ATOM 0 HD11 LEU A 35 2.529 14.292 11.020 1.00 74.41 H new ATOM 0 HD12 LEU A 35 1.446 15.627 10.560 1.00 74.41 H new ATOM 0 HD13 LEU A 35 2.824 15.199 9.518 1.00 74.41 H new ATOM 0 HD21 LEU A 35 4.815 14.722 11.773 1.00 10.10 H new ATOM 0 HD22 LEU A 35 5.161 15.641 10.289 1.00 10.10 H new ATOM 0 HD23 LEU A 35 5.445 16.383 11.881 1.00 10.10 H new ATOM 568 N SER A 36 2.598 20.164 9.439 1.00 13.30 N ATOM 569 CA SER A 36 2.707 21.360 8.614 1.00 21.20 C ATOM 570 C SER A 36 2.690 20.899 7.156 1.00 65.31 C ATOM 571 O SER A 36 2.734 19.697 6.885 1.00 60.15 O ATOM 572 CB SER A 36 4.027 22.068 8.913 1.00 50.44 C ATOM 573 OG SER A 36 4.103 23.346 8.319 1.00 62.23 O ATOM 0 H SER A 36 2.624 19.322 8.864 1.00 13.30 H new ATOM 0 HA SER A 36 1.889 22.052 8.815 1.00 21.20 H new ATOM 0 HB2 SER A 36 4.147 22.165 9.992 1.00 50.44 H new ATOM 0 HB3 SER A 36 4.854 21.455 8.554 1.00 50.44 H new ATOM 0 HG SER A 36 4.964 23.759 8.540 1.00 62.23 H new ATOM 579 N GLU A 37 2.688 21.827 6.204 1.00 43.12 N ATOM 580 CA GLU A 37 2.575 21.493 4.790 1.00 23.33 C ATOM 581 C GLU A 37 3.848 20.867 4.233 1.00 0.42 C ATOM 582 O GLU A 37 3.781 19.952 3.404 1.00 53.05 O ATOM 583 CB GLU A 37 2.231 22.721 3.939 1.00 4.24 C ATOM 584 CG GLU A 37 0.737 23.057 3.976 1.00 51.34 C ATOM 585 CD GLU A 37 0.232 23.536 2.611 1.00 10.03 C ATOM 586 OE1 GLU A 37 0.891 24.418 2.004 1.00 32.52 O1- ATOM 587 OE2 GLU A 37 -0.854 23.071 2.182 1.00 20.55 O ATOM 0 H GLU A 37 2.764 22.827 6.391 1.00 43.12 H new ATOM 0 HA GLU A 37 1.766 20.765 4.732 1.00 23.33 H new ATOM 0 HB2 GLU A 37 2.802 23.578 4.295 1.00 4.24 H new ATOM 0 HB3 GLU A 37 2.535 22.542 2.908 1.00 4.24 H new ATOM 0 HG2 GLU A 37 0.173 22.177 4.285 1.00 51.34 H new ATOM 0 HG3 GLU A 37 0.556 23.830 4.723 1.00 51.34 H new ATOM 594 N ARG A 38 5.013 21.386 4.630 1.00 21.15 N ATOM 595 CA ARG A 38 6.282 20.834 4.168 1.00 61.30 C ATOM 596 C ARG A 38 6.579 19.520 4.892 1.00 25.54 C ATOM 597 O ARG A 38 7.189 18.628 4.307 1.00 2.34 O ATOM 598 CB ARG A 38 7.403 21.853 4.407 1.00 12.35 C ATOM 599 CG ARG A 38 8.665 21.550 3.574 1.00 63.40 C ATOM 600 CD ARG A 38 9.000 22.617 2.524 1.00 71.42 C ATOM 601 NE ARG A 38 8.058 22.620 1.387 1.00 64.41 N ATOM 602 CZ ARG A 38 7.634 23.699 0.714 1.00 71.50 C ATOM 603 NH1 ARG A 38 8.111 24.913 0.979 1.00 14.30 N1+ ATOM 604 NH2 ARG A 38 6.683 23.559 -0.203 1.00 51.23 N ATOM 0 H ARG A 38 5.100 22.180 5.264 1.00 21.15 H new ATOM 0 HA ARG A 38 6.220 20.627 3.100 1.00 61.30 H new ATOM 0 HB2 ARG A 38 7.041 22.851 4.161 1.00 12.35 H new ATOM 0 HB3 ARG A 38 7.663 21.860 5.465 1.00 12.35 H new ATOM 0 HG2 ARG A 38 9.514 21.442 4.249 1.00 63.40 H new ATOM 0 HG3 ARG A 38 8.533 20.592 3.072 1.00 63.40 H new ATOM 0 HD2 ARG A 38 8.994 23.599 2.997 1.00 71.42 H new ATOM 0 HD3 ARG A 38 10.010 22.448 2.152 1.00 71.42 H new ATOM 0 HE ARG A 38 7.696 21.716 1.085 1.00 64.41 H new ATOM 0 HH11 ARG A 38 8.814 25.037 1.707 1.00 14.30 H new ATOM 0 HH12 ARG A 38 7.773 25.719 0.454 1.00 14.30 H new ATOM 0 HH21 ARG A 38 6.284 22.639 -0.388 1.00 51.23 H new ATOM 0 HH22 ARG A 38 6.351 24.372 -0.722 1.00 51.23 H new ATOM 618 N GLU A 39 6.128 19.388 6.138 1.00 34.32 N ATOM 619 CA GLU A 39 6.246 18.154 6.897 1.00 22.23 C ATOM 620 C GLU A 39 5.404 17.073 6.236 1.00 4.10 C ATOM 621 O GLU A 39 5.910 15.975 6.015 1.00 34.05 O ATOM 622 CB GLU A 39 5.796 18.354 8.351 1.00 71.25 C ATOM 623 CG GLU A 39 6.658 19.345 9.138 1.00 31.04 C ATOM 624 CD GLU A 39 8.133 18.973 9.070 1.00 75.22 C ATOM 625 OE1 GLU A 39 8.510 17.893 9.581 1.00 14.54 O1- ATOM 626 OE2 GLU A 39 8.877 19.722 8.403 1.00 73.33 O ATOM 0 H GLU A 39 5.668 20.142 6.649 1.00 34.32 H new ATOM 0 HA GLU A 39 7.293 17.851 6.908 1.00 22.23 H new ATOM 0 HB2 GLU A 39 4.763 18.702 8.356 1.00 71.25 H new ATOM 0 HB3 GLU A 39 5.810 17.391 8.861 1.00 71.25 H new ATOM 0 HG2 GLU A 39 6.516 20.350 8.740 1.00 31.04 H new ATOM 0 HG3 GLU A 39 6.334 19.366 10.178 1.00 31.04 H new ATOM 633 N GLN A 40 4.149 17.385 5.883 1.00 75.44 N ATOM 634 CA GLN A 40 3.247 16.456 5.226 1.00 33.21 C ATOM 635 C GLN A 40 3.885 15.895 3.974 1.00 45.12 C ATOM 636 O GLN A 40 3.737 14.709 3.747 1.00 73.12 O ATOM 637 CB GLN A 40 1.903 17.120 4.890 1.00 44.22 C ATOM 638 CG GLN A 40 0.916 17.063 6.063 1.00 34.02 C ATOM 639 CD GLN A 40 0.450 15.634 6.354 1.00 3.44 C ATOM 640 OE1 GLN A 40 -0.173 14.962 5.534 1.00 24.20 O ATOM 641 NE2 GLN A 40 0.778 15.102 7.517 1.00 2.34 N ATOM 0 H GLN A 40 3.736 18.302 6.052 1.00 75.44 H new ATOM 0 HA GLN A 40 3.051 15.638 5.919 1.00 33.21 H new ATOM 0 HB2 GLN A 40 2.074 18.160 4.612 1.00 44.22 H new ATOM 0 HB3 GLN A 40 1.463 16.626 4.024 1.00 44.22 H new ATOM 0 HG2 GLN A 40 1.387 17.479 6.954 1.00 34.02 H new ATOM 0 HG3 GLN A 40 0.051 17.688 5.839 1.00 34.02 H new ATOM 0 HE21 GLN A 40 1.295 15.653 8.202 1.00 2.34 H new ATOM 0 HE22 GLN A 40 0.515 14.140 7.730 1.00 2.34 H new ATOM 650 N LEU A 41 4.626 16.709 3.220 1.00 41.12 N ATOM 651 CA LEU A 41 5.248 16.296 1.971 1.00 15.34 C ATOM 652 C LEU A 41 6.117 15.054 2.183 1.00 23.34 C ATOM 653 O LEU A 41 5.924 14.043 1.507 1.00 52.42 O ATOM 654 CB LEU A 41 6.035 17.492 1.400 1.00 21.03 C ATOM 655 CG LEU A 41 6.239 17.491 -0.127 1.00 0.11 C ATOM 656 CD1 LEU A 41 7.000 16.274 -0.654 1.00 22.31 C ATOM 657 CD2 LEU A 41 4.919 17.631 -0.894 1.00 65.33 C ATOM 0 H LEU A 41 4.810 17.682 3.466 1.00 41.12 H new ATOM 0 HA LEU A 41 4.491 16.007 1.242 1.00 15.34 H new ATOM 0 HB2 LEU A 41 5.517 18.410 1.678 1.00 21.03 H new ATOM 0 HB3 LEU A 41 7.014 17.521 1.879 1.00 21.03 H new ATOM 0 HG LEU A 41 6.858 18.370 -0.310 1.00 0.11 H new ATOM 0 HD11 LEU A 41 7.102 16.349 -1.737 1.00 22.31 H new ATOM 0 HD12 LEU A 41 7.990 16.238 -0.198 1.00 22.31 H new ATOM 0 HD13 LEU A 41 6.452 15.366 -0.403 1.00 22.31 H new ATOM 0 HD21 LEU A 41 5.118 17.625 -1.966 1.00 65.33 H new ATOM 0 HD22 LEU A 41 4.262 16.799 -0.642 1.00 65.33 H new ATOM 0 HD23 LEU A 41 4.437 18.569 -0.620 1.00 65.33 H new ATOM 669 N GLU A 42 7.075 15.098 3.118 1.00 33.24 N ATOM 670 CA GLU A 42 7.861 13.902 3.407 1.00 33.03 C ATOM 671 C GLU A 42 7.025 12.847 4.133 1.00 40.42 C ATOM 672 O GLU A 42 7.251 11.655 3.920 1.00 21.43 O ATOM 673 CB GLU A 42 9.159 14.212 4.178 1.00 30.51 C ATOM 674 CG GLU A 42 10.335 14.317 3.195 1.00 14.32 C ATOM 675 CD GLU A 42 11.735 14.191 3.805 1.00 3.02 C ATOM 676 OE1 GLU A 42 11.940 13.493 4.821 1.00 44.20 O ATOM 677 OE2 GLU A 42 12.691 14.706 3.167 1.00 2.14 O1- ATOM 0 H GLU A 42 7.316 15.922 3.669 1.00 33.24 H new ATOM 0 HA GLU A 42 8.162 13.492 2.443 1.00 33.03 H new ATOM 0 HB2 GLU A 42 9.051 15.145 4.731 1.00 30.51 H new ATOM 0 HB3 GLU A 42 9.354 13.429 4.910 1.00 30.51 H new ATOM 0 HG2 GLU A 42 10.220 13.542 2.437 1.00 14.32 H new ATOM 0 HG3 GLU A 42 10.269 15.276 2.682 1.00 14.32 H new ATOM 684 N HIS A 43 6.047 13.260 4.939 1.00 44.33 N ATOM 685 CA HIS A 43 5.178 12.336 5.650 1.00 44.01 C ATOM 686 C HIS A 43 4.449 11.431 4.659 1.00 54.41 C ATOM 687 O HIS A 43 4.340 10.241 4.936 1.00 14.03 O ATOM 688 CB HIS A 43 4.189 13.093 6.549 1.00 30.04 C ATOM 689 CG HIS A 43 3.857 12.364 7.822 1.00 15.00 C ATOM 690 ND1 HIS A 43 4.646 12.303 8.948 1.00 21.13 N ATOM 691 CD2 HIS A 43 2.707 11.672 8.075 1.00 25.41 C ATOM 692 CE1 HIS A 43 3.964 11.623 9.886 1.00 13.25 C ATOM 693 NE2 HIS A 43 2.791 11.185 9.389 1.00 71.41 N ATOM 0 H HIS A 43 5.839 14.243 5.114 1.00 44.33 H new ATOM 0 HA HIS A 43 5.791 11.709 6.297 1.00 44.01 H new ATOM 0 HB2 HIS A 43 4.608 14.068 6.797 1.00 30.04 H new ATOM 0 HB3 HIS A 43 3.269 13.274 5.993 1.00 30.04 H new ATOM 0 HD1 HIS A 43 5.579 12.702 9.052 1.00 21.13 H new ATOM 0 HD2 HIS A 43 1.885 11.526 7.390 1.00 25.41 H new ATOM 0 HE1 HIS A 43 4.308 11.452 10.895 1.00 13.25 H new ATOM 701 N THR A 44 3.992 11.956 3.512 1.00 62.13 N ATOM 702 CA THR A 44 3.317 11.172 2.486 1.00 71.14 C ATOM 703 C THR A 44 4.242 10.073 1.975 1.00 32.51 C ATOM 704 O THR A 44 3.846 8.915 1.868 1.00 73.14 O ATOM 705 CB THR A 44 2.874 12.022 1.280 1.00 22.00 C ATOM 706 OG1 THR A 44 2.649 13.393 1.519 1.00 22.10 O ATOM 707 CG2 THR A 44 1.611 11.417 0.681 1.00 62.22 C ATOM 0 H THR A 44 4.085 12.944 3.276 1.00 62.13 H new ATOM 0 HA THR A 44 2.428 10.753 2.956 1.00 71.14 H new ATOM 0 HB THR A 44 3.726 11.993 0.601 1.00 22.00 H new ATOM 0 HG1 THR A 44 3.507 13.845 1.663 1.00 22.10 H new ATOM 0 HG21 THR A 44 1.292 12.014 -0.173 1.00 62.22 H new ATOM 0 HG22 THR A 44 1.815 10.397 0.355 1.00 62.22 H new ATOM 0 HG23 THR A 44 0.821 11.407 1.432 1.00 62.22 H new ATOM 715 N ARG A 45 5.482 10.436 1.636 1.00 24.01 N ATOM 716 CA ARG A 45 6.482 9.498 1.134 1.00 72.21 C ATOM 717 C ARG A 45 6.718 8.383 2.154 1.00 64.44 C ATOM 718 O ARG A 45 6.756 7.210 1.768 1.00 71.53 O ATOM 719 CB ARG A 45 7.804 10.216 0.788 1.00 64.22 C ATOM 720 CG ARG A 45 7.797 10.893 -0.593 1.00 11.44 C ATOM 721 CD ARG A 45 7.146 12.280 -0.578 1.00 54.04 C ATOM 722 NE ARG A 45 7.098 12.878 -1.918 1.00 4.24 N ATOM 723 CZ ARG A 45 8.009 13.639 -2.530 1.00 42.41 C ATOM 724 NH1 ARG A 45 9.173 13.909 -1.945 1.00 25.00 N1+ ATOM 725 NH2 ARG A 45 7.747 14.105 -3.746 1.00 0.40 N ATOM 0 H ARG A 45 5.820 11.396 1.704 1.00 24.01 H new ATOM 0 HA ARG A 45 6.101 9.055 0.214 1.00 72.21 H new ATOM 0 HB2 ARG A 45 8.009 10.968 1.550 1.00 64.22 H new ATOM 0 HB3 ARG A 45 8.620 9.494 0.825 1.00 64.22 H new ATOM 0 HG2 ARG A 45 8.822 10.983 -0.952 1.00 11.44 H new ATOM 0 HG3 ARG A 45 7.266 10.256 -1.301 1.00 11.44 H new ATOM 0 HD2 ARG A 45 6.135 12.202 -0.179 1.00 54.04 H new ATOM 0 HD3 ARG A 45 7.703 12.935 0.092 1.00 54.04 H new ATOM 0 HE ARG A 45 6.253 12.686 -2.455 1.00 4.24 H new ATOM 0 HH11 ARG A 45 9.378 13.533 -1.019 1.00 25.00 H new ATOM 0 HH12 ARG A 45 9.861 14.491 -2.423 1.00 25.00 H new ATOM 0 HH21 ARG A 45 6.861 13.880 -4.198 1.00 0.40 H new ATOM 0 HH22 ARG A 45 8.432 14.688 -4.227 1.00 0.40 H new ATOM 739 N GLN A 46 6.876 8.748 3.426 1.00 54.25 N ATOM 740 CA GLN A 46 7.059 7.806 4.521 1.00 14.35 C ATOM 741 C GLN A 46 5.825 6.904 4.651 1.00 34.32 C ATOM 742 O GLN A 46 5.982 5.689 4.715 1.00 63.33 O ATOM 743 CB GLN A 46 7.373 8.555 5.825 1.00 1.03 C ATOM 744 CG GLN A 46 8.709 9.325 5.783 1.00 71.03 C ATOM 745 CD GLN A 46 9.964 8.476 5.995 1.00 64.21 C ATOM 746 OE1 GLN A 46 9.961 7.250 5.898 1.00 2.51 O ATOM 747 NE2 GLN A 46 11.077 9.126 6.284 1.00 72.22 N ATOM 0 H GLN A 46 6.880 9.723 3.725 1.00 54.25 H new ATOM 0 HA GLN A 46 7.913 7.163 4.307 1.00 14.35 H new ATOM 0 HB2 GLN A 46 6.565 9.255 6.037 1.00 1.03 H new ATOM 0 HB3 GLN A 46 7.399 7.841 6.648 1.00 1.03 H new ATOM 0 HG2 GLN A 46 8.789 9.827 4.819 1.00 71.03 H new ATOM 0 HG3 GLN A 46 8.684 10.103 6.546 1.00 71.03 H new ATOM 0 HE21 GLN A 46 11.068 10.143 6.362 1.00 72.22 H new ATOM 0 HE22 GLN A 46 11.945 8.611 6.429 1.00 72.22 H new ATOM 756 N CYS A 47 4.602 7.451 4.621 1.00 43.24 N ATOM 757 CA CYS A 47 3.365 6.695 4.618 1.00 44.42 C ATOM 758 C CYS A 47 3.344 5.692 3.462 1.00 2.22 C ATOM 759 O CYS A 47 3.089 4.515 3.701 1.00 63.24 O ATOM 760 CB CYS A 47 2.179 7.663 4.514 1.00 3.33 C ATOM 761 SG CYS A 47 1.905 8.615 6.034 1.00 22.35 S ATOM 0 H CYS A 47 4.454 8.460 4.598 1.00 43.24 H new ATOM 0 HA CYS A 47 3.290 6.132 5.548 1.00 44.42 H new ATOM 0 HB2 CYS A 47 2.351 8.352 3.687 1.00 3.33 H new ATOM 0 HB3 CYS A 47 1.277 7.099 4.277 1.00 3.33 H new ATOM 0 HG CYS A 47 2.778 9.575 6.108 1.00 22.35 H new ATOM 767 N LEU A 48 3.617 6.148 2.235 1.00 4.13 N ATOM 768 CA LEU A 48 3.654 5.344 1.016 1.00 3.12 C ATOM 769 C LEU A 48 4.516 4.111 1.241 1.00 50.02 C ATOM 770 O LEU A 48 4.027 2.993 1.054 1.00 33.14 O ATOM 771 CB LEU A 48 4.153 6.207 -0.163 1.00 72.14 C ATOM 772 CG LEU A 48 4.443 5.469 -1.486 1.00 60.44 C ATOM 773 CD1 LEU A 48 3.297 4.582 -1.977 1.00 73.51 C ATOM 774 CD2 LEU A 48 4.740 6.506 -2.577 1.00 44.04 C ATOM 0 H LEU A 48 3.827 7.131 2.060 1.00 4.13 H new ATOM 0 HA LEU A 48 2.652 4.998 0.762 1.00 3.12 H new ATOM 0 HB2 LEU A 48 3.408 6.978 -0.360 1.00 72.14 H new ATOM 0 HB3 LEU A 48 5.065 6.716 0.150 1.00 72.14 H new ATOM 0 HG LEU A 48 5.291 4.814 -1.287 1.00 60.44 H new ATOM 0 HD11 LEU A 48 3.584 4.101 -2.912 1.00 73.51 H new ATOM 0 HD12 LEU A 48 3.080 3.820 -1.228 1.00 73.51 H new ATOM 0 HD13 LEU A 48 2.409 5.192 -2.141 1.00 73.51 H new ATOM 0 HD21 LEU A 48 4.947 5.996 -3.518 1.00 44.04 H new ATOM 0 HD22 LEU A 48 3.877 7.161 -2.701 1.00 44.04 H new ATOM 0 HD23 LEU A 48 5.607 7.100 -2.288 1.00 44.04 H new ATOM 786 N ILE A 49 5.782 4.300 1.633 1.00 4.15 N ATOM 787 CA ILE A 49 6.657 3.164 1.854 1.00 22.35 C ATOM 788 C ILE A 49 6.198 2.299 3.024 1.00 73.31 C ATOM 789 O ILE A 49 6.168 1.088 2.852 1.00 54.42 O ATOM 790 CB ILE A 49 8.150 3.542 1.901 1.00 2.24 C ATOM 791 CG1 ILE A 49 8.519 4.480 3.066 1.00 3.42 C ATOM 792 CG2 ILE A 49 8.525 4.137 0.529 1.00 45.11 C ATOM 793 CD1 ILE A 49 10.023 4.739 3.195 1.00 33.54 C ATOM 0 H ILE A 49 6.208 5.212 1.798 1.00 4.15 H new ATOM 0 HA ILE A 49 6.568 2.532 0.970 1.00 22.35 H new ATOM 0 HB ILE A 49 8.733 2.643 2.098 1.00 2.24 H new ATOM 0 HG12 ILE A 49 8.006 5.432 2.931 1.00 3.42 H new ATOM 0 HG13 ILE A 49 8.152 4.049 3.998 1.00 3.42 H new ATOM 0 HG21 ILE A 49 9.579 4.416 0.529 1.00 45.11 H new ATOM 0 HG22 ILE A 49 8.346 3.396 -0.250 1.00 45.11 H new ATOM 0 HG23 ILE A 49 7.916 5.020 0.337 1.00 45.11 H new ATOM 0 HD11 ILE A 49 10.206 5.408 4.036 1.00 33.54 H new ATOM 0 HD12 ILE A 49 10.542 3.795 3.362 1.00 33.54 H new ATOM 0 HD13 ILE A 49 10.393 5.199 2.279 1.00 33.54 H new ATOM 805 N LYS A 50 5.772 2.848 4.168 1.00 54.03 N ATOM 806 CA LYS A 50 5.372 2.046 5.303 1.00 10.45 C ATOM 807 C LYS A 50 4.168 1.172 4.957 1.00 65.14 C ATOM 808 O LYS A 50 4.131 0.017 5.387 1.00 21.01 O ATOM 809 CB LYS A 50 5.101 2.982 6.491 1.00 64.21 C ATOM 810 CG LYS A 50 6.174 2.938 7.599 1.00 11.34 C ATOM 811 CD LYS A 50 7.206 4.072 7.482 1.00 30.02 C ATOM 812 CE LYS A 50 8.392 3.860 8.437 1.00 53.21 C ATOM 813 NZ LYS A 50 8.122 4.235 9.846 1.00 51.25 N1+ ATOM 0 H LYS A 50 5.699 3.854 4.321 1.00 54.03 H new ATOM 0 HA LYS A 50 6.171 1.359 5.580 1.00 10.45 H new ATOM 0 HB2 LYS A 50 5.021 4.004 6.121 1.00 64.21 H new ATOM 0 HB3 LYS A 50 4.136 2.724 6.927 1.00 64.21 H new ATOM 0 HG2 LYS A 50 5.686 2.997 8.572 1.00 11.34 H new ATOM 0 HG3 LYS A 50 6.690 1.979 7.559 1.00 11.34 H new ATOM 0 HD2 LYS A 50 7.570 4.129 6.456 1.00 30.02 H new ATOM 0 HD3 LYS A 50 6.726 5.025 7.703 1.00 30.02 H new ATOM 0 HE2 LYS A 50 8.686 2.811 8.404 1.00 53.21 H new ATOM 0 HE3 LYS A 50 9.241 4.441 8.076 1.00 53.21 H new ATOM 0 HZ1 LYS A 50 8.971 4.061 10.420 1.00 51.25 H new ATOM 0 HZ2 LYS A 50 7.871 5.243 9.895 1.00 51.25 H new ATOM 0 HZ3 LYS A 50 7.334 3.664 10.212 1.00 51.25 H new ATOM 827 N ILE A 51 3.181 1.702 4.227 1.00 24.51 N ATOM 828 CA ILE A 51 2.029 0.936 3.770 1.00 1.44 C ATOM 829 C ILE A 51 2.545 -0.189 2.881 1.00 1.23 C ATOM 830 O ILE A 51 2.245 -1.354 3.148 1.00 42.41 O ATOM 831 CB ILE A 51 0.991 1.827 3.044 1.00 34.42 C ATOM 832 CG1 ILE A 51 0.364 2.846 4.019 1.00 72.01 C ATOM 833 CG2 ILE A 51 -0.127 0.964 2.426 1.00 64.43 C ATOM 834 CD1 ILE A 51 -0.307 4.018 3.285 1.00 62.13 C ATOM 0 H ILE A 51 3.164 2.680 3.938 1.00 24.51 H new ATOM 0 HA ILE A 51 1.498 0.516 4.624 1.00 1.44 H new ATOM 0 HB ILE A 51 1.513 2.364 2.252 1.00 34.42 H new ATOM 0 HG12 ILE A 51 -0.373 2.342 4.644 1.00 72.01 H new ATOM 0 HG13 ILE A 51 1.136 3.231 4.685 1.00 72.01 H new ATOM 0 HG21 ILE A 51 -0.846 1.608 1.920 1.00 64.43 H new ATOM 0 HG22 ILE A 51 0.306 0.269 1.707 1.00 64.43 H new ATOM 0 HG23 ILE A 51 -0.632 0.404 3.213 1.00 64.43 H new ATOM 0 HD11 ILE A 51 -0.733 4.708 4.014 1.00 62.13 H new ATOM 0 HD12 ILE A 51 0.434 4.541 2.681 1.00 62.13 H new ATOM 0 HD13 ILE A 51 -1.099 3.638 2.639 1.00 62.13 H new ATOM 846 N GLY A 52 3.310 0.152 1.842 1.00 60.25 N ATOM 847 CA GLY A 52 3.728 -0.812 0.847 1.00 12.12 C ATOM 848 C GLY A 52 4.612 -1.891 1.457 1.00 41.42 C ATOM 849 O GLY A 52 4.530 -3.038 1.022 1.00 1.12 O ATOM 0 H GLY A 52 3.650 1.099 1.676 1.00 60.25 H new ATOM 0 HA2 GLY A 52 2.851 -1.272 0.393 1.00 12.12 H new ATOM 0 HA3 GLY A 52 4.270 -0.303 0.050 1.00 12.12 H new ATOM 853 N ASP A 53 5.421 -1.563 2.465 1.00 15.43 N ATOM 854 CA ASP A 53 6.217 -2.518 3.223 1.00 23.03 C ATOM 855 C ASP A 53 5.279 -3.469 3.942 1.00 4.51 C ATOM 856 O ASP A 53 5.379 -4.665 3.702 1.00 64.45 O ATOM 857 CB ASP A 53 7.149 -1.849 4.243 1.00 51.04 C ATOM 858 CG ASP A 53 8.624 -1.983 3.874 1.00 41.21 C ATOM 859 OD1 ASP A 53 9.161 -3.114 3.911 1.00 74.02 O1- ATOM 860 OD2 ASP A 53 9.300 -0.939 3.738 1.00 2.34 O ATOM 0 H ASP A 53 5.541 -0.601 2.782 1.00 15.43 H new ATOM 0 HA ASP A 53 6.855 -3.049 2.517 1.00 23.03 H new ATOM 0 HB2 ASP A 53 6.894 -0.792 4.323 1.00 51.04 H new ATOM 0 HB3 ASP A 53 6.983 -2.292 5.225 1.00 51.04 H new ATOM 865 N HIS A 54 4.345 -2.977 4.770 1.00 4.14 N ATOM 866 CA HIS A 54 3.455 -3.875 5.507 1.00 61.14 C ATOM 867 C HIS A 54 2.620 -4.746 4.560 1.00 71.00 C ATOM 868 O HIS A 54 2.276 -5.867 4.931 1.00 13.33 O ATOM 869 CB HIS A 54 2.549 -3.105 6.480 1.00 31.12 C ATOM 870 CG HIS A 54 3.275 -2.574 7.692 1.00 71.42 C ATOM 871 ND1 HIS A 54 3.916 -1.363 7.773 1.00 41.41 N ATOM 872 CD2 HIS A 54 3.429 -3.204 8.898 1.00 41.53 C ATOM 873 CE1 HIS A 54 4.432 -1.241 9.004 1.00 33.05 C ATOM 874 NE2 HIS A 54 4.196 -2.359 9.714 1.00 52.53 N ATOM 0 H HIS A 54 4.191 -1.983 4.941 1.00 4.14 H new ATOM 0 HA HIS A 54 4.091 -4.536 6.096 1.00 61.14 H new ATOM 0 HB2 HIS A 54 2.087 -2.272 5.950 1.00 31.12 H new ATOM 0 HB3 HIS A 54 1.743 -3.761 6.809 1.00 31.12 H new ATOM 0 HD1 HIS A 54 3.987 -0.674 7.024 1.00 41.41 H new ATOM 0 HD2 HIS A 54 3.034 -4.171 9.170 1.00 41.53 H new ATOM 0 HE1 HIS A 54 4.959 -0.373 9.372 1.00 33.05 H new ATOM 882 N ILE A 55 2.309 -4.274 3.348 1.00 14.30 N ATOM 883 CA ILE A 55 1.727 -5.095 2.292 1.00 11.25 C ATOM 884 C ILE A 55 2.734 -6.185 1.899 1.00 40.53 C ATOM 885 O ILE A 55 2.392 -7.361 1.950 1.00 21.05 O ATOM 886 CB ILE A 55 1.253 -4.218 1.112 1.00 51.10 C ATOM 887 CG1 ILE A 55 0.053 -3.336 1.517 1.00 44.42 C ATOM 888 CG2 ILE A 55 0.871 -5.028 -0.142 1.00 13.04 C ATOM 889 CD1 ILE A 55 -0.358 -2.346 0.422 1.00 63.25 C ATOM 0 H ILE A 55 2.457 -3.303 3.075 1.00 14.30 H new ATOM 0 HA ILE A 55 0.829 -5.600 2.647 1.00 11.25 H new ATOM 0 HB ILE A 55 2.111 -3.595 0.858 1.00 51.10 H new ATOM 0 HG12 ILE A 55 -0.796 -3.976 1.758 1.00 44.42 H new ATOM 0 HG13 ILE A 55 0.304 -2.784 2.423 1.00 44.42 H new ATOM 0 HG21 ILE A 55 0.548 -4.348 -0.930 1.00 13.04 H new ATOM 0 HG22 ILE A 55 1.735 -5.596 -0.485 1.00 13.04 H new ATOM 0 HG23 ILE A 55 0.059 -5.714 0.101 1.00 13.04 H new ATOM 0 HD11 ILE A 55 -1.206 -1.755 0.766 1.00 63.25 H new ATOM 0 HD12 ILE A 55 0.478 -1.684 0.197 1.00 63.25 H new ATOM 0 HD13 ILE A 55 -0.639 -2.894 -0.477 1.00 63.25 H new ATOM 901 N THR A 56 3.954 -5.816 1.506 1.00 5.22 N ATOM 902 CA THR A 56 4.993 -6.726 1.027 1.00 13.14 C ATOM 903 C THR A 56 5.239 -7.855 2.037 1.00 44.41 C ATOM 904 O THR A 56 5.242 -9.029 1.652 1.00 3.10 O ATOM 905 CB THR A 56 6.276 -5.920 0.719 1.00 23.42 C ATOM 906 OG1 THR A 56 5.972 -4.844 -0.150 1.00 70.12 O ATOM 907 CG2 THR A 56 7.359 -6.745 0.030 1.00 44.22 C ATOM 0 H THR A 56 4.255 -4.842 1.513 1.00 5.22 H new ATOM 0 HA THR A 56 4.665 -7.205 0.104 1.00 13.14 H new ATOM 0 HB THR A 56 6.650 -5.583 1.686 1.00 23.42 H new ATOM 0 HG1 THR A 56 5.732 -4.054 0.379 1.00 70.12 H new ATOM 0 HG21 THR A 56 8.231 -6.118 -0.157 1.00 44.22 H new ATOM 0 HG22 THR A 56 7.643 -7.580 0.671 1.00 44.22 H new ATOM 0 HG23 THR A 56 6.978 -7.127 -0.917 1.00 44.22 H new ATOM 915 N GLU A 57 5.416 -7.489 3.309 1.00 33.02 N ATOM 916 CA GLU A 57 5.658 -8.367 4.446 1.00 24.11 C ATOM 917 C GLU A 57 4.476 -9.320 4.638 1.00 32.24 C ATOM 918 O GLU A 57 4.659 -10.529 4.756 1.00 3.40 O ATOM 919 CB GLU A 57 5.855 -7.505 5.704 1.00 61.11 C ATOM 920 CG GLU A 57 7.095 -6.592 5.668 1.00 73.54 C ATOM 921 CD GLU A 57 8.400 -7.370 5.757 1.00 61.31 C ATOM 922 OE1 GLU A 57 8.725 -7.863 6.857 1.00 10.24 O1- ATOM 923 OE2 GLU A 57 9.128 -7.464 4.735 1.00 1.40 O ATOM 0 H GLU A 57 5.392 -6.507 3.585 1.00 33.02 H new ATOM 0 HA GLU A 57 6.552 -8.964 4.266 1.00 24.11 H new ATOM 0 HB2 GLU A 57 4.969 -6.887 5.847 1.00 61.11 H new ATOM 0 HB3 GLU A 57 5.929 -8.162 6.571 1.00 61.11 H new ATOM 0 HG2 GLU A 57 7.086 -6.010 4.746 1.00 73.54 H new ATOM 0 HG3 GLU A 57 7.043 -5.882 6.494 1.00 73.54 H new ATOM 930 N CYS A 58 3.250 -8.790 4.638 1.00 11.34 N ATOM 931 CA CYS A 58 2.040 -9.591 4.769 1.00 0.31 C ATOM 932 C CYS A 58 1.910 -10.651 3.679 1.00 73.23 C ATOM 933 O CYS A 58 1.365 -11.722 3.916 1.00 13.34 O ATOM 934 CB CYS A 58 0.827 -8.674 4.682 1.00 31.54 C ATOM 935 SG CYS A 58 0.492 -7.939 6.312 1.00 43.24 S ATOM 0 H CYS A 58 3.073 -7.790 4.547 1.00 11.34 H new ATOM 0 HA CYS A 58 2.097 -10.101 5.730 1.00 0.31 H new ATOM 0 HB2 CYS A 58 1.006 -7.888 3.948 1.00 31.54 H new ATOM 0 HB3 CYS A 58 -0.042 -9.237 4.341 1.00 31.54 H new ATOM 0 HG CYS A 58 1.111 -6.800 6.410 1.00 43.24 H new ATOM 941 N LEU A 59 2.330 -10.322 2.464 1.00 64.12 N ATOM 942 CA LEU A 59 2.267 -11.224 1.321 1.00 53.20 C ATOM 943 C LEU A 59 3.411 -12.238 1.344 1.00 72.32 C ATOM 944 O LEU A 59 3.187 -13.364 0.912 1.00 72.00 O ATOM 945 CB LEU A 59 2.258 -10.429 0.008 1.00 14.43 C ATOM 946 CG LEU A 59 1.105 -9.421 -0.051 1.00 53.24 C ATOM 947 CD1 LEU A 59 1.463 -8.308 -1.021 1.00 71.42 C ATOM 948 CD2 LEU A 59 -0.180 -10.124 -0.458 1.00 3.53 C ATOM 0 H LEU A 59 2.729 -9.410 2.242 1.00 64.12 H new ATOM 0 HA LEU A 59 1.335 -11.786 1.388 1.00 53.20 H new ATOM 0 HB2 LEU A 59 3.205 -9.901 -0.102 1.00 14.43 H new ATOM 0 HB3 LEU A 59 2.178 -11.119 -0.832 1.00 14.43 H new ATOM 0 HG LEU A 59 0.943 -8.981 0.933 1.00 53.24 H new ATOM 0 HD11 LEU A 59 0.646 -7.588 -1.067 1.00 71.42 H new ATOM 0 HD12 LEU A 59 2.369 -7.807 -0.681 1.00 71.42 H new ATOM 0 HD13 LEU A 59 1.631 -8.729 -2.012 1.00 71.42 H new ATOM 0 HD21 LEU A 59 -0.994 -9.400 -0.497 1.00 3.53 H new ATOM 0 HD22 LEU A 59 -0.051 -10.578 -1.440 1.00 3.53 H new ATOM 0 HD23 LEU A 59 -0.418 -10.898 0.271 1.00 3.53 H new ATOM 960 N LYS A 60 4.599 -11.885 1.863 1.00 42.43 N ATOM 961 CA LYS A 60 5.708 -12.829 2.072 1.00 35.12 C ATOM 962 C LYS A 60 5.320 -13.964 3.025 1.00 40.54 C ATOM 963 O LYS A 60 5.981 -14.999 3.019 1.00 41.41 O ATOM 964 CB LYS A 60 6.959 -12.073 2.585 1.00 54.12 C ATOM 965 CG LYS A 60 7.752 -11.459 1.420 1.00 34.15 C ATOM 966 CD LYS A 60 8.347 -10.061 1.660 1.00 11.14 C ATOM 967 CE LYS A 60 9.701 -10.019 2.377 1.00 52.11 C ATOM 968 NZ LYS A 60 10.229 -8.632 2.458 1.00 72.35 N1+ ATOM 0 H LYS A 60 4.817 -10.931 2.151 1.00 42.43 H new ATOM 0 HA LYS A 60 5.944 -13.289 1.112 1.00 35.12 H new ATOM 0 HB2 LYS A 60 6.655 -11.287 3.276 1.00 54.12 H new ATOM 0 HB3 LYS A 60 7.598 -12.758 3.143 1.00 54.12 H new ATOM 0 HG2 LYS A 60 8.566 -12.138 1.165 1.00 34.15 H new ATOM 0 HG3 LYS A 60 7.097 -11.407 0.551 1.00 34.15 H new ATOM 0 HD2 LYS A 60 8.454 -9.563 0.696 1.00 11.14 H new ATOM 0 HD3 LYS A 60 7.632 -9.479 2.242 1.00 11.14 H new ATOM 0 HE2 LYS A 60 9.595 -10.429 3.381 1.00 52.11 H new ATOM 0 HE3 LYS A 60 10.414 -10.651 1.848 1.00 52.11 H new ATOM 0 HZ1 LYS A 60 11.249 -8.660 2.660 1.00 72.35 H new ATOM 0 HZ2 LYS A 60 10.069 -8.146 1.553 1.00 72.35 H new ATOM 0 HZ3 LYS A 60 9.739 -8.118 3.218 1.00 72.35 H new ATOM 982 N GLU A 61 4.248 -13.796 3.800 1.00 54.21 N ATOM 983 CA GLU A 61 3.691 -14.797 4.688 1.00 54.40 C ATOM 984 C GLU A 61 3.272 -16.041 3.907 1.00 62.01 C ATOM 985 O GLU A 61 3.545 -17.169 4.330 1.00 3.42 O ATOM 986 CB GLU A 61 2.486 -14.154 5.395 1.00 64.41 C ATOM 987 CG GLU A 61 2.048 -14.836 6.691 1.00 21.14 C ATOM 988 CD GLU A 61 0.756 -15.646 6.532 1.00 34.24 C ATOM 989 OE1 GLU A 61 -0.342 -15.048 6.652 1.00 63.12 O1- ATOM 990 OE2 GLU A 61 0.820 -16.874 6.269 1.00 3.14 O ATOM 0 H GLU A 61 3.728 -12.919 3.821 1.00 54.21 H new ATOM 0 HA GLU A 61 4.432 -15.121 5.419 1.00 54.40 H new ATOM 0 HB2 GLU A 61 2.727 -13.114 5.615 1.00 64.41 H new ATOM 0 HB3 GLU A 61 1.642 -14.146 4.705 1.00 64.41 H new ATOM 0 HG2 GLU A 61 2.844 -15.496 7.036 1.00 21.14 H new ATOM 0 HG3 GLU A 61 1.904 -14.080 7.463 1.00 21.14 H new ATOM 997 N TYR A 62 2.581 -15.851 2.780 1.00 60.23 N ATOM 998 CA TYR A 62 2.006 -16.961 2.036 1.00 13.04 C ATOM 999 C TYR A 62 3.070 -17.684 1.201 1.00 13.02 C ATOM 1000 O TYR A 62 4.146 -17.151 0.930 1.00 51.53 O ATOM 1001 CB TYR A 62 0.860 -16.466 1.154 1.00 44.44 C ATOM 1002 CG TYR A 62 -0.145 -15.561 1.841 1.00 71.50 C ATOM 1003 CD1 TYR A 62 -0.928 -16.077 2.889 1.00 33.43 C ATOM 1004 CD2 TYR A 62 -0.297 -14.217 1.444 1.00 21.24 C ATOM 1005 CE1 TYR A 62 -1.929 -15.295 3.481 1.00 41.42 C ATOM 1006 CE2 TYR A 62 -1.265 -13.410 2.074 1.00 62.34 C ATOM 1007 CZ TYR A 62 -2.107 -13.954 3.072 1.00 11.34 C ATOM 1008 OH TYR A 62 -3.073 -13.175 3.639 1.00 10.34 O ATOM 0 H TYR A 62 2.409 -14.934 2.367 1.00 60.23 H new ATOM 0 HA TYR A 62 1.609 -17.682 2.751 1.00 13.04 H new ATOM 0 HB2 TYR A 62 1.283 -15.931 0.304 1.00 44.44 H new ATOM 0 HB3 TYR A 62 0.331 -17.332 0.755 1.00 44.44 H new ATOM 0 HD1 TYR A 62 -0.757 -17.084 3.240 1.00 33.43 H new ATOM 0 HD2 TYR A 62 0.325 -13.808 0.661 1.00 21.24 H new ATOM 0 HE1 TYR A 62 -2.563 -15.716 4.248 1.00 41.42 H new ATOM 0 HE2 TYR A 62 -1.365 -12.372 1.794 1.00 62.34 H new ATOM 0 HH TYR A 62 -3.867 -13.168 3.064 1.00 10.34 H new ATOM 1018 N THR A 63 2.740 -18.884 0.713 1.00 43.11 N ATOM 1019 CA THR A 63 3.639 -19.669 -0.132 1.00 35.33 C ATOM 1020 C THR A 63 2.994 -20.061 -1.467 1.00 12.01 C ATOM 1021 O THR A 63 3.699 -20.173 -2.473 1.00 41.13 O ATOM 1022 CB THR A 63 4.140 -20.899 0.645 1.00 2.33 C ATOM 1023 OG1 THR A 63 3.062 -21.704 1.077 1.00 32.45 O ATOM 1024 CG2 THR A 63 4.984 -20.538 1.870 1.00 31.03 C ATOM 0 H THR A 63 1.844 -19.336 0.893 1.00 43.11 H new ATOM 0 HA THR A 63 4.495 -19.044 -0.388 1.00 35.33 H new ATOM 0 HB THR A 63 4.769 -21.444 -0.059 1.00 2.33 H new ATOM 0 HG1 THR A 63 3.408 -22.479 1.566 1.00 32.45 H new ATOM 0 HG21 THR A 63 5.305 -21.450 2.372 1.00 31.03 H new ATOM 0 HG22 THR A 63 5.859 -19.970 1.554 1.00 31.03 H new ATOM 0 HG23 THR A 63 4.389 -19.936 2.557 1.00 31.03 H new ATOM 1032 N ASN A 64 1.673 -20.265 -1.511 1.00 22.12 N ATOM 1033 CA ASN A 64 0.979 -20.630 -2.743 1.00 20.34 C ATOM 1034 C ASN A 64 0.969 -19.428 -3.684 1.00 62.22 C ATOM 1035 O ASN A 64 0.761 -18.304 -3.211 1.00 24.00 O ATOM 1036 CB ASN A 64 -0.480 -21.025 -2.481 1.00 73.21 C ATOM 1037 CG ASN A 64 -0.662 -22.337 -1.741 1.00 21.22 C ATOM 1038 OD1 ASN A 64 -0.436 -22.431 -0.535 1.00 61.02 O ATOM 1039 ND2 ASN A 64 -1.069 -23.378 -2.442 1.00 53.22 N ATOM 0 H ASN A 64 1.062 -20.182 -0.698 1.00 22.12 H new ATOM 0 HA ASN A 64 1.505 -21.480 -3.177 1.00 20.34 H new ATOM 0 HB2 ASN A 64 -0.959 -20.231 -1.908 1.00 73.21 H new ATOM 0 HB3 ASN A 64 -1.002 -21.088 -3.436 1.00 73.21 H new ATOM 0 HD21 ASN A 64 -1.201 -24.280 -1.985 1.00 53.22 H new ATOM 0 HD22 ASN A 64 -1.251 -23.281 -3.441 1.00 53.22 H new ATOM 1046 N PRO A 65 1.061 -19.648 -5.007 1.00 2.25 N ATOM 1047 CA PRO A 65 0.992 -18.570 -5.978 1.00 15.53 C ATOM 1048 C PRO A 65 -0.380 -17.905 -5.948 1.00 14.03 C ATOM 1049 O PRO A 65 -0.472 -16.688 -6.064 1.00 64.50 O ATOM 1050 CB PRO A 65 1.285 -19.216 -7.326 1.00 31.12 C ATOM 1051 CG PRO A 65 0.806 -20.647 -7.146 1.00 31.01 C ATOM 1052 CD PRO A 65 1.188 -20.927 -5.695 1.00 54.11 C ATOM 0 HA PRO A 65 1.709 -17.777 -5.764 1.00 15.53 H new ATOM 0 HB2 PRO A 65 0.755 -18.714 -8.135 1.00 31.12 H new ATOM 0 HB3 PRO A 65 2.347 -19.176 -7.568 1.00 31.12 H new ATOM 0 HG2 PRO A 65 -0.267 -20.742 -7.311 1.00 31.01 H new ATOM 0 HG3 PRO A 65 1.297 -21.332 -7.837 1.00 31.01 H new ATOM 0 HD2 PRO A 65 0.532 -21.677 -5.254 1.00 54.11 H new ATOM 0 HD3 PRO A 65 2.205 -21.312 -5.624 1.00 54.11 H new ATOM 1060 N GLU A 66 -1.448 -18.682 -5.759 1.00 13.54 N ATOM 1061 CA GLU A 66 -2.792 -18.139 -5.787 1.00 32.01 C ATOM 1062 C GLU A 66 -3.045 -17.209 -4.603 1.00 34.31 C ATOM 1063 O GLU A 66 -3.751 -16.211 -4.766 1.00 2.21 O ATOM 1064 CB GLU A 66 -3.831 -19.271 -5.857 1.00 33.45 C ATOM 1065 CG GLU A 66 -3.793 -20.017 -7.201 1.00 24.12 C ATOM 1066 CD GLU A 66 -3.801 -19.066 -8.401 1.00 62.35 C ATOM 1067 OE1 GLU A 66 -4.610 -18.103 -8.411 1.00 0.13 O ATOM 1068 OE2 GLU A 66 -2.942 -19.243 -9.293 1.00 45.54 O1- ATOM 0 H GLU A 66 -1.401 -19.686 -5.586 1.00 13.54 H new ATOM 0 HA GLU A 66 -2.895 -17.536 -6.689 1.00 32.01 H new ATOM 0 HB2 GLU A 66 -3.650 -19.977 -5.047 1.00 33.45 H new ATOM 0 HB3 GLU A 66 -4.827 -18.857 -5.702 1.00 33.45 H new ATOM 0 HG2 GLU A 66 -2.900 -20.640 -7.242 1.00 24.12 H new ATOM 0 HG3 GLU A 66 -4.651 -20.686 -7.266 1.00 24.12 H new ATOM 1075 N GLN A 67 -2.450 -17.487 -3.439 1.00 33.41 N ATOM 1076 CA GLN A 67 -2.479 -16.597 -2.304 1.00 44.41 C ATOM 1077 C GLN A 67 -1.632 -15.371 -2.597 1.00 71.14 C ATOM 1078 O GLN A 67 -2.196 -14.283 -2.620 1.00 63.51 O ATOM 1079 CB GLN A 67 -1.968 -17.323 -1.065 1.00 53.35 C ATOM 1080 CG GLN A 67 -3.100 -17.878 -0.194 1.00 13.40 C ATOM 1081 CD GLN A 67 -2.531 -18.935 0.738 1.00 75.21 C ATOM 1082 OE1 GLN A 67 -2.119 -19.993 0.292 1.00 50.45 O ATOM 1083 NE2 GLN A 67 -2.375 -18.669 2.016 1.00 3.24 N ATOM 0 H GLN A 67 -1.932 -18.349 -3.270 1.00 33.41 H new ATOM 0 HA GLN A 67 -3.504 -16.276 -2.117 1.00 44.41 H new ATOM 0 HB2 GLN A 67 -1.317 -18.141 -1.372 1.00 53.35 H new ATOM 0 HB3 GLN A 67 -1.362 -16.638 -0.472 1.00 53.35 H new ATOM 0 HG2 GLN A 67 -3.560 -17.075 0.382 1.00 13.40 H new ATOM 0 HG3 GLN A 67 -3.881 -18.309 -0.820 1.00 13.40 H new ATOM 0 HE21 GLN A 67 -2.716 -17.787 2.399 1.00 3.24 H new ATOM 0 HE22 GLN A 67 -1.913 -19.344 2.625 1.00 3.24 H new ATOM 1092 N ILE A 68 -0.312 -15.509 -2.794 1.00 1.22 N ATOM 1093 CA ILE A 68 0.557 -14.342 -2.954 1.00 12.50 C ATOM 1094 C ILE A 68 0.023 -13.437 -4.074 1.00 71.12 C ATOM 1095 O ILE A 68 -0.056 -12.232 -3.864 1.00 55.41 O ATOM 1096 CB ILE A 68 2.054 -14.704 -3.110 1.00 33.42 C ATOM 1097 CG1 ILE A 68 2.367 -15.600 -4.313 1.00 13.11 C ATOM 1098 CG2 ILE A 68 2.616 -15.385 -1.862 1.00 13.44 C ATOM 1099 CD1 ILE A 68 2.915 -14.789 -5.482 1.00 33.44 C ATOM 0 H ILE A 68 0.169 -16.407 -2.845 1.00 1.22 H new ATOM 0 HA ILE A 68 0.524 -13.773 -2.025 1.00 12.50 H new ATOM 0 HB ILE A 68 2.533 -13.738 -3.270 1.00 33.42 H new ATOM 0 HG12 ILE A 68 3.093 -16.360 -4.024 1.00 13.11 H new ATOM 0 HG13 ILE A 68 1.463 -16.124 -4.624 1.00 13.11 H new ATOM 0 HG21 ILE A 68 3.669 -15.620 -2.019 1.00 13.44 H new ATOM 0 HG22 ILE A 68 2.517 -14.716 -1.007 1.00 13.44 H new ATOM 0 HG23 ILE A 68 2.064 -16.305 -1.669 1.00 13.44 H new ATOM 0 HD11 ILE A 68 3.127 -15.454 -6.319 1.00 33.44 H new ATOM 0 HD12 ILE A 68 2.178 -14.046 -5.787 1.00 33.44 H new ATOM 0 HD13 ILE A 68 3.833 -14.286 -5.177 1.00 33.44 H new ATOM 1111 N LYS A 69 -0.410 -13.971 -5.225 1.00 64.12 N ATOM 1112 CA LYS A 69 -0.905 -13.161 -6.337 1.00 12.30 C ATOM 1113 C LYS A 69 -2.286 -12.569 -6.058 1.00 53.31 C ATOM 1114 O LYS A 69 -2.481 -11.386 -6.359 1.00 62.25 O ATOM 1115 CB LYS A 69 -0.882 -13.976 -7.638 1.00 34.45 C ATOM 1116 CG LYS A 69 -1.261 -13.146 -8.875 1.00 41.45 C ATOM 1117 CD LYS A 69 -1.052 -13.958 -10.159 1.00 30.22 C ATOM 1118 CE LYS A 69 -1.557 -13.182 -11.383 1.00 41.34 C ATOM 1119 NZ LYS A 69 -1.345 -13.948 -12.625 1.00 65.32 N1+ ATOM 0 H LYS A 69 -0.425 -14.975 -5.407 1.00 64.12 H new ATOM 0 HA LYS A 69 -0.234 -12.310 -6.454 1.00 12.30 H new ATOM 0 HB2 LYS A 69 0.114 -14.395 -7.780 1.00 34.45 H new ATOM 0 HB3 LYS A 69 -1.571 -14.816 -7.546 1.00 34.45 H new ATOM 0 HG2 LYS A 69 -2.302 -12.832 -8.803 1.00 41.45 H new ATOM 0 HG3 LYS A 69 -0.657 -12.240 -8.910 1.00 41.45 H new ATOM 0 HD2 LYS A 69 0.006 -14.189 -10.280 1.00 30.22 H new ATOM 0 HD3 LYS A 69 -1.579 -14.909 -10.083 1.00 30.22 H new ATOM 0 HE2 LYS A 69 -2.618 -12.962 -11.265 1.00 41.34 H new ATOM 0 HE3 LYS A 69 -1.039 -12.225 -11.450 1.00 41.34 H new ATOM 0 HZ1 LYS A 69 -1.696 -13.399 -13.436 1.00 65.32 H new ATOM 0 HZ2 LYS A 69 -0.330 -14.136 -12.748 1.00 65.32 H new ATOM 0 HZ3 LYS A 69 -1.860 -14.850 -12.569 1.00 65.32 H new ATOM 1133 N GLN A 70 -3.247 -13.332 -5.522 1.00 15.42 N ATOM 1134 CA GLN A 70 -4.566 -12.745 -5.293 1.00 72.22 C ATOM 1135 C GLN A 70 -4.476 -11.724 -4.174 1.00 73.44 C ATOM 1136 O GLN A 70 -4.974 -10.615 -4.325 1.00 2.02 O ATOM 1137 CB GLN A 70 -5.623 -13.789 -4.928 1.00 55.12 C ATOM 1138 CG GLN A 70 -7.055 -13.246 -5.037 1.00 63.14 C ATOM 1139 CD GLN A 70 -7.401 -12.769 -6.450 1.00 25.15 C ATOM 1140 OE1 GLN A 70 -7.383 -13.556 -7.397 1.00 54.22 O ATOM 1141 NE2 GLN A 70 -7.683 -11.489 -6.627 1.00 61.54 N ATOM 0 H GLN A 70 -3.143 -14.310 -5.251 1.00 15.42 H new ATOM 0 HA GLN A 70 -4.875 -12.276 -6.227 1.00 72.22 H new ATOM 0 HB2 GLN A 70 -5.516 -14.653 -5.584 1.00 55.12 H new ATOM 0 HB3 GLN A 70 -5.447 -14.137 -3.910 1.00 55.12 H new ATOM 0 HG2 GLN A 70 -7.758 -14.024 -4.739 1.00 63.14 H new ATOM 0 HG3 GLN A 70 -7.180 -12.419 -4.338 1.00 63.14 H new ATOM 0 HE21 GLN A 70 -7.693 -10.854 -5.829 1.00 61.54 H new ATOM 0 HE22 GLN A 70 -7.891 -11.137 -7.562 1.00 61.54 H new ATOM 1150 N TRP A 71 -3.840 -12.071 -3.050 1.00 63.41 N ATOM 1151 CA TRP A 71 -3.661 -11.149 -1.951 1.00 1.41 C ATOM 1152 C TRP A 71 -2.861 -9.933 -2.402 1.00 43.13 C ATOM 1153 O TRP A 71 -3.182 -8.835 -1.962 1.00 3.23 O ATOM 1154 CB TRP A 71 -3.032 -11.840 -0.739 1.00 34.40 C ATOM 1155 CG TRP A 71 -3.959 -12.716 0.042 1.00 43.52 C ATOM 1156 CD1 TRP A 71 -3.824 -14.038 0.290 1.00 51.30 C ATOM 1157 CD2 TRP A 71 -5.172 -12.301 0.729 1.00 15.24 C ATOM 1158 NE1 TRP A 71 -4.859 -14.459 1.106 1.00 63.04 N ATOM 1159 CE2 TRP A 71 -5.745 -13.437 1.364 1.00 61.24 C ATOM 1160 CE3 TRP A 71 -5.875 -11.084 0.840 1.00 64.35 C ATOM 1161 CZ2 TRP A 71 -6.972 -13.367 2.035 1.00 11.21 C ATOM 1162 CZ3 TRP A 71 -7.094 -11.007 1.532 1.00 70.25 C ATOM 1163 CH2 TRP A 71 -7.649 -12.147 2.126 1.00 10.30 C ATOM 0 H TRP A 71 -3.441 -12.996 -2.888 1.00 63.41 H new ATOM 0 HA TRP A 71 -4.642 -10.797 -1.632 1.00 1.41 H new ATOM 0 HB2 TRP A 71 -2.189 -12.441 -1.080 1.00 34.40 H new ATOM 0 HB3 TRP A 71 -2.630 -11.077 -0.073 1.00 34.40 H new ATOM 0 HD1 TRP A 71 -3.032 -14.667 -0.089 1.00 51.30 H new ATOM 0 HE1 TRP A 71 -4.954 -15.407 1.471 1.00 63.04 H new ATOM 0 HE3 TRP A 71 -5.468 -10.194 0.384 1.00 64.35 H new ATOM 0 HZ2 TRP A 71 -7.395 -14.255 2.482 1.00 11.21 H new ATOM 0 HZ3 TRP A 71 -7.608 -10.060 1.607 1.00 70.25 H new ATOM 0 HH2 TRP A 71 -8.591 -12.085 2.650 1.00 10.30 H new ATOM 1174 N ARG A 72 -1.876 -10.080 -3.304 1.00 1.43 N ATOM 1175 CA ARG A 72 -1.110 -8.935 -3.822 1.00 44.24 C ATOM 1176 C ARG A 72 -2.067 -7.865 -4.334 1.00 25.40 C ATOM 1177 O ARG A 72 -1.973 -6.695 -3.956 1.00 72.43 O ATOM 1178 CB ARG A 72 -0.143 -9.330 -4.958 1.00 20.22 C ATOM 1179 CG ARG A 72 1.287 -9.492 -4.446 1.00 24.51 C ATOM 1180 CD ARG A 72 2.246 -10.020 -5.506 1.00 4.10 C ATOM 1181 NE ARG A 72 3.605 -10.013 -4.950 1.00 14.41 N ATOM 1182 CZ ARG A 72 4.532 -10.959 -5.101 1.00 35.32 C ATOM 1183 NH1 ARG A 72 4.434 -11.847 -6.085 1.00 54.04 N1+ ATOM 1184 NH2 ARG A 72 5.540 -11.014 -4.244 1.00 74.24 N ATOM 0 H ARG A 72 -1.592 -10.981 -3.689 1.00 1.43 H new ATOM 0 HA ARG A 72 -0.511 -8.554 -2.995 1.00 44.24 H new ATOM 0 HB2 ARG A 72 -0.476 -10.263 -5.412 1.00 20.22 H new ATOM 0 HB3 ARG A 72 -0.167 -8.569 -5.738 1.00 20.22 H new ATOM 0 HG2 ARG A 72 1.648 -8.529 -4.085 1.00 24.51 H new ATOM 0 HG3 ARG A 72 1.287 -10.172 -3.594 1.00 24.51 H new ATOM 0 HD2 ARG A 72 1.963 -11.030 -5.803 1.00 4.10 H new ATOM 0 HD3 ARG A 72 2.200 -9.400 -6.401 1.00 4.10 H new ATOM 0 HE ARG A 72 3.867 -9.201 -4.391 1.00 14.41 H new ATOM 0 HH11 ARG A 72 3.646 -11.808 -6.731 1.00 54.04 H new ATOM 0 HH12 ARG A 72 5.147 -12.568 -6.194 1.00 54.04 H new ATOM 0 HH21 ARG A 72 5.599 -10.339 -3.482 1.00 74.24 H new ATOM 0 HH22 ARG A 72 6.257 -11.732 -4.346 1.00 74.24 H new ATOM 1198 N LYS A 73 -2.970 -8.278 -5.223 1.00 64.24 N ATOM 1199 CA LYS A 73 -4.023 -7.449 -5.785 1.00 2.53 C ATOM 1200 C LYS A 73 -4.949 -6.985 -4.677 1.00 1.23 C ATOM 1201 O LYS A 73 -5.117 -5.785 -4.521 1.00 55.21 O ATOM 1202 CB LYS A 73 -4.773 -8.230 -6.878 1.00 34.23 C ATOM 1203 CG LYS A 73 -3.920 -8.285 -8.151 1.00 63.11 C ATOM 1204 CD LYS A 73 -4.332 -9.416 -9.101 1.00 42.23 C ATOM 1205 CE LYS A 73 -3.648 -9.267 -10.468 1.00 22.32 C ATOM 1206 NZ LYS A 73 -2.176 -9.122 -10.381 1.00 41.12 N1+ ATOM 0 H LYS A 73 -2.984 -9.233 -5.581 1.00 64.24 H new ATOM 0 HA LYS A 73 -3.594 -6.562 -6.252 1.00 2.53 H new ATOM 0 HB2 LYS A 73 -4.992 -9.240 -6.531 1.00 34.23 H new ATOM 0 HB3 LYS A 73 -5.729 -7.751 -7.090 1.00 34.23 H new ATOM 0 HG2 LYS A 73 -3.997 -7.332 -8.675 1.00 63.11 H new ATOM 0 HG3 LYS A 73 -2.873 -8.413 -7.875 1.00 63.11 H new ATOM 0 HD2 LYS A 73 -4.068 -10.378 -8.662 1.00 42.23 H new ATOM 0 HD3 LYS A 73 -5.414 -9.411 -9.230 1.00 42.23 H new ATOM 0 HE2 LYS A 73 -3.884 -10.138 -11.080 1.00 22.32 H new ATOM 0 HE3 LYS A 73 -4.061 -8.397 -10.979 1.00 22.32 H new ATOM 0 HZ1 LYS A 73 -1.763 -9.196 -11.333 1.00 41.12 H new ATOM 0 HZ2 LYS A 73 -1.942 -8.194 -9.973 1.00 41.12 H new ATOM 0 HZ3 LYS A 73 -1.788 -9.874 -9.776 1.00 41.12 H new ATOM 1220 N ASN A 74 -5.543 -7.897 -3.911 1.00 53.23 N ATOM 1221 CA ASN A 74 -6.618 -7.578 -2.973 1.00 31.13 C ATOM 1222 C ASN A 74 -6.167 -6.564 -1.917 1.00 50.53 C ATOM 1223 O ASN A 74 -6.944 -5.674 -1.577 1.00 74.44 O ATOM 1224 CB ASN A 74 -7.177 -8.862 -2.331 1.00 21.11 C ATOM 1225 CG ASN A 74 -8.049 -9.683 -3.284 1.00 15.34 C ATOM 1226 OD1 ASN A 74 -8.241 -9.345 -4.447 1.00 63.22 O ATOM 1227 ND2 ASN A 74 -8.591 -10.800 -2.837 1.00 4.44 N ATOM 0 H ASN A 74 -5.291 -8.885 -3.923 1.00 53.23 H new ATOM 0 HA ASN A 74 -7.424 -7.107 -3.535 1.00 31.13 H new ATOM 0 HB2 ASN A 74 -6.347 -9.479 -1.986 1.00 21.11 H new ATOM 0 HB3 ASN A 74 -7.763 -8.595 -1.452 1.00 21.11 H new ATOM 0 HD21 ASN A 74 -9.163 -11.373 -3.457 1.00 4.44 H new ATOM 0 HD22 ASN A 74 -8.438 -11.090 -1.871 1.00 4.44 H new ATOM 1234 N LEU A 75 -4.920 -6.643 -1.434 1.00 65.10 N ATOM 1235 CA LEU A 75 -4.321 -5.643 -0.544 1.00 4.53 C ATOM 1236 C LEU A 75 -4.216 -4.292 -1.253 1.00 24.52 C ATOM 1237 O LEU A 75 -4.664 -3.286 -0.706 1.00 41.55 O ATOM 1238 CB LEU A 75 -2.951 -6.108 -0.006 1.00 10.04 C ATOM 1239 CG LEU A 75 -3.052 -6.873 1.330 1.00 13.31 C ATOM 1240 CD1 LEU A 75 -3.862 -8.169 1.258 1.00 32.35 C ATOM 1241 CD2 LEU A 75 -1.666 -7.186 1.900 1.00 54.21 C ATOM 0 H LEU A 75 -4.291 -7.415 -1.655 1.00 65.10 H new ATOM 0 HA LEU A 75 -4.976 -5.524 0.319 1.00 4.53 H new ATOM 0 HB2 LEU A 75 -2.474 -6.748 -0.749 1.00 10.04 H new ATOM 0 HB3 LEU A 75 -2.306 -5.239 0.128 1.00 10.04 H new ATOM 0 HG LEU A 75 -3.591 -6.194 1.991 1.00 13.31 H new ATOM 0 HD11 LEU A 75 -3.881 -8.641 2.240 1.00 32.35 H new ATOM 0 HD12 LEU A 75 -4.881 -7.944 0.944 1.00 32.35 H new ATOM 0 HD13 LEU A 75 -3.402 -8.846 0.539 1.00 32.35 H new ATOM 0 HD21 LEU A 75 -1.773 -7.725 2.841 1.00 54.21 H new ATOM 0 HD22 LEU A 75 -1.111 -7.800 1.191 1.00 54.21 H new ATOM 0 HD23 LEU A 75 -1.126 -6.256 2.074 1.00 54.21 H new ATOM 1253 N TRP A 76 -3.652 -4.249 -2.464 1.00 13.51 N ATOM 1254 CA TRP A 76 -3.581 -3.008 -3.223 1.00 2.42 C ATOM 1255 C TRP A 76 -4.970 -2.419 -3.493 1.00 30.11 C ATOM 1256 O TRP A 76 -5.126 -1.205 -3.412 1.00 22.05 O ATOM 1257 CB TRP A 76 -2.785 -3.203 -4.525 1.00 34.53 C ATOM 1258 CG TRP A 76 -1.296 -3.071 -4.404 1.00 52.32 C ATOM 1259 CD1 TRP A 76 -0.386 -3.925 -4.923 1.00 3.24 C ATOM 1260 CD2 TRP A 76 -0.518 -2.012 -3.758 1.00 74.43 C ATOM 1261 NE1 TRP A 76 0.889 -3.509 -4.595 1.00 61.30 N ATOM 1262 CE2 TRP A 76 0.863 -2.352 -3.851 1.00 73.42 C ATOM 1263 CE3 TRP A 76 -0.834 -0.803 -3.095 1.00 24.41 C ATOM 1264 CZ2 TRP A 76 1.870 -1.573 -3.268 1.00 54.25 C ATOM 1265 CZ3 TRP A 76 0.174 0.008 -2.535 1.00 54.41 C ATOM 1266 CH2 TRP A 76 1.517 -0.388 -2.608 1.00 33.11 C ATOM 0 H TRP A 76 -3.242 -5.057 -2.933 1.00 13.51 H new ATOM 0 HA TRP A 76 -3.046 -2.282 -2.611 1.00 2.42 H new ATOM 0 HB2 TRP A 76 -3.012 -4.192 -4.923 1.00 34.53 H new ATOM 0 HB3 TRP A 76 -3.137 -2.476 -5.257 1.00 34.53 H new ATOM 0 HD1 TRP A 76 -0.621 -4.802 -5.507 1.00 3.24 H new ATOM 0 HE1 TRP A 76 1.742 -3.997 -4.869 1.00 61.30 H new ATOM 0 HE3 TRP A 76 -1.866 -0.496 -3.016 1.00 24.41 H new ATOM 0 HZ2 TRP A 76 2.904 -1.881 -3.326 1.00 54.25 H new ATOM 0 HZ3 TRP A 76 -0.089 0.936 -2.049 1.00 54.41 H new ATOM 0 HH2 TRP A 76 2.283 0.223 -2.154 1.00 33.11 H new ATOM 1277 N ILE A 77 -5.972 -3.242 -3.811 1.00 1.43 N ATOM 1278 CA ILE A 77 -7.347 -2.818 -4.076 1.00 32.02 C ATOM 1279 C ILE A 77 -7.946 -2.253 -2.798 1.00 35.11 C ATOM 1280 O ILE A 77 -8.624 -1.234 -2.859 1.00 41.01 O ATOM 1281 CB ILE A 77 -8.191 -3.981 -4.646 1.00 24.14 C ATOM 1282 CG1 ILE A 77 -7.637 -4.336 -6.040 1.00 65.31 C ATOM 1283 CG2 ILE A 77 -9.686 -3.616 -4.747 1.00 5.42 C ATOM 1284 CD1 ILE A 77 -8.186 -5.644 -6.615 1.00 32.44 C ATOM 0 H ILE A 77 -5.844 -4.251 -3.893 1.00 1.43 H new ATOM 0 HA ILE A 77 -7.347 -2.037 -4.837 1.00 32.02 H new ATOM 0 HB ILE A 77 -8.119 -4.833 -3.971 1.00 24.14 H new ATOM 0 HG12 ILE A 77 -7.868 -3.523 -6.729 1.00 65.31 H new ATOM 0 HG13 ILE A 77 -6.551 -4.405 -5.981 1.00 65.31 H new ATOM 0 HG21 ILE A 77 -10.241 -4.462 -5.152 1.00 5.42 H new ATOM 0 HG22 ILE A 77 -10.069 -3.372 -3.756 1.00 5.42 H new ATOM 0 HG23 ILE A 77 -9.807 -2.755 -5.404 1.00 5.42 H new ATOM 0 HD11 ILE A 77 -7.748 -5.822 -7.597 1.00 32.44 H new ATOM 0 HD12 ILE A 77 -7.932 -6.469 -5.949 1.00 32.44 H new ATOM 0 HD13 ILE A 77 -9.270 -5.574 -6.709 1.00 32.44 H new ATOM 1296 N PHE A 78 -7.692 -2.888 -1.656 1.00 63.05 N ATOM 1297 CA PHE A 78 -8.152 -2.368 -0.377 1.00 71.52 C ATOM 1298 C PHE A 78 -7.613 -0.956 -0.146 1.00 63.24 C ATOM 1299 O PHE A 78 -8.391 -0.032 0.082 1.00 12.03 O ATOM 1300 CB PHE A 78 -7.757 -3.286 0.782 1.00 45.03 C ATOM 1301 CG PHE A 78 -8.254 -2.761 2.112 1.00 51.35 C ATOM 1302 CD1 PHE A 78 -9.638 -2.640 2.358 1.00 11.10 C ATOM 1303 CD2 PHE A 78 -7.328 -2.388 3.104 1.00 64.41 C ATOM 1304 CE1 PHE A 78 -10.095 -2.129 3.584 1.00 12.10 C ATOM 1305 CE2 PHE A 78 -7.792 -1.875 4.326 1.00 14.45 C ATOM 1306 CZ PHE A 78 -9.170 -1.726 4.562 1.00 25.55 C ATOM 0 H PHE A 78 -7.170 -3.762 -1.593 1.00 63.05 H new ATOM 0 HA PHE A 78 -9.241 -2.328 -0.412 1.00 71.52 H new ATOM 0 HB2 PHE A 78 -8.163 -4.283 0.610 1.00 45.03 H new ATOM 0 HB3 PHE A 78 -6.672 -3.385 0.813 1.00 45.03 H new ATOM 0 HD1 PHE A 78 -10.348 -2.941 1.602 1.00 11.10 H new ATOM 0 HD2 PHE A 78 -6.268 -2.496 2.927 1.00 64.41 H new ATOM 0 HE1 PHE A 78 -11.155 -2.046 3.775 1.00 12.10 H new ATOM 0 HE2 PHE A 78 -7.084 -1.592 5.091 1.00 14.45 H new ATOM 0 HZ PHE A 78 -9.517 -1.303 5.493 1.00 25.55 H new ATOM 1316 N VAL A 79 -6.290 -0.789 -0.205 1.00 42.13 N ATOM 1317 CA VAL A 79 -5.666 0.502 0.055 1.00 72.11 C ATOM 1318 C VAL A 79 -6.136 1.524 -0.978 1.00 63.14 C ATOM 1319 O VAL A 79 -6.392 2.655 -0.597 1.00 61.34 O ATOM 1320 CB VAL A 79 -4.135 0.368 0.117 1.00 54.40 C ATOM 1321 CG1 VAL A 79 -3.433 1.710 0.358 1.00 35.12 C ATOM 1322 CG2 VAL A 79 -3.767 -0.566 1.274 1.00 22.13 C ATOM 0 H VAL A 79 -5.633 -1.535 -0.431 1.00 42.13 H new ATOM 0 HA VAL A 79 -5.978 0.867 1.034 1.00 72.11 H new ATOM 0 HB VAL A 79 -3.806 -0.021 -0.847 1.00 54.40 H new ATOM 0 HG11 VAL A 79 -2.355 1.555 0.393 1.00 35.12 H new ATOM 0 HG12 VAL A 79 -3.675 2.398 -0.452 1.00 35.12 H new ATOM 0 HG13 VAL A 79 -3.770 2.132 1.305 1.00 35.12 H new ATOM 0 HG21 VAL A 79 -2.683 -0.669 1.328 1.00 22.13 H new ATOM 0 HG22 VAL A 79 -4.139 -0.150 2.210 1.00 22.13 H new ATOM 0 HG23 VAL A 79 -4.217 -1.545 1.108 1.00 22.13 H new ATOM 1332 N SER A 80 -6.338 1.117 -2.233 1.00 34.12 N ATOM 1333 CA SER A 80 -6.849 1.942 -3.326 1.00 61.41 C ATOM 1334 C SER A 80 -8.213 2.590 -3.045 1.00 21.53 C ATOM 1335 O SER A 80 -8.642 3.387 -3.883 1.00 43.34 O ATOM 1336 CB SER A 80 -6.901 1.064 -4.587 1.00 54.34 C ATOM 1337 OG SER A 80 -7.515 1.651 -5.724 1.00 43.03 O ATOM 0 H SER A 80 -6.141 0.160 -2.527 1.00 34.12 H new ATOM 0 HA SER A 80 -6.172 2.786 -3.457 1.00 61.41 H new ATOM 0 HB2 SER A 80 -5.882 0.782 -4.853 1.00 54.34 H new ATOM 0 HB3 SER A 80 -7.433 0.144 -4.345 1.00 54.34 H new ATOM 0 HG SER A 80 -8.036 2.433 -5.447 1.00 43.03 H new ATOM 1343 N LYS A 81 -8.924 2.252 -1.961 1.00 14.35 N ATOM 1344 CA LYS A 81 -10.108 3.004 -1.538 1.00 53.15 C ATOM 1345 C LYS A 81 -9.673 4.249 -0.776 1.00 44.31 C ATOM 1346 O LYS A 81 -10.271 5.309 -0.950 1.00 0.54 O ATOM 1347 CB LYS A 81 -11.043 2.150 -0.660 1.00 41.41 C ATOM 1348 CG LYS A 81 -11.968 1.224 -1.466 1.00 35.41 C ATOM 1349 CD LYS A 81 -11.245 0.068 -2.162 1.00 70.23 C ATOM 1350 CE LYS A 81 -12.100 -0.628 -3.214 1.00 21.01 C ATOM 1351 NZ LYS A 81 -13.384 -1.119 -2.690 1.00 70.41 N1+ ATOM 0 H LYS A 81 -8.697 1.459 -1.361 1.00 14.35 H new ATOM 0 HA LYS A 81 -10.664 3.290 -2.431 1.00 53.15 H new ATOM 0 HB2 LYS A 81 -10.440 1.546 0.018 1.00 41.41 H new ATOM 0 HB3 LYS A 81 -11.652 2.811 -0.043 1.00 41.41 H new ATOM 0 HG2 LYS A 81 -12.726 0.815 -0.798 1.00 35.41 H new ATOM 0 HG3 LYS A 81 -12.491 1.816 -2.217 1.00 35.41 H new ATOM 0 HD2 LYS A 81 -10.338 0.446 -2.633 1.00 70.23 H new ATOM 0 HD3 LYS A 81 -10.936 -0.662 -1.414 1.00 70.23 H new ATOM 0 HE2 LYS A 81 -12.291 0.065 -4.033 1.00 21.01 H new ATOM 0 HE3 LYS A 81 -11.541 -1.466 -3.630 1.00 21.01 H new ATOM 0 HZ1 LYS A 81 -13.879 -1.655 -3.431 1.00 70.41 H new ATOM 0 HZ2 LYS A 81 -13.211 -1.738 -1.872 1.00 70.41 H new ATOM 0 HZ3 LYS A 81 -13.970 -0.312 -2.396 1.00 70.41 H new ATOM 1365 N PHE A 82 -8.643 4.115 0.049 1.00 71.53 N ATOM 1366 CA PHE A 82 -8.127 5.106 0.970 1.00 3.11 C ATOM 1367 C PHE A 82 -7.045 5.978 0.324 1.00 61.04 C ATOM 1368 O PHE A 82 -6.040 6.263 0.973 1.00 45.15 O ATOM 1369 CB PHE A 82 -7.571 4.375 2.203 1.00 72.45 C ATOM 1370 CG PHE A 82 -8.615 3.654 3.027 1.00 40.53 C ATOM 1371 CD1 PHE A 82 -9.333 4.346 4.018 1.00 43.53 C ATOM 1372 CD2 PHE A 82 -8.897 2.300 2.776 1.00 61.03 C ATOM 1373 CE1 PHE A 82 -10.332 3.687 4.751 1.00 11.10 C ATOM 1374 CE2 PHE A 82 -9.905 1.648 3.502 1.00 43.31 C ATOM 1375 CZ PHE A 82 -10.625 2.337 4.493 1.00 61.24 C ATOM 0 H PHE A 82 -8.111 3.246 0.091 1.00 71.53 H new ATOM 0 HA PHE A 82 -8.935 5.777 1.260 1.00 3.11 H new ATOM 0 HB2 PHE A 82 -6.823 3.653 1.875 1.00 72.45 H new ATOM 0 HB3 PHE A 82 -7.060 5.098 2.839 1.00 72.45 H new ATOM 0 HD1 PHE A 82 -9.116 5.385 4.215 1.00 43.53 H new ATOM 0 HD2 PHE A 82 -8.338 1.762 2.025 1.00 61.03 H new ATOM 0 HE1 PHE A 82 -10.878 4.219 5.516 1.00 11.10 H new ATOM 0 HE2 PHE A 82 -10.129 0.611 3.298 1.00 43.31 H new ATOM 0 HZ PHE A 82 -11.399 1.832 5.053 1.00 61.24 H new ATOM 1385 N THR A 83 -7.193 6.383 -0.938 1.00 61.12 N ATOM 1386 CA THR A 83 -6.234 7.294 -1.552 1.00 12.22 C ATOM 1387 C THR A 83 -6.795 7.870 -2.860 1.00 51.24 C ATOM 1388 O THR A 83 -7.715 7.309 -3.469 1.00 21.11 O ATOM 1389 CB THR A 83 -4.894 6.547 -1.780 1.00 21.14 C ATOM 1390 OG1 THR A 83 -3.935 7.331 -2.462 1.00 14.11 O ATOM 1391 CG2 THR A 83 -5.075 5.246 -2.554 1.00 21.44 C ATOM 0 H THR A 83 -7.960 6.097 -1.547 1.00 61.12 H new ATOM 0 HA THR A 83 -6.051 8.137 -0.886 1.00 12.22 H new ATOM 0 HB THR A 83 -4.531 6.329 -0.775 1.00 21.14 H new ATOM 0 HG1 THR A 83 -3.111 6.813 -2.577 1.00 14.11 H new ATOM 0 HG21 THR A 83 -4.107 4.763 -2.686 1.00 21.44 H new ATOM 0 HG22 THR A 83 -5.739 4.582 -2.000 1.00 21.44 H new ATOM 0 HG23 THR A 83 -5.509 5.461 -3.530 1.00 21.44 H new ATOM 1399 N GLU A 84 -6.150 8.930 -3.358 1.00 33.14 N ATOM 1400 CA GLU A 84 -6.253 9.447 -4.720 1.00 74.01 C ATOM 1401 C GLU A 84 -5.546 8.536 -5.746 1.00 43.32 C ATOM 1402 O GLU A 84 -5.763 8.718 -6.948 1.00 63.43 O ATOM 1403 CB GLU A 84 -5.612 10.850 -4.779 1.00 14.25 C ATOM 1404 CG GLU A 84 -6.414 11.959 -4.076 1.00 22.52 C ATOM 1405 CD GLU A 84 -7.624 12.405 -4.903 1.00 53.53 C ATOM 1406 OE1 GLU A 84 -8.686 11.748 -4.846 1.00 15.35 O1- ATOM 1407 OE2 GLU A 84 -7.539 13.407 -5.649 1.00 3.33 O ATOM 0 H GLU A 84 -5.507 9.478 -2.787 1.00 33.14 H new ATOM 0 HA GLU A 84 -7.311 9.487 -4.978 1.00 74.01 H new ATOM 0 HB2 GLU A 84 -4.620 10.799 -4.330 1.00 14.25 H new ATOM 0 HB3 GLU A 84 -5.475 11.127 -5.824 1.00 14.25 H new ATOM 0 HG2 GLU A 84 -6.752 11.601 -3.103 1.00 22.52 H new ATOM 0 HG3 GLU A 84 -5.765 12.815 -3.893 1.00 22.52 H new ATOM 1414 N PHE A 85 -4.685 7.598 -5.331 1.00 73.53 N ATOM 1415 CA PHE A 85 -3.917 6.712 -6.210 1.00 60.43 C ATOM 1416 C PHE A 85 -4.533 5.317 -6.279 1.00 31.05 C ATOM 1417 O PHE A 85 -4.370 4.513 -5.368 1.00 71.34 O ATOM 1418 CB PHE A 85 -2.461 6.599 -5.732 1.00 20.01 C ATOM 1419 CG PHE A 85 -1.573 7.789 -6.028 1.00 53.30 C ATOM 1420 CD1 PHE A 85 -1.385 8.224 -7.353 1.00 44.43 C ATOM 1421 CD2 PHE A 85 -0.890 8.440 -4.985 1.00 1.42 C ATOM 1422 CE1 PHE A 85 -0.516 9.290 -7.635 1.00 63.20 C ATOM 1423 CE2 PHE A 85 -0.023 9.508 -5.270 1.00 70.20 C ATOM 1424 CZ PHE A 85 0.169 9.935 -6.594 1.00 71.12 C ATOM 0 H PHE A 85 -4.499 7.431 -4.342 1.00 73.53 H new ATOM 0 HA PHE A 85 -3.940 7.153 -7.207 1.00 60.43 H new ATOM 0 HB2 PHE A 85 -2.465 6.432 -4.655 1.00 20.01 H new ATOM 0 HB3 PHE A 85 -2.016 5.716 -6.190 1.00 20.01 H new ATOM 0 HD1 PHE A 85 -1.913 7.735 -8.158 1.00 44.43 H new ATOM 0 HD2 PHE A 85 -1.032 8.118 -3.964 1.00 1.42 H new ATOM 0 HE1 PHE A 85 -0.374 9.614 -8.655 1.00 63.20 H new ATOM 0 HE2 PHE A 85 0.499 10.004 -4.465 1.00 70.20 H new ATOM 0 HZ PHE A 85 0.839 10.754 -6.809 1.00 71.12 H new ATOM 1434 N ASP A 86 -5.162 4.999 -7.410 1.00 63.21 N ATOM 1435 CA ASP A 86 -5.665 3.662 -7.717 1.00 42.44 C ATOM 1436 C ASP A 86 -4.621 2.575 -7.456 1.00 50.23 C ATOM 1437 O ASP A 86 -3.426 2.817 -7.568 1.00 3.02 O ATOM 1438 CB ASP A 86 -5.972 3.566 -9.205 1.00 35.42 C ATOM 1439 CG ASP A 86 -6.747 2.298 -9.518 1.00 61.50 C ATOM 1440 OD1 ASP A 86 -7.946 2.204 -9.176 1.00 54.44 O ATOM 1441 OD2 ASP A 86 -6.112 1.363 -10.063 1.00 23.14 O1- ATOM 0 H ASP A 86 -5.339 5.676 -8.152 1.00 63.21 H new ATOM 0 HA ASP A 86 -6.540 3.512 -7.084 1.00 42.44 H new ATOM 0 HB2 ASP A 86 -6.549 4.436 -9.518 1.00 35.42 H new ATOM 0 HB3 ASP A 86 -5.042 3.578 -9.774 1.00 35.42 H new ATOM 1446 N ALA A 87 -5.060 1.332 -7.313 1.00 34.50 N ATOM 1447 CA ALA A 87 -4.225 0.152 -7.103 1.00 54.34 C ATOM 1448 C ALA A 87 -3.174 -0.015 -8.204 1.00 42.15 C ATOM 1449 O ALA A 87 -2.079 -0.502 -7.927 1.00 54.10 O ATOM 1450 CB ALA A 87 -5.107 -1.101 -7.016 1.00 13.05 C ATOM 0 H ALA A 87 -6.054 1.106 -7.341 1.00 34.50 H new ATOM 0 HA ALA A 87 -3.689 0.289 -6.164 1.00 54.34 H new ATOM 0 HB1 ALA A 87 -4.479 -1.978 -6.859 1.00 13.05 H new ATOM 0 HB2 ALA A 87 -5.802 -0.999 -6.183 1.00 13.05 H new ATOM 0 HB3 ALA A 87 -5.667 -1.217 -7.944 1.00 13.05 H new ATOM 1456 N ARG A 88 -3.472 0.384 -9.448 1.00 54.42 N ATOM 1457 CA ARG A 88 -2.484 0.421 -10.521 1.00 71.23 C ATOM 1458 C ARG A 88 -1.398 1.435 -10.169 1.00 35.22 C ATOM 1459 O ARG A 88 -0.219 1.060 -10.104 1.00 74.21 O ATOM 1460 CB ARG A 88 -3.148 0.719 -11.879 1.00 33.21 C ATOM 1461 CG ARG A 88 -2.168 0.555 -13.060 1.00 42.33 C ATOM 1462 CD ARG A 88 -2.457 -0.661 -13.949 1.00 12.42 C ATOM 1463 NE ARG A 88 -3.575 -0.419 -14.868 1.00 52.53 N ATOM 1464 CZ ARG A 88 -4.233 -1.338 -15.582 1.00 51.53 C ATOM 1465 NH1 ARG A 88 -3.985 -2.638 -15.429 1.00 3.04 N1+ ATOM 1466 NH2 ARG A 88 -5.139 -0.945 -16.464 1.00 13.42 N ATOM 0 H ARG A 88 -4.403 0.688 -9.732 1.00 54.42 H new ATOM 0 HA ARG A 88 -2.017 -0.559 -10.621 1.00 71.23 H new ATOM 0 HB2 ARG A 88 -3.998 0.051 -12.020 1.00 33.21 H new ATOM 0 HB3 ARG A 88 -3.540 1.736 -11.874 1.00 33.21 H new ATOM 0 HG2 ARG A 88 -2.201 1.456 -13.673 1.00 42.33 H new ATOM 0 HG3 ARG A 88 -1.154 0.473 -12.668 1.00 42.33 H new ATOM 0 HD2 ARG A 88 -1.564 -0.911 -14.522 1.00 12.42 H new ATOM 0 HD3 ARG A 88 -2.684 -1.523 -13.321 1.00 12.42 H new ATOM 0 HE ARG A 88 -3.881 0.548 -14.973 1.00 52.53 H new ATOM 0 HH11 ARG A 88 -3.282 -2.948 -14.758 1.00 3.04 H new ATOM 0 HH12 ARG A 88 -4.498 -3.324 -15.983 1.00 3.04 H new ATOM 0 HH21 ARG A 88 -5.328 0.049 -16.592 1.00 13.42 H new ATOM 0 HH22 ARG A 88 -5.648 -1.636 -17.015 1.00 13.42 H new ATOM 1480 N LYS A 89 -1.810 2.688 -9.932 1.00 15.10 N ATOM 1481 CA LYS A 89 -0.937 3.806 -9.589 1.00 14.14 C ATOM 1482 C LYS A 89 -0.117 3.441 -8.358 1.00 2.34 C ATOM 1483 O LYS A 89 1.100 3.405 -8.461 1.00 51.34 O ATOM 1484 CB LYS A 89 -1.735 5.107 -9.373 1.00 41.42 C ATOM 1485 CG LYS A 89 -2.096 5.913 -10.635 1.00 43.13 C ATOM 1486 CD LYS A 89 -2.980 5.172 -11.647 1.00 64.32 C ATOM 1487 CE LYS A 89 -3.561 6.085 -12.739 1.00 13.54 C ATOM 1488 NZ LYS A 89 -2.544 6.647 -13.653 1.00 75.22 N1+ ATOM 0 H LYS A 89 -2.794 2.954 -9.977 1.00 15.10 H new ATOM 0 HA LYS A 89 -0.261 3.995 -10.423 1.00 14.14 H new ATOM 0 HB2 LYS A 89 -2.660 4.857 -8.853 1.00 41.42 H new ATOM 0 HB3 LYS A 89 -1.160 5.753 -8.709 1.00 41.42 H new ATOM 0 HG2 LYS A 89 -2.606 6.827 -10.331 1.00 43.13 H new ATOM 0 HG3 LYS A 89 -1.174 6.213 -11.132 1.00 43.13 H new ATOM 0 HD2 LYS A 89 -2.395 4.382 -12.118 1.00 64.32 H new ATOM 0 HD3 LYS A 89 -3.799 4.688 -11.116 1.00 64.32 H new ATOM 0 HE2 LYS A 89 -4.287 5.520 -13.323 1.00 13.54 H new ATOM 0 HE3 LYS A 89 -4.101 6.904 -12.265 1.00 13.54 H new ATOM 0 HZ1 LYS A 89 -3.009 7.251 -14.361 1.00 75.22 H new ATOM 0 HZ2 LYS A 89 -1.863 7.214 -13.108 1.00 75.22 H new ATOM 0 HZ3 LYS A 89 -2.043 5.872 -14.134 1.00 75.22 H new ATOM 1502 N LEU A 90 -0.750 3.177 -7.215 1.00 2.34 N ATOM 1503 CA LEU A 90 -0.134 2.964 -5.912 1.00 62.33 C ATOM 1504 C LEU A 90 0.985 1.939 -5.986 1.00 70.22 C ATOM 1505 O LEU A 90 2.098 2.205 -5.549 1.00 13.11 O ATOM 1506 CB LEU A 90 -1.193 2.528 -4.886 1.00 42.24 C ATOM 1507 CG LEU A 90 -1.203 3.407 -3.628 1.00 14.23 C ATOM 1508 CD1 LEU A 90 -2.257 2.865 -2.670 1.00 34.32 C ATOM 1509 CD2 LEU A 90 0.169 3.579 -2.962 1.00 43.35 C ATOM 0 H LEU A 90 -1.766 3.102 -7.175 1.00 2.34 H new ATOM 0 HA LEU A 90 0.303 3.910 -5.591 1.00 62.33 H new ATOM 0 HB2 LEU A 90 -2.178 2.559 -5.352 1.00 42.24 H new ATOM 0 HB3 LEU A 90 -1.009 1.493 -4.598 1.00 42.24 H new ATOM 0 HG LEU A 90 -1.463 4.422 -3.930 1.00 14.23 H new ATOM 0 HD11 LEU A 90 -2.279 3.478 -1.769 1.00 34.32 H new ATOM 0 HD12 LEU A 90 -3.235 2.892 -3.151 1.00 34.32 H new ATOM 0 HD13 LEU A 90 -2.012 1.837 -2.404 1.00 34.32 H new ATOM 0 HD21 LEU A 90 0.069 4.214 -2.082 1.00 43.35 H new ATOM 0 HD22 LEU A 90 0.554 2.604 -2.664 1.00 43.35 H new ATOM 0 HD23 LEU A 90 0.860 4.042 -3.667 1.00 43.35 H new ATOM 1521 N HIS A 91 0.710 0.785 -6.591 1.00 11.24 N ATOM 1522 CA HIS A 91 1.677 -0.285 -6.784 1.00 44.30 C ATOM 1523 C HIS A 91 2.927 0.221 -7.527 1.00 65.40 C ATOM 1524 O HIS A 91 4.053 -0.077 -7.116 1.00 62.10 O ATOM 1525 CB HIS A 91 0.939 -1.416 -7.512 1.00 74.21 C ATOM 1526 CG HIS A 91 1.685 -2.700 -7.764 1.00 23.33 C ATOM 1527 ND1 HIS A 91 2.943 -3.050 -7.330 1.00 12.20 N ATOM 1528 CD2 HIS A 91 1.158 -3.789 -8.404 1.00 63.15 C ATOM 1529 CE1 HIS A 91 3.166 -4.318 -7.719 1.00 30.45 C ATOM 1530 NE2 HIS A 91 2.107 -4.813 -8.382 1.00 10.32 N ATOM 0 H HIS A 91 -0.212 0.567 -6.968 1.00 11.24 H new ATOM 0 HA HIS A 91 2.061 -0.661 -5.836 1.00 44.30 H new ATOM 0 HB2 HIS A 91 0.045 -1.657 -6.936 1.00 74.21 H new ATOM 0 HB3 HIS A 91 0.603 -1.030 -8.475 1.00 74.21 H new ATOM 0 HD2 HIS A 91 0.176 -3.846 -8.850 1.00 63.15 H new ATOM 0 HE1 HIS A 91 4.076 -4.866 -7.524 1.00 30.45 H new ATOM 0 HE2 HIS A 91 2.015 -5.745 -8.786 1.00 10.32 H new ATOM 1538 N LYS A 92 2.762 0.989 -8.615 1.00 0.33 N ATOM 1539 CA LYS A 92 3.886 1.632 -9.308 1.00 62.41 C ATOM 1540 C LYS A 92 4.562 2.673 -8.412 1.00 4.02 C ATOM 1541 O LYS A 92 5.787 2.696 -8.327 1.00 61.24 O ATOM 1542 CB LYS A 92 3.433 2.295 -10.625 1.00 22.30 C ATOM 1543 CG LYS A 92 3.600 1.374 -11.843 1.00 2.40 C ATOM 1544 CD LYS A 92 3.445 2.171 -13.149 1.00 24.33 C ATOM 1545 CE LYS A 92 3.804 1.356 -14.397 1.00 65.23 C ATOM 1546 NZ LYS A 92 2.728 0.445 -14.843 1.00 43.32 N1+ ATOM 0 H LYS A 92 1.853 1.180 -9.036 1.00 0.33 H new ATOM 0 HA LYS A 92 4.606 0.849 -9.545 1.00 62.41 H new ATOM 0 HB2 LYS A 92 2.387 2.588 -10.538 1.00 22.30 H new ATOM 0 HB3 LYS A 92 4.008 3.207 -10.784 1.00 22.30 H new ATOM 0 HG2 LYS A 92 4.581 0.899 -11.815 1.00 2.40 H new ATOM 0 HG3 LYS A 92 2.858 0.576 -11.807 1.00 2.40 H new ATOM 0 HD2 LYS A 92 2.416 2.521 -13.234 1.00 24.33 H new ATOM 0 HD3 LYS A 92 4.080 3.056 -13.105 1.00 24.33 H new ATOM 0 HE2 LYS A 92 4.048 2.041 -15.209 1.00 65.23 H new ATOM 0 HE3 LYS A 92 4.701 0.772 -14.193 1.00 65.23 H new ATOM 0 HZ1 LYS A 92 3.040 -0.073 -15.689 1.00 43.32 H new ATOM 0 HZ2 LYS A 92 2.509 -0.232 -14.084 1.00 43.32 H new ATOM 0 HZ3 LYS A 92 1.877 0.998 -15.069 1.00 43.32 H new ATOM 1560 N LEU A 93 3.791 3.537 -7.752 1.00 63.33 N ATOM 1561 CA LEU A 93 4.292 4.615 -6.902 1.00 20.11 C ATOM 1562 C LEU A 93 5.173 4.040 -5.796 1.00 43.43 C ATOM 1563 O LEU A 93 6.273 4.553 -5.584 1.00 62.13 O ATOM 1564 CB LEU A 93 3.133 5.447 -6.301 1.00 1.11 C ATOM 1565 CG LEU A 93 2.728 6.731 -7.056 1.00 52.21 C ATOM 1566 CD1 LEU A 93 3.879 7.738 -7.122 1.00 23.33 C ATOM 1567 CD2 LEU A 93 2.218 6.474 -8.474 1.00 24.41 C ATOM 0 H LEU A 93 2.772 3.505 -7.796 1.00 63.33 H new ATOM 0 HA LEU A 93 4.890 5.286 -7.519 1.00 20.11 H new ATOM 0 HB2 LEU A 93 2.255 4.804 -6.231 1.00 1.11 H new ATOM 0 HB3 LEU A 93 3.407 5.725 -5.283 1.00 1.11 H new ATOM 0 HG LEU A 93 1.905 7.145 -6.474 1.00 52.21 H new ATOM 0 HD11 LEU A 93 3.554 8.628 -7.661 1.00 23.33 H new ATOM 0 HD12 LEU A 93 4.178 8.015 -6.111 1.00 23.33 H new ATOM 0 HD13 LEU A 93 4.726 7.289 -7.641 1.00 23.33 H new ATOM 0 HD21 LEU A 93 1.952 7.422 -8.943 1.00 24.41 H new ATOM 0 HD22 LEU A 93 2.998 5.986 -9.058 1.00 24.41 H new ATOM 0 HD23 LEU A 93 1.339 5.830 -8.434 1.00 24.41 H new ATOM 1579 N TYR A 94 4.722 2.989 -5.108 1.00 62.42 N ATOM 1580 CA TYR A 94 5.471 2.286 -4.079 1.00 42.52 C ATOM 1581 C TYR A 94 6.731 1.665 -4.662 1.00 73.20 C ATOM 1582 O TYR A 94 7.810 1.893 -4.112 1.00 63.02 O ATOM 1583 CB TYR A 94 4.606 1.211 -3.412 1.00 5.32 C ATOM 1584 CG TYR A 94 5.377 0.380 -2.401 1.00 33.45 C ATOM 1585 CD1 TYR A 94 6.015 1.006 -1.313 1.00 3.30 C ATOM 1586 CD2 TYR A 94 5.518 -1.005 -2.587 1.00 12.54 C ATOM 1587 CE1 TYR A 94 6.813 0.260 -0.431 1.00 21.21 C ATOM 1588 CE2 TYR A 94 6.279 -1.767 -1.688 1.00 73.21 C ATOM 1589 CZ TYR A 94 6.959 -1.133 -0.624 1.00 54.02 C ATOM 1590 OH TYR A 94 7.747 -1.852 0.213 1.00 52.45 O ATOM 0 H TYR A 94 3.794 2.595 -5.261 1.00 62.42 H new ATOM 0 HA TYR A 94 5.762 3.011 -3.319 1.00 42.52 H new ATOM 0 HB2 TYR A 94 3.761 1.688 -2.915 1.00 5.32 H new ATOM 0 HB3 TYR A 94 4.196 0.554 -4.179 1.00 5.32 H new ATOM 0 HD1 TYR A 94 5.890 2.067 -1.156 1.00 3.30 H new ATOM 0 HD2 TYR A 94 5.038 -1.486 -3.427 1.00 12.54 H new ATOM 0 HE1 TYR A 94 7.314 0.748 0.392 1.00 21.21 H new ATOM 0 HE2 TYR A 94 6.345 -2.838 -1.809 1.00 73.21 H new ATOM 0 HH TYR A 94 7.738 -2.794 -0.057 1.00 52.45 H new ATOM 1600 N LYS A 95 6.615 0.939 -5.785 1.00 41.45 N ATOM 1601 CA LYS A 95 7.781 0.388 -6.468 1.00 54.30 C ATOM 1602 C LYS A 95 8.818 1.479 -6.663 1.00 22.23 C ATOM 1603 O LYS A 95 9.917 1.379 -6.134 1.00 35.23 O ATOM 1604 CB LYS A 95 7.390 -0.252 -7.804 1.00 32.21 C ATOM 1605 CG LYS A 95 8.556 -1.068 -8.374 1.00 61.25 C ATOM 1606 CD LYS A 95 8.337 -1.334 -9.869 1.00 54.15 C ATOM 1607 CE LYS A 95 9.209 -2.470 -10.404 1.00 22.41 C ATOM 1608 NZ LYS A 95 8.965 -3.751 -9.709 1.00 12.11 N1+ ATOM 0 H LYS A 95 5.724 0.724 -6.233 1.00 41.45 H new ATOM 0 HA LYS A 95 8.212 -0.400 -5.850 1.00 54.30 H new ATOM 0 HB2 LYS A 95 6.522 -0.897 -7.664 1.00 32.21 H new ATOM 0 HB3 LYS A 95 7.100 0.523 -8.514 1.00 32.21 H new ATOM 0 HG2 LYS A 95 9.492 -0.530 -8.226 1.00 61.25 H new ATOM 0 HG3 LYS A 95 8.644 -2.013 -7.838 1.00 61.25 H new ATOM 0 HD2 LYS A 95 7.288 -1.576 -10.040 1.00 54.15 H new ATOM 0 HD3 LYS A 95 8.550 -0.424 -10.430 1.00 54.15 H new ATOM 0 HE2 LYS A 95 9.019 -2.597 -11.470 1.00 22.41 H new ATOM 0 HE3 LYS A 95 10.259 -2.198 -10.298 1.00 22.41 H new ATOM 0 HZ1 LYS A 95 9.303 -4.537 -10.300 1.00 12.11 H new ATOM 0 HZ2 LYS A 95 9.474 -3.756 -8.802 1.00 12.11 H new ATOM 0 HZ3 LYS A 95 7.946 -3.863 -9.535 1.00 12.11 H new ATOM 1622 N HIS A 96 8.465 2.549 -7.375 1.00 2.14 N ATOM 1623 CA HIS A 96 9.405 3.613 -7.670 1.00 2.00 C ATOM 1624 C HIS A 96 9.903 4.300 -6.398 1.00 64.43 C ATOM 1625 O HIS A 96 11.039 4.758 -6.374 1.00 42.32 O ATOM 1626 CB HIS A 96 8.765 4.625 -8.621 1.00 24.51 C ATOM 1627 CG HIS A 96 9.768 5.622 -9.146 1.00 14.41 C ATOM 1628 ND1 HIS A 96 9.844 6.960 -8.827 1.00 42.35 N ATOM 1629 CD2 HIS A 96 10.767 5.352 -10.043 1.00 62.44 C ATOM 1630 CE1 HIS A 96 10.850 7.492 -9.539 1.00 43.34 C ATOM 1631 NE2 HIS A 96 11.416 6.557 -10.314 1.00 62.31 N ATOM 0 H HIS A 96 7.530 2.696 -7.756 1.00 2.14 H new ATOM 0 HA HIS A 96 10.275 3.170 -8.155 1.00 2.00 H new ATOM 0 HB2 HIS A 96 8.307 4.097 -9.457 1.00 24.51 H new ATOM 0 HB3 HIS A 96 7.966 5.154 -8.102 1.00 24.51 H new ATOM 0 HD2 HIS A 96 11.008 4.386 -10.462 1.00 62.44 H new ATOM 0 HE1 HIS A 96 11.159 8.526 -9.494 1.00 43.34 H new ATOM 0 HE2 HIS A 96 12.178 6.699 -10.977 1.00 62.31 H new ATOM 1639 N ALA A 97 9.094 4.381 -5.336 1.00 74.32 N ATOM 1640 CA ALA A 97 9.519 4.958 -4.070 1.00 62.11 C ATOM 1641 C ALA A 97 10.727 4.201 -3.535 1.00 21.45 C ATOM 1642 O ALA A 97 11.765 4.830 -3.322 1.00 62.01 O ATOM 1643 CB ALA A 97 8.385 4.984 -3.042 1.00 12.11 C ATOM 0 H ALA A 97 8.130 4.048 -5.336 1.00 74.32 H new ATOM 0 HA ALA A 97 9.802 5.995 -4.251 1.00 62.11 H new ATOM 0 HB1 ALA A 97 8.747 5.423 -2.112 1.00 12.11 H new ATOM 0 HB2 ALA A 97 7.558 5.581 -3.427 1.00 12.11 H new ATOM 0 HB3 ALA A 97 8.041 3.967 -2.854 1.00 12.11 H new ATOM 1649 N ILE A 98 10.601 2.883 -3.338 1.00 4.01 N ATOM 1650 CA ILE A 98 11.729 2.115 -2.824 1.00 65.43 C ATOM 1651 C ILE A 98 12.834 2.039 -3.882 1.00 70.52 C ATOM 1652 O ILE A 98 13.971 2.348 -3.567 1.00 31.14 O ATOM 1653 CB ILE A 98 11.274 0.758 -2.244 1.00 34.23 C ATOM 1654 CG1 ILE A 98 12.369 0.135 -1.352 1.00 72.03 C ATOM 1655 CG2 ILE A 98 10.803 -0.253 -3.301 1.00 12.03 C ATOM 1656 CD1 ILE A 98 11.779 -0.804 -0.286 1.00 25.45 C ATOM 0 H ILE A 98 9.755 2.344 -3.522 1.00 4.01 H new ATOM 0 HA ILE A 98 12.172 2.628 -1.971 1.00 65.43 H new ATOM 0 HB ILE A 98 10.399 0.987 -1.635 1.00 34.23 H new ATOM 0 HG12 ILE A 98 13.072 -0.419 -1.974 1.00 72.03 H new ATOM 0 HG13 ILE A 98 12.934 0.929 -0.863 1.00 72.03 H new ATOM 0 HG21 ILE A 98 10.501 -1.178 -2.810 1.00 12.03 H new ATOM 0 HG22 ILE A 98 9.956 0.161 -3.848 1.00 12.03 H new ATOM 0 HG23 ILE A 98 11.617 -0.459 -3.995 1.00 12.03 H new ATOM 0 HD11 ILE A 98 12.585 -1.220 0.319 1.00 25.45 H new ATOM 0 HD12 ILE A 98 11.097 -0.245 0.354 1.00 25.45 H new ATOM 0 HD13 ILE A 98 11.237 -1.614 -0.774 1.00 25.45 H new ATOM 1668 N LYS A 99 12.513 1.764 -5.151 1.00 65.44 N ATOM 1669 CA LYS A 99 13.492 1.597 -6.230 1.00 2.32 C ATOM 1670 C LYS A 99 14.382 2.836 -6.408 1.00 44.52 C ATOM 1671 O LYS A 99 15.564 2.727 -6.719 1.00 12.43 O ATOM 1672 CB LYS A 99 12.771 1.221 -7.541 1.00 70.12 C ATOM 1673 CG LYS A 99 13.662 0.342 -8.420 1.00 70.31 C ATOM 1674 CD LYS A 99 13.214 0.253 -9.885 1.00 52.12 C ATOM 1675 CE LYS A 99 13.619 1.495 -10.691 1.00 11.33 C ATOM 1676 NZ LYS A 99 15.077 1.566 -10.933 1.00 60.11 N1+ ATOM 0 H LYS A 99 11.548 1.649 -5.462 1.00 65.44 H new ATOM 0 HA LYS A 99 14.161 0.782 -5.953 1.00 2.32 H new ATOM 0 HB2 LYS A 99 11.844 0.694 -7.313 1.00 70.12 H new ATOM 0 HB3 LYS A 99 12.498 2.126 -8.083 1.00 70.12 H new ATOM 0 HG2 LYS A 99 14.680 0.729 -8.387 1.00 70.31 H new ATOM 0 HG3 LYS A 99 13.689 -0.663 -7.999 1.00 70.31 H new ATOM 0 HD2 LYS A 99 13.651 -0.634 -10.344 1.00 52.12 H new ATOM 0 HD3 LYS A 99 12.131 0.133 -9.926 1.00 52.12 H new ATOM 0 HE2 LYS A 99 13.096 1.490 -11.647 1.00 11.33 H new ATOM 0 HE3 LYS A 99 13.299 2.390 -10.157 1.00 11.33 H new ATOM 0 HZ1 LYS A 99 15.354 2.555 -11.099 1.00 60.11 H new ATOM 0 HZ2 LYS A 99 15.585 1.199 -10.103 1.00 60.11 H new ATOM 0 HZ3 LYS A 99 15.319 0.994 -11.767 1.00 60.11 H new ATOM 1690 N LYS A 100 13.827 4.036 -6.214 1.00 42.13 N ATOM 1691 CA LYS A 100 14.572 5.292 -6.188 1.00 4.50 C ATOM 1692 C LYS A 100 15.635 5.223 -5.094 1.00 64.53 C ATOM 1693 O LYS A 100 16.788 5.567 -5.355 1.00 65.31 O ATOM 1694 CB LYS A 100 13.576 6.435 -5.943 1.00 23.44 C ATOM 1695 CG LYS A 100 14.178 7.844 -5.871 1.00 42.32 C ATOM 1696 CD LYS A 100 13.425 8.739 -4.878 1.00 74.15 C ATOM 1697 CE LYS A 100 11.916 8.813 -5.153 1.00 14.21 C ATOM 1698 NZ LYS A 100 11.236 9.631 -4.130 1.00 55.41 N1+ ATOM 0 H LYS A 100 12.825 4.161 -6.068 1.00 42.13 H new ATOM 0 HA LYS A 100 15.082 5.469 -7.135 1.00 4.50 H new ATOM 0 HB2 LYS A 100 12.832 6.419 -6.739 1.00 23.44 H new ATOM 0 HB3 LYS A 100 13.049 6.238 -5.010 1.00 23.44 H new ATOM 0 HG2 LYS A 100 15.225 7.776 -5.577 1.00 42.32 H new ATOM 0 HG3 LYS A 100 14.154 8.300 -6.861 1.00 42.32 H new ATOM 0 HD2 LYS A 100 13.585 8.364 -3.867 1.00 74.15 H new ATOM 0 HD3 LYS A 100 13.844 9.745 -4.915 1.00 74.15 H new ATOM 0 HE2 LYS A 100 11.742 9.240 -6.141 1.00 14.21 H new ATOM 0 HE3 LYS A 100 11.494 7.808 -5.161 1.00 14.21 H new ATOM 0 HZ1 LYS A 100 10.217 9.667 -4.336 1.00 55.41 H new ATOM 0 HZ2 LYS A 100 11.385 9.208 -3.192 1.00 55.41 H new ATOM 0 HZ3 LYS A 100 11.626 10.595 -4.141 1.00 55.41 H new ATOM 1712 N ARG A 101 15.247 4.821 -3.878 1.00 13.00 N ATOM 1713 CA ARG A 101 16.146 4.681 -2.741 1.00 21.24 C ATOM 1714 C ARG A 101 17.216 3.661 -3.070 1.00 32.44 C ATOM 1715 O ARG A 101 18.376 4.046 -3.194 1.00 41.23 O ATOM 1716 CB ARG A 101 15.390 4.305 -1.446 1.00 43.10 C ATOM 1717 CG ARG A 101 14.401 5.370 -0.950 1.00 13.42 C ATOM 1718 CD ARG A 101 15.114 6.623 -0.430 1.00 31.55 C ATOM 1719 NE ARG A 101 16.038 6.304 0.668 1.00 14.22 N ATOM 1720 CZ ARG A 101 15.720 5.985 1.926 1.00 32.10 C ATOM 1721 NH1 ARG A 101 14.463 6.041 2.354 1.00 32.33 N1+ ATOM 1722 NH2 ARG A 101 16.676 5.607 2.757 1.00 74.22 N ATOM 0 H ARG A 101 14.280 4.581 -3.659 1.00 13.00 H new ATOM 0 HA ARG A 101 16.616 5.646 -2.552 1.00 21.24 H new ATOM 0 HB2 ARG A 101 14.847 3.375 -1.615 1.00 43.10 H new ATOM 0 HB3 ARG A 101 16.119 4.110 -0.659 1.00 43.10 H new ATOM 0 HG2 ARG A 101 13.730 5.647 -1.763 1.00 13.42 H new ATOM 0 HG3 ARG A 101 13.784 4.949 -0.156 1.00 13.42 H new ATOM 0 HD2 ARG A 101 15.665 7.093 -1.245 1.00 31.55 H new ATOM 0 HD3 ARG A 101 14.375 7.346 -0.086 1.00 31.55 H new ATOM 0 HE ARG A 101 17.033 6.329 0.445 1.00 14.22 H new ATOM 0 HH11 ARG A 101 13.720 6.332 1.718 1.00 32.33 H new ATOM 0 HH12 ARG A 101 14.241 5.793 3.318 1.00 32.33 H new ATOM 0 HH21 ARG A 101 17.643 5.562 2.435 1.00 74.22 H new ATOM 0 HH22 ARG A 101 16.447 5.361 3.720 1.00 74.22 H new ATOM 1736 N GLN A 102 16.847 2.395 -3.160 1.00 34.41 N ATOM 1737 CA GLN A 102 17.730 1.247 -3.264 1.00 70.10 C ATOM 1738 C GLN A 102 16.936 0.082 -3.871 1.00 61.44 C ATOM 1739 O GLN A 102 15.770 0.245 -4.218 1.00 72.53 O ATOM 1740 CB GLN A 102 18.302 0.929 -1.862 1.00 2.55 C ATOM 1741 CG GLN A 102 19.791 1.300 -1.791 1.00 72.35 C ATOM 1742 CD GLN A 102 20.382 1.224 -0.385 1.00 41.42 C ATOM 1743 OE1 GLN A 102 20.458 2.229 0.317 1.00 50.15 O ATOM 1744 NE2 GLN A 102 20.847 0.063 0.047 1.00 20.33 N ATOM 0 H GLN A 102 15.863 2.125 -3.163 1.00 34.41 H new ATOM 0 HA GLN A 102 18.579 1.442 -3.919 1.00 70.10 H new ATOM 0 HB2 GLN A 102 17.747 1.480 -1.103 1.00 2.55 H new ATOM 0 HB3 GLN A 102 18.175 -0.131 -1.643 1.00 2.55 H new ATOM 0 HG2 GLN A 102 20.353 0.635 -2.447 1.00 72.35 H new ATOM 0 HG3 GLN A 102 19.922 2.312 -2.175 1.00 72.35 H new ATOM 0 HE21 GLN A 102 20.779 -0.765 -0.544 1.00 20.33 H new ATOM 0 HE22 GLN A 102 21.274 -0.004 0.971 1.00 20.33 H new ATOM 1753 N GLU A 103 17.549 -1.094 -4.006 1.00 12.25 N ATOM 1754 CA GLU A 103 17.036 -2.206 -4.801 1.00 25.11 C ATOM 1755 C GLU A 103 16.793 -1.783 -6.242 1.00 60.21 C ATOM 1756 O GLU A 103 15.668 -1.676 -6.734 1.00 74.11 O ATOM 1757 CB GLU A 103 15.889 -2.954 -4.114 1.00 24.43 C ATOM 1758 CG GLU A 103 16.427 -3.582 -2.826 1.00 2.13 C ATOM 1759 CD GLU A 103 15.488 -4.637 -2.250 1.00 32.20 C ATOM 1760 OE1 GLU A 103 15.663 -5.828 -2.605 1.00 72.01 O ATOM 1761 OE2 GLU A 103 14.656 -4.323 -1.375 1.00 44.44 O1- ATOM 0 H GLU A 103 18.439 -1.303 -3.553 1.00 12.25 H new ATOM 0 HA GLU A 103 17.809 -2.972 -4.864 1.00 25.11 H new ATOM 0 HB2 GLU A 103 15.070 -2.270 -3.890 1.00 24.43 H new ATOM 0 HB3 GLU A 103 15.489 -3.724 -4.774 1.00 24.43 H new ATOM 0 HG2 GLU A 103 17.398 -4.035 -3.025 1.00 2.13 H new ATOM 0 HG3 GLU A 103 16.587 -2.800 -2.084 1.00 2.13 H new ATOM 1768 N SER A 104 17.927 -1.619 -6.918 1.00 64.23 N ATOM 1769 CA SER A 104 18.114 -1.138 -8.277 1.00 2.21 C ATOM 1770 C SER A 104 17.913 0.381 -8.331 1.00 64.02 C ATOM 1771 O SER A 104 16.936 0.879 -8.885 1.00 13.35 O ATOM 1772 CB SER A 104 17.275 -1.918 -9.298 1.00 15.03 C ATOM 1773 OG SER A 104 17.295 -3.321 -9.045 1.00 22.12 O ATOM 0 H SER A 104 18.822 -1.842 -6.483 1.00 64.23 H new ATOM 0 HA SER A 104 19.144 -1.332 -8.576 1.00 2.21 H new ATOM 0 HB2 SER A 104 16.246 -1.559 -9.271 1.00 15.03 H new ATOM 0 HB3 SER A 104 17.654 -1.725 -10.302 1.00 15.03 H new ATOM 0 HG SER A 104 16.748 -3.782 -9.715 1.00 22.12 H new ATOM 1779 N GLN A 105 18.896 1.116 -7.789 1.00 14.34 N ATOM 1780 CA GLN A 105 18.961 2.581 -7.832 1.00 24.32 C ATOM 1781 C GLN A 105 18.767 3.146 -9.247 1.00 1.12 C ATOM 1782 O GLN A 105 18.354 4.300 -9.392 1.00 74.43 O ATOM 1783 CB GLN A 105 20.323 3.060 -7.288 1.00 3.52 C ATOM 1784 CG GLN A 105 20.448 2.911 -5.766 1.00 44.01 C ATOM 1785 CD GLN A 105 21.766 3.485 -5.242 1.00 2.34 C ATOM 1786 OE1 GLN A 105 22.785 2.799 -5.168 1.00 35.04 O ATOM 1787 NE2 GLN A 105 21.796 4.737 -4.826 1.00 3.01 N ATOM 0 H GLN A 105 19.685 0.696 -7.298 1.00 14.34 H new ATOM 0 HA GLN A 105 18.143 2.949 -7.213 1.00 24.32 H new ATOM 0 HB2 GLN A 105 21.120 2.493 -7.769 1.00 3.52 H new ATOM 0 HB3 GLN A 105 20.468 4.106 -7.558 1.00 3.52 H new ATOM 0 HG2 GLN A 105 19.613 3.418 -5.282 1.00 44.01 H new ATOM 0 HG3 GLN A 105 20.379 1.857 -5.498 1.00 44.01 H new ATOM 0 HE21 GLN A 105 20.957 5.314 -4.883 1.00 3.01 H new ATOM 0 HE22 GLN A 105 22.659 5.128 -4.447 1.00 3.01 H new ATOM 1796 N GLN A 106 19.067 2.357 -10.281 1.00 52.33 N ATOM 1797 CA GLN A 106 18.961 2.679 -11.695 1.00 11.21 C ATOM 1798 C GLN A 106 18.179 1.552 -12.377 1.00 2.01 C ATOM 1799 O GLN A 106 17.595 0.697 -11.705 1.00 54.13 O ATOM 1800 CB GLN A 106 20.361 2.856 -12.323 1.00 23.02 C ATOM 1801 CG GLN A 106 21.437 3.366 -11.362 1.00 32.41 C ATOM 1802 CD GLN A 106 22.640 3.919 -12.111 1.00 50.04 C ATOM 1803 OE1 GLN A 106 22.735 5.122 -12.336 1.00 40.21 O ATOM 1804 NE2 GLN A 106 23.569 3.078 -12.515 1.00 32.23 N ATOM 0 H GLN A 106 19.415 1.409 -10.135 1.00 52.33 H new ATOM 0 HA GLN A 106 18.435 3.624 -11.830 1.00 11.21 H new ATOM 0 HB2 GLN A 106 20.684 1.899 -12.732 1.00 23.02 H new ATOM 0 HB3 GLN A 106 20.283 3.550 -13.160 1.00 23.02 H new ATOM 0 HG2 GLN A 106 21.017 4.143 -10.723 1.00 32.41 H new ATOM 0 HG3 GLN A 106 21.756 2.554 -10.708 1.00 32.41 H new ATOM 0 HE21 GLN A 106 23.475 2.081 -12.320 1.00 32.23 H new ATOM 0 HE22 GLN A 106 24.383 3.423 -13.023 1.00 32.23 H new ATOM 1813 N ASN A 107 18.190 1.520 -13.709 1.00 32.25 N ATOM 1814 CA ASN A 107 17.585 0.473 -14.524 1.00 60.35 C ATOM 1815 C ASN A 107 16.062 0.596 -14.473 1.00 23.12 C ATOM 1816 O ASN A 107 15.391 0.147 -13.535 1.00 75.20 O ATOM 1817 CB ASN A 107 18.147 -0.912 -14.158 1.00 44.30 C ATOM 1818 CG ASN A 107 18.354 -1.758 -15.400 1.00 2.23 C ATOM 1819 OD1 ASN A 107 19.480 -1.831 -15.887 1.00 42.51 O ATOM 1820 ND2 ASN A 107 17.333 -2.383 -15.954 1.00 50.11 N ATOM 0 H ASN A 107 18.636 2.248 -14.267 1.00 32.25 H new ATOM 0 HA ASN A 107 17.858 0.601 -15.572 1.00 60.35 H new ATOM 0 HB2 ASN A 107 19.093 -0.797 -13.630 1.00 44.30 H new ATOM 0 HB3 ASN A 107 17.462 -1.419 -13.478 1.00 44.30 H new ATOM 0 HD21 ASN A 107 17.472 -2.937 -16.799 1.00 50.11 H new ATOM 0 HD22 ASN A 107 16.405 -2.312 -15.537 1.00 50.11 H new ATOM 1827 N SER A 108 15.540 1.363 -15.426 1.00 10.55 N ATOM 1828 CA SER A 108 14.193 1.912 -15.402 1.00 41.44 C ATOM 1829 C SER A 108 13.170 0.950 -15.962 1.00 63.20 C ATOM 1830 O SER A 108 12.026 0.992 -15.460 1.00 75.32 O ATOM 1831 CB SER A 108 14.192 3.206 -16.199 1.00 45.42 C ATOM 1832 OG SER A 108 14.850 4.200 -15.428 1.00 34.25 O ATOM 0 H SER A 108 16.062 1.626 -16.262 1.00 10.55 H new ATOM 0 HA SER A 108 13.910 2.097 -14.366 1.00 41.44 H new ATOM 0 HB2 SER A 108 14.701 3.066 -17.153 1.00 45.42 H new ATOM 0 HB3 SER A 108 13.171 3.513 -16.424 1.00 45.42 H new ATOM 0 HG SER A 108 14.862 5.045 -15.925 1.00 34.25 H new TER 1838 SER A 108