USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 577 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 108 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 109 CYS SG : rot 180:sc= 0.0287 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 13 SER OG : rot 180:sc= -0.399 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot -83:sc= 1.63 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -171:sc=-0.00595 (180deg=-0.138) USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.95 F(o=-2.3!,f=-0.95) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 33:sc= -0.619 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -83:sc= 0.953 USER MOD Single : A 98 GLN :FLIP amide:sc= 0.801! F(o=-0.065,f=0.8!) USER MOD Single : A 99 HIS : no HD1:sc= -1.24 X(o=-1.2,f=-1.2) USER MOD Single : A 100 SER OG : rot -80:sc= 0.0417 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 67:sc= 0.505 USER MOD ----------------------------------------------------------------- ATOM 69 N PHE A 6 -9.660 9.526 3.052 1.00 14.25 N ATOM 70 CA PHE A 6 -9.984 8.554 4.091 1.00 44.30 C ATOM 71 C PHE A 6 -8.984 7.403 4.089 1.00 63.40 C ATOM 72 O PHE A 6 -8.773 6.747 5.110 1.00 73.23 O ATOM 73 CB PHE A 6 -11.402 8.014 3.891 1.00 71.54 C ATOM 74 CG PHE A 6 -12.330 8.327 5.029 1.00 22.31 C ATOM 75 CD1 PHE A 6 -12.346 7.532 6.164 1.00 14.24 C ATOM 76 CD2 PHE A 6 -13.183 9.416 4.966 1.00 21.23 C ATOM 77 CE1 PHE A 6 -13.200 7.816 7.213 1.00 43.13 C ATOM 78 CE2 PHE A 6 -14.038 9.705 6.012 1.00 41.44 C ATOM 79 CZ PHE A 6 -14.046 8.906 7.137 1.00 1.44 C ATOM 0 HA PHE A 6 -9.928 9.059 5.056 1.00 44.30 H new ATOM 0 HB2 PHE A 6 -11.814 8.430 2.972 1.00 71.54 H new ATOM 0 HB3 PHE A 6 -11.355 6.933 3.758 1.00 71.54 H new ATOM 0 HD1 PHE A 6 -11.684 6.681 6.230 1.00 14.24 H new ATOM 0 HD2 PHE A 6 -13.180 10.047 4.089 1.00 21.23 H new ATOM 0 HE1 PHE A 6 -13.206 7.187 8.091 1.00 43.13 H new ATOM 0 HE2 PHE A 6 -14.700 10.556 5.949 1.00 41.44 H new ATOM 0 HZ PHE A 6 -14.712 9.132 7.956 1.00 1.44 H new ATOM 88 N TRP A 7 -8.371 7.162 2.936 1.00 74.30 N ATOM 89 CA TRP A 7 -7.392 6.088 2.799 1.00 51.43 C ATOM 90 C TRP A 7 -5.975 6.618 2.978 1.00 64.14 C ATOM 91 O TRP A 7 -5.009 5.854 2.969 1.00 2.43 O ATOM 92 CB TRP A 7 -7.530 5.416 1.432 1.00 1.21 C ATOM 93 CG TRP A 7 -8.655 4.428 1.367 1.00 60.21 C ATOM 94 CD1 TRP A 7 -9.616 4.217 2.314 1.00 13.35 C ATOM 95 CD2 TRP A 7 -8.933 3.515 0.300 1.00 21.11 C ATOM 96 NE1 TRP A 7 -10.476 3.228 1.899 1.00 2.33 N ATOM 97 CE2 TRP A 7 -10.079 2.782 0.667 1.00 60.53 C ATOM 98 CE3 TRP A 7 -8.328 3.248 -0.931 1.00 23.24 C ATOM 99 CZ2 TRP A 7 -10.628 1.800 -0.153 1.00 74.33 C ATOM 100 CZ3 TRP A 7 -8.873 2.273 -1.744 1.00 11.34 C ATOM 101 CH2 TRP A 7 -10.014 1.558 -1.353 1.00 42.44 C ATOM 0 H TRP A 7 -8.534 7.695 2.082 1.00 74.30 H new ATOM 0 HA TRP A 7 -7.585 5.352 3.579 1.00 51.43 H new ATOM 0 HB2 TRP A 7 -7.685 6.182 0.672 1.00 1.21 H new ATOM 0 HB3 TRP A 7 -6.596 4.909 1.188 1.00 1.21 H new ATOM 0 HD1 TRP A 7 -9.690 4.749 3.251 1.00 13.35 H new ATOM 0 HE1 TRP A 7 -11.280 2.883 2.424 1.00 2.33 H new ATOM 0 HE3 TRP A 7 -7.450 3.794 -1.241 1.00 23.24 H new ATOM 0 HZ2 TRP A 7 -11.507 1.249 0.147 1.00 74.33 H new ATOM 0 HZ3 TRP A 7 -8.412 2.058 -2.697 1.00 11.34 H new ATOM 0 HH2 TRP A 7 -10.416 0.802 -2.011 1.00 42.44 H new ATOM 111 N TYR A 8 -5.855 7.932 3.140 1.00 5.25 N ATOM 112 CA TYR A 8 -4.553 8.564 3.319 1.00 42.41 C ATOM 113 C TYR A 8 -4.420 9.149 4.722 1.00 45.42 C ATOM 114 O TYR A 8 -5.064 10.144 5.057 1.00 10.31 O ATOM 115 CB TYR A 8 -4.348 9.662 2.275 1.00 11.11 C ATOM 116 CG TYR A 8 -3.108 10.496 2.507 1.00 22.10 C ATOM 117 CD1 TYR A 8 -1.902 9.900 2.856 1.00 22.52 C ATOM 118 CD2 TYR A 8 -3.142 11.878 2.380 1.00 51.22 C ATOM 119 CE1 TYR A 8 -0.766 10.657 3.070 1.00 71.01 C ATOM 120 CE2 TYR A 8 -2.011 12.644 2.591 1.00 72.20 C ATOM 121 CZ TYR A 8 -0.827 12.029 2.936 1.00 24.45 C ATOM 122 OH TYR A 8 0.302 12.787 3.148 1.00 4.34 O ATOM 0 H TYR A 8 -6.643 8.579 3.151 1.00 5.25 H new ATOM 0 HA TYR A 8 -3.786 7.801 3.189 1.00 42.41 H new ATOM 0 HB2 TYR A 8 -4.289 9.205 1.287 1.00 11.11 H new ATOM 0 HB3 TYR A 8 -5.220 10.316 2.272 1.00 11.11 H new ATOM 0 HD1 TYR A 8 -1.852 8.826 2.962 1.00 22.52 H new ATOM 0 HD2 TYR A 8 -4.069 12.363 2.112 1.00 51.22 H new ATOM 0 HE1 TYR A 8 0.163 10.178 3.340 1.00 71.01 H new ATOM 0 HE2 TYR A 8 -2.055 13.718 2.486 1.00 72.20 H new ATOM 0 HH TYR A 8 0.090 13.734 3.013 1.00 4.34 H new ATOM 131 N LYS A 9 -3.577 8.526 5.539 1.00 55.24 N ATOM 132 CA LYS A 9 -3.357 8.984 6.906 1.00 70.33 C ATOM 133 C LYS A 9 -1.885 8.864 7.287 1.00 4.22 C ATOM 134 O LYS A 9 -1.346 7.769 7.441 1.00 24.43 O ATOM 135 CB LYS A 9 -4.215 8.176 7.882 1.00 71.31 C ATOM 136 CG LYS A 9 -5.707 8.394 7.704 1.00 44.42 C ATOM 137 CD LYS A 9 -6.134 9.764 8.206 1.00 32.33 C ATOM 138 CE LYS A 9 -7.509 9.717 8.853 1.00 70.21 C ATOM 139 NZ LYS A 9 -7.956 11.064 9.305 1.00 31.45 N ATOM 0 H LYS A 9 -3.035 7.702 5.278 1.00 55.24 H new ATOM 0 HA LYS A 9 -3.646 10.033 6.963 1.00 70.33 H new ATOM 0 HB2 LYS A 9 -3.994 7.116 7.756 1.00 71.31 H new ATOM 0 HB3 LYS A 9 -3.937 8.441 8.902 1.00 71.31 H new ATOM 0 HG2 LYS A 9 -5.967 8.294 6.650 1.00 44.42 H new ATOM 0 HG3 LYS A 9 -6.255 7.621 8.242 1.00 44.42 H new ATOM 0 HD2 LYS A 9 -5.404 10.132 8.927 1.00 32.33 H new ATOM 0 HD3 LYS A 9 -6.146 10.470 7.375 1.00 32.33 H new ATOM 0 HE2 LYS A 9 -8.231 9.314 8.143 1.00 70.21 H new ATOM 0 HE3 LYS A 9 -7.487 9.037 9.705 1.00 70.21 H new ATOM 0 HZ1 LYS A 9 -8.897 10.989 9.740 1.00 31.45 H new ATOM 0 HZ2 LYS A 9 -7.281 11.438 10.002 1.00 31.45 H new ATOM 0 HZ3 LYS A 9 -8.002 11.707 8.489 1.00 31.45 H new ATOM 149 N PRO A 10 -1.218 10.018 7.445 1.00 0.34 N ATOM 150 CA PRO A 10 0.200 10.068 7.814 1.00 62.53 C ATOM 151 C PRO A 10 0.443 9.617 9.250 1.00 42.24 C ATOM 152 O PRO A 10 1.456 8.986 9.551 1.00 14.01 O ATOM 153 CB PRO A 10 0.556 11.548 7.650 1.00 2.03 C ATOM 154 CG PRO A 10 -0.735 12.270 7.829 1.00 44.14 C ATOM 155 CD PRO A 10 -1.797 11.361 7.278 1.00 54.25 C ATOM 0 HA PRO A 10 0.804 9.399 7.201 1.00 62.53 H new ATOM 0 HB2 PRO A 10 1.292 11.863 8.390 1.00 2.03 H new ATOM 0 HB3 PRO A 10 0.987 11.745 6.668 1.00 2.03 H new ATOM 0 HG2 PRO A 10 -0.917 12.490 8.881 1.00 44.14 H new ATOM 0 HG3 PRO A 10 -0.725 13.224 7.301 1.00 44.14 H new ATOM 0 HD2 PRO A 10 -2.736 11.464 7.822 1.00 54.25 H new ATOM 0 HD3 PRO A 10 -2.009 11.580 6.231 1.00 54.25 H new ATOM 160 N HIS A 11 -0.494 9.946 10.134 1.00 5.21 N ATOM 161 CA HIS A 11 -0.381 9.573 11.540 1.00 4.41 C ATOM 162 C HIS A 11 -0.605 8.076 11.725 1.00 13.53 C ATOM 163 O HIS A 11 -0.142 7.484 12.701 1.00 71.44 O ATOM 164 CB HIS A 11 -1.389 10.360 12.380 1.00 21.13 C ATOM 165 CG HIS A 11 -1.145 11.837 12.381 1.00 23.32 C ATOM 166 ND1 HIS A 11 -2.113 12.761 12.052 1.00 14.25 N ATOM 167 CD2 HIS A 11 -0.033 12.550 12.677 1.00 64.04 C ATOM 168 CE1 HIS A 11 -1.608 13.978 12.142 1.00 45.41 C ATOM 169 NE2 HIS A 11 -0.346 13.877 12.520 1.00 50.33 N ATOM 0 H HIS A 11 -1.338 10.469 9.902 1.00 5.21 H new ATOM 0 HA HIS A 11 0.628 9.815 11.875 1.00 4.41 H new ATOM 0 HB2 HIS A 11 -2.393 10.166 12.003 1.00 21.13 H new ATOM 0 HB3 HIS A 11 -1.358 9.994 13.406 1.00 21.13 H new ATOM 0 HD2 HIS A 11 0.923 12.149 12.980 1.00 64.04 H new ATOM 0 HE1 HIS A 11 -2.136 14.898 11.941 1.00 45.41 H new ATOM 0 HE2 HIS A 11 0.292 14.658 12.671 1.00 50.33 H new ATOM 176 N LEU A 12 -1.321 7.469 10.784 1.00 62.24 N ATOM 177 CA LEU A 12 -1.607 6.040 10.843 1.00 42.42 C ATOM 178 C LEU A 12 -0.318 5.225 10.839 1.00 21.31 C ATOM 179 O LEU A 12 0.652 5.584 10.172 1.00 64.14 O ATOM 180 CB LEU A 12 -2.489 5.628 9.662 1.00 3.15 C ATOM 181 CG LEU A 12 -3.265 4.321 9.829 1.00 41.13 C ATOM 182 CD1 LEU A 12 -4.275 4.441 10.960 1.00 35.11 C ATOM 183 CD2 LEU A 12 -3.960 3.944 8.529 1.00 21.21 C ATOM 0 H LEU A 12 -1.714 7.944 9.972 1.00 62.24 H new ATOM 0 HA LEU A 12 -2.138 5.839 11.773 1.00 42.42 H new ATOM 0 HB2 LEU A 12 -3.203 6.429 9.470 1.00 3.15 H new ATOM 0 HB3 LEU A 12 -1.860 5.543 8.776 1.00 3.15 H new ATOM 0 HG LEU A 12 -2.558 3.531 10.083 1.00 41.13 H new ATOM 0 HD11 LEU A 12 -4.818 3.502 11.064 1.00 35.11 H new ATOM 0 HD12 LEU A 12 -3.754 4.664 11.891 1.00 35.11 H new ATOM 0 HD13 LEU A 12 -4.978 5.243 10.736 1.00 35.11 H new ATOM 0 HD21 LEU A 12 -4.507 3.011 8.666 1.00 21.21 H new ATOM 0 HD22 LEU A 12 -4.655 4.734 8.246 1.00 21.21 H new ATOM 0 HD23 LEU A 12 -3.216 3.816 7.743 1.00 21.21 H new ATOM 194 N SER A 13 -0.316 4.126 11.586 1.00 51.11 N ATOM 195 CA SER A 13 0.854 3.260 11.669 1.00 52.35 C ATOM 196 C SER A 13 0.692 2.038 10.769 1.00 44.21 C ATOM 197 O SER A 13 -0.403 1.751 10.286 1.00 51.24 O ATOM 198 CB SER A 13 1.084 2.816 13.115 1.00 61.02 C ATOM 199 OG SER A 13 2.124 1.857 13.194 1.00 13.44 O ATOM 0 H SER A 13 -1.112 3.814 12.143 1.00 51.11 H new ATOM 0 HA SER A 13 1.720 3.827 11.328 1.00 52.35 H new ATOM 0 HB2 SER A 13 1.335 3.681 13.729 1.00 61.02 H new ATOM 0 HB3 SER A 13 0.164 2.394 13.520 1.00 61.02 H new ATOM 0 HG SER A 13 2.253 1.590 14.128 1.00 13.44 H new ATOM 204 N ARG A 14 1.790 1.323 10.549 1.00 42.33 N ATOM 205 CA ARG A 14 1.771 0.134 9.707 1.00 11.34 C ATOM 206 C ARG A 14 0.756 -0.882 10.223 1.00 42.20 C ATOM 207 O ARG A 14 -0.030 -1.436 9.454 1.00 43.34 O ATOM 208 CB ARG A 14 3.162 -0.501 9.654 1.00 21.22 C ATOM 209 CG ARG A 14 3.761 -0.770 11.024 1.00 21.15 C ATOM 210 CD ARG A 14 3.606 -2.230 11.423 1.00 2.01 C ATOM 211 NE ARG A 14 3.543 -2.397 12.873 1.00 74.43 N ATOM 212 CZ ARG A 14 4.579 -2.200 13.681 1.00 41.21 C ATOM 213 NH1 ARG A 14 5.751 -1.831 13.184 1.00 5.21 N ATOM 214 NH2 ARG A 14 4.443 -2.372 14.990 1.00 73.45 N ATOM 0 H ARG A 14 2.704 1.547 10.942 1.00 42.33 H new ATOM 0 HA ARG A 14 1.478 0.436 8.702 1.00 11.34 H new ATOM 0 HB2 ARG A 14 3.103 -1.439 9.102 1.00 21.22 H new ATOM 0 HB3 ARG A 14 3.831 0.155 9.097 1.00 21.22 H new ATOM 0 HG2 ARG A 14 4.818 -0.503 11.019 1.00 21.15 H new ATOM 0 HG3 ARG A 14 3.276 -0.135 11.766 1.00 21.15 H new ATOM 0 HD2 ARG A 14 2.700 -2.635 10.972 1.00 2.01 H new ATOM 0 HD3 ARG A 14 4.444 -2.805 11.028 1.00 2.01 H new ATOM 0 HE ARG A 14 2.655 -2.680 13.288 1.00 74.43 H new ATOM 0 HH11 ARG A 14 5.859 -1.697 12.179 1.00 5.21 H new ATOM 0 HH12 ARG A 14 6.545 -1.681 13.807 1.00 5.21 H new ATOM 0 HH21 ARG A 14 3.543 -2.656 15.376 1.00 73.45 H new ATOM 0 HH22 ARG A 14 5.239 -2.221 15.610 1.00 73.45 H new ATOM 225 N ASP A 15 0.780 -1.122 11.530 1.00 53.01 N ATOM 226 CA ASP A 15 -0.139 -2.070 12.150 1.00 50.02 C ATOM 227 C ASP A 15 -1.589 -1.674 11.887 1.00 60.40 C ATOM 228 O ASP A 15 -2.428 -2.522 11.588 1.00 11.03 O ATOM 229 CB ASP A 15 0.116 -2.150 13.656 1.00 61.43 C ATOM 230 CG ASP A 15 0.318 -3.574 14.134 1.00 3.43 C ATOM 231 OD1 ASP A 15 1.274 -4.227 13.667 1.00 11.02 O ATOM 232 OD2 ASP A 15 -0.482 -4.037 14.975 1.00 42.12 O ATOM 0 H ASP A 15 1.425 -0.673 12.180 1.00 53.01 H new ATOM 0 HA ASP A 15 0.037 -3.050 11.707 1.00 50.02 H new ATOM 0 HB2 ASP A 15 0.997 -1.558 13.904 1.00 61.43 H new ATOM 0 HB3 ASP A 15 -0.726 -1.707 14.188 1.00 61.43 H new ATOM 236 N GLN A 16 -1.873 -0.381 12.001 1.00 44.21 N ATOM 237 CA GLN A 16 -3.221 0.126 11.778 1.00 55.53 C ATOM 238 C GLN A 16 -3.661 -0.112 10.337 1.00 33.14 C ATOM 239 O GLN A 16 -4.804 -0.489 10.082 1.00 51.45 O ATOM 240 CB GLN A 16 -3.288 1.620 12.103 1.00 71.21 C ATOM 241 CG GLN A 16 -3.048 1.935 13.571 1.00 22.34 C ATOM 242 CD GLN A 16 -4.263 2.542 14.244 1.00 21.20 C ATOM 243 OE1 GLN A 16 -4.338 3.755 14.436 1.00 3.31 O ATOM 244 NE2 GLN A 16 -5.223 1.699 14.605 1.00 63.00 N ATOM 0 H GLN A 16 -1.188 0.334 12.246 1.00 44.21 H new ATOM 0 HA GLN A 16 -3.898 -0.414 12.440 1.00 55.53 H new ATOM 0 HB2 GLN A 16 -2.548 2.148 11.501 1.00 71.21 H new ATOM 0 HB3 GLN A 16 -4.267 2.003 11.813 1.00 71.21 H new ATOM 0 HG2 GLN A 16 -2.767 1.021 14.094 1.00 22.34 H new ATOM 0 HG3 GLN A 16 -2.207 2.623 13.658 1.00 22.34 H new ATOM 0 HE21 GLN A 16 -5.119 0.700 14.426 1.00 63.00 H new ATOM 0 HE22 GLN A 16 -6.065 2.050 15.061 1.00 63.00 H new ATOM 251 N ALA A 17 -2.745 0.110 9.400 1.00 13.34 N ATOM 252 CA ALA A 17 -3.039 -0.084 7.985 1.00 65.53 C ATOM 253 C ALA A 17 -3.341 -1.547 7.681 1.00 3.23 C ATOM 254 O ALA A 17 -4.245 -1.855 6.905 1.00 35.03 O ATOM 255 CB ALA A 17 -1.876 0.404 7.134 1.00 41.10 C ATOM 0 H ALA A 17 -1.794 0.424 9.595 1.00 13.34 H new ATOM 0 HA ALA A 17 -3.926 0.500 7.741 1.00 65.53 H new ATOM 0 HB1 ALA A 17 -2.108 0.253 6.080 1.00 41.10 H new ATOM 0 HB2 ALA A 17 -1.708 1.465 7.321 1.00 41.10 H new ATOM 0 HB3 ALA A 17 -0.977 -0.156 7.391 1.00 41.10 H new ATOM 261 N ILE A 18 -2.579 -2.444 8.298 1.00 42.20 N ATOM 262 CA ILE A 18 -2.767 -3.875 8.093 1.00 10.44 C ATOM 263 C ILE A 18 -4.115 -4.336 8.636 1.00 55.44 C ATOM 264 O ILE A 18 -4.809 -5.133 8.007 1.00 11.25 O ATOM 265 CB ILE A 18 -1.649 -4.692 8.768 1.00 43.23 C ATOM 266 CG1 ILE A 18 -0.284 -4.288 8.208 1.00 13.05 C ATOM 267 CG2 ILE A 18 -1.889 -6.181 8.573 1.00 14.02 C ATOM 268 CD1 ILE A 18 0.869 -4.613 9.131 1.00 2.34 C ATOM 0 H ILE A 18 -1.826 -2.205 8.944 1.00 42.20 H new ATOM 0 HA ILE A 18 -2.733 -4.046 7.017 1.00 10.44 H new ATOM 0 HB ILE A 18 -1.659 -4.480 9.837 1.00 43.23 H new ATOM 0 HG12 ILE A 18 -0.128 -4.792 7.254 1.00 13.05 H new ATOM 0 HG13 ILE A 18 -0.286 -3.217 8.006 1.00 13.05 H new ATOM 0 HG21 ILE A 18 -1.091 -6.745 9.056 1.00 14.02 H new ATOM 0 HG22 ILE A 18 -2.846 -6.456 9.016 1.00 14.02 H new ATOM 0 HG23 ILE A 18 -1.902 -6.411 7.508 1.00 14.02 H new ATOM 0 HD11 ILE A 18 1.805 -4.299 8.669 1.00 2.34 H new ATOM 0 HD12 ILE A 18 0.737 -4.088 10.077 1.00 2.34 H new ATOM 0 HD13 ILE A 18 0.897 -5.687 9.313 1.00 2.34 H new ATOM 279 N ALA A 19 -4.482 -3.825 9.807 1.00 5.33 N ATOM 280 CA ALA A 19 -5.750 -4.182 10.433 1.00 45.25 C ATOM 281 C ALA A 19 -6.928 -3.650 9.625 1.00 41.35 C ATOM 282 O ALA A 19 -7.968 -4.302 9.524 1.00 53.25 O ATOM 283 CB ALA A 19 -5.801 -3.651 11.858 1.00 52.23 C ATOM 0 H ALA A 19 -3.920 -3.163 10.341 1.00 5.33 H new ATOM 0 HA ALA A 19 -5.823 -5.269 10.459 1.00 45.25 H new ATOM 0 HB1 ALA A 19 -6.753 -3.924 12.314 1.00 52.23 H new ATOM 0 HB2 ALA A 19 -4.984 -4.082 12.436 1.00 52.23 H new ATOM 0 HB3 ALA A 19 -5.703 -2.565 11.846 1.00 52.23 H new ATOM 289 N LEU A 20 -6.761 -2.463 9.052 1.00 44.20 N ATOM 290 CA LEU A 20 -7.812 -1.843 8.253 1.00 62.20 C ATOM 291 C LEU A 20 -7.967 -2.554 6.913 1.00 0.12 C ATOM 292 O LEU A 20 -9.062 -2.613 6.352 1.00 14.51 O ATOM 293 CB LEU A 20 -7.501 -0.362 8.025 1.00 34.35 C ATOM 294 CG LEU A 20 -8.701 0.536 7.724 1.00 71.34 C ATOM 295 CD1 LEU A 20 -9.313 1.060 9.013 1.00 30.23 C ATOM 296 CD2 LEU A 20 -8.289 1.689 6.821 1.00 61.34 C ATOM 0 H LEU A 20 -5.907 -1.910 9.126 1.00 44.20 H new ATOM 0 HA LEU A 20 -8.750 -1.930 8.801 1.00 62.20 H new ATOM 0 HB2 LEU A 20 -6.997 0.024 8.911 1.00 34.35 H new ATOM 0 HB3 LEU A 20 -6.796 -0.282 7.197 1.00 34.35 H new ATOM 0 HG LEU A 20 -9.453 -0.057 7.204 1.00 71.34 H new ATOM 0 HD11 LEU A 20 -10.166 1.697 8.778 1.00 30.23 H new ATOM 0 HD12 LEU A 20 -9.644 0.222 9.626 1.00 30.23 H new ATOM 0 HD13 LEU A 20 -8.568 1.638 9.561 1.00 30.23 H new ATOM 0 HD21 LEU A 20 -9.155 2.318 6.617 1.00 61.34 H new ATOM 0 HD22 LEU A 20 -7.519 2.281 7.315 1.00 61.34 H new ATOM 0 HD23 LEU A 20 -7.898 1.295 5.883 1.00 61.34 H new ATOM 307 N LEU A 21 -6.866 -3.095 6.405 1.00 71.54 N ATOM 308 CA LEU A 21 -6.879 -3.804 5.130 1.00 11.41 C ATOM 309 C LEU A 21 -7.491 -5.193 5.287 1.00 75.45 C ATOM 310 O LEU A 21 -8.245 -5.651 4.428 1.00 51.32 O ATOM 311 CB LEU A 21 -5.459 -3.921 4.573 1.00 43.43 C ATOM 312 CG LEU A 21 -4.958 -2.727 3.759 1.00 12.11 C ATOM 313 CD1 LEU A 21 -3.480 -2.883 3.438 1.00 73.54 C ATOM 314 CD2 LEU A 21 -5.771 -2.574 2.481 1.00 35.21 C ATOM 0 H LEU A 21 -5.952 -3.056 6.856 1.00 71.54 H new ATOM 0 HA LEU A 21 -7.490 -3.233 4.431 1.00 11.41 H new ATOM 0 HB2 LEU A 21 -4.775 -4.080 5.407 1.00 43.43 H new ATOM 0 HB3 LEU A 21 -5.408 -4.811 3.945 1.00 43.43 H new ATOM 0 HG LEU A 21 -5.085 -1.824 4.357 1.00 12.11 H new ATOM 0 HD11 LEU A 21 -3.141 -2.024 2.858 1.00 73.54 H new ATOM 0 HD12 LEU A 21 -2.911 -2.943 4.366 1.00 73.54 H new ATOM 0 HD13 LEU A 21 -3.328 -3.794 2.860 1.00 73.54 H new ATOM 0 HD21 LEU A 21 -5.401 -1.720 1.914 1.00 35.21 H new ATOM 0 HD22 LEU A 21 -5.676 -3.478 1.879 1.00 35.21 H new ATOM 0 HD23 LEU A 21 -6.819 -2.415 2.734 1.00 35.21 H new ATOM 325 N LYS A 22 -7.163 -5.858 6.389 1.00 43.04 N ATOM 326 CA LYS A 22 -7.682 -7.193 6.662 1.00 64.43 C ATOM 327 C LYS A 22 -9.146 -7.131 7.085 1.00 61.34 C ATOM 328 O LYS A 22 -9.832 -8.152 7.130 1.00 21.34 O ATOM 329 CB LYS A 22 -6.853 -7.871 7.755 1.00 60.32 C ATOM 330 CG LYS A 22 -7.148 -7.355 9.152 1.00 52.35 C ATOM 331 CD LYS A 22 -6.325 -8.081 10.201 1.00 24.32 C ATOM 332 CE LYS A 22 -7.040 -8.121 11.543 1.00 32.31 C ATOM 333 NZ LYS A 22 -6.782 -9.394 12.271 1.00 44.03 N ATOM 0 H LYS A 22 -6.539 -5.494 7.109 1.00 43.04 H new ATOM 0 HA LYS A 22 -7.611 -7.778 5.745 1.00 64.43 H new ATOM 0 HB2 LYS A 22 -7.039 -8.945 7.727 1.00 60.32 H new ATOM 0 HB3 LYS A 22 -5.795 -7.725 7.539 1.00 60.32 H new ATOM 0 HG2 LYS A 22 -6.937 -6.287 9.198 1.00 52.35 H new ATOM 0 HG3 LYS A 22 -8.209 -7.480 9.370 1.00 52.35 H new ATOM 0 HD2 LYS A 22 -6.122 -9.098 9.866 1.00 24.32 H new ATOM 0 HD3 LYS A 22 -5.361 -7.585 10.316 1.00 24.32 H new ATOM 0 HE2 LYS A 22 -6.712 -7.280 12.154 1.00 32.31 H new ATOM 0 HE3 LYS A 22 -8.112 -8.003 11.387 1.00 32.31 H new ATOM 0 HZ1 LYS A 22 -7.287 -9.382 13.180 1.00 44.03 H new ATOM 0 HZ2 LYS A 22 -7.118 -10.195 11.699 1.00 44.03 H new ATOM 0 HZ3 LYS A 22 -5.761 -9.495 12.443 1.00 44.03 H new ATOM 343 N ASP A 23 -9.619 -5.928 7.391 1.00 62.24 N ATOM 344 CA ASP A 23 -11.003 -5.732 7.807 1.00 34.43 C ATOM 345 C ASP A 23 -11.796 -5.001 6.729 1.00 11.12 C ATOM 346 O ASP A 23 -12.964 -4.662 6.924 1.00 34.15 O ATOM 347 CB ASP A 23 -11.057 -4.949 9.120 1.00 74.25 C ATOM 348 CG ASP A 23 -12.353 -5.175 9.875 1.00 61.32 C ATOM 349 OD1 ASP A 23 -12.874 -6.309 9.832 1.00 53.54 O ATOM 350 OD2 ASP A 23 -12.843 -4.219 10.509 1.00 3.22 O ATOM 0 H ASP A 23 -9.064 -5.073 7.359 1.00 62.24 H new ATOM 0 HA ASP A 23 -11.454 -6.713 7.960 1.00 34.43 H new ATOM 0 HB2 ASP A 23 -10.217 -5.242 9.750 1.00 74.25 H new ATOM 0 HB3 ASP A 23 -10.942 -3.885 8.911 1.00 74.25 H new ATOM 354 N LYS A 24 -11.154 -4.758 5.592 1.00 74.24 N ATOM 355 CA LYS A 24 -11.799 -4.066 4.481 1.00 13.02 C ATOM 356 C LYS A 24 -11.853 -4.956 3.244 1.00 53.10 C ATOM 357 O LYS A 24 -11.269 -6.039 3.220 1.00 70.52 O ATOM 358 CB LYS A 24 -11.052 -2.770 4.159 1.00 54.35 C ATOM 359 CG LYS A 24 -11.449 -1.602 5.045 1.00 60.40 C ATOM 360 CD LYS A 24 -12.592 -0.805 4.439 1.00 3.54 C ATOM 361 CE LYS A 24 -13.181 0.173 5.443 1.00 15.43 C ATOM 362 NZ LYS A 24 -14.078 -0.507 6.421 1.00 65.25 N ATOM 0 H LYS A 24 -10.187 -5.030 5.415 1.00 74.24 H new ATOM 0 HA LYS A 24 -12.820 -3.825 4.778 1.00 13.02 H new ATOM 0 HB2 LYS A 24 -9.981 -2.944 4.260 1.00 54.35 H new ATOM 0 HB3 LYS A 24 -11.235 -2.504 3.118 1.00 54.35 H new ATOM 0 HG2 LYS A 24 -11.743 -1.973 6.027 1.00 60.40 H new ATOM 0 HG3 LYS A 24 -10.589 -0.949 5.195 1.00 60.40 H new ATOM 0 HD2 LYS A 24 -12.234 -0.260 3.565 1.00 3.54 H new ATOM 0 HD3 LYS A 24 -13.370 -1.486 4.094 1.00 3.54 H new ATOM 0 HE2 LYS A 24 -12.374 0.674 5.978 1.00 15.43 H new ATOM 0 HE3 LYS A 24 -13.740 0.945 4.913 1.00 15.43 H new ATOM 0 HZ1 LYS A 24 -14.459 0.194 7.088 1.00 65.25 H new ATOM 0 HZ2 LYS A 24 -14.862 -0.964 5.913 1.00 65.25 H new ATOM 0 HZ3 LYS A 24 -13.539 -1.226 6.945 1.00 65.25 H new ATOM 372 N ASP A 25 -12.558 -4.492 2.218 1.00 44.04 N ATOM 373 CA ASP A 25 -12.687 -5.245 0.975 1.00 72.01 C ATOM 374 C ASP A 25 -11.328 -5.426 0.307 1.00 43.21 C ATOM 375 O ASP A 25 -10.395 -4.650 0.518 1.00 12.31 O ATOM 376 CB ASP A 25 -13.648 -4.534 0.020 1.00 42.22 C ATOM 377 CG ASP A 25 -15.101 -4.765 0.385 1.00 73.33 C ATOM 378 OD1 ASP A 25 -15.604 -5.883 0.142 1.00 3.12 O ATOM 379 OD2 ASP A 25 -15.736 -3.828 0.911 1.00 13.11 O ATOM 0 H ASP A 25 -13.049 -3.598 2.222 1.00 44.04 H new ATOM 0 HA ASP A 25 -13.088 -6.230 1.215 1.00 72.01 H new ATOM 0 HB2 ASP A 25 -13.440 -3.464 0.029 1.00 42.22 H new ATOM 0 HB3 ASP A 25 -13.471 -4.885 -0.997 1.00 42.22 H new ATOM 383 N PRO A 26 -11.210 -6.476 -0.519 1.00 22.53 N ATOM 384 CA PRO A 26 -9.968 -6.785 -1.234 1.00 63.05 C ATOM 385 C PRO A 26 -9.660 -5.767 -2.327 1.00 45.15 C ATOM 386 O PRO A 26 -10.567 -5.181 -2.917 1.00 20.00 O ATOM 387 CB PRO A 26 -10.244 -8.161 -1.848 1.00 44.15 C ATOM 388 CG PRO A 26 -11.727 -8.226 -1.978 1.00 25.43 C ATOM 389 CD PRO A 26 -12.279 -7.443 -0.818 1.00 61.20 C ATOM 0 HA PRO A 26 -9.102 -6.764 -0.573 1.00 63.05 H new ATOM 0 HB2 PRO A 26 -9.756 -8.267 -2.817 1.00 44.15 H new ATOM 0 HB3 PRO A 26 -9.867 -8.962 -1.212 1.00 44.15 H new ATOM 0 HG2 PRO A 26 -12.055 -7.801 -2.927 1.00 25.43 H new ATOM 0 HG3 PRO A 26 -12.076 -9.258 -1.954 1.00 25.43 H new ATOM 0 HD2 PRO A 26 -13.212 -6.943 -1.078 1.00 61.20 H new ATOM 0 HD3 PRO A 26 -12.490 -8.086 0.037 1.00 61.20 H new ATOM 394 N GLY A 27 -8.373 -5.560 -2.592 1.00 54.12 N ATOM 395 CA GLY A 27 -7.969 -4.612 -3.614 1.00 32.13 C ATOM 396 C GLY A 27 -7.783 -3.212 -3.064 1.00 61.34 C ATOM 397 O GLY A 27 -7.206 -2.350 -3.727 1.00 11.51 O ATOM 0 H GLY A 27 -7.603 -6.032 -2.117 1.00 54.12 H new ATOM 0 HA2 GLY A 27 -7.037 -4.947 -4.068 1.00 32.13 H new ATOM 0 HA3 GLY A 27 -8.720 -4.592 -4.404 1.00 32.13 H new ATOM 401 N ALA A 28 -8.275 -2.984 -1.851 1.00 20.32 N ATOM 402 CA ALA A 28 -8.159 -1.678 -1.212 1.00 31.23 C ATOM 403 C ALA A 28 -6.730 -1.420 -0.747 1.00 10.50 C ATOM 404 O ALA A 28 -6.001 -2.350 -0.401 1.00 74.24 O ATOM 405 CB ALA A 28 -9.125 -1.576 -0.042 1.00 3.52 C ATOM 0 H ALA A 28 -8.758 -3.686 -1.291 1.00 20.32 H new ATOM 0 HA ALA A 28 -8.416 -0.916 -1.948 1.00 31.23 H new ATOM 0 HB1 ALA A 28 -9.028 -0.596 0.426 1.00 3.52 H new ATOM 0 HB2 ALA A 28 -10.146 -1.707 -0.401 1.00 3.52 H new ATOM 0 HB3 ALA A 28 -8.895 -2.351 0.689 1.00 3.52 H new ATOM 411 N PHE A 29 -6.336 -0.151 -0.739 1.00 42.44 N ATOM 412 CA PHE A 29 -4.994 0.230 -0.316 1.00 23.32 C ATOM 413 C PHE A 29 -5.038 1.440 0.613 1.00 22.22 C ATOM 414 O PHE A 29 -6.060 2.119 0.718 1.00 14.44 O ATOM 415 CB PHE A 29 -4.122 0.541 -1.535 1.00 2.11 C ATOM 416 CG PHE A 29 -4.431 1.866 -2.170 1.00 62.02 C ATOM 417 CD1 PHE A 29 -5.671 2.104 -2.740 1.00 14.34 C ATOM 418 CD2 PHE A 29 -3.480 2.875 -2.198 1.00 52.10 C ATOM 419 CE1 PHE A 29 -5.958 3.322 -3.326 1.00 25.30 C ATOM 420 CE2 PHE A 29 -3.761 4.096 -2.782 1.00 33.21 C ATOM 421 CZ PHE A 29 -5.002 4.319 -3.347 1.00 42.43 C ATOM 0 H PHE A 29 -6.927 0.631 -1.021 1.00 42.44 H new ATOM 0 HA PHE A 29 -4.561 -0.608 0.229 1.00 23.32 H new ATOM 0 HB2 PHE A 29 -3.074 0.526 -1.235 1.00 2.11 H new ATOM 0 HB3 PHE A 29 -4.253 -0.247 -2.276 1.00 2.11 H new ATOM 0 HD1 PHE A 29 -6.422 1.328 -2.726 1.00 14.34 H new ATOM 0 HD2 PHE A 29 -2.508 2.705 -1.758 1.00 52.10 H new ATOM 0 HE1 PHE A 29 -6.929 3.494 -3.767 1.00 25.30 H new ATOM 0 HE2 PHE A 29 -3.012 4.874 -2.797 1.00 33.21 H new ATOM 0 HZ PHE A 29 -5.224 5.272 -3.805 1.00 42.43 H new ATOM 430 N LEU A 30 -3.923 1.703 1.286 1.00 34.54 N ATOM 431 CA LEU A 30 -3.833 2.829 2.208 1.00 50.05 C ATOM 432 C LEU A 30 -2.416 3.390 2.247 1.00 73.41 C ATOM 433 O LEU A 30 -1.441 2.647 2.130 1.00 4.14 O ATOM 434 CB LEU A 30 -4.263 2.401 3.612 1.00 63.01 C ATOM 435 CG LEU A 30 -4.019 3.418 4.728 1.00 31.44 C ATOM 436 CD1 LEU A 30 -5.241 3.527 5.627 1.00 34.33 C ATOM 437 CD2 LEU A 30 -2.790 3.033 5.540 1.00 54.04 C ATOM 0 H LEU A 30 -3.068 1.151 1.210 1.00 34.54 H new ATOM 0 HA LEU A 30 -4.504 3.611 1.852 1.00 50.05 H new ATOM 0 HB2 LEU A 30 -5.327 2.166 3.588 1.00 63.01 H new ATOM 0 HB3 LEU A 30 -3.738 1.480 3.866 1.00 63.01 H new ATOM 0 HG LEU A 30 -3.840 4.392 4.273 1.00 31.44 H new ATOM 0 HD11 LEU A 30 -5.049 4.255 6.415 1.00 34.33 H new ATOM 0 HD12 LEU A 30 -6.099 3.849 5.037 1.00 34.33 H new ATOM 0 HD13 LEU A 30 -5.452 2.555 6.074 1.00 34.33 H new ATOM 0 HD21 LEU A 30 -2.631 3.767 6.330 1.00 54.04 H new ATOM 0 HD22 LEU A 30 -2.941 2.049 5.984 1.00 54.04 H new ATOM 0 HD23 LEU A 30 -1.917 3.006 4.888 1.00 54.04 H new ATOM 448 N ILE A 31 -2.309 4.705 2.411 1.00 21.34 N ATOM 449 CA ILE A 31 -1.010 5.363 2.468 1.00 4.11 C ATOM 450 C ILE A 31 -0.751 5.949 3.852 1.00 12.15 C ATOM 451 O ILE A 31 -1.649 6.514 4.477 1.00 73.14 O ATOM 452 CB ILE A 31 -0.902 6.486 1.420 1.00 44.13 C ATOM 453 CG1 ILE A 31 -1.218 5.943 0.025 1.00 64.44 C ATOM 454 CG2 ILE A 31 0.487 7.107 1.449 1.00 5.45 C ATOM 455 CD1 ILE A 31 -1.347 7.021 -1.029 1.00 44.11 C ATOM 0 H ILE A 31 -3.106 5.335 2.507 1.00 21.34 H new ATOM 0 HA ILE A 31 -0.261 4.601 2.252 1.00 4.11 H new ATOM 0 HB ILE A 31 -1.630 7.260 1.663 1.00 44.13 H new ATOM 0 HG12 ILE A 31 -0.432 5.248 -0.272 1.00 64.44 H new ATOM 0 HG13 ILE A 31 -2.147 5.375 0.067 1.00 64.44 H new ATOM 0 HG21 ILE A 31 0.547 7.899 0.703 1.00 5.45 H new ATOM 0 HG22 ILE A 31 0.678 7.525 2.437 1.00 5.45 H new ATOM 0 HG23 ILE A 31 1.232 6.343 1.228 1.00 5.45 H new ATOM 0 HD11 ILE A 31 -1.571 6.563 -1.992 1.00 44.11 H new ATOM 0 HD12 ILE A 31 -2.152 7.703 -0.755 1.00 44.11 H new ATOM 0 HD13 ILE A 31 -0.411 7.575 -1.100 1.00 44.11 H new ATOM 466 N ARG A 32 0.483 5.811 4.326 1.00 41.43 N ATOM 467 CA ARG A 32 0.861 6.328 5.636 1.00 32.34 C ATOM 468 C ARG A 32 2.244 6.969 5.589 1.00 3.23 C ATOM 469 O ARG A 32 3.006 6.757 4.646 1.00 73.12 O ATOM 470 CB ARG A 32 0.843 5.204 6.675 1.00 13.01 C ATOM 471 CG ARG A 32 2.017 4.246 6.557 1.00 1.23 C ATOM 472 CD ARG A 32 1.555 2.797 6.553 1.00 23.14 C ATOM 473 NE ARG A 32 2.673 1.867 6.689 1.00 14.42 N ATOM 474 CZ ARG A 32 2.600 0.580 6.365 1.00 23.53 C ATOM 475 NH1 ARG A 32 1.471 0.075 5.891 1.00 31.41 N ATOM 476 NH2 ARG A 32 3.661 -0.203 6.518 1.00 74.23 N ATOM 0 H ARG A 32 1.238 5.346 3.822 1.00 41.43 H new ATOM 0 HA ARG A 32 0.136 7.090 5.922 1.00 32.34 H new ATOM 0 HB2 ARG A 32 0.842 5.643 7.673 1.00 13.01 H new ATOM 0 HB3 ARG A 32 -0.085 4.642 6.573 1.00 13.01 H new ATOM 0 HG2 ARG A 32 2.569 4.456 5.641 1.00 1.23 H new ATOM 0 HG3 ARG A 32 2.705 4.408 7.387 1.00 1.23 H new ATOM 0 HD2 ARG A 32 0.850 2.639 7.369 1.00 23.14 H new ATOM 0 HD3 ARG A 32 1.021 2.589 5.626 1.00 23.14 H new ATOM 0 HE ARG A 32 3.557 2.224 7.052 1.00 14.42 H new ATOM 0 HH11 ARG A 32 0.654 0.674 5.774 1.00 31.41 H new ATOM 0 HH12 ARG A 32 1.419 -0.913 5.643 1.00 31.41 H new ATOM 0 HH21 ARG A 32 4.531 0.183 6.884 1.00 74.23 H new ATOM 0 HH22 ARG A 32 3.606 -1.191 6.270 1.00 74.23 H new ATOM 487 N ASP A 33 2.562 7.753 6.614 1.00 52.11 N ATOM 488 CA ASP A 33 3.854 8.425 6.691 1.00 73.44 C ATOM 489 C ASP A 33 4.963 7.434 7.026 1.00 24.52 C ATOM 490 O ASP A 33 4.936 6.788 8.074 1.00 34.12 O ATOM 491 CB ASP A 33 3.812 9.538 7.739 1.00 31.13 C ATOM 492 CG ASP A 33 4.976 10.499 7.609 1.00 5.31 C ATOM 493 OD1 ASP A 33 5.599 10.536 6.527 1.00 35.23 O ATOM 494 OD2 ASP A 33 5.265 11.218 8.589 1.00 70.11 O ATOM 0 H ASP A 33 1.943 7.939 7.403 1.00 52.11 H new ATOM 0 HA ASP A 33 4.067 8.863 5.716 1.00 73.44 H new ATOM 0 HB2 ASP A 33 2.877 10.089 7.642 1.00 31.13 H new ATOM 0 HB3 ASP A 33 3.819 9.096 8.735 1.00 31.13 H new ATOM 498 N SER A 34 5.937 7.318 6.129 1.00 20.50 N ATOM 499 CA SER A 34 7.053 6.401 6.327 1.00 24.34 C ATOM 500 C SER A 34 8.222 7.107 7.009 1.00 20.44 C ATOM 501 O SER A 34 9.116 7.635 6.347 1.00 30.01 O ATOM 502 CB SER A 34 7.507 5.818 4.988 1.00 63.22 C ATOM 503 OG SER A 34 8.029 4.511 5.150 1.00 63.31 O ATOM 0 H SER A 34 5.976 7.848 5.258 1.00 20.50 H new ATOM 0 HA SER A 34 6.714 5.590 6.972 1.00 24.34 H new ATOM 0 HB2 SER A 34 6.666 5.793 4.295 1.00 63.22 H new ATOM 0 HB3 SER A 34 8.266 6.463 4.546 1.00 63.22 H new ATOM 0 HG SER A 34 8.310 4.161 4.279 1.00 63.31 H new ATOM 508 N HIS A 35 8.208 7.113 8.338 1.00 0.24 N ATOM 509 CA HIS A 35 9.265 7.753 9.112 1.00 64.55 C ATOM 510 C HIS A 35 10.553 6.935 9.053 1.00 43.33 C ATOM 511 O HIS A 35 11.618 7.407 9.452 1.00 35.31 O ATOM 512 CB HIS A 35 8.827 7.931 10.566 1.00 60.31 C ATOM 513 CG HIS A 35 8.969 9.336 11.066 1.00 1.13 C ATOM 514 ND1 HIS A 35 7.950 10.015 11.699 1.00 4.20 N ATOM 515 CD2 HIS A 35 10.020 10.188 11.026 1.00 74.33 C ATOM 516 CE1 HIS A 35 8.367 11.226 12.025 1.00 54.42 C ATOM 517 NE2 HIS A 35 9.620 11.356 11.628 1.00 61.14 N ATOM 0 H HIS A 35 7.476 6.681 8.902 1.00 0.24 H new ATOM 0 HA HIS A 35 9.457 8.733 8.676 1.00 64.55 H new ATOM 0 HB2 HIS A 35 7.786 7.623 10.664 1.00 60.31 H new ATOM 0 HB3 HIS A 35 9.417 7.267 11.198 1.00 60.31 H new ATOM 0 HD2 HIS A 35 10.992 9.987 10.600 1.00 74.33 H new ATOM 0 HE1 HIS A 35 7.783 11.981 12.530 1.00 54.42 H new ATOM 0 HE2 HIS A 35 10.197 12.188 11.749 1.00 61.14 H new ATOM 524 N SER A 36 10.446 5.708 8.554 1.00 71.44 N ATOM 525 CA SER A 36 11.601 4.824 8.446 1.00 1.04 C ATOM 526 C SER A 36 12.752 5.517 7.725 1.00 44.05 C ATOM 527 O SER A 36 13.886 5.523 8.202 1.00 21.55 O ATOM 528 CB SER A 36 11.220 3.541 7.706 1.00 1.24 C ATOM 529 OG SER A 36 12.308 2.633 7.665 1.00 5.44 O ATOM 0 H SER A 36 9.572 5.303 8.218 1.00 71.44 H new ATOM 0 HA SER A 36 11.928 4.571 9.454 1.00 1.04 H new ATOM 0 HB2 SER A 36 10.369 3.072 8.200 1.00 1.24 H new ATOM 0 HB3 SER A 36 10.906 3.783 6.691 1.00 1.24 H new ATOM 0 HG SER A 36 12.902 2.868 6.922 1.00 5.44 H new ATOM 534 N PHE A 37 12.451 6.104 6.571 1.00 44.34 N ATOM 535 CA PHE A 37 13.459 6.802 5.782 1.00 33.43 C ATOM 536 C PHE A 37 12.893 8.088 5.188 1.00 1.40 C ATOM 537 O PHE A 37 11.693 8.191 4.938 1.00 32.00 O ATOM 538 CB PHE A 37 13.977 5.896 4.662 1.00 32.14 C ATOM 539 CG PHE A 37 14.794 4.737 5.158 1.00 34.02 C ATOM 540 CD1 PHE A 37 16.154 4.877 5.384 1.00 2.11 C ATOM 541 CD2 PHE A 37 14.203 3.507 5.398 1.00 11.21 C ATOM 542 CE1 PHE A 37 16.909 3.814 5.841 1.00 33.23 C ATOM 543 CE2 PHE A 37 14.952 2.439 5.855 1.00 42.42 C ATOM 544 CZ PHE A 37 16.307 2.593 6.076 1.00 11.32 C ATOM 0 H PHE A 37 11.517 6.110 6.162 1.00 44.34 H new ATOM 0 HA PHE A 37 14.285 7.062 6.444 1.00 33.43 H new ATOM 0 HB2 PHE A 37 13.129 5.515 4.092 1.00 32.14 H new ATOM 0 HB3 PHE A 37 14.582 6.489 3.976 1.00 32.14 H new ATOM 0 HD1 PHE A 37 16.630 5.829 5.201 1.00 2.11 H new ATOM 0 HD2 PHE A 37 13.144 3.381 5.226 1.00 11.21 H new ATOM 0 HE1 PHE A 37 17.968 3.937 6.014 1.00 33.23 H new ATOM 0 HE2 PHE A 37 14.479 1.486 6.039 1.00 42.42 H new ATOM 0 HZ PHE A 37 16.895 1.760 6.432 1.00 11.32 H new ATOM 553 N GLN A 38 13.766 9.066 4.968 1.00 10.44 N ATOM 554 CA GLN A 38 13.353 10.346 4.407 1.00 53.15 C ATOM 555 C GLN A 38 12.800 10.168 2.996 1.00 43.15 C ATOM 556 O GLN A 38 13.262 9.314 2.241 1.00 52.42 O ATOM 557 CB GLN A 38 14.529 11.323 4.387 1.00 24.34 C ATOM 558 CG GLN A 38 15.185 11.512 5.745 1.00 44.52 C ATOM 559 CD GLN A 38 15.134 12.951 6.222 1.00 35.12 C ATOM 560 OE1 GLN A 38 15.955 13.778 5.825 1.00 32.43 O ATOM 561 NE2 GLN A 38 14.167 13.256 7.079 1.00 52.42 N ATOM 0 H GLN A 38 14.763 8.996 5.170 1.00 10.44 H new ATOM 0 HA GLN A 38 12.564 10.753 5.039 1.00 53.15 H new ATOM 0 HB2 GLN A 38 15.276 10.965 3.678 1.00 24.34 H new ATOM 0 HB3 GLN A 38 14.181 12.290 4.023 1.00 24.34 H new ATOM 0 HG2 GLN A 38 14.689 10.873 6.476 1.00 44.52 H new ATOM 0 HG3 GLN A 38 16.224 11.188 5.691 1.00 44.52 H new ATOM 0 HE21 GLN A 38 13.508 12.538 7.381 1.00 52.42 H new ATOM 0 HE22 GLN A 38 14.083 14.208 7.435 1.00 52.42 H new ATOM 568 N GLY A 39 11.808 10.982 2.646 1.00 45.42 N ATOM 569 CA GLY A 39 11.209 10.899 1.327 1.00 4.32 C ATOM 570 C GLY A 39 10.665 9.517 1.025 1.00 73.11 C ATOM 571 O GLY A 39 10.808 9.018 -0.091 1.00 15.23 O ATOM 0 H GLY A 39 11.409 11.698 3.253 1.00 45.42 H new ATOM 0 HA2 GLY A 39 10.403 11.628 1.251 1.00 4.32 H new ATOM 0 HA3 GLY A 39 11.952 11.166 0.576 1.00 4.32 H new ATOM 575 N ALA A 40 10.041 8.897 2.021 1.00 23.31 N ATOM 576 CA ALA A 40 9.473 7.565 1.855 1.00 20.41 C ATOM 577 C ALA A 40 8.019 7.528 2.311 1.00 75.43 C ATOM 578 O ALA A 40 7.632 8.231 3.244 1.00 53.22 O ATOM 579 CB ALA A 40 10.296 6.542 2.625 1.00 33.12 C ATOM 0 H ALA A 40 9.916 9.296 2.951 1.00 23.31 H new ATOM 0 HA ALA A 40 9.500 7.314 0.795 1.00 20.41 H new ATOM 0 HB1 ALA A 40 9.861 5.551 2.493 1.00 33.12 H new ATOM 0 HB2 ALA A 40 11.320 6.542 2.250 1.00 33.12 H new ATOM 0 HB3 ALA A 40 10.297 6.799 3.684 1.00 33.12 H new ATOM 585 N TYR A 41 7.217 6.703 1.645 1.00 4.41 N ATOM 586 CA TYR A 41 5.803 6.577 1.979 1.00 23.21 C ATOM 587 C TYR A 41 5.405 5.111 2.116 1.00 0.32 C ATOM 588 O TYR A 41 5.782 4.274 1.297 1.00 41.01 O ATOM 589 CB TYR A 41 4.942 7.253 0.911 1.00 41.52 C ATOM 590 CG TYR A 41 4.946 8.763 0.997 1.00 24.22 C ATOM 591 CD1 TYR A 41 5.896 9.515 0.316 1.00 4.41 C ATOM 592 CD2 TYR A 41 4.001 9.438 1.760 1.00 51.33 C ATOM 593 CE1 TYR A 41 5.904 10.894 0.392 1.00 1.23 C ATOM 594 CE2 TYR A 41 4.000 10.817 1.840 1.00 25.53 C ATOM 595 CZ TYR A 41 4.954 11.540 1.156 1.00 71.15 C ATOM 596 OH TYR A 41 4.957 12.914 1.234 1.00 45.23 O ATOM 0 H TYR A 41 7.522 6.112 0.871 1.00 4.41 H new ATOM 0 HA TYR A 41 5.637 7.071 2.936 1.00 23.21 H new ATOM 0 HB2 TYR A 41 5.298 6.953 -0.074 1.00 41.52 H new ATOM 0 HB3 TYR A 41 3.917 6.895 1.002 1.00 41.52 H new ATOM 0 HD1 TYR A 41 6.641 9.012 -0.283 1.00 4.41 H new ATOM 0 HD2 TYR A 41 3.254 8.875 2.300 1.00 51.33 H new ATOM 0 HE1 TYR A 41 6.649 11.463 -0.143 1.00 1.23 H new ATOM 0 HE2 TYR A 41 3.256 11.326 2.435 1.00 25.53 H new ATOM 0 HH TYR A 41 4.223 13.210 1.811 1.00 45.23 H new ATOM 605 N GLY A 42 4.637 4.808 3.159 1.00 73.41 N ATOM 606 CA GLY A 42 4.199 3.443 3.385 1.00 4.14 C ATOM 607 C GLY A 42 2.945 3.099 2.605 1.00 44.44 C ATOM 608 O GLY A 42 1.883 3.680 2.836 1.00 72.20 O ATOM 0 H GLY A 42 4.311 5.483 3.851 1.00 73.41 H new ATOM 0 HA2 GLY A 42 4.998 2.757 3.103 1.00 4.14 H new ATOM 0 HA3 GLY A 42 4.013 3.296 4.449 1.00 4.14 H new ATOM 612 N LEU A 43 3.066 2.155 1.679 1.00 64.42 N ATOM 613 CA LEU A 43 1.934 1.736 0.861 1.00 52.22 C ATOM 614 C LEU A 43 1.473 0.334 1.246 1.00 53.15 C ATOM 615 O LEU A 43 2.255 -0.615 1.222 1.00 42.20 O ATOM 616 CB LEU A 43 2.308 1.774 -0.622 1.00 30.10 C ATOM 617 CG LEU A 43 1.226 1.316 -1.600 1.00 33.15 C ATOM 618 CD1 LEU A 43 0.108 2.343 -1.680 1.00 65.34 C ATOM 619 CD2 LEU A 43 1.823 1.066 -2.977 1.00 23.24 C ATOM 0 H LEU A 43 3.937 1.665 1.476 1.00 64.42 H new ATOM 0 HA LEU A 43 1.113 2.430 1.039 1.00 52.22 H new ATOM 0 HB2 LEU A 43 2.592 2.795 -0.878 1.00 30.10 H new ATOM 0 HB3 LEU A 43 3.190 1.151 -0.770 1.00 30.10 H new ATOM 0 HG LEU A 43 0.805 0.380 -1.233 1.00 33.15 H new ATOM 0 HD11 LEU A 43 -0.652 1.999 -2.381 1.00 65.34 H new ATOM 0 HD12 LEU A 43 -0.339 2.472 -0.694 1.00 65.34 H new ATOM 0 HD13 LEU A 43 0.513 3.295 -2.022 1.00 65.34 H new ATOM 0 HD21 LEU A 43 1.038 0.741 -3.660 1.00 23.24 H new ATOM 0 HD22 LEU A 43 2.272 1.986 -3.352 1.00 23.24 H new ATOM 0 HD23 LEU A 43 2.587 0.292 -2.907 1.00 23.24 H new ATOM 630 N ALA A 44 0.197 0.212 1.597 1.00 14.03 N ATOM 631 CA ALA A 44 -0.370 -1.075 1.982 1.00 63.22 C ATOM 632 C ALA A 44 -1.489 -1.488 1.033 1.00 10.50 C ATOM 633 O ALA A 44 -2.310 -0.663 0.627 1.00 43.01 O ATOM 634 CB ALA A 44 -0.882 -1.019 3.413 1.00 2.32 C ATOM 0 H ALA A 44 -0.464 0.989 1.623 1.00 14.03 H new ATOM 0 HA ALA A 44 0.419 -1.825 1.919 1.00 63.22 H new ATOM 0 HB1 ALA A 44 -1.303 -1.987 3.687 1.00 2.32 H new ATOM 0 HB2 ALA A 44 -0.058 -0.778 4.085 1.00 2.32 H new ATOM 0 HB3 ALA A 44 -1.653 -0.252 3.494 1.00 2.32 H new ATOM 640 N LEU A 45 -1.519 -2.768 0.682 1.00 30.32 N ATOM 641 CA LEU A 45 -2.539 -3.291 -0.220 1.00 72.30 C ATOM 642 C LEU A 45 -3.096 -4.615 0.295 1.00 61.14 C ATOM 643 O LEU A 45 -2.360 -5.445 0.829 1.00 33.22 O ATOM 644 CB LEU A 45 -1.958 -3.482 -1.623 1.00 5.30 C ATOM 645 CG LEU A 45 -2.937 -3.959 -2.696 1.00 52.31 C ATOM 646 CD1 LEU A 45 -4.186 -3.091 -2.704 1.00 3.33 C ATOM 647 CD2 LEU A 45 -2.272 -3.953 -4.065 1.00 54.34 C ATOM 0 H LEU A 45 -0.848 -3.464 1.008 1.00 30.32 H new ATOM 0 HA LEU A 45 -3.353 -2.568 -0.265 1.00 72.30 H new ATOM 0 HB2 LEU A 45 -1.527 -2.535 -1.948 1.00 5.30 H new ATOM 0 HB3 LEU A 45 -1.140 -4.200 -1.561 1.00 5.30 H new ATOM 0 HG LEU A 45 -3.232 -4.982 -2.462 1.00 52.31 H new ATOM 0 HD11 LEU A 45 -4.871 -3.446 -3.474 1.00 3.33 H new ATOM 0 HD12 LEU A 45 -4.674 -3.147 -1.731 1.00 3.33 H new ATOM 0 HD13 LEU A 45 -3.910 -2.058 -2.913 1.00 3.33 H new ATOM 0 HD21 LEU A 45 -2.983 -4.295 -4.817 1.00 54.34 H new ATOM 0 HD22 LEU A 45 -1.947 -2.941 -4.307 1.00 54.34 H new ATOM 0 HD23 LEU A 45 -1.409 -4.618 -4.053 1.00 54.34 H new ATOM 658 N LYS A 46 -4.401 -4.805 0.131 1.00 23.41 N ATOM 659 CA LYS A 46 -5.057 -6.028 0.576 1.00 12.21 C ATOM 660 C LYS A 46 -5.282 -6.982 -0.593 1.00 24.05 C ATOM 661 O LYS A 46 -5.785 -6.584 -1.643 1.00 32.51 O ATOM 662 CB LYS A 46 -6.395 -5.699 1.244 1.00 71.12 C ATOM 663 CG LYS A 46 -7.192 -6.928 1.647 1.00 1.13 C ATOM 664 CD LYS A 46 -6.508 -7.693 2.767 1.00 5.20 C ATOM 665 CE LYS A 46 -7.126 -9.069 2.962 1.00 53.34 C ATOM 666 NZ LYS A 46 -8.602 -8.992 3.148 1.00 54.22 N ATOM 0 H LYS A 46 -5.025 -4.127 -0.307 1.00 23.41 H new ATOM 0 HA LYS A 46 -4.406 -6.517 1.301 1.00 12.21 H new ATOM 0 HB2 LYS A 46 -6.210 -5.090 2.129 1.00 71.12 H new ATOM 0 HB3 LYS A 46 -6.994 -5.096 0.562 1.00 71.12 H new ATOM 0 HG2 LYS A 46 -8.190 -6.627 1.967 1.00 1.13 H new ATOM 0 HG3 LYS A 46 -7.318 -7.581 0.783 1.00 1.13 H new ATOM 0 HD2 LYS A 46 -5.447 -7.798 2.541 1.00 5.20 H new ATOM 0 HD3 LYS A 46 -6.582 -7.125 3.695 1.00 5.20 H new ATOM 0 HE2 LYS A 46 -6.901 -9.694 2.098 1.00 53.34 H new ATOM 0 HE3 LYS A 46 -6.675 -9.550 3.830 1.00 53.34 H new ATOM 0 HZ1 LYS A 46 -8.966 -9.925 3.428 1.00 54.22 H new ATOM 0 HZ2 LYS A 46 -8.823 -8.297 3.890 1.00 54.22 H new ATOM 0 HZ3 LYS A 46 -9.050 -8.700 2.256 1.00 54.22 H new ATOM 676 N VAL A 47 -4.906 -8.243 -0.402 1.00 14.34 N ATOM 677 CA VAL A 47 -5.069 -9.254 -1.440 1.00 54.21 C ATOM 678 C VAL A 47 -6.384 -10.008 -1.272 1.00 42.34 C ATOM 679 O VAL A 47 -6.831 -10.256 -0.152 1.00 61.31 O ATOM 680 CB VAL A 47 -3.907 -10.264 -1.426 1.00 73.51 C ATOM 681 CG1 VAL A 47 -2.575 -9.548 -1.595 1.00 11.40 C ATOM 682 CG2 VAL A 47 -3.924 -11.080 -0.142 1.00 72.33 C ATOM 0 H VAL A 47 -4.487 -8.588 0.461 1.00 14.34 H new ATOM 0 HA VAL A 47 -5.074 -8.729 -2.395 1.00 54.21 H new ATOM 0 HB VAL A 47 -4.034 -10.948 -2.265 1.00 73.51 H new ATOM 0 HG11 VAL A 47 -1.765 -10.278 -1.583 1.00 11.40 H new ATOM 0 HG12 VAL A 47 -2.567 -9.013 -2.545 1.00 11.40 H new ATOM 0 HG13 VAL A 47 -2.437 -8.839 -0.779 1.00 11.40 H new ATOM 0 HG21 VAL A 47 -3.096 -11.788 -0.150 1.00 72.33 H new ATOM 0 HG22 VAL A 47 -3.823 -10.413 0.714 1.00 72.33 H new ATOM 0 HG23 VAL A 47 -4.866 -11.624 -0.069 1.00 72.33 H new ATOM 692 N ALA A 48 -7.000 -10.368 -2.393 1.00 20.32 N ATOM 693 CA ALA A 48 -8.263 -11.096 -2.370 1.00 51.11 C ATOM 694 C ALA A 48 -8.050 -12.553 -1.974 1.00 50.20 C ATOM 695 O ALA A 48 -8.970 -13.218 -1.497 1.00 35.44 O ATOM 696 CB ALA A 48 -8.945 -11.011 -3.727 1.00 50.23 C ATOM 0 H ALA A 48 -6.645 -10.168 -3.328 1.00 20.32 H new ATOM 0 HA ALA A 48 -8.907 -10.634 -1.622 1.00 51.11 H new ATOM 0 HB1 ALA A 48 -9.887 -11.559 -3.696 1.00 50.23 H new ATOM 0 HB2 ALA A 48 -9.140 -9.967 -3.971 1.00 50.23 H new ATOM 0 HB3 ALA A 48 -8.297 -11.446 -4.488 1.00 50.23 H new ATOM 909 N LEU A 65 -2.053 -11.789 4.048 1.00 43.34 N ATOM 910 CA LEU A 65 -3.196 -11.236 3.328 1.00 11.13 C ATOM 911 C LEU A 65 -2.980 -9.758 3.017 1.00 55.10 C ATOM 912 O LEU A 65 -3.542 -9.227 2.058 1.00 3.13 O ATOM 913 CB LEU A 65 -4.475 -11.415 4.147 1.00 60.20 C ATOM 914 CG LEU A 65 -4.680 -12.793 4.779 1.00 43.13 C ATOM 915 CD1 LEU A 65 -5.705 -12.719 5.900 1.00 31.02 C ATOM 916 CD2 LEU A 65 -5.111 -13.804 3.726 1.00 23.42 C ATOM 0 HA LEU A 65 -3.297 -11.776 2.386 1.00 11.13 H new ATOM 0 HB2 LEU A 65 -4.482 -10.669 4.941 1.00 60.20 H new ATOM 0 HB3 LEU A 65 -5.328 -11.202 3.503 1.00 60.20 H new ATOM 0 HG LEU A 65 -3.731 -13.122 5.203 1.00 43.13 H new ATOM 0 HD11 LEU A 65 -5.838 -13.708 6.338 1.00 31.02 H new ATOM 0 HD12 LEU A 65 -5.356 -12.027 6.667 1.00 31.02 H new ATOM 0 HD13 LEU A 65 -6.657 -12.368 5.500 1.00 31.02 H new ATOM 0 HD21 LEU A 65 -5.252 -14.778 4.193 1.00 23.42 H new ATOM 0 HD22 LEU A 65 -6.048 -13.480 3.272 1.00 23.42 H new ATOM 0 HD23 LEU A 65 -4.342 -13.878 2.957 1.00 23.42 H new ATOM 927 N VAL A 66 -2.162 -9.101 3.831 1.00 4.42 N ATOM 928 CA VAL A 66 -1.870 -7.685 3.642 1.00 71.22 C ATOM 929 C VAL A 66 -0.389 -7.463 3.355 1.00 25.51 C ATOM 930 O VAL A 66 0.473 -7.868 4.137 1.00 73.25 O ATOM 931 CB VAL A 66 -2.271 -6.858 4.877 1.00 4.35 C ATOM 932 CG1 VAL A 66 -1.926 -5.391 4.674 1.00 61.01 C ATOM 933 CG2 VAL A 66 -3.753 -7.029 5.174 1.00 54.41 C ATOM 0 H VAL A 66 -1.689 -9.526 4.628 1.00 4.42 H new ATOM 0 HA VAL A 66 -2.458 -7.353 2.786 1.00 71.22 H new ATOM 0 HB VAL A 66 -1.707 -7.223 5.735 1.00 4.35 H new ATOM 0 HG11 VAL A 66 -2.217 -4.823 5.558 1.00 61.01 H new ATOM 0 HG12 VAL A 66 -0.853 -5.288 4.514 1.00 61.01 H new ATOM 0 HG13 VAL A 66 -2.461 -5.008 3.805 1.00 61.01 H new ATOM 0 HG21 VAL A 66 -4.019 -6.438 6.050 1.00 54.41 H new ATOM 0 HG22 VAL A 66 -4.337 -6.692 4.318 1.00 54.41 H new ATOM 0 HG23 VAL A 66 -3.966 -8.080 5.368 1.00 54.41 H new ATOM 943 N ARG A 67 -0.100 -6.818 2.230 1.00 72.02 N ATOM 944 CA ARG A 67 1.278 -6.543 1.838 1.00 5.31 C ATOM 945 C ARG A 67 1.580 -5.050 1.927 1.00 2.15 C ATOM 946 O ARG A 67 0.990 -4.243 1.208 1.00 25.11 O ATOM 947 CB ARG A 67 1.537 -7.043 0.416 1.00 13.55 C ATOM 948 CG ARG A 67 1.849 -8.528 0.340 1.00 31.15 C ATOM 949 CD ARG A 67 3.315 -8.804 0.634 1.00 25.00 C ATOM 950 NE ARG A 67 3.936 -9.627 -0.401 1.00 70.24 N ATOM 951 CZ ARG A 67 3.761 -10.940 -0.499 1.00 72.51 C ATOM 952 NH1 ARG A 67 2.989 -11.576 0.371 1.00 72.44 N ATOM 953 NH2 ARG A 67 4.360 -11.620 -1.469 1.00 11.52 N ATOM 0 H ARG A 67 -0.801 -6.476 1.573 1.00 72.02 H new ATOM 0 HA ARG A 67 1.937 -7.072 2.526 1.00 5.31 H new ATOM 0 HB2 ARG A 67 0.662 -6.832 -0.199 1.00 13.55 H new ATOM 0 HB3 ARG A 67 2.369 -6.483 -0.011 1.00 13.55 H new ATOM 0 HG2 ARG A 67 1.226 -9.069 1.052 1.00 31.15 H new ATOM 0 HG3 ARG A 67 1.599 -8.903 -0.652 1.00 31.15 H new ATOM 0 HD2 ARG A 67 3.852 -7.859 0.716 1.00 25.00 H new ATOM 0 HD3 ARG A 67 3.403 -9.306 1.598 1.00 25.00 H new ATOM 0 HE ARG A 67 4.537 -9.168 -1.086 1.00 70.24 H new ATOM 0 HH11 ARG A 67 2.528 -11.057 1.118 1.00 72.44 H new ATOM 0 HH12 ARG A 67 2.856 -12.584 0.293 1.00 72.44 H new ATOM 0 HH21 ARG A 67 4.955 -11.134 -2.140 1.00 11.52 H new ATOM 0 HH22 ARG A 67 4.225 -12.628 -1.543 1.00 11.52 H new ATOM 964 N HIS A 68 2.503 -4.690 2.814 1.00 53.51 N ATOM 965 CA HIS A 68 2.884 -3.294 2.997 1.00 50.02 C ATOM 966 C HIS A 68 4.372 -3.098 2.727 1.00 43.25 C ATOM 967 O HIS A 68 5.216 -3.763 3.327 1.00 34.14 O ATOM 968 CB HIS A 68 2.546 -2.833 4.415 1.00 53.43 C ATOM 969 CG HIS A 68 3.114 -3.715 5.484 1.00 53.21 C ATOM 970 ND1 HIS A 68 4.322 -3.699 6.094 1.00 31.54 N flip ATOM 971 CD2 HIS A 68 2.416 -4.763 6.044 1.00 31.14 C flip ATOM 972 CE1 HIS A 68 4.332 -4.729 7.002 1.00 1.20 C flip ATOM 973 NE2 HIS A 68 3.170 -5.355 6.953 1.00 2.14 N flip ATOM 0 H HIS A 68 3.000 -5.345 3.417 1.00 53.51 H new ATOM 0 HA HIS A 68 2.321 -2.692 2.284 1.00 50.02 H new ATOM 0 HB2 HIS A 68 2.919 -1.819 4.557 1.00 53.43 H new ATOM 0 HB3 HIS A 68 1.462 -2.793 4.526 1.00 53.43 H new ATOM 0 HD2 HIS A 68 1.410 -5.055 5.781 1.00 31.14 H new ATOM 0 HE1 HIS A 68 5.156 -4.986 7.651 1.00 1.20 H new ATOM 0 HE2 HIS A 68 2.901 -6.159 7.520 1.00 2.14 H new ATOM 980 N PHE A 69 4.688 -2.179 1.821 1.00 60.21 N ATOM 981 CA PHE A 69 6.075 -1.896 1.470 1.00 72.03 C ATOM 982 C PHE A 69 6.347 -0.395 1.495 1.00 44.40 C ATOM 983 O PHE A 69 5.431 0.417 1.351 1.00 44.22 O ATOM 984 CB PHE A 69 6.397 -2.460 0.084 1.00 24.30 C ATOM 985 CG PHE A 69 6.370 -3.960 0.027 1.00 22.34 C ATOM 986 CD1 PHE A 69 7.364 -4.709 0.638 1.00 43.14 C ATOM 987 CD2 PHE A 69 5.351 -4.623 -0.638 1.00 0.42 C ATOM 988 CE1 PHE A 69 7.341 -6.090 0.586 1.00 64.55 C ATOM 989 CE2 PHE A 69 5.323 -6.003 -0.692 1.00 75.31 C ATOM 990 CZ PHE A 69 6.319 -6.737 -0.080 1.00 10.54 C ATOM 0 H PHE A 69 4.002 -1.617 1.316 1.00 60.21 H new ATOM 0 HA PHE A 69 6.716 -2.376 2.209 1.00 72.03 H new ATOM 0 HB2 PHE A 69 5.681 -2.064 -0.636 1.00 24.30 H new ATOM 0 HB3 PHE A 69 7.383 -2.110 -0.222 1.00 24.30 H new ATOM 0 HD1 PHE A 69 8.165 -4.208 1.160 1.00 43.14 H new ATOM 0 HD2 PHE A 69 4.570 -4.054 -1.120 1.00 0.42 H new ATOM 0 HE1 PHE A 69 8.121 -6.662 1.066 1.00 64.55 H new ATOM 0 HE2 PHE A 69 4.522 -6.507 -1.213 1.00 75.31 H new ATOM 0 HZ PHE A 69 6.299 -7.816 -0.122 1.00 10.54 H new ATOM 999 N LEU A 70 7.611 -0.032 1.681 1.00 4.43 N ATOM 1000 CA LEU A 70 8.006 1.372 1.728 1.00 1.42 C ATOM 1001 C LEU A 70 8.558 1.827 0.381 1.00 52.53 C ATOM 1002 O LEU A 70 9.520 1.257 -0.131 1.00 25.44 O ATOM 1003 CB LEU A 70 9.053 1.592 2.822 1.00 53.05 C ATOM 1004 CG LEU A 70 10.203 0.585 2.862 1.00 61.13 C ATOM 1005 CD1 LEU A 70 11.543 1.305 2.854 1.00 41.10 C ATOM 1006 CD2 LEU A 70 10.084 -0.311 4.085 1.00 22.05 C ATOM 0 H LEU A 70 8.381 -0.690 1.802 1.00 4.43 H new ATOM 0 HA LEU A 70 7.121 1.966 1.957 1.00 1.42 H new ATOM 0 HB2 LEU A 70 9.474 2.590 2.699 1.00 53.05 H new ATOM 0 HB3 LEU A 70 8.549 1.576 3.788 1.00 53.05 H new ATOM 0 HG LEU A 70 10.145 -0.041 1.971 1.00 61.13 H new ATOM 0 HD11 LEU A 70 12.350 0.573 2.883 1.00 41.10 H new ATOM 0 HD12 LEU A 70 11.629 1.904 1.947 1.00 41.10 H new ATOM 0 HD13 LEU A 70 11.612 1.955 3.726 1.00 41.10 H new ATOM 0 HD21 LEU A 70 10.911 -1.021 4.097 1.00 22.05 H new ATOM 0 HD22 LEU A 70 10.116 0.299 4.988 1.00 22.05 H new ATOM 0 HD23 LEU A 70 9.140 -0.854 4.048 1.00 22.05 H new ATOM 1017 N ILE A 71 7.942 2.859 -0.187 1.00 14.34 N ATOM 1018 CA ILE A 71 8.373 3.393 -1.473 1.00 13.42 C ATOM 1019 C ILE A 71 9.235 4.637 -1.289 1.00 53.14 C ATOM 1020 O ILE A 71 8.909 5.518 -0.494 1.00 2.20 O ATOM 1021 CB ILE A 71 7.171 3.742 -2.370 1.00 30.15 C ATOM 1022 CG1 ILE A 71 6.157 2.595 -2.369 1.00 63.23 C ATOM 1023 CG2 ILE A 71 7.636 4.043 -3.786 1.00 65.22 C ATOM 1024 CD1 ILE A 71 4.927 2.876 -3.203 1.00 45.35 C ATOM 0 H ILE A 71 7.143 3.342 0.224 1.00 14.34 H new ATOM 0 HA ILE A 71 8.962 2.614 -1.957 1.00 13.42 H new ATOM 0 HB ILE A 71 6.685 4.633 -1.971 1.00 30.15 H new ATOM 0 HG12 ILE A 71 6.641 1.693 -2.742 1.00 63.23 H new ATOM 0 HG13 ILE A 71 5.852 2.392 -1.343 1.00 63.23 H new ATOM 0 HG21 ILE A 71 6.775 4.288 -4.408 1.00 65.22 H new ATOM 0 HG22 ILE A 71 8.325 4.888 -3.771 1.00 65.22 H new ATOM 0 HG23 ILE A 71 8.143 3.169 -4.196 1.00 65.22 H new ATOM 0 HD11 ILE A 71 4.253 2.021 -3.156 1.00 45.35 H new ATOM 0 HD12 ILE A 71 4.420 3.760 -2.817 1.00 45.35 H new ATOM 0 HD13 ILE A 71 5.221 3.050 -4.238 1.00 45.35 H new ATOM 1035 N GLU A 72 10.335 4.704 -2.033 1.00 54.53 N ATOM 1036 CA GLU A 72 11.243 5.842 -1.954 1.00 2.55 C ATOM 1037 C GLU A 72 11.267 6.612 -3.271 1.00 2.43 C ATOM 1038 O GLU A 72 11.393 6.024 -4.345 1.00 53.41 O ATOM 1039 CB GLU A 72 12.655 5.372 -1.598 1.00 53.51 C ATOM 1040 CG GLU A 72 13.162 5.914 -0.272 1.00 54.52 C ATOM 1041 CD GLU A 72 14.650 5.702 -0.086 1.00 24.32 C ATOM 1042 OE1 GLU A 72 15.095 4.536 -0.145 1.00 63.43 O ATOM 1043 OE2 GLU A 72 15.372 6.700 0.120 1.00 31.43 O ATOM 0 H GLU A 72 10.619 3.984 -2.697 1.00 54.53 H new ATOM 0 HA GLU A 72 10.882 6.509 -1.171 1.00 2.55 H new ATOM 0 HB2 GLU A 72 12.668 4.283 -1.564 1.00 53.51 H new ATOM 0 HB3 GLU A 72 13.340 5.675 -2.390 1.00 53.51 H new ATOM 0 HG2 GLU A 72 12.940 6.979 -0.211 1.00 54.52 H new ATOM 0 HG3 GLU A 72 12.625 5.429 0.543 1.00 54.52 H new ATOM 1048 N THR A 73 11.144 7.933 -3.180 1.00 0.11 N ATOM 1049 CA THR A 73 11.149 8.785 -4.362 1.00 23.33 C ATOM 1050 C THR A 73 12.319 9.762 -4.330 1.00 41.43 C ATOM 1051 O THR A 73 12.471 10.532 -3.383 1.00 71.51 O ATOM 1052 CB THR A 73 9.835 9.578 -4.490 1.00 23.10 C ATOM 1053 OG1 THR A 73 9.914 10.481 -5.598 1.00 60.54 O ATOM 1054 CG2 THR A 73 9.547 10.355 -3.214 1.00 62.44 C ATOM 0 H THR A 73 11.040 8.436 -2.299 1.00 0.11 H new ATOM 0 HA THR A 73 11.252 8.127 -5.225 1.00 23.33 H new ATOM 0 HB THR A 73 9.023 8.870 -4.657 1.00 23.10 H new ATOM 0 HG1 THR A 73 9.074 10.980 -5.674 1.00 60.54 H new ATOM 0 HG21 THR A 73 8.614 10.908 -3.327 1.00 62.44 H new ATOM 0 HG22 THR A 73 9.459 9.661 -2.378 1.00 62.44 H new ATOM 0 HG23 THR A 73 10.361 11.053 -3.022 1.00 62.44 H new ATOM 1062 N GLY A 74 13.144 9.726 -5.373 1.00 55.54 N ATOM 1063 CA GLY A 74 14.289 10.615 -5.444 1.00 34.42 C ATOM 1064 C GLY A 74 14.455 11.237 -6.816 1.00 0.31 C ATOM 1065 O GLY A 74 13.557 11.188 -7.657 1.00 31.31 O ATOM 0 H GLY A 74 13.040 9.097 -6.169 1.00 55.54 H new ATOM 0 HA2 GLY A 74 14.178 11.405 -4.701 1.00 34.42 H new ATOM 0 HA3 GLY A 74 15.192 10.061 -5.188 1.00 34.42 H new ATOM 1069 N PRO A 75 15.627 11.842 -7.057 1.00 62.53 N ATOM 1070 CA PRO A 75 15.936 12.491 -8.335 1.00 34.42 C ATOM 1071 C PRO A 75 16.109 11.484 -9.468 1.00 64.54 C ATOM 1072 O PRO A 75 16.242 11.862 -10.633 1.00 31.41 O ATOM 1073 CB PRO A 75 17.255 13.215 -8.057 1.00 40.54 C ATOM 1074 CG PRO A 75 17.880 12.450 -6.943 1.00 12.33 C ATOM 1075 CD PRO A 75 16.743 11.940 -6.101 1.00 62.02 C ATOM 0 HA PRO A 75 15.133 13.152 -8.661 1.00 34.42 H new ATOM 0 HB2 PRO A 75 17.895 13.224 -8.939 1.00 40.54 H new ATOM 0 HB3 PRO A 75 17.084 14.254 -7.777 1.00 40.54 H new ATOM 0 HG2 PRO A 75 18.482 11.626 -7.325 1.00 12.33 H new ATOM 0 HG3 PRO A 75 18.544 13.086 -6.358 1.00 12.33 H new ATOM 0 HD2 PRO A 75 16.976 10.973 -5.655 1.00 62.02 H new ATOM 0 HD3 PRO A 75 16.512 12.622 -5.282 1.00 62.02 H new ATOM 1080 N LYS A 76 16.109 10.202 -9.120 1.00 44.43 N ATOM 1081 CA LYS A 76 16.265 9.140 -10.107 1.00 71.31 C ATOM 1082 C LYS A 76 14.945 8.409 -10.333 1.00 32.13 C ATOM 1083 O LYS A 76 14.877 7.457 -11.110 1.00 44.24 O ATOM 1084 CB LYS A 76 17.339 8.148 -9.654 1.00 63.05 C ATOM 1085 CG LYS A 76 17.147 7.653 -8.232 1.00 21.24 C ATOM 1086 CD LYS A 76 18.090 6.505 -7.909 1.00 35.21 C ATOM 1087 CE LYS A 76 19.451 7.011 -7.459 1.00 64.52 C ATOM 1088 NZ LYS A 76 20.356 5.895 -7.068 1.00 5.42 N ATOM 0 H LYS A 76 16.003 9.873 -8.160 1.00 44.43 H new ATOM 0 HA LYS A 76 16.574 9.595 -11.048 1.00 71.31 H new ATOM 0 HB2 LYS A 76 17.341 7.293 -10.330 1.00 63.05 H new ATOM 0 HB3 LYS A 76 18.317 8.622 -9.736 1.00 63.05 H new ATOM 0 HG2 LYS A 76 17.318 8.473 -7.534 1.00 21.24 H new ATOM 0 HG3 LYS A 76 16.116 7.328 -8.095 1.00 21.24 H new ATOM 0 HD2 LYS A 76 17.654 5.884 -7.126 1.00 35.21 H new ATOM 0 HD3 LYS A 76 18.209 5.872 -8.788 1.00 35.21 H new ATOM 0 HE2 LYS A 76 19.909 7.585 -8.264 1.00 64.52 H new ATOM 0 HE3 LYS A 76 19.325 7.689 -6.615 1.00 64.52 H new ATOM 0 HZ1 LYS A 76 21.274 6.281 -6.767 1.00 5.42 H new ATOM 0 HZ2 LYS A 76 19.931 5.362 -6.283 1.00 5.42 H new ATOM 0 HZ3 LYS A 76 20.497 5.261 -7.880 1.00 5.42 H new ATOM 1098 N GLY A 77 13.899 8.860 -9.649 1.00 41.44 N ATOM 1099 CA GLY A 77 12.595 8.238 -9.790 1.00 31.22 C ATOM 1100 C GLY A 77 12.098 7.634 -8.492 1.00 12.55 C ATOM 1101 O GLY A 77 12.786 7.681 -7.472 1.00 72.52 O ATOM 0 H GLY A 77 13.931 9.646 -8.999 1.00 41.44 H new ATOM 0 HA2 GLY A 77 11.878 8.980 -10.140 1.00 31.22 H new ATOM 0 HA3 GLY A 77 12.647 7.461 -10.552 1.00 31.22 H new ATOM 1105 N VAL A 78 10.897 7.065 -8.528 1.00 51.10 N ATOM 1106 CA VAL A 78 10.307 6.449 -7.345 1.00 1.10 C ATOM 1107 C VAL A 78 10.160 4.942 -7.526 1.00 0.43 C ATOM 1108 O VAL A 78 9.587 4.477 -8.512 1.00 71.42 O ATOM 1109 CB VAL A 78 8.927 7.054 -7.026 1.00 65.21 C ATOM 1110 CG1 VAL A 78 7.977 6.865 -8.198 1.00 74.13 C ATOM 1111 CG2 VAL A 78 8.354 6.435 -5.760 1.00 24.30 C ATOM 0 H VAL A 78 10.314 7.018 -9.363 1.00 51.10 H new ATOM 0 HA VAL A 78 10.983 6.648 -6.514 1.00 1.10 H new ATOM 0 HB VAL A 78 9.049 8.124 -6.857 1.00 65.21 H new ATOM 0 HG11 VAL A 78 7.007 7.299 -7.954 1.00 74.13 H new ATOM 0 HG12 VAL A 78 8.384 7.360 -9.080 1.00 74.13 H new ATOM 0 HG13 VAL A 78 7.858 5.801 -8.402 1.00 74.13 H new ATOM 0 HG21 VAL A 78 7.379 6.874 -5.550 1.00 24.30 H new ATOM 0 HG22 VAL A 78 8.246 5.359 -5.898 1.00 24.30 H new ATOM 0 HG23 VAL A 78 9.027 6.628 -4.924 1.00 24.30 H new ATOM 1121 N LYS A 79 10.679 4.183 -6.567 1.00 41.32 N ATOM 1122 CA LYS A 79 10.604 2.728 -6.618 1.00 4.24 C ATOM 1123 C LYS A 79 10.052 2.165 -5.313 1.00 3.53 C ATOM 1124 O LYS A 79 10.271 2.731 -4.240 1.00 53.32 O ATOM 1125 CB LYS A 79 11.987 2.135 -6.896 1.00 21.13 C ATOM 1126 CG LYS A 79 12.921 2.182 -5.699 1.00 35.14 C ATOM 1127 CD LYS A 79 14.372 2.009 -6.116 1.00 53.40 C ATOM 1128 CE LYS A 79 15.290 1.903 -4.908 1.00 62.13 C ATOM 1129 NZ LYS A 79 16.161 3.103 -4.767 1.00 21.13 N ATOM 0 H LYS A 79 11.156 4.552 -5.745 1.00 41.32 H new ATOM 0 HA LYS A 79 9.927 2.453 -7.427 1.00 4.24 H new ATOM 0 HB2 LYS A 79 11.871 1.099 -7.216 1.00 21.13 H new ATOM 0 HB3 LYS A 79 12.445 2.675 -7.725 1.00 21.13 H new ATOM 0 HG2 LYS A 79 12.802 3.133 -5.180 1.00 35.14 H new ATOM 0 HG3 LYS A 79 12.649 1.398 -4.993 1.00 35.14 H new ATOM 0 HD2 LYS A 79 14.471 1.113 -6.729 1.00 53.40 H new ATOM 0 HD3 LYS A 79 14.677 2.854 -6.733 1.00 53.40 H new ATOM 0 HE2 LYS A 79 14.691 1.781 -4.006 1.00 62.13 H new ATOM 0 HE3 LYS A 79 15.911 1.012 -5.001 1.00 62.13 H new ATOM 0 HZ1 LYS A 79 16.772 2.993 -3.932 1.00 21.13 H new ATOM 0 HZ2 LYS A 79 16.751 3.205 -5.617 1.00 21.13 H new ATOM 0 HZ3 LYS A 79 15.569 3.950 -4.653 1.00 21.13 H new ATOM 1139 N ILE A 80 9.338 1.049 -5.409 1.00 42.53 N ATOM 1140 CA ILE A 80 8.757 0.411 -4.234 1.00 33.13 C ATOM 1141 C ILE A 80 9.691 -0.655 -3.670 1.00 4.11 C ATOM 1142 O ILE A 80 10.024 -1.628 -4.348 1.00 43.22 O ATOM 1143 CB ILE A 80 7.397 -0.236 -4.560 1.00 45.14 C ATOM 1144 CG1 ILE A 80 6.457 0.794 -5.189 1.00 54.21 C ATOM 1145 CG2 ILE A 80 6.778 -0.828 -3.302 1.00 50.44 C ATOM 1146 CD1 ILE A 80 6.581 0.885 -6.694 1.00 61.43 C ATOM 0 H ILE A 80 9.148 0.568 -6.288 1.00 42.53 H new ATOM 0 HA ILE A 80 8.610 1.194 -3.490 1.00 33.13 H new ATOM 0 HB ILE A 80 7.556 -1.041 -5.277 1.00 45.14 H new ATOM 0 HG12 ILE A 80 5.429 0.540 -4.932 1.00 54.21 H new ATOM 0 HG13 ILE A 80 6.662 1.773 -4.756 1.00 54.21 H new ATOM 0 HG21 ILE A 80 5.818 -1.281 -3.548 1.00 50.44 H new ATOM 0 HG22 ILE A 80 7.444 -1.587 -2.892 1.00 50.44 H new ATOM 0 HG23 ILE A 80 6.629 -0.040 -2.564 1.00 50.44 H new ATOM 0 HD11 ILE A 80 5.886 1.634 -7.072 1.00 61.43 H new ATOM 0 HD12 ILE A 80 7.600 1.169 -6.959 1.00 61.43 H new ATOM 0 HD13 ILE A 80 6.347 -0.083 -7.138 1.00 61.43 H new ATOM 1203 N SER A 85 11.737 -5.689 -9.209 1.00 4.43 N ATOM 1204 CA SER A 85 11.210 -4.946 -10.347 1.00 72.41 C ATOM 1205 C SER A 85 11.749 -3.519 -10.362 1.00 73.43 C ATOM 1206 O SER A 85 12.626 -3.185 -11.159 1.00 1.24 O ATOM 1207 CB SER A 85 9.681 -4.925 -10.305 1.00 3.21 C ATOM 1208 OG SER A 85 9.143 -6.189 -10.654 1.00 40.30 O ATOM 0 HA SER A 85 11.535 -5.448 -11.258 1.00 72.41 H new ATOM 0 HB2 SER A 85 9.345 -4.647 -9.306 1.00 3.21 H new ATOM 0 HB3 SER A 85 9.306 -4.165 -10.990 1.00 3.21 H new ATOM 0 HG SER A 85 9.750 -6.897 -10.353 1.00 40.30 H new ATOM 1213 N GLU A 86 11.219 -2.683 -9.476 1.00 54.33 N ATOM 1214 CA GLU A 86 11.646 -1.291 -9.389 1.00 52.20 C ATOM 1215 C GLU A 86 11.606 -0.622 -10.760 1.00 13.42 C ATOM 1216 O GLU A 86 12.635 -0.278 -11.341 1.00 13.32 O ATOM 1217 CB GLU A 86 13.058 -1.204 -8.808 1.00 62.22 C ATOM 1218 CG GLU A 86 13.242 -2.009 -7.532 1.00 41.03 C ATOM 1219 CD GLU A 86 12.135 -1.766 -6.524 1.00 24.20 C ATOM 1220 OE1 GLU A 86 11.034 -2.325 -6.705 1.00 33.20 O ATOM 1221 OE2 GLU A 86 12.372 -1.016 -5.553 1.00 33.44 O ATOM 0 H GLU A 86 10.494 -2.944 -8.808 1.00 54.33 H new ATOM 0 HA GLU A 86 10.956 -0.767 -8.728 1.00 52.20 H new ATOM 0 HB2 GLU A 86 13.771 -1.554 -9.554 1.00 62.22 H new ATOM 0 HB3 GLU A 86 13.295 -0.159 -8.606 1.00 62.22 H new ATOM 0 HG2 GLU A 86 13.277 -3.070 -7.778 1.00 41.03 H new ATOM 0 HG3 GLU A 86 14.201 -1.754 -7.081 1.00 41.03 H new ATOM 1226 N PRO A 87 10.389 -0.435 -11.291 1.00 14.52 N ATOM 1227 CA PRO A 87 10.184 0.193 -12.600 1.00 40.54 C ATOM 1228 C PRO A 87 10.515 1.682 -12.586 1.00 40.03 C ATOM 1229 O PRO A 87 10.313 2.382 -13.579 1.00 52.23 O ATOM 1230 CB PRO A 87 8.692 -0.020 -12.867 1.00 1.11 C ATOM 1231 CG PRO A 87 8.080 -0.153 -11.514 1.00 73.34 C ATOM 1232 CD PRO A 87 9.118 -0.821 -10.655 1.00 13.11 C ATOM 0 HA PRO A 87 10.833 -0.236 -13.364 1.00 40.54 H new ATOM 0 HB2 PRO A 87 8.264 0.820 -13.414 1.00 1.11 H new ATOM 0 HB3 PRO A 87 8.521 -0.913 -13.468 1.00 1.11 H new ATOM 0 HG2 PRO A 87 7.808 0.823 -11.111 1.00 73.34 H new ATOM 0 HG3 PRO A 87 7.167 -0.746 -11.555 1.00 73.34 H new ATOM 0 HD2 PRO A 87 9.066 -0.478 -9.622 1.00 13.11 H new ATOM 0 HD3 PRO A 87 8.990 -1.903 -10.638 1.00 13.11 H new ATOM 1237 N TYR A 88 11.025 2.160 -11.457 1.00 10.53 N ATOM 1238 CA TYR A 88 11.382 3.566 -11.313 1.00 33.11 C ATOM 1239 C TYR A 88 10.365 4.461 -12.014 1.00 74.22 C ATOM 1240 O TYR A 88 10.594 4.923 -13.132 1.00 51.23 O ATOM 1241 CB TYR A 88 12.779 3.820 -11.882 1.00 74.40 C ATOM 1242 CG TYR A 88 13.073 3.031 -13.139 1.00 53.11 C ATOM 1243 CD1 TYR A 88 12.770 3.548 -14.393 1.00 32.40 C ATOM 1244 CD2 TYR A 88 13.651 1.769 -13.073 1.00 44.24 C ATOM 1245 CE1 TYR A 88 13.036 2.831 -15.544 1.00 50.32 C ATOM 1246 CE2 TYR A 88 13.922 1.046 -14.218 1.00 42.30 C ATOM 1247 CZ TYR A 88 13.613 1.581 -15.451 1.00 34.21 C ATOM 1248 OH TYR A 88 13.879 0.863 -16.595 1.00 11.12 O ATOM 0 H TYR A 88 11.201 1.594 -10.627 1.00 10.53 H new ATOM 0 HA TYR A 88 11.380 3.808 -10.250 1.00 33.11 H new ATOM 0 HB2 TYR A 88 12.887 4.883 -12.097 1.00 74.40 H new ATOM 0 HB3 TYR A 88 13.522 3.571 -11.124 1.00 74.40 H new ATOM 0 HD1 TYR A 88 12.319 4.526 -14.469 1.00 32.40 H new ATOM 0 HD2 TYR A 88 13.893 1.346 -12.109 1.00 44.24 H new ATOM 0 HE1 TYR A 88 12.794 3.247 -16.511 1.00 50.32 H new ATOM 0 HE2 TYR A 88 14.373 0.067 -14.148 1.00 42.30 H new ATOM 0 HH TYR A 88 14.286 0.004 -16.355 1.00 11.12 H new ATOM 1257 N PHE A 89 9.240 4.701 -11.349 1.00 24.43 N ATOM 1258 CA PHE A 89 8.186 5.540 -11.907 1.00 23.13 C ATOM 1259 C PHE A 89 8.516 7.019 -11.727 1.00 40.43 C ATOM 1260 O PHE A 89 9.579 7.372 -11.220 1.00 23.11 O ATOM 1261 CB PHE A 89 6.845 5.221 -11.242 1.00 62.30 C ATOM 1262 CG PHE A 89 6.199 3.971 -11.768 1.00 50.42 C ATOM 1263 CD1 PHE A 89 5.777 3.895 -13.085 1.00 53.53 C ATOM 1264 CD2 PHE A 89 6.011 2.873 -10.944 1.00 4.00 C ATOM 1265 CE1 PHE A 89 5.180 2.747 -13.572 1.00 63.33 C ATOM 1266 CE2 PHE A 89 5.418 1.722 -11.425 1.00 35.15 C ATOM 1267 CZ PHE A 89 5.001 1.659 -12.740 1.00 12.23 C ATOM 0 H PHE A 89 9.035 4.326 -10.423 1.00 24.43 H new ATOM 0 HA PHE A 89 8.114 5.329 -12.974 1.00 23.13 H new ATOM 0 HB2 PHE A 89 6.996 5.118 -10.168 1.00 62.30 H new ATOM 0 HB3 PHE A 89 6.166 6.061 -11.389 1.00 62.30 H new ATOM 0 HD1 PHE A 89 5.916 4.743 -13.739 1.00 53.53 H new ATOM 0 HD2 PHE A 89 6.332 2.918 -9.914 1.00 4.00 H new ATOM 0 HE1 PHE A 89 4.854 2.701 -14.601 1.00 63.33 H new ATOM 0 HE2 PHE A 89 5.281 0.872 -10.773 1.00 35.15 H new ATOM 0 HZ PHE A 89 4.536 0.760 -13.117 1.00 12.23 H new ATOM 1276 N GLY A 90 7.595 7.880 -12.149 1.00 1.30 N ATOM 1277 CA GLY A 90 7.806 9.311 -12.028 1.00 44.41 C ATOM 1278 C GLY A 90 7.530 9.821 -10.627 1.00 52.44 C ATOM 1279 O GLY A 90 8.415 10.373 -9.974 1.00 3.42 O ATOM 0 H GLY A 90 6.707 7.612 -12.572 1.00 1.30 H new ATOM 0 HA2 GLY A 90 8.834 9.548 -12.302 1.00 44.41 H new ATOM 0 HA3 GLY A 90 7.160 9.832 -12.735 1.00 44.41 H new ATOM 1283 N SER A 91 6.297 9.637 -10.164 1.00 33.41 N ATOM 1284 CA SER A 91 5.904 10.087 -8.834 1.00 5.11 C ATOM 1285 C SER A 91 4.956 9.087 -8.180 1.00 5.34 C ATOM 1286 O SER A 91 4.527 8.119 -8.808 1.00 1.24 O ATOM 1287 CB SER A 91 5.238 11.462 -8.914 1.00 33.11 C ATOM 1288 OG SER A 91 6.077 12.468 -8.373 1.00 74.34 O ATOM 0 H SER A 91 5.553 9.179 -10.691 1.00 33.41 H new ATOM 0 HA SER A 91 6.803 10.162 -8.222 1.00 5.11 H new ATOM 0 HB2 SER A 91 5.006 11.697 -9.953 1.00 33.11 H new ATOM 0 HB3 SER A 91 4.292 11.443 -8.373 1.00 33.11 H new ATOM 0 HG SER A 91 5.629 13.337 -8.438 1.00 74.34 H new ATOM 1293 N LEU A 92 4.635 9.328 -6.914 1.00 3.51 N ATOM 1294 CA LEU A 92 3.737 8.450 -6.171 1.00 25.55 C ATOM 1295 C LEU A 92 2.435 8.232 -6.933 1.00 54.35 C ATOM 1296 O LEU A 92 1.875 7.135 -6.927 1.00 52.34 O ATOM 1297 CB LEU A 92 3.442 9.038 -4.790 1.00 55.24 C ATOM 1298 CG LEU A 92 4.489 8.771 -3.708 1.00 72.22 C ATOM 1299 CD1 LEU A 92 5.331 10.013 -3.463 1.00 21.50 C ATOM 1300 CD2 LEU A 92 3.820 8.314 -2.420 1.00 14.22 C ATOM 0 H LEU A 92 4.983 10.124 -6.380 1.00 3.51 H new ATOM 0 HA LEU A 92 4.231 7.486 -6.049 1.00 25.55 H new ATOM 0 HB2 LEU A 92 3.324 10.117 -4.894 1.00 55.24 H new ATOM 0 HB3 LEU A 92 2.485 8.644 -4.447 1.00 55.24 H new ATOM 0 HG LEU A 92 5.147 7.974 -4.054 1.00 72.22 H new ATOM 0 HD11 LEU A 92 6.071 9.804 -2.690 1.00 21.50 H new ATOM 0 HD12 LEU A 92 5.839 10.296 -4.385 1.00 21.50 H new ATOM 0 HD13 LEU A 92 4.687 10.831 -3.138 1.00 21.50 H new ATOM 0 HD21 LEU A 92 4.580 8.129 -1.661 1.00 14.22 H new ATOM 0 HD22 LEU A 92 3.138 9.089 -2.069 1.00 14.22 H new ATOM 0 HD23 LEU A 92 3.261 7.397 -2.606 1.00 14.22 H new ATOM 1311 N SER A 93 1.958 9.285 -7.592 1.00 14.35 N ATOM 1312 CA SER A 93 0.719 9.209 -8.358 1.00 1.14 C ATOM 1313 C SER A 93 0.900 8.341 -9.599 1.00 74.32 C ATOM 1314 O SER A 93 -0.020 7.643 -10.022 1.00 12.12 O ATOM 1315 CB SER A 93 0.260 10.611 -8.764 1.00 34.31 C ATOM 1316 OG SER A 93 0.856 11.008 -9.987 1.00 22.00 O ATOM 0 H SER A 93 2.410 10.199 -7.610 1.00 14.35 H new ATOM 0 HA SER A 93 -0.043 8.753 -7.726 1.00 1.14 H new ATOM 0 HB2 SER A 93 -0.825 10.628 -8.862 1.00 34.31 H new ATOM 0 HB3 SER A 93 0.520 11.323 -7.981 1.00 34.31 H new ATOM 0 HG SER A 93 0.546 11.906 -10.226 1.00 22.00 H new ATOM 1321 N ALA A 94 2.095 8.391 -10.179 1.00 63.41 N ATOM 1322 CA ALA A 94 2.399 7.609 -11.371 1.00 24.23 C ATOM 1323 C ALA A 94 2.400 6.116 -11.062 1.00 31.04 C ATOM 1324 O ALA A 94 1.825 5.318 -11.803 1.00 54.23 O ATOM 1325 CB ALA A 94 3.742 8.031 -11.950 1.00 71.34 C ATOM 0 H ALA A 94 2.868 8.965 -9.843 1.00 63.41 H new ATOM 0 HA ALA A 94 1.621 7.800 -12.110 1.00 24.23 H new ATOM 0 HB1 ALA A 94 3.957 7.439 -12.840 1.00 71.34 H new ATOM 0 HB2 ALA A 94 3.708 9.087 -12.216 1.00 71.34 H new ATOM 0 HB3 ALA A 94 4.525 7.869 -11.209 1.00 71.34 H new ATOM 1331 N LEU A 95 3.050 5.744 -9.965 1.00 14.20 N ATOM 1332 CA LEU A 95 3.126 4.345 -9.558 1.00 55.41 C ATOM 1333 C LEU A 95 1.778 3.856 -9.037 1.00 24.53 C ATOM 1334 O LEU A 95 1.429 2.685 -9.191 1.00 65.34 O ATOM 1335 CB LEU A 95 4.198 4.164 -8.481 1.00 73.55 C ATOM 1336 CG LEU A 95 4.112 5.110 -7.284 1.00 4.24 C ATOM 1337 CD1 LEU A 95 3.182 4.543 -6.222 1.00 41.05 C ATOM 1338 CD2 LEU A 95 5.497 5.361 -6.702 1.00 73.11 C ATOM 0 H LEU A 95 3.532 6.391 -9.341 1.00 14.20 H new ATOM 0 HA LEU A 95 3.394 3.752 -10.432 1.00 55.41 H new ATOM 0 HB2 LEU A 95 4.146 3.139 -8.113 1.00 73.55 H new ATOM 0 HB3 LEU A 95 5.176 4.286 -8.946 1.00 73.55 H new ATOM 0 HG LEU A 95 3.704 6.061 -7.626 1.00 4.24 H new ATOM 0 HD11 LEU A 95 3.133 5.230 -5.377 1.00 41.05 H new ATOM 0 HD12 LEU A 95 2.185 4.414 -6.643 1.00 41.05 H new ATOM 0 HD13 LEU A 95 3.561 3.579 -5.884 1.00 41.05 H new ATOM 0 HD21 LEU A 95 5.417 6.037 -5.851 1.00 73.11 H new ATOM 0 HD22 LEU A 95 5.931 4.416 -6.376 1.00 73.11 H new ATOM 0 HD23 LEU A 95 6.135 5.810 -7.463 1.00 73.11 H new ATOM 1349 N VAL A 96 1.024 4.760 -8.421 1.00 3.10 N ATOM 1350 CA VAL A 96 -0.287 4.421 -7.880 1.00 31.12 C ATOM 1351 C VAL A 96 -1.286 4.136 -8.996 1.00 62.32 C ATOM 1352 O VAL A 96 -2.072 3.194 -8.913 1.00 75.21 O ATOM 1353 CB VAL A 96 -0.836 5.553 -6.991 1.00 12.23 C ATOM 1354 CG1 VAL A 96 -2.342 5.418 -6.824 1.00 11.21 C ATOM 1355 CG2 VAL A 96 -0.141 5.552 -5.638 1.00 64.23 C ATOM 0 H VAL A 96 1.298 5.733 -8.284 1.00 3.10 H new ATOM 0 HA VAL A 96 -0.158 3.523 -7.275 1.00 31.12 H new ATOM 0 HB VAL A 96 -0.632 6.506 -7.479 1.00 12.23 H new ATOM 0 HG11 VAL A 96 -2.712 6.226 -6.193 1.00 11.21 H new ATOM 0 HG12 VAL A 96 -2.823 5.471 -7.801 1.00 11.21 H new ATOM 0 HG13 VAL A 96 -2.572 4.460 -6.358 1.00 11.21 H new ATOM 0 HG21 VAL A 96 -0.541 6.358 -5.023 1.00 64.23 H new ATOM 0 HG22 VAL A 96 -0.313 4.597 -5.141 1.00 64.23 H new ATOM 0 HG23 VAL A 96 0.930 5.700 -5.779 1.00 64.23 H new ATOM 1365 N SER A 97 -1.248 4.959 -10.040 1.00 0.01 N ATOM 1366 CA SER A 97 -2.152 4.798 -11.173 1.00 21.05 C ATOM 1367 C SER A 97 -1.774 3.572 -12.000 1.00 23.32 C ATOM 1368 O SER A 97 -2.641 2.850 -12.491 1.00 3.13 O ATOM 1369 CB SER A 97 -2.128 6.048 -12.053 1.00 64.51 C ATOM 1370 OG SER A 97 -0.801 6.395 -12.411 1.00 3.52 O ATOM 0 H SER A 97 -0.601 5.743 -10.124 1.00 0.01 H new ATOM 0 HA SER A 97 -3.160 4.656 -10.784 1.00 21.05 H new ATOM 0 HB2 SER A 97 -2.717 5.874 -12.953 1.00 64.51 H new ATOM 0 HB3 SER A 97 -2.594 6.879 -11.523 1.00 64.51 H new ATOM 0 HG SER A 97 -0.391 6.912 -11.686 1.00 3.52 H new ATOM 1375 N GLN A 98 -0.472 3.345 -12.149 1.00 41.11 N ATOM 1376 CA GLN A 98 0.021 2.209 -12.917 1.00 3.04 C ATOM 1377 C GLN A 98 -0.324 0.894 -12.225 1.00 32.43 C ATOM 1378 O GLN A 98 -0.498 -0.136 -12.878 1.00 3.44 O ATOM 1379 CB GLN A 98 1.535 2.316 -13.110 1.00 35.22 C ATOM 1380 CG GLN A 98 1.937 2.905 -14.452 1.00 75.22 C ATOM 1381 CD GLN A 98 2.284 1.842 -15.476 1.00 22.14 C ATOM 1382 OE1 GLN A 98 1.500 1.769 -16.544 1.00 2.30 O flip ATOM 1383 NE2 GLN A 98 3.248 1.094 -15.308 1.00 74.25 N flip ATOM 0 H GLN A 98 0.259 3.933 -11.748 1.00 41.11 H new ATOM 0 HA GLN A 98 -0.464 2.223 -13.893 1.00 3.04 H new ATOM 0 HB2 GLN A 98 1.952 2.932 -12.313 1.00 35.22 H new ATOM 0 HB3 GLN A 98 1.977 1.324 -13.011 1.00 35.22 H new ATOM 0 HG2 GLN A 98 1.121 3.519 -14.834 1.00 75.22 H new ATOM 0 HG3 GLN A 98 2.794 3.564 -14.313 1.00 75.22 H new ATOM 0 HE21 GLN A 98 3.825 1.185 -14.472 1.00 74.25 H new ATOM 0 HE22 GLN A 98 3.470 0.383 -16.005 1.00 74.25 H new ATOM 1390 N HIS A 99 -0.420 0.935 -10.900 1.00 22.22 N ATOM 1391 CA HIS A 99 -0.743 -0.254 -10.119 1.00 13.12 C ATOM 1392 C HIS A 99 -2.180 -0.697 -10.376 1.00 11.44 C ATOM 1393 O HIS A 99 -2.582 -1.792 -9.983 1.00 2.55 O ATOM 1394 CB HIS A 99 -0.540 0.019 -8.628 1.00 32.53 C ATOM 1395 CG HIS A 99 0.884 -0.122 -8.183 1.00 11.15 C ATOM 1396 ND1 HIS A 99 1.951 -0.105 -9.057 1.00 42.41 N ATOM 1397 CD2 HIS A 99 1.414 -0.281 -6.948 1.00 11.44 C ATOM 1398 CE1 HIS A 99 3.074 -0.248 -8.378 1.00 20.45 C ATOM 1399 NE2 HIS A 99 2.776 -0.358 -7.096 1.00 44.54 N ATOM 0 H HIS A 99 -0.279 1.779 -10.344 1.00 22.22 H new ATOM 0 HA HIS A 99 -0.073 -1.056 -10.428 1.00 13.12 H new ATOM 0 HB2 HIS A 99 -0.885 1.028 -8.401 1.00 32.53 H new ATOM 0 HB3 HIS A 99 -1.162 -0.667 -8.053 1.00 32.53 H new ATOM 0 HD2 HIS A 99 0.867 -0.337 -6.019 1.00 11.44 H new ATOM 0 HE1 HIS A 99 4.068 -0.271 -8.799 1.00 20.45 H new ATOM 0 HE2 HIS A 99 3.449 -0.480 -6.339 1.00 44.54 H new ATOM 1406 N SER A 100 -2.951 0.162 -11.037 1.00 24.35 N ATOM 1407 CA SER A 100 -4.345 -0.139 -11.342 1.00 22.25 C ATOM 1408 C SER A 100 -4.484 -0.692 -12.757 1.00 12.21 C ATOM 1409 O SER A 100 -5.593 -0.934 -13.233 1.00 31.45 O ATOM 1410 CB SER A 100 -5.205 1.115 -11.184 1.00 51.04 C ATOM 1411 OG SER A 100 -5.558 1.653 -12.448 1.00 12.55 O ATOM 0 H SER A 100 -2.633 1.072 -11.371 1.00 24.35 H new ATOM 0 HA SER A 100 -4.690 -0.898 -10.640 1.00 22.25 H new ATOM 0 HB2 SER A 100 -6.108 0.873 -10.623 1.00 51.04 H new ATOM 0 HB3 SER A 100 -4.662 1.862 -10.606 1.00 51.04 H new ATOM 0 HG SER A 100 -4.806 2.169 -12.805 1.00 12.55 H new ATOM 1416 N ILE A 101 -3.351 -0.889 -13.423 1.00 2.32 N ATOM 1417 CA ILE A 101 -3.346 -1.413 -14.783 1.00 2.23 C ATOM 1418 C ILE A 101 -2.333 -2.544 -14.932 1.00 14.44 C ATOM 1419 O ILE A 101 -2.580 -3.521 -15.638 1.00 35.41 O ATOM 1420 CB ILE A 101 -3.023 -0.312 -15.810 1.00 31.02 C ATOM 1421 CG1 ILE A 101 -4.014 0.846 -15.676 1.00 31.51 C ATOM 1422 CG2 ILE A 101 -3.050 -0.880 -17.221 1.00 51.51 C ATOM 1423 CD1 ILE A 101 -5.450 0.445 -15.933 1.00 43.45 C ATOM 0 H ILE A 101 -2.425 -0.694 -13.043 1.00 2.32 H new ATOM 0 HA ILE A 101 -4.348 -1.796 -14.977 1.00 2.23 H new ATOM 0 HB ILE A 101 -2.021 0.068 -15.612 1.00 31.02 H new ATOM 0 HG12 ILE A 101 -3.936 1.266 -14.673 1.00 31.51 H new ATOM 0 HG13 ILE A 101 -3.735 1.635 -16.374 1.00 31.51 H new ATOM 0 HG21 ILE A 101 -2.820 -0.090 -17.936 1.00 51.51 H new ATOM 0 HG22 ILE A 101 -2.309 -1.675 -17.308 1.00 51.51 H new ATOM 0 HG23 ILE A 101 -4.041 -1.283 -17.432 1.00 51.51 H new ATOM 0 HD11 ILE A 101 -6.096 1.315 -15.821 1.00 43.45 H new ATOM 0 HD12 ILE A 101 -5.543 0.053 -16.946 1.00 43.45 H new ATOM 0 HD13 ILE A 101 -5.747 -0.322 -15.218 1.00 43.45 H new ATOM 1434 N SER A 102 -1.196 -2.405 -14.260 1.00 4.05 N ATOM 1435 CA SER A 102 -0.145 -3.414 -14.318 1.00 21.42 C ATOM 1436 C SER A 102 0.453 -3.657 -12.936 1.00 22.12 C ATOM 1437 O SER A 102 1.523 -3.152 -12.596 1.00 63.44 O ATOM 1438 CB SER A 102 0.953 -2.981 -15.292 1.00 0.41 C ATOM 1439 OG SER A 102 0.803 -3.622 -16.547 1.00 13.11 O ATOM 0 H SER A 102 -0.978 -1.603 -13.668 1.00 4.05 H new ATOM 0 HA SER A 102 -0.589 -4.345 -14.671 1.00 21.42 H new ATOM 0 HB2 SER A 102 0.919 -1.900 -15.426 1.00 0.41 H new ATOM 0 HB3 SER A 102 1.930 -3.220 -14.873 1.00 0.41 H new ATOM 0 HG SER A 102 1.515 -3.327 -17.152 1.00 13.11 H new ATOM 1444 N PRO A 103 -0.255 -4.450 -12.118 1.00 4.13 N ATOM 1445 CA PRO A 103 0.186 -4.779 -10.758 1.00 53.11 C ATOM 1446 C PRO A 103 1.407 -5.694 -10.750 1.00 55.43 C ATOM 1447 O PRO A 103 1.333 -6.845 -11.181 1.00 30.44 O ATOM 1448 CB PRO A 103 -1.024 -5.497 -10.157 1.00 54.31 C ATOM 1449 CG PRO A 103 -1.752 -6.060 -11.330 1.00 4.00 C ATOM 1450 CD PRO A 103 -1.539 -5.086 -12.456 1.00 23.25 C ATOM 0 HA PRO A 103 0.492 -3.892 -10.203 1.00 53.11 H new ATOM 0 HB2 PRO A 103 -0.716 -6.283 -9.468 1.00 54.31 H new ATOM 0 HB3 PRO A 103 -1.654 -4.808 -9.594 1.00 54.31 H new ATOM 0 HG2 PRO A 103 -1.369 -7.047 -11.590 1.00 4.00 H new ATOM 0 HG3 PRO A 103 -2.813 -6.177 -11.111 1.00 4.00 H new ATOM 0 HD2 PRO A 103 -1.496 -5.591 -13.421 1.00 23.25 H new ATOM 0 HD3 PRO A 103 -2.346 -4.356 -12.514 1.00 23.25 H new ATOM 1455 N ILE A 104 2.526 -5.176 -10.258 1.00 43.41 N ATOM 1456 CA ILE A 104 3.761 -5.947 -10.192 1.00 12.00 C ATOM 1457 C ILE A 104 3.790 -6.833 -8.952 1.00 22.01 C ATOM 1458 O ILE A 104 3.747 -8.060 -9.052 1.00 42.42 O ATOM 1459 CB ILE A 104 4.998 -5.029 -10.183 1.00 35.43 C ATOM 1460 CG1 ILE A 104 5.017 -4.152 -11.437 1.00 4.11 C ATOM 1461 CG2 ILE A 104 6.270 -5.858 -10.090 1.00 0.02 C ATOM 1462 CD1 ILE A 104 6.144 -3.143 -11.450 1.00 44.02 C ATOM 0 H ILE A 104 2.603 -4.225 -9.899 1.00 43.41 H new ATOM 0 HA ILE A 104 3.790 -6.573 -11.084 1.00 12.00 H new ATOM 0 HB ILE A 104 4.946 -4.380 -9.309 1.00 35.43 H new ATOM 0 HG12 ILE A 104 5.101 -4.791 -12.316 1.00 4.11 H new ATOM 0 HG13 ILE A 104 4.066 -3.624 -11.516 1.00 4.11 H new ATOM 0 HG21 ILE A 104 7.136 -5.196 -10.085 1.00 0.02 H new ATOM 0 HG22 ILE A 104 6.256 -6.444 -9.171 1.00 0.02 H new ATOM 0 HG23 ILE A 104 6.331 -6.528 -10.947 1.00 0.02 H new ATOM 0 HD11 ILE A 104 6.096 -2.556 -12.367 1.00 44.02 H new ATOM 0 HD12 ILE A 104 6.049 -2.480 -10.590 1.00 44.02 H new ATOM 0 HD13 ILE A 104 7.100 -3.665 -11.402 1.00 44.02 H new ATOM 1473 N SER A 105 3.862 -6.204 -7.783 1.00 10.22 N ATOM 1474 CA SER A 105 3.899 -6.936 -6.522 1.00 13.23 C ATOM 1475 C SER A 105 2.503 -7.041 -5.914 1.00 42.20 C ATOM 1476 O SER A 105 2.349 -7.119 -4.695 1.00 10.33 O ATOM 1477 CB SER A 105 4.846 -6.248 -5.537 1.00 74.42 C ATOM 1478 OG SER A 105 4.168 -5.259 -4.783 1.00 64.21 O ATOM 0 H SER A 105 3.896 -5.189 -7.683 1.00 10.22 H new ATOM 0 HA SER A 105 4.265 -7.943 -6.725 1.00 13.23 H new ATOM 0 HB2 SER A 105 5.278 -6.990 -4.865 1.00 74.42 H new ATOM 0 HB3 SER A 105 5.673 -5.791 -6.081 1.00 74.42 H new ATOM 0 HG SER A 105 3.508 -5.688 -4.200 1.00 64.21 H new ATOM 1483 N LEU A 106 1.490 -7.042 -6.772 1.00 53.04 N ATOM 1484 CA LEU A 106 0.105 -7.138 -6.321 1.00 61.15 C ATOM 1485 C LEU A 106 -0.633 -8.250 -7.060 1.00 63.31 C ATOM 1486 O LEU A 106 -0.264 -8.645 -8.166 1.00 51.32 O ATOM 1487 CB LEU A 106 -0.614 -5.804 -6.534 1.00 22.24 C ATOM 1488 CG LEU A 106 0.268 -4.556 -6.517 1.00 3.43 C ATOM 1489 CD1 LEU A 106 -0.561 -3.312 -6.799 1.00 61.21 C ATOM 1490 CD2 LEU A 106 0.987 -4.428 -5.181 1.00 54.20 C ATOM 0 H LEU A 106 1.600 -6.977 -7.784 1.00 53.04 H new ATOM 0 HA LEU A 106 0.110 -7.376 -5.257 1.00 61.15 H new ATOM 0 HB2 LEU A 106 -1.135 -5.844 -7.491 1.00 22.24 H new ATOM 0 HB3 LEU A 106 -1.375 -5.697 -5.761 1.00 22.24 H new ATOM 0 HG LEU A 106 1.017 -4.654 -7.302 1.00 3.43 H new ATOM 0 HD11 LEU A 106 0.084 -2.434 -6.783 1.00 61.21 H new ATOM 0 HD12 LEU A 106 -1.028 -3.401 -7.780 1.00 61.21 H new ATOM 0 HD13 LEU A 106 -1.333 -3.209 -6.037 1.00 61.21 H new ATOM 0 HD21 LEU A 106 1.610 -3.534 -5.187 1.00 54.20 H new ATOM 0 HD22 LEU A 106 0.253 -4.353 -4.379 1.00 54.20 H new ATOM 0 HD23 LEU A 106 1.613 -5.305 -5.019 1.00 54.20 H new ATOM 1501 N PRO A 107 -1.701 -8.767 -6.436 1.00 53.21 N ATOM 1502 CA PRO A 107 -2.515 -9.838 -7.017 1.00 33.24 C ATOM 1503 C PRO A 107 -3.324 -9.366 -8.220 1.00 50.54 C ATOM 1504 O PRO A 107 -3.635 -10.149 -9.119 1.00 1.12 O ATOM 1505 CB PRO A 107 -3.447 -10.238 -5.871 1.00 3.13 C ATOM 1506 CG PRO A 107 -3.537 -9.022 -5.014 1.00 20.03 C ATOM 1507 CD PRO A 107 -2.199 -8.344 -5.116 1.00 64.51 C ATOM 0 HA PRO A 107 -1.901 -10.657 -7.392 1.00 33.24 H new ATOM 0 HB2 PRO A 107 -4.428 -10.534 -6.243 1.00 3.13 H new ATOM 0 HB3 PRO A 107 -3.049 -11.086 -5.314 1.00 3.13 H new ATOM 0 HG2 PRO A 107 -4.336 -8.363 -5.354 1.00 20.03 H new ATOM 0 HG3 PRO A 107 -3.762 -9.288 -3.981 1.00 20.03 H new ATOM 0 HD2 PRO A 107 -2.292 -7.260 -5.050 1.00 64.51 H new ATOM 0 HD3 PRO A 107 -1.529 -8.656 -4.315 1.00 64.51 H new ATOM 1512 N CYS A 108 -3.661 -8.080 -8.232 1.00 15.13 N ATOM 1513 CA CYS A 108 -4.435 -7.503 -9.325 1.00 33.12 C ATOM 1514 C CYS A 108 -4.455 -5.981 -9.232 1.00 42.20 C ATOM 1515 O CYS A 108 -4.027 -5.405 -8.232 1.00 44.05 O ATOM 1516 CB CYS A 108 -5.864 -8.046 -9.309 1.00 61.20 C ATOM 1517 SG CYS A 108 -6.517 -8.457 -10.946 1.00 4.14 S ATOM 0 H CYS A 108 -3.410 -7.418 -7.497 1.00 15.13 H new ATOM 0 HA CYS A 108 -3.958 -7.786 -10.264 1.00 33.12 H new ATOM 0 HB2 CYS A 108 -5.895 -8.938 -8.683 1.00 61.20 H new ATOM 0 HB3 CYS A 108 -6.517 -7.307 -8.844 1.00 61.20 H new ATOM 0 HG CYS A 108 -7.730 -8.910 -10.828 1.00 4.14 H new ATOM 1522 N CYS A 109 -4.954 -5.336 -10.281 1.00 1.40 N ATOM 1523 CA CYS A 109 -5.029 -3.879 -10.318 1.00 32.32 C ATOM 1524 C CYS A 109 -5.705 -3.337 -9.064 1.00 14.45 C ATOM 1525 O CYS A 109 -6.740 -3.848 -8.633 1.00 53.51 O ATOM 1526 CB CYS A 109 -5.789 -3.419 -11.562 1.00 54.23 C ATOM 1527 SG CYS A 109 -7.375 -4.252 -11.810 1.00 2.25 S ATOM 0 H CYS A 109 -5.312 -5.798 -11.117 1.00 1.40 H new ATOM 0 HA CYS A 109 -4.012 -3.488 -10.357 1.00 32.32 H new ATOM 0 HB2 CYS A 109 -5.962 -2.345 -11.492 1.00 54.23 H new ATOM 0 HB3 CYS A 109 -5.163 -3.585 -12.439 1.00 54.23 H new ATOM 0 HG CYS A 109 -7.943 -3.793 -12.886 1.00 2.25 H new ATOM 1532 N LEU A 110 -5.114 -2.301 -8.481 1.00 5.02 N ATOM 1533 CA LEU A 110 -5.659 -1.689 -7.273 1.00 62.33 C ATOM 1534 C LEU A 110 -7.099 -1.239 -7.493 1.00 1.41 C ATOM 1535 O LEU A 110 -7.485 -0.880 -8.606 1.00 30.11 O ATOM 1536 CB LEU A 110 -4.799 -0.496 -6.849 1.00 74.32 C ATOM 1537 CG LEU A 110 -5.321 0.883 -7.251 1.00 55.32 C ATOM 1538 CD1 LEU A 110 -6.273 1.422 -6.193 1.00 61.54 C ATOM 1539 CD2 LEU A 110 -4.165 1.847 -7.472 1.00 42.34 C ATOM 0 H LEU A 110 -4.257 -1.866 -8.824 1.00 5.02 H new ATOM 0 HA LEU A 110 -5.648 -2.437 -6.480 1.00 62.33 H new ATOM 0 HB2 LEU A 110 -4.690 -0.519 -5.765 1.00 74.32 H new ATOM 0 HB3 LEU A 110 -3.803 -0.623 -7.272 1.00 74.32 H new ATOM 0 HG LEU A 110 -5.869 0.784 -8.188 1.00 55.32 H new ATOM 0 HD11 LEU A 110 -6.635 2.405 -6.496 1.00 61.54 H new ATOM 0 HD12 LEU A 110 -7.118 0.742 -6.083 1.00 61.54 H new ATOM 0 HD13 LEU A 110 -5.749 1.506 -5.241 1.00 61.54 H new ATOM 0 HD21 LEU A 110 -4.555 2.824 -7.758 1.00 42.34 H new ATOM 0 HD22 LEU A 110 -3.589 1.941 -6.552 1.00 42.34 H new ATOM 0 HD23 LEU A 110 -3.521 1.467 -8.266 1.00 42.34 H new ATOM 1550 N ARG A 111 -7.889 -1.259 -6.425 1.00 10.43 N ATOM 1551 CA ARG A 111 -9.288 -0.852 -6.501 1.00 2.33 C ATOM 1552 C ARG A 111 -9.452 0.609 -6.093 1.00 44.04 C ATOM 1553 O ARG A 111 -8.983 1.024 -5.032 1.00 71.11 O ATOM 1554 CB ARG A 111 -10.149 -1.743 -5.605 1.00 40.42 C ATOM 1555 CG ARG A 111 -10.223 -3.188 -6.072 1.00 42.13 C ATOM 1556 CD ARG A 111 -10.768 -3.288 -7.488 1.00 52.24 C ATOM 1557 NE ARG A 111 -11.559 -4.500 -7.685 1.00 74.54 N ATOM 1558 CZ ARG A 111 -11.027 -5.705 -7.854 1.00 61.21 C ATOM 1559 NH1 ARG A 111 -9.709 -5.859 -7.847 1.00 73.33 N ATOM 1560 NH2 ARG A 111 -11.812 -6.760 -8.028 1.00 71.51 N ATOM 0 H ARG A 111 -7.585 -1.553 -5.497 1.00 10.43 H new ATOM 0 HA ARG A 111 -9.617 -0.961 -7.534 1.00 2.33 H new ATOM 0 HB2 ARG A 111 -9.750 -1.718 -4.591 1.00 40.42 H new ATOM 0 HB3 ARG A 111 -11.158 -1.332 -5.561 1.00 40.42 H new ATOM 0 HG2 ARG A 111 -9.230 -3.636 -6.030 1.00 42.13 H new ATOM 0 HG3 ARG A 111 -10.859 -3.758 -5.395 1.00 42.13 H new ATOM 0 HD2 ARG A 111 -11.384 -2.414 -7.702 1.00 52.24 H new ATOM 0 HD3 ARG A 111 -9.940 -3.276 -8.197 1.00 52.24 H new ATOM 0 HE ARG A 111 -12.576 -4.416 -7.693 1.00 74.54 H new ATOM 0 HH11 ARG A 111 -9.102 -5.051 -7.712 1.00 73.33 H new ATOM 0 HH12 ARG A 111 -9.303 -6.786 -7.977 1.00 73.33 H new ATOM 0 HH21 ARG A 111 -12.826 -6.646 -8.032 1.00 71.51 H new ATOM 0 HH22 ARG A 111 -11.402 -7.685 -8.158 1.00 71.51 H new