USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 866 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 106 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 108 SER OG : rot 180:sc= 1.02 USER MOD Set 1.3: A 111 HIS : no HD1:sc= -2.04! C(o=-1!,f=-8.5!) USER MOD Set 2.1: A 17 LYS NZ :NH3+ 161:sc= 0.83 (180deg=-0.824) USER MOD Set 2.2: A 26 SER OG : rot -100:sc= 0.857 USER MOD Single : A 11 CYS SG : rot -1:sc= -0.0339 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -1.48 X(o=-1.5,f=-1.8) USER MOD Single : A 18 HIS : no HE2:sc= -0.19 K(o=-0.19,f=-1.1) USER MOD Single : A 19 SER OG : rot 180:sc= -0.175 USER MOD Single : A 20 GLN : amide:sc= -0.0208 K(o=-0.021,f=-0.55) USER MOD Single : A 21 SER OG : rot 130:sc= 0.303 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 1.14 K(o=1.1,f=-1.1) USER MOD Single : A 31 LYS NZ :NH3+ 164:sc= -0.0559 (180deg=-0.324) USER MOD Single : A 33 THR OG1 : rot 180:sc=0.000511 USER MOD Single : A 35 THR OG1 : rot -97:sc= 1.06 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 46 TYR OH : rot -36:sc= 0.344 USER MOD Single : A 48 GLN : amide:sc= -0.0598 K(o=-0.06,f=-0.62) USER MOD Single : A 49 LYS NZ :NH3+ 162:sc= -0.0519 (180deg=-0.323) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 78:sc= 0.263 USER MOD Single : A 59 SER OG : rot -153:sc= 1.3 USER MOD Single : A 62 SER OG : rot -59:sc= 0.0732 USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0123 F(o=-1.1,f=-0.012) USER MOD Single : A 65 SER OG : rot 23:sc= 2.04 USER MOD Single : A 67 SER OG : rot 180:sc= 0.13 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -169:sc=-0.00391 (180deg=-0.112) USER MOD Single : A 80 SER OG : rot 130:sc= -1.86 USER MOD Single : A 83 GLN : amide:sc= 0.223 X(o=0.22,f=0) USER MOD Single : A 84 MET CE :methyl 159:sc= -0.429 (180deg=-1.61) USER MOD Single : A 85 GLN : amide:sc= 0.788 K(o=0.79,f=-0.46) USER MOD Single : A 86 LYS NZ :NH3+ -178:sc= 1.18 (180deg=1.13) USER MOD Single : A 92 SER OG : rot 73:sc= -0.0408 USER MOD Single : A 97 THR OG1 : rot -56:sc= 1.24 USER MOD Single : A 100 MET CE :methyl 155:sc= -0.169 (180deg=-1.81) USER MOD Single : A 101 SER OG : rot -160:sc= 0 USER MOD Single : A 116 THR OG1 : rot 24:sc= 0.848 USER MOD ----------------------------------------------------------------- ATOM 85 N ALA A 7 2.320 19.557 -1.192 1.00 12.21 N ATOM 86 CA ALA A 7 2.138 19.579 0.245 1.00 2.20 C ATOM 87 C ALA A 7 0.881 18.830 0.641 1.00 65.13 C ATOM 88 O ALA A 7 0.922 17.919 1.468 1.00 51.22 O ATOM 89 CB ALA A 7 2.090 21.012 0.752 1.00 51.04 C ATOM 0 HA ALA A 7 2.989 19.078 0.705 1.00 2.20 H new ATOM 0 HB1 ALA A 7 1.953 21.011 1.833 1.00 51.04 H new ATOM 0 HB2 ALA A 7 3.024 21.517 0.505 1.00 51.04 H new ATOM 0 HB3 ALA A 7 1.259 21.537 0.281 1.00 51.04 H new ATOM 95 N ARG A 8 -0.236 19.207 0.046 1.00 24.13 N ATOM 96 CA ARG A 8 -1.513 18.583 0.346 1.00 11.50 C ATOM 97 C ARG A 8 -1.856 17.554 -0.712 1.00 63.20 C ATOM 98 O ARG A 8 -2.212 17.910 -1.840 1.00 4.54 O ATOM 99 CB ARG A 8 -2.617 19.631 0.404 1.00 25.31 C ATOM 100 CG ARG A 8 -2.329 20.792 1.337 1.00 41.34 C ATOM 101 CD ARG A 8 -3.435 21.822 1.262 1.00 33.24 C ATOM 102 NE ARG A 8 -3.683 22.246 -0.120 1.00 61.04 N ATOM 103 CZ ARG A 8 -4.894 22.311 -0.682 1.00 73.42 C ATOM 104 NH1 ARG A 8 -5.981 22.019 0.028 1.00 63.42 N ATOM 105 NH2 ARG A 8 -5.017 22.668 -1.948 1.00 34.45 N ATOM 0 H ARG A 8 -0.285 19.948 -0.653 1.00 24.13 H new ATOM 0 HA ARG A 8 -1.432 18.092 1.316 1.00 11.50 H new ATOM 0 HB2 ARG A 8 -2.785 20.020 -0.600 1.00 25.31 H new ATOM 0 HB3 ARG A 8 -3.543 19.149 0.718 1.00 25.31 H new ATOM 0 HG2 ARG A 8 -2.232 20.428 2.360 1.00 41.34 H new ATOM 0 HG3 ARG A 8 -1.377 21.252 1.071 1.00 41.34 H new ATOM 0 HD2 ARG A 8 -4.349 21.407 1.686 1.00 33.24 H new ATOM 0 HD3 ARG A 8 -3.168 22.688 1.867 1.00 33.24 H new ATOM 0 HE ARG A 8 -2.879 22.508 -0.690 1.00 61.04 H new ATOM 0 HH11 ARG A 8 -5.893 21.744 1.006 1.00 63.42 H new ATOM 0 HH12 ARG A 8 -6.903 22.070 -0.406 1.00 63.42 H new ATOM 0 HH21 ARG A 8 -4.188 22.894 -2.497 1.00 34.45 H new ATOM 0 HH22 ARG A 8 -5.941 22.717 -2.376 1.00 34.45 H new ATOM 119 N VAL A 9 -1.751 16.289 -0.363 1.00 23.34 N ATOM 120 CA VAL A 9 -2.033 15.224 -1.307 1.00 12.22 C ATOM 121 C VAL A 9 -2.892 14.136 -0.685 1.00 34.03 C ATOM 122 O VAL A 9 -2.907 13.956 0.537 1.00 75.35 O ATOM 123 CB VAL A 9 -0.733 14.577 -1.858 1.00 22.02 C ATOM 124 CG1 VAL A 9 0.070 15.578 -2.665 1.00 42.50 C ATOM 125 CG2 VAL A 9 0.111 14.009 -0.726 1.00 62.31 C ATOM 0 H VAL A 9 -1.473 15.972 0.566 1.00 23.34 H new ATOM 0 HA VAL A 9 -2.577 15.689 -2.130 1.00 12.22 H new ATOM 0 HB VAL A 9 -1.021 13.758 -2.517 1.00 22.02 H new ATOM 0 HG11 VAL A 9 0.975 15.101 -3.040 1.00 42.50 H new ATOM 0 HG12 VAL A 9 -0.528 15.932 -3.505 1.00 42.50 H new ATOM 0 HG13 VAL A 9 0.341 16.423 -2.031 1.00 42.50 H new ATOM 0 HG21 VAL A 9 1.016 13.561 -1.136 1.00 62.31 H new ATOM 0 HG22 VAL A 9 0.382 14.809 -0.037 1.00 62.31 H new ATOM 0 HG23 VAL A 9 -0.460 13.249 -0.192 1.00 62.31 H new ATOM 135 N ARG A 10 -3.623 13.438 -1.526 1.00 45.23 N ATOM 136 CA ARG A 10 -4.403 12.301 -1.098 1.00 74.55 C ATOM 137 C ARG A 10 -3.891 11.063 -1.804 1.00 74.23 C ATOM 138 O ARG A 10 -3.580 11.109 -2.996 1.00 21.51 O ATOM 139 CB ARG A 10 -5.892 12.480 -1.412 1.00 40.43 C ATOM 140 CG ARG A 10 -6.723 11.278 -0.986 1.00 5.24 C ATOM 141 CD ARG A 10 -8.076 11.234 -1.665 1.00 14.13 C ATOM 142 NE ARG A 10 -8.764 9.976 -1.371 1.00 22.43 N ATOM 143 CZ ARG A 10 -9.286 9.155 -2.283 1.00 31.22 C ATOM 144 NH1 ARG A 10 -9.232 9.457 -3.577 1.00 13.54 N ATOM 145 NH2 ARG A 10 -9.858 8.025 -1.892 1.00 15.31 N ATOM 0 H ARG A 10 -3.693 13.643 -2.523 1.00 45.23 H new ATOM 0 HA ARG A 10 -4.299 12.204 -0.017 1.00 74.55 H new ATOM 0 HB2 ARG A 10 -6.262 13.372 -0.907 1.00 40.43 H new ATOM 0 HB3 ARG A 10 -6.018 12.644 -2.482 1.00 40.43 H new ATOM 0 HG2 ARG A 10 -6.176 10.363 -1.215 1.00 5.24 H new ATOM 0 HG3 ARG A 10 -6.864 11.303 0.095 1.00 5.24 H new ATOM 0 HD2 ARG A 10 -8.684 12.074 -1.329 1.00 14.13 H new ATOM 0 HD3 ARG A 10 -7.951 11.342 -2.742 1.00 14.13 H new ATOM 0 HE ARG A 10 -8.851 9.706 -0.391 1.00 22.43 H new ATOM 0 HH11 ARG A 10 -8.788 10.324 -3.880 1.00 13.54 H new ATOM 0 HH12 ARG A 10 -9.634 8.822 -4.266 1.00 13.54 H new ATOM 0 HH21 ARG A 10 -9.896 7.789 -0.900 1.00 15.31 H new ATOM 0 HH22 ARG A 10 -10.260 7.391 -2.583 1.00 15.31 H new ATOM 159 N CYS A 11 -3.782 9.973 -1.081 1.00 10.23 N ATOM 160 CA CYS A 11 -3.316 8.731 -1.658 1.00 2.21 C ATOM 161 C CYS A 11 -3.991 7.540 -1.000 1.00 32.45 C ATOM 162 O CYS A 11 -4.356 7.588 0.178 1.00 75.32 O ATOM 163 CB CYS A 11 -1.791 8.613 -1.525 1.00 25.30 C ATOM 164 SG CYS A 11 -0.866 9.916 -2.372 1.00 72.44 S ATOM 0 H CYS A 11 -4.010 9.920 -0.088 1.00 10.23 H new ATOM 0 HA CYS A 11 -3.577 8.734 -2.716 1.00 2.21 H new ATOM 0 HB2 CYS A 11 -1.528 8.626 -0.467 1.00 25.30 H new ATOM 0 HB3 CYS A 11 -1.478 7.646 -1.919 1.00 25.30 H new ATOM 0 HG CYS A 11 -1.696 10.722 -2.965 1.00 72.44 H new ATOM 170 N SER A 12 -4.178 6.494 -1.768 1.00 41.33 N ATOM 171 CA SER A 12 -4.733 5.264 -1.267 1.00 63.33 C ATOM 172 C SER A 12 -3.591 4.273 -1.066 1.00 1.41 C ATOM 173 O SER A 12 -2.594 4.323 -1.790 1.00 65.31 O ATOM 174 CB SER A 12 -5.767 4.719 -2.251 1.00 43.40 C ATOM 175 OG SER A 12 -6.736 5.711 -2.563 1.00 24.05 O ATOM 0 H SER A 12 -3.948 6.474 -2.762 1.00 41.33 H new ATOM 0 HA SER A 12 -5.239 5.432 -0.316 1.00 63.33 H new ATOM 0 HB2 SER A 12 -5.270 4.390 -3.163 1.00 43.40 H new ATOM 0 HB3 SER A 12 -6.259 3.845 -1.823 1.00 43.40 H new ATOM 0 HG SER A 12 -7.388 5.344 -3.196 1.00 24.05 H new ATOM 181 N HIS A 13 -3.715 3.395 -0.091 1.00 14.22 N ATOM 182 CA HIS A 13 -2.638 2.466 0.217 1.00 44.42 C ATOM 183 C HIS A 13 -3.134 1.052 0.474 1.00 42.15 C ATOM 184 O HIS A 13 -4.076 0.835 1.236 1.00 44.01 O ATOM 185 CB HIS A 13 -1.820 2.960 1.420 1.00 32.15 C ATOM 186 CG HIS A 13 -2.638 3.220 2.654 1.00 71.24 C ATOM 187 ND1 HIS A 13 -2.959 2.247 3.574 1.00 21.51 N ATOM 188 CD2 HIS A 13 -3.203 4.358 3.110 1.00 41.32 C ATOM 189 CE1 HIS A 13 -3.684 2.776 4.536 1.00 63.41 C ATOM 190 NE2 HIS A 13 -3.845 4.051 4.278 1.00 54.12 N ATOM 0 H HIS A 13 -4.542 3.303 0.499 1.00 14.22 H new ATOM 0 HA HIS A 13 -2.001 2.430 -0.667 1.00 44.42 H new ATOM 0 HB2 HIS A 13 -1.055 2.220 1.654 1.00 32.15 H new ATOM 0 HB3 HIS A 13 -1.302 3.877 1.141 1.00 32.15 H new ATOM 0 HD2 HIS A 13 -3.157 5.329 2.640 1.00 41.32 H new ATOM 0 HE1 HIS A 13 -4.079 2.250 5.392 1.00 63.41 H new ATOM 0 HE2 HIS A 13 -4.366 4.710 4.857 1.00 54.12 H new ATOM 199 N LEU A 14 -2.481 0.106 -0.161 1.00 72.53 N ATOM 200 CA LEU A 14 -2.769 -1.301 0.026 1.00 42.22 C ATOM 201 C LEU A 14 -1.615 -1.918 0.815 1.00 72.20 C ATOM 202 O LEU A 14 -0.456 -1.791 0.421 1.00 4.31 O ATOM 203 CB LEU A 14 -2.926 -1.985 -1.351 1.00 40.42 C ATOM 204 CG LEU A 14 -3.600 -3.369 -1.378 1.00 14.04 C ATOM 205 CD1 LEU A 14 -4.008 -3.722 -2.797 1.00 23.31 C ATOM 206 CD2 LEU A 14 -2.675 -4.445 -0.827 1.00 4.04 C ATOM 0 H LEU A 14 -1.730 0.290 -0.826 1.00 72.53 H new ATOM 0 HA LEU A 14 -3.700 -1.438 0.576 1.00 42.22 H new ATOM 0 HB2 LEU A 14 -3.498 -1.318 -1.996 1.00 40.42 H new ATOM 0 HB3 LEU A 14 -1.935 -2.084 -1.794 1.00 40.42 H new ATOM 0 HG LEU A 14 -4.486 -3.323 -0.745 1.00 14.04 H new ATOM 0 HD11 LEU A 14 -4.484 -4.703 -2.806 1.00 23.31 H new ATOM 0 HD12 LEU A 14 -4.709 -2.975 -3.170 1.00 23.31 H new ATOM 0 HD13 LEU A 14 -3.125 -3.742 -3.435 1.00 23.31 H new ATOM 0 HD21 LEU A 14 -3.180 -5.410 -0.860 1.00 4.04 H new ATOM 0 HD22 LEU A 14 -1.768 -4.489 -1.430 1.00 4.04 H new ATOM 0 HD23 LEU A 14 -2.413 -4.207 0.204 1.00 4.04 H new ATOM 218 N LEU A 15 -1.923 -2.554 1.929 1.00 2.54 N ATOM 219 CA LEU A 15 -0.891 -3.145 2.773 1.00 44.22 C ATOM 220 C LEU A 15 -1.089 -4.639 2.941 1.00 22.41 C ATOM 221 O LEU A 15 -2.154 -5.096 3.370 1.00 75.42 O ATOM 222 CB LEU A 15 -0.863 -2.465 4.150 1.00 32.10 C ATOM 223 CG LEU A 15 -0.048 -3.181 5.245 1.00 43.14 C ATOM 224 CD1 LEU A 15 1.423 -3.263 4.873 1.00 1.14 C ATOM 225 CD2 LEU A 15 -0.222 -2.482 6.584 1.00 15.24 C ATOM 0 H LEU A 15 -2.875 -2.677 2.274 1.00 2.54 H new ATOM 0 HA LEU A 15 0.065 -2.985 2.274 1.00 44.22 H new ATOM 0 HB2 LEU A 15 -0.462 -1.459 4.027 1.00 32.10 H new ATOM 0 HB3 LEU A 15 -1.890 -2.359 4.501 1.00 32.10 H new ATOM 0 HG LEU A 15 -0.428 -4.199 5.332 1.00 43.14 H new ATOM 0 HD11 LEU A 15 1.971 -3.773 5.665 1.00 1.14 H new ATOM 0 HD12 LEU A 15 1.532 -3.818 3.941 1.00 1.14 H new ATOM 0 HD13 LEU A 15 1.823 -2.257 4.745 1.00 1.14 H new ATOM 0 HD21 LEU A 15 0.361 -3.002 7.344 1.00 15.24 H new ATOM 0 HD22 LEU A 15 0.123 -1.451 6.504 1.00 15.24 H new ATOM 0 HD23 LEU A 15 -1.275 -2.491 6.865 1.00 15.24 H new ATOM 237 N VAL A 16 -0.065 -5.385 2.598 1.00 34.01 N ATOM 238 CA VAL A 16 -0.064 -6.820 2.775 1.00 40.55 C ATOM 239 C VAL A 16 0.966 -7.187 3.832 1.00 20.44 C ATOM 240 O VAL A 16 2.170 -6.952 3.652 1.00 34.31 O ATOM 241 CB VAL A 16 0.256 -7.563 1.453 1.00 4.33 C ATOM 242 CG1 VAL A 16 0.366 -9.064 1.680 1.00 31.40 C ATOM 243 CG2 VAL A 16 -0.808 -7.267 0.409 1.00 2.55 C ATOM 0 H VAL A 16 0.792 -5.015 2.188 1.00 34.01 H new ATOM 0 HA VAL A 16 -1.061 -7.127 3.092 1.00 40.55 H new ATOM 0 HB VAL A 16 1.218 -7.203 1.089 1.00 4.33 H new ATOM 0 HG11 VAL A 16 0.591 -9.559 0.735 1.00 31.40 H new ATOM 0 HG12 VAL A 16 1.164 -9.266 2.395 1.00 31.40 H new ATOM 0 HG13 VAL A 16 -0.578 -9.443 2.072 1.00 31.40 H new ATOM 0 HG21 VAL A 16 -0.569 -7.796 -0.514 1.00 2.55 H new ATOM 0 HG22 VAL A 16 -1.780 -7.598 0.776 1.00 2.55 H new ATOM 0 HG23 VAL A 16 -0.839 -6.195 0.215 1.00 2.55 H new ATOM 253 N LYS A 17 0.502 -7.730 4.940 1.00 54.42 N ATOM 254 CA LYS A 17 1.395 -8.104 6.011 1.00 21.02 C ATOM 255 C LYS A 17 2.005 -9.472 5.760 1.00 70.43 C ATOM 256 O LYS A 17 1.666 -10.151 4.791 1.00 50.14 O ATOM 257 CB LYS A 17 0.695 -8.061 7.379 1.00 72.25 C ATOM 258 CG LYS A 17 0.424 -6.648 7.892 1.00 74.30 C ATOM 259 CD LYS A 17 0.160 -6.636 9.398 1.00 11.22 C ATOM 260 CE LYS A 17 -1.183 -7.259 9.754 1.00 73.31 C ATOM 261 NZ LYS A 17 -2.322 -6.359 9.425 1.00 20.51 N ATOM 0 H LYS A 17 -0.484 -7.920 5.119 1.00 54.42 H new ATOM 0 HA LYS A 17 2.200 -7.369 6.032 1.00 21.02 H new ATOM 0 HB2 LYS A 17 -0.250 -8.599 7.309 1.00 72.25 H new ATOM 0 HB3 LYS A 17 1.310 -8.590 8.107 1.00 72.25 H new ATOM 0 HG2 LYS A 17 1.278 -6.009 7.667 1.00 74.30 H new ATOM 0 HG3 LYS A 17 -0.435 -6.229 7.368 1.00 74.30 H new ATOM 0 HD2 LYS A 17 0.956 -7.178 9.909 1.00 11.22 H new ATOM 0 HD3 LYS A 17 0.189 -5.609 9.762 1.00 11.22 H new ATOM 0 HE2 LYS A 17 -1.299 -8.201 9.218 1.00 73.31 H new ATOM 0 HE3 LYS A 17 -1.203 -7.494 10.818 1.00 73.31 H new ATOM 0 HZ1 LYS A 17 -3.200 -6.914 9.374 1.00 20.51 H new ATOM 0 HZ2 LYS A 17 -2.415 -5.632 10.163 1.00 20.51 H new ATOM 0 HZ3 LYS A 17 -2.148 -5.900 8.508 1.00 20.51 H new ATOM 275 N HIS A 18 2.911 -9.863 6.628 1.00 51.22 N ATOM 276 CA HIS A 18 3.607 -11.128 6.506 1.00 3.43 C ATOM 277 C HIS A 18 4.026 -11.624 7.874 1.00 55.23 C ATOM 278 O HIS A 18 4.052 -10.851 8.829 1.00 25.11 O ATOM 279 CB HIS A 18 4.826 -11.013 5.554 1.00 74.31 C ATOM 280 CG HIS A 18 5.606 -9.725 5.673 1.00 12.11 C ATOM 281 ND1 HIS A 18 6.692 -9.565 6.502 1.00 53.00 N ATOM 282 CD2 HIS A 18 5.443 -8.532 5.044 1.00 64.22 C ATOM 283 CE1 HIS A 18 7.158 -8.335 6.382 1.00 42.15 C ATOM 284 NE2 HIS A 18 6.421 -7.689 5.505 1.00 22.42 N ATOM 0 H HIS A 18 3.188 -9.313 7.441 1.00 51.22 H new ATOM 0 HA HIS A 18 2.924 -11.855 6.067 1.00 3.43 H new ATOM 0 HB2 HIS A 18 5.500 -11.848 5.747 1.00 74.31 H new ATOM 0 HB3 HIS A 18 4.477 -11.116 4.526 1.00 74.31 H new ATOM 0 HD1 HIS A 18 7.077 -10.284 7.114 1.00 53.00 H new ATOM 0 HD2 HIS A 18 4.683 -8.292 4.315 1.00 64.22 H new ATOM 0 HE1 HIS A 18 8.004 -7.927 6.916 1.00 42.15 H new ATOM 293 N SER A 19 4.338 -12.903 7.963 1.00 23.41 N ATOM 294 CA SER A 19 4.736 -13.528 9.218 1.00 43.15 C ATOM 295 C SER A 19 5.935 -12.811 9.834 1.00 65.03 C ATOM 296 O SER A 19 5.920 -12.432 11.007 1.00 74.01 O ATOM 297 CB SER A 19 5.073 -14.993 8.965 1.00 45.21 C ATOM 298 OG SER A 19 5.958 -15.116 7.858 1.00 32.35 O ATOM 0 H SER A 19 4.324 -13.542 7.168 1.00 23.41 H new ATOM 0 HA SER A 19 3.907 -13.457 9.923 1.00 43.15 H new ATOM 0 HB2 SER A 19 5.531 -15.426 9.854 1.00 45.21 H new ATOM 0 HB3 SER A 19 4.159 -15.555 8.772 1.00 45.21 H new ATOM 0 HG SER A 19 6.166 -16.062 7.709 1.00 32.35 H new ATOM 304 N GLN A 20 6.953 -12.600 9.023 1.00 5.32 N ATOM 305 CA GLN A 20 8.176 -11.947 9.457 1.00 2.43 C ATOM 306 C GLN A 20 8.018 -10.419 9.500 1.00 42.32 C ATOM 307 O GLN A 20 8.917 -9.681 9.114 1.00 74.01 O ATOM 308 CB GLN A 20 9.319 -12.333 8.521 1.00 54.13 C ATOM 309 CG GLN A 20 9.578 -13.831 8.445 1.00 54.13 C ATOM 310 CD GLN A 20 10.021 -14.419 9.774 1.00 52.14 C ATOM 311 OE1 GLN A 20 10.664 -13.748 10.583 1.00 62.43 O ATOM 312 NE2 GLN A 20 9.683 -15.669 10.005 1.00 24.21 N ATOM 0 H GLN A 20 6.957 -12.877 8.041 1.00 5.32 H new ATOM 0 HA GLN A 20 8.401 -12.282 10.470 1.00 2.43 H new ATOM 0 HB2 GLN A 20 9.097 -11.962 7.521 1.00 54.13 H new ATOM 0 HB3 GLN A 20 10.230 -11.833 8.851 1.00 54.13 H new ATOM 0 HG2 GLN A 20 8.671 -14.336 8.114 1.00 54.13 H new ATOM 0 HG3 GLN A 20 10.343 -14.025 7.694 1.00 54.13 H new ATOM 0 HE21 GLN A 20 9.150 -16.190 9.309 1.00 24.21 H new ATOM 0 HE22 GLN A 20 9.954 -16.117 10.880 1.00 24.21 H new ATOM 321 N SER A 21 6.872 -9.957 9.962 1.00 11.33 N ATOM 322 CA SER A 21 6.625 -8.537 10.099 1.00 63.33 C ATOM 323 C SER A 21 6.681 -8.156 11.575 1.00 13.23 C ATOM 324 O SER A 21 7.029 -8.984 12.425 1.00 63.45 O ATOM 325 CB SER A 21 5.256 -8.162 9.489 1.00 72.00 C ATOM 326 OG SER A 21 5.025 -6.755 9.542 1.00 42.55 O ATOM 0 H SER A 21 6.094 -10.550 10.250 1.00 11.33 H new ATOM 0 HA SER A 21 7.393 -7.984 9.558 1.00 63.33 H new ATOM 0 HB2 SER A 21 5.214 -8.499 8.453 1.00 72.00 H new ATOM 0 HB3 SER A 21 4.463 -8.682 10.026 1.00 72.00 H new ATOM 0 HG SER A 21 4.742 -6.437 8.660 1.00 42.55 H new ATOM 332 N ARG A 22 6.342 -6.919 11.876 1.00 75.41 N ATOM 333 CA ARG A 22 6.347 -6.428 13.244 1.00 45.44 C ATOM 334 C ARG A 22 5.178 -7.035 14.013 1.00 4.02 C ATOM 335 O ARG A 22 5.203 -7.136 15.243 1.00 53.32 O ATOM 336 CB ARG A 22 6.264 -4.901 13.252 1.00 21.21 C ATOM 337 CG ARG A 22 7.247 -4.244 12.295 1.00 23.41 C ATOM 338 CD ARG A 22 7.204 -2.730 12.384 1.00 3.24 C ATOM 339 NE ARG A 22 7.788 -2.236 13.628 1.00 3.44 N ATOM 340 CZ ARG A 22 8.940 -1.563 13.702 1.00 32.43 C ATOM 341 NH1 ARG A 22 9.668 -1.356 12.606 1.00 23.32 N ATOM 342 NH2 ARG A 22 9.377 -1.125 14.872 1.00 13.14 N ATOM 0 H ARG A 22 6.056 -6.226 11.184 1.00 75.41 H new ATOM 0 HA ARG A 22 7.276 -6.724 13.731 1.00 45.44 H new ATOM 0 HB2 ARG A 22 5.251 -4.597 12.988 1.00 21.21 H new ATOM 0 HB3 ARG A 22 6.453 -4.538 14.262 1.00 21.21 H new ATOM 0 HG2 ARG A 22 8.256 -4.591 12.517 1.00 23.41 H new ATOM 0 HG3 ARG A 22 7.021 -4.553 11.275 1.00 23.41 H new ATOM 0 HD2 ARG A 22 7.741 -2.302 11.537 1.00 3.24 H new ATOM 0 HD3 ARG A 22 6.170 -2.392 12.310 1.00 3.24 H new ATOM 0 HE ARG A 22 7.284 -2.416 14.496 1.00 3.44 H new ATOM 0 HH11 ARG A 22 9.347 -1.712 11.706 1.00 23.32 H new ATOM 0 HH12 ARG A 22 10.547 -0.842 12.667 1.00 23.32 H new ATOM 0 HH21 ARG A 22 8.834 -1.301 15.718 1.00 13.14 H new ATOM 0 HH22 ARG A 22 10.256 -0.611 14.928 1.00 13.14 H new ATOM 356 N ARG A 23 4.157 -7.437 13.270 1.00 54.51 N ATOM 357 CA ARG A 23 2.991 -8.088 13.834 1.00 11.12 C ATOM 358 C ARG A 23 2.436 -9.115 12.848 1.00 63.12 C ATOM 359 O ARG A 23 1.970 -8.756 11.768 1.00 65.24 O ATOM 360 CB ARG A 23 1.906 -7.063 14.187 1.00 3.55 C ATOM 361 CG ARG A 23 0.674 -7.684 14.839 1.00 12.20 C ATOM 362 CD ARG A 23 -0.340 -6.633 15.252 1.00 61.35 C ATOM 363 NE ARG A 23 0.207 -5.707 16.241 1.00 12.11 N ATOM 364 CZ ARG A 23 -0.507 -5.126 17.210 1.00 51.11 C ATOM 365 NH1 ARG A 23 -1.800 -5.412 17.358 1.00 63.52 N ATOM 366 NH2 ARG A 23 0.080 -4.271 18.039 1.00 34.13 N ATOM 0 H ARG A 23 4.117 -7.319 12.258 1.00 54.51 H new ATOM 0 HA ARG A 23 3.294 -8.595 14.750 1.00 11.12 H new ATOM 0 HB2 ARG A 23 2.327 -6.317 14.861 1.00 3.55 H new ATOM 0 HB3 ARG A 23 1.603 -6.539 13.280 1.00 3.55 H new ATOM 0 HG2 ARG A 23 0.209 -8.383 14.144 1.00 12.20 H new ATOM 0 HG3 ARG A 23 0.977 -8.259 15.714 1.00 12.20 H new ATOM 0 HD2 ARG A 23 -0.664 -6.076 14.373 1.00 61.35 H new ATOM 0 HD3 ARG A 23 -1.223 -7.122 15.662 1.00 61.35 H new ATOM 0 HE ARG A 23 1.202 -5.489 16.188 1.00 12.11 H new ATOM 0 HH11 ARG A 23 -2.250 -6.078 16.730 1.00 63.52 H new ATOM 0 HH12 ARG A 23 -2.340 -4.965 18.099 1.00 63.52 H new ATOM 0 HH21 ARG A 23 1.072 -4.060 17.935 1.00 34.13 H new ATOM 0 HH22 ARG A 23 -0.461 -3.826 18.780 1.00 34.13 H new ATOM 380 N PRO A 24 2.498 -10.407 13.204 1.00 31.45 N ATOM 381 CA PRO A 24 1.983 -11.487 12.366 1.00 4.41 C ATOM 382 C PRO A 24 0.496 -11.744 12.627 1.00 11.01 C ATOM 383 O PRO A 24 -0.026 -12.824 12.342 1.00 42.12 O ATOM 384 CB PRO A 24 2.815 -12.678 12.818 1.00 62.35 C ATOM 385 CG PRO A 24 3.062 -12.428 14.270 1.00 51.34 C ATOM 386 CD PRO A 24 3.098 -10.926 14.452 1.00 62.21 C ATOM 0 HA PRO A 24 2.056 -11.271 11.300 1.00 4.41 H new ATOM 0 HB2 PRO A 24 2.284 -13.617 12.661 1.00 62.35 H new ATOM 0 HB3 PRO A 24 3.750 -12.744 12.261 1.00 62.35 H new ATOM 0 HG2 PRO A 24 2.275 -12.873 14.879 1.00 51.34 H new ATOM 0 HG3 PRO A 24 4.003 -12.879 14.586 1.00 51.34 H new ATOM 0 HD2 PRO A 24 2.530 -10.615 15.329 1.00 62.21 H new ATOM 0 HD3 PRO A 24 4.117 -10.563 14.587 1.00 62.21 H new ATOM 394 N SER A 25 -0.171 -10.746 13.164 1.00 4.32 N ATOM 395 CA SER A 25 -1.579 -10.833 13.479 1.00 62.10 C ATOM 396 C SER A 25 -2.326 -9.677 12.832 1.00 24.22 C ATOM 397 O SER A 25 -1.773 -8.589 12.663 1.00 33.33 O ATOM 398 CB SER A 25 -1.772 -10.796 14.995 1.00 61.23 C ATOM 399 OG SER A 25 -0.951 -11.764 15.631 1.00 61.32 O ATOM 0 H SER A 25 0.251 -9.847 13.395 1.00 4.32 H new ATOM 0 HA SER A 25 -1.975 -11.772 13.092 1.00 62.10 H new ATOM 0 HB2 SER A 25 -1.530 -9.803 15.373 1.00 61.23 H new ATOM 0 HB3 SER A 25 -2.818 -10.984 15.238 1.00 61.23 H new ATOM 0 HG SER A 25 -1.088 -11.723 16.600 1.00 61.32 H new ATOM 405 N SER A 26 -3.565 -9.914 12.458 1.00 42.22 N ATOM 406 CA SER A 26 -4.379 -8.894 11.840 1.00 44.32 C ATOM 407 C SER A 26 -5.838 -9.083 12.239 1.00 11.23 C ATOM 408 O SER A 26 -6.165 -10.001 12.996 1.00 40.14 O ATOM 409 CB SER A 26 -4.229 -8.958 10.317 1.00 15.24 C ATOM 410 OG SER A 26 -4.714 -7.770 9.702 1.00 44.24 O ATOM 0 H SER A 26 -4.032 -10.813 12.573 1.00 42.22 H new ATOM 0 HA SER A 26 -4.047 -7.914 12.182 1.00 44.32 H new ATOM 0 HB2 SER A 26 -3.180 -9.103 10.058 1.00 15.24 H new ATOM 0 HB3 SER A 26 -4.774 -9.819 9.931 1.00 15.24 H new ATOM 0 HG SER A 26 -5.614 -7.928 9.349 1.00 44.24 H new ATOM 415 N TRP A 27 -6.708 -8.224 11.733 1.00 74.22 N ATOM 416 CA TRP A 27 -8.126 -8.302 12.048 1.00 60.23 C ATOM 417 C TRP A 27 -8.826 -9.295 11.126 1.00 3.53 C ATOM 418 O TRP A 27 -9.734 -10.016 11.541 1.00 31.51 O ATOM 419 CB TRP A 27 -8.788 -6.911 11.956 1.00 61.13 C ATOM 420 CG TRP A 27 -8.727 -6.278 10.590 1.00 72.00 C ATOM 421 CD1 TRP A 27 -7.681 -5.586 10.052 1.00 71.22 C ATOM 422 CD2 TRP A 27 -9.763 -6.274 9.596 1.00 20.45 C ATOM 423 NE1 TRP A 27 -8.001 -5.162 8.786 1.00 3.11 N ATOM 424 CE2 TRP A 27 -9.270 -5.569 8.484 1.00 54.23 C ATOM 425 CE3 TRP A 27 -11.054 -6.800 9.538 1.00 65.41 C ATOM 426 CZ2 TRP A 27 -10.022 -5.375 7.329 1.00 4.31 C ATOM 427 CZ3 TRP A 27 -11.801 -6.607 8.392 1.00 40.14 C ATOM 428 CH2 TRP A 27 -11.282 -5.900 7.301 1.00 24.14 C ATOM 0 H TRP A 27 -6.457 -7.463 11.101 1.00 74.22 H new ATOM 0 HA TRP A 27 -8.227 -8.656 13.074 1.00 60.23 H new ATOM 0 HB2 TRP A 27 -9.832 -6.999 12.255 1.00 61.13 H new ATOM 0 HB3 TRP A 27 -8.307 -6.246 12.673 1.00 61.13 H new ATOM 0 HD1 TRP A 27 -6.740 -5.399 10.549 1.00 71.22 H new ATOM 0 HE1 TRP A 27 -7.389 -4.628 8.169 1.00 3.11 H new ATOM 0 HE3 TRP A 27 -11.462 -7.348 10.374 1.00 65.41 H new ATOM 0 HZ2 TRP A 27 -9.624 -4.829 6.486 1.00 4.31 H new ATOM 0 HZ3 TRP A 27 -12.802 -7.008 8.337 1.00 40.14 H new ATOM 0 HH2 TRP A 27 -11.891 -5.767 6.419 1.00 24.14 H new ATOM 439 N ARG A 28 -8.381 -9.341 9.880 1.00 65.14 N ATOM 440 CA ARG A 28 -8.962 -10.235 8.888 1.00 73.24 C ATOM 441 C ARG A 28 -8.404 -11.642 9.037 1.00 40.23 C ATOM 442 O ARG A 28 -9.017 -12.617 8.606 1.00 71.54 O ATOM 443 CB ARG A 28 -8.687 -9.716 7.476 1.00 20.15 C ATOM 444 CG ARG A 28 -7.207 -9.610 7.140 1.00 23.30 C ATOM 445 CD ARG A 28 -6.990 -9.283 5.678 1.00 63.11 C ATOM 446 NE ARG A 28 -7.557 -10.306 4.799 1.00 11.52 N ATOM 447 CZ ARG A 28 -6.905 -10.873 3.784 1.00 15.43 C ATOM 448 NH1 ARG A 28 -5.621 -10.588 3.560 1.00 54.21 N ATOM 449 NH2 ARG A 28 -7.534 -11.755 3.012 1.00 23.14 N ATOM 0 H ARG A 28 -7.615 -8.766 9.529 1.00 65.14 H new ATOM 0 HA ARG A 28 -10.039 -10.267 9.052 1.00 73.24 H new ATOM 0 HB2 ARG A 28 -9.167 -10.378 6.755 1.00 20.15 H new ATOM 0 HB3 ARG A 28 -9.147 -8.734 7.363 1.00 20.15 H new ATOM 0 HG2 ARG A 28 -6.747 -8.839 7.758 1.00 23.30 H new ATOM 0 HG3 ARG A 28 -6.710 -10.550 7.381 1.00 23.30 H new ATOM 0 HD2 ARG A 28 -7.443 -8.318 5.451 1.00 63.11 H new ATOM 0 HD3 ARG A 28 -5.922 -9.188 5.482 1.00 63.11 H new ATOM 0 HE ARG A 28 -8.516 -10.606 4.975 1.00 11.52 H new ATOM 0 HH11 ARG A 28 -5.131 -9.932 4.168 1.00 54.21 H new ATOM 0 HH12 ARG A 28 -5.130 -11.026 2.781 1.00 54.21 H new ATOM 0 HH21 ARG A 28 -8.508 -11.993 3.199 1.00 23.14 H new ATOM 0 HH22 ARG A 28 -7.042 -12.193 2.233 1.00 23.14 H new ATOM 463 N GLN A 29 -7.244 -11.739 9.660 1.00 10.13 N ATOM 464 CA GLN A 29 -6.576 -13.010 9.842 1.00 51.11 C ATOM 465 C GLN A 29 -5.719 -12.958 11.101 1.00 0.14 C ATOM 466 O GLN A 29 -4.838 -12.106 11.223 1.00 1.11 O ATOM 467 CB GLN A 29 -5.722 -13.315 8.608 1.00 75.44 C ATOM 468 CG GLN A 29 -5.127 -14.708 8.576 1.00 22.30 C ATOM 469 CD GLN A 29 -4.452 -15.009 7.252 1.00 71.11 C ATOM 470 OE1 GLN A 29 -4.854 -14.503 6.200 1.00 51.24 O ATOM 471 NE2 GLN A 29 -3.429 -15.827 7.289 1.00 51.54 N ATOM 0 H GLN A 29 -6.742 -10.942 10.052 1.00 10.13 H new ATOM 0 HA GLN A 29 -7.311 -13.806 9.960 1.00 51.11 H new ATOM 0 HB2 GLN A 29 -6.334 -13.176 7.717 1.00 75.44 H new ATOM 0 HB3 GLN A 29 -4.912 -12.588 8.555 1.00 75.44 H new ATOM 0 HG2 GLN A 29 -4.402 -14.811 9.384 1.00 22.30 H new ATOM 0 HG3 GLN A 29 -5.913 -15.442 8.757 1.00 22.30 H new ATOM 0 HE21 GLN A 29 -3.126 -16.225 8.178 1.00 51.54 H new ATOM 0 HE22 GLN A 29 -2.935 -16.066 6.429 1.00 51.54 H new ATOM 480 N GLU A 30 -5.987 -13.860 12.030 1.00 65.22 N ATOM 481 CA GLU A 30 -5.292 -13.885 13.315 1.00 11.35 C ATOM 482 C GLU A 30 -3.818 -14.220 13.141 1.00 1.23 C ATOM 483 O GLU A 30 -2.956 -13.623 13.785 1.00 23.33 O ATOM 484 CB GLU A 30 -5.936 -14.909 14.244 1.00 72.14 C ATOM 485 CG GLU A 30 -7.437 -14.755 14.398 1.00 62.01 C ATOM 486 CD GLU A 30 -8.036 -15.826 15.279 1.00 72.24 C ATOM 487 OE1 GLU A 30 -8.151 -16.986 14.823 1.00 4.43 O ATOM 488 OE2 GLU A 30 -8.398 -15.515 16.436 1.00 74.41 O ATOM 0 H GLU A 30 -6.687 -14.593 11.920 1.00 65.22 H new ATOM 0 HA GLU A 30 -5.373 -12.890 13.753 1.00 11.35 H new ATOM 0 HB2 GLU A 30 -5.722 -15.909 13.867 1.00 72.14 H new ATOM 0 HB3 GLU A 30 -5.472 -14.833 15.227 1.00 72.14 H new ATOM 0 HG2 GLU A 30 -7.658 -13.775 14.820 1.00 62.01 H new ATOM 0 HG3 GLU A 30 -7.906 -14.792 13.415 1.00 62.01 H new ATOM 495 N LYS A 31 -3.532 -15.170 12.279 1.00 35.33 N ATOM 496 CA LYS A 31 -2.164 -15.594 12.056 1.00 45.20 C ATOM 497 C LYS A 31 -1.767 -15.453 10.593 1.00 21.21 C ATOM 498 O LYS A 31 -2.249 -16.185 9.729 1.00 4.13 O ATOM 499 CB LYS A 31 -1.964 -17.041 12.537 1.00 21.01 C ATOM 500 CG LYS A 31 -2.930 -18.039 11.917 1.00 60.13 C ATOM 501 CD LYS A 31 -2.667 -19.450 12.401 1.00 72.53 C ATOM 502 CE LYS A 31 -3.585 -20.445 11.714 1.00 43.32 C ATOM 503 NZ LYS A 31 -3.360 -20.491 10.246 1.00 42.35 N ATOM 0 H LYS A 31 -4.227 -15.665 11.720 1.00 35.33 H new ATOM 0 HA LYS A 31 -1.514 -14.940 12.637 1.00 45.20 H new ATOM 0 HB2 LYS A 31 -0.944 -17.350 12.311 1.00 21.01 H new ATOM 0 HB3 LYS A 31 -2.073 -17.071 13.621 1.00 21.01 H new ATOM 0 HG2 LYS A 31 -3.953 -17.755 12.162 1.00 60.13 H new ATOM 0 HG3 LYS A 31 -2.841 -18.005 10.831 1.00 60.13 H new ATOM 0 HD2 LYS A 31 -1.628 -19.716 12.208 1.00 72.53 H new ATOM 0 HD3 LYS A 31 -2.813 -19.501 13.480 1.00 72.53 H new ATOM 0 HE2 LYS A 31 -3.425 -21.437 12.136 1.00 43.32 H new ATOM 0 HE3 LYS A 31 -4.623 -20.178 11.913 1.00 43.32 H new ATOM 0 HZ1 LYS A 31 -3.795 -21.351 9.855 1.00 42.35 H new ATOM 0 HZ2 LYS A 31 -3.788 -19.653 9.803 1.00 42.35 H new ATOM 0 HZ3 LYS A 31 -2.338 -20.501 10.052 1.00 42.35 H new ATOM 517 N ILE A 32 -0.907 -14.497 10.315 1.00 11.34 N ATOM 518 CA ILE A 32 -0.409 -14.300 8.970 1.00 13.44 C ATOM 519 C ILE A 32 0.678 -15.330 8.695 1.00 11.24 C ATOM 520 O ILE A 32 1.791 -15.230 9.217 1.00 32.32 O ATOM 521 CB ILE A 32 0.156 -12.873 8.767 1.00 4.13 C ATOM 522 CG1 ILE A 32 -0.890 -11.810 9.150 1.00 42.44 C ATOM 523 CG2 ILE A 32 0.601 -12.682 7.326 1.00 14.20 C ATOM 524 CD1 ILE A 32 -2.158 -11.857 8.319 1.00 24.43 C ATOM 0 H ILE A 32 -0.537 -13.842 11.004 1.00 11.34 H new ATOM 0 HA ILE A 32 -1.238 -14.423 8.273 1.00 13.44 H new ATOM 0 HB ILE A 32 1.020 -12.751 9.420 1.00 4.13 H new ATOM 0 HG12 ILE A 32 -1.153 -11.937 10.200 1.00 42.44 H new ATOM 0 HG13 ILE A 32 -0.440 -10.822 9.051 1.00 42.44 H new ATOM 0 HG21 ILE A 32 0.996 -11.674 7.198 1.00 14.20 H new ATOM 0 HG22 ILE A 32 1.377 -13.409 7.085 1.00 14.20 H new ATOM 0 HG23 ILE A 32 -0.250 -12.826 6.660 1.00 14.20 H new ATOM 0 HD11 ILE A 32 -2.841 -11.076 8.653 1.00 24.43 H new ATOM 0 HD12 ILE A 32 -1.911 -11.698 7.269 1.00 24.43 H new ATOM 0 HD13 ILE A 32 -2.634 -12.830 8.437 1.00 24.43 H new ATOM 536 N THR A 33 0.346 -16.324 7.898 1.00 24.34 N ATOM 537 CA THR A 33 1.253 -17.419 7.622 1.00 21.24 C ATOM 538 C THR A 33 2.172 -17.123 6.445 1.00 54.31 C ATOM 539 O THR A 33 3.241 -17.729 6.314 1.00 41.11 O ATOM 540 CB THR A 33 0.467 -18.714 7.338 1.00 11.41 C ATOM 541 OG1 THR A 33 -0.465 -18.490 6.265 1.00 30.32 O ATOM 542 CG2 THR A 33 -0.294 -19.163 8.574 1.00 43.44 C ATOM 0 H THR A 33 -0.555 -16.396 7.425 1.00 24.34 H new ATOM 0 HA THR A 33 1.870 -17.547 8.511 1.00 21.24 H new ATOM 0 HB THR A 33 1.177 -19.492 7.058 1.00 11.41 H new ATOM 0 HG1 THR A 33 -0.962 -19.315 6.086 1.00 30.32 H new ATOM 0 HG21 THR A 33 -0.842 -20.079 8.351 1.00 43.44 H new ATOM 0 HG22 THR A 33 0.409 -19.349 9.386 1.00 43.44 H new ATOM 0 HG23 THR A 33 -0.996 -18.384 8.872 1.00 43.44 H new ATOM 550 N ARG A 34 1.761 -16.199 5.590 1.00 71.12 N ATOM 551 CA ARG A 34 2.530 -15.865 4.402 1.00 75.21 C ATOM 552 C ARG A 34 3.867 -15.212 4.775 1.00 45.10 C ATOM 553 O ARG A 34 3.921 -14.298 5.606 1.00 52.34 O ATOM 554 CB ARG A 34 1.717 -14.959 3.464 1.00 55.42 C ATOM 555 CG ARG A 34 1.593 -13.523 3.934 1.00 44.33 C ATOM 556 CD ARG A 34 0.579 -12.750 3.119 1.00 65.13 C ATOM 557 NE ARG A 34 -0.791 -12.942 3.613 1.00 4.31 N ATOM 558 CZ ARG A 34 -1.551 -11.947 4.091 1.00 70.54 C ATOM 559 NH1 ARG A 34 -1.055 -10.726 4.181 1.00 10.10 N ATOM 560 NH2 ARG A 34 -2.795 -12.180 4.496 1.00 41.31 N ATOM 0 H ARG A 34 0.898 -15.667 5.697 1.00 71.12 H new ATOM 0 HA ARG A 34 2.750 -16.791 3.871 1.00 75.21 H new ATOM 0 HB2 ARG A 34 2.181 -14.967 2.478 1.00 55.42 H new ATOM 0 HB3 ARG A 34 0.718 -15.379 3.349 1.00 55.42 H new ATOM 0 HG2 ARG A 34 1.302 -13.508 4.984 1.00 44.33 H new ATOM 0 HG3 ARG A 34 2.564 -13.033 3.865 1.00 44.33 H new ATOM 0 HD2 ARG A 34 0.827 -11.689 3.144 1.00 65.13 H new ATOM 0 HD3 ARG A 34 0.636 -13.066 2.077 1.00 65.13 H new ATOM 0 HE ARG A 34 -1.185 -13.883 3.591 1.00 4.31 H new ATOM 0 HH11 ARG A 34 -0.096 -10.542 3.887 1.00 10.10 H new ATOM 0 HH12 ARG A 34 -1.631 -9.967 4.544 1.00 10.10 H new ATOM 0 HH21 ARG A 34 -3.180 -13.123 4.445 1.00 41.31 H new ATOM 0 HH22 ARG A 34 -3.365 -11.416 4.858 1.00 41.31 H new ATOM 574 N THR A 35 4.932 -15.698 4.174 1.00 35.20 N ATOM 575 CA THR A 35 6.260 -15.174 4.429 1.00 45.03 C ATOM 576 C THR A 35 6.547 -13.976 3.505 1.00 32.03 C ATOM 577 O THR A 35 5.696 -13.588 2.695 1.00 74.43 O ATOM 578 CB THR A 35 7.343 -16.283 4.253 1.00 23.14 C ATOM 579 OG1 THR A 35 8.653 -15.777 4.582 1.00 73.04 O ATOM 580 CG2 THR A 35 7.343 -16.824 2.830 1.00 23.00 C ATOM 0 H THR A 35 4.904 -16.462 3.499 1.00 35.20 H new ATOM 0 HA THR A 35 6.301 -14.832 5.463 1.00 45.03 H new ATOM 0 HB THR A 35 7.097 -17.096 4.936 1.00 23.14 H new ATOM 0 HG1 THR A 35 9.113 -15.502 3.762 1.00 73.04 H new ATOM 0 HG21 THR A 35 8.107 -17.596 2.734 1.00 23.00 H new ATOM 0 HG22 THR A 35 6.366 -17.251 2.603 1.00 23.00 H new ATOM 0 HG23 THR A 35 7.556 -16.014 2.133 1.00 23.00 H new ATOM 588 N LYS A 36 7.734 -13.399 3.628 1.00 60.22 N ATOM 589 CA LYS A 36 8.112 -12.234 2.833 1.00 42.41 C ATOM 590 C LYS A 36 8.132 -12.571 1.345 1.00 4.23 C ATOM 591 O LYS A 36 7.641 -11.802 0.521 1.00 15.12 O ATOM 592 CB LYS A 36 9.481 -11.709 3.271 1.00 1.41 C ATOM 593 CG LYS A 36 9.882 -10.405 2.598 1.00 60.05 C ATOM 594 CD LYS A 36 11.253 -9.938 3.055 1.00 72.50 C ATOM 595 CE LYS A 36 11.648 -8.637 2.377 1.00 42.45 C ATOM 596 NZ LYS A 36 12.996 -8.182 2.791 1.00 54.31 N ATOM 0 H LYS A 36 8.456 -13.719 4.273 1.00 60.22 H new ATOM 0 HA LYS A 36 7.366 -11.457 2.999 1.00 42.41 H new ATOM 0 HB2 LYS A 36 9.475 -11.563 4.351 1.00 1.41 H new ATOM 0 HB3 LYS A 36 10.236 -12.465 3.056 1.00 1.41 H new ATOM 0 HG2 LYS A 36 9.885 -10.539 1.516 1.00 60.05 H new ATOM 0 HG3 LYS A 36 9.142 -9.637 2.822 1.00 60.05 H new ATOM 0 HD2 LYS A 36 11.251 -9.801 4.136 1.00 72.50 H new ATOM 0 HD3 LYS A 36 11.994 -10.706 2.832 1.00 72.50 H new ATOM 0 HE2 LYS A 36 11.627 -8.771 1.295 1.00 42.45 H new ATOM 0 HE3 LYS A 36 10.916 -7.866 2.617 1.00 42.45 H new ATOM 0 HZ1 LYS A 36 13.226 -7.292 2.305 1.00 54.31 H new ATOM 0 HZ2 LYS A 36 13.010 -8.029 3.820 1.00 54.31 H new ATOM 0 HZ3 LYS A 36 13.699 -8.906 2.539 1.00 54.31 H new ATOM 610 N GLU A 37 8.691 -13.731 1.017 1.00 14.34 N ATOM 611 CA GLU A 37 8.784 -14.195 -0.367 1.00 45.31 C ATOM 612 C GLU A 37 7.408 -14.206 -1.031 1.00 51.43 C ATOM 613 O GLU A 37 7.262 -13.829 -2.197 1.00 30.05 O ATOM 614 CB GLU A 37 9.395 -15.609 -0.436 1.00 15.52 C ATOM 615 CG GLU A 37 10.713 -15.780 0.319 1.00 45.44 C ATOM 616 CD GLU A 37 10.515 -16.059 1.799 1.00 41.12 C ATOM 617 OE1 GLU A 37 10.321 -15.101 2.571 1.00 74.34 O ATOM 618 OE2 GLU A 37 10.541 -17.239 2.196 1.00 40.00 O ATOM 0 H GLU A 37 9.092 -14.376 1.698 1.00 14.34 H new ATOM 0 HA GLU A 37 9.433 -13.501 -0.901 1.00 45.31 H new ATOM 0 HB2 GLU A 37 8.671 -16.321 -0.039 1.00 15.52 H new ATOM 0 HB3 GLU A 37 9.557 -15.868 -1.482 1.00 15.52 H new ATOM 0 HG2 GLU A 37 11.278 -16.598 -0.127 1.00 45.44 H new ATOM 0 HG3 GLU A 37 11.313 -14.877 0.202 1.00 45.44 H new ATOM 625 N GLU A 38 6.405 -14.626 -0.273 1.00 50.50 N ATOM 626 CA GLU A 38 5.041 -14.697 -0.770 1.00 55.31 C ATOM 627 C GLU A 38 4.436 -13.304 -0.884 1.00 54.03 C ATOM 628 O GLU A 38 3.684 -13.018 -1.816 1.00 72.11 O ATOM 629 CB GLU A 38 4.191 -15.570 0.150 1.00 14.30 C ATOM 630 CG GLU A 38 4.700 -16.995 0.272 1.00 64.12 C ATOM 631 CD GLU A 38 3.905 -17.813 1.257 1.00 73.44 C ATOM 632 OE1 GLU A 38 4.211 -17.756 2.463 1.00 23.55 O ATOM 633 OE2 GLU A 38 2.966 -18.518 0.835 1.00 34.24 O ATOM 0 H GLU A 38 6.514 -14.925 0.696 1.00 50.50 H new ATOM 0 HA GLU A 38 5.059 -15.145 -1.764 1.00 55.31 H new ATOM 0 HB2 GLU A 38 4.160 -15.117 1.141 1.00 14.30 H new ATOM 0 HB3 GLU A 38 3.167 -15.589 -0.224 1.00 14.30 H new ATOM 0 HG2 GLU A 38 4.663 -17.475 -0.706 1.00 64.12 H new ATOM 0 HG3 GLU A 38 5.746 -16.978 0.580 1.00 64.12 H new ATOM 640 N ALA A 39 4.783 -12.435 0.064 1.00 2.23 N ATOM 641 CA ALA A 39 4.292 -11.064 0.071 1.00 31.15 C ATOM 642 C ALA A 39 4.715 -10.332 -1.197 1.00 14.55 C ATOM 643 O ALA A 39 3.919 -9.610 -1.796 1.00 34.14 O ATOM 644 CB ALA A 39 4.787 -10.326 1.308 1.00 11.24 C ATOM 0 H ALA A 39 5.406 -12.661 0.840 1.00 2.23 H new ATOM 0 HA ALA A 39 3.203 -11.091 0.100 1.00 31.15 H new ATOM 0 HB1 ALA A 39 4.410 -9.303 1.296 1.00 11.24 H new ATOM 0 HB2 ALA A 39 4.428 -10.835 2.203 1.00 11.24 H new ATOM 0 HB3 ALA A 39 5.877 -10.311 1.311 1.00 11.24 H new ATOM 650 N LEU A 40 5.967 -10.534 -1.608 1.00 72.11 N ATOM 651 CA LEU A 40 6.479 -9.921 -2.833 1.00 52.54 C ATOM 652 C LEU A 40 5.668 -10.364 -4.042 1.00 3.33 C ATOM 653 O LEU A 40 5.330 -9.552 -4.911 1.00 53.53 O ATOM 654 CB LEU A 40 7.963 -10.263 -3.051 1.00 4.50 C ATOM 655 CG LEU A 40 8.993 -9.310 -2.421 1.00 30.24 C ATOM 656 CD1 LEU A 40 8.832 -7.898 -2.968 1.00 55.32 C ATOM 657 CD2 LEU A 40 8.891 -9.312 -0.906 1.00 43.52 C ATOM 0 H LEU A 40 6.643 -11.115 -1.112 1.00 72.11 H new ATOM 0 HA LEU A 40 6.385 -8.841 -2.719 1.00 52.54 H new ATOM 0 HB2 LEU A 40 8.142 -11.264 -2.659 1.00 4.50 H new ATOM 0 HB3 LEU A 40 8.149 -10.303 -4.124 1.00 4.50 H new ATOM 0 HG LEU A 40 9.986 -9.671 -2.691 1.00 30.24 H new ATOM 0 HD11 LEU A 40 9.571 -7.243 -2.507 1.00 55.32 H new ATOM 0 HD12 LEU A 40 8.978 -7.907 -4.048 1.00 55.32 H new ATOM 0 HD13 LEU A 40 7.831 -7.532 -2.741 1.00 55.32 H new ATOM 0 HD21 LEU A 40 9.632 -8.629 -0.491 1.00 43.52 H new ATOM 0 HD22 LEU A 40 7.893 -8.990 -0.608 1.00 43.52 H new ATOM 0 HD23 LEU A 40 9.075 -10.319 -0.530 1.00 43.52 H new ATOM 669 N GLU A 41 5.340 -11.649 -4.084 1.00 15.31 N ATOM 670 CA GLU A 41 4.571 -12.208 -5.185 1.00 30.03 C ATOM 671 C GLU A 41 3.162 -11.631 -5.214 1.00 31.41 C ATOM 672 O GLU A 41 2.637 -11.297 -6.279 1.00 20.13 O ATOM 673 CB GLU A 41 4.513 -13.733 -5.090 1.00 15.34 C ATOM 674 CG GLU A 41 5.872 -14.408 -5.179 1.00 20.10 C ATOM 675 CD GLU A 41 6.659 -13.967 -6.396 1.00 1.31 C ATOM 676 OE1 GLU A 41 6.182 -14.182 -7.532 1.00 11.34 O ATOM 677 OE2 GLU A 41 7.766 -13.404 -6.224 1.00 1.24 O ATOM 0 H GLU A 41 5.596 -12.325 -3.364 1.00 15.31 H new ATOM 0 HA GLU A 41 5.075 -11.936 -6.113 1.00 30.03 H new ATOM 0 HB2 GLU A 41 4.041 -14.011 -4.147 1.00 15.34 H new ATOM 0 HB3 GLU A 41 3.876 -14.113 -5.889 1.00 15.34 H new ATOM 0 HG2 GLU A 41 6.445 -14.185 -4.279 1.00 20.10 H new ATOM 0 HG3 GLU A 41 5.736 -15.489 -5.210 1.00 20.10 H new ATOM 684 N LEU A 42 2.554 -11.512 -4.044 1.00 23.34 N ATOM 685 CA LEU A 42 1.211 -10.965 -3.937 1.00 2.32 C ATOM 686 C LEU A 42 1.182 -9.505 -4.371 1.00 71.33 C ATOM 687 O LEU A 42 0.391 -9.130 -5.233 1.00 4.53 O ATOM 688 CB LEU A 42 0.683 -11.097 -2.506 1.00 2.25 C ATOM 689 CG LEU A 42 0.507 -12.526 -1.986 1.00 52.23 C ATOM 690 CD1 LEU A 42 0.003 -12.509 -0.554 1.00 24.34 C ATOM 691 CD2 LEU A 42 -0.447 -13.311 -2.877 1.00 14.43 C ATOM 0 H LEU A 42 2.970 -11.787 -3.154 1.00 23.34 H new ATOM 0 HA LEU A 42 0.565 -11.538 -4.602 1.00 2.32 H new ATOM 0 HB2 LEU A 42 1.364 -10.570 -1.838 1.00 2.25 H new ATOM 0 HB3 LEU A 42 -0.279 -10.588 -2.446 1.00 2.25 H new ATOM 0 HG LEU A 42 1.478 -13.020 -2.007 1.00 52.23 H new ATOM 0 HD11 LEU A 42 -0.117 -13.532 -0.198 1.00 24.34 H new ATOM 0 HD12 LEU A 42 0.721 -11.987 0.078 1.00 24.34 H new ATOM 0 HD13 LEU A 42 -0.957 -11.995 -0.512 1.00 24.34 H new ATOM 0 HD21 LEU A 42 -0.557 -14.324 -2.489 1.00 14.43 H new ATOM 0 HD22 LEU A 42 -1.420 -12.820 -2.890 1.00 14.43 H new ATOM 0 HD23 LEU A 42 -0.047 -13.352 -3.890 1.00 14.43 H new ATOM 703 N ILE A 43 2.068 -8.699 -3.786 1.00 11.23 N ATOM 704 CA ILE A 43 2.140 -7.265 -4.084 1.00 15.33 C ATOM 705 C ILE A 43 2.274 -7.002 -5.582 1.00 64.14 C ATOM 706 O ILE A 43 1.449 -6.301 -6.171 1.00 51.12 O ATOM 707 CB ILE A 43 3.317 -6.587 -3.334 1.00 51.24 C ATOM 708 CG1 ILE A 43 3.071 -6.599 -1.818 1.00 10.12 C ATOM 709 CG2 ILE A 43 3.536 -5.160 -3.832 1.00 10.44 C ATOM 710 CD1 ILE A 43 1.879 -5.770 -1.381 1.00 3.40 C ATOM 0 H ILE A 43 2.751 -9.016 -3.098 1.00 11.23 H new ATOM 0 HA ILE A 43 1.202 -6.831 -3.737 1.00 15.33 H new ATOM 0 HB ILE A 43 4.222 -7.158 -3.541 1.00 51.24 H new ATOM 0 HG12 ILE A 43 2.924 -7.629 -1.492 1.00 10.12 H new ATOM 0 HG13 ILE A 43 3.963 -6.229 -1.312 1.00 10.12 H new ATOM 0 HG21 ILE A 43 4.367 -4.709 -3.289 1.00 10.44 H new ATOM 0 HG22 ILE A 43 3.765 -5.178 -4.897 1.00 10.44 H new ATOM 0 HG23 ILE A 43 2.632 -4.574 -3.665 1.00 10.44 H new ATOM 0 HD11 ILE A 43 1.772 -5.830 -0.298 1.00 3.40 H new ATOM 0 HD12 ILE A 43 2.031 -4.731 -1.674 1.00 3.40 H new ATOM 0 HD13 ILE A 43 0.976 -6.152 -1.856 1.00 3.40 H new ATOM 722 N ASN A 44 3.302 -7.578 -6.197 1.00 45.25 N ATOM 723 CA ASN A 44 3.538 -7.375 -7.626 1.00 73.14 C ATOM 724 C ASN A 44 2.379 -7.901 -8.451 1.00 51.42 C ATOM 725 O ASN A 44 2.005 -7.305 -9.463 1.00 44.00 O ATOM 726 CB ASN A 44 4.850 -8.022 -8.076 1.00 60.35 C ATOM 727 CG ASN A 44 6.075 -7.254 -7.612 1.00 42.13 C ATOM 728 OD1 ASN A 44 6.512 -6.313 -8.269 1.00 4.31 O ATOM 729 ND2 ASN A 44 6.644 -7.658 -6.494 1.00 44.33 N ATOM 0 H ASN A 44 3.980 -8.184 -5.735 1.00 45.25 H new ATOM 0 HA ASN A 44 3.619 -6.301 -7.791 1.00 73.14 H new ATOM 0 HB2 ASN A 44 4.898 -9.041 -7.691 1.00 60.35 H new ATOM 0 HB3 ASN A 44 4.861 -8.092 -9.164 1.00 60.35 H new ATOM 0 HD21 ASN A 44 7.478 -7.185 -6.146 1.00 44.33 H new ATOM 0 HD22 ASN A 44 6.251 -8.444 -5.977 1.00 44.33 H new ATOM 736 N GLY A 45 1.803 -9.010 -8.005 1.00 71.32 N ATOM 737 CA GLY A 45 0.673 -9.587 -8.695 1.00 32.34 C ATOM 738 C GLY A 45 -0.516 -8.655 -8.708 1.00 43.24 C ATOM 739 O GLY A 45 -1.127 -8.437 -9.757 1.00 41.03 O ATOM 0 H GLY A 45 2.102 -9.520 -7.174 1.00 71.32 H new ATOM 0 HA2 GLY A 45 0.957 -9.827 -9.720 1.00 32.34 H new ATOM 0 HA3 GLY A 45 0.394 -10.524 -8.214 1.00 32.34 H new ATOM 743 N TYR A 46 -0.835 -8.084 -7.545 1.00 0.33 N ATOM 744 CA TYR A 46 -1.957 -7.155 -7.422 1.00 70.14 C ATOM 745 C TYR A 46 -1.794 -5.979 -8.371 1.00 73.02 C ATOM 746 O TYR A 46 -2.750 -5.565 -9.025 1.00 55.03 O ATOM 747 CB TYR A 46 -2.108 -6.654 -5.978 1.00 64.02 C ATOM 748 CG TYR A 46 -2.479 -7.736 -4.980 1.00 74.50 C ATOM 749 CD1 TYR A 46 -3.402 -8.726 -5.304 1.00 42.54 C ATOM 750 CD2 TYR A 46 -1.910 -7.765 -3.714 1.00 2.55 C ATOM 751 CE1 TYR A 46 -3.741 -9.711 -4.398 1.00 34.34 C ATOM 752 CE2 TYR A 46 -2.244 -8.746 -2.803 1.00 73.43 C ATOM 753 CZ TYR A 46 -3.160 -9.716 -3.150 1.00 62.53 C ATOM 754 OH TYR A 46 -3.495 -10.694 -2.244 1.00 12.22 O ATOM 0 H TYR A 46 -0.330 -8.250 -6.674 1.00 0.33 H new ATOM 0 HA TYR A 46 -2.863 -7.697 -7.692 1.00 70.14 H new ATOM 0 HB2 TYR A 46 -1.171 -6.193 -5.665 1.00 64.02 H new ATOM 0 HB3 TYR A 46 -2.870 -5.875 -5.953 1.00 64.02 H new ATOM 0 HD1 TYR A 46 -3.861 -8.724 -6.282 1.00 42.54 H new ATOM 0 HD2 TYR A 46 -1.193 -7.006 -3.437 1.00 2.55 H new ATOM 0 HE1 TYR A 46 -4.458 -10.473 -4.667 1.00 34.34 H new ATOM 0 HE2 TYR A 46 -1.790 -8.754 -1.823 1.00 73.43 H new ATOM 0 HH TYR A 46 -4.445 -10.916 -2.338 1.00 12.22 H new ATOM 764 N ILE A 47 -0.573 -5.460 -8.456 1.00 24.52 N ATOM 765 CA ILE A 47 -0.262 -4.346 -9.349 1.00 13.12 C ATOM 766 C ILE A 47 -0.610 -4.705 -10.795 1.00 20.52 C ATOM 767 O ILE A 47 -1.183 -3.897 -11.534 1.00 33.22 O ATOM 768 CB ILE A 47 1.238 -3.965 -9.262 1.00 31.31 C ATOM 769 CG1 ILE A 47 1.598 -3.549 -7.833 1.00 13.33 C ATOM 770 CG2 ILE A 47 1.571 -2.847 -10.247 1.00 41.32 C ATOM 771 CD1 ILE A 47 3.074 -3.292 -7.625 1.00 15.23 C ATOM 0 H ILE A 47 0.223 -5.795 -7.914 1.00 24.52 H new ATOM 0 HA ILE A 47 -0.861 -3.492 -9.033 1.00 13.12 H new ATOM 0 HB ILE A 47 1.831 -4.839 -9.530 1.00 31.31 H new ATOM 0 HG12 ILE A 47 1.042 -2.647 -7.576 1.00 13.33 H new ATOM 0 HG13 ILE A 47 1.274 -4.330 -7.145 1.00 13.33 H new ATOM 0 HG21 ILE A 47 2.629 -2.596 -10.168 1.00 41.32 H new ATOM 0 HG22 ILE A 47 1.351 -3.179 -11.262 1.00 41.32 H new ATOM 0 HG23 ILE A 47 0.971 -1.967 -10.015 1.00 41.32 H new ATOM 0 HD11 ILE A 47 3.250 -3.002 -6.589 1.00 15.23 H new ATOM 0 HD12 ILE A 47 3.636 -4.199 -7.849 1.00 15.23 H new ATOM 0 HD13 ILE A 47 3.400 -2.490 -8.287 1.00 15.23 H new ATOM 783 N GLN A 48 -0.284 -5.930 -11.184 1.00 32.35 N ATOM 784 CA GLN A 48 -0.559 -6.401 -12.534 1.00 64.02 C ATOM 785 C GLN A 48 -2.061 -6.512 -12.770 1.00 54.33 C ATOM 786 O GLN A 48 -2.565 -6.110 -13.817 1.00 1.50 O ATOM 787 CB GLN A 48 0.115 -7.756 -12.786 1.00 11.53 C ATOM 788 CG GLN A 48 1.606 -7.770 -12.479 1.00 74.11 C ATOM 789 CD GLN A 48 2.379 -6.704 -13.235 1.00 74.32 C ATOM 790 OE1 GLN A 48 2.025 -6.333 -14.354 1.00 65.35 O ATOM 791 NE2 GLN A 48 3.432 -6.199 -12.624 1.00 40.05 N ATOM 0 H GLN A 48 0.172 -6.616 -10.583 1.00 32.35 H new ATOM 0 HA GLN A 48 -0.148 -5.673 -13.234 1.00 64.02 H new ATOM 0 HB2 GLN A 48 -0.378 -8.515 -12.178 1.00 11.53 H new ATOM 0 HB3 GLN A 48 -0.034 -8.036 -13.829 1.00 11.53 H new ATOM 0 HG2 GLN A 48 1.752 -7.626 -11.408 1.00 74.11 H new ATOM 0 HG3 GLN A 48 2.013 -8.750 -12.727 1.00 74.11 H new ATOM 0 HE21 GLN A 48 3.693 -6.534 -11.696 1.00 40.05 H new ATOM 0 HE22 GLN A 48 3.986 -5.474 -13.079 1.00 40.05 H new ATOM 800 N LYS A 49 -2.778 -7.032 -11.770 1.00 64.31 N ATOM 801 CA LYS A 49 -4.231 -7.199 -11.860 1.00 33.33 C ATOM 802 C LYS A 49 -4.915 -5.855 -12.104 1.00 65.52 C ATOM 803 O LYS A 49 -5.854 -5.758 -12.896 1.00 54.20 O ATOM 804 CB LYS A 49 -4.782 -7.823 -10.574 1.00 33.50 C ATOM 805 CG LYS A 49 -4.110 -9.129 -10.177 1.00 42.54 C ATOM 806 CD LYS A 49 -4.633 -9.641 -8.842 1.00 14.24 C ATOM 807 CE LYS A 49 -6.018 -10.252 -8.973 1.00 51.04 C ATOM 808 NZ LYS A 49 -5.998 -11.493 -9.789 1.00 32.33 N ATOM 0 H LYS A 49 -2.375 -7.345 -10.887 1.00 64.31 H new ATOM 0 HA LYS A 49 -4.439 -7.863 -12.699 1.00 33.33 H new ATOM 0 HB2 LYS A 49 -4.670 -7.108 -9.759 1.00 33.50 H new ATOM 0 HB3 LYS A 49 -5.850 -8.000 -10.698 1.00 33.50 H new ATOM 0 HG2 LYS A 49 -4.284 -9.879 -10.949 1.00 42.54 H new ATOM 0 HG3 LYS A 49 -3.032 -8.981 -10.114 1.00 42.54 H new ATOM 0 HD2 LYS A 49 -3.944 -10.386 -8.444 1.00 14.24 H new ATOM 0 HD3 LYS A 49 -4.665 -8.820 -8.125 1.00 14.24 H new ATOM 0 HE2 LYS A 49 -6.412 -10.475 -7.982 1.00 51.04 H new ATOM 0 HE3 LYS A 49 -6.693 -9.528 -9.429 1.00 51.04 H new ATOM 0 HZ1 LYS A 49 -6.865 -12.039 -9.611 1.00 32.33 H new ATOM 0 HZ2 LYS A 49 -5.946 -11.245 -10.798 1.00 32.33 H new ATOM 0 HZ3 LYS A 49 -5.169 -12.065 -9.530 1.00 32.33 H new ATOM 822 N ILE A 50 -4.425 -4.827 -11.421 1.00 32.00 N ATOM 823 CA ILE A 50 -4.972 -3.481 -11.542 1.00 40.01 C ATOM 824 C ILE A 50 -4.761 -2.928 -12.954 1.00 40.04 C ATOM 825 O ILE A 50 -5.671 -2.334 -13.542 1.00 15.13 O ATOM 826 CB ILE A 50 -4.323 -2.524 -10.510 1.00 74.32 C ATOM 827 CG1 ILE A 50 -4.563 -3.041 -9.091 1.00 3.12 C ATOM 828 CG2 ILE A 50 -4.872 -1.107 -10.662 1.00 40.53 C ATOM 829 CD1 ILE A 50 -3.826 -2.265 -8.024 1.00 74.13 C ATOM 0 H ILE A 50 -3.642 -4.902 -10.772 1.00 32.00 H new ATOM 0 HA ILE A 50 -6.042 -3.545 -11.343 1.00 40.01 H new ATOM 0 HB ILE A 50 -3.250 -2.492 -10.697 1.00 74.32 H new ATOM 0 HG12 ILE A 50 -5.632 -3.007 -8.878 1.00 3.12 H new ATOM 0 HG13 ILE A 50 -4.261 -4.087 -9.040 1.00 3.12 H new ATOM 0 HG21 ILE A 50 -4.402 -0.454 -9.927 1.00 40.53 H new ATOM 0 HG22 ILE A 50 -4.657 -0.739 -11.665 1.00 40.53 H new ATOM 0 HG23 ILE A 50 -5.950 -1.115 -10.502 1.00 40.53 H new ATOM 0 HD11 ILE A 50 -4.047 -2.692 -7.046 1.00 74.13 H new ATOM 0 HD12 ILE A 50 -2.753 -2.320 -8.210 1.00 74.13 H new ATOM 0 HD13 ILE A 50 -4.145 -1.223 -8.046 1.00 74.13 H new ATOM 841 N LYS A 51 -3.570 -3.146 -13.503 1.00 45.22 N ATOM 842 CA LYS A 51 -3.241 -2.653 -14.839 1.00 71.45 C ATOM 843 C LYS A 51 -4.028 -3.392 -15.916 1.00 62.41 C ATOM 844 O LYS A 51 -4.379 -2.817 -16.944 1.00 10.54 O ATOM 845 CB LYS A 51 -1.742 -2.766 -15.114 1.00 1.11 C ATOM 846 CG LYS A 51 -0.880 -1.897 -14.207 1.00 62.43 C ATOM 847 CD LYS A 51 0.585 -1.926 -14.629 1.00 60.14 C ATOM 848 CE LYS A 51 0.779 -1.316 -16.014 1.00 31.14 C ATOM 849 NZ LYS A 51 2.204 -1.305 -16.422 1.00 41.51 N ATOM 0 H LYS A 51 -2.817 -3.660 -13.046 1.00 45.22 H new ATOM 0 HA LYS A 51 -3.523 -1.601 -14.872 1.00 71.45 H new ATOM 0 HB2 LYS A 51 -1.439 -3.807 -14.999 1.00 1.11 H new ATOM 0 HB3 LYS A 51 -1.551 -2.492 -16.152 1.00 1.11 H new ATOM 0 HG2 LYS A 51 -1.246 -0.870 -14.231 1.00 62.43 H new ATOM 0 HG3 LYS A 51 -0.970 -2.244 -13.177 1.00 62.43 H new ATOM 0 HD2 LYS A 51 1.185 -1.379 -13.902 1.00 60.14 H new ATOM 0 HD3 LYS A 51 0.944 -2.955 -14.630 1.00 60.14 H new ATOM 0 HE2 LYS A 51 0.198 -1.880 -16.743 1.00 31.14 H new ATOM 0 HE3 LYS A 51 0.393 -0.297 -16.018 1.00 31.14 H new ATOM 0 HZ1 LYS A 51 2.291 -0.883 -17.368 1.00 41.51 H new ATOM 0 HZ2 LYS A 51 2.756 -0.745 -15.741 1.00 41.51 H new ATOM 0 HZ3 LYS A 51 2.567 -2.280 -16.443 1.00 41.51 H new ATOM 863 N SER A 52 -4.298 -4.661 -15.680 1.00 43.11 N ATOM 864 CA SER A 52 -5.062 -5.464 -16.620 1.00 21.23 C ATOM 865 C SER A 52 -6.558 -5.174 -16.498 1.00 32.24 C ATOM 866 O SER A 52 -7.346 -5.518 -17.382 1.00 33.23 O ATOM 867 CB SER A 52 -4.784 -6.942 -16.386 1.00 22.42 C ATOM 868 OG SER A 52 -3.405 -7.219 -16.539 1.00 75.32 O ATOM 0 H SER A 52 -3.999 -5.161 -14.843 1.00 43.11 H new ATOM 0 HA SER A 52 -4.752 -5.201 -17.631 1.00 21.23 H new ATOM 0 HB2 SER A 52 -5.108 -7.225 -15.385 1.00 22.42 H new ATOM 0 HB3 SER A 52 -5.361 -7.542 -17.089 1.00 22.42 H new ATOM 0 HG SER A 52 -2.922 -6.926 -15.738 1.00 75.32 H new ATOM 874 N GLY A 53 -6.942 -4.541 -15.399 1.00 13.03 N ATOM 875 CA GLY A 53 -8.330 -4.198 -15.188 1.00 44.34 C ATOM 876 C GLY A 53 -9.119 -5.334 -14.586 1.00 61.34 C ATOM 877 O GLY A 53 -10.351 -5.322 -14.610 1.00 61.51 O ATOM 0 H GLY A 53 -6.313 -4.259 -14.648 1.00 13.03 H new ATOM 0 HA2 GLY A 53 -8.391 -3.330 -14.532 1.00 44.34 H new ATOM 0 HA3 GLY A 53 -8.779 -3.911 -16.139 1.00 44.34 H new ATOM 881 N GLU A 54 -8.413 -6.318 -14.045 1.00 51.12 N ATOM 882 CA GLU A 54 -9.051 -7.467 -13.423 1.00 3.44 C ATOM 883 C GLU A 54 -9.772 -7.036 -12.163 1.00 21.04 C ATOM 884 O GLU A 54 -10.982 -7.208 -12.031 1.00 73.13 O ATOM 885 CB GLU A 54 -8.013 -8.540 -13.087 1.00 24.31 C ATOM 886 CG GLU A 54 -7.289 -9.102 -14.297 1.00 54.41 C ATOM 887 CD GLU A 54 -8.225 -9.779 -15.270 1.00 22.33 C ATOM 888 OE1 GLU A 54 -8.818 -10.817 -14.909 1.00 30.53 O ATOM 889 OE2 GLU A 54 -8.368 -9.281 -16.406 1.00 1.12 O ATOM 0 H GLU A 54 -7.393 -6.342 -14.025 1.00 51.12 H new ATOM 0 HA GLU A 54 -9.772 -7.887 -14.124 1.00 3.44 H new ATOM 0 HB2 GLU A 54 -7.279 -8.118 -12.401 1.00 24.31 H new ATOM 0 HB3 GLU A 54 -8.508 -9.357 -12.561 1.00 24.31 H new ATOM 0 HG2 GLU A 54 -6.761 -8.296 -14.807 1.00 54.41 H new ATOM 0 HG3 GLU A 54 -6.536 -9.817 -13.966 1.00 54.41 H new ATOM 896 N GLU A 55 -9.020 -6.460 -11.251 1.00 42.22 N ATOM 897 CA GLU A 55 -9.556 -5.972 -10.002 1.00 70.30 C ATOM 898 C GLU A 55 -9.048 -4.578 -9.739 1.00 13.34 C ATOM 899 O GLU A 55 -7.901 -4.259 -10.059 1.00 21.22 O ATOM 900 CB GLU A 55 -9.169 -6.893 -8.844 1.00 10.14 C ATOM 901 CG GLU A 55 -9.931 -8.204 -8.805 1.00 53.24 C ATOM 902 CD GLU A 55 -11.420 -8.002 -8.629 1.00 12.51 C ATOM 903 OE1 GLU A 55 -11.831 -7.437 -7.588 1.00 35.50 O ATOM 904 OE2 GLU A 55 -12.189 -8.411 -9.515 1.00 41.12 O ATOM 0 H GLU A 55 -8.016 -6.317 -11.357 1.00 42.22 H new ATOM 0 HA GLU A 55 -10.643 -5.955 -10.078 1.00 70.30 H new ATOM 0 HB2 GLU A 55 -8.102 -7.108 -8.908 1.00 10.14 H new ATOM 0 HB3 GLU A 55 -9.332 -6.364 -7.905 1.00 10.14 H new ATOM 0 HG2 GLU A 55 -9.749 -8.754 -9.728 1.00 53.24 H new ATOM 0 HG3 GLU A 55 -9.551 -8.817 -7.988 1.00 53.24 H new ATOM 911 N ASP A 56 -9.895 -3.750 -9.176 1.00 63.40 N ATOM 912 CA ASP A 56 -9.528 -2.384 -8.860 1.00 32.14 C ATOM 913 C ASP A 56 -8.655 -2.335 -7.632 1.00 73.32 C ATOM 914 O ASP A 56 -8.671 -3.255 -6.810 1.00 74.01 O ATOM 915 CB ASP A 56 -10.771 -1.526 -8.637 1.00 75.12 C ATOM 916 CG ASP A 56 -11.502 -1.228 -9.915 1.00 53.31 C ATOM 917 OD1 ASP A 56 -11.034 -0.361 -10.678 1.00 22.22 O ATOM 918 OD2 ASP A 56 -12.545 -1.867 -10.170 1.00 20.01 O ATOM 0 H ASP A 56 -10.852 -3.998 -8.924 1.00 63.40 H new ATOM 0 HA ASP A 56 -8.970 -1.987 -9.708 1.00 32.14 H new ATOM 0 HB2 ASP A 56 -11.443 -2.038 -7.949 1.00 75.12 H new ATOM 0 HB3 ASP A 56 -10.481 -0.589 -8.161 1.00 75.12 H new ATOM 923 N PHE A 57 -7.899 -1.257 -7.502 1.00 75.44 N ATOM 924 CA PHE A 57 -7.042 -1.055 -6.345 1.00 5.14 C ATOM 925 C PHE A 57 -7.886 -1.065 -5.080 1.00 73.25 C ATOM 926 O PHE A 57 -7.534 -1.696 -4.089 1.00 22.11 O ATOM 927 CB PHE A 57 -6.290 0.277 -6.469 1.00 70.21 C ATOM 928 CG PHE A 57 -5.351 0.558 -5.326 1.00 2.11 C ATOM 929 CD1 PHE A 57 -4.049 0.095 -5.355 1.00 55.33 C ATOM 930 CD2 PHE A 57 -5.773 1.287 -4.225 1.00 35.13 C ATOM 931 CE1 PHE A 57 -3.185 0.351 -4.312 1.00 42.41 C ATOM 932 CE2 PHE A 57 -4.913 1.543 -3.179 1.00 43.14 C ATOM 933 CZ PHE A 57 -3.618 1.077 -3.224 1.00 4.34 C ATOM 0 H PHE A 57 -7.862 -0.504 -8.189 1.00 75.44 H new ATOM 0 HA PHE A 57 -6.311 -1.862 -6.295 1.00 5.14 H new ATOM 0 HB2 PHE A 57 -5.723 0.277 -7.400 1.00 70.21 H new ATOM 0 HB3 PHE A 57 -7.016 1.087 -6.537 1.00 70.21 H new ATOM 0 HD1 PHE A 57 -3.704 -0.474 -6.205 1.00 55.33 H new ATOM 0 HD2 PHE A 57 -6.786 1.658 -4.187 1.00 35.13 H new ATOM 0 HE1 PHE A 57 -2.170 -0.017 -4.348 1.00 42.41 H new ATOM 0 HE2 PHE A 57 -5.254 2.109 -2.325 1.00 43.14 H new ATOM 0 HZ PHE A 57 -2.942 1.281 -2.407 1.00 4.34 H new ATOM 943 N GLU A 58 -9.017 -0.377 -5.146 1.00 44.10 N ATOM 944 CA GLU A 58 -9.944 -0.294 -4.029 1.00 63.25 C ATOM 945 C GLU A 58 -10.517 -1.673 -3.706 1.00 4.41 C ATOM 946 O GLU A 58 -10.699 -2.024 -2.540 1.00 32.40 O ATOM 947 CB GLU A 58 -11.071 0.678 -4.366 1.00 70.15 C ATOM 948 CG GLU A 58 -10.584 2.066 -4.754 1.00 62.01 C ATOM 949 CD GLU A 58 -11.697 2.958 -5.253 1.00 64.23 C ATOM 950 OE1 GLU A 58 -12.148 2.762 -6.402 1.00 35.13 O ATOM 951 OE2 GLU A 58 -12.127 3.859 -4.503 1.00 5.54 O ATOM 0 H GLU A 58 -9.316 0.138 -5.974 1.00 44.10 H new ATOM 0 HA GLU A 58 -9.408 0.070 -3.153 1.00 63.25 H new ATOM 0 HB2 GLU A 58 -11.661 0.267 -5.185 1.00 70.15 H new ATOM 0 HB3 GLU A 58 -11.735 0.763 -3.506 1.00 70.15 H new ATOM 0 HG2 GLU A 58 -10.109 2.534 -3.892 1.00 62.01 H new ATOM 0 HG3 GLU A 58 -9.822 1.976 -5.528 1.00 62.01 H new ATOM 958 N SER A 59 -10.782 -2.451 -4.749 1.00 33.04 N ATOM 959 CA SER A 59 -11.326 -3.789 -4.591 1.00 23.02 C ATOM 960 C SER A 59 -10.315 -4.688 -3.883 1.00 4.45 C ATOM 961 O SER A 59 -10.649 -5.397 -2.936 1.00 54.32 O ATOM 962 CB SER A 59 -11.687 -4.375 -5.963 1.00 74.33 C ATOM 963 OG SER A 59 -12.516 -5.519 -5.840 1.00 55.11 O ATOM 0 H SER A 59 -10.627 -2.173 -5.718 1.00 33.04 H new ATOM 0 HA SER A 59 -12.229 -3.733 -3.984 1.00 23.02 H new ATOM 0 HB2 SER A 59 -12.196 -3.618 -6.560 1.00 74.33 H new ATOM 0 HB3 SER A 59 -10.775 -4.642 -6.497 1.00 74.33 H new ATOM 0 HG SER A 59 -12.382 -6.105 -6.614 1.00 55.11 H new ATOM 969 N LEU A 60 -9.072 -4.637 -4.340 1.00 1.11 N ATOM 970 CA LEU A 60 -8.015 -5.442 -3.757 1.00 62.03 C ATOM 971 C LEU A 60 -7.695 -4.983 -2.340 1.00 4.32 C ATOM 972 O LEU A 60 -7.428 -5.798 -1.462 1.00 32.21 O ATOM 973 CB LEU A 60 -6.762 -5.395 -4.633 1.00 43.10 C ATOM 974 CG LEU A 60 -6.904 -6.011 -6.027 1.00 5.14 C ATOM 975 CD1 LEU A 60 -5.653 -5.769 -6.848 1.00 32.23 C ATOM 976 CD2 LEU A 60 -7.186 -7.504 -5.924 1.00 70.01 C ATOM 0 H LEU A 60 -8.773 -4.044 -5.115 1.00 1.11 H new ATOM 0 HA LEU A 60 -8.365 -6.473 -3.705 1.00 62.03 H new ATOM 0 HB2 LEU A 60 -6.458 -4.354 -4.745 1.00 43.10 H new ATOM 0 HB3 LEU A 60 -5.955 -5.908 -4.109 1.00 43.10 H new ATOM 0 HG LEU A 60 -7.745 -5.531 -6.528 1.00 5.14 H new ATOM 0 HD11 LEU A 60 -5.774 -6.215 -7.835 1.00 32.23 H new ATOM 0 HD12 LEU A 60 -5.488 -4.697 -6.952 1.00 32.23 H new ATOM 0 HD13 LEU A 60 -4.797 -6.222 -6.348 1.00 32.23 H new ATOM 0 HD21 LEU A 60 -7.284 -7.926 -6.924 1.00 70.01 H new ATOM 0 HD22 LEU A 60 -6.364 -7.994 -5.402 1.00 70.01 H new ATOM 0 HD23 LEU A 60 -8.112 -7.662 -5.371 1.00 70.01 H new ATOM 988 N ALA A 61 -7.744 -3.680 -2.121 1.00 43.34 N ATOM 989 CA ALA A 61 -7.454 -3.114 -0.814 1.00 65.41 C ATOM 990 C ALA A 61 -8.491 -3.536 0.221 1.00 65.10 C ATOM 991 O ALA A 61 -8.145 -4.009 1.291 1.00 72.12 O ATOM 992 CB ALA A 61 -7.369 -1.596 -0.893 1.00 1.42 C ATOM 0 H ALA A 61 -7.983 -2.991 -2.835 1.00 43.34 H new ATOM 0 HA ALA A 61 -6.487 -3.502 -0.494 1.00 65.41 H new ATOM 0 HB1 ALA A 61 -7.151 -1.192 0.096 1.00 1.42 H new ATOM 0 HB2 ALA A 61 -6.576 -1.311 -1.584 1.00 1.42 H new ATOM 0 HB3 ALA A 61 -8.319 -1.196 -1.247 1.00 1.42 H new ATOM 998 N SER A 62 -9.756 -3.400 -0.119 1.00 14.04 N ATOM 999 CA SER A 62 -10.836 -3.717 0.810 1.00 32.32 C ATOM 1000 C SER A 62 -11.076 -5.225 0.954 1.00 31.24 C ATOM 1001 O SER A 62 -12.040 -5.639 1.596 1.00 42.23 O ATOM 1002 CB SER A 62 -12.119 -3.030 0.361 1.00 13.11 C ATOM 1003 OG SER A 62 -11.930 -1.630 0.258 1.00 41.32 O ATOM 0 H SER A 62 -10.068 -3.072 -1.033 1.00 14.04 H new ATOM 0 HA SER A 62 -10.533 -3.348 1.790 1.00 32.32 H new ATOM 0 HB2 SER A 62 -12.434 -3.431 -0.603 1.00 13.11 H new ATOM 0 HB3 SER A 62 -12.918 -3.242 1.071 1.00 13.11 H new ATOM 0 HG SER A 62 -11.652 -1.273 1.127 1.00 41.32 H new ATOM 1009 N GLN A 63 -10.207 -6.043 0.375 1.00 70.35 N ATOM 1010 CA GLN A 63 -10.400 -7.488 0.435 1.00 71.40 C ATOM 1011 C GLN A 63 -9.109 -8.241 0.761 1.00 2.43 C ATOM 1012 O GLN A 63 -9.076 -9.057 1.682 1.00 4.33 O ATOM 1013 CB GLN A 63 -10.985 -8.005 -0.882 1.00 53.42 C ATOM 1014 CG GLN A 63 -12.387 -7.487 -1.180 1.00 54.24 C ATOM 1015 CD GLN A 63 -12.920 -7.955 -2.519 1.00 42.33 C ATOM 1016 OE1 GLN A 63 -12.036 -8.134 -3.481 1.00 71.20 O flip ATOM 1017 NE2 GLN A 63 -14.124 -8.144 -2.685 1.00 0.43 N flip ATOM 0 H GLN A 63 -9.376 -5.740 -0.133 1.00 70.35 H new ATOM 0 HA GLN A 63 -11.101 -7.677 1.248 1.00 71.40 H new ATOM 0 HB2 GLN A 63 -10.322 -7.721 -1.699 1.00 53.42 H new ATOM 0 HB3 GLN A 63 -11.009 -9.094 -0.855 1.00 53.42 H new ATOM 0 HG2 GLN A 63 -13.064 -7.814 -0.391 1.00 54.24 H new ATOM 0 HG3 GLN A 63 -12.377 -6.397 -1.160 1.00 54.24 H new ATOM 0 HE21 GLN A 63 -14.775 -7.994 -1.914 1.00 0.43 H new ATOM 0 HE22 GLN A 63 -14.472 -8.451 -3.594 1.00 0.43 H new ATOM 1026 N PHE A 64 -8.054 -7.966 0.017 1.00 0.21 N ATOM 1027 CA PHE A 64 -6.801 -8.705 0.166 1.00 25.14 C ATOM 1028 C PHE A 64 -5.801 -7.990 1.071 1.00 64.44 C ATOM 1029 O PHE A 64 -4.779 -8.561 1.441 1.00 15.20 O ATOM 1030 CB PHE A 64 -6.177 -8.972 -1.206 1.00 52.42 C ATOM 1031 CG PHE A 64 -7.011 -9.857 -2.094 1.00 13.44 C ATOM 1032 CD1 PHE A 64 -8.028 -9.326 -2.870 1.00 12.10 C ATOM 1033 CD2 PHE A 64 -6.776 -11.222 -2.151 1.00 10.40 C ATOM 1034 CE1 PHE A 64 -8.794 -10.136 -3.686 1.00 42.44 C ATOM 1035 CE2 PHE A 64 -7.539 -12.037 -2.966 1.00 32.45 C ATOM 1036 CZ PHE A 64 -8.548 -11.493 -3.733 1.00 42.33 C ATOM 0 H PHE A 64 -8.033 -7.238 -0.697 1.00 0.21 H new ATOM 0 HA PHE A 64 -7.045 -9.652 0.646 1.00 25.14 H new ATOM 0 HB2 PHE A 64 -6.012 -8.020 -1.711 1.00 52.42 H new ATOM 0 HB3 PHE A 64 -5.199 -9.433 -1.066 1.00 52.42 H new ATOM 0 HD1 PHE A 64 -8.225 -8.265 -2.837 1.00 12.10 H new ATOM 0 HD2 PHE A 64 -5.988 -11.654 -1.552 1.00 10.40 H new ATOM 0 HE1 PHE A 64 -9.584 -9.708 -4.286 1.00 42.44 H new ATOM 0 HE2 PHE A 64 -7.345 -13.099 -3.002 1.00 32.45 H new ATOM 0 HZ PHE A 64 -9.145 -12.129 -4.370 1.00 42.33 H new ATOM 1046 N SER A 65 -6.089 -6.753 1.420 1.00 13.33 N ATOM 1047 CA SER A 65 -5.198 -6.000 2.278 1.00 41.12 C ATOM 1048 C SER A 65 -5.520 -6.267 3.742 1.00 12.44 C ATOM 1049 O SER A 65 -6.685 -6.367 4.121 1.00 12.52 O ATOM 1050 CB SER A 65 -5.292 -4.501 1.974 1.00 23.54 C ATOM 1051 OG SER A 65 -4.362 -3.756 2.746 1.00 63.02 O ATOM 0 H SER A 65 -6.927 -6.251 1.125 1.00 13.33 H new ATOM 0 HA SER A 65 -4.176 -6.325 2.082 1.00 41.12 H new ATOM 0 HB2 SER A 65 -5.106 -4.331 0.914 1.00 23.54 H new ATOM 0 HB3 SER A 65 -6.303 -4.149 2.180 1.00 23.54 H new ATOM 0 HG SER A 65 -3.631 -4.342 3.033 1.00 63.02 H new ATOM 1057 N ASP A 66 -4.485 -6.379 4.559 1.00 24.34 N ATOM 1058 CA ASP A 66 -4.658 -6.646 5.983 1.00 41.12 C ATOM 1059 C ASP A 66 -4.685 -5.338 6.758 1.00 12.43 C ATOM 1060 O ASP A 66 -4.560 -5.324 7.982 1.00 62.30 O ATOM 1061 CB ASP A 66 -3.520 -7.521 6.518 1.00 3.32 C ATOM 1062 CG ASP A 66 -3.122 -8.630 5.572 1.00 11.22 C ATOM 1063 OD1 ASP A 66 -3.829 -9.657 5.499 1.00 43.31 O ATOM 1064 OD2 ASP A 66 -2.086 -8.478 4.907 1.00 73.11 O ATOM 0 H ASP A 66 -3.513 -6.289 4.262 1.00 24.34 H new ATOM 0 HA ASP A 66 -5.602 -7.174 6.114 1.00 41.12 H new ATOM 0 HB2 ASP A 66 -2.651 -6.893 6.717 1.00 3.32 H new ATOM 0 HB3 ASP A 66 -3.823 -7.957 7.470 1.00 3.32 H new ATOM 1069 N SER A 67 -4.836 -4.243 6.042 1.00 22.22 N ATOM 1070 CA SER A 67 -4.865 -2.931 6.652 1.00 41.15 C ATOM 1071 C SER A 67 -6.207 -2.686 7.328 1.00 35.23 C ATOM 1072 O SER A 67 -7.235 -3.172 6.873 1.00 23.44 O ATOM 1073 CB SER A 67 -4.607 -1.852 5.592 1.00 14.14 C ATOM 1074 OG SER A 67 -4.627 -0.550 6.159 1.00 61.54 O ATOM 0 H SER A 67 -4.941 -4.237 5.027 1.00 22.22 H new ATOM 0 HA SER A 67 -4.081 -2.883 7.408 1.00 41.15 H new ATOM 0 HB2 SER A 67 -3.641 -2.029 5.119 1.00 14.14 H new ATOM 0 HB3 SER A 67 -5.363 -1.921 4.810 1.00 14.14 H new ATOM 0 HG SER A 67 -4.458 0.114 5.459 1.00 61.54 H new ATOM 1080 N SER A 68 -6.192 -1.945 8.417 1.00 20.24 N ATOM 1081 CA SER A 68 -7.416 -1.597 9.110 1.00 73.01 C ATOM 1082 C SER A 68 -8.133 -0.503 8.325 1.00 64.23 C ATOM 1083 O SER A 68 -9.344 -0.307 8.449 1.00 73.23 O ATOM 1084 CB SER A 68 -7.103 -1.125 10.534 1.00 43.14 C ATOM 1085 OG SER A 68 -8.288 -0.904 11.281 1.00 32.55 O ATOM 0 H SER A 68 -5.344 -1.571 8.842 1.00 20.24 H new ATOM 0 HA SER A 68 -8.062 -2.472 9.181 1.00 73.01 H new ATOM 0 HB2 SER A 68 -6.488 -1.870 11.038 1.00 43.14 H new ATOM 0 HB3 SER A 68 -6.520 -0.205 10.493 1.00 43.14 H new ATOM 0 HG SER A 68 -8.054 -0.605 12.185 1.00 32.55 H new ATOM 1091 N SER A 69 -7.371 0.183 7.490 1.00 24.20 N ATOM 1092 CA SER A 69 -7.891 1.241 6.656 1.00 2.43 C ATOM 1093 C SER A 69 -8.486 0.664 5.373 1.00 1.50 C ATOM 1094 O SER A 69 -9.057 1.392 4.558 1.00 1.00 O ATOM 1095 CB SER A 69 -6.779 2.225 6.325 1.00 21.34 C ATOM 1096 OG SER A 69 -6.104 2.647 7.504 1.00 61.25 O ATOM 0 H SER A 69 -6.371 0.017 7.375 1.00 24.20 H new ATOM 0 HA SER A 69 -8.681 1.763 7.196 1.00 2.43 H new ATOM 0 HB2 SER A 69 -6.069 1.760 5.642 1.00 21.34 H new ATOM 0 HB3 SER A 69 -7.196 3.091 5.811 1.00 21.34 H new ATOM 0 HG SER A 69 -5.393 3.278 7.266 1.00 61.25 H new ATOM 1102 N ALA A 70 -8.341 -0.653 5.198 1.00 23.25 N ATOM 1103 CA ALA A 70 -8.859 -1.352 4.022 1.00 22.14 C ATOM 1104 C ALA A 70 -10.364 -1.156 3.888 1.00 1.42 C ATOM 1105 O ALA A 70 -10.902 -1.127 2.780 1.00 42.44 O ATOM 1106 CB ALA A 70 -8.530 -2.831 4.103 1.00 31.31 C ATOM 0 H ALA A 70 -7.864 -1.260 5.864 1.00 23.25 H new ATOM 0 HA ALA A 70 -8.380 -0.929 3.139 1.00 22.14 H new ATOM 0 HB1 ALA A 70 -8.921 -3.340 3.222 1.00 31.31 H new ATOM 0 HB2 ALA A 70 -7.449 -2.961 4.147 1.00 31.31 H new ATOM 0 HB3 ALA A 70 -8.984 -3.256 4.998 1.00 31.31 H new ATOM 1112 N LYS A 71 -11.035 -1.004 5.026 1.00 73.24 N ATOM 1113 CA LYS A 71 -12.478 -0.772 5.059 1.00 21.10 C ATOM 1114 C LYS A 71 -12.830 0.537 4.346 1.00 11.34 C ATOM 1115 O LYS A 71 -13.928 0.699 3.821 1.00 70.04 O ATOM 1116 CB LYS A 71 -12.963 -0.727 6.506 1.00 11.14 C ATOM 1117 CG LYS A 71 -12.804 -2.042 7.255 1.00 12.40 C ATOM 1118 CD LYS A 71 -13.021 -1.851 8.746 1.00 64.13 C ATOM 1119 CE LYS A 71 -13.021 -3.175 9.493 1.00 21.54 C ATOM 1120 NZ LYS A 71 -14.224 -3.985 9.184 1.00 65.32 N ATOM 0 H LYS A 71 -10.598 -1.038 5.947 1.00 73.24 H new ATOM 0 HA LYS A 71 -12.975 -1.592 4.540 1.00 21.10 H new ATOM 0 HB2 LYS A 71 -12.415 0.050 7.038 1.00 11.14 H new ATOM 0 HB3 LYS A 71 -14.014 -0.440 6.517 1.00 11.14 H new ATOM 0 HG2 LYS A 71 -13.517 -2.771 6.871 1.00 12.40 H new ATOM 0 HG3 LYS A 71 -11.808 -2.447 7.078 1.00 12.40 H new ATOM 0 HD2 LYS A 71 -12.238 -1.208 9.147 1.00 64.13 H new ATOM 0 HD3 LYS A 71 -13.969 -1.340 8.912 1.00 64.13 H new ATOM 0 HE2 LYS A 71 -12.126 -3.740 9.231 1.00 21.54 H new ATOM 0 HE3 LYS A 71 -12.976 -2.987 10.566 1.00 21.54 H new ATOM 0 HZ1 LYS A 71 -14.282 -4.786 9.845 1.00 65.32 H new ATOM 0 HZ2 LYS A 71 -15.074 -3.394 9.280 1.00 65.32 H new ATOM 0 HZ3 LYS A 71 -14.160 -4.344 8.210 1.00 65.32 H new ATOM 1134 N ALA A 72 -11.879 1.457 4.322 1.00 35.31 N ATOM 1135 CA ALA A 72 -12.058 2.739 3.666 1.00 52.44 C ATOM 1136 C ALA A 72 -11.402 2.721 2.293 1.00 65.20 C ATOM 1137 O ALA A 72 -11.026 3.761 1.766 1.00 2.32 O ATOM 1138 CB ALA A 72 -11.459 3.849 4.519 1.00 14.22 C ATOM 0 H ALA A 72 -10.964 1.335 4.756 1.00 35.31 H new ATOM 0 HA ALA A 72 -13.125 2.926 3.542 1.00 52.44 H new ATOM 0 HB1 ALA A 72 -11.598 4.807 4.019 1.00 14.22 H new ATOM 0 HB2 ALA A 72 -11.956 3.871 5.489 1.00 14.22 H new ATOM 0 HB3 ALA A 72 -10.394 3.665 4.661 1.00 14.22 H new ATOM 1144 N ARG A 73 -11.258 1.513 1.728 1.00 42.02 N ATOM 1145 CA ARG A 73 -10.639 1.311 0.404 1.00 21.42 C ATOM 1146 C ARG A 73 -9.148 1.629 0.436 1.00 54.23 C ATOM 1147 O ARG A 73 -8.507 1.751 -0.606 1.00 42.21 O ATOM 1148 CB ARG A 73 -11.330 2.158 -0.672 1.00 33.35 C ATOM 1149 CG ARG A 73 -12.801 1.847 -0.860 1.00 53.20 C ATOM 1150 CD ARG A 73 -13.405 2.720 -1.940 1.00 44.40 C ATOM 1151 NE ARG A 73 -14.820 2.435 -2.160 1.00 72.12 N ATOM 1152 CZ ARG A 73 -15.505 2.838 -3.235 1.00 42.42 C ATOM 1153 NH1 ARG A 73 -14.888 3.477 -4.227 1.00 61.03 N ATOM 1154 NH2 ARG A 73 -16.798 2.576 -3.328 1.00 1.52 N ATOM 0 H ARG A 73 -11.566 0.648 2.173 1.00 42.02 H new ATOM 0 HA ARG A 73 -10.765 0.259 0.150 1.00 21.42 H new ATOM 0 HB2 ARG A 73 -11.223 3.211 -0.413 1.00 33.35 H new ATOM 0 HB3 ARG A 73 -10.815 2.010 -1.621 1.00 33.35 H new ATOM 0 HG2 ARG A 73 -12.924 0.797 -1.125 1.00 53.20 H new ATOM 0 HG3 ARG A 73 -13.333 2.003 0.079 1.00 53.20 H new ATOM 0 HD2 ARG A 73 -13.287 3.768 -1.664 1.00 44.40 H new ATOM 0 HD3 ARG A 73 -12.858 2.572 -2.871 1.00 44.40 H new ATOM 0 HE ARG A 73 -15.316 1.896 -1.450 1.00 72.12 H new ATOM 0 HH11 ARG A 73 -13.887 3.662 -4.170 1.00 61.03 H new ATOM 0 HH12 ARG A 73 -15.417 3.782 -5.044 1.00 61.03 H new ATOM 0 HH21 ARG A 73 -17.270 2.068 -2.581 1.00 1.52 H new ATOM 0 HH22 ARG A 73 -17.323 2.882 -4.147 1.00 1.52 H new ATOM 1168 N GLY A 74 -8.598 1.747 1.633 1.00 43.42 N ATOM 1169 CA GLY A 74 -7.197 2.065 1.769 1.00 62.02 C ATOM 1170 C GLY A 74 -6.946 3.555 1.677 1.00 12.15 C ATOM 1171 O GLY A 74 -5.805 3.992 1.545 1.00 55.21 O ATOM 0 H GLY A 74 -9.099 1.628 2.513 1.00 43.42 H new ATOM 0 HA2 GLY A 74 -6.831 1.693 2.726 1.00 62.02 H new ATOM 0 HA3 GLY A 74 -6.631 1.553 0.991 1.00 62.02 H new ATOM 1175 N ASP A 75 -8.016 4.332 1.740 1.00 31.33 N ATOM 1176 CA ASP A 75 -7.927 5.788 1.673 1.00 41.22 C ATOM 1177 C ASP A 75 -7.205 6.351 2.884 1.00 43.53 C ATOM 1178 O ASP A 75 -7.558 6.054 4.026 1.00 42.53 O ATOM 1179 CB ASP A 75 -9.328 6.407 1.564 1.00 22.13 C ATOM 1180 CG ASP A 75 -9.333 7.911 1.774 1.00 0.24 C ATOM 1181 OD1 ASP A 75 -8.718 8.634 0.966 1.00 25.53 O ATOM 1182 OD2 ASP A 75 -9.958 8.380 2.750 1.00 45.30 O ATOM 0 H ASP A 75 -8.967 3.977 1.838 1.00 31.33 H new ATOM 0 HA ASP A 75 -7.353 6.045 0.783 1.00 41.22 H new ATOM 0 HB2 ASP A 75 -9.743 6.182 0.581 1.00 22.13 H new ATOM 0 HB3 ASP A 75 -9.983 5.941 2.300 1.00 22.13 H new ATOM 1187 N LEU A 76 -6.179 7.141 2.631 1.00 15.03 N ATOM 1188 CA LEU A 76 -5.435 7.783 3.698 1.00 1.22 C ATOM 1189 C LEU A 76 -6.008 9.165 3.949 1.00 50.21 C ATOM 1190 O LEU A 76 -5.753 9.783 4.986 1.00 74.11 O ATOM 1191 CB LEU A 76 -3.952 7.895 3.323 1.00 12.05 C ATOM 1192 CG LEU A 76 -2.943 7.454 4.395 1.00 14.24 C ATOM 1193 CD1 LEU A 76 -1.526 7.589 3.874 1.00 34.15 C ATOM 1194 CD2 LEU A 76 -3.113 8.253 5.675 1.00 43.42 C ATOM 0 H LEU A 76 -5.841 7.354 1.693 1.00 15.03 H new ATOM 0 HA LEU A 76 -5.520 7.181 4.603 1.00 1.22 H new ATOM 0 HB2 LEU A 76 -3.780 7.300 2.426 1.00 12.05 H new ATOM 0 HB3 LEU A 76 -3.743 8.932 3.062 1.00 12.05 H new ATOM 0 HG LEU A 76 -3.136 6.406 4.625 1.00 14.24 H new ATOM 0 HD11 LEU A 76 -0.823 7.273 4.645 1.00 34.15 H new ATOM 0 HD12 LEU A 76 -1.402 6.962 2.991 1.00 34.15 H new ATOM 0 HD13 LEU A 76 -1.333 8.629 3.611 1.00 34.15 H new ATOM 0 HD21 LEU A 76 -2.385 7.917 6.413 1.00 43.42 H new ATOM 0 HD22 LEU A 76 -2.957 9.311 5.467 1.00 43.42 H new ATOM 0 HD23 LEU A 76 -4.120 8.105 6.065 1.00 43.42 H new ATOM 1206 N GLY A 77 -6.799 9.634 3.004 1.00 21.32 N ATOM 1207 CA GLY A 77 -7.365 10.946 3.107 1.00 75.41 C ATOM 1208 C GLY A 77 -6.384 12.003 2.672 1.00 11.35 C ATOM 1209 O GLY A 77 -5.360 11.691 2.060 1.00 13.32 O ATOM 0 H GLY A 77 -7.058 9.120 2.162 1.00 21.32 H new ATOM 0 HA2 GLY A 77 -8.263 11.006 2.492 1.00 75.41 H new ATOM 0 HA3 GLY A 77 -7.670 11.132 4.137 1.00 75.41 H new ATOM 1213 N ALA A 78 -6.686 13.241 2.976 1.00 11.21 N ATOM 1214 CA ALA A 78 -5.810 14.336 2.629 1.00 62.31 C ATOM 1215 C ALA A 78 -4.779 14.551 3.722 1.00 52.43 C ATOM 1216 O ALA A 78 -5.111 14.990 4.826 1.00 45.42 O ATOM 1217 CB ALA A 78 -6.611 15.605 2.392 1.00 55.11 C ATOM 0 H ALA A 78 -7.537 13.518 3.466 1.00 11.21 H new ATOM 0 HA ALA A 78 -5.288 14.085 1.706 1.00 62.31 H new ATOM 0 HB1 ALA A 78 -5.934 16.419 2.132 1.00 55.11 H new ATOM 0 HB2 ALA A 78 -7.315 15.444 1.576 1.00 55.11 H new ATOM 0 HB3 ALA A 78 -7.159 15.864 3.298 1.00 55.11 H new ATOM 1223 N PHE A 79 -3.542 14.228 3.422 1.00 22.04 N ATOM 1224 CA PHE A 79 -2.465 14.403 4.370 1.00 20.54 C ATOM 1225 C PHE A 79 -1.473 15.421 3.845 1.00 4.23 C ATOM 1226 O PHE A 79 -1.339 15.604 2.630 1.00 13.22 O ATOM 1227 CB PHE A 79 -1.776 13.061 4.698 1.00 54.55 C ATOM 1228 CG PHE A 79 -1.294 12.283 3.499 1.00 71.34 C ATOM 1229 CD1 PHE A 79 -2.158 11.450 2.804 1.00 1.01 C ATOM 1230 CD2 PHE A 79 0.023 12.376 3.076 1.00 42.03 C ATOM 1231 CE1 PHE A 79 -1.719 10.730 1.711 1.00 42.41 C ATOM 1232 CE2 PHE A 79 0.467 11.655 1.986 1.00 63.23 C ATOM 1233 CZ PHE A 79 -0.405 10.831 1.303 1.00 14.05 C ATOM 0 H PHE A 79 -3.255 13.840 2.523 1.00 22.04 H new ATOM 0 HA PHE A 79 -2.885 14.779 5.303 1.00 20.54 H new ATOM 0 HB2 PHE A 79 -0.926 13.256 5.351 1.00 54.55 H new ATOM 0 HB3 PHE A 79 -2.473 12.439 5.260 1.00 54.55 H new ATOM 0 HD1 PHE A 79 -3.187 11.364 3.122 1.00 1.01 H new ATOM 0 HD2 PHE A 79 0.709 13.020 3.605 1.00 42.03 H new ATOM 0 HE1 PHE A 79 -2.403 10.088 1.176 1.00 42.41 H new ATOM 0 HE2 PHE A 79 1.496 11.735 1.668 1.00 63.23 H new ATOM 0 HZ PHE A 79 -0.059 10.266 0.450 1.00 14.05 H new ATOM 1243 N SER A 80 -0.804 16.110 4.745 1.00 55.22 N ATOM 1244 CA SER A 80 0.127 17.146 4.351 1.00 30.44 C ATOM 1245 C SER A 80 1.258 17.278 5.358 1.00 70.34 C ATOM 1246 O SER A 80 1.287 16.568 6.371 1.00 43.32 O ATOM 1247 CB SER A 80 -0.612 18.485 4.228 1.00 75.54 C ATOM 1248 OG SER A 80 -1.779 18.346 3.436 1.00 14.53 O ATOM 0 H SER A 80 -0.887 15.972 5.752 1.00 55.22 H new ATOM 0 HA SER A 80 0.556 16.871 3.388 1.00 30.44 H new ATOM 0 HB2 SER A 80 -0.881 18.849 5.219 1.00 75.54 H new ATOM 0 HB3 SER A 80 0.048 19.230 3.783 1.00 75.54 H new ATOM 0 HG SER A 80 -2.544 18.736 3.909 1.00 14.53 H new ATOM 1254 N ARG A 81 2.201 18.178 5.052 1.00 4.14 N ATOM 1255 CA ARG A 81 3.330 18.492 5.935 1.00 11.31 C ATOM 1256 C ARG A 81 4.301 17.316 6.081 1.00 51.50 C ATOM 1257 O ARG A 81 5.198 17.343 6.920 1.00 63.32 O ATOM 1258 CB ARG A 81 2.820 18.968 7.305 1.00 54.31 C ATOM 1259 CG ARG A 81 1.965 20.225 7.219 1.00 50.21 C ATOM 1260 CD ARG A 81 1.354 20.594 8.559 1.00 52.25 C ATOM 1261 NE ARG A 81 0.587 21.842 8.477 1.00 40.23 N ATOM 1262 CZ ARG A 81 -0.306 22.250 9.385 1.00 4.20 C ATOM 1263 NH1 ARG A 81 -0.558 21.508 10.455 1.00 55.21 N ATOM 1264 NH2 ARG A 81 -0.946 23.404 9.217 1.00 54.42 N ATOM 0 H ARG A 81 2.202 18.710 4.182 1.00 4.14 H new ATOM 0 HA ARG A 81 3.893 19.302 5.471 1.00 11.31 H new ATOM 0 HB2 ARG A 81 2.238 18.170 7.767 1.00 54.31 H new ATOM 0 HB3 ARG A 81 3.672 19.159 7.957 1.00 54.31 H new ATOM 0 HG2 ARG A 81 2.575 21.054 6.859 1.00 50.21 H new ATOM 0 HG3 ARG A 81 1.170 20.073 6.488 1.00 50.21 H new ATOM 0 HD2 ARG A 81 0.703 19.788 8.897 1.00 52.25 H new ATOM 0 HD3 ARG A 81 2.144 20.700 9.303 1.00 52.25 H new ATOM 0 HE ARG A 81 0.747 22.443 7.668 1.00 40.23 H new ATOM 0 HH11 ARG A 81 -0.070 20.622 10.588 1.00 55.21 H new ATOM 0 HH12 ARG A 81 -1.240 21.823 11.145 1.00 55.21 H new ATOM 0 HH21 ARG A 81 -0.756 23.978 8.395 1.00 54.42 H new ATOM 0 HH22 ARG A 81 -1.627 23.715 9.910 1.00 54.42 H new ATOM 1278 N GLY A 82 4.122 16.297 5.247 1.00 43.11 N ATOM 1279 CA GLY A 82 4.999 15.141 5.279 1.00 24.53 C ATOM 1280 C GLY A 82 4.852 14.326 6.545 1.00 72.31 C ATOM 1281 O GLY A 82 5.818 13.725 7.024 1.00 32.25 O ATOM 0 H GLY A 82 3.382 16.251 4.547 1.00 43.11 H new ATOM 0 HA2 GLY A 82 4.788 14.507 4.418 1.00 24.53 H new ATOM 0 HA3 GLY A 82 6.033 15.473 5.184 1.00 24.53 H new ATOM 1285 N GLN A 83 3.650 14.307 7.093 1.00 34.30 N ATOM 1286 CA GLN A 83 3.384 13.555 8.303 1.00 51.44 C ATOM 1287 C GLN A 83 3.133 12.092 7.981 1.00 30.31 C ATOM 1288 O GLN A 83 1.983 11.639 7.915 1.00 53.13 O ATOM 1289 CB GLN A 83 2.208 14.159 9.058 1.00 73.54 C ATOM 1290 CG GLN A 83 2.448 15.594 9.484 1.00 63.22 C ATOM 1291 CD GLN A 83 1.251 16.213 10.154 1.00 72.52 C ATOM 1292 OE1 GLN A 83 1.095 16.128 11.369 1.00 15.33 O ATOM 1293 NE2 GLN A 83 0.397 16.841 9.371 1.00 75.15 N ATOM 0 H GLN A 83 2.843 14.805 6.718 1.00 34.30 H new ATOM 0 HA GLN A 83 4.263 13.610 8.945 1.00 51.44 H new ATOM 0 HB2 GLN A 83 1.320 14.117 8.428 1.00 73.54 H new ATOM 0 HB3 GLN A 83 2.001 13.554 9.941 1.00 73.54 H new ATOM 0 HG2 GLN A 83 3.298 15.628 10.166 1.00 63.22 H new ATOM 0 HG3 GLN A 83 2.716 16.187 8.610 1.00 63.22 H new ATOM 0 HE21 GLN A 83 0.566 16.888 8.366 1.00 75.15 H new ATOM 0 HE22 GLN A 83 -0.433 17.281 9.770 1.00 75.15 H new ATOM 1302 N MET A 84 4.225 11.373 7.755 1.00 35.54 N ATOM 1303 CA MET A 84 4.200 9.963 7.398 1.00 41.12 C ATOM 1304 C MET A 84 5.644 9.474 7.262 1.00 31.21 C ATOM 1305 O MET A 84 6.567 10.295 7.183 1.00 30.14 O ATOM 1306 CB MET A 84 3.453 9.777 6.061 1.00 3.35 C ATOM 1307 CG MET A 84 3.119 8.334 5.705 1.00 55.41 C ATOM 1308 SD MET A 84 1.985 7.556 6.876 1.00 60.20 S ATOM 1309 CE MET A 84 0.582 8.672 6.801 1.00 53.43 C ATOM 0 H MET A 84 5.167 11.760 7.816 1.00 35.54 H new ATOM 0 HA MET A 84 3.684 9.389 8.168 1.00 41.12 H new ATOM 0 HB2 MET A 84 2.527 10.350 6.097 1.00 3.35 H new ATOM 0 HB3 MET A 84 4.060 10.202 5.261 1.00 3.35 H new ATOM 0 HG2 MET A 84 2.678 8.305 4.709 1.00 55.41 H new ATOM 0 HG3 MET A 84 4.041 7.754 5.662 1.00 55.41 H new ATOM 0 HE1 MET A 84 -0.311 8.158 7.155 1.00 53.43 H new ATOM 0 HE2 MET A 84 0.774 9.541 7.431 1.00 53.43 H new ATOM 0 HE3 MET A 84 0.430 8.997 5.772 1.00 53.43 H new ATOM 1319 N GLN A 85 5.850 8.156 7.263 1.00 24.51 N ATOM 1320 CA GLN A 85 7.191 7.592 7.077 1.00 42.35 C ATOM 1321 C GLN A 85 7.789 8.056 5.751 1.00 74.30 C ATOM 1322 O GLN A 85 7.091 8.121 4.737 1.00 50.31 O ATOM 1323 CB GLN A 85 7.159 6.062 7.134 1.00 44.24 C ATOM 1324 CG GLN A 85 6.951 5.497 8.529 1.00 62.53 C ATOM 1325 CD GLN A 85 8.075 5.863 9.481 1.00 14.33 C ATOM 1326 OE1 GLN A 85 8.029 6.898 10.147 1.00 40.44 O ATOM 1327 NE2 GLN A 85 9.081 5.013 9.564 1.00 4.14 N ATOM 0 H GLN A 85 5.113 7.462 7.389 1.00 24.51 H new ATOM 0 HA GLN A 85 7.820 7.951 7.892 1.00 42.35 H new ATOM 0 HB2 GLN A 85 6.361 5.702 6.485 1.00 44.24 H new ATOM 0 HB3 GLN A 85 8.095 5.675 6.733 1.00 44.24 H new ATOM 0 HG2 GLN A 85 6.007 5.866 8.929 1.00 62.53 H new ATOM 0 HG3 GLN A 85 6.870 4.412 8.469 1.00 62.53 H new ATOM 0 HE21 GLN A 85 9.082 4.166 8.995 1.00 4.14 H new ATOM 0 HE22 GLN A 85 9.858 5.203 10.197 1.00 4.14 H new ATOM 1336 N LYS A 86 9.078 8.369 5.769 1.00 2.53 N ATOM 1337 CA LYS A 86 9.778 8.880 4.592 1.00 15.22 C ATOM 1338 C LYS A 86 9.647 7.955 3.358 1.00 51.02 C ATOM 1339 O LYS A 86 9.331 8.439 2.275 1.00 52.32 O ATOM 1340 CB LYS A 86 11.253 9.172 4.906 1.00 25.33 C ATOM 1341 CG LYS A 86 11.983 9.900 3.788 1.00 23.31 C ATOM 1342 CD LYS A 86 11.391 11.281 3.548 1.00 4.13 C ATOM 1343 CE LYS A 86 12.058 11.978 2.378 1.00 62.34 C ATOM 1344 NZ LYS A 86 11.521 13.344 2.167 1.00 52.34 N ATOM 0 H LYS A 86 9.668 8.277 6.596 1.00 2.53 H new ATOM 0 HA LYS A 86 9.287 9.817 4.329 1.00 15.22 H new ATOM 0 HB2 LYS A 86 11.310 9.770 5.815 1.00 25.33 H new ATOM 0 HB3 LYS A 86 11.765 8.232 5.110 1.00 25.33 H new ATOM 0 HG2 LYS A 86 13.039 9.994 4.041 1.00 23.31 H new ATOM 0 HG3 LYS A 86 11.926 9.313 2.871 1.00 23.31 H new ATOM 0 HD2 LYS A 86 10.322 11.191 3.357 1.00 4.13 H new ATOM 0 HD3 LYS A 86 11.505 11.887 4.447 1.00 4.13 H new ATOM 0 HE2 LYS A 86 13.132 12.034 2.554 1.00 62.34 H new ATOM 0 HE3 LYS A 86 11.913 11.387 1.473 1.00 62.34 H new ATOM 0 HZ1 LYS A 86 11.979 13.773 1.338 1.00 52.34 H new ATOM 0 HZ2 LYS A 86 10.495 13.293 2.008 1.00 52.34 H new ATOM 0 HZ3 LYS A 86 11.712 13.926 3.008 1.00 52.34 H new ATOM 1358 N PRO A 87 9.891 6.608 3.490 1.00 23.12 N ATOM 1359 CA PRO A 87 9.750 5.674 2.357 1.00 2.04 C ATOM 1360 C PRO A 87 8.378 5.790 1.690 1.00 71.04 C ATOM 1361 O PRO A 87 8.255 5.712 0.466 1.00 1.14 O ATOM 1362 CB PRO A 87 9.891 4.297 3.008 1.00 35.04 C ATOM 1363 CG PRO A 87 10.699 4.533 4.232 1.00 50.31 C ATOM 1364 CD PRO A 87 10.343 5.910 4.717 1.00 55.52 C ATOM 0 HA PRO A 87 10.482 5.872 1.574 1.00 2.04 H new ATOM 0 HB2 PRO A 87 8.917 3.875 3.253 1.00 35.04 H new ATOM 0 HB3 PRO A 87 10.385 3.592 2.339 1.00 35.04 H new ATOM 0 HG2 PRO A 87 10.479 3.784 4.993 1.00 50.31 H new ATOM 0 HG3 PRO A 87 11.765 4.462 4.014 1.00 50.31 H new ATOM 0 HD2 PRO A 87 9.558 5.878 5.472 1.00 55.52 H new ATOM 0 HD3 PRO A 87 11.200 6.409 5.169 1.00 55.52 H new ATOM 1372 N PHE A 88 7.364 5.993 2.511 1.00 32.20 N ATOM 1373 CA PHE A 88 6.001 6.123 2.039 1.00 41.30 C ATOM 1374 C PHE A 88 5.798 7.510 1.423 1.00 74.32 C ATOM 1375 O PHE A 88 5.207 7.647 0.349 1.00 55.04 O ATOM 1376 CB PHE A 88 5.033 5.905 3.212 1.00 71.32 C ATOM 1377 CG PHE A 88 3.592 5.736 2.820 1.00 41.45 C ATOM 1378 CD1 PHE A 88 2.778 6.838 2.616 1.00 44.02 C ATOM 1379 CD2 PHE A 88 3.047 4.471 2.669 1.00 52.13 C ATOM 1380 CE1 PHE A 88 1.453 6.683 2.267 1.00 44.12 C ATOM 1381 CE2 PHE A 88 1.720 4.311 2.318 1.00 62.42 C ATOM 1382 CZ PHE A 88 0.923 5.419 2.118 1.00 60.31 C ATOM 0 H PHE A 88 7.464 6.072 3.523 1.00 32.20 H new ATOM 0 HA PHE A 88 5.802 5.372 1.274 1.00 41.30 H new ATOM 0 HB2 PHE A 88 5.350 5.021 3.766 1.00 71.32 H new ATOM 0 HB3 PHE A 88 5.112 6.753 3.892 1.00 71.32 H new ATOM 0 HD1 PHE A 88 3.186 7.831 2.732 1.00 44.02 H new ATOM 0 HD2 PHE A 88 3.666 3.600 2.827 1.00 52.13 H new ATOM 0 HE1 PHE A 88 0.831 7.552 2.110 1.00 44.12 H new ATOM 0 HE2 PHE A 88 1.307 3.320 2.200 1.00 62.42 H new ATOM 0 HZ PHE A 88 -0.115 5.296 1.845 1.00 60.31 H new ATOM 1392 N GLU A 89 6.316 8.523 2.105 1.00 1.03 N ATOM 1393 CA GLU A 89 6.208 9.913 1.665 1.00 62.24 C ATOM 1394 C GLU A 89 6.850 10.117 0.294 1.00 62.52 C ATOM 1395 O GLU A 89 6.233 10.683 -0.612 1.00 3.34 O ATOM 1396 CB GLU A 89 6.885 10.834 2.678 1.00 42.54 C ATOM 1397 CG GLU A 89 6.859 12.296 2.280 1.00 71.12 C ATOM 1398 CD GLU A 89 7.802 13.138 3.090 1.00 63.21 C ATOM 1399 OE1 GLU A 89 7.420 13.575 4.185 1.00 22.22 O ATOM 1400 OE2 GLU A 89 8.931 13.380 2.626 1.00 21.25 O ATOM 0 H GLU A 89 6.825 8.407 2.981 1.00 1.03 H new ATOM 0 HA GLU A 89 5.148 10.155 1.590 1.00 62.24 H new ATOM 0 HB2 GLU A 89 6.394 10.720 3.645 1.00 42.54 H new ATOM 0 HB3 GLU A 89 7.921 10.520 2.807 1.00 42.54 H new ATOM 0 HG2 GLU A 89 7.116 12.385 1.224 1.00 71.12 H new ATOM 0 HG3 GLU A 89 5.846 12.681 2.395 1.00 71.12 H new ATOM 1407 N ASP A 90 8.086 9.643 0.153 1.00 14.23 N ATOM 1408 CA ASP A 90 8.861 9.804 -1.082 1.00 1.05 C ATOM 1409 C ASP A 90 8.109 9.277 -2.296 1.00 15.33 C ATOM 1410 O ASP A 90 8.241 9.808 -3.396 1.00 73.01 O ATOM 1411 CB ASP A 90 10.221 9.101 -0.958 1.00 71.20 C ATOM 1412 CG ASP A 90 11.072 9.246 -2.208 1.00 33.32 C ATOM 1413 OD1 ASP A 90 11.615 10.345 -2.440 1.00 54.10 O ATOM 1414 OD2 ASP A 90 11.195 8.266 -2.968 1.00 60.55 O ATOM 0 H ASP A 90 8.580 9.137 0.888 1.00 14.23 H new ATOM 0 HA ASP A 90 9.021 10.872 -1.228 1.00 1.05 H new ATOM 0 HB2 ASP A 90 10.762 9.512 -0.106 1.00 71.20 H new ATOM 0 HB3 ASP A 90 10.061 8.042 -0.753 1.00 71.20 H new ATOM 1419 N ALA A 91 7.312 8.245 -2.092 1.00 13.43 N ATOM 1420 CA ALA A 91 6.548 7.651 -3.171 1.00 75.54 C ATOM 1421 C ALA A 91 5.207 8.362 -3.363 1.00 42.32 C ATOM 1422 O ALA A 91 4.800 8.631 -4.486 1.00 52.21 O ATOM 1423 CB ALA A 91 6.334 6.169 -2.911 1.00 52.03 C ATOM 0 H ALA A 91 7.177 7.800 -1.184 1.00 13.43 H new ATOM 0 HA ALA A 91 7.119 7.768 -4.092 1.00 75.54 H new ATOM 0 HB1 ALA A 91 5.759 5.735 -3.729 1.00 52.03 H new ATOM 0 HB2 ALA A 91 7.300 5.669 -2.841 1.00 52.03 H new ATOM 0 HB3 ALA A 91 5.790 6.039 -1.976 1.00 52.03 H new ATOM 1429 N SER A 92 4.543 8.683 -2.259 1.00 0.33 N ATOM 1430 CA SER A 92 3.225 9.323 -2.305 1.00 75.43 C ATOM 1431 C SER A 92 3.297 10.720 -2.924 1.00 10.25 C ATOM 1432 O SER A 92 2.483 11.078 -3.779 1.00 23.22 O ATOM 1433 CB SER A 92 2.634 9.411 -0.899 1.00 0.24 C ATOM 1434 OG SER A 92 2.617 8.140 -0.280 1.00 12.22 O ATOM 0 H SER A 92 4.893 8.512 -1.316 1.00 0.33 H new ATOM 0 HA SER A 92 2.581 8.708 -2.934 1.00 75.43 H new ATOM 0 HB2 SER A 92 3.219 10.106 -0.297 1.00 0.24 H new ATOM 0 HB3 SER A 92 1.621 9.809 -0.950 1.00 0.24 H new ATOM 0 HG SER A 92 3.529 7.889 -0.023 1.00 12.22 H new ATOM 1440 N PHE A 93 4.288 11.495 -2.510 1.00 23.44 N ATOM 1441 CA PHE A 93 4.447 12.858 -2.998 1.00 41.41 C ATOM 1442 C PHE A 93 5.091 12.881 -4.381 1.00 51.04 C ATOM 1443 O PHE A 93 5.290 13.946 -4.968 1.00 34.04 O ATOM 1444 CB PHE A 93 5.257 13.697 -2.003 1.00 12.21 C ATOM 1445 CG PHE A 93 4.508 14.020 -0.733 1.00 14.30 C ATOM 1446 CD1 PHE A 93 4.293 13.049 0.233 1.00 22.32 C ATOM 1447 CD2 PHE A 93 4.020 15.293 -0.507 1.00 5.14 C ATOM 1448 CE1 PHE A 93 3.608 13.345 1.396 1.00 11.14 C ATOM 1449 CE2 PHE A 93 3.334 15.597 0.655 1.00 23.22 C ATOM 1450 CZ PHE A 93 3.129 14.620 1.607 1.00 53.04 C ATOM 0 H PHE A 93 4.996 11.203 -1.836 1.00 23.44 H new ATOM 0 HA PHE A 93 3.454 13.299 -3.090 1.00 41.41 H new ATOM 0 HB2 PHE A 93 6.172 13.161 -1.749 1.00 12.21 H new ATOM 0 HB3 PHE A 93 5.556 14.628 -2.485 1.00 12.21 H new ATOM 0 HD1 PHE A 93 4.666 12.048 0.074 1.00 22.32 H new ATOM 0 HD2 PHE A 93 4.177 16.062 -1.249 1.00 5.14 H new ATOM 0 HE1 PHE A 93 3.448 12.578 2.139 1.00 11.14 H new ATOM 0 HE2 PHE A 93 2.960 16.597 0.817 1.00 23.22 H new ATOM 0 HZ PHE A 93 2.594 14.854 2.516 1.00 53.04 H new ATOM 1460 N ALA A 94 5.408 11.706 -4.895 1.00 10.41 N ATOM 1461 CA ALA A 94 5.981 11.583 -6.220 1.00 2.31 C ATOM 1462 C ALA A 94 4.939 11.075 -7.199 1.00 21.54 C ATOM 1463 O ALA A 94 5.200 10.945 -8.392 1.00 13.32 O ATOM 1464 CB ALA A 94 7.182 10.658 -6.202 1.00 12.43 C ATOM 0 H ALA A 94 5.276 10.819 -4.410 1.00 10.41 H new ATOM 0 HA ALA A 94 6.314 12.570 -6.543 1.00 2.31 H new ATOM 0 HB1 ALA A 94 7.596 10.580 -7.207 1.00 12.43 H new ATOM 0 HB2 ALA A 94 7.939 11.058 -5.527 1.00 12.43 H new ATOM 0 HB3 ALA A 94 6.875 9.670 -5.859 1.00 12.43 H new ATOM 1470 N LEU A 95 3.757 10.785 -6.689 1.00 51.34 N ATOM 1471 CA LEU A 95 2.676 10.292 -7.516 1.00 11.35 C ATOM 1472 C LEU A 95 1.930 11.439 -8.165 1.00 44.45 C ATOM 1473 O LEU A 95 1.719 12.481 -7.550 1.00 42.14 O ATOM 1474 CB LEU A 95 1.701 9.452 -6.695 1.00 4.34 C ATOM 1475 CG LEU A 95 2.251 8.149 -6.128 1.00 25.10 C ATOM 1476 CD1 LEU A 95 1.199 7.458 -5.286 1.00 34.54 C ATOM 1477 CD2 LEU A 95 2.716 7.235 -7.245 1.00 73.41 C ATOM 0 H LEU A 95 3.522 10.883 -5.701 1.00 51.34 H new ATOM 0 HA LEU A 95 3.115 9.667 -8.293 1.00 11.35 H new ATOM 0 HB2 LEU A 95 1.338 10.060 -5.867 1.00 4.34 H new ATOM 0 HB3 LEU A 95 0.840 9.217 -7.320 1.00 4.34 H new ATOM 0 HG LEU A 95 3.108 8.382 -5.496 1.00 25.10 H new ATOM 0 HD11 LEU A 95 1.605 6.528 -4.887 1.00 34.54 H new ATOM 0 HD12 LEU A 95 0.907 8.109 -4.462 1.00 34.54 H new ATOM 0 HD13 LEU A 95 0.327 7.238 -5.902 1.00 34.54 H new ATOM 0 HD21 LEU A 95 3.105 6.310 -6.820 1.00 73.41 H new ATOM 0 HD22 LEU A 95 1.877 7.007 -7.902 1.00 73.41 H new ATOM 0 HD23 LEU A 95 3.501 7.730 -7.817 1.00 73.41 H new ATOM 1489 N ARG A 96 1.550 11.245 -9.407 1.00 3.23 N ATOM 1490 CA ARG A 96 0.780 12.229 -10.144 1.00 14.25 C ATOM 1491 C ARG A 96 -0.700 11.872 -10.080 1.00 71.45 C ATOM 1492 O ARG A 96 -1.088 10.925 -9.390 1.00 52.04 O ATOM 1493 CB ARG A 96 1.236 12.292 -11.611 1.00 42.34 C ATOM 1494 CG ARG A 96 2.542 13.050 -11.855 1.00 22.00 C ATOM 1495 CD ARG A 96 3.749 12.336 -11.263 1.00 21.32 C ATOM 1496 NE ARG A 96 3.948 11.002 -11.842 1.00 74.11 N ATOM 1497 CZ ARG A 96 5.083 10.304 -11.732 1.00 44.44 C ATOM 1498 NH1 ARG A 96 6.129 10.830 -11.104 1.00 34.31 N ATOM 1499 NH2 ARG A 96 5.172 9.083 -12.252 1.00 62.13 N ATOM 0 H ARG A 96 1.765 10.401 -9.938 1.00 3.23 H new ATOM 0 HA ARG A 96 0.941 13.207 -9.691 1.00 14.25 H new ATOM 0 HB2 ARG A 96 1.350 11.274 -11.983 1.00 42.34 H new ATOM 0 HB3 ARG A 96 0.447 12.760 -12.200 1.00 42.34 H new ATOM 0 HG2 ARG A 96 2.689 13.178 -12.927 1.00 22.00 H new ATOM 0 HG3 ARG A 96 2.466 14.048 -11.423 1.00 22.00 H new ATOM 0 HD2 ARG A 96 4.642 12.938 -11.429 1.00 21.32 H new ATOM 0 HD3 ARG A 96 3.622 12.246 -10.184 1.00 21.32 H new ATOM 0 HE ARG A 96 3.175 10.583 -12.359 1.00 74.11 H new ATOM 0 HH11 ARG A 96 6.066 11.767 -10.705 1.00 34.31 H new ATOM 0 HH12 ARG A 96 6.995 10.297 -11.020 1.00 34.31 H new ATOM 0 HH21 ARG A 96 4.372 8.676 -12.737 1.00 62.13 H new ATOM 0 HH22 ARG A 96 6.040 8.554 -12.166 1.00 62.13 H new ATOM 1513 N THR A 97 -1.519 12.615 -10.797 1.00 74.50 N ATOM 1514 CA THR A 97 -2.945 12.360 -10.832 1.00 2.11 C ATOM 1515 C THR A 97 -3.244 11.099 -11.653 1.00 42.52 C ATOM 1516 O THR A 97 -3.230 11.127 -12.882 1.00 14.02 O ATOM 1517 CB THR A 97 -3.700 13.564 -11.426 1.00 74.03 C ATOM 1518 OG1 THR A 97 -3.362 14.752 -10.690 1.00 12.42 O ATOM 1519 CG2 THR A 97 -5.207 13.349 -11.371 1.00 10.22 C ATOM 0 H THR A 97 -1.219 13.406 -11.367 1.00 74.50 H new ATOM 0 HA THR A 97 -3.286 12.205 -9.808 1.00 2.11 H new ATOM 0 HB THR A 97 -3.405 13.672 -12.470 1.00 74.03 H new ATOM 0 HG1 THR A 97 -3.565 14.617 -9.741 1.00 12.42 H new ATOM 0 HG21 THR A 97 -5.714 14.215 -11.797 1.00 10.22 H new ATOM 0 HG22 THR A 97 -5.469 12.458 -11.942 1.00 10.22 H new ATOM 0 HG23 THR A 97 -5.519 13.220 -10.334 1.00 10.22 H new ATOM 1527 N GLY A 98 -3.485 9.995 -10.960 1.00 0.54 N ATOM 1528 CA GLY A 98 -3.763 8.744 -11.630 1.00 52.30 C ATOM 1529 C GLY A 98 -2.537 7.857 -11.695 1.00 10.12 C ATOM 1530 O GLY A 98 -2.463 6.935 -12.509 1.00 32.21 O ATOM 0 H GLY A 98 -3.493 9.945 -9.941 1.00 0.54 H new ATOM 0 HA2 GLY A 98 -4.563 8.221 -11.106 1.00 52.30 H new ATOM 0 HA3 GLY A 98 -4.121 8.944 -12.640 1.00 52.30 H new ATOM 1534 N GLU A 99 -1.576 8.134 -10.827 1.00 53.31 N ATOM 1535 CA GLU A 99 -0.331 7.387 -10.797 1.00 10.13 C ATOM 1536 C GLU A 99 -0.306 6.426 -9.608 1.00 41.50 C ATOM 1537 O GLU A 99 -0.870 6.717 -8.545 1.00 33.34 O ATOM 1538 CB GLU A 99 0.853 8.360 -10.726 1.00 44.13 C ATOM 1539 CG GLU A 99 2.224 7.699 -10.775 1.00 44.25 C ATOM 1540 CD GLU A 99 2.470 6.952 -12.063 1.00 35.34 C ATOM 1541 OE1 GLU A 99 2.081 5.777 -12.156 1.00 11.13 O ATOM 1542 OE2 GLU A 99 3.073 7.539 -12.989 1.00 15.42 O ATOM 0 H GLU A 99 -1.637 8.876 -10.130 1.00 53.31 H new ATOM 0 HA GLU A 99 -0.252 6.796 -11.710 1.00 10.13 H new ATOM 0 HB2 GLU A 99 0.775 9.066 -11.553 1.00 44.13 H new ATOM 0 HB3 GLU A 99 0.776 8.938 -9.805 1.00 44.13 H new ATOM 0 HG2 GLU A 99 2.994 8.461 -10.650 1.00 44.25 H new ATOM 0 HG3 GLU A 99 2.319 7.009 -9.937 1.00 44.25 H new ATOM 1549 N MET A 100 0.347 5.293 -9.792 1.00 71.00 N ATOM 1550 CA MET A 100 0.448 4.284 -8.756 1.00 42.35 C ATOM 1551 C MET A 100 1.885 3.798 -8.634 1.00 13.10 C ATOM 1552 O MET A 100 2.552 3.546 -9.640 1.00 5.35 O ATOM 1553 CB MET A 100 -0.482 3.103 -9.065 1.00 32.23 C ATOM 1554 CG MET A 100 -0.435 1.986 -8.026 1.00 70.04 C ATOM 1555 SD MET A 100 -1.577 0.636 -8.394 1.00 0.30 S ATOM 1556 CE MET A 100 -0.974 0.104 -9.995 1.00 20.21 C ATOM 0 H MET A 100 0.821 5.048 -10.661 1.00 71.00 H new ATOM 0 HA MET A 100 0.144 4.729 -7.809 1.00 42.35 H new ATOM 0 HB2 MET A 100 -1.505 3.470 -9.142 1.00 32.23 H new ATOM 0 HB3 MET A 100 -0.217 2.691 -10.039 1.00 32.23 H new ATOM 0 HG2 MET A 100 0.580 1.592 -7.969 1.00 70.04 H new ATOM 0 HG3 MET A 100 -0.672 2.399 -7.045 1.00 70.04 H new ATOM 0 HE1 MET A 100 -1.244 -0.940 -10.157 1.00 20.21 H new ATOM 0 HE2 MET A 100 -1.421 0.720 -10.775 1.00 20.21 H new ATOM 0 HE3 MET A 100 0.111 0.208 -10.028 1.00 20.21 H new ATOM 1566 N SER A 101 2.358 3.681 -7.411 1.00 4.10 N ATOM 1567 CA SER A 101 3.703 3.217 -7.162 1.00 33.21 C ATOM 1568 C SER A 101 3.690 1.710 -6.949 1.00 1.22 C ATOM 1569 O SER A 101 2.639 1.127 -6.674 1.00 23.35 O ATOM 1570 CB SER A 101 4.296 3.924 -5.934 1.00 25.01 C ATOM 1571 OG SER A 101 5.684 3.649 -5.801 1.00 13.11 O ATOM 0 H SER A 101 1.825 3.903 -6.570 1.00 4.10 H new ATOM 0 HA SER A 101 4.326 3.452 -8.025 1.00 33.21 H new ATOM 0 HB2 SER A 101 4.143 5.000 -6.022 1.00 25.01 H new ATOM 0 HB3 SER A 101 3.771 3.599 -5.036 1.00 25.01 H new ATOM 0 HG SER A 101 5.966 3.829 -4.880 1.00 13.11 H new ATOM 1577 N GLY A 102 4.846 1.089 -7.083 1.00 53.15 N ATOM 1578 CA GLY A 102 4.939 -0.337 -6.901 1.00 22.54 C ATOM 1579 C GLY A 102 5.119 -0.718 -5.444 1.00 64.03 C ATOM 1580 O GLY A 102 4.562 -0.067 -4.556 1.00 22.14 O ATOM 0 H GLY A 102 5.725 1.550 -7.316 1.00 53.15 H new ATOM 0 HA2 GLY A 102 4.038 -0.811 -7.290 1.00 22.54 H new ATOM 0 HA3 GLY A 102 5.777 -0.722 -7.482 1.00 22.54 H new ATOM 1584 N PRO A 103 5.902 -1.771 -5.162 1.00 44.23 N ATOM 1585 CA PRO A 103 6.137 -2.231 -3.795 1.00 32.51 C ATOM 1586 C PRO A 103 6.945 -1.225 -2.971 1.00 33.50 C ATOM 1587 O PRO A 103 8.155 -1.081 -3.156 1.00 33.02 O ATOM 1588 CB PRO A 103 6.931 -3.532 -3.979 1.00 52.31 C ATOM 1589 CG PRO A 103 7.562 -3.412 -5.324 1.00 2.32 C ATOM 1590 CD PRO A 103 6.614 -2.597 -6.157 1.00 72.21 C ATOM 0 HA PRO A 103 5.203 -2.362 -3.249 1.00 32.51 H new ATOM 0 HB2 PRO A 103 7.683 -3.649 -3.199 1.00 52.31 H new ATOM 0 HB3 PRO A 103 6.279 -4.403 -3.925 1.00 52.31 H new ATOM 0 HG2 PRO A 103 8.536 -2.928 -5.256 1.00 2.32 H new ATOM 0 HG3 PRO A 103 7.725 -4.394 -5.767 1.00 2.32 H new ATOM 0 HD2 PRO A 103 7.145 -1.982 -6.883 1.00 72.21 H new ATOM 0 HD3 PRO A 103 5.927 -3.230 -6.718 1.00 72.21 H new ATOM 1598 N VAL A 104 6.264 -0.505 -2.098 1.00 13.20 N ATOM 1599 CA VAL A 104 6.923 0.441 -1.220 1.00 62.00 C ATOM 1600 C VAL A 104 7.200 -0.213 0.126 1.00 34.24 C ATOM 1601 O VAL A 104 6.279 -0.453 0.918 1.00 72.13 O ATOM 1602 CB VAL A 104 6.074 1.718 -1.012 1.00 75.25 C ATOM 1603 CG1 VAL A 104 6.799 2.710 -0.115 1.00 60.32 C ATOM 1604 CG2 VAL A 104 5.732 2.358 -2.351 1.00 22.44 C ATOM 0 H VAL A 104 5.252 -0.559 -1.979 1.00 13.20 H new ATOM 0 HA VAL A 104 7.861 0.735 -1.692 1.00 62.00 H new ATOM 0 HB VAL A 104 5.145 1.431 -0.520 1.00 75.25 H new ATOM 0 HG11 VAL A 104 6.183 3.599 0.017 1.00 60.32 H new ATOM 0 HG12 VAL A 104 6.987 2.252 0.856 1.00 60.32 H new ATOM 0 HG13 VAL A 104 7.747 2.990 -0.574 1.00 60.32 H new ATOM 0 HG21 VAL A 104 5.135 3.254 -2.184 1.00 22.44 H new ATOM 0 HG22 VAL A 104 6.651 2.626 -2.871 1.00 22.44 H new ATOM 0 HG23 VAL A 104 5.165 1.652 -2.957 1.00 22.44 H new ATOM 1614 N PHE A 105 8.457 -0.518 0.374 1.00 0.34 N ATOM 1615 CA PHE A 105 8.853 -1.174 1.607 1.00 25.23 C ATOM 1616 C PHE A 105 8.791 -0.210 2.783 1.00 12.43 C ATOM 1617 O PHE A 105 9.559 0.751 2.862 1.00 23.41 O ATOM 1618 CB PHE A 105 10.253 -1.769 1.472 1.00 61.33 C ATOM 1619 CG PHE A 105 10.362 -2.801 0.383 1.00 3.32 C ATOM 1620 CD1 PHE A 105 9.846 -4.074 0.564 1.00 4.44 C ATOM 1621 CD2 PHE A 105 10.976 -2.496 -0.819 1.00 51.24 C ATOM 1622 CE1 PHE A 105 9.941 -5.023 -0.436 1.00 71.32 C ATOM 1623 CE2 PHE A 105 11.073 -3.440 -1.823 1.00 52.43 C ATOM 1624 CZ PHE A 105 10.555 -4.704 -1.631 1.00 25.23 C ATOM 0 H PHE A 105 9.227 -0.321 -0.265 1.00 0.34 H new ATOM 0 HA PHE A 105 8.150 -1.985 1.799 1.00 25.23 H new ATOM 0 HB2 PHE A 105 10.963 -0.966 1.274 1.00 61.33 H new ATOM 0 HB3 PHE A 105 10.540 -2.222 2.421 1.00 61.33 H new ATOM 0 HD1 PHE A 105 9.364 -4.327 1.497 1.00 4.44 H new ATOM 0 HD2 PHE A 105 11.384 -1.508 -0.974 1.00 51.24 H new ATOM 0 HE1 PHE A 105 9.536 -6.012 -0.283 1.00 71.32 H new ATOM 0 HE2 PHE A 105 11.554 -3.189 -2.757 1.00 52.43 H new ATOM 0 HZ PHE A 105 10.630 -5.443 -2.415 1.00 25.23 H new ATOM 1634 N THR A 106 7.862 -0.467 3.681 1.00 42.31 N ATOM 1635 CA THR A 106 7.673 0.359 4.852 1.00 41.33 C ATOM 1636 C THR A 106 7.853 -0.496 6.117 1.00 30.25 C ATOM 1637 O THR A 106 7.924 -1.722 6.031 1.00 51.50 O ATOM 1638 CB THR A 106 6.258 0.986 4.842 1.00 54.43 C ATOM 1639 OG1 THR A 106 5.902 1.327 3.496 1.00 35.22 O ATOM 1640 CG2 THR A 106 6.206 2.246 5.700 1.00 54.31 C ATOM 0 H THR A 106 7.217 -1.255 3.618 1.00 42.31 H new ATOM 0 HA THR A 106 8.412 1.160 4.845 1.00 41.33 H new ATOM 0 HB THR A 106 5.559 0.257 5.251 1.00 54.43 H new ATOM 0 HG1 THR A 106 5.006 1.723 3.485 1.00 35.22 H new ATOM 0 HG21 THR A 106 5.199 2.663 5.673 1.00 54.31 H new ATOM 0 HG22 THR A 106 6.468 1.997 6.728 1.00 54.31 H new ATOM 0 HG23 THR A 106 6.913 2.979 5.313 1.00 54.31 H new ATOM 1648 N ASP A 107 7.924 0.156 7.268 1.00 55.34 N ATOM 1649 CA ASP A 107 8.125 -0.514 8.560 1.00 32.35 C ATOM 1650 C ASP A 107 7.128 -1.656 8.796 1.00 25.33 C ATOM 1651 O ASP A 107 7.516 -2.748 9.206 1.00 63.12 O ATOM 1652 CB ASP A 107 8.031 0.504 9.702 1.00 45.42 C ATOM 1653 CG ASP A 107 9.113 1.564 9.626 1.00 33.11 C ATOM 1654 OD1 ASP A 107 9.122 2.344 8.648 1.00 21.23 O ATOM 1655 OD2 ASP A 107 9.972 1.614 10.535 1.00 33.34 O ATOM 0 H ASP A 107 7.844 1.170 7.340 1.00 55.34 H new ATOM 0 HA ASP A 107 9.121 -0.956 8.537 1.00 32.35 H new ATOM 0 HB2 ASP A 107 7.053 0.985 9.676 1.00 45.42 H new ATOM 0 HB3 ASP A 107 8.104 -0.018 10.656 1.00 45.42 H new ATOM 1660 N SER A 108 5.855 -1.405 8.535 1.00 54.54 N ATOM 1661 CA SER A 108 4.816 -2.408 8.760 1.00 42.22 C ATOM 1662 C SER A 108 4.779 -3.475 7.657 1.00 5.22 C ATOM 1663 O SER A 108 4.197 -4.549 7.835 1.00 44.33 O ATOM 1664 CB SER A 108 3.457 -1.724 8.889 1.00 35.44 C ATOM 1665 OG SER A 108 3.330 -0.660 7.949 1.00 11.23 O ATOM 0 H SER A 108 5.512 -0.517 8.167 1.00 54.54 H new ATOM 0 HA SER A 108 5.056 -2.926 9.689 1.00 42.22 H new ATOM 0 HB2 SER A 108 2.662 -2.453 8.729 1.00 35.44 H new ATOM 0 HB3 SER A 108 3.335 -1.337 9.901 1.00 35.44 H new ATOM 0 HG SER A 108 2.451 -0.238 8.049 1.00 11.23 H new ATOM 1671 N GLY A 109 5.407 -3.185 6.536 1.00 44.30 N ATOM 1672 CA GLY A 109 5.407 -4.115 5.436 1.00 20.52 C ATOM 1673 C GLY A 109 5.401 -3.409 4.109 1.00 23.13 C ATOM 1674 O GLY A 109 5.766 -2.236 4.026 1.00 51.21 O ATOM 0 H GLY A 109 5.919 -2.319 6.367 1.00 44.30 H new ATOM 0 HA2 GLY A 109 6.286 -4.757 5.502 1.00 20.52 H new ATOM 0 HA3 GLY A 109 4.533 -4.763 5.507 1.00 20.52 H new ATOM 1678 N ILE A 110 4.968 -4.096 3.078 1.00 61.31 N ATOM 1679 CA ILE A 110 4.943 -3.525 1.749 1.00 24.15 C ATOM 1680 C ILE A 110 3.635 -2.784 1.514 1.00 34.10 C ATOM 1681 O ILE A 110 2.550 -3.337 1.712 1.00 55.01 O ATOM 1682 CB ILE A 110 5.122 -4.607 0.667 1.00 1.31 C ATOM 1683 CG1 ILE A 110 6.323 -5.497 0.998 1.00 3.41 C ATOM 1684 CG2 ILE A 110 5.305 -3.954 -0.698 1.00 74.22 C ATOM 1685 CD1 ILE A 110 6.501 -6.662 0.051 1.00 22.33 C ATOM 0 H ILE A 110 4.626 -5.056 3.133 1.00 61.31 H new ATOM 0 HA ILE A 110 5.776 -2.825 1.678 1.00 24.15 H new ATOM 0 HB ILE A 110 4.228 -5.230 0.641 1.00 1.31 H new ATOM 0 HG12 ILE A 110 7.228 -4.889 0.985 1.00 3.41 H new ATOM 0 HG13 ILE A 110 6.211 -5.880 2.012 1.00 3.41 H new ATOM 0 HG21 ILE A 110 5.431 -4.726 -1.457 1.00 74.22 H new ATOM 0 HG22 ILE A 110 4.427 -3.353 -0.934 1.00 74.22 H new ATOM 0 HG23 ILE A 110 6.188 -3.315 -0.680 1.00 74.22 H new ATOM 0 HD11 ILE A 110 7.372 -7.245 0.351 1.00 22.33 H new ATOM 0 HD12 ILE A 110 5.613 -7.294 0.081 1.00 22.33 H new ATOM 0 HD13 ILE A 110 6.646 -6.288 -0.962 1.00 22.33 H new ATOM 1697 N HIS A 111 3.741 -1.533 1.117 1.00 43.24 N ATOM 1698 CA HIS A 111 2.575 -0.705 0.862 1.00 64.31 C ATOM 1699 C HIS A 111 2.507 -0.330 -0.609 1.00 24.13 C ATOM 1700 O HIS A 111 3.509 0.053 -1.200 1.00 73.13 O ATOM 1701 CB HIS A 111 2.621 0.590 1.703 1.00 54.14 C ATOM 1702 CG HIS A 111 2.505 0.395 3.192 1.00 53.44 C ATOM 1703 ND1 HIS A 111 1.596 1.083 3.975 1.00 20.23 N ATOM 1704 CD2 HIS A 111 3.209 -0.383 4.046 1.00 40.42 C ATOM 1705 CE1 HIS A 111 1.751 0.736 5.237 1.00 42.31 C ATOM 1706 NE2 HIS A 111 2.719 -0.150 5.307 1.00 53.22 N ATOM 0 H HIS A 111 4.632 -1.061 0.962 1.00 43.24 H new ATOM 0 HA HIS A 111 1.693 -1.282 1.140 1.00 64.31 H new ATOM 0 HB2 HIS A 111 3.557 1.107 1.493 1.00 54.14 H new ATOM 0 HB3 HIS A 111 1.814 1.245 1.375 1.00 54.14 H new ATOM 0 HD2 HIS A 111 4.008 -1.061 3.784 1.00 40.42 H new ATOM 0 HE1 HIS A 111 1.180 1.115 6.071 1.00 42.31 H new ATOM 0 HE2 HIS A 111 3.053 -0.594 6.162 1.00 53.22 H new ATOM 1715 N ILE A 112 1.342 -0.469 -1.196 1.00 70.05 N ATOM 1716 CA ILE A 112 1.122 -0.023 -2.562 1.00 40.13 C ATOM 1717 C ILE A 112 0.392 1.306 -2.499 1.00 3.32 C ATOM 1718 O ILE A 112 -0.659 1.404 -1.865 1.00 1.02 O ATOM 1719 CB ILE A 112 0.275 -1.032 -3.376 1.00 1.14 C ATOM 1720 CG1 ILE A 112 0.854 -2.447 -3.254 1.00 21.12 C ATOM 1721 CG2 ILE A 112 0.219 -0.608 -4.842 1.00 21.22 C ATOM 1722 CD1 ILE A 112 0.034 -3.507 -3.965 1.00 70.51 C ATOM 0 H ILE A 112 0.525 -0.888 -0.752 1.00 70.05 H new ATOM 0 HA ILE A 112 2.086 0.068 -3.063 1.00 40.13 H new ATOM 0 HB ILE A 112 -0.737 -1.040 -2.972 1.00 1.14 H new ATOM 0 HG12 ILE A 112 1.866 -2.452 -3.659 1.00 21.12 H new ATOM 0 HG13 ILE A 112 0.932 -2.708 -2.199 1.00 21.12 H new ATOM 0 HG21 ILE A 112 -0.379 -1.324 -5.405 1.00 21.22 H new ATOM 0 HG22 ILE A 112 -0.233 0.381 -4.918 1.00 21.22 H new ATOM 0 HG23 ILE A 112 1.229 -0.578 -5.251 1.00 21.22 H new ATOM 0 HD11 ILE A 112 0.506 -4.481 -3.834 1.00 70.51 H new ATOM 0 HD12 ILE A 112 -0.971 -3.532 -3.545 1.00 70.51 H new ATOM 0 HD13 ILE A 112 -0.022 -3.271 -5.028 1.00 70.51 H new ATOM 1734 N ILE A 113 0.948 2.324 -3.119 1.00 75.33 N ATOM 1735 CA ILE A 113 0.369 3.658 -3.031 1.00 5.04 C ATOM 1736 C ILE A 113 -0.181 4.114 -4.379 1.00 75.23 C ATOM 1737 O ILE A 113 0.490 3.992 -5.404 1.00 54.14 O ATOM 1738 CB ILE A 113 1.413 4.683 -2.539 1.00 30.12 C ATOM 1739 CG1 ILE A 113 2.206 4.108 -1.362 1.00 52.33 C ATOM 1740 CG2 ILE A 113 0.724 5.979 -2.125 1.00 14.00 C ATOM 1741 CD1 ILE A 113 3.361 4.977 -0.924 1.00 74.20 C ATOM 0 H ILE A 113 1.793 2.261 -3.686 1.00 75.33 H new ATOM 0 HA ILE A 113 -0.450 3.604 -2.313 1.00 5.04 H new ATOM 0 HB ILE A 113 2.103 4.898 -3.355 1.00 30.12 H new ATOM 0 HG12 ILE A 113 1.532 3.963 -0.518 1.00 52.33 H new ATOM 0 HG13 ILE A 113 2.587 3.125 -1.638 1.00 52.33 H new ATOM 0 HG21 ILE A 113 1.471 6.694 -1.780 1.00 14.00 H new ATOM 0 HG22 ILE A 113 0.190 6.396 -2.979 1.00 14.00 H new ATOM 0 HG23 ILE A 113 0.018 5.775 -1.320 1.00 14.00 H new ATOM 0 HD11 ILE A 113 3.875 4.505 -0.087 1.00 74.20 H new ATOM 0 HD12 ILE A 113 4.057 5.102 -1.753 1.00 74.20 H new ATOM 0 HD13 ILE A 113 2.986 5.953 -0.615 1.00 74.20 H new ATOM 1753 N LEU A 114 -1.395 4.638 -4.367 1.00 35.25 N ATOM 1754 CA LEU A 114 -2.035 5.120 -5.581 1.00 64.43 C ATOM 1755 C LEU A 114 -2.658 6.496 -5.333 1.00 43.23 C ATOM 1756 O LEU A 114 -3.358 6.698 -4.341 1.00 22.21 O ATOM 1757 CB LEU A 114 -3.098 4.102 -6.052 1.00 3.51 C ATOM 1758 CG LEU A 114 -3.710 4.327 -7.451 1.00 4.30 C ATOM 1759 CD1 LEU A 114 -4.277 3.027 -7.990 1.00 52.12 C ATOM 1760 CD2 LEU A 114 -4.807 5.379 -7.404 1.00 24.43 C ATOM 0 H LEU A 114 -1.961 4.741 -3.525 1.00 35.25 H new ATOM 0 HA LEU A 114 -1.289 5.224 -6.369 1.00 64.43 H new ATOM 0 HB2 LEU A 114 -2.648 3.109 -6.034 1.00 3.51 H new ATOM 0 HB3 LEU A 114 -3.909 4.097 -5.324 1.00 3.51 H new ATOM 0 HG LEU A 114 -2.918 4.680 -8.111 1.00 4.30 H new ATOM 0 HD11 LEU A 114 -4.706 3.199 -8.977 1.00 52.12 H new ATOM 0 HD12 LEU A 114 -3.481 2.286 -8.064 1.00 52.12 H new ATOM 0 HD13 LEU A 114 -5.052 2.661 -7.316 1.00 52.12 H new ATOM 0 HD21 LEU A 114 -5.221 5.518 -8.403 1.00 24.43 H new ATOM 0 HD22 LEU A 114 -5.596 5.052 -6.726 1.00 24.43 H new ATOM 0 HD23 LEU A 114 -4.392 6.322 -7.049 1.00 24.43 H new ATOM 1772 N ARG A 115 -2.387 7.433 -6.227 1.00 24.41 N ATOM 1773 CA ARG A 115 -2.925 8.786 -6.122 1.00 52.02 C ATOM 1774 C ARG A 115 -3.796 9.094 -7.334 1.00 42.05 C ATOM 1775 O ARG A 115 -3.378 8.884 -8.468 1.00 41.11 O ATOM 1776 CB ARG A 115 -1.783 9.806 -6.028 1.00 43.42 C ATOM 1777 CG ARG A 115 -2.247 11.252 -5.957 1.00 25.53 C ATOM 1778 CD ARG A 115 -1.075 12.218 -5.932 1.00 23.12 C ATOM 1779 NE ARG A 115 -1.527 13.609 -5.904 1.00 24.13 N ATOM 1780 CZ ARG A 115 -0.743 14.675 -6.049 1.00 62.21 C ATOM 1781 NH1 ARG A 115 0.554 14.534 -6.300 1.00 31.34 N ATOM 1782 NH2 ARG A 115 -1.268 15.883 -5.975 1.00 64.32 N ATOM 0 H ARG A 115 -1.792 7.282 -7.042 1.00 24.41 H new ATOM 0 HA ARG A 115 -3.532 8.853 -5.219 1.00 52.02 H new ATOM 0 HB2 ARG A 115 -1.184 9.584 -5.145 1.00 43.42 H new ATOM 0 HB3 ARG A 115 -1.131 9.687 -6.894 1.00 43.42 H new ATOM 0 HG2 ARG A 115 -2.882 11.473 -6.815 1.00 25.53 H new ATOM 0 HG3 ARG A 115 -2.856 11.395 -5.064 1.00 25.53 H new ATOM 0 HD2 ARG A 115 -0.456 12.018 -5.058 1.00 23.12 H new ATOM 0 HD3 ARG A 115 -0.449 12.055 -6.810 1.00 23.12 H new ATOM 0 HE ARG A 115 -2.523 13.776 -5.762 1.00 24.13 H new ATOM 0 HH11 ARG A 115 0.959 13.602 -6.384 1.00 31.34 H new ATOM 0 HH12 ARG A 115 1.145 15.358 -6.409 1.00 31.34 H new ATOM 0 HH21 ARG A 115 -2.268 15.995 -5.808 1.00 64.32 H new ATOM 0 HH22 ARG A 115 -0.674 16.705 -6.085 1.00 64.32 H new ATOM 1796 N THR A 116 -4.997 9.590 -7.096 1.00 4.21 N ATOM 1797 CA THR A 116 -5.921 9.900 -8.180 1.00 42.20 C ATOM 1798 C THR A 116 -6.196 11.396 -8.281 1.00 51.22 C ATOM 1799 O THR A 116 -6.961 11.838 -9.138 1.00 22.44 O ATOM 1800 CB THR A 116 -7.251 9.143 -8.013 1.00 60.20 C ATOM 1801 OG1 THR A 116 -7.564 8.998 -6.612 1.00 0.24 O ATOM 1802 CG2 THR A 116 -7.182 7.775 -8.669 1.00 74.11 C ATOM 0 H THR A 116 -5.358 9.788 -6.163 1.00 4.21 H new ATOM 0 HA THR A 116 -5.439 9.575 -9.102 1.00 42.20 H new ATOM 0 HB THR A 116 -8.036 9.721 -8.501 1.00 60.20 H new ATOM 0 HG1 THR A 116 -7.107 9.698 -6.101 1.00 0.24 H new ATOM 0 HG21 THR A 116 -8.134 7.260 -8.537 1.00 74.11 H new ATOM 0 HG22 THR A 116 -6.977 7.892 -9.733 1.00 74.11 H new ATOM 0 HG23 THR A 116 -6.386 7.190 -8.208 1.00 74.11 H new ATOM 1810 N GLU A 117 -5.571 12.159 -7.413 1.00 22.24 N ATOM 1811 CA GLU A 117 -5.758 13.591 -7.381 1.00 5.30 C ATOM 1812 C GLU A 117 -4.433 14.306 -7.129 1.00 41.41 C ATOM 1813 O GLU A 117 -3.757 14.667 -8.112 1.00 0.00 O ATOM 1814 CB GLU A 117 -6.816 13.987 -6.325 1.00 22.21 C ATOM 1815 CG GLU A 117 -6.687 13.271 -4.970 1.00 11.33 C ATOM 1816 CD GLU A 117 -7.250 11.855 -4.979 1.00 21.52 C ATOM 1817 OE1 GLU A 117 -8.483 11.704 -4.860 1.00 33.00 O ATOM 1818 OE2 GLU A 117 -6.463 10.891 -5.093 1.00 23.21 O ATOM 1819 OXT GLU A 117 -4.061 14.488 -5.951 1.00 0.00 O ATOM 0 H GLU A 117 -4.921 11.805 -6.711 1.00 22.24 H new ATOM 0 HA GLU A 117 -6.128 13.906 -8.357 1.00 5.30 H new ATOM 0 HB2 GLU A 117 -6.754 15.062 -6.157 1.00 22.21 H new ATOM 0 HB3 GLU A 117 -7.807 13.784 -6.732 1.00 22.21 H new ATOM 0 HG2 GLU A 117 -5.635 13.234 -4.685 1.00 11.33 H new ATOM 0 HG3 GLU A 117 -7.203 13.855 -4.208 1.00 11.33 H new