USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 933 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 53 THR OG1 : rot -34:sc= 1.15 USER MOD Set 1.2: A 55 SER OG : rot 180:sc= -0.425 USER MOD Set 2.1: A 43 GLN : amide:sc= -2.96! C(o=-3!,f=-3.3!) USER MOD Set 2.2: A 62 LYS NZ :NH3+ -170:sc= 0 (180deg=0) USER MOD Set 3.1: A 10 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0166) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0.144 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -177:sc= -0.747 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.0843 F(o=-1,f=-0.084) USER MOD Single : A 40 ASN : amide:sc= -0.9 K(o=-0.9,f=-2.2!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 44 ASN : amide:sc= -1.72 K(o=-1.7,f=-5.1!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 76 SER OG : rot -170:sc= -0.853 USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 84 HIS : no HD1:sc= -0.37 K(o=-0.37,f=-1.5) USER MOD Single : A 87 TYR OH : rot 150:sc= -1.43! USER MOD Single : A 88 MET CE :methyl 153:sc= -0.252 (180deg=-0.942) USER MOD Single : A 98 THR OG1 : rot 105:sc= -0.172 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 THR OG1 : rot 77:sc= 1.22 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.12) USER MOD Single : A 115 THR OG1 : rot 69:sc= 1.25 USER MOD Single : A 116 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -2.469 -3.055 -3.861 1.00 74.53 N ATOM 41 CA GLU A 4 -3.134 -3.182 -5.154 1.00 44.43 C ATOM 42 C GLU A 4 -3.698 -4.587 -5.341 1.00 72.00 C ATOM 43 O GLU A 4 -4.853 -4.758 -5.734 1.00 41.22 O ATOM 44 CB GLU A 4 -2.157 -2.857 -6.287 1.00 55.41 C ATOM 45 CG GLU A 4 -2.127 -1.385 -6.661 1.00 51.52 C ATOM 46 CD GLU A 4 -3.358 -0.954 -7.434 1.00 0.52 C ATOM 47 OE1 GLU A 4 -3.594 -1.505 -8.530 1.00 52.33 O1- ATOM 48 OE2 GLU A 4 -4.087 -0.065 -6.943 1.00 44.14 O ATOM 0 HA GLU A 4 -3.961 -2.472 -5.181 1.00 44.43 H new ATOM 0 HB2 GLU A 4 -1.155 -3.169 -5.992 1.00 55.41 H new ATOM 0 HB3 GLU A 4 -2.427 -3.441 -7.167 1.00 55.41 H new ATOM 0 HG2 GLU A 4 -2.043 -0.785 -5.755 1.00 51.52 H new ATOM 0 HG3 GLU A 4 -1.238 -1.184 -7.259 1.00 51.52 H new ATOM 55 N LEU A 5 -2.875 -5.590 -5.058 1.00 43.24 N ATOM 56 CA LEU A 5 -3.291 -6.982 -5.195 1.00 13.32 C ATOM 57 C LEU A 5 -4.576 -7.246 -4.415 1.00 63.44 C ATOM 58 O LEU A 5 -5.419 -8.038 -4.838 1.00 51.25 O ATOM 59 CB LEU A 5 -2.182 -7.917 -4.705 1.00 63.32 C ATOM 60 CG LEU A 5 -2.003 -8.007 -3.189 1.00 2.52 C ATOM 61 CD1 LEU A 5 -1.131 -9.199 -2.826 1.00 32.23 C ATOM 62 CD2 LEU A 5 -1.401 -6.719 -2.646 1.00 74.41 C ATOM 0 H LEU A 5 -1.916 -5.466 -4.732 1.00 43.24 H new ATOM 0 HA LEU A 5 -3.482 -7.176 -6.250 1.00 13.32 H new ATOM 0 HB2 LEU A 5 -2.382 -8.918 -5.087 1.00 63.32 H new ATOM 0 HB3 LEU A 5 -1.239 -7.591 -5.144 1.00 63.32 H new ATOM 0 HG LEU A 5 -2.983 -8.147 -2.733 1.00 2.52 H new ATOM 0 HD11 LEU A 5 -1.014 -9.248 -1.743 1.00 32.23 H new ATOM 0 HD12 LEU A 5 -1.601 -10.116 -3.182 1.00 32.23 H new ATOM 0 HD13 LEU A 5 -0.152 -9.089 -3.292 1.00 32.23 H new ATOM 0 HD21 LEU A 5 -1.281 -6.801 -1.566 1.00 74.41 H new ATOM 0 HD22 LEU A 5 -0.428 -6.549 -3.108 1.00 74.41 H new ATOM 0 HD23 LEU A 5 -2.062 -5.883 -2.875 1.00 74.41 H new ATOM 74 N LEU A 6 -4.719 -6.577 -3.277 1.00 10.52 N ATOM 75 CA LEU A 6 -5.902 -6.736 -2.439 1.00 13.21 C ATOM 76 C LEU A 6 -7.164 -6.334 -3.195 1.00 51.12 C ATOM 77 O LEU A 6 -8.185 -7.019 -3.130 1.00 73.12 O ATOM 78 CB LEU A 6 -5.768 -5.899 -1.167 1.00 44.03 C ATOM 79 CG LEU A 6 -4.640 -6.301 -0.214 1.00 1.52 C ATOM 80 CD1 LEU A 6 -4.438 -5.236 0.853 1.00 31.20 C ATOM 81 CD2 LEU A 6 -4.938 -7.649 0.425 1.00 22.10 C ATOM 0 H LEU A 6 -4.030 -5.919 -2.913 1.00 10.52 H new ATOM 0 HA LEU A 6 -5.984 -7.788 -2.167 1.00 13.21 H new ATOM 0 HB2 LEU A 6 -5.620 -4.858 -1.455 1.00 44.03 H new ATOM 0 HB3 LEU A 6 -6.711 -5.948 -0.623 1.00 44.03 H new ATOM 0 HG LEU A 6 -3.718 -6.389 -0.789 1.00 1.52 H new ATOM 0 HD11 LEU A 6 -3.632 -5.539 1.521 1.00 31.20 H new ATOM 0 HD12 LEU A 6 -4.179 -4.290 0.378 1.00 31.20 H new ATOM 0 HD13 LEU A 6 -5.358 -5.115 1.425 1.00 31.20 H new ATOM 0 HD21 LEU A 6 -4.126 -7.919 1.100 1.00 22.10 H new ATOM 0 HD22 LEU A 6 -5.870 -7.587 0.986 1.00 22.10 H new ATOM 0 HD23 LEU A 6 -5.032 -8.407 -0.352 1.00 22.10 H new ATOM 93 N ASP A 7 -7.085 -5.219 -3.916 1.00 4.52 N ATOM 94 CA ASP A 7 -8.220 -4.727 -4.688 1.00 25.12 C ATOM 95 C ASP A 7 -8.476 -5.614 -5.902 1.00 33.21 C ATOM 96 O ASP A 7 -9.613 -5.749 -6.354 1.00 24.02 O ATOM 97 CB ASP A 7 -7.970 -3.286 -5.137 1.00 34.32 C ATOM 98 CG ASP A 7 -9.248 -2.473 -5.208 1.00 10.52 C ATOM 99 OD1 ASP A 7 -9.682 -1.957 -4.157 1.00 34.22 O ATOM 100 OD2 ASP A 7 -9.815 -2.353 -6.314 1.00 22.32 O1- ATOM 0 H ASP A 7 -6.248 -4.640 -3.981 1.00 4.52 H new ATOM 0 HA ASP A 7 -9.103 -4.753 -4.049 1.00 25.12 H new ATOM 0 HB2 ASP A 7 -7.276 -2.808 -4.445 1.00 34.32 H new ATOM 0 HB3 ASP A 7 -7.491 -3.291 -6.116 1.00 34.32 H new ATOM 105 N ALA A 8 -7.413 -6.214 -6.426 1.00 74.43 N ATOM 106 CA ALA A 8 -7.523 -7.089 -7.586 1.00 44.45 C ATOM 107 C ALA A 8 -8.538 -8.200 -7.342 1.00 72.11 C ATOM 108 O ALA A 8 -9.295 -8.574 -8.239 1.00 71.43 O ATOM 109 CB ALA A 8 -6.165 -7.679 -7.935 1.00 72.11 C ATOM 0 H ALA A 8 -6.465 -6.110 -6.065 1.00 74.43 H new ATOM 0 HA ALA A 8 -7.873 -6.491 -8.428 1.00 44.45 H new ATOM 0 HB1 ALA A 8 -6.264 -8.330 -8.803 1.00 72.11 H new ATOM 0 HB2 ALA A 8 -5.466 -6.874 -8.163 1.00 72.11 H new ATOM 0 HB3 ALA A 8 -5.791 -8.256 -7.089 1.00 72.11 H new ATOM 115 N LEU A 9 -8.548 -8.727 -6.122 1.00 65.10 N ATOM 116 CA LEU A 9 -9.470 -9.798 -5.758 1.00 30.43 C ATOM 117 C LEU A 9 -10.899 -9.276 -5.657 1.00 2.51 C ATOM 118 O LEU A 9 -11.845 -9.933 -6.092 1.00 14.11 O ATOM 119 CB LEU A 9 -9.051 -10.430 -4.431 1.00 54.45 C ATOM 120 CG LEU A 9 -7.574 -10.806 -4.303 1.00 52.20 C ATOM 121 CD1 LEU A 9 -7.133 -10.749 -2.848 1.00 21.41 C ATOM 122 CD2 LEU A 9 -7.323 -12.190 -4.885 1.00 32.24 C ATOM 0 H LEU A 9 -7.928 -8.430 -5.368 1.00 65.10 H new ATOM 0 HA LEU A 9 -9.434 -10.555 -6.541 1.00 30.43 H new ATOM 0 HB2 LEU A 9 -9.300 -9.737 -3.627 1.00 54.45 H new ATOM 0 HB3 LEU A 9 -9.649 -11.328 -4.274 1.00 54.45 H new ATOM 0 HG LEU A 9 -6.985 -10.084 -4.868 1.00 52.20 H new ATOM 0 HD11 LEU A 9 -6.080 -11.020 -2.776 1.00 21.41 H new ATOM 0 HD12 LEU A 9 -7.275 -9.739 -2.464 1.00 21.41 H new ATOM 0 HD13 LEU A 9 -7.728 -11.448 -2.260 1.00 21.41 H new ATOM 0 HD21 LEU A 9 -6.267 -12.441 -4.785 1.00 32.24 H new ATOM 0 HD22 LEU A 9 -7.923 -12.925 -4.348 1.00 32.24 H new ATOM 0 HD23 LEU A 9 -7.599 -12.197 -5.939 1.00 32.24 H new ATOM 134 N THR A 10 -11.050 -8.087 -5.081 1.00 42.42 N ATOM 135 CA THR A 10 -12.363 -7.474 -4.925 1.00 45.22 C ATOM 136 C THR A 10 -13.027 -7.243 -6.277 1.00 33.22 C ATOM 137 O THR A 10 -14.228 -7.466 -6.435 1.00 71.53 O ATOM 138 CB THR A 10 -12.271 -6.132 -4.173 1.00 10.42 C ATOM 139 OG1 THR A 10 -11.565 -6.308 -2.940 1.00 72.25 O ATOM 140 CG2 THR A 10 -13.658 -5.572 -3.895 1.00 62.04 C ATOM 0 H THR A 10 -10.278 -7.529 -4.715 1.00 42.42 H new ATOM 0 HA THR A 10 -12.968 -8.168 -4.341 1.00 45.22 H new ATOM 0 HB THR A 10 -11.730 -5.425 -4.802 1.00 10.42 H new ATOM 0 HG1 THR A 10 -11.510 -5.450 -2.469 1.00 72.25 H new ATOM 0 HG21 THR A 10 -13.568 -4.625 -3.363 1.00 62.04 H new ATOM 0 HG22 THR A 10 -14.181 -5.411 -4.838 1.00 62.04 H new ATOM 0 HG23 THR A 10 -14.220 -6.279 -3.284 1.00 62.04 H new ATOM 148 N ILE A 11 -12.240 -6.793 -7.249 1.00 32.10 N ATOM 149 CA ILE A 11 -12.753 -6.534 -8.587 1.00 21.23 C ATOM 150 C ILE A 11 -13.469 -7.757 -9.149 1.00 62.33 C ATOM 151 O ILE A 11 -14.468 -7.635 -9.858 1.00 65.32 O ATOM 152 CB ILE A 11 -11.625 -6.125 -9.553 1.00 71.24 C ATOM 153 CG1 ILE A 11 -10.932 -4.855 -9.053 1.00 53.43 C ATOM 154 CG2 ILE A 11 -12.178 -5.916 -10.955 1.00 64.41 C ATOM 155 CD1 ILE A 11 -9.481 -4.755 -9.469 1.00 14.01 C ATOM 0 H ILE A 11 -11.245 -6.601 -7.134 1.00 32.10 H new ATOM 0 HA ILE A 11 -13.462 -5.711 -8.498 1.00 21.23 H new ATOM 0 HB ILE A 11 -10.889 -6.928 -9.590 1.00 71.24 H new ATOM 0 HG12 ILE A 11 -11.470 -3.985 -9.429 1.00 53.43 H new ATOM 0 HG13 ILE A 11 -10.993 -4.822 -7.965 1.00 53.43 H new ATOM 0 HG21 ILE A 11 -11.369 -5.627 -11.626 1.00 64.41 H new ATOM 0 HG22 ILE A 11 -12.630 -6.842 -11.309 1.00 64.41 H new ATOM 0 HG23 ILE A 11 -12.931 -5.128 -10.935 1.00 64.41 H new ATOM 0 HD11 ILE A 11 -9.054 -3.831 -9.080 1.00 14.01 H new ATOM 0 HD12 ILE A 11 -8.929 -5.606 -9.070 1.00 14.01 H new ATOM 0 HD13 ILE A 11 -9.413 -4.756 -10.557 1.00 14.01 H new ATOM 167 N LEU A 12 -12.952 -8.938 -8.827 1.00 75.15 N ATOM 168 CA LEU A 12 -13.542 -10.186 -9.298 1.00 35.45 C ATOM 169 C LEU A 12 -14.844 -10.483 -8.563 1.00 52.41 C ATOM 170 O LEU A 12 -15.735 -11.139 -9.102 1.00 23.30 O ATOM 171 CB LEU A 12 -12.559 -11.343 -9.105 1.00 52.11 C ATOM 172 CG LEU A 12 -11.089 -11.026 -9.380 1.00 0.22 C ATOM 173 CD1 LEU A 12 -10.238 -12.279 -9.236 1.00 0.53 C ATOM 174 CD2 LEU A 12 -10.923 -10.423 -10.767 1.00 60.44 C ATOM 0 H LEU A 12 -12.125 -9.057 -8.242 1.00 75.15 H new ATOM 0 HA LEU A 12 -13.762 -10.077 -10.360 1.00 35.45 H new ATOM 0 HB2 LEU A 12 -12.647 -11.701 -8.079 1.00 52.11 H new ATOM 0 HB3 LEU A 12 -12.861 -12.163 -9.756 1.00 52.11 H new ATOM 0 HG LEU A 12 -10.751 -10.295 -8.646 1.00 0.22 H new ATOM 0 HD11 LEU A 12 -9.195 -12.035 -9.435 1.00 0.53 H new ATOM 0 HD12 LEU A 12 -10.332 -12.668 -8.222 1.00 0.53 H new ATOM 0 HD13 LEU A 12 -10.577 -13.032 -9.947 1.00 0.53 H new ATOM 0 HD21 LEU A 12 -9.870 -10.204 -10.945 1.00 60.44 H new ATOM 0 HD22 LEU A 12 -11.278 -11.131 -11.516 1.00 60.44 H new ATOM 0 HD23 LEU A 12 -11.502 -9.502 -10.835 1.00 60.44 H new ATOM 186 N GLU A 13 -14.948 -9.994 -7.331 1.00 2.20 N ATOM 187 CA GLU A 13 -16.143 -10.207 -6.523 1.00 73.44 C ATOM 188 C GLU A 13 -17.380 -9.654 -7.226 1.00 24.32 C ATOM 189 O GLU A 13 -18.492 -10.149 -7.034 1.00 32.15 O ATOM 190 CB GLU A 13 -15.984 -9.548 -5.152 1.00 53.14 C ATOM 191 CG GLU A 13 -17.104 -9.882 -4.182 1.00 32.32 C ATOM 192 CD GLU A 13 -17.179 -11.362 -3.864 1.00 22.03 C ATOM 193 OE1 GLU A 13 -17.659 -12.131 -4.723 1.00 34.44 O1- ATOM 194 OE2 GLU A 13 -16.757 -11.753 -2.755 1.00 5.24 O ATOM 0 H GLU A 13 -14.219 -9.448 -6.871 1.00 2.20 H new ATOM 0 HA GLU A 13 -16.272 -11.281 -6.388 1.00 73.44 H new ATOM 0 HB2 GLU A 13 -15.034 -9.858 -4.717 1.00 53.14 H new ATOM 0 HB3 GLU A 13 -15.937 -8.467 -5.281 1.00 53.14 H new ATOM 0 HG2 GLU A 13 -16.958 -9.323 -3.258 1.00 32.32 H new ATOM 0 HG3 GLU A 13 -18.055 -9.557 -4.605 1.00 32.32 H new ATOM 201 N LYS A 14 -17.179 -8.622 -8.039 1.00 41.41 N ATOM 202 CA LYS A 14 -18.275 -7.999 -8.771 1.00 53.15 C ATOM 203 C LYS A 14 -19.066 -9.041 -9.557 1.00 32.03 C ATOM 204 O LYS A 14 -20.261 -8.876 -9.794 1.00 33.02 O ATOM 205 CB LYS A 14 -17.738 -6.928 -9.722 1.00 52.04 C ATOM 206 CG LYS A 14 -17.567 -5.567 -9.070 1.00 23.23 C ATOM 207 CD LYS A 14 -16.571 -5.620 -7.923 1.00 74.34 C ATOM 208 CE LYS A 14 -16.324 -4.238 -7.335 1.00 0.54 C ATOM 209 NZ LYS A 14 -15.454 -3.408 -8.215 1.00 44.11 N1+ ATOM 0 H LYS A 14 -16.266 -8.199 -8.207 1.00 41.41 H new ATOM 0 HA LYS A 14 -18.942 -7.531 -8.047 1.00 53.15 H new ATOM 0 HB2 LYS A 14 -16.777 -7.255 -10.119 1.00 52.04 H new ATOM 0 HB3 LYS A 14 -18.417 -6.833 -10.569 1.00 52.04 H new ATOM 0 HG2 LYS A 14 -17.229 -4.846 -9.814 1.00 23.23 H new ATOM 0 HG3 LYS A 14 -18.530 -5.216 -8.701 1.00 23.23 H new ATOM 0 HD2 LYS A 14 -16.945 -6.286 -7.145 1.00 74.34 H new ATOM 0 HD3 LYS A 14 -15.629 -6.040 -8.276 1.00 74.34 H new ATOM 0 HE2 LYS A 14 -17.277 -3.731 -7.185 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -15.859 -4.338 -6.355 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -14.943 -2.709 -7.639 1.00 44.11 H new ATOM 0 HZ2 LYS A 14 -14.770 -4.020 -8.704 1.00 44.11 H new ATOM 0 HZ3 LYS A 14 -16.041 -2.914 -8.917 1.00 44.11 H new ATOM 223 N GLU A 15 -18.389 -10.113 -9.958 1.00 31.13 N ATOM 224 CA GLU A 15 -19.028 -11.181 -10.717 1.00 10.21 C ATOM 225 C GLU A 15 -19.948 -12.008 -9.822 1.00 74.31 C ATOM 226 O GLU A 15 -20.126 -11.702 -8.644 1.00 23.34 O ATOM 227 CB GLU A 15 -17.974 -12.085 -11.357 1.00 45.25 C ATOM 228 CG GLU A 15 -17.221 -11.426 -12.501 1.00 55.15 C ATOM 229 CD GLU A 15 -18.147 -10.776 -13.511 1.00 24.20 C ATOM 230 OE1 GLU A 15 -18.484 -9.588 -13.325 1.00 1.53 O ATOM 231 OE2 GLU A 15 -18.533 -11.454 -14.486 1.00 50.25 O1- ATOM 0 H GLU A 15 -17.398 -10.264 -9.770 1.00 31.13 H new ATOM 0 HA GLU A 15 -19.628 -10.724 -11.504 1.00 10.21 H new ATOM 0 HB2 GLU A 15 -17.260 -12.394 -10.593 1.00 45.25 H new ATOM 0 HB3 GLU A 15 -18.458 -12.990 -11.725 1.00 45.25 H new ATOM 0 HG2 GLU A 15 -16.543 -10.674 -12.099 1.00 55.15 H new ATOM 0 HG3 GLU A 15 -16.607 -12.173 -13.005 1.00 55.15 H new ATOM 238 N LYS A 16 -20.531 -13.057 -10.392 1.00 54.02 N ATOM 239 CA LYS A 16 -21.432 -13.930 -9.650 1.00 15.32 C ATOM 240 C LYS A 16 -20.957 -15.379 -9.711 1.00 60.10 C ATOM 241 O LYS A 16 -20.699 -15.912 -10.788 1.00 20.10 O ATOM 242 CB LYS A 16 -22.853 -13.823 -10.206 1.00 20.41 C ATOM 243 CG LYS A 16 -23.863 -14.681 -9.463 1.00 32.52 C ATOM 244 CD LYS A 16 -24.034 -14.221 -8.026 1.00 20.11 C ATOM 245 CE LYS A 16 -25.158 -14.974 -7.330 1.00 73.12 C ATOM 246 NZ LYS A 16 -25.104 -14.809 -5.851 1.00 30.23 N1+ ATOM 0 H LYS A 16 -20.395 -13.323 -11.367 1.00 54.02 H new ATOM 0 HA LYS A 16 -21.432 -13.610 -8.608 1.00 15.32 H new ATOM 0 HB2 LYS A 16 -23.173 -12.782 -10.165 1.00 20.41 H new ATOM 0 HB3 LYS A 16 -22.846 -14.113 -11.257 1.00 20.41 H new ATOM 0 HG2 LYS A 16 -24.824 -14.640 -9.976 1.00 32.52 H new ATOM 0 HG3 LYS A 16 -23.538 -15.721 -9.477 1.00 32.52 H new ATOM 0 HD2 LYS A 16 -23.102 -14.371 -7.481 1.00 20.11 H new ATOM 0 HD3 LYS A 16 -24.245 -13.152 -8.008 1.00 20.11 H new ATOM 0 HE2 LYS A 16 -26.119 -14.616 -7.700 1.00 73.12 H new ATOM 0 HE3 LYS A 16 -25.095 -16.033 -7.580 1.00 73.12 H new ATOM 0 HZ1 LYS A 16 -25.886 -15.337 -5.414 1.00 30.23 H new ATOM 0 HZ2 LYS A 16 -24.198 -15.174 -5.494 1.00 30.23 H new ATOM 0 HZ3 LYS A 16 -25.190 -13.801 -5.611 1.00 30.23 H new ATOM 260 N GLY A 17 -20.848 -16.011 -8.546 1.00 53.14 N ATOM 261 CA GLY A 17 -20.408 -17.392 -8.489 1.00 1.24 C ATOM 262 C GLY A 17 -18.902 -17.526 -8.601 1.00 24.31 C ATOM 263 O GLY A 17 -18.386 -18.614 -8.856 1.00 30.33 O ATOM 0 H GLY A 17 -21.057 -15.590 -7.641 1.00 53.14 H new ATOM 0 HA2 GLY A 17 -20.741 -17.838 -7.551 1.00 1.24 H new ATOM 0 HA3 GLY A 17 -20.881 -17.954 -9.294 1.00 1.24 H new ATOM 267 N ILE A 18 -18.197 -16.417 -8.410 1.00 51.44 N ATOM 268 CA ILE A 18 -16.741 -16.415 -8.492 1.00 32.50 C ATOM 269 C ILE A 18 -16.117 -15.964 -7.175 1.00 3.32 C ATOM 270 O ILE A 18 -15.645 -14.833 -7.056 1.00 25.41 O ATOM 271 CB ILE A 18 -16.241 -15.498 -9.624 1.00 45.15 C ATOM 272 CG1 ILE A 18 -17.046 -15.744 -10.901 1.00 2.33 C ATOM 273 CG2 ILE A 18 -14.758 -15.726 -9.875 1.00 34.32 C ATOM 274 CD1 ILE A 18 -16.609 -14.883 -12.066 1.00 3.12 C ATOM 0 H ILE A 18 -18.609 -15.509 -8.198 1.00 51.44 H new ATOM 0 HA ILE A 18 -16.436 -17.440 -8.705 1.00 32.50 H new ATOM 0 HB ILE A 18 -16.383 -14.461 -9.321 1.00 45.15 H new ATOM 0 HG12 ILE A 18 -16.956 -16.793 -11.181 1.00 2.33 H new ATOM 0 HG13 ILE A 18 -18.101 -15.558 -10.698 1.00 2.33 H new ATOM 0 HG21 ILE A 18 -14.420 -15.071 -10.678 1.00 34.32 H new ATOM 0 HG22 ILE A 18 -14.197 -15.506 -8.967 1.00 34.32 H new ATOM 0 HG23 ILE A 18 -14.593 -16.765 -10.161 1.00 34.32 H new ATOM 0 HD11 ILE A 18 -17.223 -15.111 -12.937 1.00 3.12 H new ATOM 0 HD12 ILE A 18 -16.726 -13.831 -11.805 1.00 3.12 H new ATOM 0 HD13 ILE A 18 -15.563 -15.086 -12.296 1.00 3.12 H new ATOM 286 N SER A 19 -16.118 -16.856 -6.189 1.00 72.20 N ATOM 287 CA SER A 19 -15.555 -16.549 -4.881 1.00 5.03 C ATOM 288 C SER A 19 -14.077 -16.186 -4.997 1.00 10.11 C ATOM 289 O SER A 19 -13.303 -16.885 -5.649 1.00 55.41 O ATOM 290 CB SER A 19 -15.725 -17.741 -3.937 1.00 70.31 C ATOM 291 OG SER A 19 -16.670 -18.664 -4.447 1.00 12.11 O ATOM 0 H SER A 19 -16.503 -17.797 -6.272 1.00 72.20 H new ATOM 0 HA SER A 19 -16.092 -15.692 -4.474 1.00 5.03 H new ATOM 0 HB2 SER A 19 -14.765 -18.238 -3.797 1.00 70.31 H new ATOM 0 HB3 SER A 19 -16.047 -17.390 -2.957 1.00 70.31 H new ATOM 0 HG SER A 19 -16.759 -19.417 -3.826 1.00 12.11 H new ATOM 297 N LYS A 20 -13.693 -15.085 -4.359 1.00 21.45 N ATOM 298 CA LYS A 20 -12.310 -14.626 -4.389 1.00 74.43 C ATOM 299 C LYS A 20 -11.410 -15.558 -3.581 1.00 44.01 C ATOM 300 O LYS A 20 -10.196 -15.584 -3.777 1.00 62.25 O ATOM 301 CB LYS A 20 -12.211 -13.202 -3.838 1.00 25.14 C ATOM 302 CG LYS A 20 -12.277 -13.129 -2.322 1.00 31.04 C ATOM 303 CD LYS A 20 -12.502 -11.705 -1.841 1.00 45.33 C ATOM 304 CE LYS A 20 -11.378 -10.783 -2.287 1.00 73.32 C ATOM 305 NZ LYS A 20 -11.390 -9.493 -1.543 1.00 24.23 N1+ ATOM 0 H LYS A 20 -14.321 -14.494 -3.815 1.00 21.45 H new ATOM 0 HA LYS A 20 -11.974 -14.632 -5.426 1.00 74.43 H new ATOM 0 HB2 LYS A 20 -11.275 -12.756 -4.174 1.00 25.14 H new ATOM 0 HB3 LYS A 20 -13.019 -12.602 -4.258 1.00 25.14 H new ATOM 0 HG2 LYS A 20 -13.083 -13.768 -1.961 1.00 31.04 H new ATOM 0 HG3 LYS A 20 -11.350 -13.515 -1.898 1.00 31.04 H new ATOM 0 HD2 LYS A 20 -13.452 -11.335 -2.227 1.00 45.33 H new ATOM 0 HD3 LYS A 20 -12.573 -11.694 -0.753 1.00 45.33 H new ATOM 0 HE2 LYS A 20 -10.420 -11.280 -2.137 1.00 73.32 H new ATOM 0 HE3 LYS A 20 -11.471 -10.587 -3.355 1.00 73.32 H new ATOM 0 HZ1 LYS A 20 -10.609 -8.893 -1.876 1.00 24.23 H new ATOM 0 HZ2 LYS A 20 -12.294 -9.006 -1.706 1.00 24.23 H new ATOM 0 HZ3 LYS A 20 -11.275 -9.678 -0.526 1.00 24.23 H new ATOM 319 N GLU A 21 -12.016 -16.319 -2.676 1.00 64.52 N ATOM 320 CA GLU A 21 -11.269 -17.253 -1.841 1.00 11.33 C ATOM 321 C GLU A 21 -10.410 -18.180 -2.695 1.00 34.03 C ATOM 322 O GLU A 21 -9.302 -18.550 -2.306 1.00 42.53 O ATOM 323 CB GLU A 21 -12.226 -18.078 -0.977 1.00 34.13 C ATOM 324 CG GLU A 21 -12.995 -17.251 0.040 1.00 74.01 C ATOM 325 CD GLU A 21 -13.586 -18.096 1.151 1.00 20.11 C ATOM 326 OE1 GLU A 21 -12.941 -19.086 1.552 1.00 42.41 O1- ATOM 327 OE2 GLU A 21 -14.696 -17.764 1.620 1.00 12.41 O ATOM 0 H GLU A 21 -13.021 -16.308 -2.502 1.00 64.52 H new ATOM 0 HA GLU A 21 -10.612 -16.674 -1.192 1.00 11.33 H new ATOM 0 HB2 GLU A 21 -12.935 -18.592 -1.625 1.00 34.13 H new ATOM 0 HB3 GLU A 21 -11.658 -18.846 -0.453 1.00 34.13 H new ATOM 0 HG2 GLU A 21 -12.330 -16.503 0.472 1.00 74.01 H new ATOM 0 HG3 GLU A 21 -13.796 -16.712 -0.466 1.00 74.01 H new ATOM 334 N ILE A 22 -10.930 -18.552 -3.860 1.00 11.12 N ATOM 335 CA ILE A 22 -10.211 -19.436 -4.769 1.00 52.11 C ATOM 336 C ILE A 22 -9.136 -18.675 -5.539 1.00 5.14 C ATOM 337 O ILE A 22 -8.151 -19.260 -5.990 1.00 62.02 O ATOM 338 CB ILE A 22 -11.166 -20.109 -5.773 1.00 23.14 C ATOM 339 CG1 ILE A 22 -12.261 -20.878 -5.031 1.00 11.11 C ATOM 340 CG2 ILE A 22 -10.394 -21.036 -6.699 1.00 74.20 C ATOM 341 CD1 ILE A 22 -13.626 -20.233 -5.130 1.00 40.42 C ATOM 0 H ILE A 22 -11.846 -18.255 -4.196 1.00 11.12 H new ATOM 0 HA ILE A 22 -9.741 -20.205 -4.156 1.00 52.11 H new ATOM 0 HB ILE A 22 -11.638 -19.335 -6.378 1.00 23.14 H new ATOM 0 HG12 ILE A 22 -12.317 -21.891 -5.430 1.00 11.11 H new ATOM 0 HG13 ILE A 22 -11.984 -20.965 -3.980 1.00 11.11 H new ATOM 0 HG21 ILE A 22 -11.083 -21.504 -7.402 1.00 74.20 H new ATOM 0 HG22 ILE A 22 -9.648 -20.462 -7.249 1.00 74.20 H new ATOM 0 HG23 ILE A 22 -9.897 -21.807 -6.110 1.00 74.20 H new ATOM 0 HD11 ILE A 22 -14.352 -20.832 -4.581 1.00 40.42 H new ATOM 0 HD12 ILE A 22 -13.586 -19.230 -4.704 1.00 40.42 H new ATOM 0 HD13 ILE A 22 -13.924 -20.171 -6.177 1.00 40.42 H new ATOM 353 N ILE A 23 -9.333 -17.369 -5.685 1.00 13.43 N ATOM 354 CA ILE A 23 -8.379 -16.528 -6.397 1.00 72.34 C ATOM 355 C ILE A 23 -7.104 -16.332 -5.584 1.00 55.40 C ATOM 356 O ILE A 23 -5.996 -16.436 -6.111 1.00 31.34 O ATOM 357 CB ILE A 23 -8.981 -15.150 -6.728 1.00 24.53 C ATOM 358 CG1 ILE A 23 -10.344 -15.314 -7.403 1.00 1.43 C ATOM 359 CG2 ILE A 23 -8.035 -14.358 -7.618 1.00 41.41 C ATOM 360 CD1 ILE A 23 -10.274 -16.001 -8.748 1.00 34.01 C ATOM 0 H ILE A 23 -10.144 -16.871 -5.320 1.00 13.43 H new ATOM 0 HA ILE A 23 -8.138 -17.043 -7.327 1.00 72.34 H new ATOM 0 HB ILE A 23 -9.121 -14.598 -5.798 1.00 24.53 H new ATOM 0 HG12 ILE A 23 -10.999 -15.886 -6.746 1.00 1.43 H new ATOM 0 HG13 ILE A 23 -10.798 -14.331 -7.529 1.00 1.43 H new ATOM 0 HG21 ILE A 23 -8.475 -13.386 -7.843 1.00 41.41 H new ATOM 0 HG22 ILE A 23 -7.085 -14.216 -7.103 1.00 41.41 H new ATOM 0 HG23 ILE A 23 -7.866 -14.904 -8.546 1.00 41.41 H new ATOM 0 HD11 ILE A 23 -11.277 -16.083 -9.167 1.00 34.01 H new ATOM 0 HD12 ILE A 23 -9.645 -15.419 -9.422 1.00 34.01 H new ATOM 0 HD13 ILE A 23 -9.849 -16.997 -8.626 1.00 34.01 H new ATOM 372 N ILE A 24 -7.268 -16.049 -4.295 1.00 51.31 N ATOM 373 CA ILE A 24 -6.131 -15.842 -3.408 1.00 74.21 C ATOM 374 C ILE A 24 -5.151 -17.007 -3.489 1.00 44.54 C ATOM 375 O ILE A 24 -3.937 -16.814 -3.426 1.00 32.23 O ATOM 376 CB ILE A 24 -6.582 -15.666 -1.946 1.00 32.43 C ATOM 377 CG1 ILE A 24 -7.466 -14.424 -1.808 1.00 11.23 C ATOM 378 CG2 ILE A 24 -5.374 -15.565 -1.028 1.00 1.24 C ATOM 379 CD1 ILE A 24 -8.813 -14.707 -1.182 1.00 31.23 C ATOM 0 H ILE A 24 -8.178 -15.958 -3.843 1.00 51.31 H new ATOM 0 HA ILE A 24 -5.635 -14.930 -3.739 1.00 74.21 H new ATOM 0 HB ILE A 24 -7.165 -16.539 -1.654 1.00 32.43 H new ATOM 0 HG12 ILE A 24 -6.943 -13.681 -1.205 1.00 11.23 H new ATOM 0 HG13 ILE A 24 -7.618 -13.985 -2.794 1.00 11.23 H new ATOM 0 HG21 ILE A 24 -5.709 -15.441 0.002 1.00 1.24 H new ATOM 0 HG22 ILE A 24 -4.779 -16.474 -1.109 1.00 1.24 H new ATOM 0 HG23 ILE A 24 -4.767 -14.707 -1.318 1.00 1.24 H new ATOM 0 HD11 ILE A 24 -9.385 -13.782 -1.116 1.00 31.23 H new ATOM 0 HD12 ILE A 24 -9.356 -15.426 -1.796 1.00 31.23 H new ATOM 0 HD13 ILE A 24 -8.671 -15.118 -0.182 1.00 31.23 H new ATOM 391 N GLU A 25 -5.687 -18.215 -3.630 1.00 72.53 N ATOM 392 CA GLU A 25 -4.858 -19.412 -3.719 1.00 43.13 C ATOM 393 C GLU A 25 -4.108 -19.455 -5.048 1.00 2.50 C ATOM 394 O GLU A 25 -3.024 -20.031 -5.142 1.00 34.42 O ATOM 395 CB GLU A 25 -5.719 -20.668 -3.567 1.00 73.04 C ATOM 396 CG GLU A 25 -6.512 -20.708 -2.272 1.00 44.41 C ATOM 397 CD GLU A 25 -6.863 -22.121 -1.846 1.00 73.01 C ATOM 398 OE1 GLU A 25 -5.990 -23.007 -1.953 1.00 32.20 O ATOM 399 OE2 GLU A 25 -8.012 -22.339 -1.405 1.00 21.12 O1- ATOM 0 H GLU A 25 -6.690 -18.391 -3.685 1.00 72.53 H new ATOM 0 HA GLU A 25 -4.129 -19.380 -2.909 1.00 43.13 H new ATOM 0 HB2 GLU A 25 -6.409 -20.729 -4.408 1.00 73.04 H new ATOM 0 HB3 GLU A 25 -5.077 -21.547 -3.617 1.00 73.04 H new ATOM 0 HG2 GLU A 25 -5.935 -20.227 -1.482 1.00 44.41 H new ATOM 0 HG3 GLU A 25 -7.429 -20.131 -2.394 1.00 44.41 H new ATOM 406 N ALA A 26 -4.693 -18.843 -6.072 1.00 1.41 N ATOM 407 CA ALA A 26 -4.081 -18.810 -7.393 1.00 44.13 C ATOM 408 C ALA A 26 -2.866 -17.888 -7.413 1.00 13.13 C ATOM 409 O ALA A 26 -1.833 -18.219 -7.997 1.00 24.00 O ATOM 410 CB ALA A 26 -5.097 -18.368 -8.436 1.00 14.40 C ATOM 0 H ALA A 26 -5.591 -18.363 -6.011 1.00 1.41 H new ATOM 0 HA ALA A 26 -3.744 -19.818 -7.634 1.00 44.13 H new ATOM 0 HB1 ALA A 26 -4.625 -18.348 -9.418 1.00 14.40 H new ATOM 0 HB2 ALA A 26 -5.933 -19.068 -8.449 1.00 14.40 H new ATOM 0 HB3 ALA A 26 -5.462 -17.371 -8.189 1.00 14.40 H new ATOM 416 N ILE A 27 -2.997 -16.732 -6.772 1.00 44.10 N ATOM 417 CA ILE A 27 -1.909 -15.762 -6.716 1.00 13.45 C ATOM 418 C ILE A 27 -0.637 -16.396 -6.164 1.00 13.44 C ATOM 419 O ILE A 27 0.416 -16.352 -6.799 1.00 54.42 O ATOM 420 CB ILE A 27 -2.282 -14.548 -5.847 1.00 20.00 C ATOM 421 CG1 ILE A 27 -3.205 -13.604 -6.620 1.00 25.54 C ATOM 422 CG2 ILE A 27 -1.027 -13.815 -5.392 1.00 13.51 C ATOM 423 CD1 ILE A 27 -4.675 -13.880 -6.399 1.00 74.33 C ATOM 0 H ILE A 27 -3.845 -16.444 -6.284 1.00 44.10 H new ATOM 0 HA ILE A 27 -1.732 -15.426 -7.738 1.00 13.45 H new ATOM 0 HB ILE A 27 -2.813 -14.903 -4.963 1.00 20.00 H new ATOM 0 HG12 ILE A 27 -2.989 -12.577 -6.327 1.00 25.54 H new ATOM 0 HG13 ILE A 27 -2.985 -13.685 -7.684 1.00 25.54 H new ATOM 0 HG21 ILE A 27 -1.308 -12.959 -4.778 1.00 13.51 H new ATOM 0 HG22 ILE A 27 -0.403 -14.491 -4.808 1.00 13.51 H new ATOM 0 HG23 ILE A 27 -0.471 -13.470 -6.264 1.00 13.51 H new ATOM 0 HD11 ILE A 27 -5.269 -13.173 -6.978 1.00 74.33 H new ATOM 0 HD12 ILE A 27 -4.907 -14.896 -6.719 1.00 74.33 H new ATOM 0 HD13 ILE A 27 -4.911 -13.771 -5.340 1.00 74.33 H new ATOM 435 N GLU A 28 -0.742 -16.988 -4.978 1.00 54.21 N ATOM 436 CA GLU A 28 0.401 -17.632 -4.342 1.00 54.51 C ATOM 437 C GLU A 28 0.927 -18.779 -5.200 1.00 43.41 C ATOM 438 O GLU A 28 2.136 -18.944 -5.361 1.00 43.02 O ATOM 439 CB GLU A 28 0.015 -18.153 -2.956 1.00 64.12 C ATOM 440 CG GLU A 28 -1.310 -18.899 -2.934 1.00 40.22 C ATOM 441 CD GLU A 28 -1.582 -19.566 -1.599 1.00 51.43 C ATOM 442 OE1 GLU A 28 -1.836 -18.839 -0.615 1.00 75.44 O1- ATOM 443 OE2 GLU A 28 -1.539 -20.812 -1.538 1.00 63.03 O ATOM 0 H GLU A 28 -1.607 -17.035 -4.439 1.00 54.21 H new ATOM 0 HA GLU A 28 1.191 -16.889 -4.236 1.00 54.51 H new ATOM 0 HB2 GLU A 28 0.801 -18.815 -2.594 1.00 64.12 H new ATOM 0 HB3 GLU A 28 -0.039 -17.313 -2.263 1.00 64.12 H new ATOM 0 HG2 GLU A 28 -2.118 -18.203 -3.160 1.00 40.22 H new ATOM 0 HG3 GLU A 28 -1.311 -19.654 -3.720 1.00 40.22 H new ATOM 450 N ALA A 29 0.008 -19.568 -5.749 1.00 30.04 N ATOM 451 CA ALA A 29 0.378 -20.699 -6.591 1.00 12.54 C ATOM 452 C ALA A 29 1.201 -20.242 -7.791 1.00 13.03 C ATOM 453 O ALA A 29 2.036 -20.988 -8.303 1.00 61.31 O ATOM 454 CB ALA A 29 -0.866 -21.442 -7.054 1.00 31.13 C ATOM 0 H ALA A 29 -0.997 -19.444 -5.626 1.00 30.04 H new ATOM 0 HA ALA A 29 0.992 -21.377 -5.998 1.00 12.54 H new ATOM 0 HB1 ALA A 29 -0.574 -22.284 -7.682 1.00 31.13 H new ATOM 0 HB2 ALA A 29 -1.415 -21.809 -6.187 1.00 31.13 H new ATOM 0 HB3 ALA A 29 -1.502 -20.766 -7.626 1.00 31.13 H new ATOM 460 N ALA A 30 0.958 -19.014 -8.238 1.00 53.23 N ATOM 461 CA ALA A 30 1.677 -18.458 -9.377 1.00 23.45 C ATOM 462 C ALA A 30 3.087 -18.035 -8.983 1.00 61.02 C ATOM 463 O ALA A 30 4.056 -18.337 -9.681 1.00 51.44 O ATOM 464 CB ALA A 30 0.912 -17.279 -9.960 1.00 32.41 C ATOM 0 H ALA A 30 0.268 -18.385 -7.828 1.00 53.23 H new ATOM 0 HA ALA A 30 1.759 -19.235 -10.137 1.00 23.45 H new ATOM 0 HB1 ALA A 30 1.461 -16.874 -10.810 1.00 32.41 H new ATOM 0 HB2 ALA A 30 -0.073 -17.611 -10.289 1.00 32.41 H new ATOM 0 HB3 ALA A 30 0.799 -16.507 -9.199 1.00 32.41 H new ATOM 470 N LEU A 31 3.196 -17.332 -7.860 1.00 5.35 N ATOM 471 CA LEU A 31 4.489 -16.865 -7.373 1.00 1.23 C ATOM 472 C LEU A 31 5.438 -18.037 -7.138 1.00 21.11 C ATOM 473 O LEU A 31 6.569 -18.040 -7.623 1.00 34.51 O ATOM 474 CB LEU A 31 4.312 -16.070 -6.078 1.00 45.33 C ATOM 475 CG LEU A 31 3.935 -14.598 -6.242 1.00 33.31 C ATOM 476 CD1 LEU A 31 2.432 -14.411 -6.093 1.00 53.12 C ATOM 477 CD2 LEU A 31 4.683 -13.740 -5.232 1.00 43.31 C ATOM 0 H LEU A 31 2.405 -17.073 -7.270 1.00 5.35 H new ATOM 0 HA LEU A 31 4.923 -16.216 -8.134 1.00 1.23 H new ATOM 0 HB2 LEU A 31 3.543 -16.557 -5.478 1.00 45.33 H new ATOM 0 HB3 LEU A 31 5.241 -16.126 -5.511 1.00 45.33 H new ATOM 0 HG LEU A 31 4.223 -14.279 -7.244 1.00 33.31 H new ATOM 0 HD11 LEU A 31 2.183 -13.357 -6.213 1.00 53.12 H new ATOM 0 HD12 LEU A 31 1.915 -14.995 -6.855 1.00 53.12 H new ATOM 0 HD13 LEU A 31 2.120 -14.747 -5.104 1.00 53.12 H new ATOM 0 HD21 LEU A 31 4.402 -12.695 -5.364 1.00 43.31 H new ATOM 0 HD22 LEU A 31 4.427 -14.060 -4.222 1.00 43.31 H new ATOM 0 HD23 LEU A 31 5.757 -13.849 -5.386 1.00 43.31 H new ATOM 489 N ILE A 32 4.968 -19.030 -6.391 1.00 24.45 N ATOM 490 CA ILE A 32 5.773 -20.209 -6.095 1.00 71.03 C ATOM 491 C ILE A 32 6.288 -20.860 -7.374 1.00 24.23 C ATOM 492 O ILE A 32 7.438 -21.291 -7.444 1.00 63.05 O ATOM 493 CB ILE A 32 4.972 -21.250 -5.289 1.00 60.21 C ATOM 494 CG1 ILE A 32 5.820 -22.501 -5.047 1.00 22.33 C ATOM 495 CG2 ILE A 32 3.686 -21.607 -6.017 1.00 41.15 C ATOM 496 CD1 ILE A 32 5.441 -23.252 -3.789 1.00 4.22 C ATOM 0 H ILE A 32 4.035 -19.042 -5.980 1.00 24.45 H new ATOM 0 HA ILE A 32 6.619 -19.870 -5.497 1.00 71.03 H new ATOM 0 HB ILE A 32 4.711 -20.819 -4.323 1.00 60.21 H new ATOM 0 HG12 ILE A 32 5.721 -23.169 -5.903 1.00 22.33 H new ATOM 0 HG13 ILE A 32 6.870 -22.213 -4.987 1.00 22.33 H new ATOM 0 HG21 ILE A 32 3.131 -22.343 -5.436 1.00 41.15 H new ATOM 0 HG22 ILE A 32 3.078 -20.711 -6.143 1.00 41.15 H new ATOM 0 HG23 ILE A 32 3.925 -22.023 -6.996 1.00 41.15 H new ATOM 0 HD11 ILE A 32 6.082 -24.127 -3.680 1.00 4.22 H new ATOM 0 HD12 ILE A 32 5.567 -22.600 -2.924 1.00 4.22 H new ATOM 0 HD13 ILE A 32 4.401 -23.571 -3.855 1.00 4.22 H new ATOM 508 N SER A 33 5.427 -20.926 -8.385 1.00 23.51 N ATOM 509 CA SER A 33 5.793 -21.526 -9.663 1.00 62.33 C ATOM 510 C SER A 33 6.871 -20.702 -10.361 1.00 1.44 C ATOM 511 O SER A 33 7.781 -21.250 -10.983 1.00 2.10 O ATOM 512 CB SER A 33 4.563 -21.646 -10.565 1.00 3.21 C ATOM 513 OG SER A 33 4.932 -21.647 -11.934 1.00 24.42 O ATOM 0 H SER A 33 4.471 -20.571 -8.344 1.00 23.51 H new ATOM 0 HA SER A 33 6.191 -22.522 -9.468 1.00 62.33 H new ATOM 0 HB2 SER A 33 4.024 -22.564 -10.330 1.00 3.21 H new ATOM 0 HB3 SER A 33 3.882 -20.817 -10.369 1.00 3.21 H new ATOM 0 HG SER A 33 4.128 -21.726 -12.489 1.00 24.42 H new ATOM 519 N ALA A 34 6.760 -19.382 -10.253 1.00 22.53 N ATOM 520 CA ALA A 34 7.726 -18.481 -10.871 1.00 1.34 C ATOM 521 C ALA A 34 9.110 -18.653 -10.255 1.00 52.14 C ATOM 522 O ALA A 34 10.109 -18.756 -10.967 1.00 62.24 O ATOM 523 CB ALA A 34 7.262 -17.038 -10.737 1.00 23.24 C ATOM 0 H ALA A 34 6.011 -18.913 -9.744 1.00 22.53 H new ATOM 0 HA ALA A 34 7.795 -18.733 -11.929 1.00 1.34 H new ATOM 0 HB1 ALA A 34 7.992 -16.376 -11.203 1.00 23.24 H new ATOM 0 HB2 ALA A 34 6.298 -16.919 -11.231 1.00 23.24 H new ATOM 0 HB3 ALA A 34 7.163 -16.784 -9.682 1.00 23.24 H new ATOM 529 N TYR A 35 9.162 -18.684 -8.927 1.00 60.44 N ATOM 530 CA TYR A 35 10.424 -18.841 -8.215 1.00 42.44 C ATOM 531 C TYR A 35 10.936 -20.274 -8.320 1.00 40.45 C ATOM 532 O TYR A 35 12.138 -20.525 -8.235 1.00 13.24 O ATOM 533 CB TYR A 35 10.256 -18.454 -6.744 1.00 14.41 C ATOM 534 CG TYR A 35 11.468 -18.763 -5.895 1.00 55.14 C ATOM 535 CD1 TYR A 35 11.633 -20.015 -5.315 1.00 72.52 C ATOM 536 CD2 TYR A 35 12.446 -17.803 -5.671 1.00 31.21 C ATOM 537 CE1 TYR A 35 12.738 -20.302 -4.537 1.00 4.45 C ATOM 538 CE2 TYR A 35 13.555 -18.081 -4.896 1.00 13.02 C ATOM 539 CZ TYR A 35 13.696 -19.332 -4.331 1.00 1.20 C ATOM 540 OH TYR A 35 14.800 -19.612 -3.557 1.00 72.42 O ATOM 0 H TYR A 35 8.344 -18.602 -8.323 1.00 60.44 H new ATOM 0 HA TYR A 35 11.156 -18.179 -8.677 1.00 42.44 H new ATOM 0 HB2 TYR A 35 10.040 -17.388 -6.680 1.00 14.41 H new ATOM 0 HB3 TYR A 35 9.393 -18.979 -6.335 1.00 14.41 H new ATOM 0 HD1 TYR A 35 10.884 -20.777 -5.475 1.00 72.52 H new ATOM 0 HD2 TYR A 35 12.338 -16.822 -6.110 1.00 31.21 H new ATOM 0 HE1 TYR A 35 12.851 -21.280 -4.093 1.00 4.45 H new ATOM 0 HE2 TYR A 35 14.307 -17.324 -4.733 1.00 13.02 H new ATOM 0 HH TYR A 35 15.353 -18.808 -3.473 1.00 72.42 H new ATOM 550 N LYS A 36 10.014 -21.211 -8.508 1.00 5.13 N ATOM 551 CA LYS A 36 10.368 -22.621 -8.629 1.00 11.15 C ATOM 552 C LYS A 36 11.251 -22.858 -9.849 1.00 32.14 C ATOM 553 O LYS A 36 12.138 -23.711 -9.829 1.00 62.43 O ATOM 554 CB LYS A 36 9.104 -23.479 -8.727 1.00 64.34 C ATOM 555 CG LYS A 36 9.384 -24.971 -8.769 1.00 20.30 C ATOM 556 CD LYS A 36 8.259 -25.768 -8.129 1.00 1.42 C ATOM 557 CE LYS A 36 8.290 -25.657 -6.612 1.00 45.53 C ATOM 558 NZ LYS A 36 8.894 -26.863 -5.981 1.00 21.13 N1+ ATOM 0 H LYS A 36 9.015 -21.020 -8.580 1.00 5.13 H new ATOM 0 HA LYS A 36 10.926 -22.907 -7.737 1.00 11.15 H new ATOM 0 HB2 LYS A 36 8.461 -23.262 -7.874 1.00 64.34 H new ATOM 0 HB3 LYS A 36 8.551 -23.196 -9.623 1.00 64.34 H new ATOM 0 HG2 LYS A 36 9.513 -25.289 -9.804 1.00 20.30 H new ATOM 0 HG3 LYS A 36 10.320 -25.181 -8.252 1.00 20.30 H new ATOM 0 HD2 LYS A 36 7.300 -25.409 -8.502 1.00 1.42 H new ATOM 0 HD3 LYS A 36 8.342 -26.815 -8.420 1.00 1.42 H new ATOM 0 HE2 LYS A 36 8.859 -24.773 -6.324 1.00 45.53 H new ATOM 0 HE3 LYS A 36 7.276 -25.520 -6.237 1.00 45.53 H new ATOM 0 HZ1 LYS A 36 8.897 -26.749 -4.947 1.00 21.13 H new ATOM 0 HZ2 LYS A 36 8.337 -27.704 -6.235 1.00 21.13 H new ATOM 0 HZ3 LYS A 36 9.870 -26.980 -6.319 1.00 21.13 H new ATOM 572 N ARG A 37 11.005 -22.096 -10.910 1.00 74.25 N ATOM 573 CA ARG A 37 11.779 -22.223 -12.138 1.00 53.51 C ATOM 574 C ARG A 37 13.268 -22.031 -11.866 1.00 13.30 C ATOM 575 O ARG A 37 14.114 -22.503 -12.625 1.00 74.35 O ATOM 576 CB ARG A 37 11.304 -21.202 -13.174 1.00 25.33 C ATOM 577 CG ARG A 37 9.900 -21.467 -13.693 1.00 1.44 C ATOM 578 CD ARG A 37 9.918 -22.384 -14.905 1.00 4.13 C ATOM 579 NE ARG A 37 8.651 -23.087 -15.079 1.00 22.22 N ATOM 580 CZ ARG A 37 8.287 -24.138 -14.354 1.00 71.43 C ATOM 581 NH1 ARG A 37 9.092 -24.607 -13.409 1.00 64.15 N1+ ATOM 582 NH2 ARG A 37 7.117 -24.724 -14.572 1.00 43.33 N ATOM 0 H ARG A 37 10.275 -21.384 -10.943 1.00 74.25 H new ATOM 0 HA ARG A 37 11.626 -23.228 -12.531 1.00 53.51 H new ATOM 0 HB2 ARG A 37 11.336 -20.206 -12.731 1.00 25.33 H new ATOM 0 HB3 ARG A 37 11.998 -21.200 -14.014 1.00 25.33 H new ATOM 0 HG2 ARG A 37 9.298 -21.917 -12.904 1.00 1.44 H new ATOM 0 HG3 ARG A 37 9.424 -20.523 -13.957 1.00 1.44 H new ATOM 0 HD2 ARG A 37 10.133 -21.799 -15.799 1.00 4.13 H new ATOM 0 HD3 ARG A 37 10.724 -23.110 -14.798 1.00 4.13 H new ATOM 0 HE ARG A 37 8.009 -22.752 -15.798 1.00 22.22 H new ATOM 0 HH11 ARG A 37 9.993 -24.160 -13.238 1.00 64.15 H new ATOM 0 HH12 ARG A 37 8.810 -25.415 -12.853 1.00 64.15 H new ATOM 0 HH21 ARG A 37 6.495 -24.367 -15.298 1.00 43.33 H new ATOM 0 HH22 ARG A 37 6.839 -25.531 -14.014 1.00 43.33 H new ATOM 596 N ASN A 38 13.580 -21.337 -10.777 1.00 64.14 N ATOM 597 CA ASN A 38 14.967 -21.082 -10.404 1.00 2.44 C ATOM 598 C ASN A 38 15.634 -22.354 -9.890 1.00 62.25 C ATOM 599 O ASN A 38 16.740 -22.699 -10.304 1.00 62.41 O ATOM 600 CB ASN A 38 15.037 -19.988 -9.337 1.00 14.03 C ATOM 601 CG ASN A 38 14.581 -18.640 -9.859 1.00 30.51 C ATOM 602 OD1 ASN A 38 13.270 -18.445 -9.931 1.00 23.41 O flip ATOM 603 ND2 ASN A 38 15.400 -17.783 -10.196 1.00 43.51 N flip ATOM 0 H ASN A 38 12.892 -20.941 -10.137 1.00 64.14 H new ATOM 0 HA ASN A 38 15.501 -20.747 -11.293 1.00 2.44 H new ATOM 0 HB2 ASN A 38 14.417 -20.274 -8.487 1.00 14.03 H new ATOM 0 HB3 ASN A 38 16.061 -19.906 -8.972 1.00 14.03 H new ATOM 0 HD21 ASN A 38 16.399 -17.976 -10.124 1.00 43.51 H new ATOM 0 HD22 ASN A 38 15.079 -16.881 -10.547 1.00 43.51 H new ATOM 610 N PHE A 39 14.953 -23.047 -8.983 1.00 74.50 N ATOM 611 CA PHE A 39 15.480 -24.281 -8.410 1.00 13.22 C ATOM 612 C PHE A 39 14.353 -25.269 -8.119 1.00 13.23 C ATOM 613 O PHE A 39 14.032 -25.535 -6.961 1.00 12.23 O ATOM 614 CB PHE A 39 16.257 -23.982 -7.127 1.00 22.33 C ATOM 615 CG PHE A 39 17.496 -23.164 -7.354 1.00 63.55 C ATOM 616 CD1 PHE A 39 18.635 -23.742 -7.890 1.00 54.30 C ATOM 617 CD2 PHE A 39 17.521 -21.817 -7.030 1.00 1.45 C ATOM 618 CE1 PHE A 39 19.777 -22.991 -8.098 1.00 20.44 C ATOM 619 CE2 PHE A 39 18.659 -21.061 -7.237 1.00 73.20 C ATOM 620 CZ PHE A 39 19.788 -21.649 -7.772 1.00 41.30 C ATOM 0 H PHE A 39 14.036 -22.776 -8.629 1.00 74.50 H new ATOM 0 HA PHE A 39 16.156 -24.731 -9.137 1.00 13.22 H new ATOM 0 HB2 PHE A 39 15.605 -23.454 -6.431 1.00 22.33 H new ATOM 0 HB3 PHE A 39 16.534 -24.923 -6.652 1.00 22.33 H new ATOM 0 HD1 PHE A 39 18.631 -24.791 -8.148 1.00 54.30 H new ATOM 0 HD2 PHE A 39 16.641 -21.353 -6.611 1.00 1.45 H new ATOM 0 HE1 PHE A 39 20.660 -23.453 -8.515 1.00 20.44 H new ATOM 0 HE2 PHE A 39 18.665 -20.012 -6.981 1.00 73.20 H new ATOM 0 HZ PHE A 39 20.679 -21.060 -7.935 1.00 41.30 H new ATOM 630 N ASN A 40 13.758 -25.808 -9.177 1.00 5.11 N ATOM 631 CA ASN A 40 12.668 -26.766 -9.036 1.00 31.44 C ATOM 632 C ASN A 40 13.197 -28.139 -8.636 1.00 13.21 C ATOM 633 O ASN A 40 12.754 -28.723 -7.648 1.00 10.21 O ATOM 634 CB ASN A 40 11.880 -26.872 -10.344 1.00 21.11 C ATOM 635 CG ASN A 40 12.785 -27.015 -11.553 1.00 35.33 C ATOM 636 OD1 ASN A 40 13.328 -26.031 -12.055 1.00 34.12 O ATOM 637 ND2 ASN A 40 12.949 -28.245 -12.026 1.00 33.42 N ATOM 0 H ASN A 40 14.012 -25.598 -10.142 1.00 5.11 H new ATOM 0 HA ASN A 40 12.005 -26.408 -8.248 1.00 31.44 H new ATOM 0 HB2 ASN A 40 11.209 -27.729 -10.292 1.00 21.11 H new ATOM 0 HB3 ASN A 40 11.257 -25.986 -10.463 1.00 21.11 H new ATOM 0 HD21 ASN A 40 13.545 -28.404 -12.838 1.00 33.42 H new ATOM 0 HD22 ASN A 40 12.479 -29.031 -11.577 1.00 33.42 H new ATOM 644 N GLN A 41 14.150 -28.649 -9.411 1.00 42.41 N ATOM 645 CA GLN A 41 14.741 -29.954 -9.137 1.00 32.21 C ATOM 646 C GLN A 41 15.945 -29.823 -8.210 1.00 10.23 C ATOM 647 O GLN A 41 16.691 -30.780 -8.007 1.00 2.54 O ATOM 648 CB GLN A 41 15.160 -30.632 -10.443 1.00 24.30 C ATOM 649 CG GLN A 41 16.208 -29.853 -11.223 1.00 23.03 C ATOM 650 CD GLN A 41 16.703 -30.604 -12.444 1.00 60.23 C ATOM 651 OE1 GLN A 41 17.108 -31.763 -12.353 1.00 25.31 O ATOM 652 NE2 GLN A 41 16.671 -29.946 -13.597 1.00 53.52 N ATOM 0 H GLN A 41 14.529 -28.178 -10.233 1.00 42.41 H new ATOM 0 HA GLN A 41 13.989 -30.568 -8.642 1.00 32.21 H new ATOM 0 HB2 GLN A 41 15.549 -31.625 -10.219 1.00 24.30 H new ATOM 0 HB3 GLN A 41 14.279 -30.769 -11.070 1.00 24.30 H new ATOM 0 HG2 GLN A 41 15.787 -28.897 -11.535 1.00 23.03 H new ATOM 0 HG3 GLN A 41 17.052 -29.632 -10.570 1.00 23.03 H new ATOM 0 HE21 GLN A 41 16.327 -28.986 -13.627 1.00 53.52 H new ATOM 0 HE22 GLN A 41 16.990 -30.401 -14.453 1.00 53.52 H new ATOM 661 N ALA A 42 16.127 -28.631 -7.650 1.00 53.10 N ATOM 662 CA ALA A 42 17.239 -28.376 -6.743 1.00 45.11 C ATOM 663 C ALA A 42 16.768 -28.343 -5.293 1.00 30.22 C ATOM 664 O ALA A 42 17.482 -28.779 -4.390 1.00 53.42 O ATOM 665 CB ALA A 42 17.927 -27.068 -7.106 1.00 52.01 C ATOM 0 H ALA A 42 15.519 -27.828 -7.809 1.00 53.10 H new ATOM 0 HA ALA A 42 17.955 -29.192 -6.847 1.00 45.11 H new ATOM 0 HB1 ALA A 42 18.756 -26.890 -6.420 1.00 52.01 H new ATOM 0 HB2 ALA A 42 18.306 -27.127 -8.126 1.00 52.01 H new ATOM 0 HB3 ALA A 42 17.212 -26.248 -7.032 1.00 52.01 H new ATOM 671 N GLN A 43 15.564 -27.824 -5.078 1.00 44.33 N ATOM 672 CA GLN A 43 14.999 -27.734 -3.737 1.00 63.21 C ATOM 673 C GLN A 43 13.557 -27.240 -3.785 1.00 62.24 C ATOM 674 O GLN A 43 13.247 -26.268 -4.471 1.00 74.55 O ATOM 675 CB GLN A 43 15.842 -26.801 -2.867 1.00 72.12 C ATOM 676 CG GLN A 43 15.510 -26.883 -1.386 1.00 43.55 C ATOM 677 CD GLN A 43 15.691 -25.558 -0.673 1.00 74.41 C ATOM 678 OE1 GLN A 43 16.170 -24.586 -1.257 1.00 53.02 O ATOM 679 NE2 GLN A 43 15.308 -25.511 0.597 1.00 50.05 N ATOM 0 H GLN A 43 14.961 -27.459 -5.815 1.00 44.33 H new ATOM 0 HA GLN A 43 15.007 -28.732 -3.300 1.00 63.21 H new ATOM 0 HB2 GLN A 43 16.896 -27.040 -3.008 1.00 72.12 H new ATOM 0 HB3 GLN A 43 15.700 -25.775 -3.206 1.00 72.12 H new ATOM 0 HG2 GLN A 43 14.480 -27.218 -1.267 1.00 43.55 H new ATOM 0 HG3 GLN A 43 16.145 -27.634 -0.916 1.00 43.55 H new ATOM 0 HE21 GLN A 43 14.916 -26.341 1.042 1.00 50.05 H new ATOM 0 HE22 GLN A 43 15.406 -24.645 1.127 1.00 50.05 H new ATOM 688 N ASN A 44 12.680 -27.918 -3.052 1.00 61.24 N ATOM 689 CA ASN A 44 11.270 -27.548 -3.012 1.00 5.03 C ATOM 690 C ASN A 44 11.085 -26.178 -2.367 1.00 45.14 C ATOM 691 O ASN A 44 12.056 -25.515 -2.003 1.00 15.42 O ATOM 692 CB ASN A 44 10.467 -28.599 -2.243 1.00 2.54 C ATOM 693 CG ASN A 44 10.506 -28.373 -0.744 1.00 33.50 C ATOM 694 OD1 ASN A 44 9.480 -28.447 -0.066 1.00 53.44 O ATOM 695 ND2 ASN A 44 11.693 -28.096 -0.218 1.00 2.43 N ATOM 0 H ASN A 44 12.921 -28.726 -2.478 1.00 61.24 H new ATOM 0 HA ASN A 44 10.904 -27.499 -4.037 1.00 5.03 H new ATOM 0 HB2 ASN A 44 9.432 -28.582 -2.583 1.00 2.54 H new ATOM 0 HB3 ASN A 44 10.861 -29.590 -2.469 1.00 2.54 H new ATOM 0 HD21 ASN A 44 11.781 -27.935 0.785 1.00 2.43 H new ATOM 0 HD22 ASN A 44 12.517 -28.045 -0.817 1.00 2.43 H new ATOM 702 N VAL A 45 9.831 -25.760 -2.228 1.00 44.30 N ATOM 703 CA VAL A 45 9.518 -24.469 -1.625 1.00 71.11 C ATOM 704 C VAL A 45 8.013 -24.294 -1.452 1.00 24.13 C ATOM 705 O VAL A 45 7.221 -24.886 -2.186 1.00 24.45 O ATOM 706 CB VAL A 45 10.065 -23.306 -2.473 1.00 60.41 C ATOM 707 CG1 VAL A 45 9.299 -23.193 -3.782 1.00 23.33 C ATOM 708 CG2 VAL A 45 9.998 -22.002 -1.694 1.00 21.34 C ATOM 0 H VAL A 45 9.015 -26.296 -2.524 1.00 44.30 H new ATOM 0 HA VAL A 45 9.998 -24.452 -0.646 1.00 71.11 H new ATOM 0 HB VAL A 45 11.110 -23.510 -2.707 1.00 60.41 H new ATOM 0 HG11 VAL A 45 9.700 -22.366 -4.368 1.00 23.33 H new ATOM 0 HG12 VAL A 45 9.403 -24.120 -4.345 1.00 23.33 H new ATOM 0 HG13 VAL A 45 8.245 -23.012 -3.572 1.00 23.33 H new ATOM 0 HG21 VAL A 45 10.389 -21.191 -2.308 1.00 21.34 H new ATOM 0 HG22 VAL A 45 8.962 -21.790 -1.428 1.00 21.34 H new ATOM 0 HG23 VAL A 45 10.595 -22.089 -0.786 1.00 21.34 H new ATOM 718 N ARG A 46 7.626 -23.476 -0.478 1.00 33.25 N ATOM 719 CA ARG A 46 6.216 -23.223 -0.209 1.00 13.25 C ATOM 720 C ARG A 46 5.973 -21.743 0.071 1.00 35.22 C ATOM 721 O ARG A 46 6.383 -21.220 1.107 1.00 45.34 O ATOM 722 CB ARG A 46 5.744 -24.062 0.980 1.00 60.23 C ATOM 723 CG ARG A 46 6.209 -25.508 0.929 1.00 34.50 C ATOM 724 CD ARG A 46 5.209 -26.439 1.595 1.00 54.54 C ATOM 725 NE ARG A 46 5.310 -27.804 1.087 1.00 74.02 N ATOM 726 CZ ARG A 46 4.788 -28.200 -0.068 1.00 73.42 C ATOM 727 NH1 ARG A 46 4.133 -27.337 -0.833 1.00 53.11 N1+ ATOM 728 NH2 ARG A 46 4.922 -29.460 -0.462 1.00 42.44 N ATOM 0 H ARG A 46 8.269 -22.978 0.137 1.00 33.25 H new ATOM 0 HA ARG A 46 5.646 -23.506 -1.094 1.00 13.25 H new ATOM 0 HB2 ARG A 46 6.105 -23.606 1.902 1.00 60.23 H new ATOM 0 HB3 ARG A 46 4.655 -24.041 1.019 1.00 60.23 H new ATOM 0 HG2 ARG A 46 6.352 -25.809 -0.109 1.00 34.50 H new ATOM 0 HG3 ARG A 46 7.176 -25.598 1.423 1.00 34.50 H new ATOM 0 HD2 ARG A 46 5.376 -26.440 2.672 1.00 54.54 H new ATOM 0 HD3 ARG A 46 4.199 -26.064 1.429 1.00 54.54 H new ATOM 0 HE ARG A 46 5.809 -28.492 1.651 1.00 74.02 H new ATOM 0 HH11 ARG A 46 4.030 -26.367 -0.534 1.00 53.11 H new ATOM 0 HH12 ARG A 46 3.733 -27.643 -1.720 1.00 53.11 H new ATOM 0 HH21 ARG A 46 5.427 -30.126 0.123 1.00 42.44 H new ATOM 0 HH22 ARG A 46 4.520 -29.762 -1.350 1.00 42.44 H new ATOM 742 N VAL A 47 5.304 -21.072 -0.862 1.00 13.15 N ATOM 743 CA VAL A 47 5.006 -19.651 -0.716 1.00 40.55 C ATOM 744 C VAL A 47 3.748 -19.438 0.117 1.00 21.11 C ATOM 745 O VAL A 47 2.793 -20.210 0.029 1.00 40.40 O ATOM 746 CB VAL A 47 4.823 -18.973 -2.087 1.00 43.43 C ATOM 747 CG1 VAL A 47 4.458 -17.507 -1.913 1.00 73.12 C ATOM 748 CG2 VAL A 47 6.083 -19.121 -2.927 1.00 3.11 C ATOM 0 H VAL A 47 4.958 -21.489 -1.726 1.00 13.15 H new ATOM 0 HA VAL A 47 5.857 -19.198 -0.206 1.00 40.55 H new ATOM 0 HB VAL A 47 4.005 -19.467 -2.611 1.00 43.43 H new ATOM 0 HG11 VAL A 47 4.333 -17.045 -2.892 1.00 73.12 H new ATOM 0 HG12 VAL A 47 3.526 -17.428 -1.353 1.00 73.12 H new ATOM 0 HG13 VAL A 47 5.253 -16.996 -1.369 1.00 73.12 H new ATOM 0 HG21 VAL A 47 5.936 -18.636 -3.892 1.00 3.11 H new ATOM 0 HG22 VAL A 47 6.922 -18.654 -2.410 1.00 3.11 H new ATOM 0 HG23 VAL A 47 6.295 -20.179 -3.081 1.00 3.11 H new ATOM 758 N ASP A 48 3.753 -18.383 0.925 1.00 31.11 N ATOM 759 CA ASP A 48 2.611 -18.065 1.775 1.00 72.44 C ATOM 760 C ASP A 48 2.112 -16.648 1.506 1.00 70.23 C ATOM 761 O ASP A 48 2.867 -15.682 1.617 1.00 21.40 O ATOM 762 CB ASP A 48 2.986 -18.216 3.250 1.00 33.25 C ATOM 763 CG ASP A 48 1.911 -17.687 4.178 1.00 71.03 C ATOM 764 OD1 ASP A 48 1.952 -16.483 4.507 1.00 32.52 O1- ATOM 765 OD2 ASP A 48 1.030 -18.477 4.577 1.00 23.12 O ATOM 0 H ASP A 48 4.535 -17.734 1.009 1.00 31.11 H new ATOM 0 HA ASP A 48 1.809 -18.765 1.540 1.00 72.44 H new ATOM 0 HB2 ASP A 48 3.166 -19.268 3.470 1.00 33.25 H new ATOM 0 HB3 ASP A 48 3.919 -17.686 3.441 1.00 33.25 H new ATOM 770 N LEU A 49 0.837 -16.533 1.153 1.00 24.33 N ATOM 771 CA LEU A 49 0.236 -15.234 0.867 1.00 74.30 C ATOM 772 C LEU A 49 -0.544 -14.719 2.072 1.00 41.23 C ATOM 773 O LEU A 49 -1.147 -15.496 2.812 1.00 13.24 O ATOM 774 CB LEU A 49 -0.686 -15.333 -0.349 1.00 25.14 C ATOM 775 CG LEU A 49 -1.419 -14.049 -0.740 1.00 4.23 C ATOM 776 CD1 LEU A 49 -1.649 -14.003 -2.243 1.00 52.13 C ATOM 777 CD2 LEU A 49 -2.740 -13.940 0.006 1.00 21.20 C ATOM 0 H LEU A 49 0.199 -17.323 1.058 1.00 24.33 H new ATOM 0 HA LEU A 49 1.038 -14.529 0.649 1.00 74.30 H new ATOM 0 HB2 LEU A 49 -0.095 -15.665 -1.203 1.00 25.14 H new ATOM 0 HB3 LEU A 49 -1.428 -16.107 -0.155 1.00 25.14 H new ATOM 0 HG LEU A 49 -0.796 -13.199 -0.461 1.00 4.23 H new ATOM 0 HD11 LEU A 49 -2.172 -13.083 -2.503 1.00 52.13 H new ATOM 0 HD12 LEU A 49 -0.689 -14.034 -2.759 1.00 52.13 H new ATOM 0 HD13 LEU A 49 -2.251 -14.860 -2.545 1.00 52.13 H new ATOM 0 HD21 LEU A 49 -3.247 -13.020 -0.285 1.00 21.20 H new ATOM 0 HD22 LEU A 49 -3.369 -14.795 -0.241 1.00 21.20 H new ATOM 0 HD23 LEU A 49 -2.552 -13.926 1.080 1.00 21.20 H new ATOM 789 N ASN A 50 -0.531 -13.404 2.262 1.00 2.14 N ATOM 790 CA ASN A 50 -1.239 -12.783 3.375 1.00 51.24 C ATOM 791 C ASN A 50 -2.218 -11.725 2.876 1.00 73.32 C ATOM 792 O ASN A 50 -1.827 -10.595 2.578 1.00 30.13 O ATOM 793 CB ASN A 50 -0.245 -12.155 4.353 1.00 23.52 C ATOM 794 CG ASN A 50 0.380 -13.180 5.281 1.00 61.45 C ATOM 795 OD1 ASN A 50 1.549 -13.535 5.134 1.00 42.53 O ATOM 796 ND2 ASN A 50 -0.400 -13.659 6.243 1.00 44.50 N ATOM 0 H ASN A 50 -0.037 -12.747 1.658 1.00 2.14 H new ATOM 0 HA ASN A 50 -1.804 -13.559 3.891 1.00 51.24 H new ATOM 0 HB2 ASN A 50 0.541 -11.649 3.793 1.00 23.52 H new ATOM 0 HB3 ASN A 50 -0.754 -11.395 4.946 1.00 23.52 H new ATOM 0 HD21 ASN A 50 -0.035 -14.351 6.898 1.00 44.50 H new ATOM 0 HD22 ASN A 50 -1.364 -13.335 6.327 1.00 44.50 H new ATOM 803 N ARG A 51 -3.490 -12.097 2.789 1.00 0.13 N ATOM 804 CA ARG A 51 -4.524 -11.179 2.325 1.00 51.01 C ATOM 805 C ARG A 51 -4.769 -10.075 3.349 1.00 31.24 C ATOM 806 O ARG A 51 -5.444 -9.087 3.060 1.00 2.24 O ATOM 807 CB ARG A 51 -5.825 -11.938 2.055 1.00 21.12 C ATOM 808 CG ARG A 51 -6.460 -12.523 3.306 1.00 33.14 C ATOM 809 CD ARG A 51 -7.846 -13.080 3.019 1.00 3.53 C ATOM 810 NE ARG A 51 -8.886 -12.068 3.180 1.00 0.04 N ATOM 811 CZ ARG A 51 -10.138 -12.229 2.768 1.00 72.34 C ATOM 812 NH1 ARG A 51 -10.504 -13.357 2.172 1.00 33.11 N1+ ATOM 813 NH2 ARG A 51 -11.028 -11.262 2.950 1.00 73.32 N ATOM 0 H ARG A 51 -3.830 -13.027 3.033 1.00 0.13 H new ATOM 0 HA ARG A 51 -4.180 -10.721 1.398 1.00 51.01 H new ATOM 0 HB2 ARG A 51 -6.537 -11.264 1.578 1.00 21.12 H new ATOM 0 HB3 ARG A 51 -5.626 -12.744 1.348 1.00 21.12 H new ATOM 0 HG2 ARG A 51 -5.824 -13.314 3.702 1.00 33.14 H new ATOM 0 HG3 ARG A 51 -6.528 -11.753 4.075 1.00 33.14 H new ATOM 0 HD2 ARG A 51 -7.876 -13.472 2.002 1.00 3.53 H new ATOM 0 HD3 ARG A 51 -8.047 -13.916 3.689 1.00 3.53 H new ATOM 0 HE ARG A 51 -8.637 -11.189 3.634 1.00 0.04 H new ATOM 0 HH11 ARG A 51 -9.823 -14.103 2.030 1.00 33.11 H new ATOM 0 HH12 ARG A 51 -11.466 -13.478 1.856 1.00 33.11 H new ATOM 0 HH21 ARG A 51 -10.751 -10.393 3.407 1.00 73.32 H new ATOM 0 HH22 ARG A 51 -11.989 -11.387 2.633 1.00 73.32 H new ATOM 827 N GLU A 52 -4.218 -10.251 4.545 1.00 34.15 N ATOM 828 CA GLU A 52 -4.379 -9.269 5.612 1.00 24.22 C ATOM 829 C GLU A 52 -3.628 -7.982 5.285 1.00 0.20 C ATOM 830 O GLU A 52 -4.139 -6.882 5.493 1.00 22.35 O ATOM 831 CB GLU A 52 -3.879 -9.841 6.941 1.00 52.12 C ATOM 832 CG GLU A 52 -2.437 -10.317 6.894 1.00 75.31 C ATOM 833 CD GLU A 52 -1.999 -10.981 8.186 1.00 73.42 C ATOM 834 OE1 GLU A 52 -2.316 -12.173 8.378 1.00 11.41 O ATOM 835 OE2 GLU A 52 -1.341 -10.306 9.004 1.00 52.33 O1- ATOM 0 H GLU A 52 -3.657 -11.063 4.800 1.00 34.15 H new ATOM 0 HA GLU A 52 -5.440 -9.037 5.701 1.00 24.22 H new ATOM 0 HB2 GLU A 52 -3.976 -9.079 7.714 1.00 52.12 H new ATOM 0 HB3 GLU A 52 -4.519 -10.674 7.232 1.00 52.12 H new ATOM 0 HG2 GLU A 52 -2.317 -11.020 6.070 1.00 75.31 H new ATOM 0 HG3 GLU A 52 -1.785 -9.469 6.687 1.00 75.31 H new ATOM 842 N THR A 53 -2.410 -8.129 4.771 1.00 23.40 N ATOM 843 CA THR A 53 -1.588 -6.979 4.417 1.00 34.31 C ATOM 844 C THR A 53 -1.108 -7.071 2.972 1.00 54.44 C ATOM 845 O THR A 53 -0.163 -6.390 2.578 1.00 31.00 O ATOM 846 CB THR A 53 -0.365 -6.856 5.344 1.00 73.11 C ATOM 847 OG1 THR A 53 0.379 -5.676 5.020 1.00 13.41 O ATOM 848 CG2 THR A 53 0.533 -8.078 5.222 1.00 32.42 C ATOM 0 H THR A 53 -1.972 -9.032 4.591 1.00 23.40 H new ATOM 0 HA THR A 53 -2.214 -6.095 4.534 1.00 34.31 H new ATOM 0 HB THR A 53 -0.722 -6.789 6.372 1.00 73.11 H new ATOM 0 HG1 THR A 53 0.334 -5.516 4.054 1.00 13.41 H new ATOM 0 HG21 THR A 53 1.390 -7.968 5.886 1.00 32.42 H new ATOM 0 HG22 THR A 53 -0.028 -8.971 5.499 1.00 32.42 H new ATOM 0 HG23 THR A 53 0.881 -8.172 4.193 1.00 32.42 H new ATOM 856 N GLY A 54 -1.767 -7.918 2.187 1.00 23.41 N ATOM 857 CA GLY A 54 -1.394 -8.082 0.794 1.00 44.31 C ATOM 858 C GLY A 54 0.080 -8.392 0.623 1.00 5.13 C ATOM 859 O GLY A 54 0.663 -8.108 -0.424 1.00 74.51 O ATOM 0 H GLY A 54 -2.552 -8.493 2.491 1.00 23.41 H new ATOM 0 HA2 GLY A 54 -1.985 -8.886 0.355 1.00 44.31 H new ATOM 0 HA3 GLY A 54 -1.637 -7.172 0.246 1.00 44.31 H new ATOM 863 N SER A 55 0.685 -8.977 1.652 1.00 33.40 N ATOM 864 CA SER A 55 2.100 -9.321 1.612 1.00 75.11 C ATOM 865 C SER A 55 2.294 -10.784 1.222 1.00 63.23 C ATOM 866 O SER A 55 1.329 -11.543 1.121 1.00 45.55 O ATOM 867 CB SER A 55 2.751 -9.054 2.971 1.00 55.25 C ATOM 868 OG SER A 55 2.881 -7.664 3.210 1.00 71.01 O ATOM 0 H SER A 55 0.216 -9.222 2.524 1.00 33.40 H new ATOM 0 HA SER A 55 2.578 -8.695 0.858 1.00 75.11 H new ATOM 0 HB2 SER A 55 2.151 -9.507 3.760 1.00 55.25 H new ATOM 0 HB3 SER A 55 3.733 -9.526 3.006 1.00 55.25 H new ATOM 0 HG SER A 55 3.298 -7.520 4.085 1.00 71.01 H new ATOM 874 N ILE A 56 3.545 -11.170 1.001 1.00 3.53 N ATOM 875 CA ILE A 56 3.866 -12.541 0.623 1.00 74.13 C ATOM 876 C ILE A 56 5.250 -12.940 1.123 1.00 0.40 C ATOM 877 O ILE A 56 6.183 -12.138 1.104 1.00 42.33 O ATOM 878 CB ILE A 56 3.810 -12.730 -0.905 1.00 73.52 C ATOM 879 CG1 ILE A 56 3.685 -14.215 -1.252 1.00 3.03 C ATOM 880 CG2 ILE A 56 5.046 -12.130 -1.558 1.00 41.12 C ATOM 881 CD1 ILE A 56 2.279 -14.633 -1.621 1.00 3.04 C ATOM 0 H ILE A 56 4.354 -10.553 1.077 1.00 3.53 H new ATOM 0 HA ILE A 56 3.116 -13.181 1.089 1.00 74.13 H new ATOM 0 HB ILE A 56 2.932 -12.211 -1.289 1.00 73.52 H new ATOM 0 HG12 ILE A 56 4.353 -14.443 -2.083 1.00 3.03 H new ATOM 0 HG13 ILE A 56 4.020 -14.808 -0.401 1.00 3.03 H new ATOM 0 HG21 ILE A 56 4.992 -12.271 -2.637 1.00 41.12 H new ATOM 0 HG22 ILE A 56 5.095 -11.065 -1.334 1.00 41.12 H new ATOM 0 HG23 ILE A 56 5.938 -12.624 -1.172 1.00 41.12 H new ATOM 0 HD11 ILE A 56 2.265 -15.698 -1.855 1.00 3.04 H new ATOM 0 HD12 ILE A 56 1.609 -14.437 -0.784 1.00 3.04 H new ATOM 0 HD13 ILE A 56 1.947 -14.066 -2.491 1.00 3.04 H new ATOM 893 N ARG A 57 5.375 -14.186 1.569 1.00 32.14 N ATOM 894 CA ARG A 57 6.645 -14.692 2.074 1.00 64.45 C ATOM 895 C ARG A 57 6.900 -16.112 1.577 1.00 32.01 C ATOM 896 O ARG A 57 6.046 -16.990 1.707 1.00 32.22 O ATOM 897 CB ARG A 57 6.658 -14.665 3.604 1.00 61.04 C ATOM 898 CG ARG A 57 6.600 -13.265 4.189 1.00 70.51 C ATOM 899 CD ARG A 57 7.926 -12.536 4.020 1.00 15.33 C ATOM 900 NE ARG A 57 7.997 -11.333 4.845 1.00 71.31 N ATOM 901 CZ ARG A 57 8.105 -11.354 6.168 1.00 72.11 C ATOM 902 NH1 ARG A 57 8.152 -12.510 6.815 1.00 34.40 N1+ ATOM 903 NH2 ARG A 57 8.165 -10.216 6.849 1.00 34.43 N ATOM 0 H ARG A 57 4.612 -14.863 1.591 1.00 32.14 H new ATOM 0 HA ARG A 57 7.439 -14.046 1.700 1.00 64.45 H new ATOM 0 HB2 ARG A 57 5.810 -15.240 3.976 1.00 61.04 H new ATOM 0 HB3 ARG A 57 7.561 -15.161 3.960 1.00 61.04 H new ATOM 0 HG2 ARG A 57 5.807 -12.698 3.701 1.00 70.51 H new ATOM 0 HG3 ARG A 57 6.347 -13.322 5.248 1.00 70.51 H new ATOM 0 HD2 ARG A 57 8.744 -13.206 4.284 1.00 15.33 H new ATOM 0 HD3 ARG A 57 8.061 -12.266 2.973 1.00 15.33 H new ATOM 0 HE ARG A 57 7.962 -10.426 4.379 1.00 71.31 H new ATOM 0 HH11 ARG A 57 8.105 -13.387 6.296 1.00 34.40 H new ATOM 0 HH12 ARG A 57 8.235 -12.522 7.832 1.00 34.40 H new ATOM 0 HH21 ARG A 57 8.128 -9.324 6.356 1.00 34.43 H new ATOM 0 HH22 ARG A 57 8.248 -10.234 7.865 1.00 34.43 H new ATOM 917 N VAL A 58 8.081 -16.332 1.008 1.00 42.34 N ATOM 918 CA VAL A 58 8.450 -17.645 0.492 1.00 43.54 C ATOM 919 C VAL A 58 9.368 -18.379 1.463 1.00 10.15 C ATOM 920 O VAL A 58 10.398 -17.850 1.882 1.00 73.04 O ATOM 921 CB VAL A 58 9.149 -17.534 -0.875 1.00 23.50 C ATOM 922 CG1 VAL A 58 9.263 -18.903 -1.529 1.00 55.51 C ATOM 923 CG2 VAL A 58 8.405 -16.563 -1.778 1.00 4.35 C ATOM 0 H VAL A 58 8.799 -15.617 0.893 1.00 42.34 H new ATOM 0 HA VAL A 58 7.526 -18.210 0.374 1.00 43.54 H new ATOM 0 HB VAL A 58 10.156 -17.148 -0.718 1.00 23.50 H new ATOM 0 HG11 VAL A 58 9.760 -18.805 -2.494 1.00 55.51 H new ATOM 0 HG12 VAL A 58 9.844 -19.565 -0.888 1.00 55.51 H new ATOM 0 HG13 VAL A 58 8.267 -19.321 -1.674 1.00 55.51 H new ATOM 0 HG21 VAL A 58 8.914 -16.498 -2.740 1.00 4.35 H new ATOM 0 HG22 VAL A 58 7.385 -16.916 -1.930 1.00 4.35 H new ATOM 0 HG23 VAL A 58 8.382 -15.578 -1.312 1.00 4.35 H new ATOM 933 N PHE A 59 8.988 -19.601 1.819 1.00 1.31 N ATOM 934 CA PHE A 59 9.776 -20.410 2.741 1.00 44.44 C ATOM 935 C PHE A 59 10.099 -21.771 2.133 1.00 1.24 C ATOM 936 O PHE A 59 9.280 -22.356 1.425 1.00 3.23 O ATOM 937 CB PHE A 59 9.025 -20.594 4.061 1.00 43.13 C ATOM 938 CG PHE A 59 8.629 -19.299 4.712 1.00 34.01 C ATOM 939 CD1 PHE A 59 9.547 -18.573 5.454 1.00 52.45 C ATOM 940 CD2 PHE A 59 7.340 -18.808 4.581 1.00 45.01 C ATOM 941 CE1 PHE A 59 9.186 -17.382 6.054 1.00 33.32 C ATOM 942 CE2 PHE A 59 6.973 -17.618 5.179 1.00 52.11 C ATOM 943 CZ PHE A 59 7.898 -16.903 5.916 1.00 33.22 C ATOM 0 H PHE A 59 8.138 -20.053 1.483 1.00 1.31 H new ATOM 0 HA PHE A 59 10.713 -19.887 2.933 1.00 44.44 H new ATOM 0 HB2 PHE A 59 8.130 -21.189 3.880 1.00 43.13 H new ATOM 0 HB3 PHE A 59 9.651 -21.161 4.750 1.00 43.13 H new ATOM 0 HD1 PHE A 59 10.556 -18.942 5.564 1.00 52.45 H new ATOM 0 HD2 PHE A 59 6.614 -19.362 4.005 1.00 45.01 H new ATOM 0 HE1 PHE A 59 9.910 -16.826 6.631 1.00 33.32 H new ATOM 0 HE2 PHE A 59 5.965 -17.247 5.071 1.00 52.11 H new ATOM 0 HZ PHE A 59 7.614 -15.972 6.383 1.00 33.22 H new ATOM 953 N ALA A 60 11.299 -22.269 2.413 1.00 64.33 N ATOM 954 CA ALA A 60 11.731 -23.561 1.895 1.00 61.55 C ATOM 955 C ALA A 60 11.564 -24.655 2.942 1.00 45.11 C ATOM 956 O ALA A 60 11.951 -24.487 4.098 1.00 31.21 O ATOM 957 CB ALA A 60 13.179 -23.487 1.433 1.00 21.41 C ATOM 0 H ALA A 60 11.990 -21.797 2.996 1.00 64.33 H new ATOM 0 HA ALA A 60 11.101 -23.812 1.042 1.00 61.55 H new ATOM 0 HB1 ALA A 60 13.488 -24.459 1.049 1.00 21.41 H new ATOM 0 HB2 ALA A 60 13.272 -22.739 0.646 1.00 21.41 H new ATOM 0 HB3 ALA A 60 13.815 -23.210 2.273 1.00 21.41 H new ATOM 963 N ARG A 61 10.983 -25.778 2.530 1.00 41.23 N ATOM 964 CA ARG A 61 10.762 -26.900 3.435 1.00 72.14 C ATOM 965 C ARG A 61 11.965 -27.839 3.439 1.00 20.13 C ATOM 966 O ARG A 61 12.522 -28.158 2.388 1.00 1.01 O ATOM 967 CB ARG A 61 9.503 -27.669 3.030 1.00 64.24 C ATOM 968 CG ARG A 61 8.782 -28.316 4.201 1.00 32.03 C ATOM 969 CD ARG A 61 7.402 -28.814 3.799 1.00 70.43 C ATOM 970 NE ARG A 61 7.475 -29.944 2.877 1.00 4.21 N ATOM 971 CZ ARG A 61 6.465 -30.778 2.657 1.00 31.53 C ATOM 972 NH1 ARG A 61 5.311 -30.609 3.289 1.00 71.04 N1+ ATOM 973 NH2 ARG A 61 6.607 -31.783 1.803 1.00 24.30 N ATOM 0 H ARG A 61 10.657 -25.935 1.576 1.00 41.23 H new ATOM 0 HA ARG A 61 10.629 -26.503 4.441 1.00 72.14 H new ATOM 0 HB2 ARG A 61 8.819 -26.988 2.524 1.00 64.24 H new ATOM 0 HB3 ARG A 61 9.775 -28.441 2.310 1.00 64.24 H new ATOM 0 HG2 ARG A 61 9.375 -29.149 4.579 1.00 32.03 H new ATOM 0 HG3 ARG A 61 8.688 -27.596 5.014 1.00 32.03 H new ATOM 0 HD2 ARG A 61 6.849 -29.109 4.691 1.00 70.43 H new ATOM 0 HD3 ARG A 61 6.845 -28.001 3.333 1.00 70.43 H new ATOM 0 HE ARG A 61 8.349 -30.101 2.375 1.00 4.21 H new ATOM 0 HH11 ARG A 61 5.198 -29.837 3.946 1.00 71.04 H new ATOM 0 HH12 ARG A 61 4.537 -31.251 3.118 1.00 71.04 H new ATOM 0 HH21 ARG A 61 7.493 -31.916 1.315 1.00 24.30 H new ATOM 0 HH22 ARG A 61 5.831 -32.423 1.635 1.00 24.30 H new ATOM 987 N LYS A 62 12.362 -28.280 4.628 1.00 10.33 N ATOM 988 CA LYS A 62 13.497 -29.182 4.771 1.00 21.43 C ATOM 989 C LYS A 62 13.154 -30.347 5.695 1.00 75.40 C ATOM 990 O LYS A 62 12.602 -30.150 6.777 1.00 2.42 O ATOM 991 CB LYS A 62 14.712 -28.427 5.315 1.00 43.22 C ATOM 992 CG LYS A 62 15.518 -27.717 4.241 1.00 41.54 C ATOM 993 CD LYS A 62 16.551 -26.781 4.847 1.00 43.23 C ATOM 994 CE LYS A 62 17.608 -26.383 3.828 1.00 43.44 C ATOM 995 NZ LYS A 62 17.317 -25.055 3.219 1.00 24.24 N1+ ATOM 0 H LYS A 62 11.913 -28.026 5.508 1.00 10.33 H new ATOM 0 HA LYS A 62 13.737 -29.581 3.785 1.00 21.43 H new ATOM 0 HB2 LYS A 62 14.375 -27.694 6.049 1.00 43.22 H new ATOM 0 HB3 LYS A 62 15.360 -29.129 5.840 1.00 43.22 H new ATOM 0 HG2 LYS A 62 16.018 -28.454 3.613 1.00 41.54 H new ATOM 0 HG3 LYS A 62 14.847 -27.151 3.596 1.00 41.54 H new ATOM 0 HD2 LYS A 62 16.056 -25.887 5.227 1.00 43.23 H new ATOM 0 HD3 LYS A 62 17.029 -27.267 5.698 1.00 43.23 H new ATOM 0 HE2 LYS A 62 18.585 -26.356 4.310 1.00 43.44 H new ATOM 0 HE3 LYS A 62 17.660 -27.139 3.044 1.00 43.44 H new ATOM 0 HZ1 LYS A 62 17.957 -24.894 2.415 1.00 24.24 H new ATOM 0 HZ2 LYS A 62 16.332 -25.034 2.886 1.00 24.24 H new ATOM 0 HZ3 LYS A 62 17.459 -24.309 3.929 1.00 24.24 H new ATOM 1009 N ASP A 63 13.486 -31.558 5.261 1.00 23.54 N ATOM 1010 CA ASP A 63 13.214 -32.753 6.051 1.00 42.41 C ATOM 1011 C ASP A 63 14.118 -32.810 7.279 1.00 73.33 C ATOM 1012 O ASP A 63 15.332 -32.971 7.164 1.00 62.32 O ATOM 1013 CB ASP A 63 13.413 -34.008 5.200 1.00 73.01 C ATOM 1014 CG ASP A 63 12.243 -34.968 5.301 1.00 64.14 C ATOM 1015 OD1 ASP A 63 12.186 -35.732 6.287 1.00 40.11 O ATOM 1016 OD2 ASP A 63 11.385 -34.954 4.395 1.00 60.22 O1- ATOM 0 H ASP A 63 13.943 -31.738 4.367 1.00 23.54 H new ATOM 0 HA ASP A 63 12.178 -32.709 6.386 1.00 42.41 H new ATOM 0 HB2 ASP A 63 13.553 -33.719 4.158 1.00 73.01 H new ATOM 0 HB3 ASP A 63 14.324 -34.516 5.515 1.00 73.01 H new ATOM 1021 N VAL A 64 13.515 -32.674 8.456 1.00 22.25 N ATOM 1022 CA VAL A 64 14.264 -32.709 9.707 1.00 63.30 C ATOM 1023 C VAL A 64 14.761 -34.118 10.010 1.00 51.12 C ATOM 1024 O VAL A 64 13.982 -34.996 10.382 1.00 75.14 O ATOM 1025 CB VAL A 64 13.409 -32.212 10.888 1.00 43.02 C ATOM 1026 CG1 VAL A 64 14.240 -32.149 12.160 1.00 52.52 C ATOM 1027 CG2 VAL A 64 12.801 -30.854 10.571 1.00 14.04 C ATOM 0 H VAL A 64 12.510 -32.539 8.569 1.00 22.25 H new ATOM 0 HA VAL A 64 15.119 -32.044 9.583 1.00 63.30 H new ATOM 0 HB VAL A 64 12.596 -32.920 11.049 1.00 43.02 H new ATOM 0 HG11 VAL A 64 13.619 -31.796 12.983 1.00 52.52 H new ATOM 0 HG12 VAL A 64 14.622 -33.142 12.394 1.00 52.52 H new ATOM 0 HG13 VAL A 64 15.075 -31.464 12.015 1.00 52.52 H new ATOM 0 HG21 VAL A 64 12.200 -30.518 11.416 1.00 14.04 H new ATOM 0 HG22 VAL A 64 13.597 -30.134 10.383 1.00 14.04 H new ATOM 0 HG23 VAL A 64 12.169 -30.936 9.687 1.00 14.04 H new ATOM 1037 N VAL A 65 16.064 -34.328 9.850 1.00 11.54 N ATOM 1038 CA VAL A 65 16.666 -35.630 10.108 1.00 13.21 C ATOM 1039 C VAL A 65 17.975 -35.487 10.877 1.00 31.21 C ATOM 1040 O VAL A 65 18.590 -34.422 10.882 1.00 25.11 O ATOM 1041 CB VAL A 65 16.933 -36.395 8.799 1.00 54.34 C ATOM 1042 CG1 VAL A 65 15.630 -36.908 8.204 1.00 54.12 C ATOM 1043 CG2 VAL A 65 17.669 -35.509 7.805 1.00 31.51 C ATOM 0 H VAL A 65 16.723 -33.612 9.543 1.00 11.54 H new ATOM 0 HA VAL A 65 15.954 -36.194 10.710 1.00 13.21 H new ATOM 0 HB VAL A 65 17.565 -37.254 9.024 1.00 54.34 H new ATOM 0 HG11 VAL A 65 15.839 -37.446 7.279 1.00 54.12 H new ATOM 0 HG12 VAL A 65 15.146 -37.580 8.913 1.00 54.12 H new ATOM 0 HG13 VAL A 65 14.970 -36.066 7.993 1.00 54.12 H new ATOM 0 HG21 VAL A 65 17.850 -36.066 6.885 1.00 31.51 H new ATOM 0 HG22 VAL A 65 17.064 -34.630 7.584 1.00 31.51 H new ATOM 0 HG23 VAL A 65 18.622 -35.196 8.232 1.00 31.51 H new ATOM 1053 N ASP A 66 18.395 -36.568 11.525 1.00 62.52 N ATOM 1054 CA ASP A 66 19.633 -36.565 12.296 1.00 23.33 C ATOM 1055 C ASP A 66 20.833 -36.288 11.396 1.00 21.04 C ATOM 1056 O ASP A 66 21.843 -35.747 11.844 1.00 0.24 O ATOM 1057 CB ASP A 66 19.815 -37.904 13.013 1.00 11.32 C ATOM 1058 CG ASP A 66 19.221 -37.900 14.408 1.00 10.50 C ATOM 1059 OD1 ASP A 66 19.822 -37.276 15.308 1.00 32.13 O ATOM 1060 OD2 ASP A 66 18.154 -38.519 14.600 1.00 75.33 O1- ATOM 0 H ASP A 66 17.896 -37.458 11.532 1.00 62.52 H new ATOM 0 HA ASP A 66 19.568 -35.770 13.039 1.00 23.33 H new ATOM 0 HB2 ASP A 66 19.348 -38.694 12.425 1.00 11.32 H new ATOM 0 HB3 ASP A 66 20.878 -38.138 13.075 1.00 11.32 H new ATOM 1065 N GLU A 67 20.714 -36.663 10.127 1.00 15.03 N ATOM 1066 CA GLU A 67 21.790 -36.456 9.165 1.00 31.11 C ATOM 1067 C GLU A 67 21.231 -36.197 7.769 1.00 50.23 C ATOM 1068 O GLU A 67 20.236 -36.799 7.366 1.00 63.43 O ATOM 1069 CB GLU A 67 22.720 -37.672 9.137 1.00 55.42 C ATOM 1070 CG GLU A 67 23.253 -38.062 10.505 1.00 72.25 C ATOM 1071 CD GLU A 67 24.092 -39.325 10.466 1.00 31.21 C ATOM 1072 OE1 GLU A 67 24.974 -39.422 9.589 1.00 25.33 O1- ATOM 1073 OE2 GLU A 67 23.865 -40.214 11.312 1.00 71.05 O ATOM 0 H GLU A 67 19.883 -37.112 9.741 1.00 15.03 H new ATOM 0 HA GLU A 67 22.358 -35.580 9.478 1.00 31.11 H new ATOM 0 HB2 GLU A 67 22.183 -38.519 8.710 1.00 55.42 H new ATOM 0 HB3 GLU A 67 23.560 -37.461 8.476 1.00 55.42 H new ATOM 0 HG2 GLU A 67 23.853 -37.244 10.904 1.00 72.25 H new ATOM 0 HG3 GLU A 67 22.417 -38.207 11.189 1.00 72.25 H new ATOM 1080 N VAL A 68 21.878 -35.296 7.037 1.00 15.43 N ATOM 1081 CA VAL A 68 21.446 -34.957 5.686 1.00 65.11 C ATOM 1082 C VAL A 68 21.348 -36.202 4.812 1.00 4.00 C ATOM 1083 O VAL A 68 22.333 -36.913 4.613 1.00 42.11 O ATOM 1084 CB VAL A 68 22.410 -33.953 5.025 1.00 61.52 C ATOM 1085 CG1 VAL A 68 21.970 -33.650 3.601 1.00 71.34 C ATOM 1086 CG2 VAL A 68 22.496 -32.677 5.849 1.00 63.52 C ATOM 0 H VAL A 68 22.703 -34.788 7.356 1.00 15.43 H new ATOM 0 HA VAL A 68 20.460 -34.500 5.773 1.00 65.11 H new ATOM 0 HB VAL A 68 23.403 -34.400 4.985 1.00 61.52 H new ATOM 0 HG11 VAL A 68 22.662 -32.939 3.150 1.00 71.34 H new ATOM 0 HG12 VAL A 68 21.964 -34.571 3.018 1.00 71.34 H new ATOM 0 HG13 VAL A 68 20.968 -33.222 3.613 1.00 71.34 H new ATOM 0 HG21 VAL A 68 23.181 -31.979 5.368 1.00 63.52 H new ATOM 0 HG22 VAL A 68 21.507 -32.224 5.922 1.00 63.52 H new ATOM 0 HG23 VAL A 68 22.861 -32.913 6.848 1.00 63.52 H new ATOM 1096 N TYR A 69 20.153 -36.459 4.292 1.00 32.10 N ATOM 1097 CA TYR A 69 19.923 -37.619 3.440 1.00 32.14 C ATOM 1098 C TYR A 69 19.531 -37.191 2.029 1.00 61.22 C ATOM 1099 O TYR A 69 19.735 -37.928 1.065 1.00 10.20 O ATOM 1100 CB TYR A 69 18.833 -38.510 4.036 1.00 62.24 C ATOM 1101 CG TYR A 69 19.365 -39.586 4.956 1.00 44.51 C ATOM 1102 CD1 TYR A 69 19.990 -40.717 4.446 1.00 73.44 C ATOM 1103 CD2 TYR A 69 19.242 -39.471 6.335 1.00 23.33 C ATOM 1104 CE1 TYR A 69 20.476 -41.703 5.282 1.00 1.01 C ATOM 1105 CE2 TYR A 69 19.728 -40.451 7.179 1.00 60.10 C ATOM 1106 CZ TYR A 69 20.343 -41.565 6.648 1.00 34.24 C ATOM 1107 OH TYR A 69 20.828 -42.544 7.484 1.00 60.13 O ATOM 0 H TYR A 69 19.328 -35.879 4.446 1.00 32.10 H new ATOM 0 HA TYR A 69 20.853 -38.184 3.383 1.00 32.14 H new ATOM 0 HB2 TYR A 69 18.129 -37.888 4.588 1.00 62.24 H new ATOM 0 HB3 TYR A 69 18.276 -38.980 3.225 1.00 62.24 H new ATOM 0 HD1 TYR A 69 20.098 -40.827 3.377 1.00 73.44 H new ATOM 0 HD2 TYR A 69 18.758 -38.601 6.754 1.00 23.33 H new ATOM 0 HE1 TYR A 69 20.957 -42.577 4.869 1.00 1.01 H new ATOM 0 HE2 TYR A 69 19.627 -40.345 8.249 1.00 60.10 H new ATOM 0 HH TYR A 69 20.655 -42.294 8.416 1.00 60.13 H new ATOM 1117 N ASP A 70 18.968 -35.993 1.918 1.00 20.02 N ATOM 1118 CA ASP A 70 18.547 -35.464 0.625 1.00 33.31 C ATOM 1119 C ASP A 70 19.306 -34.183 0.290 1.00 24.14 C ATOM 1120 O ASP A 70 18.982 -33.109 0.795 1.00 24.10 O ATOM 1121 CB ASP A 70 17.042 -35.193 0.626 1.00 13.03 C ATOM 1122 CG ASP A 70 16.250 -36.322 -0.004 1.00 63.42 C ATOM 1123 OD1 ASP A 70 16.500 -37.493 0.352 1.00 60.34 O ATOM 1124 OD2 ASP A 70 15.381 -36.034 -0.853 1.00 62.25 O1- ATOM 0 H ASP A 70 18.793 -35.370 2.706 1.00 20.02 H new ATOM 0 HA ASP A 70 18.773 -36.210 -0.137 1.00 33.31 H new ATOM 0 HB2 ASP A 70 16.703 -35.044 1.651 1.00 13.03 H new ATOM 0 HB3 ASP A 70 16.842 -34.267 0.086 1.00 13.03 H new ATOM 1129 N GLN A 71 20.317 -34.308 -0.564 1.00 45.13 N ATOM 1130 CA GLN A 71 21.123 -33.160 -0.965 1.00 73.34 C ATOM 1131 C GLN A 71 20.249 -32.065 -1.568 1.00 44.25 C ATOM 1132 O GLN A 71 20.616 -30.891 -1.561 1.00 55.10 O ATOM 1133 CB GLN A 71 22.192 -33.589 -1.970 1.00 71.25 C ATOM 1134 CG GLN A 71 23.327 -32.587 -2.114 1.00 52.44 C ATOM 1135 CD GLN A 71 24.621 -33.233 -2.571 1.00 44.52 C ATOM 1136 OE1 GLN A 71 24.613 -34.156 -3.386 1.00 34.54 O ATOM 1137 NE2 GLN A 71 25.741 -32.751 -2.046 1.00 51.40 N ATOM 0 H GLN A 71 20.597 -35.191 -0.991 1.00 45.13 H new ATOM 0 HA GLN A 71 21.610 -32.760 -0.076 1.00 73.34 H new ATOM 0 HB2 GLN A 71 22.604 -34.550 -1.662 1.00 71.25 H new ATOM 0 HB3 GLN A 71 21.725 -33.739 -2.943 1.00 71.25 H new ATOM 0 HG2 GLN A 71 23.038 -31.816 -2.829 1.00 52.44 H new ATOM 0 HG3 GLN A 71 23.491 -32.090 -1.158 1.00 52.44 H new ATOM 0 HE21 GLN A 71 25.701 -31.985 -1.374 1.00 51.40 H new ATOM 0 HE22 GLN A 71 26.642 -33.147 -2.315 1.00 51.40 H new ATOM 1146 N ARG A 72 19.092 -32.459 -2.090 1.00 4.45 N ATOM 1147 CA ARG A 72 18.167 -31.511 -2.700 1.00 31.14 C ATOM 1148 C ARG A 72 17.570 -30.582 -1.647 1.00 3.13 C ATOM 1149 O ARG A 72 17.453 -29.375 -1.863 1.00 25.45 O ATOM 1150 CB ARG A 72 17.049 -32.257 -3.432 1.00 14.31 C ATOM 1151 CG ARG A 72 16.276 -33.217 -2.545 1.00 43.23 C ATOM 1152 CD ARG A 72 15.275 -34.034 -3.348 1.00 44.31 C ATOM 1153 NE ARG A 72 15.907 -35.165 -4.022 1.00 31.03 N ATOM 1154 CZ ARG A 72 15.277 -35.947 -4.892 1.00 1.35 C ATOM 1155 NH1 ARG A 72 14.006 -35.721 -5.192 1.00 20.14 N1+ ATOM 1156 NH2 ARG A 72 15.921 -36.957 -5.463 1.00 72.31 N ATOM 0 H ARG A 72 18.773 -33.428 -2.103 1.00 4.45 H new ATOM 0 HA ARG A 72 18.723 -30.908 -3.418 1.00 31.14 H new ATOM 0 HB2 ARG A 72 16.356 -31.530 -3.857 1.00 14.31 H new ATOM 0 HB3 ARG A 72 17.479 -32.812 -4.265 1.00 14.31 H new ATOM 0 HG2 ARG A 72 16.971 -33.887 -2.039 1.00 43.23 H new ATOM 0 HG3 ARG A 72 15.752 -32.657 -1.770 1.00 43.23 H new ATOM 0 HD2 ARG A 72 14.491 -34.399 -2.685 1.00 44.31 H new ATOM 0 HD3 ARG A 72 14.795 -33.393 -4.088 1.00 44.31 H new ATOM 0 HE ARG A 72 16.885 -35.365 -3.814 1.00 31.03 H new ATOM 0 HH11 ARG A 72 13.509 -34.945 -4.755 1.00 20.14 H new ATOM 0 HH12 ARG A 72 13.525 -36.323 -5.860 1.00 20.14 H new ATOM 0 HH21 ARG A 72 16.899 -37.133 -5.234 1.00 72.31 H new ATOM 0 HH22 ARG A 72 15.438 -37.558 -6.131 1.00 72.31 H new ATOM 1170 N LEU A 73 17.192 -31.152 -0.509 1.00 3.20 N ATOM 1171 CA LEU A 73 16.605 -30.375 0.578 1.00 51.45 C ATOM 1172 C LEU A 73 16.556 -31.191 1.865 1.00 42.22 C ATOM 1173 O LEU A 73 15.951 -32.262 1.910 1.00 32.31 O ATOM 1174 CB LEU A 73 15.197 -29.914 0.199 1.00 24.54 C ATOM 1175 CG LEU A 73 14.146 -31.014 0.053 1.00 44.12 C ATOM 1176 CD1 LEU A 73 13.190 -31.000 1.235 1.00 70.54 C ATOM 1177 CD2 LEU A 73 13.383 -30.852 -1.254 1.00 14.14 C ATOM 0 H LEU A 73 17.281 -32.149 -0.314 1.00 3.20 H new ATOM 0 HA LEU A 73 17.233 -29.501 0.748 1.00 51.45 H new ATOM 0 HB2 LEU A 73 14.852 -29.208 0.955 1.00 24.54 H new ATOM 0 HB3 LEU A 73 15.256 -29.369 -0.743 1.00 24.54 H new ATOM 0 HG LEU A 73 14.656 -31.977 0.037 1.00 44.12 H new ATOM 0 HD11 LEU A 73 12.449 -31.790 1.113 1.00 70.54 H new ATOM 0 HD12 LEU A 73 13.748 -31.165 2.156 1.00 70.54 H new ATOM 0 HD13 LEU A 73 12.686 -30.035 1.284 1.00 70.54 H new ATOM 0 HD21 LEU A 73 12.639 -31.644 -1.341 1.00 14.14 H new ATOM 0 HD22 LEU A 73 12.885 -29.883 -1.267 1.00 14.14 H new ATOM 0 HD23 LEU A 73 14.078 -30.914 -2.091 1.00 14.14 H new ATOM 1189 N GLU A 74 17.193 -30.676 2.912 1.00 52.14 N ATOM 1190 CA GLU A 74 17.220 -31.357 4.201 1.00 53.33 C ATOM 1191 C GLU A 74 17.646 -30.402 5.312 1.00 31.14 C ATOM 1192 O GLU A 74 18.158 -29.314 5.047 1.00 54.40 O ATOM 1193 CB GLU A 74 18.171 -32.555 4.151 1.00 34.50 C ATOM 1194 CG GLU A 74 17.682 -33.754 4.944 1.00 5.55 C ATOM 1195 CD GLU A 74 16.827 -34.694 4.117 1.00 50.11 C ATOM 1196 OE1 GLU A 74 15.795 -34.238 3.579 1.00 53.23 O ATOM 1197 OE2 GLU A 74 17.189 -35.884 4.006 1.00 54.12 O1- ATOM 0 H GLU A 74 17.697 -29.790 2.893 1.00 52.14 H new ATOM 0 HA GLU A 74 16.212 -31.711 4.416 1.00 53.33 H new ATOM 0 HB2 GLU A 74 18.314 -32.851 3.112 1.00 34.50 H new ATOM 0 HB3 GLU A 74 19.146 -32.251 4.533 1.00 34.50 H new ATOM 0 HG2 GLU A 74 18.540 -34.300 5.335 1.00 5.55 H new ATOM 0 HG3 GLU A 74 17.107 -33.407 5.802 1.00 5.55 H new ATOM 1204 N ILE A 75 17.431 -30.818 6.555 1.00 62.14 N ATOM 1205 CA ILE A 75 17.794 -30.001 7.708 1.00 30.31 C ATOM 1206 C ILE A 75 18.146 -30.870 8.910 1.00 75.04 C ATOM 1207 O ILE A 75 17.372 -31.740 9.308 1.00 14.04 O ATOM 1208 CB ILE A 75 16.654 -29.042 8.098 1.00 50.21 C ATOM 1209 CG1 ILE A 75 17.032 -28.248 9.350 1.00 4.55 C ATOM 1210 CG2 ILE A 75 15.364 -29.817 8.325 1.00 62.41 C ATOM 1211 CD1 ILE A 75 16.746 -26.767 9.236 1.00 31.35 C ATOM 0 H ILE A 75 17.007 -31.716 6.790 1.00 62.14 H new ATOM 0 HA ILE A 75 18.667 -29.417 7.418 1.00 30.31 H new ATOM 0 HB ILE A 75 16.494 -28.340 7.280 1.00 50.21 H new ATOM 0 HG12 ILE A 75 16.487 -28.650 10.204 1.00 4.55 H new ATOM 0 HG13 ILE A 75 18.093 -28.390 9.554 1.00 4.55 H new ATOM 0 HG21 ILE A 75 14.568 -29.125 8.600 1.00 62.41 H new ATOM 0 HG22 ILE A 75 15.089 -30.342 7.410 1.00 62.41 H new ATOM 0 HG23 ILE A 75 15.510 -30.540 9.128 1.00 62.41 H new ATOM 0 HD11 ILE A 75 17.039 -26.268 10.160 1.00 31.35 H new ATOM 0 HD12 ILE A 75 17.312 -26.350 8.403 1.00 31.35 H new ATOM 0 HD13 ILE A 75 15.681 -26.614 9.063 1.00 31.35 H new ATOM 1223 N SER A 76 19.320 -30.627 9.484 1.00 72.03 N ATOM 1224 CA SER A 76 19.777 -31.390 10.641 1.00 2.32 C ATOM 1225 C SER A 76 18.910 -31.096 11.862 1.00 11.44 C ATOM 1226 O SER A 76 18.531 -29.951 12.107 1.00 13.53 O ATOM 1227 CB SER A 76 21.239 -31.061 10.949 1.00 63.42 C ATOM 1228 OG SER A 76 21.343 -29.884 11.732 1.00 63.00 O ATOM 0 H SER A 76 19.972 -29.909 9.168 1.00 72.03 H new ATOM 0 HA SER A 76 19.692 -32.450 10.403 1.00 2.32 H new ATOM 0 HB2 SER A 76 21.699 -31.895 11.478 1.00 63.42 H new ATOM 0 HB3 SER A 76 21.790 -30.932 10.017 1.00 63.42 H new ATOM 0 HG SER A 76 22.282 -29.607 11.783 1.00 63.00 H new ATOM 1234 N ILE A 77 18.599 -32.140 12.622 1.00 32.21 N ATOM 1235 CA ILE A 77 17.777 -31.996 13.818 1.00 42.24 C ATOM 1236 C ILE A 77 18.311 -30.890 14.721 1.00 3.30 C ATOM 1237 O ILE A 77 17.542 -30.158 15.342 1.00 62.34 O ATOM 1238 CB ILE A 77 17.711 -33.311 14.617 1.00 2.05 C ATOM 1239 CG1 ILE A 77 16.818 -33.140 15.848 1.00 61.14 C ATOM 1240 CG2 ILE A 77 19.108 -33.751 15.027 1.00 44.33 C ATOM 1241 CD1 ILE A 77 15.366 -32.882 15.509 1.00 2.10 C ATOM 0 H ILE A 77 18.903 -33.095 12.431 1.00 32.21 H new ATOM 0 HA ILE A 77 16.773 -31.734 13.483 1.00 42.24 H new ATOM 0 HB ILE A 77 17.279 -34.084 13.982 1.00 2.05 H new ATOM 0 HG12 ILE A 77 16.885 -34.037 16.463 1.00 61.14 H new ATOM 0 HG13 ILE A 77 17.195 -32.312 16.449 1.00 61.14 H new ATOM 0 HG21 ILE A 77 19.045 -34.682 15.591 1.00 44.33 H new ATOM 0 HG22 ILE A 77 19.717 -33.907 14.136 1.00 44.33 H new ATOM 0 HG23 ILE A 77 19.565 -32.980 15.648 1.00 44.33 H new ATOM 0 HD11 ILE A 77 14.792 -32.771 16.429 1.00 2.10 H new ATOM 0 HD12 ILE A 77 15.287 -31.969 14.919 1.00 2.10 H new ATOM 0 HD13 ILE A 77 14.972 -33.720 14.934 1.00 2.10 H new ATOM 1253 N GLU A 78 19.634 -30.775 14.788 1.00 30.11 N ATOM 1254 CA GLU A 78 20.271 -29.757 15.616 1.00 0.34 C ATOM 1255 C GLU A 78 20.101 -28.371 14.999 1.00 42.21 C ATOM 1256 O GLU A 78 19.979 -27.376 15.712 1.00 45.21 O ATOM 1257 CB GLU A 78 21.757 -30.070 15.793 1.00 12.10 C ATOM 1258 CG GLU A 78 22.535 -30.094 14.488 1.00 52.02 C ATOM 1259 CD GLU A 78 23.969 -30.549 14.671 1.00 3.31 C ATOM 1260 OE1 GLU A 78 24.175 -31.719 15.058 1.00 41.43 O1- ATOM 1261 OE2 GLU A 78 24.886 -29.735 14.430 1.00 44.14 O ATOM 0 H GLU A 78 20.285 -31.373 14.279 1.00 30.11 H new ATOM 0 HA GLU A 78 19.787 -29.763 16.593 1.00 0.34 H new ATOM 0 HB2 GLU A 78 22.199 -29.327 16.456 1.00 12.10 H new ATOM 0 HB3 GLU A 78 21.860 -31.037 16.285 1.00 12.10 H new ATOM 0 HG2 GLU A 78 22.034 -30.758 13.783 1.00 52.02 H new ATOM 0 HG3 GLU A 78 22.528 -29.097 14.047 1.00 52.02 H new ATOM 1268 N GLU A 79 20.094 -28.317 13.671 1.00 34.12 N ATOM 1269 CA GLU A 79 19.941 -27.053 12.960 1.00 41.22 C ATOM 1270 C GLU A 79 18.570 -26.441 13.229 1.00 73.11 C ATOM 1271 O GLU A 79 18.461 -25.269 13.589 1.00 3.25 O ATOM 1272 CB GLU A 79 20.133 -27.262 11.456 1.00 40.51 C ATOM 1273 CG GLU A 79 19.945 -25.997 10.637 1.00 71.40 C ATOM 1274 CD GLU A 79 19.887 -26.270 9.147 1.00 23.32 C ATOM 1275 OE1 GLU A 79 20.460 -27.289 8.706 1.00 73.13 O1- ATOM 1276 OE2 GLU A 79 19.267 -25.465 8.420 1.00 25.22 O ATOM 0 H GLU A 79 20.192 -29.133 13.066 1.00 34.12 H new ATOM 0 HA GLU A 79 20.704 -26.365 13.324 1.00 41.22 H new ATOM 0 HB2 GLU A 79 21.134 -27.655 11.277 1.00 40.51 H new ATOM 0 HB3 GLU A 79 19.427 -28.017 11.110 1.00 40.51 H new ATOM 0 HG2 GLU A 79 19.026 -25.501 10.948 1.00 71.40 H new ATOM 0 HG3 GLU A 79 20.764 -25.309 10.845 1.00 71.40 H new ATOM 1283 N ALA A 80 17.524 -27.242 13.049 1.00 23.40 N ATOM 1284 CA ALA A 80 16.160 -26.780 13.272 1.00 41.12 C ATOM 1285 C ALA A 80 15.999 -26.203 14.675 1.00 13.05 C ATOM 1286 O ALA A 80 15.292 -25.215 14.871 1.00 13.31 O ATOM 1287 CB ALA A 80 15.175 -27.918 13.052 1.00 63.34 C ATOM 0 H ALA A 80 17.596 -28.214 12.749 1.00 23.40 H new ATOM 0 HA ALA A 80 15.949 -25.987 12.554 1.00 41.12 H new ATOM 0 HB1 ALA A 80 14.160 -27.559 13.222 1.00 63.34 H new ATOM 0 HB2 ALA A 80 15.264 -28.284 12.029 1.00 63.34 H new ATOM 0 HB3 ALA A 80 15.394 -28.728 13.747 1.00 63.34 H new ATOM 1293 N GLN A 81 16.659 -26.826 15.646 1.00 53.33 N ATOM 1294 CA GLN A 81 16.587 -26.374 17.031 1.00 55.10 C ATOM 1295 C GLN A 81 17.185 -24.979 17.179 1.00 65.05 C ATOM 1296 O GLN A 81 16.795 -24.216 18.061 1.00 13.14 O ATOM 1297 CB GLN A 81 17.316 -27.356 17.948 1.00 55.14 C ATOM 1298 CG GLN A 81 16.629 -28.706 18.065 1.00 15.04 C ATOM 1299 CD GLN A 81 17.438 -29.707 18.866 1.00 74.24 C ATOM 1300 OE1 GLN A 81 18.509 -29.386 19.380 1.00 60.45 O ATOM 1301 NE2 GLN A 81 16.927 -30.927 18.979 1.00 12.11 N ATOM 0 H GLN A 81 17.249 -27.645 15.500 1.00 53.33 H new ATOM 0 HA GLN A 81 15.537 -26.331 17.320 1.00 55.10 H new ATOM 0 HB2 GLN A 81 18.329 -27.505 17.574 1.00 55.14 H new ATOM 0 HB3 GLN A 81 17.404 -26.915 18.941 1.00 55.14 H new ATOM 0 HG2 GLN A 81 15.654 -28.574 18.535 1.00 15.04 H new ATOM 0 HG3 GLN A 81 16.450 -29.106 17.067 1.00 15.04 H new ATOM 0 HE21 GLN A 81 16.035 -31.150 18.536 1.00 12.11 H new ATOM 0 HE22 GLN A 81 17.426 -31.642 19.509 1.00 12.11 H new ATOM 1310 N GLY A 82 18.137 -24.653 16.310 1.00 10.33 N ATOM 1311 CA GLY A 82 18.774 -23.350 16.362 1.00 0.41 C ATOM 1312 C GLY A 82 17.774 -22.213 16.328 1.00 3.45 C ATOM 1313 O GLY A 82 17.955 -21.197 16.999 1.00 20.11 O ATOM 0 H GLY A 82 18.478 -25.268 15.571 1.00 10.33 H new ATOM 0 HA2 GLY A 82 19.371 -23.277 17.271 1.00 0.41 H new ATOM 0 HA3 GLY A 82 19.460 -23.251 15.521 1.00 0.41 H new ATOM 1317 N ILE A 83 16.715 -22.381 15.542 1.00 31.40 N ATOM 1318 CA ILE A 83 15.683 -21.361 15.423 1.00 1.12 C ATOM 1319 C ILE A 83 14.405 -21.784 16.140 1.00 73.35 C ATOM 1320 O ILE A 83 13.595 -20.945 16.537 1.00 13.12 O ATOM 1321 CB ILE A 83 15.355 -21.060 13.948 1.00 1.41 C ATOM 1322 CG1 ILE A 83 14.721 -22.285 13.284 1.00 4.34 C ATOM 1323 CG2 ILE A 83 16.612 -20.637 13.202 1.00 22.22 C ATOM 1324 CD1 ILE A 83 14.341 -22.059 11.838 1.00 2.43 C ATOM 0 H ILE A 83 16.550 -23.215 14.978 1.00 31.40 H new ATOM 0 HA ILE A 83 16.077 -20.459 15.891 1.00 1.12 H new ATOM 0 HB ILE A 83 14.640 -20.238 13.910 1.00 1.41 H new ATOM 0 HG12 ILE A 83 15.418 -23.121 13.342 1.00 4.34 H new ATOM 0 HG13 ILE A 83 13.831 -22.572 13.844 1.00 4.34 H new ATOM 0 HG21 ILE A 83 16.364 -20.428 12.161 1.00 22.22 H new ATOM 0 HG22 ILE A 83 17.025 -19.740 13.664 1.00 22.22 H new ATOM 0 HG23 ILE A 83 17.348 -21.440 13.245 1.00 22.22 H new ATOM 0 HD11 ILE A 83 13.898 -22.968 11.432 1.00 2.43 H new ATOM 0 HD12 ILE A 83 13.620 -21.244 11.774 1.00 2.43 H new ATOM 0 HD13 ILE A 83 15.231 -21.801 11.264 1.00 2.43 H new ATOM 1336 N HIS A 84 14.230 -23.092 16.304 1.00 63.03 N ATOM 1337 CA HIS A 84 13.052 -23.628 16.976 1.00 54.51 C ATOM 1338 C HIS A 84 13.332 -25.018 17.537 1.00 12.33 C ATOM 1339 O HIS A 84 13.289 -26.021 16.825 1.00 53.42 O ATOM 1340 CB HIS A 84 11.869 -23.684 16.008 1.00 32.52 C ATOM 1341 CG HIS A 84 10.579 -23.221 16.612 1.00 13.05 C ATOM 1342 ND1 HIS A 84 10.213 -23.501 17.911 1.00 42.33 N ATOM 1343 CD2 HIS A 84 9.567 -22.491 16.086 1.00 40.41 C ATOM 1344 CE1 HIS A 84 9.031 -22.965 18.159 1.00 4.32 C ATOM 1345 NE2 HIS A 84 8.617 -22.346 17.068 1.00 13.00 N ATOM 0 H HIS A 84 14.889 -23.800 15.981 1.00 63.03 H new ATOM 0 HA HIS A 84 12.803 -22.965 17.805 1.00 54.51 H new ATOM 0 HB2 HIS A 84 12.094 -23.069 15.136 1.00 32.52 H new ATOM 0 HB3 HIS A 84 11.748 -24.708 15.654 1.00 32.52 H new ATOM 0 HD2 HIS A 84 9.516 -22.096 15.082 1.00 40.41 H new ATOM 0 HE1 HIS A 84 8.495 -23.023 19.095 1.00 4.32 H new ATOM 0 HE2 HIS A 84 7.735 -21.842 16.970 1.00 13.00 H new ATOM 1353 N PRO A 85 13.626 -25.081 18.844 1.00 51.33 N ATOM 1354 CA PRO A 85 13.919 -26.343 19.530 1.00 21.45 C ATOM 1355 C PRO A 85 12.685 -27.229 19.664 1.00 1.12 C ATOM 1356 O PRO A 85 12.782 -28.382 20.087 1.00 55.23 O ATOM 1357 CB PRO A 85 14.406 -25.892 20.909 1.00 54.51 C ATOM 1358 CG PRO A 85 13.779 -24.557 21.115 1.00 23.33 C ATOM 1359 CD PRO A 85 13.694 -23.925 19.754 1.00 35.21 C ATOM 0 HA PRO A 85 14.644 -26.946 18.983 1.00 21.45 H new ATOM 0 HB2 PRO A 85 14.104 -26.595 21.685 1.00 54.51 H new ATOM 0 HB3 PRO A 85 15.494 -25.828 20.943 1.00 54.51 H new ATOM 0 HG2 PRO A 85 12.790 -24.655 21.562 1.00 23.33 H new ATOM 0 HG3 PRO A 85 14.376 -23.946 21.792 1.00 23.33 H new ATOM 0 HD2 PRO A 85 12.814 -23.288 19.661 1.00 35.21 H new ATOM 0 HD3 PRO A 85 14.563 -23.301 19.546 1.00 35.21 H new ATOM 1367 N GLU A 86 11.528 -26.685 19.301 1.00 11.24 N ATOM 1368 CA GLU A 86 10.276 -27.427 19.383 1.00 2.30 C ATOM 1369 C GLU A 86 10.198 -28.483 18.283 1.00 54.33 C ATOM 1370 O GLU A 86 9.414 -29.428 18.369 1.00 72.01 O ATOM 1371 CB GLU A 86 9.084 -26.475 19.277 1.00 32.11 C ATOM 1372 CG GLU A 86 8.817 -25.691 20.551 1.00 10.02 C ATOM 1373 CD GLU A 86 8.297 -26.565 21.676 1.00 32.22 C ATOM 1374 OE1 GLU A 86 8.171 -27.789 21.465 1.00 51.41 O1- ATOM 1375 OE2 GLU A 86 8.017 -26.025 22.766 1.00 32.50 O ATOM 0 H GLU A 86 11.432 -25.733 18.947 1.00 11.24 H new ATOM 0 HA GLU A 86 10.244 -27.930 20.350 1.00 2.30 H new ATOM 0 HB2 GLU A 86 9.260 -25.775 18.460 1.00 32.11 H new ATOM 0 HB3 GLU A 86 8.193 -27.048 19.020 1.00 32.11 H new ATOM 0 HG2 GLU A 86 9.737 -25.202 20.872 1.00 10.02 H new ATOM 0 HG3 GLU A 86 8.093 -24.903 20.343 1.00 10.02 H new ATOM 1382 N TYR A 87 11.013 -28.313 17.249 1.00 13.33 N ATOM 1383 CA TYR A 87 11.035 -29.248 16.130 1.00 62.40 C ATOM 1384 C TYR A 87 11.396 -30.653 16.601 1.00 30.01 C ATOM 1385 O TYR A 87 11.691 -30.869 17.776 1.00 64.21 O ATOM 1386 CB TYR A 87 12.033 -28.782 15.068 1.00 41.24 C ATOM 1387 CG TYR A 87 11.529 -27.630 14.228 1.00 51.15 C ATOM 1388 CD1 TYR A 87 10.241 -27.637 13.705 1.00 4.14 C ATOM 1389 CD2 TYR A 87 12.340 -26.534 13.957 1.00 24.43 C ATOM 1390 CE1 TYR A 87 9.777 -26.586 12.937 1.00 10.23 C ATOM 1391 CE2 TYR A 87 11.883 -25.480 13.191 1.00 41.22 C ATOM 1392 CZ TYR A 87 10.602 -25.510 12.683 1.00 73.33 C ATOM 1393 OH TYR A 87 10.144 -24.461 11.918 1.00 33.41 O ATOM 0 H TYR A 87 11.668 -27.536 17.162 1.00 13.33 H new ATOM 0 HA TYR A 87 10.037 -29.276 15.694 1.00 62.40 H new ATOM 0 HB2 TYR A 87 12.960 -28.485 15.558 1.00 41.24 H new ATOM 0 HB3 TYR A 87 12.273 -29.620 14.414 1.00 41.24 H new ATOM 0 HD1 TYR A 87 9.592 -28.478 13.902 1.00 4.14 H new ATOM 0 HD2 TYR A 87 13.345 -26.506 14.352 1.00 24.43 H new ATOM 0 HE1 TYR A 87 8.774 -26.607 12.538 1.00 10.23 H new ATOM 0 HE2 TYR A 87 12.526 -24.636 12.991 1.00 41.22 H new ATOM 0 HH TYR A 87 10.583 -23.632 12.203 1.00 33.41 H new ATOM 1403 N MET A 88 11.370 -31.606 15.674 1.00 30.33 N ATOM 1404 CA MET A 88 11.696 -32.990 15.993 1.00 15.53 C ATOM 1405 C MET A 88 11.946 -33.797 14.723 1.00 10.42 C ATOM 1406 O MET A 88 11.369 -33.514 13.672 1.00 24.25 O ATOM 1407 CB MET A 88 10.566 -33.630 16.802 1.00 14.22 C ATOM 1408 CG MET A 88 10.852 -35.063 17.219 1.00 4.24 C ATOM 1409 SD MET A 88 12.309 -35.203 18.273 1.00 21.05 S ATOM 1410 CE MET A 88 11.902 -34.035 19.569 1.00 34.51 C ATOM 0 H MET A 88 11.127 -31.444 14.697 1.00 30.33 H new ATOM 0 HA MET A 88 12.608 -32.993 16.590 1.00 15.53 H new ATOM 0 HB2 MET A 88 10.384 -33.030 17.694 1.00 14.22 H new ATOM 0 HB3 MET A 88 9.650 -33.608 16.211 1.00 14.22 H new ATOM 0 HG2 MET A 88 9.987 -35.463 17.747 1.00 4.24 H new ATOM 0 HG3 MET A 88 10.993 -35.675 16.328 1.00 4.24 H new ATOM 0 HE1 MET A 88 12.405 -34.325 20.492 1.00 34.51 H new ATOM 0 HE2 MET A 88 12.229 -33.038 19.276 1.00 34.51 H new ATOM 0 HE3 MET A 88 10.824 -34.030 19.729 1.00 34.51 H new ATOM 1420 N VAL A 89 12.810 -34.802 14.824 1.00 2.14 N ATOM 1421 CA VAL A 89 13.135 -35.649 13.683 1.00 32.25 C ATOM 1422 C VAL A 89 11.873 -36.191 13.025 1.00 31.51 C ATOM 1423 O VAL A 89 11.071 -36.874 13.661 1.00 22.02 O ATOM 1424 CB VAL A 89 14.032 -36.830 14.100 1.00 43.25 C ATOM 1425 CG1 VAL A 89 14.393 -37.678 12.890 1.00 5.33 C ATOM 1426 CG2 VAL A 89 15.285 -36.326 14.801 1.00 64.13 C ATOM 0 H VAL A 89 13.298 -35.049 15.685 1.00 2.14 H new ATOM 0 HA VAL A 89 13.674 -35.027 12.969 1.00 32.25 H new ATOM 0 HB VAL A 89 13.478 -37.455 14.801 1.00 43.25 H new ATOM 0 HG11 VAL A 89 15.027 -38.508 13.203 1.00 5.33 H new ATOM 0 HG12 VAL A 89 13.483 -38.069 12.435 1.00 5.33 H new ATOM 0 HG13 VAL A 89 14.928 -37.066 12.164 1.00 5.33 H new ATOM 0 HG21 VAL A 89 15.907 -37.174 15.089 1.00 64.13 H new ATOM 0 HG22 VAL A 89 15.844 -35.678 14.126 1.00 64.13 H new ATOM 0 HG23 VAL A 89 15.003 -35.764 15.692 1.00 64.13 H new ATOM 1436 N GLY A 90 11.702 -35.883 11.742 1.00 61.31 N ATOM 1437 CA GLY A 90 10.534 -36.348 11.016 1.00 5.34 C ATOM 1438 C GLY A 90 9.607 -35.215 10.623 1.00 73.20 C ATOM 1439 O GLY A 90 8.775 -35.368 9.729 1.00 73.05 O ATOM 0 H GLY A 90 12.352 -35.320 11.193 1.00 61.31 H new ATOM 0 HA2 GLY A 90 10.855 -36.879 10.119 1.00 5.34 H new ATOM 0 HA3 GLY A 90 9.988 -37.063 11.632 1.00 5.34 H new ATOM 1443 N ASP A 91 9.750 -34.077 11.292 1.00 14.12 N ATOM 1444 CA ASP A 91 8.918 -32.914 11.008 1.00 22.15 C ATOM 1445 C ASP A 91 9.514 -32.082 9.877 1.00 32.31 C ATOM 1446 O ASP A 91 10.543 -32.442 9.304 1.00 53.31 O ATOM 1447 CB ASP A 91 8.761 -32.053 12.263 1.00 12.13 C ATOM 1448 CG ASP A 91 7.370 -31.467 12.393 1.00 44.21 C ATOM 1449 OD1 ASP A 91 6.420 -32.241 12.635 1.00 10.52 O1- ATOM 1450 OD2 ASP A 91 7.229 -30.234 12.252 1.00 3.14 O ATOM 0 H ASP A 91 10.434 -33.935 12.035 1.00 14.12 H new ATOM 0 HA ASP A 91 7.936 -33.269 10.695 1.00 22.15 H new ATOM 0 HB2 ASP A 91 8.982 -32.656 13.144 1.00 12.13 H new ATOM 0 HB3 ASP A 91 9.492 -31.245 12.239 1.00 12.13 H new ATOM 1455 N VAL A 92 8.860 -30.969 9.559 1.00 31.51 N ATOM 1456 CA VAL A 92 9.325 -30.087 8.496 1.00 42.33 C ATOM 1457 C VAL A 92 9.543 -28.670 9.015 1.00 75.52 C ATOM 1458 O VAL A 92 8.811 -28.195 9.883 1.00 53.31 O ATOM 1459 CB VAL A 92 8.328 -30.044 7.324 1.00 41.12 C ATOM 1460 CG1 VAL A 92 8.398 -31.332 6.516 1.00 55.14 C ATOM 1461 CG2 VAL A 92 6.915 -29.804 7.835 1.00 61.45 C ATOM 0 H VAL A 92 8.007 -30.657 10.023 1.00 31.51 H new ATOM 0 HA VAL A 92 10.273 -30.492 8.141 1.00 42.33 H new ATOM 0 HB VAL A 92 8.600 -29.216 6.669 1.00 41.12 H new ATOM 0 HG11 VAL A 92 7.686 -31.284 5.692 1.00 55.14 H new ATOM 0 HG12 VAL A 92 9.405 -31.458 6.119 1.00 55.14 H new ATOM 0 HG13 VAL A 92 8.153 -32.178 7.158 1.00 55.14 H new ATOM 0 HG21 VAL A 92 6.223 -29.777 6.993 1.00 61.45 H new ATOM 0 HG22 VAL A 92 6.631 -30.610 8.512 1.00 61.45 H new ATOM 0 HG23 VAL A 92 6.877 -28.853 8.367 1.00 61.45 H new ATOM 1471 N VAL A 93 10.555 -27.997 8.475 1.00 53.22 N ATOM 1472 CA VAL A 93 10.868 -26.632 8.882 1.00 1.40 C ATOM 1473 C VAL A 93 10.875 -25.690 7.684 1.00 13.54 C ATOM 1474 O VAL A 93 11.292 -26.066 6.588 1.00 42.32 O ATOM 1475 CB VAL A 93 12.235 -26.558 9.588 1.00 33.33 C ATOM 1476 CG1 VAL A 93 13.326 -27.142 8.703 1.00 2.00 C ATOM 1477 CG2 VAL A 93 12.560 -25.121 9.969 1.00 1.50 C ATOM 0 H VAL A 93 11.171 -28.375 7.755 1.00 53.22 H new ATOM 0 HA VAL A 93 10.090 -26.322 9.579 1.00 1.40 H new ATOM 0 HB VAL A 93 12.185 -27.151 10.501 1.00 33.33 H new ATOM 0 HG11 VAL A 93 14.284 -27.081 9.219 1.00 2.00 H new ATOM 0 HG12 VAL A 93 13.098 -28.185 8.484 1.00 2.00 H new ATOM 0 HG13 VAL A 93 13.379 -26.579 7.771 1.00 2.00 H new ATOM 0 HG21 VAL A 93 13.529 -25.087 10.467 1.00 1.50 H new ATOM 0 HG22 VAL A 93 12.592 -24.505 9.071 1.00 1.50 H new ATOM 0 HG23 VAL A 93 11.792 -24.741 10.643 1.00 1.50 H new ATOM 1487 N GLU A 94 10.410 -24.463 7.900 1.00 63.33 N ATOM 1488 CA GLU A 94 10.364 -23.467 6.837 1.00 13.04 C ATOM 1489 C GLU A 94 11.338 -22.325 7.116 1.00 14.14 C ATOM 1490 O GLU A 94 11.398 -21.806 8.231 1.00 22.33 O ATOM 1491 CB GLU A 94 8.944 -22.915 6.688 1.00 72.23 C ATOM 1492 CG GLU A 94 8.160 -23.550 5.552 1.00 51.42 C ATOM 1493 CD GLU A 94 6.660 -23.420 5.734 1.00 45.35 C ATOM 1494 OE1 GLU A 94 6.123 -24.030 6.683 1.00 3.23 O ATOM 1495 OE2 GLU A 94 6.022 -22.711 4.928 1.00 11.44 O1- ATOM 0 H GLU A 94 10.060 -24.136 8.801 1.00 63.33 H new ATOM 0 HA GLU A 94 10.659 -23.953 5.907 1.00 13.04 H new ATOM 0 HB2 GLU A 94 8.403 -23.069 7.622 1.00 72.23 H new ATOM 0 HB3 GLU A 94 8.997 -21.839 6.524 1.00 72.23 H new ATOM 0 HG2 GLU A 94 8.450 -23.084 4.610 1.00 51.42 H new ATOM 0 HG3 GLU A 94 8.423 -24.605 5.479 1.00 51.42 H new ATOM 1502 N ILE A 95 12.097 -21.942 6.096 1.00 43.41 N ATOM 1503 CA ILE A 95 13.069 -20.863 6.231 1.00 24.11 C ATOM 1504 C ILE A 95 12.911 -19.838 5.113 1.00 51.42 C ATOM 1505 O ILE A 95 12.723 -20.198 3.952 1.00 43.44 O ATOM 1506 CB ILE A 95 14.512 -21.400 6.221 1.00 24.30 C ATOM 1507 CG1 ILE A 95 14.635 -22.612 7.146 1.00 21.22 C ATOM 1508 CG2 ILE A 95 15.487 -20.308 6.638 1.00 24.14 C ATOM 1509 CD1 ILE A 95 14.379 -23.931 6.451 1.00 4.40 C ATOM 0 H ILE A 95 12.058 -22.362 5.167 1.00 43.41 H new ATOM 0 HA ILE A 95 12.876 -20.383 7.190 1.00 24.11 H new ATOM 0 HB ILE A 95 14.760 -21.714 5.207 1.00 24.30 H new ATOM 0 HG12 ILE A 95 15.635 -22.627 7.580 1.00 21.22 H new ATOM 0 HG13 ILE A 95 13.931 -22.502 7.971 1.00 21.22 H new ATOM 0 HG21 ILE A 95 16.503 -20.703 6.626 1.00 24.14 H new ATOM 0 HG22 ILE A 95 15.415 -19.471 5.943 1.00 24.14 H new ATOM 0 HG23 ILE A 95 15.242 -19.967 7.644 1.00 24.14 H new ATOM 0 HD11 ILE A 95 14.483 -24.746 7.167 1.00 4.40 H new ATOM 0 HD12 ILE A 95 13.369 -23.936 6.040 1.00 4.40 H new ATOM 0 HD13 ILE A 95 15.100 -24.063 5.644 1.00 4.40 H new ATOM 1521 N GLU A 96 12.991 -18.560 5.473 1.00 15.41 N ATOM 1522 CA GLU A 96 12.858 -17.484 4.499 1.00 4.20 C ATOM 1523 C GLU A 96 13.823 -17.683 3.334 1.00 3.25 C ATOM 1524 O GLU A 96 15.040 -17.730 3.521 1.00 21.32 O ATOM 1525 CB GLU A 96 13.116 -16.130 5.164 1.00 33.11 C ATOM 1526 CG GLU A 96 14.361 -16.107 6.035 1.00 44.11 C ATOM 1527 CD GLU A 96 14.724 -14.709 6.497 1.00 24.12 C ATOM 1528 OE1 GLU A 96 14.623 -13.770 5.679 1.00 23.44 O1- ATOM 1529 OE2 GLU A 96 15.110 -14.553 7.674 1.00 64.34 O ATOM 0 H GLU A 96 13.147 -18.246 6.431 1.00 15.41 H new ATOM 0 HA GLU A 96 11.839 -17.502 4.112 1.00 4.20 H new ATOM 0 HB2 GLU A 96 13.209 -15.367 4.391 1.00 33.11 H new ATOM 0 HB3 GLU A 96 12.252 -15.863 5.773 1.00 33.11 H new ATOM 0 HG2 GLU A 96 14.203 -16.744 6.905 1.00 44.11 H new ATOM 0 HG3 GLU A 96 15.197 -16.530 5.478 1.00 44.11 H new ATOM 1536 N VAL A 97 13.271 -17.799 2.129 1.00 52.41 N ATOM 1537 CA VAL A 97 14.082 -17.991 0.933 1.00 41.24 C ATOM 1538 C VAL A 97 13.623 -17.075 -0.195 1.00 64.02 C ATOM 1539 O VAL A 97 14.022 -17.243 -1.348 1.00 40.42 O ATOM 1540 CB VAL A 97 14.027 -19.452 0.448 1.00 14.31 C ATOM 1541 CG1 VAL A 97 12.690 -19.745 -0.216 1.00 41.13 C ATOM 1542 CG2 VAL A 97 15.179 -19.740 -0.503 1.00 14.33 C ATOM 0 H VAL A 97 12.266 -17.763 1.956 1.00 52.41 H new ATOM 0 HA VAL A 97 15.109 -17.743 1.203 1.00 41.24 H new ATOM 0 HB VAL A 97 14.127 -20.108 1.313 1.00 14.31 H new ATOM 0 HG11 VAL A 97 12.670 -20.782 -0.552 1.00 41.13 H new ATOM 0 HG12 VAL A 97 11.884 -19.580 0.500 1.00 41.13 H new ATOM 0 HG13 VAL A 97 12.556 -19.084 -1.072 1.00 41.13 H new ATOM 0 HG21 VAL A 97 15.125 -20.776 -0.836 1.00 14.33 H new ATOM 0 HG22 VAL A 97 15.113 -19.077 -1.366 1.00 14.33 H new ATOM 0 HG23 VAL A 97 16.126 -19.573 0.011 1.00 14.33 H new ATOM 1552 N THR A 98 12.782 -16.103 0.144 1.00 74.11 N ATOM 1553 CA THR A 98 12.267 -15.160 -0.840 1.00 21.42 C ATOM 1554 C THR A 98 13.301 -14.089 -1.169 1.00 23.55 C ATOM 1555 O THR A 98 14.042 -13.621 -0.304 1.00 72.05 O ATOM 1556 CB THR A 98 10.978 -14.478 -0.344 1.00 64.13 C ATOM 1557 OG1 THR A 98 10.567 -13.470 -1.275 1.00 65.23 O ATOM 1558 CG2 THR A 98 11.190 -13.852 1.026 1.00 33.24 C ATOM 0 H THR A 98 12.443 -15.949 1.094 1.00 74.11 H new ATOM 0 HA THR A 98 12.043 -15.733 -1.740 1.00 21.42 H new ATOM 0 HB THR A 98 10.200 -15.237 -0.264 1.00 64.13 H new ATOM 0 HG1 THR A 98 9.797 -13.793 -1.788 1.00 65.23 H new ATOM 0 HG21 THR A 98 10.266 -13.376 1.356 1.00 33.24 H new ATOM 0 HG22 THR A 98 11.474 -14.625 1.739 1.00 33.24 H new ATOM 0 HG23 THR A 98 11.981 -13.105 0.966 1.00 33.24 H new ATOM 1566 N PRO A 99 13.356 -13.690 -2.448 1.00 61.42 N ATOM 1567 CA PRO A 99 14.295 -12.669 -2.920 1.00 22.35 C ATOM 1568 C PRO A 99 13.948 -11.278 -2.399 1.00 21.13 C ATOM 1569 O PRO A 99 12.811 -11.016 -2.007 1.00 4.33 O ATOM 1570 CB PRO A 99 14.143 -12.722 -4.442 1.00 33.45 C ATOM 1571 CG PRO A 99 12.769 -13.255 -4.667 1.00 23.31 C ATOM 1572 CD PRO A 99 12.503 -14.205 -3.533 1.00 75.43 C ATOM 0 HA PRO A 99 15.311 -12.858 -2.573 1.00 22.35 H new ATOM 0 HB2 PRO A 99 14.262 -11.734 -4.886 1.00 33.45 H new ATOM 0 HB3 PRO A 99 14.897 -13.367 -4.893 1.00 33.45 H new ATOM 0 HG2 PRO A 99 12.035 -12.449 -4.681 1.00 23.31 H new ATOM 0 HG3 PRO A 99 12.701 -13.765 -5.628 1.00 23.31 H new ATOM 0 HD2 PRO A 99 11.450 -14.208 -3.250 1.00 75.43 H new ATOM 0 HD3 PRO A 99 12.764 -15.230 -3.798 1.00 75.43 H new ATOM 1580 N LYS A 100 14.937 -10.389 -2.397 1.00 1.34 N ATOM 1581 CA LYS A 100 14.737 -9.024 -1.926 1.00 31.23 C ATOM 1582 C LYS A 100 13.974 -8.198 -2.957 1.00 11.53 C ATOM 1583 O LYS A 100 13.617 -7.047 -2.704 1.00 43.02 O ATOM 1584 CB LYS A 100 16.085 -8.364 -1.624 1.00 14.02 C ATOM 1585 CG LYS A 100 15.986 -7.186 -0.671 1.00 13.24 C ATOM 1586 CD LYS A 100 15.773 -7.644 0.762 1.00 51.30 C ATOM 1587 CE LYS A 100 17.082 -8.069 1.411 1.00 60.13 C ATOM 1588 NZ LYS A 100 16.913 -8.361 2.861 1.00 62.04 N1+ ATOM 0 H LYS A 100 15.885 -10.590 -2.716 1.00 1.34 H new ATOM 0 HA LYS A 100 14.146 -9.065 -1.011 1.00 31.23 H new ATOM 0 HB2 LYS A 100 16.757 -9.109 -1.199 1.00 14.02 H new ATOM 0 HB3 LYS A 100 16.533 -8.027 -2.559 1.00 14.02 H new ATOM 0 HG2 LYS A 100 16.897 -6.590 -0.732 1.00 13.24 H new ATOM 0 HG3 LYS A 100 15.162 -6.540 -0.974 1.00 13.24 H new ATOM 0 HD2 LYS A 100 15.324 -6.837 1.340 1.00 51.30 H new ATOM 0 HD3 LYS A 100 15.070 -8.477 0.778 1.00 51.30 H new ATOM 0 HE2 LYS A 100 17.468 -8.954 0.905 1.00 60.13 H new ATOM 0 HE3 LYS A 100 17.823 -7.280 1.283 1.00 60.13 H new ATOM 0 HZ1 LYS A 100 17.827 -8.647 3.266 1.00 62.04 H new ATOM 0 HZ2 LYS A 100 16.569 -7.509 3.349 1.00 62.04 H new ATOM 0 HZ3 LYS A 100 16.225 -9.131 2.982 1.00 62.04 H new ATOM 1602 N ASP A 101 13.727 -8.793 -4.118 1.00 23.32 N ATOM 1603 CA ASP A 101 13.004 -8.113 -5.187 1.00 41.13 C ATOM 1604 C ASP A 101 11.606 -8.700 -5.356 1.00 43.12 C ATOM 1605 O ASP A 101 10.878 -8.340 -6.281 1.00 15.43 O ATOM 1606 CB ASP A 101 13.777 -8.219 -6.502 1.00 64.01 C ATOM 1607 CG ASP A 101 13.314 -7.205 -7.529 1.00 62.02 C ATOM 1608 OD1 ASP A 101 12.731 -6.176 -7.127 1.00 24.30 O1- ATOM 1609 OD2 ASP A 101 13.534 -7.440 -8.736 1.00 12.30 O ATOM 0 H ASP A 101 14.016 -9.745 -4.344 1.00 23.32 H new ATOM 0 HA ASP A 101 12.907 -7.062 -4.915 1.00 41.13 H new ATOM 0 HB2 ASP A 101 14.840 -8.076 -6.308 1.00 64.01 H new ATOM 0 HB3 ASP A 101 13.660 -9.223 -6.909 1.00 64.01 H new ATOM 1614 N PHE A 102 11.238 -9.606 -4.456 1.00 61.52 N ATOM 1615 CA PHE A 102 9.928 -10.244 -4.506 1.00 41.25 C ATOM 1616 C PHE A 102 8.822 -9.246 -4.173 1.00 61.03 C ATOM 1617 O PHE A 102 7.659 -9.453 -4.517 1.00 73.03 O ATOM 1618 CB PHE A 102 9.873 -11.425 -3.534 1.00 42.23 C ATOM 1619 CG PHE A 102 9.229 -12.651 -4.115 1.00 43.43 C ATOM 1620 CD1 PHE A 102 9.662 -13.171 -5.324 1.00 34.02 C ATOM 1621 CD2 PHE A 102 8.190 -13.283 -3.451 1.00 61.34 C ATOM 1622 CE1 PHE A 102 9.070 -14.298 -5.860 1.00 50.23 C ATOM 1623 CE2 PHE A 102 7.594 -14.412 -3.983 1.00 54.01 C ATOM 1624 CZ PHE A 102 8.036 -14.920 -5.189 1.00 15.23 C ATOM 0 H PHE A 102 11.828 -9.915 -3.684 1.00 61.52 H new ATOM 0 HA PHE A 102 9.770 -10.610 -5.521 1.00 41.25 H new ATOM 0 HB2 PHE A 102 10.886 -11.672 -3.218 1.00 42.23 H new ATOM 0 HB3 PHE A 102 9.325 -11.125 -2.641 1.00 42.23 H new ATOM 0 HD1 PHE A 102 10.471 -12.690 -5.853 1.00 34.02 H new ATOM 0 HD2 PHE A 102 7.842 -12.890 -2.507 1.00 61.34 H new ATOM 0 HE1 PHE A 102 9.416 -14.693 -6.804 1.00 50.23 H new ATOM 0 HE2 PHE A 102 6.784 -14.896 -3.456 1.00 54.01 H new ATOM 0 HZ PHE A 102 7.574 -15.802 -5.606 1.00 15.23 H new ATOM 1634 N GLY A 103 9.196 -8.162 -3.500 1.00 33.20 N ATOM 1635 CA GLY A 103 8.226 -7.147 -3.131 1.00 14.33 C ATOM 1636 C GLY A 103 7.389 -6.689 -4.309 1.00 14.11 C ATOM 1637 O GLY A 103 6.160 -6.670 -4.235 1.00 52.21 O ATOM 0 H GLY A 103 10.153 -7.969 -3.204 1.00 33.20 H new ATOM 0 HA2 GLY A 103 7.570 -7.541 -2.355 1.00 14.33 H new ATOM 0 HA3 GLY A 103 8.746 -6.290 -2.704 1.00 14.33 H new ATOM 1641 N ARG A 104 8.054 -6.318 -5.398 1.00 11.41 N ATOM 1642 CA ARG A 104 7.363 -5.856 -6.595 1.00 21.11 C ATOM 1643 C ARG A 104 6.807 -7.033 -7.391 1.00 54.21 C ATOM 1644 O ARG A 104 5.725 -6.946 -7.973 1.00 35.02 O ATOM 1645 CB ARG A 104 8.310 -5.035 -7.472 1.00 50.22 C ATOM 1646 CG ARG A 104 8.581 -3.639 -6.936 1.00 72.45 C ATOM 1647 CD ARG A 104 9.768 -2.994 -7.634 1.00 22.14 C ATOM 1648 NE ARG A 104 9.390 -2.384 -8.906 1.00 50.51 N ATOM 1649 CZ ARG A 104 10.202 -1.612 -9.620 1.00 32.33 C ATOM 1650 NH1 ARG A 104 11.430 -1.358 -9.190 1.00 65.42 N1+ ATOM 1651 NH2 ARG A 104 9.785 -1.093 -10.768 1.00 63.54 N ATOM 0 H ARG A 104 9.071 -6.328 -5.476 1.00 11.41 H new ATOM 0 HA ARG A 104 6.530 -5.226 -6.282 1.00 21.11 H new ATOM 0 HB2 ARG A 104 9.256 -5.568 -7.568 1.00 50.22 H new ATOM 0 HB3 ARG A 104 7.886 -4.955 -8.473 1.00 50.22 H new ATOM 0 HG2 ARG A 104 7.696 -3.018 -7.073 1.00 72.45 H new ATOM 0 HG3 ARG A 104 8.772 -3.691 -5.864 1.00 72.45 H new ATOM 0 HD2 ARG A 104 10.203 -2.235 -6.983 1.00 22.14 H new ATOM 0 HD3 ARG A 104 10.539 -3.745 -7.807 1.00 22.14 H new ATOM 0 HE ARG A 104 8.452 -2.560 -9.266 1.00 50.51 H new ATOM 0 HH11 ARG A 104 11.754 -1.756 -8.308 1.00 65.42 H new ATOM 0 HH12 ARG A 104 12.051 -0.765 -9.741 1.00 65.42 H new ATOM 0 HH21 ARG A 104 8.841 -1.287 -11.102 1.00 63.54 H new ATOM 0 HH22 ARG A 104 10.408 -0.500 -11.316 1.00 63.54 H new ATOM 1665 N ILE A 105 7.555 -8.132 -7.413 1.00 74.15 N ATOM 1666 CA ILE A 105 7.136 -9.325 -8.137 1.00 51.42 C ATOM 1667 C ILE A 105 5.797 -9.840 -7.621 1.00 31.22 C ATOM 1668 O ILE A 105 4.963 -10.313 -8.393 1.00 32.23 O ATOM 1669 CB ILE A 105 8.184 -10.448 -8.023 1.00 41.53 C ATOM 1670 CG1 ILE A 105 9.528 -9.980 -8.584 1.00 71.02 C ATOM 1671 CG2 ILE A 105 7.705 -11.695 -8.752 1.00 4.21 C ATOM 1672 CD1 ILE A 105 10.676 -10.910 -8.254 1.00 51.01 C ATOM 0 H ILE A 105 8.453 -8.220 -6.938 1.00 74.15 H new ATOM 0 HA ILE A 105 7.033 -9.039 -9.184 1.00 51.42 H new ATOM 0 HB ILE A 105 8.317 -10.695 -6.970 1.00 41.53 H new ATOM 0 HG12 ILE A 105 9.448 -9.885 -9.667 1.00 71.02 H new ATOM 0 HG13 ILE A 105 9.751 -8.987 -8.192 1.00 71.02 H new ATOM 0 HG21 ILE A 105 8.456 -12.480 -8.663 1.00 4.21 H new ATOM 0 HG22 ILE A 105 6.769 -12.037 -8.311 1.00 4.21 H new ATOM 0 HG23 ILE A 105 7.547 -11.463 -9.805 1.00 4.21 H new ATOM 0 HD11 ILE A 105 11.598 -10.517 -8.683 1.00 51.01 H new ATOM 0 HD12 ILE A 105 10.783 -10.986 -7.172 1.00 51.01 H new ATOM 0 HD13 ILE A 105 10.475 -11.898 -8.669 1.00 51.01 H new ATOM 1684 N ALA A 106 5.597 -9.742 -6.311 1.00 52.13 N ATOM 1685 CA ALA A 106 4.357 -10.194 -5.692 1.00 0.32 C ATOM 1686 C ALA A 106 3.145 -9.552 -6.358 1.00 11.13 C ATOM 1687 O ALA A 106 2.204 -10.240 -6.752 1.00 42.22 O ATOM 1688 CB ALA A 106 4.368 -9.887 -4.202 1.00 60.32 C ATOM 0 H ALA A 106 6.278 -9.354 -5.658 1.00 52.13 H new ATOM 0 HA ALA A 106 4.284 -11.273 -5.828 1.00 0.32 H new ATOM 0 HB1 ALA A 106 3.436 -10.230 -3.753 1.00 60.32 H new ATOM 0 HB2 ALA A 106 5.207 -10.399 -3.731 1.00 60.32 H new ATOM 0 HB3 ALA A 106 4.469 -8.812 -4.053 1.00 60.32 H new ATOM 1694 N ALA A 107 3.174 -8.229 -6.479 1.00 54.24 N ATOM 1695 CA ALA A 107 2.078 -7.494 -7.099 1.00 40.42 C ATOM 1696 C ALA A 107 2.005 -7.776 -8.596 1.00 61.51 C ATOM 1697 O ALA A 107 0.934 -7.711 -9.197 1.00 62.23 O ATOM 1698 CB ALA A 107 2.235 -6.002 -6.848 1.00 41.43 C ATOM 0 H ALA A 107 3.945 -7.644 -6.156 1.00 54.24 H new ATOM 0 HA ALA A 107 1.145 -7.831 -6.647 1.00 40.42 H new ATOM 0 HB1 ALA A 107 1.410 -5.465 -7.316 1.00 41.43 H new ATOM 0 HB2 ALA A 107 2.229 -5.811 -5.775 1.00 41.43 H new ATOM 0 HB3 ALA A 107 3.178 -5.659 -7.273 1.00 41.43 H new ATOM 1704 N GLN A 108 3.153 -8.087 -9.191 1.00 63.24 N ATOM 1705 CA GLN A 108 3.218 -8.377 -10.618 1.00 24.31 C ATOM 1706 C GLN A 108 2.638 -9.755 -10.921 1.00 33.31 C ATOM 1707 O GLN A 108 2.089 -9.987 -12.000 1.00 5.33 O ATOM 1708 CB GLN A 108 4.664 -8.300 -11.111 1.00 74.24 C ATOM 1709 CG GLN A 108 4.811 -8.528 -12.607 1.00 10.13 C ATOM 1710 CD GLN A 108 6.195 -8.180 -13.117 1.00 34.33 C ATOM 1711 OE1 GLN A 108 6.428 -7.079 -13.616 1.00 30.11 O ATOM 1712 NE2 GLN A 108 7.125 -9.122 -12.994 1.00 30.20 N ATOM 0 H GLN A 108 4.049 -8.144 -8.707 1.00 63.24 H new ATOM 0 HA GLN A 108 2.623 -7.629 -11.142 1.00 24.31 H new ATOM 0 HB2 GLN A 108 5.073 -7.321 -10.859 1.00 74.24 H new ATOM 0 HB3 GLN A 108 5.260 -9.041 -10.579 1.00 74.24 H new ATOM 0 HG2 GLN A 108 4.596 -9.572 -12.834 1.00 10.13 H new ATOM 0 HG3 GLN A 108 4.071 -7.928 -13.137 1.00 10.13 H new ATOM 0 HE21 GLN A 108 6.888 -10.021 -12.574 1.00 30.20 H new ATOM 0 HE22 GLN A 108 8.075 -8.946 -13.320 1.00 30.20 H new ATOM 1721 N THR A 109 2.763 -10.668 -9.964 1.00 14.35 N ATOM 1722 CA THR A 109 2.253 -12.024 -10.128 1.00 1.22 C ATOM 1723 C THR A 109 0.774 -12.101 -9.771 1.00 5.53 C ATOM 1724 O THR A 109 0.047 -12.955 -10.280 1.00 22.25 O ATOM 1725 CB THR A 109 3.034 -13.027 -9.257 1.00 63.33 C ATOM 1726 OG1 THR A 109 4.429 -12.703 -9.266 1.00 62.10 O ATOM 1727 CG2 THR A 109 2.834 -14.448 -9.760 1.00 43.12 C ATOM 0 H THR A 109 3.214 -10.493 -9.066 1.00 14.35 H new ATOM 0 HA THR A 109 2.384 -12.287 -11.178 1.00 1.22 H new ATOM 0 HB THR A 109 2.655 -12.962 -8.237 1.00 63.33 H new ATOM 0 HG1 THR A 109 4.590 -11.935 -8.679 1.00 62.10 H new ATOM 0 HG21 THR A 109 3.394 -15.139 -9.130 1.00 43.12 H new ATOM 0 HG22 THR A 109 1.774 -14.701 -9.723 1.00 43.12 H new ATOM 0 HG23 THR A 109 3.190 -14.524 -10.788 1.00 43.12 H new ATOM 1735 N ALA A 110 0.333 -11.204 -8.895 1.00 1.34 N ATOM 1736 CA ALA A 110 -1.062 -11.170 -8.473 1.00 65.20 C ATOM 1737 C ALA A 110 -1.947 -10.555 -9.552 1.00 34.15 C ATOM 1738 O ALA A 110 -3.104 -10.943 -9.716 1.00 63.40 O ATOM 1739 CB ALA A 110 -1.200 -10.396 -7.170 1.00 42.13 C ATOM 0 H ALA A 110 0.922 -10.491 -8.464 1.00 1.34 H new ATOM 0 HA ALA A 110 -1.392 -12.196 -8.310 1.00 65.20 H new ATOM 0 HB1 ALA A 110 -2.247 -10.378 -6.866 1.00 42.13 H new ATOM 0 HB2 ALA A 110 -0.605 -10.879 -6.395 1.00 42.13 H new ATOM 0 HB3 ALA A 110 -0.847 -9.375 -7.314 1.00 42.13 H new ATOM 1745 N LYS A 111 -1.397 -9.595 -10.286 1.00 4.43 N ATOM 1746 CA LYS A 111 -2.135 -8.926 -11.351 1.00 13.33 C ATOM 1747 C LYS A 111 -2.380 -9.873 -12.521 1.00 33.32 C ATOM 1748 O LYS A 111 -3.423 -9.813 -13.172 1.00 3.05 O ATOM 1749 CB LYS A 111 -1.371 -7.690 -11.832 1.00 20.42 C ATOM 1750 CG LYS A 111 0.048 -7.989 -12.280 1.00 74.20 C ATOM 1751 CD LYS A 111 0.518 -7.007 -13.340 1.00 34.11 C ATOM 1752 CE LYS A 111 0.516 -5.579 -12.816 1.00 74.34 C ATOM 1753 NZ LYS A 111 1.231 -4.650 -13.734 1.00 63.44 N1+ ATOM 0 H LYS A 111 -0.441 -9.262 -10.163 1.00 4.43 H new ATOM 0 HA LYS A 111 -3.100 -8.615 -10.950 1.00 13.33 H new ATOM 0 HB2 LYS A 111 -1.916 -7.235 -12.659 1.00 20.42 H new ATOM 0 HB3 LYS A 111 -1.342 -6.955 -11.027 1.00 20.42 H new ATOM 0 HG2 LYS A 111 0.718 -7.947 -11.421 1.00 74.20 H new ATOM 0 HG3 LYS A 111 0.099 -9.004 -12.675 1.00 74.20 H new ATOM 0 HD2 LYS A 111 1.523 -7.275 -13.666 1.00 34.11 H new ATOM 0 HD3 LYS A 111 -0.129 -7.076 -14.214 1.00 34.11 H new ATOM 0 HE2 LYS A 111 -0.512 -5.241 -12.686 1.00 74.34 H new ATOM 0 HE3 LYS A 111 0.987 -5.552 -11.833 1.00 74.34 H new ATOM 0 HZ1 LYS A 111 1.207 -3.687 -13.341 1.00 63.44 H new ATOM 0 HZ2 LYS A 111 2.219 -4.957 -13.838 1.00 63.44 H new ATOM 0 HZ3 LYS A 111 0.767 -4.656 -14.665 1.00 63.44 H new ATOM 1767 N GLN A 112 -1.412 -10.746 -12.782 1.00 52.54 N ATOM 1768 CA GLN A 112 -1.524 -11.706 -13.874 1.00 10.21 C ATOM 1769 C GLN A 112 -2.479 -12.838 -13.508 1.00 0.31 C ATOM 1770 O GLN A 112 -3.161 -13.391 -14.370 1.00 14.34 O ATOM 1771 CB GLN A 112 -0.148 -12.276 -14.224 1.00 41.41 C ATOM 1772 CG GLN A 112 0.525 -12.993 -13.065 1.00 33.01 C ATOM 1773 CD GLN A 112 1.783 -13.727 -13.485 1.00 31.12 C ATOM 1774 OE1 GLN A 112 1.992 -14.884 -13.119 1.00 53.14 O ATOM 1775 NE2 GLN A 112 2.629 -13.057 -14.258 1.00 73.33 N ATOM 0 H GLN A 112 -0.542 -10.808 -12.253 1.00 52.54 H new ATOM 0 HA GLN A 112 -1.924 -11.184 -14.743 1.00 10.21 H new ATOM 0 HB2 GLN A 112 -0.253 -12.970 -15.058 1.00 41.41 H new ATOM 0 HB3 GLN A 112 0.497 -11.465 -14.563 1.00 41.41 H new ATOM 0 HG2 GLN A 112 0.773 -12.269 -12.289 1.00 33.01 H new ATOM 0 HG3 GLN A 112 -0.176 -13.703 -12.626 1.00 33.01 H new ATOM 0 HE21 GLN A 112 2.416 -12.100 -14.537 1.00 73.33 H new ATOM 0 HE22 GLN A 112 3.492 -13.500 -14.573 1.00 73.33 H new ATOM 1784 N VAL A 113 -2.521 -13.178 -12.224 1.00 42.44 N ATOM 1785 CA VAL A 113 -3.391 -14.244 -11.743 1.00 53.54 C ATOM 1786 C VAL A 113 -4.847 -13.790 -11.706 1.00 33.44 C ATOM 1787 O VAL A 113 -5.720 -14.417 -12.306 1.00 10.35 O ATOM 1788 CB VAL A 113 -2.976 -14.717 -10.338 1.00 51.35 C ATOM 1789 CG1 VAL A 113 -3.999 -15.694 -9.780 1.00 52.31 C ATOM 1790 CG2 VAL A 113 -1.592 -15.346 -10.375 1.00 71.43 C ATOM 0 H VAL A 113 -1.962 -12.730 -11.498 1.00 42.44 H new ATOM 0 HA VAL A 113 -3.290 -15.075 -12.442 1.00 53.54 H new ATOM 0 HB VAL A 113 -2.939 -13.850 -9.678 1.00 51.35 H new ATOM 0 HG11 VAL A 113 -3.689 -16.018 -8.786 1.00 52.31 H new ATOM 0 HG12 VAL A 113 -4.971 -15.205 -9.716 1.00 52.31 H new ATOM 0 HG13 VAL A 113 -4.071 -16.560 -10.438 1.00 52.31 H new ATOM 0 HG21 VAL A 113 -1.315 -15.675 -9.373 1.00 71.43 H new ATOM 0 HG22 VAL A 113 -1.600 -16.203 -11.049 1.00 71.43 H new ATOM 0 HG23 VAL A 113 -0.868 -14.612 -10.729 1.00 71.43 H new ATOM 1800 N VAL A 114 -5.100 -12.694 -10.997 1.00 62.31 N ATOM 1801 CA VAL A 114 -6.450 -12.154 -10.883 1.00 44.31 C ATOM 1802 C VAL A 114 -7.052 -11.882 -12.256 1.00 24.40 C ATOM 1803 O VAL A 114 -8.243 -12.100 -12.480 1.00 43.44 O ATOM 1804 CB VAL A 114 -6.465 -10.852 -10.060 1.00 25.43 C ATOM 1805 CG1 VAL A 114 -6.033 -11.121 -8.627 1.00 75.53 C ATOM 1806 CG2 VAL A 114 -5.572 -9.804 -10.706 1.00 62.43 C ATOM 0 H VAL A 114 -4.389 -12.163 -10.494 1.00 62.31 H new ATOM 0 HA VAL A 114 -7.050 -12.906 -10.371 1.00 44.31 H new ATOM 0 HB VAL A 114 -7.484 -10.467 -10.041 1.00 25.43 H new ATOM 0 HG11 VAL A 114 -6.050 -10.190 -8.061 1.00 75.53 H new ATOM 0 HG12 VAL A 114 -6.716 -11.836 -8.169 1.00 75.53 H new ATOM 0 HG13 VAL A 114 -5.023 -11.530 -8.622 1.00 75.53 H new ATOM 0 HG21 VAL A 114 -5.594 -8.891 -10.112 1.00 62.43 H new ATOM 0 HG22 VAL A 114 -4.550 -10.179 -10.757 1.00 62.43 H new ATOM 0 HG23 VAL A 114 -5.931 -9.591 -11.713 1.00 62.43 H new ATOM 1816 N THR A 115 -6.219 -11.404 -13.177 1.00 11.13 N ATOM 1817 CA THR A 115 -6.669 -11.101 -14.529 1.00 33.11 C ATOM 1818 C THR A 115 -6.957 -12.376 -15.312 1.00 25.41 C ATOM 1819 O THR A 115 -7.798 -12.387 -16.211 1.00 0.53 O ATOM 1820 CB THR A 115 -5.623 -10.268 -15.295 1.00 14.23 C ATOM 1821 OG1 THR A 115 -5.416 -9.015 -14.634 1.00 20.24 O ATOM 1822 CG2 THR A 115 -6.071 -10.023 -16.728 1.00 72.31 C ATOM 0 H THR A 115 -5.230 -11.219 -13.010 1.00 11.13 H new ATOM 0 HA THR A 115 -7.587 -10.521 -14.434 1.00 33.11 H new ATOM 0 HB THR A 115 -4.688 -10.827 -15.314 1.00 14.23 H new ATOM 0 HG1 THR A 115 -4.957 -9.167 -13.781 1.00 20.24 H new ATOM 0 HG21 THR A 115 -5.317 -9.433 -17.249 1.00 72.31 H new ATOM 0 HG22 THR A 115 -6.200 -10.978 -17.237 1.00 72.31 H new ATOM 0 HG23 THR A 115 -7.017 -9.482 -16.726 1.00 72.31 H new ATOM 1830 N GLN A 116 -6.256 -13.451 -14.964 1.00 72.25 N ATOM 1831 CA GLN A 116 -6.437 -14.733 -15.635 1.00 54.01 C ATOM 1832 C GLN A 116 -7.776 -15.358 -15.258 1.00 61.15 C ATOM 1833 O GLN A 116 -8.552 -15.755 -16.127 1.00 62.10 O ATOM 1834 CB GLN A 116 -5.296 -15.686 -15.277 1.00 65.13 C ATOM 1835 CG GLN A 116 -4.059 -15.504 -16.140 1.00 43.44 C ATOM 1836 CD GLN A 116 -2.817 -16.110 -15.515 1.00 55.41 C ATOM 1837 OE1 GLN A 116 -1.759 -15.482 -15.474 1.00 43.23 O ATOM 1838 NE2 GLN A 116 -2.940 -17.338 -15.025 1.00 23.42 N ATOM 0 H GLN A 116 -5.557 -13.459 -14.221 1.00 72.25 H new ATOM 0 HA GLN A 116 -6.428 -14.557 -16.711 1.00 54.01 H new ATOM 0 HB2 GLN A 116 -5.025 -15.538 -14.232 1.00 65.13 H new ATOM 0 HB3 GLN A 116 -5.648 -16.713 -15.373 1.00 65.13 H new ATOM 0 HG2 GLN A 116 -4.230 -15.961 -17.115 1.00 43.44 H new ATOM 0 HG3 GLN A 116 -3.893 -14.440 -16.311 1.00 43.44 H new ATOM 0 HE21 GLN A 116 -3.836 -17.822 -15.080 1.00 23.42 H new ATOM 0 HE22 GLN A 116 -2.138 -17.797 -14.593 1.00 23.42 H new ATOM 1847 N ARG A 117 -8.040 -15.444 -13.958 1.00 54.30 N ATOM 1848 CA ARG A 117 -9.284 -16.023 -13.467 1.00 0.51 C ATOM 1849 C ARG A 117 -10.491 -15.325 -14.087 1.00 2.44 C ATOM 1850 O ARG A 117 -11.553 -15.925 -14.247 1.00 12.00 O ATOM 1851 CB ARG A 117 -9.351 -15.923 -11.943 1.00 31.12 C ATOM 1852 CG ARG A 117 -8.159 -16.549 -11.237 1.00 40.43 C ATOM 1853 CD ARG A 117 -8.216 -18.068 -11.289 1.00 72.54 C ATOM 1854 NE ARG A 117 -9.470 -18.587 -10.750 1.00 64.15 N ATOM 1855 CZ ARG A 117 -9.779 -19.879 -10.722 1.00 13.24 C ATOM 1856 NH1 ARG A 117 -8.930 -20.778 -11.200 1.00 21.13 N1+ ATOM 1857 NH2 ARG A 117 -10.940 -20.273 -10.214 1.00 63.20 N ATOM 0 H ARG A 117 -7.408 -15.120 -13.226 1.00 54.30 H new ATOM 0 HA ARG A 117 -9.305 -17.074 -13.757 1.00 0.51 H new ATOM 0 HB2 ARG A 117 -9.420 -14.873 -11.659 1.00 31.12 H new ATOM 0 HB3 ARG A 117 -10.263 -16.408 -11.596 1.00 31.12 H new ATOM 0 HG2 ARG A 117 -7.236 -16.202 -11.702 1.00 40.43 H new ATOM 0 HG3 ARG A 117 -8.136 -16.220 -10.198 1.00 40.43 H new ATOM 0 HD2 ARG A 117 -8.100 -18.400 -12.321 1.00 72.54 H new ATOM 0 HD3 ARG A 117 -7.380 -18.482 -10.725 1.00 72.54 H new ATOM 0 HE ARG A 117 -10.146 -17.921 -10.375 1.00 64.15 H new ATOM 0 HH11 ARG A 117 -8.037 -20.479 -11.591 1.00 21.13 H new ATOM 0 HH12 ARG A 117 -9.170 -21.769 -11.177 1.00 21.13 H new ATOM 0 HH21 ARG A 117 -11.595 -19.584 -9.845 1.00 63.20 H new ATOM 0 HH22 ARG A 117 -11.177 -21.265 -10.193 1.00 63.20 H new ATOM 1871 N VAL A 118 -10.319 -14.054 -14.435 1.00 41.12 N ATOM 1872 CA VAL A 118 -11.392 -13.275 -15.039 1.00 4.21 C ATOM 1873 C VAL A 118 -11.861 -13.903 -16.346 1.00 14.31 C ATOM 1874 O VAL A 118 -13.058 -14.093 -16.561 1.00 21.50 O ATOM 1875 CB VAL A 118 -10.949 -11.824 -15.309 1.00 24.22 C ATOM 1876 CG1 VAL A 118 -12.076 -11.034 -15.958 1.00 62.13 C ATOM 1877 CG2 VAL A 118 -10.494 -11.158 -14.020 1.00 2.43 C ATOM 0 H VAL A 118 -9.446 -13.542 -14.309 1.00 41.12 H new ATOM 0 HA VAL A 118 -12.217 -13.269 -14.327 1.00 4.21 H new ATOM 0 HB VAL A 118 -10.106 -11.842 -15.999 1.00 24.22 H new ATOM 0 HG11 VAL A 118 -11.745 -10.012 -16.141 1.00 62.13 H new ATOM 0 HG12 VAL A 118 -12.351 -11.502 -16.904 1.00 62.13 H new ATOM 0 HG13 VAL A 118 -12.941 -11.022 -15.295 1.00 62.13 H new ATOM 0 HG21 VAL A 118 -10.185 -10.134 -14.229 1.00 2.43 H new ATOM 0 HG22 VAL A 118 -11.316 -11.150 -13.305 1.00 2.43 H new ATOM 0 HG23 VAL A 118 -9.654 -11.712 -13.601 1.00 2.43 H new