USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 526 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 LYS NZ :NH3+ -145:sc= -2.59! (180deg=-3.18!) USER MOD Set 1.2: A 70 THR OG1 : rot 77:sc= -0.284 USER MOD Set 2.1: A 35 THR OG1 : rot 176:sc= -0.687! USER MOD Set 2.2: A 52 TYR OH : rot 180:sc=-0.00407 USER MOD Set 3.1: A 5 THR OG1 : rot 180:sc= 0.0148 USER MOD Set 3.2: A 6 ASN :FLIP amide:sc= -1.52! F(o=-2.4,f=-1.5!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.034) USER MOD Single : A 11 TYR OH : rot -78:sc= 1.08 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -120:sc= -0.185 USER MOD Single : A 20 MET CE :methyl 170:sc= -0.059 (180deg=-0.152) USER MOD Single : A 22 TYR OH : rot 54:sc= -1.14 USER MOD Single : A 27 ASN : amide:sc= -0.0957 X(o=-0.096,f=-0.16) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.107) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -150:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= -5.88! USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 177:sc= 0.201! (180deg=0.103!) USER MOD Single : A 51 GLN : amide:sc= -0.757 X(o=-0.76,f=-0.38) USER MOD Single : A 54 ASN : amide:sc= -0.609 X(o=-0.61,f=-0.26) USER MOD Single : A 56 ASN :FLIP amide:sc= -2.75 F(o=-7.4!,f=-2.8) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 173:sc= -0.223 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0947 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N TYR A 2 0.442 -1.528 -2.698 1.00 22.43 N ATOM 12 CA TYR A 2 -0.037 -2.435 -3.727 1.00 34.21 C ATOM 13 C TYR A 2 1.078 -2.784 -4.714 1.00 45.30 C ATOM 14 O TYR A 2 2.040 -2.031 -4.860 1.00 63.12 O ATOM 15 CB TYR A 2 -1.143 -1.683 -4.470 1.00 42.52 C ATOM 16 CG TYR A 2 -2.505 -1.731 -3.774 1.00 45.44 C ATOM 17 CD1 TYR A 2 -2.963 -2.916 -3.237 1.00 12.14 C ATOM 18 CD2 TYR A 2 -3.274 -0.588 -3.685 1.00 33.53 C ATOM 19 CE1 TYR A 2 -4.245 -2.961 -2.582 1.00 21.13 C ATOM 20 CE2 TYR A 2 -4.556 -0.634 -3.030 1.00 10.32 C ATOM 21 CZ TYR A 2 -4.978 -1.818 -2.511 1.00 11.23 C ATOM 22 OH TYR A 2 -6.189 -1.860 -1.892 1.00 64.43 O ATOM 0 HA TYR A 2 -0.389 -3.366 -3.283 1.00 34.21 H new ATOM 0 HB2 TYR A 2 -0.844 -0.642 -4.588 1.00 42.52 H new ATOM 0 HB3 TYR A 2 -1.243 -2.102 -5.471 1.00 42.52 H new ATOM 0 HD1 TYR A 2 -2.361 -3.810 -3.308 1.00 12.14 H new ATOM 0 HD2 TYR A 2 -2.915 0.339 -4.106 1.00 33.53 H new ATOM 0 HE1 TYR A 2 -4.616 -3.882 -2.157 1.00 21.13 H new ATOM 0 HE2 TYR A 2 -5.169 0.252 -2.953 1.00 10.32 H new ATOM 0 HH TYR A 2 -6.600 -0.970 -1.916 1.00 64.43 H new ATOM 32 N VAL A 3 0.913 -3.925 -5.366 1.00 30.21 N ATOM 33 CA VAL A 3 1.894 -4.383 -6.335 1.00 2.30 C ATOM 34 C VAL A 3 1.177 -4.810 -7.617 1.00 64.42 C ATOM 35 O VAL A 3 0.162 -5.477 -7.630 1.00 34.41 O ATOM 36 CB VAL A 3 2.749 -5.497 -5.728 1.00 2.01 C ATOM 37 CG1 VAL A 3 3.306 -6.416 -6.817 1.00 41.11 C ATOM 38 CG2 VAL A 3 3.876 -4.918 -4.870 1.00 12.11 C ATOM 0 H VAL A 3 0.114 -4.547 -5.242 1.00 30.21 H new ATOM 0 HA VAL A 3 2.577 -3.575 -6.598 1.00 2.30 H new ATOM 0 HB VAL A 3 2.108 -6.095 -5.080 1.00 2.01 H new ATOM 0 HG11 VAL A 3 3.910 -7.199 -6.358 1.00 41.11 H new ATOM 0 HG12 VAL A 3 2.482 -6.869 -7.367 1.00 41.11 H new ATOM 0 HG13 VAL A 3 3.924 -5.835 -7.502 1.00 41.11 H new ATOM 0 HG21 VAL A 3 4.468 -5.731 -4.451 1.00 12.11 H new ATOM 0 HG22 VAL A 3 4.514 -4.285 -5.486 1.00 12.11 H new ATOM 0 HG23 VAL A 3 3.449 -4.325 -4.061 1.00 12.11 H new ATOM 48 N ASP A 4 1.737 -4.405 -8.723 1.00 64.03 N ATOM 49 CA ASP A 4 1.138 -4.762 -10.040 1.00 42.52 C ATOM 50 C ASP A 4 1.894 -5.944 -10.656 1.00 54.23 C ATOM 51 O ASP A 4 3.106 -6.016 -10.463 1.00 42.32 O ATOM 52 CB ASP A 4 1.305 -3.510 -10.903 1.00 13.24 C ATOM 53 CG ASP A 4 0.738 -3.771 -12.299 1.00 30.51 C ATOM 54 OD1 ASP A 4 0.198 -4.846 -12.506 1.00 53.04 O ATOM 55 OD2 ASP A 4 0.854 -2.894 -13.139 1.00 64.53 O ATOM 0 H ASP A 4 2.585 -3.841 -8.772 1.00 64.03 H new ATOM 0 HA ASP A 4 0.093 -5.060 -9.954 1.00 42.52 H new ATOM 0 HB2 ASP A 4 0.790 -2.667 -10.442 1.00 13.24 H new ATOM 0 HB3 ASP A 4 2.359 -3.241 -10.972 1.00 13.24 H new ATOM 60 N THR A 5 1.192 -6.822 -11.358 1.00 0.22 N ATOM 61 CA THR A 5 1.832 -7.974 -11.970 1.00 44.51 C ATOM 62 C THR A 5 1.962 -7.771 -13.481 1.00 1.10 C ATOM 63 O THR A 5 2.242 -8.717 -14.216 1.00 51.30 O ATOM 64 CB THR A 5 1.028 -9.219 -11.591 1.00 4.32 C ATOM 65 OG1 THR A 5 -0.291 -8.933 -12.048 1.00 3.34 O ATOM 66 CG2 THR A 5 0.872 -9.376 -10.077 1.00 24.31 C ATOM 0 H THR A 5 0.186 -6.759 -11.516 1.00 0.22 H new ATOM 0 HA THR A 5 2.850 -8.103 -11.602 1.00 44.51 H new ATOM 0 HB THR A 5 1.515 -10.104 -12.000 1.00 4.32 H new ATOM 0 HG1 THR A 5 -0.879 -9.690 -11.844 1.00 3.34 H new ATOM 0 HG21 THR A 5 0.294 -10.275 -9.862 1.00 24.31 H new ATOM 0 HG22 THR A 5 1.856 -9.459 -9.616 1.00 24.31 H new ATOM 0 HG23 THR A 5 0.354 -8.506 -9.672 1.00 24.31 H new ATOM 74 N ASN A 6 1.753 -6.532 -13.900 1.00 15.53 N ATOM 75 CA ASN A 6 1.843 -6.193 -15.310 1.00 15.32 C ATOM 76 C ASN A 6 3.074 -5.314 -15.541 1.00 74.22 C ATOM 77 O ASN A 6 3.560 -5.205 -16.666 1.00 0.33 O ATOM 78 CB ASN A 6 0.610 -5.410 -15.768 1.00 4.11 C ATOM 79 CG ASN A 6 -0.666 -5.989 -15.155 1.00 32.11 C ATOM 80 OD1 ASN A 6 -0.645 -7.311 -15.009 1.00 14.42 O flip ATOM 81 ND2 ASN A 6 -1.608 -5.283 -14.836 1.00 3.24 N flip ATOM 0 H ASN A 6 1.521 -5.750 -13.287 1.00 15.53 H new ATOM 0 HA ASN A 6 1.912 -7.122 -15.877 1.00 15.32 H new ATOM 0 HB2 ASN A 6 0.713 -4.363 -15.482 1.00 4.11 H new ATOM 0 HB3 ASN A 6 0.540 -5.438 -16.855 1.00 4.11 H new ATOM 0 HD21 ASN A 6 -1.559 -4.274 -14.975 1.00 3.24 H new ATOM 0 HD22 ASN A 6 -2.445 -5.702 -14.430 1.00 3.24 H new ATOM 88 N ASN A 7 3.542 -4.711 -14.459 1.00 2.42 N ATOM 89 CA ASN A 7 4.707 -3.845 -14.530 1.00 23.23 C ATOM 90 C ASN A 7 4.335 -2.555 -15.263 1.00 20.00 C ATOM 91 O ASN A 7 5.206 -1.860 -15.784 1.00 14.51 O ATOM 92 CB ASN A 7 5.845 -4.516 -15.301 1.00 45.14 C ATOM 93 CG ASN A 7 7.207 -4.006 -14.824 1.00 33.44 C ATOM 94 OD1 ASN A 7 7.985 -3.441 -15.574 1.00 10.31 O ATOM 95 ND2 ASN A 7 7.450 -4.238 -13.537 1.00 14.33 N ATOM 0 H ASN A 7 3.136 -4.805 -13.528 1.00 2.42 H new ATOM 0 HA ASN A 7 5.035 -3.637 -13.512 1.00 23.23 H new ATOM 0 HB2 ASN A 7 5.791 -5.597 -15.169 1.00 45.14 H new ATOM 0 HB3 ASN A 7 5.732 -4.319 -16.367 1.00 45.14 H new ATOM 0 HD21 ASN A 7 8.332 -3.937 -13.122 1.00 14.33 H new ATOM 0 HD22 ASN A 7 6.754 -4.717 -12.965 1.00 14.33 H new ATOM 102 N ASP A 8 3.040 -2.274 -15.280 1.00 63.41 N ATOM 103 CA ASP A 8 2.542 -1.080 -15.941 1.00 20.01 C ATOM 104 C ASP A 8 2.608 0.100 -14.969 1.00 51.14 C ATOM 105 O ASP A 8 2.724 1.250 -15.391 1.00 35.12 O ATOM 106 CB ASP A 8 1.085 -1.257 -16.372 1.00 52.52 C ATOM 107 CG ASP A 8 0.050 -1.004 -15.274 1.00 22.24 C ATOM 108 OD1 ASP A 8 -0.022 0.158 -14.818 1.00 22.51 O ATOM 109 OD2 ASP A 8 -0.645 -1.979 -14.915 1.00 14.35 O ATOM 0 H ASP A 8 2.321 -2.853 -14.846 1.00 63.41 H new ATOM 0 HA ASP A 8 3.159 -0.899 -16.821 1.00 20.01 H new ATOM 0 HB2 ASP A 8 0.883 -0.581 -17.203 1.00 52.52 H new ATOM 0 HB3 ASP A 8 0.954 -2.272 -16.747 1.00 52.52 H new ATOM 114 N GLY A 9 2.532 -0.225 -13.687 1.00 74.13 N ATOM 115 CA GLY A 9 2.581 0.794 -12.652 1.00 61.35 C ATOM 116 C GLY A 9 1.173 1.245 -12.259 1.00 31.50 C ATOM 117 O GLY A 9 0.962 2.408 -11.921 1.00 55.20 O ATOM 0 H GLY A 9 2.437 -1.180 -13.341 1.00 74.13 H new ATOM 0 HA2 GLY A 9 3.099 0.403 -11.776 1.00 61.35 H new ATOM 0 HA3 GLY A 9 3.155 1.650 -13.006 1.00 61.35 H new ATOM 121 N ALA A 10 0.246 0.299 -12.316 1.00 1.41 N ATOM 122 CA ALA A 10 -1.136 0.585 -11.970 1.00 21.24 C ATOM 123 C ALA A 10 -1.747 -0.637 -11.281 1.00 12.14 C ATOM 124 O ALA A 10 -1.524 -1.770 -11.705 1.00 55.32 O ATOM 125 CB ALA A 10 -1.905 0.989 -13.229 1.00 2.40 C ATOM 0 H ALA A 10 0.425 -0.665 -12.596 1.00 1.41 H new ATOM 0 HA ALA A 10 -1.192 1.420 -11.272 1.00 21.24 H new ATOM 0 HB1 ALA A 10 -2.942 1.203 -12.969 1.00 2.40 H new ATOM 0 HB2 ALA A 10 -1.449 1.878 -13.664 1.00 2.40 H new ATOM 0 HB3 ALA A 10 -1.873 0.174 -13.952 1.00 2.40 H new ATOM 131 N TYR A 11 -2.506 -0.365 -10.229 1.00 23.42 N ATOM 132 CA TYR A 11 -3.151 -1.428 -9.477 1.00 23.42 C ATOM 133 C TYR A 11 -4.613 -1.589 -9.898 1.00 1.40 C ATOM 134 O TYR A 11 -5.426 -0.691 -9.685 1.00 41.51 O ATOM 135 CB TYR A 11 -3.099 -0.998 -8.010 1.00 33.04 C ATOM 136 CG TYR A 11 -1.687 -0.712 -7.494 1.00 74.41 C ATOM 137 CD1 TYR A 11 -0.678 -1.630 -7.703 1.00 22.14 C ATOM 138 CD2 TYR A 11 -1.423 0.463 -6.821 1.00 33.15 C ATOM 139 CE1 TYR A 11 0.651 -1.361 -7.217 1.00 61.24 C ATOM 140 CE2 TYR A 11 -0.094 0.732 -6.335 1.00 74.34 C ATOM 141 CZ TYR A 11 0.877 -0.194 -6.558 1.00 2.42 C ATOM 142 OH TYR A 11 2.132 0.060 -6.100 1.00 2.35 O ATOM 0 H TYR A 11 -2.689 0.576 -9.880 1.00 23.42 H new ATOM 0 HA TYR A 11 -2.650 -2.380 -9.652 1.00 23.42 H new ATOM 0 HB2 TYR A 11 -3.709 -0.104 -7.882 1.00 33.04 H new ATOM 0 HB3 TYR A 11 -3.547 -1.780 -7.397 1.00 33.04 H new ATOM 0 HD1 TYR A 11 -0.885 -2.549 -8.231 1.00 22.14 H new ATOM 0 HD2 TYR A 11 -2.213 1.181 -6.659 1.00 33.15 H new ATOM 0 HE1 TYR A 11 1.450 -2.071 -7.373 1.00 61.24 H new ATOM 0 HE2 TYR A 11 0.126 1.647 -5.806 1.00 74.34 H new ATOM 0 HH TYR A 11 2.287 -0.444 -5.274 1.00 2.35 H new ATOM 152 N GLU A 12 -4.903 -2.739 -10.488 1.00 42.10 N ATOM 153 CA GLU A 12 -6.253 -3.028 -10.941 1.00 22.41 C ATOM 154 C GLU A 12 -6.480 -4.540 -11.000 1.00 31.31 C ATOM 155 O GLU A 12 -5.837 -5.238 -11.782 1.00 24.30 O ATOM 156 CB GLU A 12 -6.526 -2.379 -12.299 1.00 74.51 C ATOM 157 CG GLU A 12 -5.795 -3.122 -13.419 1.00 60.21 C ATOM 158 CD GLU A 12 -4.323 -3.338 -13.063 1.00 45.24 C ATOM 159 OE1 GLU A 12 -3.689 -2.345 -12.643 1.00 61.54 O ATOM 160 OE2 GLU A 12 -3.864 -4.490 -13.220 1.00 21.13 O ATOM 0 H GLU A 12 -4.226 -3.482 -10.663 1.00 42.10 H new ATOM 0 HA GLU A 12 -6.955 -2.602 -10.224 1.00 22.41 H new ATOM 0 HB2 GLU A 12 -7.598 -2.379 -12.497 1.00 74.51 H new ATOM 0 HB3 GLU A 12 -6.205 -1.337 -12.279 1.00 74.51 H new ATOM 0 HG2 GLU A 12 -6.275 -4.084 -13.596 1.00 60.21 H new ATOM 0 HG3 GLU A 12 -5.869 -2.554 -14.346 1.00 60.21 H new ATOM 167 N GLY A 13 -7.398 -5.002 -10.163 1.00 4.32 N ATOM 168 CA GLY A 13 -7.718 -6.418 -10.110 1.00 2.01 C ATOM 169 C GLY A 13 -7.177 -7.055 -8.828 1.00 51.11 C ATOM 170 O GLY A 13 -7.536 -6.642 -7.726 1.00 72.43 O ATOM 0 H GLY A 13 -7.930 -4.420 -9.516 1.00 4.32 H new ATOM 0 HA2 GLY A 13 -8.799 -6.552 -10.159 1.00 2.01 H new ATOM 0 HA3 GLY A 13 -7.294 -6.923 -10.978 1.00 2.01 H new ATOM 174 N ASP A 14 -6.322 -8.050 -9.015 1.00 14.13 N ATOM 175 CA ASP A 14 -5.729 -8.748 -7.887 1.00 45.11 C ATOM 176 C ASP A 14 -4.601 -7.895 -7.302 1.00 21.43 C ATOM 177 O ASP A 14 -4.164 -8.126 -6.175 1.00 60.53 O ATOM 178 CB ASP A 14 -5.132 -10.088 -8.321 1.00 45.12 C ATOM 179 CG ASP A 14 -6.028 -10.931 -9.230 1.00 70.13 C ATOM 180 OD1 ASP A 14 -6.878 -11.698 -8.755 1.00 33.30 O ATOM 181 OD2 ASP A 14 -5.824 -10.775 -10.494 1.00 43.34 O ATOM 0 H ASP A 14 -6.026 -8.389 -9.930 1.00 14.13 H new ATOM 0 HA ASP A 14 -6.512 -8.924 -7.149 1.00 45.11 H new ATOM 0 HB2 ASP A 14 -4.191 -9.899 -8.838 1.00 45.12 H new ATOM 0 HB3 ASP A 14 -4.895 -10.669 -7.430 1.00 45.12 H new ATOM 187 N GLU A 15 -4.162 -6.928 -8.093 1.00 10.41 N ATOM 188 CA GLU A 15 -3.094 -6.040 -7.667 1.00 43.52 C ATOM 189 C GLU A 15 -3.554 -5.184 -6.485 1.00 23.42 C ATOM 190 O GLU A 15 -2.746 -4.505 -5.854 1.00 45.31 O ATOM 191 CB GLU A 15 -2.616 -5.162 -8.826 1.00 11.33 C ATOM 192 CG GLU A 15 -2.241 -6.013 -10.040 1.00 53.05 C ATOM 193 CD GLU A 15 -2.229 -5.171 -11.318 1.00 12.54 C ATOM 194 OE1 GLU A 15 -2.437 -3.944 -11.191 1.00 21.43 O ATOM 195 OE2 GLU A 15 -2.013 -5.772 -12.392 1.00 4.31 O ATOM 0 H GLU A 15 -4.526 -6.740 -9.027 1.00 10.41 H new ATOM 0 HA GLU A 15 -2.250 -6.649 -7.343 1.00 43.52 H new ATOM 0 HB2 GLU A 15 -3.401 -4.457 -9.100 1.00 11.33 H new ATOM 0 HB3 GLU A 15 -1.755 -4.574 -8.510 1.00 11.33 H new ATOM 0 HG2 GLU A 15 -1.259 -6.460 -9.886 1.00 53.05 H new ATOM 0 HG3 GLU A 15 -2.951 -6.833 -10.147 1.00 53.05 H new ATOM 202 N LEU A 16 -4.850 -5.246 -6.220 1.00 74.30 N ATOM 203 CA LEU A 16 -5.428 -4.486 -5.124 1.00 64.05 C ATOM 204 C LEU A 16 -5.874 -5.448 -4.022 1.00 13.14 C ATOM 205 O LEU A 16 -6.907 -5.235 -3.388 1.00 72.35 O ATOM 206 CB LEU A 16 -6.545 -3.574 -5.635 1.00 73.53 C ATOM 207 CG LEU A 16 -6.147 -2.565 -6.714 1.00 11.12 C ATOM 208 CD1 LEU A 16 -7.329 -2.249 -7.632 1.00 70.35 C ATOM 209 CD2 LEU A 16 -5.553 -1.301 -6.089 1.00 52.21 C ATOM 0 H LEU A 16 -5.517 -5.811 -6.745 1.00 74.30 H new ATOM 0 HA LEU A 16 -4.683 -3.822 -4.685 1.00 64.05 H new ATOM 0 HB2 LEU A 16 -7.346 -4.200 -6.029 1.00 73.53 H new ATOM 0 HB3 LEU A 16 -6.956 -3.026 -4.787 1.00 73.53 H new ATOM 0 HG LEU A 16 -5.370 -3.015 -7.333 1.00 11.12 H new ATOM 0 HD11 LEU A 16 -7.019 -1.529 -8.390 1.00 70.35 H new ATOM 0 HD12 LEU A 16 -7.667 -3.164 -8.118 1.00 70.35 H new ATOM 0 HD13 LEU A 16 -8.144 -1.828 -7.044 1.00 70.35 H new ATOM 0 HD21 LEU A 16 -5.278 -0.600 -6.877 1.00 52.21 H new ATOM 0 HD22 LEU A 16 -6.290 -0.839 -5.433 1.00 52.21 H new ATOM 0 HD23 LEU A 16 -4.667 -1.563 -5.511 1.00 52.21 H new ATOM 221 N SER A 17 -5.074 -6.485 -3.826 1.00 20.44 N ATOM 222 CA SER A 17 -5.374 -7.481 -2.810 1.00 41.42 C ATOM 223 C SER A 17 -4.755 -7.067 -1.473 1.00 55.13 C ATOM 224 O SER A 17 -5.197 -7.515 -0.416 1.00 40.50 O ATOM 225 CB SER A 17 -4.865 -8.862 -3.226 1.00 25.12 C ATOM 226 OG SER A 17 -5.457 -9.904 -2.454 1.00 42.33 O ATOM 0 H SER A 17 -4.218 -6.658 -4.353 1.00 20.44 H new ATOM 0 HA SER A 17 -6.457 -7.541 -2.699 1.00 41.42 H new ATOM 0 HB2 SER A 17 -5.081 -9.025 -4.282 1.00 25.12 H new ATOM 0 HB3 SER A 17 -3.781 -8.898 -3.113 1.00 25.12 H new ATOM 0 HG SER A 17 -5.108 -10.770 -2.751 1.00 42.33 H new ATOM 232 N GLY A 18 -3.743 -6.217 -1.564 1.00 30.12 N ATOM 233 CA GLY A 18 -3.059 -5.738 -0.374 1.00 74.05 C ATOM 234 C GLY A 18 -1.650 -6.326 -0.278 1.00 32.03 C ATOM 235 O GLY A 18 -1.487 -7.519 -0.028 1.00 35.41 O ATOM 0 H GLY A 18 -3.380 -5.848 -2.443 1.00 30.12 H new ATOM 0 HA2 GLY A 18 -3.002 -4.650 -0.396 1.00 74.05 H new ATOM 0 HA3 GLY A 18 -3.631 -6.009 0.513 1.00 74.05 H new ATOM 239 N THR A 19 -0.667 -5.461 -0.480 1.00 54.15 N ATOM 240 CA THR A 19 0.723 -5.880 -0.419 1.00 53.42 C ATOM 241 C THR A 19 1.384 -5.349 0.854 1.00 33.15 C ATOM 242 O THR A 19 0.748 -4.653 1.644 1.00 10.24 O ATOM 243 CB THR A 19 1.414 -5.413 -1.702 1.00 71.30 C ATOM 244 OG1 THR A 19 0.423 -5.585 -2.712 1.00 43.50 O ATOM 245 CG2 THR A 19 2.547 -6.348 -2.129 1.00 43.05 C ATOM 0 H THR A 19 -0.806 -4.472 -0.686 1.00 54.15 H new ATOM 0 HA THR A 19 0.807 -6.965 -0.363 1.00 53.42 H new ATOM 0 HB THR A 19 1.808 -4.407 -1.557 1.00 71.30 H new ATOM 0 HG1 THR A 19 0.754 -6.209 -3.392 1.00 43.50 H new ATOM 0 HG21 THR A 19 3.004 -5.972 -3.044 1.00 43.05 H new ATOM 0 HG22 THR A 19 3.298 -6.393 -1.340 1.00 43.05 H new ATOM 0 HG23 THR A 19 2.147 -7.346 -2.307 1.00 43.05 H new ATOM 253 N MET A 20 2.652 -5.699 1.015 1.00 54.35 N ATOM 254 CA MET A 20 3.406 -5.266 2.179 1.00 72.52 C ATOM 255 C MET A 20 4.772 -4.711 1.772 1.00 40.32 C ATOM 256 O MET A 20 5.531 -5.374 1.067 1.00 23.24 O ATOM 257 CB MET A 20 3.598 -6.449 3.130 1.00 4.03 C ATOM 258 CG MET A 20 2.252 -6.969 3.638 1.00 70.22 C ATOM 259 SD MET A 20 2.508 -8.114 4.983 1.00 33.21 S ATOM 260 CE MET A 20 1.599 -9.522 4.369 1.00 75.21 C ATOM 0 H MET A 20 3.176 -6.278 0.358 1.00 54.35 H new ATOM 0 HA MET A 20 2.847 -4.474 2.677 1.00 72.52 H new ATOM 0 HB2 MET A 20 4.131 -7.250 2.617 1.00 4.03 H new ATOM 0 HB3 MET A 20 4.216 -6.145 3.974 1.00 4.03 H new ATOM 0 HG2 MET A 20 1.633 -6.136 3.972 1.00 70.22 H new ATOM 0 HG3 MET A 20 1.714 -7.461 2.828 1.00 70.22 H new ATOM 0 HE1 MET A 20 1.800 -10.388 5.000 1.00 75.21 H new ATOM 0 HE2 MET A 20 0.532 -9.301 4.385 1.00 75.21 H new ATOM 0 HE3 MET A 20 1.910 -9.738 3.347 1.00 75.21 H new ATOM 270 N GLU A 21 5.043 -3.499 2.233 1.00 44.42 N ATOM 271 CA GLU A 21 6.305 -2.846 1.926 1.00 72.14 C ATOM 272 C GLU A 21 7.331 -3.130 3.025 1.00 53.33 C ATOM 273 O GLU A 21 7.001 -3.100 4.209 1.00 33.43 O ATOM 274 CB GLU A 21 6.111 -1.341 1.732 1.00 14.10 C ATOM 275 CG GLU A 21 7.442 -0.596 1.853 1.00 73.32 C ATOM 276 CD GLU A 21 7.317 0.837 1.333 1.00 1.42 C ATOM 277 OE1 GLU A 21 7.113 1.769 2.126 1.00 34.41 O ATOM 278 OE2 GLU A 21 7.441 0.967 0.056 1.00 44.12 O ATOM 0 H GLU A 21 4.411 -2.952 2.817 1.00 44.42 H new ATOM 0 HA GLU A 21 6.684 -3.254 0.989 1.00 72.14 H new ATOM 0 HB2 GLU A 21 5.671 -1.151 0.753 1.00 14.10 H new ATOM 0 HB3 GLU A 21 5.409 -0.962 2.475 1.00 14.10 H new ATOM 0 HG2 GLU A 21 7.762 -0.582 2.895 1.00 73.32 H new ATOM 0 HG3 GLU A 21 8.211 -1.125 1.291 1.00 73.32 H new ATOM 286 N TYR A 22 8.554 -3.398 2.593 1.00 43.30 N ATOM 287 CA TYR A 22 9.630 -3.686 3.526 1.00 65.44 C ATOM 288 C TYR A 22 10.905 -2.931 3.143 1.00 12.22 C ATOM 289 O TYR A 22 11.154 -2.684 1.964 1.00 1.33 O ATOM 290 CB TYR A 22 9.891 -5.190 3.416 1.00 1.04 C ATOM 291 CG TYR A 22 8.642 -6.053 3.603 1.00 71.20 C ATOM 292 CD1 TYR A 22 8.274 -6.471 4.866 1.00 70.00 C ATOM 293 CD2 TYR A 22 7.883 -6.414 2.508 1.00 33.35 C ATOM 294 CE1 TYR A 22 7.098 -7.283 5.042 1.00 61.54 C ATOM 295 CE2 TYR A 22 6.707 -7.227 2.684 1.00 11.31 C ATOM 296 CZ TYR A 22 6.373 -7.621 3.942 1.00 34.20 C ATOM 297 OH TYR A 22 5.262 -8.389 4.108 1.00 41.41 O ATOM 0 H TYR A 22 8.824 -3.422 1.610 1.00 43.30 H new ATOM 0 HA TYR A 22 9.355 -3.381 4.536 1.00 65.44 H new ATOM 0 HB2 TYR A 22 10.324 -5.403 2.439 1.00 1.04 H new ATOM 0 HB3 TYR A 22 10.632 -5.475 4.162 1.00 1.04 H new ATOM 0 HD1 TYR A 22 8.868 -6.189 5.722 1.00 70.00 H new ATOM 0 HD2 TYR A 22 8.171 -6.087 1.520 1.00 33.35 H new ATOM 0 HE1 TYR A 22 6.799 -7.616 6.025 1.00 61.54 H new ATOM 0 HE2 TYR A 22 6.104 -7.517 1.836 1.00 11.31 H new ATOM 0 HH TYR A 22 4.673 -7.973 4.772 1.00 41.41 H new ATOM 307 N LYS A 23 11.678 -2.585 4.162 1.00 32.12 N ATOM 308 CA LYS A 23 12.920 -1.863 3.948 1.00 42.34 C ATOM 309 C LYS A 23 14.097 -2.833 4.071 1.00 51.24 C ATOM 310 O LYS A 23 14.314 -3.419 5.130 1.00 64.44 O ATOM 311 CB LYS A 23 13.012 -0.662 4.892 1.00 72.14 C ATOM 312 CG LYS A 23 14.459 -0.187 5.035 1.00 10.41 C ATOM 313 CD LYS A 23 14.520 1.327 5.248 1.00 42.34 C ATOM 314 CE LYS A 23 13.560 1.765 6.356 1.00 71.35 C ATOM 315 NZ LYS A 23 14.098 1.395 7.684 1.00 72.53 N ATOM 0 H LYS A 23 11.468 -2.792 5.138 1.00 32.12 H new ATOM 0 HA LYS A 23 12.951 -1.450 2.940 1.00 42.34 H new ATOM 0 HB2 LYS A 23 12.394 0.152 4.512 1.00 72.14 H new ATOM 0 HB3 LYS A 23 12.616 -0.933 5.871 1.00 72.14 H new ATOM 0 HG2 LYS A 23 14.931 -0.696 5.876 1.00 10.41 H new ATOM 0 HG3 LYS A 23 15.024 -0.455 4.142 1.00 10.41 H new ATOM 0 HD2 LYS A 23 15.537 1.621 5.507 1.00 42.34 H new ATOM 0 HD3 LYS A 23 14.267 1.839 4.320 1.00 42.34 H new ATOM 0 HE2 LYS A 23 13.406 2.843 6.307 1.00 71.35 H new ATOM 0 HE3 LYS A 23 12.587 1.297 6.208 1.00 71.35 H new ATOM 0 HZ1 LYS A 23 13.314 1.133 8.315 1.00 72.53 H new ATOM 0 HZ2 LYS A 23 14.747 0.588 7.583 1.00 72.53 H new ATOM 0 HZ3 LYS A 23 14.612 2.204 8.088 1.00 72.53 H new ATOM 328 N LEU A 24 14.825 -2.972 2.973 1.00 41.35 N ATOM 329 CA LEU A 24 15.974 -3.861 2.944 1.00 42.30 C ATOM 330 C LEU A 24 17.252 -3.042 3.140 1.00 71.03 C ATOM 331 O LEU A 24 17.616 -2.239 2.282 1.00 10.44 O ATOM 332 CB LEU A 24 15.971 -4.699 1.664 1.00 21.44 C ATOM 333 CG LEU A 24 17.193 -5.595 1.446 1.00 13.52 C ATOM 334 CD1 LEU A 24 18.279 -4.858 0.660 1.00 11.21 C ATOM 335 CD2 LEU A 24 17.717 -6.140 2.776 1.00 45.30 C ATOM 0 H LEU A 24 14.641 -2.484 2.096 1.00 41.35 H new ATOM 0 HA LEU A 24 15.924 -4.576 3.765 1.00 42.30 H new ATOM 0 HB2 LEU A 24 15.080 -5.327 1.667 1.00 21.44 H new ATOM 0 HB3 LEU A 24 15.883 -4.025 0.812 1.00 21.44 H new ATOM 0 HG LEU A 24 16.887 -6.452 0.846 1.00 13.52 H new ATOM 0 HD11 LEU A 24 19.136 -5.516 0.519 1.00 11.21 H new ATOM 0 HD12 LEU A 24 17.886 -4.560 -0.312 1.00 11.21 H new ATOM 0 HD13 LEU A 24 18.590 -3.971 1.213 1.00 11.21 H new ATOM 0 HD21 LEU A 24 18.585 -6.773 2.593 1.00 45.30 H new ATOM 0 HD22 LEU A 24 18.003 -5.310 3.422 1.00 45.30 H new ATOM 0 HD23 LEU A 24 16.937 -6.726 3.262 1.00 45.30 H new ATOM 347 N ILE A 25 17.898 -3.274 4.273 1.00 35.20 N ATOM 348 CA ILE A 25 19.127 -2.568 4.592 1.00 32.22 C ATOM 349 C ILE A 25 20.294 -3.558 4.589 1.00 53.22 C ATOM 350 O ILE A 25 20.248 -4.579 5.273 1.00 62.01 O ATOM 351 CB ILE A 25 18.977 -1.799 5.906 1.00 40.50 C ATOM 352 CG1 ILE A 25 17.844 -0.774 5.815 1.00 2.01 C ATOM 353 CG2 ILE A 25 20.302 -1.153 6.317 1.00 31.25 C ATOM 354 CD1 ILE A 25 17.103 -0.657 7.148 1.00 13.22 C ATOM 0 H ILE A 25 17.593 -3.941 4.982 1.00 35.20 H new ATOM 0 HA ILE A 25 19.343 -1.817 3.832 1.00 32.22 H new ATOM 0 HB ILE A 25 18.708 -2.508 6.688 1.00 40.50 H new ATOM 0 HG12 ILE A 25 18.250 0.198 5.534 1.00 2.01 H new ATOM 0 HG13 ILE A 25 17.146 -1.067 5.031 1.00 2.01 H new ATOM 0 HG21 ILE A 25 20.168 -0.613 7.254 1.00 31.25 H new ATOM 0 HG22 ILE A 25 21.058 -1.927 6.449 1.00 31.25 H new ATOM 0 HG23 ILE A 25 20.625 -0.459 5.541 1.00 31.25 H new ATOM 0 HD11 ILE A 25 16.303 0.078 7.056 1.00 13.22 H new ATOM 0 HD12 ILE A 25 16.678 -1.625 7.414 1.00 13.22 H new ATOM 0 HD13 ILE A 25 17.799 -0.340 7.925 1.00 13.22 H new ATOM 366 N LEU A 26 21.312 -3.220 3.811 1.00 72.41 N ATOM 367 CA LEU A 26 22.489 -4.067 3.709 1.00 13.55 C ATOM 368 C LEU A 26 23.698 -3.320 4.275 1.00 5.01 C ATOM 369 O LEU A 26 24.160 -2.343 3.687 1.00 23.30 O ATOM 370 CB LEU A 26 22.681 -4.547 2.270 1.00 74.04 C ATOM 371 CG LEU A 26 21.404 -4.908 1.507 1.00 21.33 C ATOM 372 CD1 LEU A 26 20.955 -3.752 0.611 1.00 31.44 C ATOM 373 CD2 LEU A 26 21.585 -6.207 0.719 1.00 20.35 C ATOM 0 H LEU A 26 21.346 -2.372 3.246 1.00 72.41 H new ATOM 0 HA LEU A 26 22.362 -4.970 4.306 1.00 13.55 H new ATOM 0 HB2 LEU A 26 23.204 -3.768 1.715 1.00 74.04 H new ATOM 0 HB3 LEU A 26 23.332 -5.421 2.283 1.00 74.04 H new ATOM 0 HG LEU A 26 20.609 -5.080 2.233 1.00 21.33 H new ATOM 0 HD11 LEU A 26 20.046 -4.035 0.080 1.00 31.44 H new ATOM 0 HD12 LEU A 26 20.759 -2.872 1.223 1.00 31.44 H new ATOM 0 HD13 LEU A 26 21.740 -3.524 -0.110 1.00 31.44 H new ATOM 0 HD21 LEU A 26 20.663 -6.441 0.186 1.00 20.35 H new ATOM 0 HD22 LEU A 26 22.398 -6.088 0.003 1.00 20.35 H new ATOM 0 HD23 LEU A 26 21.823 -7.019 1.406 1.00 20.35 H new ATOM 385 N ASN A 27 24.177 -3.808 5.410 1.00 63.21 N ATOM 386 CA ASN A 27 25.325 -3.199 6.061 1.00 34.45 C ATOM 387 C ASN A 27 26.561 -4.069 5.824 1.00 0.24 C ATOM 388 O ASN A 27 26.747 -5.086 6.491 1.00 15.43 O ATOM 389 CB ASN A 27 25.106 -3.090 7.572 1.00 42.12 C ATOM 390 CG ASN A 27 24.618 -1.691 7.955 1.00 22.53 C ATOM 391 OD1 ASN A 27 25.205 -0.682 7.602 1.00 64.23 O ATOM 392 ND2 ASN A 27 23.514 -1.688 8.696 1.00 30.35 N ATOM 0 H ASN A 27 23.791 -4.618 5.895 1.00 63.21 H new ATOM 0 HA ASN A 27 25.461 -2.202 5.643 1.00 34.45 H new ATOM 0 HB2 ASN A 27 24.377 -3.834 7.892 1.00 42.12 H new ATOM 0 HB3 ASN A 27 26.037 -3.310 8.095 1.00 42.12 H new ATOM 0 HD21 ASN A 27 23.109 -0.804 9.004 1.00 30.35 H new ATOM 0 HD22 ASN A 27 23.072 -2.570 8.957 1.00 30.35 H new ATOM 399 N GLY A 28 27.375 -3.637 4.872 1.00 10.14 N ATOM 400 CA GLY A 28 28.589 -4.363 4.539 1.00 74.11 C ATOM 401 C GLY A 28 29.779 -3.411 4.406 1.00 55.52 C ATOM 402 O GLY A 28 29.599 -2.216 4.173 1.00 21.14 O ATOM 0 H GLY A 28 27.218 -2.793 4.321 1.00 10.14 H new ATOM 0 HA2 GLY A 28 28.797 -5.104 5.311 1.00 74.11 H new ATOM 0 HA3 GLY A 28 28.447 -4.906 3.605 1.00 74.11 H new ATOM 406 N LYS A 29 30.967 -3.975 4.559 1.00 44.11 N ATOM 407 CA LYS A 29 32.187 -3.191 4.459 1.00 54.22 C ATOM 408 C LYS A 29 32.450 -2.851 2.990 1.00 22.34 C ATOM 409 O LYS A 29 32.924 -1.760 2.677 1.00 21.22 O ATOM 410 CB LYS A 29 33.348 -3.917 5.140 1.00 2.02 C ATOM 411 CG LYS A 29 32.942 -4.420 6.527 1.00 62.31 C ATOM 412 CD LYS A 29 32.701 -3.252 7.485 1.00 21.22 C ATOM 413 CE LYS A 29 31.458 -3.495 8.343 1.00 11.34 C ATOM 414 NZ LYS A 29 31.687 -3.031 9.730 1.00 20.32 N ATOM 0 H LYS A 29 31.112 -4.966 4.752 1.00 44.11 H new ATOM 0 HA LYS A 29 32.078 -2.246 4.991 1.00 54.22 H new ATOM 0 HB2 LYS A 29 33.668 -4.757 4.524 1.00 2.02 H new ATOM 0 HB3 LYS A 29 34.201 -3.244 5.229 1.00 2.02 H new ATOM 0 HG2 LYS A 29 32.038 -5.023 6.449 1.00 62.31 H new ATOM 0 HG3 LYS A 29 33.723 -5.067 6.926 1.00 62.31 H new ATOM 0 HD2 LYS A 29 33.571 -3.119 8.128 1.00 21.22 H new ATOM 0 HD3 LYS A 29 32.581 -2.330 6.917 1.00 21.22 H new ATOM 0 HE2 LYS A 29 30.604 -2.970 7.914 1.00 11.34 H new ATOM 0 HE3 LYS A 29 31.212 -4.557 8.344 1.00 11.34 H new ATOM 0 HZ1 LYS A 29 30.834 -3.203 10.299 1.00 20.32 H new ATOM 0 HZ2 LYS A 29 32.488 -3.550 10.142 1.00 20.32 H new ATOM 0 HZ3 LYS A 29 31.900 -2.013 9.725 1.00 20.32 H new ATOM 427 N THR A 30 32.132 -3.806 2.129 1.00 73.20 N ATOM 428 CA THR A 30 32.328 -3.622 0.701 1.00 22.11 C ATOM 429 C THR A 30 30.999 -3.296 0.018 1.00 51.14 C ATOM 430 O THR A 30 30.979 -2.690 -1.053 1.00 23.41 O ATOM 431 CB THR A 30 33.002 -4.880 0.150 1.00 30.44 C ATOM 432 OG1 THR A 30 31.987 -5.878 0.223 1.00 11.20 O ATOM 433 CG2 THR A 30 34.106 -5.404 1.071 1.00 32.44 C ATOM 0 H THR A 30 31.740 -4.710 2.393 1.00 73.20 H new ATOM 0 HA THR A 30 32.979 -2.772 0.498 1.00 22.11 H new ATOM 0 HB THR A 30 33.421 -4.666 -0.833 1.00 30.44 H new ATOM 0 HG1 THR A 30 32.338 -6.727 -0.117 1.00 11.20 H new ATOM 0 HG21 THR A 30 34.551 -6.297 0.633 1.00 32.44 H new ATOM 0 HG22 THR A 30 34.872 -4.639 1.192 1.00 32.44 H new ATOM 0 HG23 THR A 30 33.682 -5.650 2.044 1.00 32.44 H new ATOM 441 N LEU A 31 29.920 -3.712 0.664 1.00 10.13 N ATOM 442 CA LEU A 31 28.589 -3.472 0.132 1.00 4.42 C ATOM 443 C LEU A 31 27.704 -2.881 1.232 1.00 61.53 C ATOM 444 O LEU A 31 27.245 -3.601 2.117 1.00 23.25 O ATOM 445 CB LEU A 31 28.024 -4.748 -0.494 1.00 30.24 C ATOM 446 CG LEU A 31 27.562 -4.635 -1.948 1.00 2.42 C ATOM 447 CD1 LEU A 31 26.786 -3.337 -2.177 1.00 15.43 C ATOM 448 CD2 LEU A 31 28.743 -4.773 -2.911 1.00 23.25 C ATOM 0 H LEU A 31 29.940 -4.214 1.552 1.00 10.13 H new ATOM 0 HA LEU A 31 28.627 -2.740 -0.675 1.00 4.42 H new ATOM 0 HB2 LEU A 31 28.786 -5.526 -0.435 1.00 30.24 H new ATOM 0 HB3 LEU A 31 27.180 -5.082 0.110 1.00 30.24 H new ATOM 0 HG LEU A 31 26.880 -5.460 -2.154 1.00 2.42 H new ATOM 0 HD11 LEU A 31 26.469 -3.281 -3.218 1.00 15.43 H new ATOM 0 HD12 LEU A 31 25.909 -3.318 -1.529 1.00 15.43 H new ATOM 0 HD13 LEU A 31 27.426 -2.485 -1.947 1.00 15.43 H new ATOM 0 HD21 LEU A 31 28.387 -4.689 -3.938 1.00 23.25 H new ATOM 0 HD22 LEU A 31 29.468 -3.984 -2.713 1.00 23.25 H new ATOM 0 HD23 LEU A 31 29.216 -5.745 -2.769 1.00 23.25 H new ATOM 460 N LYS A 32 27.491 -1.577 1.139 1.00 75.21 N ATOM 461 CA LYS A 32 26.668 -0.882 2.115 1.00 63.13 C ATOM 462 C LYS A 32 25.690 0.041 1.386 1.00 74.33 C ATOM 463 O LYS A 32 26.102 0.896 0.604 1.00 3.10 O ATOM 464 CB LYS A 32 27.547 -0.161 3.139 1.00 52.21 C ATOM 465 CG LYS A 32 28.866 0.290 2.509 1.00 63.31 C ATOM 466 CD LYS A 32 29.809 0.868 3.566 1.00 24.30 C ATOM 467 CE LYS A 32 30.693 1.965 2.971 1.00 44.43 C ATOM 468 NZ LYS A 32 31.502 1.430 1.852 1.00 15.31 N ATOM 0 H LYS A 32 27.874 -0.983 0.403 1.00 75.21 H new ATOM 0 HA LYS A 32 26.070 -1.593 2.686 1.00 63.13 H new ATOM 0 HB2 LYS A 32 27.015 0.704 3.535 1.00 52.21 H new ATOM 0 HB3 LYS A 32 27.750 -0.824 3.980 1.00 52.21 H new ATOM 0 HG2 LYS A 32 29.344 -0.555 2.013 1.00 63.31 H new ATOM 0 HG3 LYS A 32 28.670 1.040 1.743 1.00 63.31 H new ATOM 0 HD2 LYS A 32 29.228 1.274 4.394 1.00 24.30 H new ATOM 0 HD3 LYS A 32 30.434 0.074 3.974 1.00 24.30 H new ATOM 0 HE2 LYS A 32 30.072 2.788 2.618 1.00 44.43 H new ATOM 0 HE3 LYS A 32 31.350 2.369 3.742 1.00 44.43 H new ATOM 0 HZ1 LYS A 32 32.236 2.120 1.593 1.00 15.31 H new ATOM 0 HZ2 LYS A 32 31.952 0.539 2.144 1.00 15.31 H new ATOM 0 HZ3 LYS A 32 30.887 1.255 1.032 1.00 15.31 H new ATOM 481 N GLY A 33 24.411 -0.164 1.667 1.00 23.24 N ATOM 482 CA GLY A 33 23.370 0.639 1.048 1.00 25.33 C ATOM 483 C GLY A 33 22.007 0.349 1.678 1.00 34.41 C ATOM 484 O GLY A 33 21.922 -0.333 2.699 1.00 44.14 O ATOM 0 H GLY A 33 24.072 -0.875 2.315 1.00 23.24 H new ATOM 0 HA2 GLY A 33 23.608 1.697 1.158 1.00 25.33 H new ATOM 0 HA3 GLY A 33 23.332 0.430 -0.021 1.00 25.33 H new ATOM 488 N GLU A 34 20.972 0.880 1.043 1.00 3.44 N ATOM 489 CA GLU A 34 19.616 0.687 1.529 1.00 44.13 C ATOM 490 C GLU A 34 18.647 0.546 0.353 1.00 20.45 C ATOM 491 O GLU A 34 19.007 0.824 -0.789 1.00 54.14 O ATOM 492 CB GLU A 34 19.196 1.833 2.451 1.00 32.35 C ATOM 493 CG GLU A 34 19.707 1.606 3.876 1.00 71.44 C ATOM 494 CD GLU A 34 18.911 2.438 4.883 1.00 43.21 C ATOM 495 OE1 GLU A 34 17.812 2.914 4.563 1.00 73.30 O ATOM 496 OE2 GLU A 34 19.473 2.583 6.035 1.00 43.51 O ATOM 0 H GLU A 34 21.045 1.444 0.196 1.00 3.44 H new ATOM 0 HA GLU A 34 19.587 -0.234 2.112 1.00 44.13 H new ATOM 0 HB2 GLU A 34 19.586 2.775 2.067 1.00 32.35 H new ATOM 0 HB3 GLU A 34 18.109 1.918 2.460 1.00 32.35 H new ATOM 0 HG2 GLU A 34 19.629 0.549 4.130 1.00 71.44 H new ATOM 0 HG3 GLU A 34 20.763 1.871 3.934 1.00 71.44 H new ATOM 504 N THR A 35 17.437 0.113 0.675 1.00 73.22 N ATOM 505 CA THR A 35 16.413 -0.069 -0.340 1.00 70.02 C ATOM 506 C THR A 35 15.119 -0.585 0.294 1.00 45.25 C ATOM 507 O THR A 35 15.081 -0.871 1.489 1.00 31.31 O ATOM 508 CB THR A 35 16.975 -0.999 -1.417 1.00 71.12 C ATOM 509 OG1 THR A 35 15.829 -1.397 -2.165 1.00 40.40 O ATOM 510 CG2 THR A 35 17.514 -2.308 -0.837 1.00 71.32 C ATOM 0 H THR A 35 17.143 -0.117 1.624 1.00 73.22 H new ATOM 0 HA THR A 35 16.151 0.878 -0.812 1.00 70.02 H new ATOM 0 HB THR A 35 17.770 -0.487 -1.959 1.00 71.12 H new ATOM 0 HG1 THR A 35 16.110 -1.943 -2.929 1.00 40.40 H new ATOM 0 HG21 THR A 35 17.901 -2.931 -1.643 1.00 71.32 H new ATOM 0 HG22 THR A 35 18.315 -2.090 -0.130 1.00 71.32 H new ATOM 0 HG23 THR A 35 16.711 -2.836 -0.323 1.00 71.32 H new ATOM 518 N THR A 36 14.092 -0.687 -0.536 1.00 73.43 N ATOM 519 CA THR A 36 12.800 -1.164 -0.072 1.00 52.31 C ATOM 520 C THR A 36 12.092 -1.949 -1.178 1.00 64.31 C ATOM 521 O THR A 36 12.273 -1.663 -2.361 1.00 13.14 O ATOM 522 CB THR A 36 12.001 0.044 0.422 1.00 35.41 C ATOM 523 OG1 THR A 36 11.736 0.793 -0.761 1.00 22.22 O ATOM 524 CG2 THR A 36 12.841 0.990 1.282 1.00 33.35 C ATOM 0 H THR A 36 14.128 -0.448 -1.527 1.00 73.43 H new ATOM 0 HA THR A 36 12.911 -1.862 0.758 1.00 52.31 H new ATOM 0 HB THR A 36 11.141 -0.301 0.996 1.00 35.41 H new ATOM 0 HG1 THR A 36 11.220 1.594 -0.532 1.00 22.22 H new ATOM 0 HG21 THR A 36 12.226 1.830 1.606 1.00 33.35 H new ATOM 0 HG22 THR A 36 13.213 0.454 2.155 1.00 33.35 H new ATOM 0 HG23 THR A 36 13.683 1.361 0.698 1.00 33.35 H new ATOM 532 N THR A 37 11.302 -2.925 -0.754 1.00 40.52 N ATOM 533 CA THR A 37 10.567 -3.754 -1.694 1.00 15.41 C ATOM 534 C THR A 37 9.210 -4.150 -1.107 1.00 43.03 C ATOM 535 O THR A 37 9.076 -4.305 0.106 1.00 52.15 O ATOM 536 CB THR A 37 11.446 -4.952 -2.056 1.00 32.34 C ATOM 537 OG1 THR A 37 10.743 -5.590 -3.119 1.00 45.30 O ATOM 538 CG2 THR A 37 11.482 -6.007 -0.948 1.00 62.20 C ATOM 0 H THR A 37 11.155 -3.160 0.228 1.00 40.52 H new ATOM 0 HA THR A 37 10.343 -3.209 -2.611 1.00 15.41 H new ATOM 0 HB THR A 37 12.459 -4.609 -2.264 1.00 32.34 H new ATOM 0 HG1 THR A 37 10.929 -6.552 -3.103 1.00 45.30 H new ATOM 0 HG21 THR A 37 12.120 -6.836 -1.255 1.00 62.20 H new ATOM 0 HG22 THR A 37 11.879 -5.563 -0.035 1.00 62.20 H new ATOM 0 HG23 THR A 37 10.473 -6.375 -0.763 1.00 62.20 H new ATOM 546 N CYS A 38 8.239 -4.303 -1.996 1.00 2.35 N ATOM 547 CA CYS A 38 6.898 -4.678 -1.581 1.00 50.01 C ATOM 548 C CYS A 38 6.611 -6.088 -2.101 1.00 43.13 C ATOM 549 O CYS A 38 7.034 -6.446 -3.200 1.00 13.13 O ATOM 550 CB CYS A 38 5.854 -3.669 -2.063 1.00 11.43 C ATOM 551 SG CYS A 38 4.663 -3.127 -0.783 1.00 74.34 S ATOM 0 H CYS A 38 8.354 -4.174 -3.001 1.00 2.35 H new ATOM 0 HA CYS A 38 6.837 -4.673 -0.493 1.00 50.01 H new ATOM 0 HB2 CYS A 38 6.370 -2.792 -2.454 1.00 11.43 H new ATOM 0 HB3 CYS A 38 5.300 -4.109 -2.892 1.00 11.43 H new ATOM 0 HG CYS A 38 3.829 -2.274 -1.300 1.00 74.34 H new ATOM 556 N ALA A 39 5.895 -6.850 -1.288 1.00 23.11 N ATOM 557 CA ALA A 39 5.547 -8.213 -1.652 1.00 63.03 C ATOM 558 C ALA A 39 4.164 -8.549 -1.091 1.00 24.25 C ATOM 559 O ALA A 39 3.694 -7.898 -0.159 1.00 73.12 O ATOM 560 CB ALA A 39 6.630 -9.169 -1.147 1.00 51.04 C ATOM 0 H ALA A 39 5.546 -6.549 -0.378 1.00 23.11 H new ATOM 0 HA ALA A 39 5.498 -8.320 -2.736 1.00 63.03 H new ATOM 0 HB1 ALA A 39 6.369 -10.191 -1.420 1.00 51.04 H new ATOM 0 HB2 ALA A 39 7.587 -8.906 -1.598 1.00 51.04 H new ATOM 0 HB3 ALA A 39 6.707 -9.091 -0.062 1.00 51.04 H new ATOM 566 N VAL A 40 3.552 -9.565 -1.680 1.00 64.54 N ATOM 567 CA VAL A 40 2.233 -9.996 -1.250 1.00 71.05 C ATOM 568 C VAL A 40 2.332 -10.608 0.148 1.00 35.22 C ATOM 569 O VAL A 40 1.453 -10.402 0.984 1.00 54.45 O ATOM 570 CB VAL A 40 1.633 -10.954 -2.282 1.00 23.44 C ATOM 571 CG1 VAL A 40 2.285 -12.336 -2.190 1.00 50.43 C ATOM 572 CG2 VAL A 40 0.115 -11.053 -2.121 1.00 10.40 C ATOM 0 H VAL A 40 3.945 -10.103 -2.452 1.00 64.54 H new ATOM 0 HA VAL A 40 1.555 -9.145 -1.185 1.00 71.05 H new ATOM 0 HB VAL A 40 1.839 -10.551 -3.273 1.00 23.44 H new ATOM 0 HG11 VAL A 40 1.841 -12.998 -2.934 1.00 50.43 H new ATOM 0 HG12 VAL A 40 3.355 -12.247 -2.377 1.00 50.43 H new ATOM 0 HG13 VAL A 40 2.124 -12.749 -1.194 1.00 50.43 H new ATOM 0 HG21 VAL A 40 -0.286 -11.740 -2.866 1.00 10.40 H new ATOM 0 HG22 VAL A 40 -0.122 -11.422 -1.123 1.00 10.40 H new ATOM 0 HG23 VAL A 40 -0.331 -10.068 -2.259 1.00 10.40 H new ATOM 582 N ASP A 41 3.409 -11.349 0.360 1.00 21.33 N ATOM 583 CA ASP A 41 3.634 -11.993 1.643 1.00 0.15 C ATOM 584 C ASP A 41 5.091 -11.787 2.064 1.00 73.42 C ATOM 585 O ASP A 41 5.989 -11.788 1.223 1.00 10.25 O ATOM 586 CB ASP A 41 3.375 -13.498 1.558 1.00 73.35 C ATOM 587 CG ASP A 41 1.935 -13.888 1.214 1.00 5.11 C ATOM 588 OD1 ASP A 41 1.000 -13.093 1.389 1.00 72.24 O ATOM 589 OD2 ASP A 41 1.791 -15.080 0.742 1.00 2.23 O ATOM 0 H ASP A 41 4.136 -11.518 -0.335 1.00 21.33 H new ATOM 0 HA ASP A 41 2.949 -11.550 2.366 1.00 0.15 H new ATOM 0 HB2 ASP A 41 4.040 -13.924 0.807 1.00 73.35 H new ATOM 0 HB3 ASP A 41 3.640 -13.952 2.513 1.00 73.35 H new ATOM 595 N ALA A 42 5.280 -11.617 3.364 1.00 14.10 N ATOM 596 CA ALA A 42 6.612 -11.411 3.906 1.00 11.31 C ATOM 597 C ALA A 42 7.513 -12.575 3.490 1.00 70.03 C ATOM 598 O ALA A 42 8.731 -12.424 3.409 1.00 0.11 O ATOM 599 CB ALA A 42 6.526 -11.254 5.426 1.00 64.14 C ATOM 0 H ALA A 42 4.533 -11.618 4.058 1.00 14.10 H new ATOM 0 HA ALA A 42 7.051 -10.496 3.508 1.00 11.31 H new ATOM 0 HB1 ALA A 42 7.525 -11.099 5.833 1.00 64.14 H new ATOM 0 HB2 ALA A 42 5.899 -10.396 5.668 1.00 64.14 H new ATOM 0 HB3 ALA A 42 6.092 -12.155 5.861 1.00 64.14 H new ATOM 605 N ALA A 43 6.879 -13.711 3.236 1.00 2.51 N ATOM 606 CA ALA A 43 7.608 -14.900 2.830 1.00 4.00 C ATOM 607 C ALA A 43 8.236 -14.663 1.455 1.00 24.31 C ATOM 608 O ALA A 43 9.406 -14.978 1.240 1.00 31.43 O ATOM 609 CB ALA A 43 6.666 -16.105 2.841 1.00 60.21 C ATOM 0 H ALA A 43 5.869 -13.833 3.304 1.00 2.51 H new ATOM 0 HA ALA A 43 8.417 -15.112 3.530 1.00 4.00 H new ATOM 0 HB1 ALA A 43 7.213 -16.997 2.536 1.00 60.21 H new ATOM 0 HB2 ALA A 43 6.270 -16.248 3.846 1.00 60.21 H new ATOM 0 HB3 ALA A 43 5.843 -15.930 2.148 1.00 60.21 H new ATOM 615 N THR A 44 7.432 -14.110 0.560 1.00 74.34 N ATOM 616 CA THR A 44 7.894 -13.828 -0.789 1.00 11.23 C ATOM 617 C THR A 44 8.938 -12.709 -0.771 1.00 73.31 C ATOM 618 O THR A 44 9.937 -12.777 -1.485 1.00 2.13 O ATOM 619 CB THR A 44 6.671 -13.504 -1.650 1.00 22.44 C ATOM 620 OG1 THR A 44 5.892 -14.697 -1.607 1.00 52.44 O ATOM 621 CG2 THR A 44 7.024 -13.342 -3.130 1.00 14.14 C ATOM 0 H THR A 44 6.463 -13.849 0.742 1.00 74.34 H new ATOM 0 HA THR A 44 8.396 -14.692 -1.224 1.00 11.23 H new ATOM 0 HB THR A 44 6.202 -12.590 -1.287 1.00 22.44 H new ATOM 0 HG1 THR A 44 5.078 -14.575 -2.138 1.00 52.44 H new ATOM 0 HG21 THR A 44 6.121 -13.113 -3.696 1.00 14.14 H new ATOM 0 HG22 THR A 44 7.741 -12.529 -3.246 1.00 14.14 H new ATOM 0 HG23 THR A 44 7.461 -14.268 -3.503 1.00 14.14 H new ATOM 629 N ALA A 45 8.670 -11.706 0.052 1.00 33.41 N ATOM 630 CA ALA A 45 9.573 -10.575 0.172 1.00 3.20 C ATOM 631 C ALA A 45 10.917 -11.057 0.722 1.00 43.12 C ATOM 632 O ALA A 45 11.970 -10.568 0.314 1.00 30.51 O ATOM 633 CB ALA A 45 8.933 -9.502 1.055 1.00 3.30 C ATOM 0 H ALA A 45 7.840 -11.653 0.642 1.00 33.41 H new ATOM 0 HA ALA A 45 9.758 -10.126 -0.804 1.00 3.20 H new ATOM 0 HB1 ALA A 45 9.611 -8.653 1.145 1.00 3.30 H new ATOM 0 HB2 ALA A 45 7.996 -9.172 0.606 1.00 3.30 H new ATOM 0 HB3 ALA A 45 8.735 -9.915 2.044 1.00 3.30 H new ATOM 639 N GLU A 46 10.838 -12.010 1.639 1.00 53.30 N ATOM 640 CA GLU A 46 12.035 -12.563 2.249 1.00 72.32 C ATOM 641 C GLU A 46 12.957 -13.145 1.175 1.00 11.04 C ATOM 642 O GLU A 46 14.179 -13.061 1.290 1.00 53.23 O ATOM 643 CB GLU A 46 11.678 -13.620 3.296 1.00 0.13 C ATOM 644 CG GLU A 46 12.901 -14.463 3.663 1.00 72.42 C ATOM 645 CD GLU A 46 12.649 -15.269 4.939 1.00 53.20 C ATOM 646 OE1 GLU A 46 12.270 -16.447 4.864 1.00 72.13 O ATOM 647 OE2 GLU A 46 12.861 -14.629 6.039 1.00 41.34 O ATOM 0 H GLU A 46 9.963 -12.413 1.974 1.00 53.30 H new ATOM 0 HA GLU A 46 12.565 -11.758 2.759 1.00 72.32 H new ATOM 0 HB2 GLU A 46 11.285 -13.134 4.189 1.00 0.13 H new ATOM 0 HB3 GLU A 46 10.889 -14.266 2.911 1.00 0.13 H new ATOM 0 HG2 GLU A 46 13.140 -15.140 2.843 1.00 72.42 H new ATOM 0 HG3 GLU A 46 13.766 -13.814 3.803 1.00 72.42 H new ATOM 655 N LYS A 47 12.336 -13.722 0.157 1.00 45.02 N ATOM 656 CA LYS A 47 13.086 -14.317 -0.936 1.00 63.42 C ATOM 657 C LYS A 47 13.859 -13.223 -1.675 1.00 13.41 C ATOM 658 O LYS A 47 14.995 -13.435 -2.095 1.00 21.22 O ATOM 659 CB LYS A 47 12.160 -15.133 -1.840 1.00 15.10 C ATOM 660 CG LYS A 47 11.287 -16.083 -1.017 1.00 4.04 C ATOM 661 CD LYS A 47 12.084 -16.698 0.136 1.00 72.22 C ATOM 662 CE LYS A 47 13.334 -17.413 -0.382 1.00 11.44 C ATOM 663 NZ LYS A 47 13.021 -18.816 -0.734 1.00 13.42 N ATOM 0 H LYS A 47 11.322 -13.790 0.066 1.00 45.02 H new ATOM 0 HA LYS A 47 13.822 -15.023 -0.552 1.00 63.42 H new ATOM 0 HB2 LYS A 47 11.527 -14.461 -2.419 1.00 15.10 H new ATOM 0 HB3 LYS A 47 12.754 -15.705 -2.553 1.00 15.10 H new ATOM 0 HG2 LYS A 47 10.427 -15.542 -0.622 1.00 4.04 H new ATOM 0 HG3 LYS A 47 10.899 -16.874 -1.659 1.00 4.04 H new ATOM 0 HD2 LYS A 47 12.372 -15.918 0.840 1.00 72.22 H new ATOM 0 HD3 LYS A 47 11.457 -17.403 0.681 1.00 72.22 H new ATOM 0 HE2 LYS A 47 13.723 -16.891 -1.256 1.00 11.44 H new ATOM 0 HE3 LYS A 47 14.115 -17.388 0.378 1.00 11.44 H new ATOM 0 HZ1 LYS A 47 13.880 -19.286 -1.084 1.00 13.42 H new ATOM 0 HZ2 LYS A 47 12.671 -19.316 0.108 1.00 13.42 H new ATOM 0 HZ3 LYS A 47 12.291 -18.834 -1.475 1.00 13.42 H new ATOM 676 N VAL A 48 13.211 -12.075 -1.811 1.00 52.10 N ATOM 677 CA VAL A 48 13.823 -10.946 -2.492 1.00 34.42 C ATOM 678 C VAL A 48 14.937 -10.371 -1.615 1.00 53.54 C ATOM 679 O VAL A 48 15.995 -9.996 -2.117 1.00 64.14 O ATOM 680 CB VAL A 48 12.754 -9.913 -2.856 1.00 64.43 C ATOM 681 CG1 VAL A 48 13.391 -8.645 -3.429 1.00 33.33 C ATOM 682 CG2 VAL A 48 11.732 -10.502 -3.831 1.00 23.12 C ATOM 0 H VAL A 48 12.269 -11.902 -1.461 1.00 52.10 H new ATOM 0 HA VAL A 48 14.279 -11.265 -3.429 1.00 34.42 H new ATOM 0 HB VAL A 48 12.226 -9.640 -1.942 1.00 64.43 H new ATOM 0 HG11 VAL A 48 12.610 -7.927 -3.680 1.00 33.33 H new ATOM 0 HG12 VAL A 48 14.062 -8.208 -2.689 1.00 33.33 H new ATOM 0 HG13 VAL A 48 13.956 -8.895 -4.327 1.00 33.33 H new ATOM 0 HG21 VAL A 48 10.984 -9.748 -4.073 1.00 23.12 H new ATOM 0 HG22 VAL A 48 12.239 -10.817 -4.743 1.00 23.12 H new ATOM 0 HG23 VAL A 48 11.245 -11.362 -3.372 1.00 23.12 H new ATOM 692 N PHE A 49 14.660 -10.318 -0.321 1.00 10.12 N ATOM 693 CA PHE A 49 15.626 -9.794 0.630 1.00 14.02 C ATOM 694 C PHE A 49 16.867 -10.686 0.699 1.00 34.34 C ATOM 695 O PHE A 49 17.990 -10.189 0.764 1.00 30.40 O ATOM 696 CB PHE A 49 14.944 -9.782 2.000 1.00 74.24 C ATOM 697 CG PHE A 49 15.911 -9.637 3.176 1.00 45.23 C ATOM 698 CD1 PHE A 49 17.082 -8.963 3.014 1.00 72.11 C ATOM 699 CD2 PHE A 49 15.602 -10.181 4.383 1.00 74.43 C ATOM 700 CE1 PHE A 49 17.980 -8.828 4.105 1.00 21.32 C ATOM 701 CE2 PHE A 49 16.500 -10.047 5.474 1.00 0.41 C ATOM 702 CZ PHE A 49 17.670 -9.373 5.312 1.00 3.13 C ATOM 0 H PHE A 49 13.781 -10.629 0.092 1.00 10.12 H new ATOM 0 HA PHE A 49 15.945 -8.797 0.325 1.00 14.02 H new ATOM 0 HB2 PHE A 49 14.227 -8.962 2.030 1.00 74.24 H new ATOM 0 HB3 PHE A 49 14.378 -10.706 2.120 1.00 74.24 H new ATOM 0 HD1 PHE A 49 17.328 -8.531 2.055 1.00 72.11 H new ATOM 0 HD2 PHE A 49 14.672 -10.716 4.512 1.00 74.43 H new ATOM 0 HE1 PHE A 49 18.909 -8.293 3.977 1.00 21.32 H new ATOM 0 HE2 PHE A 49 16.254 -10.480 6.432 1.00 0.41 H new ATOM 0 HZ PHE A 49 18.353 -9.270 6.142 1.00 3.13 H new ATOM 712 N LYS A 50 16.622 -11.988 0.684 1.00 73.35 N ATOM 713 CA LYS A 50 17.705 -12.954 0.744 1.00 64.43 C ATOM 714 C LYS A 50 18.484 -12.923 -0.573 1.00 22.32 C ATOM 715 O LYS A 50 19.698 -13.124 -0.585 1.00 73.42 O ATOM 716 CB LYS A 50 17.168 -14.340 1.108 1.00 42.01 C ATOM 717 CG LYS A 50 16.356 -14.290 2.404 1.00 51.05 C ATOM 718 CD LYS A 50 17.209 -14.709 3.602 1.00 4.33 C ATOM 719 CE LYS A 50 16.509 -14.369 4.919 1.00 31.14 C ATOM 720 NZ LYS A 50 17.494 -13.925 5.931 1.00 50.23 N ATOM 0 H LYS A 50 15.689 -12.396 0.631 1.00 73.35 H new ATOM 0 HA LYS A 50 18.406 -12.691 1.536 1.00 64.43 H new ATOM 0 HB2 LYS A 50 16.544 -14.716 0.298 1.00 42.01 H new ATOM 0 HB3 LYS A 50 17.998 -15.037 1.221 1.00 42.01 H new ATOM 0 HG2 LYS A 50 15.975 -13.281 2.560 1.00 51.05 H new ATOM 0 HG3 LYS A 50 15.491 -14.948 2.321 1.00 51.05 H new ATOM 0 HD2 LYS A 50 17.405 -15.780 3.556 1.00 4.33 H new ATOM 0 HD3 LYS A 50 18.175 -14.206 3.559 1.00 4.33 H new ATOM 0 HE2 LYS A 50 15.771 -13.584 4.753 1.00 31.14 H new ATOM 0 HE3 LYS A 50 15.970 -15.242 5.287 1.00 31.14 H new ATOM 0 HZ1 LYS A 50 16.997 -13.650 6.802 1.00 50.23 H new ATOM 0 HZ2 LYS A 50 18.153 -14.703 6.139 1.00 50.23 H new ATOM 0 HZ3 LYS A 50 18.026 -13.110 5.564 1.00 50.23 H new ATOM 733 N GLN A 51 17.755 -12.670 -1.649 1.00 54.32 N ATOM 734 CA GLN A 51 18.362 -12.610 -2.968 1.00 12.41 C ATOM 735 C GLN A 51 19.178 -11.324 -3.119 1.00 33.14 C ATOM 736 O GLN A 51 20.182 -11.302 -3.828 1.00 40.34 O ATOM 737 CB GLN A 51 17.301 -12.718 -4.065 1.00 43.44 C ATOM 738 CG GLN A 51 17.931 -13.130 -5.398 1.00 11.34 C ATOM 739 CD GLN A 51 18.541 -14.530 -5.306 1.00 10.11 C ATOM 740 OE1 GLN A 51 19.694 -14.755 -5.635 1.00 21.45 O ATOM 741 NE2 GLN A 51 17.705 -15.455 -4.842 1.00 4.21 N ATOM 0 H GLN A 51 16.749 -12.504 -1.635 1.00 54.32 H new ATOM 0 HA GLN A 51 19.036 -13.460 -3.075 1.00 12.41 H new ATOM 0 HB2 GLN A 51 16.545 -13.448 -3.775 1.00 43.44 H new ATOM 0 HB3 GLN A 51 16.792 -11.761 -4.179 1.00 43.44 H new ATOM 0 HG2 GLN A 51 17.175 -13.109 -6.183 1.00 11.34 H new ATOM 0 HG3 GLN A 51 18.701 -12.411 -5.678 1.00 11.34 H new ATOM 0 HE21 GLN A 51 16.752 -15.198 -4.585 1.00 4.21 H new ATOM 0 HE22 GLN A 51 18.017 -16.421 -4.743 1.00 4.21 H new ATOM 750 N TYR A 52 18.716 -10.285 -2.439 1.00 53.21 N ATOM 751 CA TYR A 52 19.390 -8.999 -2.488 1.00 41.35 C ATOM 752 C TYR A 52 20.768 -9.076 -1.828 1.00 20.31 C ATOM 753 O TYR A 52 21.770 -8.689 -2.427 1.00 22.12 O ATOM 754 CB TYR A 52 18.511 -8.031 -1.694 1.00 52.33 C ATOM 755 CG TYR A 52 18.384 -6.644 -2.327 1.00 54.41 C ATOM 756 CD1 TYR A 52 19.412 -5.731 -2.202 1.00 73.23 C ATOM 757 CD2 TYR A 52 17.241 -6.305 -3.023 1.00 11.42 C ATOM 758 CE1 TYR A 52 19.292 -4.426 -2.798 1.00 0.41 C ATOM 759 CE2 TYR A 52 17.121 -4.999 -3.618 1.00 62.04 C ATOM 760 CZ TYR A 52 18.153 -4.124 -3.477 1.00 13.04 C ATOM 761 OH TYR A 52 18.040 -2.891 -4.039 1.00 53.11 O ATOM 0 H TYR A 52 17.883 -10.308 -1.851 1.00 53.21 H new ATOM 0 HA TYR A 52 19.535 -8.681 -3.521 1.00 41.35 H new ATOM 0 HB2 TYR A 52 17.516 -8.463 -1.588 1.00 52.33 H new ATOM 0 HB3 TYR A 52 18.921 -7.925 -0.690 1.00 52.33 H new ATOM 0 HD1 TYR A 52 20.306 -5.996 -1.657 1.00 73.23 H new ATOM 0 HD2 TYR A 52 16.437 -7.019 -3.121 1.00 11.42 H new ATOM 0 HE1 TYR A 52 20.089 -3.703 -2.708 1.00 0.41 H new ATOM 0 HE2 TYR A 52 16.232 -4.721 -4.164 1.00 62.04 H new ATOM 0 HH TYR A 52 17.174 -2.816 -4.492 1.00 53.11 H new ATOM 771 N ALA A 53 20.774 -9.579 -0.602 1.00 72.42 N ATOM 772 CA ALA A 53 22.012 -9.713 0.146 1.00 1.22 C ATOM 773 C ALA A 53 22.972 -10.622 -0.623 1.00 23.51 C ATOM 774 O ALA A 53 24.177 -10.376 -0.652 1.00 60.13 O ATOM 775 CB ALA A 53 21.706 -10.241 1.549 1.00 25.02 C ATOM 0 H ALA A 53 19.941 -9.899 -0.108 1.00 72.42 H new ATOM 0 HA ALA A 53 22.498 -8.744 0.261 1.00 1.22 H new ATOM 0 HB1 ALA A 53 22.635 -10.342 2.110 1.00 25.02 H new ATOM 0 HB2 ALA A 53 21.045 -9.544 2.064 1.00 25.02 H new ATOM 0 HB3 ALA A 53 21.220 -11.214 1.474 1.00 25.02 H new ATOM 781 N ASN A 54 22.403 -11.655 -1.227 1.00 34.13 N ATOM 782 CA ASN A 54 23.193 -12.603 -1.994 1.00 11.21 C ATOM 783 C ASN A 54 23.814 -11.888 -3.196 1.00 13.44 C ATOM 784 O ASN A 54 24.964 -12.144 -3.549 1.00 13.11 O ATOM 785 CB ASN A 54 22.323 -13.746 -2.521 1.00 41.43 C ATOM 786 CG ASN A 54 22.294 -14.913 -1.533 1.00 72.43 C ATOM 787 OD1 ASN A 54 22.625 -16.042 -1.857 1.00 33.35 O ATOM 788 ND2 ASN A 54 21.880 -14.580 -0.314 1.00 61.11 N ATOM 0 H ASN A 54 21.403 -11.856 -1.201 1.00 34.13 H new ATOM 0 HA ASN A 54 23.963 -13.009 -1.338 1.00 11.21 H new ATOM 0 HB2 ASN A 54 21.309 -13.386 -2.694 1.00 41.43 H new ATOM 0 HB3 ASN A 54 22.708 -14.088 -3.482 1.00 41.43 H new ATOM 0 HD21 ASN A 54 21.825 -15.289 0.417 1.00 61.11 H new ATOM 0 HD22 ASN A 54 21.618 -13.616 -0.110 1.00 61.11 H new ATOM 795 N ASP A 55 23.025 -11.005 -3.791 1.00 32.04 N ATOM 796 CA ASP A 55 23.483 -10.251 -4.945 1.00 54.03 C ATOM 797 C ASP A 55 24.646 -9.348 -4.531 1.00 21.12 C ATOM 798 O ASP A 55 25.440 -8.927 -5.371 1.00 54.20 O ATOM 799 CB ASP A 55 22.368 -9.361 -5.499 1.00 70.33 C ATOM 800 CG ASP A 55 22.486 -9.028 -6.988 1.00 30.50 C ATOM 801 OD1 ASP A 55 22.657 -7.861 -7.370 1.00 21.22 O ATOM 802 OD2 ASP A 55 22.394 -10.041 -7.782 1.00 31.01 O ATOM 0 H ASP A 55 22.072 -10.795 -3.495 1.00 32.04 H new ATOM 0 HA ASP A 55 23.792 -10.962 -5.711 1.00 54.03 H new ATOM 0 HB2 ASP A 55 21.411 -9.854 -5.327 1.00 70.33 H new ATOM 0 HB3 ASP A 55 22.353 -8.429 -4.934 1.00 70.33 H new ATOM 808 N ASN A 56 24.711 -9.077 -3.235 1.00 71.54 N ATOM 809 CA ASN A 56 25.764 -8.232 -2.699 1.00 62.32 C ATOM 810 C ASN A 56 26.926 -9.109 -2.228 1.00 32.52 C ATOM 811 O ASN A 56 28.046 -8.628 -2.064 1.00 54.40 O ATOM 812 CB ASN A 56 25.265 -7.424 -1.500 1.00 30.33 C ATOM 813 CG ASN A 56 24.211 -6.401 -1.928 1.00 45.12 C ATOM 814 OD1 ASN A 56 23.388 -6.837 -2.877 1.00 15.44 O flip ATOM 815 ND2 ASN A 56 24.151 -5.289 -1.431 1.00 33.33 N flip ATOM 0 H ASN A 56 24.051 -9.428 -2.541 1.00 71.54 H new ATOM 0 HA ASN A 56 26.082 -7.549 -3.487 1.00 62.32 H new ATOM 0 HB2 ASN A 56 24.842 -8.097 -0.754 1.00 30.33 H new ATOM 0 HB3 ASN A 56 26.103 -6.912 -1.028 1.00 30.33 H new ATOM 0 HD21 ASN A 56 24.815 -5.018 -0.706 1.00 33.33 H new ATOM 0 HD22 ASN A 56 23.437 -4.630 -1.741 1.00 33.33 H new ATOM 822 N GLY A 57 26.619 -10.382 -2.023 1.00 61.00 N ATOM 823 CA GLY A 57 27.624 -11.331 -1.574 1.00 14.02 C ATOM 824 C GLY A 57 28.020 -11.063 -0.120 1.00 41.15 C ATOM 825 O GLY A 57 29.122 -11.413 0.301 1.00 55.32 O ATOM 0 H GLY A 57 25.689 -10.778 -2.160 1.00 61.00 H new ATOM 0 HA2 GLY A 57 27.239 -12.346 -1.669 1.00 14.02 H new ATOM 0 HA3 GLY A 57 28.505 -11.263 -2.213 1.00 14.02 H new ATOM 829 N VAL A 58 27.101 -10.444 0.606 1.00 73.42 N ATOM 830 CA VAL A 58 27.340 -10.125 2.003 1.00 65.31 C ATOM 831 C VAL A 58 26.425 -10.981 2.881 1.00 4.13 C ATOM 832 O VAL A 58 25.228 -11.085 2.620 1.00 51.11 O ATOM 833 CB VAL A 58 27.159 -8.624 2.235 1.00 4.14 C ATOM 834 CG1 VAL A 58 27.147 -8.298 3.730 1.00 34.22 C ATOM 835 CG2 VAL A 58 28.241 -7.822 1.509 1.00 61.34 C ATOM 0 H VAL A 58 26.189 -10.155 0.253 1.00 73.42 H new ATOM 0 HA VAL A 58 28.368 -10.361 2.278 1.00 65.31 H new ATOM 0 HB VAL A 58 26.193 -8.336 1.821 1.00 4.14 H new ATOM 0 HG11 VAL A 58 27.017 -7.225 3.867 1.00 34.22 H new ATOM 0 HG12 VAL A 58 26.325 -8.828 4.211 1.00 34.22 H new ATOM 0 HG13 VAL A 58 28.091 -8.609 4.178 1.00 34.22 H new ATOM 0 HG21 VAL A 58 28.089 -6.758 1.691 1.00 61.34 H new ATOM 0 HG22 VAL A 58 29.223 -8.117 1.880 1.00 61.34 H new ATOM 0 HG23 VAL A 58 28.183 -8.019 0.439 1.00 61.34 H new ATOM 845 N ASP A 59 27.024 -11.572 3.905 1.00 41.41 N ATOM 846 CA ASP A 59 26.278 -12.415 4.823 1.00 11.24 C ATOM 847 C ASP A 59 26.840 -12.245 6.236 1.00 0.22 C ATOM 848 O ASP A 59 28.052 -12.132 6.417 1.00 55.03 O ATOM 849 CB ASP A 59 26.401 -13.891 4.440 1.00 43.21 C ATOM 850 CG ASP A 59 25.894 -14.240 3.039 1.00 15.35 C ATOM 851 OD1 ASP A 59 26.644 -14.178 2.054 1.00 12.52 O ATOM 852 OD2 ASP A 59 24.654 -14.593 2.981 1.00 1.42 O ATOM 0 H ASP A 59 28.017 -11.483 4.119 1.00 41.41 H new ATOM 0 HA ASP A 59 25.230 -12.117 4.778 1.00 11.24 H new ATOM 0 HB2 ASP A 59 27.448 -14.184 4.515 1.00 43.21 H new ATOM 0 HB3 ASP A 59 25.851 -14.487 5.168 1.00 43.21 H new ATOM 858 N GLY A 60 25.933 -12.232 7.202 1.00 40.12 N ATOM 859 CA GLY A 60 26.323 -12.078 8.593 1.00 2.50 C ATOM 860 C GLY A 60 25.115 -12.224 9.521 1.00 63.23 C ATOM 861 O GLY A 60 24.489 -13.282 9.568 1.00 51.24 O ATOM 0 H GLY A 60 24.929 -12.326 7.049 1.00 40.12 H new ATOM 0 HA2 GLY A 60 27.075 -12.825 8.848 1.00 2.50 H new ATOM 0 HA3 GLY A 60 26.782 -11.100 8.739 1.00 2.50 H new ATOM 865 N GLU A 61 24.825 -11.148 10.236 1.00 13.50 N ATOM 866 CA GLU A 61 23.703 -11.143 11.160 1.00 61.12 C ATOM 867 C GLU A 61 22.463 -10.553 10.486 1.00 75.53 C ATOM 868 O GLU A 61 22.440 -9.372 10.144 1.00 14.03 O ATOM 869 CB GLU A 61 24.049 -10.377 12.438 1.00 13.12 C ATOM 870 CG GLU A 61 23.033 -10.669 13.544 1.00 32.33 C ATOM 871 CD GLU A 61 23.209 -9.706 14.720 1.00 44.45 C ATOM 872 OE1 GLU A 61 23.137 -8.482 14.534 1.00 45.31 O ATOM 873 OE2 GLU A 61 23.427 -10.270 15.859 1.00 3.41 O ATOM 0 H GLU A 61 25.347 -10.273 10.195 1.00 13.50 H new ATOM 0 HA GLU A 61 23.484 -12.173 11.441 1.00 61.12 H new ATOM 0 HB2 GLU A 61 25.048 -10.655 12.774 1.00 13.12 H new ATOM 0 HB3 GLU A 61 24.069 -9.307 12.231 1.00 13.12 H new ATOM 0 HG2 GLU A 61 22.022 -10.581 13.146 1.00 32.33 H new ATOM 0 HG3 GLU A 61 23.152 -11.696 13.890 1.00 32.33 H new ATOM 881 N TRP A 62 21.461 -11.404 10.314 1.00 0.31 N ATOM 882 CA TRP A 62 20.220 -10.982 9.687 1.00 41.31 C ATOM 883 C TRP A 62 19.214 -10.664 10.795 1.00 5.43 C ATOM 884 O TRP A 62 18.943 -11.504 11.651 1.00 15.35 O ATOM 885 CB TRP A 62 19.714 -12.041 8.706 1.00 34.12 C ATOM 886 CG TRP A 62 20.653 -12.297 7.526 1.00 3.41 C ATOM 887 CD1 TRP A 62 21.935 -12.687 7.561 1.00 12.34 C ATOM 888 CD2 TRP A 62 20.331 -12.164 6.126 1.00 52.43 C ATOM 889 NE1 TRP A 62 22.460 -12.814 6.291 1.00 31.14 N ATOM 890 CE2 TRP A 62 21.453 -12.486 5.391 1.00 63.03 C ATOM 891 CE3 TRP A 62 19.130 -11.783 5.501 1.00 61.53 C ATOM 892 CZ2 TRP A 62 21.487 -12.461 3.991 1.00 13.03 C ATOM 893 CZ3 TRP A 62 19.180 -11.763 4.102 1.00 72.44 C ATOM 894 CH2 TRP A 62 20.302 -12.085 3.347 1.00 30.11 C ATOM 0 H TRP A 62 21.484 -12.383 10.598 1.00 0.31 H new ATOM 0 HA TRP A 62 20.376 -10.083 9.090 1.00 41.31 H new ATOM 0 HB2 TRP A 62 19.561 -12.976 9.244 1.00 34.12 H new ATOM 0 HB3 TRP A 62 18.742 -11.731 8.323 1.00 34.12 H new ATOM 0 HD1 TRP A 62 22.488 -12.878 8.469 1.00 12.34 H new ATOM 0 HE1 TRP A 62 23.412 -13.096 6.056 1.00 31.14 H new ATOM 0 HE3 TRP A 62 18.240 -11.526 6.056 1.00 61.53 H new ATOM 0 HZ2 TRP A 62 22.379 -12.718 3.438 1.00 13.03 H new ATOM 0 HZ3 TRP A 62 18.284 -11.477 3.572 1.00 72.44 H new ATOM 0 HH2 TRP A 62 20.260 -12.045 2.269 1.00 30.11 H new ATOM 905 N THR A 63 18.690 -9.448 10.743 1.00 33.11 N ATOM 906 CA THR A 63 17.720 -9.009 11.732 1.00 1.40 C ATOM 907 C THR A 63 16.547 -8.301 11.051 1.00 70.21 C ATOM 908 O THR A 63 16.748 -7.448 10.188 1.00 62.11 O ATOM 909 CB THR A 63 18.449 -8.132 12.752 1.00 42.42 C ATOM 910 OG1 THR A 63 17.421 -7.707 13.643 1.00 42.04 O ATOM 911 CG2 THR A 63 18.971 -6.831 12.138 1.00 4.24 C ATOM 0 H THR A 63 18.919 -8.753 10.032 1.00 33.11 H new ATOM 0 HA THR A 63 17.284 -9.856 12.262 1.00 1.40 H new ATOM 0 HB THR A 63 19.281 -8.690 13.182 1.00 42.42 H new ATOM 0 HG1 THR A 63 17.807 -7.134 14.338 1.00 42.04 H new ATOM 0 HG21 THR A 63 19.480 -6.246 12.904 1.00 4.24 H new ATOM 0 HG22 THR A 63 19.670 -7.063 11.334 1.00 4.24 H new ATOM 0 HG23 THR A 63 18.135 -6.257 11.738 1.00 4.24 H new ATOM 919 N TYR A 64 15.347 -8.682 11.464 1.00 2.24 N ATOM 920 CA TYR A 64 14.142 -8.095 10.905 1.00 54.41 C ATOM 921 C TYR A 64 13.156 -7.708 12.010 1.00 61.43 C ATOM 922 O TYR A 64 12.959 -8.462 12.962 1.00 3.41 O ATOM 923 CB TYR A 64 13.510 -9.180 10.031 1.00 30.33 C ATOM 924 CG TYR A 64 11.994 -9.047 9.872 1.00 63.02 C ATOM 925 CD1 TYR A 64 11.472 -8.149 8.963 1.00 63.32 C ATOM 926 CD2 TYR A 64 11.149 -9.825 10.637 1.00 53.30 C ATOM 927 CE1 TYR A 64 10.046 -8.024 8.813 1.00 53.13 C ATOM 928 CE2 TYR A 64 9.722 -9.699 10.487 1.00 61.22 C ATOM 929 CZ TYR A 64 9.241 -8.805 9.582 1.00 10.01 C ATOM 930 OH TYR A 64 7.894 -8.687 9.440 1.00 14.53 O ATOM 0 H TYR A 64 15.184 -9.390 12.180 1.00 2.24 H new ATOM 0 HA TYR A 64 14.381 -7.192 10.343 1.00 54.41 H new ATOM 0 HB2 TYR A 64 13.972 -9.152 9.044 1.00 30.33 H new ATOM 0 HB3 TYR A 64 13.736 -10.156 10.461 1.00 30.33 H new ATOM 0 HD1 TYR A 64 12.133 -7.540 8.364 1.00 63.32 H new ATOM 0 HD2 TYR A 64 11.558 -10.528 11.348 1.00 53.30 H new ATOM 0 HE1 TYR A 64 9.625 -7.325 8.105 1.00 53.13 H new ATOM 0 HE2 TYR A 64 9.049 -10.301 11.080 1.00 61.22 H new ATOM 0 HH TYR A 64 7.447 -9.381 9.968 1.00 14.53 H new ATOM 940 N ASP A 65 12.563 -6.535 11.846 1.00 71.12 N ATOM 941 CA ASP A 65 11.603 -6.040 12.817 1.00 13.34 C ATOM 942 C ASP A 65 10.236 -5.890 12.146 1.00 11.44 C ATOM 943 O ASP A 65 10.036 -4.991 11.331 1.00 41.21 O ATOM 944 CB ASP A 65 12.019 -4.669 13.354 1.00 42.34 C ATOM 945 CG ASP A 65 12.801 -4.699 14.668 1.00 1.14 C ATOM 946 OD1 ASP A 65 14.038 -4.786 14.674 1.00 41.11 O ATOM 947 OD2 ASP A 65 12.078 -4.628 15.734 1.00 2.24 O ATOM 0 H ASP A 65 12.729 -5.913 11.055 1.00 71.12 H new ATOM 0 HA ASP A 65 11.560 -6.752 13.641 1.00 13.34 H new ATOM 0 HB2 ASP A 65 12.626 -4.169 12.599 1.00 42.34 H new ATOM 0 HB3 ASP A 65 11.123 -4.064 13.495 1.00 42.34 H new ATOM 953 N ASP A 66 9.330 -6.784 12.515 1.00 42.24 N ATOM 954 CA ASP A 66 7.988 -6.762 11.959 1.00 71.15 C ATOM 955 C ASP A 66 7.290 -5.465 12.372 1.00 42.30 C ATOM 956 O ASP A 66 6.320 -5.049 11.740 1.00 44.41 O ATOM 957 CB ASP A 66 7.156 -7.934 12.482 1.00 32.14 C ATOM 958 CG ASP A 66 5.907 -8.259 11.660 1.00 11.03 C ATOM 959 OD1 ASP A 66 5.057 -7.389 11.419 1.00 12.04 O ATOM 960 OD2 ASP A 66 5.824 -9.481 11.255 1.00 14.21 O ATOM 0 H ASP A 66 9.499 -7.528 13.192 1.00 42.24 H new ATOM 0 HA ASP A 66 8.071 -6.834 10.875 1.00 71.15 H new ATOM 0 HB2 ASP A 66 7.789 -8.821 12.519 1.00 32.14 H new ATOM 0 HB3 ASP A 66 6.852 -7.716 13.506 1.00 32.14 H new ATOM 966 N ALA A 67 7.811 -4.862 13.431 1.00 51.35 N ATOM 967 CA ALA A 67 7.250 -3.620 13.936 1.00 61.12 C ATOM 968 C ALA A 67 7.314 -2.554 12.841 1.00 50.35 C ATOM 969 O ALA A 67 6.414 -1.723 12.725 1.00 44.21 O ATOM 970 CB ALA A 67 7.998 -3.200 15.203 1.00 70.23 C ATOM 0 H ALA A 67 8.615 -5.210 13.953 1.00 51.35 H new ATOM 0 HA ALA A 67 6.202 -3.754 14.205 1.00 61.12 H new ATOM 0 HB1 ALA A 67 7.577 -2.269 15.582 1.00 70.23 H new ATOM 0 HB2 ALA A 67 7.897 -3.978 15.960 1.00 70.23 H new ATOM 0 HB3 ALA A 67 9.053 -3.054 14.971 1.00 70.23 H new ATOM 976 N THR A 68 8.386 -2.612 12.064 1.00 2.24 N ATOM 977 CA THR A 68 8.579 -1.661 10.982 1.00 23.34 C ATOM 978 C THR A 68 8.875 -2.396 9.674 1.00 61.14 C ATOM 979 O THR A 68 9.286 -1.781 8.691 1.00 11.41 O ATOM 980 CB THR A 68 9.686 -0.690 11.398 1.00 64.51 C ATOM 981 OG1 THR A 68 10.800 -1.534 11.679 1.00 41.21 O ATOM 982 CG2 THR A 68 9.393 -0.004 12.733 1.00 35.04 C ATOM 0 H THR A 68 9.130 -3.303 12.162 1.00 2.24 H new ATOM 0 HA THR A 68 7.674 -1.083 10.796 1.00 23.34 H new ATOM 0 HB THR A 68 9.816 0.065 10.623 1.00 64.51 H new ATOM 0 HG1 THR A 68 11.564 -0.986 11.955 1.00 41.21 H new ATOM 0 HG21 THR A 68 10.210 0.674 12.981 1.00 35.04 H new ATOM 0 HG22 THR A 68 8.464 0.561 12.656 1.00 35.04 H new ATOM 0 HG23 THR A 68 9.296 -0.757 13.515 1.00 35.04 H new ATOM 990 N LYS A 69 8.655 -3.702 9.703 1.00 74.24 N ATOM 991 CA LYS A 69 8.892 -4.528 8.531 1.00 43.54 C ATOM 992 C LYS A 69 10.176 -4.065 7.838 1.00 12.22 C ATOM 993 O LYS A 69 10.142 -3.627 6.689 1.00 24.31 O ATOM 994 CB LYS A 69 7.665 -4.526 7.616 1.00 25.14 C ATOM 995 CG LYS A 69 6.722 -5.679 7.964 1.00 74.14 C ATOM 996 CD LYS A 69 5.697 -5.251 9.017 1.00 63.05 C ATOM 997 CE LYS A 69 4.403 -4.769 8.358 1.00 2.31 C ATOM 998 NZ LYS A 69 3.467 -4.245 9.378 1.00 71.03 N ATOM 0 H LYS A 69 8.315 -4.209 10.520 1.00 74.24 H new ATOM 0 HA LYS A 69 9.042 -5.568 8.822 1.00 43.54 H new ATOM 0 HB2 LYS A 69 7.137 -3.577 7.712 1.00 25.14 H new ATOM 0 HB3 LYS A 69 7.982 -4.611 6.576 1.00 25.14 H new ATOM 0 HG2 LYS A 69 6.206 -6.015 7.065 1.00 74.14 H new ATOM 0 HG3 LYS A 69 7.299 -6.526 8.336 1.00 74.14 H new ATOM 0 HD2 LYS A 69 5.481 -6.088 9.681 1.00 63.05 H new ATOM 0 HD3 LYS A 69 6.114 -4.455 9.633 1.00 63.05 H new ATOM 0 HE2 LYS A 69 4.627 -3.991 7.628 1.00 2.31 H new ATOM 0 HE3 LYS A 69 3.936 -5.591 7.815 1.00 2.31 H new ATOM 0 HZ1 LYS A 69 2.594 -3.922 8.915 1.00 71.03 H new ATOM 0 HZ2 LYS A 69 3.240 -4.997 10.059 1.00 71.03 H new ATOM 0 HZ3 LYS A 69 3.909 -3.447 9.878 1.00 71.03 H new ATOM 1011 N THR A 70 11.277 -4.177 8.567 1.00 72.24 N ATOM 1012 CA THR A 70 12.569 -3.776 8.037 1.00 51.22 C ATOM 1013 C THR A 70 13.631 -4.825 8.371 1.00 5.53 C ATOM 1014 O THR A 70 13.671 -5.340 9.488 1.00 53.35 O ATOM 1015 CB THR A 70 12.894 -2.385 8.586 1.00 73.21 C ATOM 1016 OG1 THR A 70 11.996 -1.521 7.895 1.00 12.21 O ATOM 1017 CG2 THR A 70 14.281 -1.897 8.162 1.00 34.50 C ATOM 0 H THR A 70 11.301 -4.540 9.520 1.00 72.24 H new ATOM 0 HA THR A 70 12.549 -3.715 6.949 1.00 51.22 H new ATOM 0 HB THR A 70 12.832 -2.401 9.674 1.00 73.21 H new ATOM 0 HG1 THR A 70 11.101 -1.599 8.286 1.00 12.21 H new ATOM 0 HG21 THR A 70 14.461 -0.906 8.578 1.00 34.50 H new ATOM 0 HG22 THR A 70 15.039 -2.588 8.531 1.00 34.50 H new ATOM 0 HG23 THR A 70 14.333 -1.849 7.074 1.00 34.50 H new ATOM 1025 N PHE A 71 14.467 -5.109 7.383 1.00 22.55 N ATOM 1026 CA PHE A 71 15.527 -6.088 7.559 1.00 44.52 C ATOM 1027 C PHE A 71 16.904 -5.439 7.397 1.00 72.35 C ATOM 1028 O PHE A 71 17.091 -4.578 6.539 1.00 52.41 O ATOM 1029 CB PHE A 71 15.344 -7.146 6.470 1.00 72.23 C ATOM 1030 CG PHE A 71 13.929 -7.723 6.395 1.00 54.13 C ATOM 1031 CD1 PHE A 71 12.893 -6.934 6.000 1.00 20.42 C ATOM 1032 CD2 PHE A 71 13.706 -9.024 6.723 1.00 41.15 C ATOM 1033 CE1 PHE A 71 11.580 -7.470 5.931 1.00 54.53 C ATOM 1034 CE2 PHE A 71 12.393 -9.559 6.653 1.00 33.01 C ATOM 1035 CZ PHE A 71 11.357 -8.771 6.259 1.00 41.54 C ATOM 0 H PHE A 71 14.432 -4.679 6.459 1.00 22.55 H new ATOM 0 HA PHE A 71 15.473 -6.520 8.558 1.00 44.52 H new ATOM 0 HB2 PHE A 71 15.598 -6.707 5.505 1.00 72.23 H new ATOM 0 HB3 PHE A 71 16.048 -7.959 6.646 1.00 72.23 H new ATOM 0 HD1 PHE A 71 13.069 -5.901 5.739 1.00 20.42 H new ATOM 0 HD2 PHE A 71 14.528 -9.650 7.037 1.00 41.15 H new ATOM 0 HE1 PHE A 71 10.758 -6.844 5.618 1.00 54.53 H new ATOM 0 HE2 PHE A 71 12.217 -10.592 6.913 1.00 33.01 H new ATOM 0 HZ PHE A 71 10.358 -9.178 6.207 1.00 41.54 H new ATOM 1045 N THR A 72 17.832 -5.879 8.234 1.00 51.42 N ATOM 1046 CA THR A 72 19.186 -5.352 8.194 1.00 55.11 C ATOM 1047 C THR A 72 20.203 -6.494 8.228 1.00 42.23 C ATOM 1048 O THR A 72 20.073 -7.423 9.024 1.00 43.53 O ATOM 1049 CB THR A 72 19.343 -4.364 9.351 1.00 15.42 C ATOM 1050 OG1 THR A 72 18.085 -3.697 9.411 1.00 14.15 O ATOM 1051 CG2 THR A 72 20.341 -3.248 9.037 1.00 50.31 C ATOM 0 H THR A 72 17.673 -6.594 8.944 1.00 51.42 H new ATOM 0 HA THR A 72 19.375 -4.817 7.263 1.00 55.11 H new ATOM 0 HB THR A 72 19.666 -4.899 10.244 1.00 15.42 H new ATOM 0 HG1 THR A 72 18.098 -3.038 10.136 1.00 14.15 H new ATOM 0 HG21 THR A 72 20.415 -2.575 9.891 1.00 50.31 H new ATOM 0 HG22 THR A 72 21.320 -3.682 8.832 1.00 50.31 H new ATOM 0 HG23 THR A 72 20.001 -2.691 8.164 1.00 50.31 H new ATOM 1059 N VAL A 73 21.193 -6.387 7.354 1.00 63.42 N ATOM 1060 CA VAL A 73 22.233 -7.400 7.273 1.00 13.55 C ATOM 1061 C VAL A 73 23.561 -6.799 7.738 1.00 13.45 C ATOM 1062 O VAL A 73 24.062 -5.850 7.136 1.00 32.33 O ATOM 1063 CB VAL A 73 22.299 -7.970 5.855 1.00 32.44 C ATOM 1064 CG1 VAL A 73 23.602 -7.568 5.163 1.00 42.13 C ATOM 1065 CG2 VAL A 73 22.131 -9.491 5.868 1.00 24.23 C ATOM 0 H VAL A 73 21.297 -5.615 6.696 1.00 63.42 H new ATOM 0 HA VAL A 73 22.005 -8.236 7.934 1.00 13.55 H new ATOM 0 HB VAL A 73 21.473 -7.546 5.284 1.00 32.44 H new ATOM 0 HG11 VAL A 73 23.624 -7.986 4.157 1.00 42.13 H new ATOM 0 HG12 VAL A 73 23.663 -6.481 5.106 1.00 42.13 H new ATOM 0 HG13 VAL A 73 24.449 -7.950 5.733 1.00 42.13 H new ATOM 0 HG21 VAL A 73 22.182 -9.871 4.848 1.00 24.23 H new ATOM 0 HG22 VAL A 73 22.927 -9.940 6.463 1.00 24.23 H new ATOM 0 HG23 VAL A 73 21.165 -9.747 6.303 1.00 24.23 H new ATOM 1075 N THR A 74 24.093 -7.375 8.806 1.00 31.30 N ATOM 1076 CA THR A 74 25.353 -6.909 9.359 1.00 40.52 C ATOM 1077 C THR A 74 26.474 -7.901 9.044 1.00 33.53 C ATOM 1078 O THR A 74 26.418 -9.058 9.459 1.00 75.20 O ATOM 1079 CB THR A 74 25.153 -6.672 10.857 1.00 24.11 C ATOM 1080 OG1 THR A 74 23.842 -6.121 10.950 1.00 64.40 O ATOM 1081 CG2 THR A 74 26.061 -5.567 11.402 1.00 60.33 C ATOM 0 H THR A 74 23.674 -8.161 9.303 1.00 31.30 H new ATOM 0 HA THR A 74 25.660 -5.967 8.905 1.00 40.52 H new ATOM 0 HB THR A 74 25.343 -7.598 11.399 1.00 24.11 H new ATOM 0 HG1 THR A 74 23.630 -5.938 11.889 1.00 64.40 H new ATOM 0 HG21 THR A 74 25.879 -5.440 12.469 1.00 60.33 H new ATOM 0 HG22 THR A 74 27.104 -5.841 11.242 1.00 60.33 H new ATOM 0 HG23 THR A 74 25.848 -4.632 10.883 1.00 60.33 H new ATOM 1089 N GLU A 75 27.466 -7.413 8.314 1.00 35.40 N ATOM 1090 CA GLU A 75 28.598 -8.244 7.939 1.00 13.51 C ATOM 1091 C GLU A 75 29.756 -8.034 8.916 1.00 21.14 C ATOM 1092 O GLU A 75 30.078 -8.923 9.703 1.00 34.23 O ATOM 1093 CB GLU A 75 29.035 -7.957 6.501 1.00 31.52 C ATOM 1094 CG GLU A 75 29.785 -9.152 5.908 1.00 32.11 C ATOM 1095 CD GLU A 75 29.945 -9.002 4.394 1.00 72.11 C ATOM 1096 OE1 GLU A 75 29.990 -7.873 3.884 1.00 11.31 O ATOM 1097 OE2 GLU A 75 30.024 -10.112 3.741 1.00 24.15 O ATOM 0 H GLU A 75 27.510 -6.453 7.972 1.00 35.40 H new ATOM 0 HA GLU A 75 28.291 -9.289 7.989 1.00 13.51 H new ATOM 0 HB2 GLU A 75 28.161 -7.731 5.890 1.00 31.52 H new ATOM 0 HB3 GLU A 75 29.675 -7.075 6.481 1.00 31.52 H new ATOM 0 HG2 GLU A 75 30.766 -9.238 6.374 1.00 32.11 H new ATOM 0 HG3 GLU A 75 29.245 -10.072 6.131 1.00 32.11 H new