USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 848 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 12 LYS NZ :NH3+ 179:sc= 1.19 (180deg=0) USER MOD Set 1.2: A 89 HIS : no HD1:sc= -0.384! K(o=0.81!,f=-3.7) USER MOD Set 2.1: A 29 TYR OH : rot -5:sc= 1.04 USER MOD Set 2.2: A 80 ASN : amide:sc= -2.51 K(o=0.6,f=-2.9!) USER MOD Set 2.3: A 97 THR OG1 : rot 114:sc= 2.07 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -139:sc= 0.178 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -2.05! C(o=-2.1!,f=-8.9!) USER MOD Single : A 39 ASN : amide:sc= -0.0351 K(o=-0.035,f=-1.7!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -84:sc= 0.437 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot -140:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -154:sc= -0.19 (180deg=-0.882) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0285 X(o=-0.028,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 77:sc= 0.675 USER MOD Single : A 81 THR OG1 : rot 76:sc= 0.216 USER MOD Single : A 83 CYS SG : rot 120:sc= -0.669 USER MOD Single : A 87 CYS SG : rot 88:sc= 0.00019 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.00635) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 107 HIS : no HD1:sc= 0.503 K(o=0.5,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 67 N VAL A 7 7.249 3.001 -12.878 1.00 22.52 N ATOM 68 CA VAL A 7 8.198 3.733 -13.707 1.00 60.22 C ATOM 69 C VAL A 7 9.632 3.481 -13.255 1.00 55.40 C ATOM 70 O VAL A 7 10.535 3.320 -14.078 1.00 20.05 O ATOM 71 CB VAL A 7 7.919 5.247 -13.675 1.00 73.04 C ATOM 72 CG1 VAL A 7 8.818 5.976 -14.662 1.00 53.43 C ATOM 73 CG2 VAL A 7 6.453 5.526 -13.970 1.00 62.31 C ATOM 0 HA VAL A 7 8.073 3.370 -14.727 1.00 60.22 H new ATOM 0 HB VAL A 7 8.141 5.618 -12.675 1.00 73.04 H new ATOM 0 HG11 VAL A 7 8.607 7.045 -14.626 1.00 53.43 H new ATOM 0 HG12 VAL A 7 9.862 5.803 -14.400 1.00 53.43 H new ATOM 0 HG13 VAL A 7 8.630 5.603 -15.669 1.00 53.43 H new ATOM 0 HG21 VAL A 7 6.275 6.601 -13.943 1.00 62.31 H new ATOM 0 HG22 VAL A 7 6.201 5.141 -14.958 1.00 62.31 H new ATOM 0 HG23 VAL A 7 5.831 5.036 -13.220 1.00 62.31 H new ATOM 83 N LEU A 8 9.835 3.448 -11.944 1.00 3.55 N ATOM 84 CA LEU A 8 11.160 3.215 -11.379 1.00 65.45 C ATOM 85 C LEU A 8 11.131 2.069 -10.374 1.00 21.23 C ATOM 86 O LEU A 8 10.310 2.056 -9.456 1.00 64.44 O ATOM 87 CB LEU A 8 11.680 4.486 -10.706 1.00 65.13 C ATOM 88 CG LEU A 8 11.996 5.657 -11.637 1.00 10.35 C ATOM 89 CD1 LEU A 8 12.297 6.912 -10.833 1.00 2.15 C ATOM 90 CD2 LEU A 8 13.164 5.314 -12.549 1.00 41.22 C ATOM 0 H LEU A 8 9.099 3.580 -11.251 1.00 3.55 H new ATOM 0 HA LEU A 8 11.831 2.942 -12.193 1.00 65.45 H new ATOM 0 HB2 LEU A 8 10.939 4.817 -9.978 1.00 65.13 H new ATOM 0 HB3 LEU A 8 12.584 4.235 -10.150 1.00 65.13 H new ATOM 0 HG LEU A 8 11.121 5.848 -12.257 1.00 10.35 H new ATOM 0 HD11 LEU A 8 12.520 7.735 -11.512 1.00 2.15 H new ATOM 0 HD12 LEU A 8 11.431 7.169 -10.223 1.00 2.15 H new ATOM 0 HD13 LEU A 8 13.156 6.733 -10.187 1.00 2.15 H new ATOM 0 HD21 LEU A 8 13.374 6.159 -13.204 1.00 41.22 H new ATOM 0 HD22 LEU A 8 14.045 5.095 -11.945 1.00 41.22 H new ATOM 0 HD23 LEU A 8 12.911 4.442 -13.152 1.00 41.22 H new ATOM 102 N ARG A 9 12.033 1.109 -10.552 1.00 2.32 N ATOM 103 CA ARG A 9 12.111 -0.042 -9.659 1.00 54.42 C ATOM 104 C ARG A 9 12.891 0.305 -8.395 1.00 24.45 C ATOM 105 O ARG A 9 13.176 1.471 -8.128 1.00 0.33 O ATOM 106 CB ARG A 9 12.772 -1.223 -10.372 1.00 71.12 C ATOM 107 CG ARG A 9 14.215 -0.963 -10.772 1.00 63.42 C ATOM 108 CD ARG A 9 14.671 -1.921 -11.862 1.00 43.31 C ATOM 109 NE ARG A 9 15.361 -3.085 -11.313 1.00 41.31 N ATOM 110 CZ ARG A 9 15.666 -4.163 -12.028 1.00 21.13 C ATOM 111 NH1 ARG A 9 15.343 -4.224 -13.312 1.00 51.02 N ATOM 112 NH2 ARG A 9 16.295 -5.183 -11.456 1.00 54.15 N ATOM 0 H ARG A 9 12.720 1.105 -11.306 1.00 2.32 H new ATOM 0 HA ARG A 9 11.096 -0.321 -9.375 1.00 54.42 H new ATOM 0 HB2 ARG A 9 12.736 -2.096 -9.720 1.00 71.12 H new ATOM 0 HB3 ARG A 9 12.195 -1.467 -11.264 1.00 71.12 H new ATOM 0 HG2 ARG A 9 14.317 0.064 -11.122 1.00 63.42 H new ATOM 0 HG3 ARG A 9 14.860 -1.068 -9.900 1.00 63.42 H new ATOM 0 HD2 ARG A 9 13.807 -2.250 -12.440 1.00 43.31 H new ATOM 0 HD3 ARG A 9 15.334 -1.398 -12.551 1.00 43.31 H new ATOM 0 HE ARG A 9 15.623 -3.070 -10.327 1.00 41.31 H new ATOM 0 HH11 ARG A 9 14.859 -3.442 -13.754 1.00 51.02 H new ATOM 0 HH12 ARG A 9 15.578 -5.053 -13.858 1.00 51.02 H new ATOM 0 HH21 ARG A 9 16.544 -5.139 -10.468 1.00 54.15 H new ATOM 0 HH22 ARG A 9 16.529 -6.010 -12.005 1.00 54.15 H new ATOM 126 N GLY A 10 13.234 -0.720 -7.618 1.00 32.21 N ATOM 127 CA GLY A 10 13.977 -0.504 -6.390 1.00 15.32 C ATOM 128 C GLY A 10 15.380 0.010 -6.644 1.00 62.31 C ATOM 129 O GLY A 10 15.855 0.910 -5.952 1.00 0.12 O ATOM 0 H GLY A 10 13.010 -1.695 -7.818 1.00 32.21 H new ATOM 0 HA2 GLY A 10 13.440 0.209 -5.765 1.00 15.32 H new ATOM 0 HA3 GLY A 10 14.031 -1.439 -5.833 1.00 15.32 H new ATOM 133 N LYS A 11 16.047 -0.565 -7.639 1.00 53.13 N ATOM 134 CA LYS A 11 17.405 -0.161 -7.985 1.00 13.35 C ATOM 135 C LYS A 11 17.407 1.188 -8.696 1.00 20.03 C ATOM 136 O LYS A 11 18.405 1.910 -8.678 1.00 22.31 O ATOM 137 CB LYS A 11 18.063 -1.219 -8.872 1.00 52.52 C ATOM 138 CG LYS A 11 19.562 -1.345 -8.659 1.00 73.12 C ATOM 139 CD LYS A 11 19.894 -2.453 -7.673 1.00 33.10 C ATOM 140 CE LYS A 11 20.206 -3.759 -8.388 1.00 35.12 C ATOM 141 NZ LYS A 11 19.042 -4.688 -8.379 1.00 14.41 N ATOM 0 H LYS A 11 15.669 -1.313 -8.221 1.00 53.13 H new ATOM 0 HA LYS A 11 17.975 -0.065 -7.061 1.00 13.35 H new ATOM 0 HB2 LYS A 11 17.595 -2.184 -8.680 1.00 52.52 H new ATOM 0 HB3 LYS A 11 17.872 -0.975 -9.917 1.00 52.52 H new ATOM 0 HG2 LYS A 11 20.050 -1.547 -9.612 1.00 73.12 H new ATOM 0 HG3 LYS A 11 19.959 -0.399 -8.292 1.00 73.12 H new ATOM 0 HD2 LYS A 11 20.749 -2.157 -7.065 1.00 33.10 H new ATOM 0 HD3 LYS A 11 19.055 -2.600 -6.993 1.00 33.10 H new ATOM 0 HE2 LYS A 11 20.495 -3.549 -9.418 1.00 35.12 H new ATOM 0 HE3 LYS A 11 21.059 -4.240 -7.909 1.00 35.12 H new ATOM 0 HZ1 LYS A 11 19.295 -5.566 -8.876 1.00 14.41 H new ATOM 0 HZ2 LYS A 11 18.782 -4.909 -7.397 1.00 14.41 H new ATOM 0 HZ3 LYS A 11 18.236 -4.239 -8.858 1.00 14.41 H new ATOM 155 N LYS A 12 16.284 1.525 -9.320 1.00 1.00 N ATOM 156 CA LYS A 12 16.154 2.788 -10.036 1.00 51.02 C ATOM 157 C LYS A 12 15.755 3.913 -9.086 1.00 35.13 C ATOM 158 O LYS A 12 16.261 5.031 -9.184 1.00 44.13 O ATOM 159 CB LYS A 12 15.119 2.661 -11.156 1.00 11.23 C ATOM 160 CG LYS A 12 15.619 1.883 -12.360 1.00 42.43 C ATOM 161 CD LYS A 12 14.578 1.839 -13.466 1.00 60.05 C ATOM 162 CE LYS A 12 15.110 1.131 -14.704 1.00 22.12 C ATOM 163 NZ LYS A 12 14.209 1.312 -15.876 1.00 24.33 N ATOM 0 H LYS A 12 15.449 0.940 -9.344 1.00 1.00 H new ATOM 0 HA LYS A 12 17.123 3.030 -10.472 1.00 51.02 H new ATOM 0 HB2 LYS A 12 14.228 2.172 -10.762 1.00 11.23 H new ATOM 0 HB3 LYS A 12 14.819 3.659 -11.477 1.00 11.23 H new ATOM 0 HG2 LYS A 12 16.533 2.342 -12.737 1.00 42.43 H new ATOM 0 HG3 LYS A 12 15.874 0.867 -12.058 1.00 42.43 H new ATOM 0 HD2 LYS A 12 13.686 1.326 -13.107 1.00 60.05 H new ATOM 0 HD3 LYS A 12 14.279 2.854 -13.726 1.00 60.05 H new ATOM 0 HE2 LYS A 12 16.101 1.516 -14.945 1.00 22.12 H new ATOM 0 HE3 LYS A 12 15.223 0.067 -14.494 1.00 22.12 H new ATOM 0 HZ1 LYS A 12 14.614 0.829 -16.703 1.00 24.33 H new ATOM 0 HZ2 LYS A 12 13.275 0.907 -15.662 1.00 24.33 H new ATOM 0 HZ3 LYS A 12 14.107 2.326 -16.082 1.00 24.33 H new ATOM 177 N ALA A 13 14.845 3.610 -8.166 1.00 21.53 N ATOM 178 CA ALA A 13 14.381 4.594 -7.196 1.00 11.50 C ATOM 179 C ALA A 13 15.556 5.279 -6.505 1.00 32.32 C ATOM 180 O ALA A 13 15.528 6.486 -6.263 1.00 24.23 O ATOM 181 CB ALA A 13 13.473 3.936 -6.170 1.00 32.54 C ATOM 0 H ALA A 13 14.414 2.690 -8.072 1.00 21.53 H new ATOM 0 HA ALA A 13 13.813 5.356 -7.731 1.00 11.50 H new ATOM 0 HB1 ALA A 13 13.134 4.683 -5.452 1.00 32.54 H new ATOM 0 HB2 ALA A 13 12.611 3.500 -6.674 1.00 32.54 H new ATOM 0 HB3 ALA A 13 14.022 3.153 -5.647 1.00 32.54 H new ATOM 187 N ASP A 14 16.585 4.501 -6.188 1.00 32.52 N ATOM 188 CA ASP A 14 17.769 5.032 -5.523 1.00 55.51 C ATOM 189 C ASP A 14 18.415 6.130 -6.363 1.00 2.25 C ATOM 190 O ASP A 14 18.546 7.269 -5.917 1.00 33.24 O ATOM 191 CB ASP A 14 18.777 3.914 -5.260 1.00 24.12 C ATOM 192 CG ASP A 14 19.092 3.753 -3.785 1.00 75.53 C ATOM 193 OD1 ASP A 14 18.355 3.015 -3.099 1.00 70.21 O ATOM 194 OD2 ASP A 14 20.074 4.367 -3.317 1.00 13.12 O ATOM 0 H ASP A 14 16.623 3.500 -6.381 1.00 32.52 H new ATOM 0 HA ASP A 14 17.460 5.462 -4.570 1.00 55.51 H new ATOM 0 HB2 ASP A 14 18.383 2.975 -5.649 1.00 24.12 H new ATOM 0 HB3 ASP A 14 19.698 4.124 -5.804 1.00 24.12 H new ATOM 199 N GLU A 15 18.819 5.777 -7.579 1.00 1.44 N ATOM 200 CA GLU A 15 19.455 6.733 -8.479 1.00 24.03 C ATOM 201 C GLU A 15 18.667 8.038 -8.530 1.00 11.22 C ATOM 202 O GLU A 15 19.242 9.119 -8.673 1.00 43.03 O ATOM 203 CB GLU A 15 19.574 6.141 -9.885 1.00 12.22 C ATOM 204 CG GLU A 15 20.873 6.499 -10.588 1.00 21.12 C ATOM 205 CD GLU A 15 22.003 5.546 -10.247 1.00 14.12 C ATOM 206 OE1 GLU A 15 21.782 4.318 -10.310 1.00 14.44 O ATOM 207 OE2 GLU A 15 23.107 6.028 -9.918 1.00 51.21 O ATOM 0 H GLU A 15 18.718 4.838 -7.964 1.00 1.44 H new ATOM 0 HA GLU A 15 20.453 6.946 -8.096 1.00 24.03 H new ATOM 0 HB2 GLU A 15 19.492 5.056 -9.821 1.00 12.22 H new ATOM 0 HB3 GLU A 15 18.736 6.489 -10.489 1.00 12.22 H new ATOM 0 HG2 GLU A 15 20.712 6.494 -11.666 1.00 21.12 H new ATOM 0 HG3 GLU A 15 21.163 7.513 -10.313 1.00 21.12 H new ATOM 214 N LEU A 16 17.348 7.932 -8.413 1.00 50.23 N ATOM 215 CA LEU A 16 16.479 9.103 -8.447 1.00 2.33 C ATOM 216 C LEU A 16 16.745 10.013 -7.251 1.00 62.10 C ATOM 217 O LEU A 16 17.041 11.196 -7.414 1.00 32.24 O ATOM 218 CB LEU A 16 15.011 8.675 -8.460 1.00 25.52 C ATOM 219 CG LEU A 16 13.994 9.770 -8.781 1.00 11.43 C ATOM 220 CD1 LEU A 16 13.821 10.702 -7.591 1.00 53.14 C ATOM 221 CD2 LEU A 16 14.423 10.551 -10.015 1.00 35.33 C ATOM 0 H LEU A 16 16.857 7.046 -8.294 1.00 50.23 H new ATOM 0 HA LEU A 16 16.696 9.659 -9.359 1.00 2.33 H new ATOM 0 HB2 LEU A 16 14.894 7.873 -9.189 1.00 25.52 H new ATOM 0 HB3 LEU A 16 14.767 8.256 -7.484 1.00 25.52 H new ATOM 0 HG LEU A 16 13.034 9.298 -8.990 1.00 11.43 H new ATOM 0 HD11 LEU A 16 13.093 11.475 -7.837 1.00 53.14 H new ATOM 0 HD12 LEU A 16 13.468 10.133 -6.731 1.00 53.14 H new ATOM 0 HD13 LEU A 16 14.777 11.167 -7.351 1.00 53.14 H new ATOM 0 HD21 LEU A 16 13.687 11.326 -10.229 1.00 35.33 H new ATOM 0 HD22 LEU A 16 15.394 11.012 -9.834 1.00 35.33 H new ATOM 0 HD23 LEU A 16 14.495 9.875 -10.867 1.00 35.33 H new ATOM 233 N GLU A 17 16.640 9.450 -6.052 1.00 32.33 N ATOM 234 CA GLU A 17 16.870 10.210 -4.829 1.00 34.23 C ATOM 235 C GLU A 17 18.293 10.758 -4.789 1.00 55.21 C ATOM 236 O GLU A 17 18.576 11.727 -4.084 1.00 12.41 O ATOM 237 CB GLU A 17 16.615 9.332 -3.601 1.00 14.22 C ATOM 238 CG GLU A 17 16.424 10.123 -2.317 1.00 40.25 C ATOM 239 CD GLU A 17 16.139 9.235 -1.122 1.00 2.31 C ATOM 240 OE1 GLU A 17 17.013 8.412 -0.774 1.00 63.40 O ATOM 241 OE2 GLU A 17 15.045 9.361 -0.535 1.00 0.42 O ATOM 0 H GLU A 17 16.397 8.471 -5.901 1.00 32.33 H new ATOM 0 HA GLU A 17 16.175 11.050 -4.817 1.00 34.23 H new ATOM 0 HB2 GLU A 17 15.729 8.723 -3.778 1.00 14.22 H new ATOM 0 HB3 GLU A 17 17.453 8.646 -3.474 1.00 14.22 H new ATOM 0 HG2 GLU A 17 17.320 10.713 -2.121 1.00 40.25 H new ATOM 0 HG3 GLU A 17 15.601 10.826 -2.447 1.00 40.25 H new ATOM 248 N ARG A 18 19.183 10.133 -5.552 1.00 4.02 N ATOM 249 CA ARG A 18 20.578 10.556 -5.603 1.00 13.12 C ATOM 250 C ARG A 18 20.730 11.826 -6.436 1.00 72.02 C ATOM 251 O ARG A 18 21.582 12.668 -6.152 1.00 74.33 O ATOM 252 CB ARG A 18 21.450 9.443 -6.185 1.00 43.22 C ATOM 253 CG ARG A 18 22.892 9.486 -5.706 1.00 30.40 C ATOM 254 CD ARG A 18 23.019 8.980 -4.277 1.00 73.15 C ATOM 255 NE ARG A 18 23.036 10.074 -3.310 1.00 24.24 N ATOM 256 CZ ARG A 18 23.215 9.898 -2.005 1.00 73.41 C ATOM 257 NH1 ARG A 18 23.390 8.679 -1.515 1.00 30.54 N ATOM 258 NH2 ARG A 18 23.218 10.943 -1.187 1.00 42.22 N ATOM 0 H ARG A 18 18.963 9.332 -6.144 1.00 4.02 H new ATOM 0 HA ARG A 18 20.905 10.768 -4.585 1.00 13.12 H new ATOM 0 HB2 ARG A 18 21.017 8.478 -5.921 1.00 43.22 H new ATOM 0 HB3 ARG A 18 21.435 9.512 -7.273 1.00 43.22 H new ATOM 0 HG2 ARG A 18 23.514 8.880 -6.365 1.00 30.40 H new ATOM 0 HG3 ARG A 18 23.266 10.508 -5.766 1.00 30.40 H new ATOM 0 HD2 ARG A 18 22.188 8.311 -4.054 1.00 73.15 H new ATOM 0 HD3 ARG A 18 23.934 8.395 -4.179 1.00 73.15 H new ATOM 0 HE ARG A 18 22.903 11.025 -3.655 1.00 24.24 H new ATOM 0 HH11 ARG A 18 23.388 7.873 -2.140 1.00 30.54 H new ATOM 0 HH12 ARG A 18 23.527 8.547 -0.513 1.00 30.54 H new ATOM 0 HH21 ARG A 18 23.083 11.883 -1.560 1.00 42.22 H new ATOM 0 HH22 ARG A 18 23.355 10.806 -0.186 1.00 42.22 H new ATOM 272 N ILE A 19 19.899 11.954 -7.465 1.00 53.33 N ATOM 273 CA ILE A 19 19.941 13.121 -8.338 1.00 42.23 C ATOM 274 C ILE A 19 19.478 14.375 -7.604 1.00 44.11 C ATOM 275 O ILE A 19 18.436 14.374 -6.949 1.00 25.41 O ATOM 276 CB ILE A 19 19.064 12.919 -9.589 1.00 4.11 C ATOM 277 CG1 ILE A 19 19.545 11.703 -10.384 1.00 71.54 C ATOM 278 CG2 ILE A 19 19.086 14.168 -10.458 1.00 73.11 C ATOM 279 CD1 ILE A 19 18.420 10.911 -11.015 1.00 33.15 C ATOM 0 H ILE A 19 19.189 11.265 -7.714 1.00 53.33 H new ATOM 0 HA ILE A 19 20.979 13.247 -8.647 1.00 42.23 H new ATOM 0 HB ILE A 19 18.037 12.739 -9.270 1.00 4.11 H new ATOM 0 HG12 ILE A 19 20.227 12.037 -11.166 1.00 71.54 H new ATOM 0 HG13 ILE A 19 20.113 11.048 -9.723 1.00 71.54 H new ATOM 0 HG21 ILE A 19 18.462 14.010 -11.338 1.00 73.11 H new ATOM 0 HG22 ILE A 19 18.702 15.014 -9.888 1.00 73.11 H new ATOM 0 HG23 ILE A 19 20.109 14.375 -10.771 1.00 73.11 H new ATOM 0 HD11 ILE A 19 18.834 10.064 -11.562 1.00 33.15 H new ATOM 0 HD12 ILE A 19 17.750 10.547 -10.236 1.00 33.15 H new ATOM 0 HD13 ILE A 19 17.865 11.551 -11.701 1.00 33.15 H new ATOM 291 N ARG A 20 20.259 15.444 -7.721 1.00 20.14 N ATOM 292 CA ARG A 20 19.929 16.706 -7.069 1.00 23.41 C ATOM 293 C ARG A 20 19.108 17.598 -7.994 1.00 62.24 C ATOM 294 O ARG A 20 19.398 17.709 -9.186 1.00 42.20 O ATOM 295 CB ARG A 20 21.206 17.432 -6.643 1.00 35.12 C ATOM 296 CG ARG A 20 22.041 16.658 -5.635 1.00 13.10 C ATOM 297 CD ARG A 20 22.644 17.580 -4.586 1.00 61.35 C ATOM 298 NE ARG A 20 24.037 17.906 -4.881 1.00 32.02 N ATOM 299 CZ ARG A 20 24.867 18.447 -3.997 1.00 52.45 C ATOM 300 NH1 ARG A 20 24.448 18.721 -2.770 1.00 14.53 N ATOM 301 NH2 ARG A 20 26.120 18.715 -4.340 1.00 44.23 N ATOM 0 H ARG A 20 21.124 15.462 -8.261 1.00 20.14 H new ATOM 0 HA ARG A 20 19.332 16.484 -6.184 1.00 23.41 H new ATOM 0 HB2 ARG A 20 21.812 17.632 -7.527 1.00 35.12 H new ATOM 0 HB3 ARG A 20 20.939 18.398 -6.215 1.00 35.12 H new ATOM 0 HG2 ARG A 20 21.420 15.907 -5.147 1.00 13.10 H new ATOM 0 HG3 ARG A 20 22.838 16.125 -6.154 1.00 13.10 H new ATOM 0 HD2 ARG A 20 22.060 18.499 -4.532 1.00 61.35 H new ATOM 0 HD3 ARG A 20 22.582 17.105 -3.607 1.00 61.35 H new ATOM 0 HE ARG A 20 24.391 17.707 -5.817 1.00 32.02 H new ATOM 0 HH11 ARG A 20 23.485 18.516 -2.502 1.00 14.53 H new ATOM 0 HH12 ARG A 20 25.088 19.137 -2.093 1.00 14.53 H new ATOM 0 HH21 ARG A 20 26.446 18.506 -5.283 1.00 44.23 H new ATOM 0 HH22 ARG A 20 26.757 19.131 -3.660 1.00 44.23 H new ATOM 315 N LEU A 21 18.081 18.231 -7.439 1.00 31.20 N ATOM 316 CA LEU A 21 17.216 19.113 -8.215 1.00 50.21 C ATOM 317 C LEU A 21 18.017 20.253 -8.837 1.00 3.10 C ATOM 318 O LEU A 21 17.764 20.656 -9.971 1.00 73.33 O ATOM 319 CB LEU A 21 16.105 19.681 -7.328 1.00 63.22 C ATOM 320 CG LEU A 21 14.906 18.764 -7.088 1.00 74.41 C ATOM 321 CD1 LEU A 21 13.949 19.390 -6.085 1.00 75.10 C ATOM 322 CD2 LEU A 21 14.189 18.469 -8.398 1.00 23.13 C ATOM 0 H LEU A 21 17.827 18.150 -6.455 1.00 31.20 H new ATOM 0 HA LEU A 21 16.769 18.527 -9.018 1.00 50.21 H new ATOM 0 HB2 LEU A 21 16.536 19.943 -6.362 1.00 63.22 H new ATOM 0 HB3 LEU A 21 15.745 20.606 -7.778 1.00 63.22 H new ATOM 0 HG LEU A 21 15.269 17.823 -6.676 1.00 74.41 H new ATOM 0 HD11 LEU A 21 13.101 18.724 -5.926 1.00 75.10 H new ATOM 0 HD12 LEU A 21 14.467 19.550 -5.139 1.00 75.10 H new ATOM 0 HD13 LEU A 21 13.592 20.345 -6.470 1.00 75.10 H new ATOM 0 HD21 LEU A 21 13.338 17.815 -8.208 1.00 23.13 H new ATOM 0 HD22 LEU A 21 13.838 19.402 -8.839 1.00 23.13 H new ATOM 0 HD23 LEU A 21 14.877 17.979 -9.087 1.00 23.13 H new ATOM 334 N ARG A 22 18.987 20.765 -8.086 1.00 41.31 N ATOM 335 CA ARG A 22 19.827 21.856 -8.564 1.00 12.42 C ATOM 336 C ARG A 22 21.305 21.499 -8.442 1.00 1.33 C ATOM 337 O ARG A 22 21.693 20.602 -7.693 1.00 35.32 O ATOM 338 CB ARG A 22 19.534 23.136 -7.778 1.00 33.13 C ATOM 339 CG ARG A 22 18.489 24.027 -8.431 1.00 22.53 C ATOM 340 CD ARG A 22 18.541 25.442 -7.881 1.00 13.45 C ATOM 341 NE ARG A 22 17.225 26.075 -7.870 1.00 70.41 N ATOM 342 CZ ARG A 22 17.040 27.386 -7.767 1.00 0.11 C ATOM 343 NH1 ARG A 22 18.083 28.200 -7.667 1.00 15.22 N ATOM 344 NH2 ARG A 22 15.811 27.887 -7.764 1.00 63.02 N ATOM 0 H ARG A 22 19.210 20.442 -7.145 1.00 41.31 H new ATOM 0 HA ARG A 22 19.597 22.023 -9.616 1.00 12.42 H new ATOM 0 HB2 ARG A 22 19.196 22.868 -6.777 1.00 33.13 H new ATOM 0 HB3 ARG A 22 20.459 23.701 -7.662 1.00 33.13 H new ATOM 0 HG2 ARG A 22 18.650 24.048 -9.509 1.00 22.53 H new ATOM 0 HG3 ARG A 22 17.497 23.607 -8.265 1.00 22.53 H new ATOM 0 HD2 ARG A 22 18.942 25.422 -6.868 1.00 13.45 H new ATOM 0 HD3 ARG A 22 19.225 26.040 -8.483 1.00 13.45 H new ATOM 0 HE ARG A 22 16.402 25.477 -7.946 1.00 70.41 H new ATOM 0 HH11 ARG A 22 19.029 27.819 -7.669 1.00 15.22 H new ATOM 0 HH12 ARG A 22 17.939 29.207 -7.588 1.00 15.22 H new ATOM 0 HH21 ARG A 22 15.006 27.265 -7.841 1.00 63.02 H new ATOM 0 HH22 ARG A 22 15.671 28.894 -7.685 1.00 63.02 H new ATOM 358 N PRO A 23 22.152 22.217 -9.194 1.00 15.13 N ATOM 359 CA PRO A 23 23.601 21.995 -9.187 1.00 62.54 C ATOM 360 C PRO A 23 24.248 22.425 -7.875 1.00 73.43 C ATOM 361 O PRO A 23 25.226 21.827 -7.429 1.00 41.10 O ATOM 362 CB PRO A 23 24.099 22.867 -10.341 1.00 43.34 C ATOM 363 CG PRO A 23 23.072 23.937 -10.478 1.00 1.45 C ATOM 364 CD PRO A 23 21.760 23.302 -10.109 1.00 43.05 C ATOM 0 HA PRO A 23 23.852 20.940 -9.294 1.00 62.54 H new ATOM 0 HB2 PRO A 23 25.081 23.287 -10.125 1.00 43.34 H new ATOM 0 HB3 PRO A 23 24.194 22.290 -11.261 1.00 43.34 H new ATOM 0 HG2 PRO A 23 23.296 24.779 -9.823 1.00 1.45 H new ATOM 0 HG3 PRO A 23 23.045 24.324 -11.497 1.00 1.45 H new ATOM 0 HD2 PRO A 23 21.091 24.014 -9.625 1.00 43.05 H new ATOM 0 HD3 PRO A 23 21.238 22.919 -10.986 1.00 43.05 H new ATOM 372 N GLY A 24 23.693 23.466 -7.261 1.00 3.02 N ATOM 373 CA GLY A 24 24.230 23.958 -6.006 1.00 13.31 C ATOM 374 C GLY A 24 23.200 23.954 -4.893 1.00 60.24 C ATOM 375 O GLY A 24 23.258 24.777 -3.982 1.00 75.31 O ATOM 0 H GLY A 24 22.882 23.977 -7.610 1.00 3.02 H new ATOM 0 HA2 GLY A 24 25.080 23.343 -5.712 1.00 13.31 H new ATOM 0 HA3 GLY A 24 24.604 24.972 -6.147 1.00 13.31 H new ATOM 379 N GLY A 25 22.252 23.024 -4.970 1.00 40.52 N ATOM 380 CA GLY A 25 21.217 22.936 -3.957 1.00 22.01 C ATOM 381 C GLY A 25 21.434 21.776 -3.006 1.00 64.44 C ATOM 382 O GLY A 25 22.471 21.113 -3.050 1.00 10.54 O ATOM 0 H GLY A 25 22.183 22.331 -5.715 1.00 40.52 H new ATOM 0 HA2 GLY A 25 21.188 23.866 -3.390 1.00 22.01 H new ATOM 0 HA3 GLY A 25 20.247 22.828 -4.442 1.00 22.01 H new ATOM 386 N LYS A 26 20.455 21.529 -2.142 1.00 51.34 N ATOM 387 CA LYS A 26 20.543 20.442 -1.176 1.00 22.44 C ATOM 388 C LYS A 26 19.285 19.580 -1.209 1.00 64.45 C ATOM 389 O LYS A 26 19.025 18.804 -0.289 1.00 2.33 O ATOM 390 CB LYS A 26 20.752 21.001 0.234 1.00 24.41 C ATOM 391 CG LYS A 26 19.830 22.158 0.572 1.00 33.01 C ATOM 392 CD LYS A 26 19.780 22.413 2.070 1.00 64.32 C ATOM 393 CE LYS A 26 19.477 23.871 2.378 1.00 32.30 C ATOM 394 NZ LYS A 26 20.466 24.455 3.324 1.00 13.43 N ATOM 0 H LYS A 26 19.591 22.068 -2.092 1.00 51.34 H new ATOM 0 HA LYS A 26 21.396 19.820 -1.445 1.00 22.44 H new ATOM 0 HB2 LYS A 26 20.599 20.202 0.959 1.00 24.41 H new ATOM 0 HB3 LYS A 26 21.786 21.330 0.336 1.00 24.41 H new ATOM 0 HG2 LYS A 26 20.171 23.058 0.060 1.00 33.01 H new ATOM 0 HG3 LYS A 26 18.826 21.944 0.205 1.00 33.01 H new ATOM 0 HD2 LYS A 26 19.018 21.779 2.523 1.00 64.32 H new ATOM 0 HD3 LYS A 26 20.734 22.136 2.519 1.00 64.32 H new ATOM 0 HE2 LYS A 26 19.478 24.445 1.452 1.00 32.30 H new ATOM 0 HE3 LYS A 26 18.476 23.952 2.803 1.00 32.30 H new ATOM 0 HZ1 LYS A 26 20.225 25.450 3.508 1.00 13.43 H new ATOM 0 HZ2 LYS A 26 20.448 23.923 4.217 1.00 13.43 H new ATOM 0 HZ3 LYS A 26 21.418 24.401 2.908 1.00 13.43 H new ATOM 408 N LYS A 27 18.508 19.717 -2.278 1.00 54.22 N ATOM 409 CA LYS A 27 17.279 18.949 -2.435 1.00 54.13 C ATOM 410 C LYS A 27 17.374 18.009 -3.631 1.00 65.43 C ATOM 411 O LYS A 27 17.799 18.407 -4.716 1.00 61.40 O ATOM 412 CB LYS A 27 16.084 19.891 -2.608 1.00 22.00 C ATOM 413 CG LYS A 27 15.014 19.717 -1.542 1.00 43.43 C ATOM 414 CD LYS A 27 14.331 21.035 -1.219 1.00 5.42 C ATOM 415 CE LYS A 27 13.218 20.850 -0.200 1.00 21.44 C ATOM 416 NZ LYS A 27 13.729 20.902 1.197 1.00 11.21 N ATOM 0 H LYS A 27 18.708 20.354 -3.049 1.00 54.22 H new ATOM 0 HA LYS A 27 17.136 18.351 -1.535 1.00 54.13 H new ATOM 0 HB2 LYS A 27 16.439 20.922 -2.590 1.00 22.00 H new ATOM 0 HB3 LYS A 27 15.639 19.724 -3.589 1.00 22.00 H new ATOM 0 HG2 LYS A 27 14.272 18.996 -1.884 1.00 43.43 H new ATOM 0 HG3 LYS A 27 15.463 19.307 -0.637 1.00 43.43 H new ATOM 0 HD2 LYS A 27 15.066 21.742 -0.833 1.00 5.42 H new ATOM 0 HD3 LYS A 27 13.922 21.467 -2.132 1.00 5.42 H new ATOM 0 HE2 LYS A 27 12.465 21.626 -0.340 1.00 21.44 H new ATOM 0 HE3 LYS A 27 12.725 19.893 -0.371 1.00 21.44 H new ATOM 0 HZ1 LYS A 27 12.939 20.772 1.861 1.00 11.21 H new ATOM 0 HZ2 LYS A 27 14.429 20.146 1.339 1.00 11.21 H new ATOM 0 HZ3 LYS A 27 14.177 21.825 1.369 1.00 11.21 H new ATOM 430 N LYS A 28 16.975 16.757 -3.428 1.00 2.14 N ATOM 431 CA LYS A 28 17.013 15.759 -4.489 1.00 61.34 C ATOM 432 C LYS A 28 15.605 15.434 -4.982 1.00 13.35 C ATOM 433 O LYS A 28 14.618 15.726 -4.306 1.00 22.11 O ATOM 434 CB LYS A 28 17.697 14.483 -3.994 1.00 13.40 C ATOM 435 CG LYS A 28 19.201 14.622 -3.837 1.00 30.14 C ATOM 436 CD LYS A 28 19.675 14.074 -2.501 1.00 22.13 C ATOM 437 CE LYS A 28 20.136 15.187 -1.573 1.00 64.33 C ATOM 438 NZ LYS A 28 19.058 15.611 -0.637 1.00 25.10 N ATOM 0 H LYS A 28 16.621 16.410 -2.536 1.00 2.14 H new ATOM 0 HA LYS A 28 17.585 16.172 -5.320 1.00 61.34 H new ATOM 0 HB2 LYS A 28 17.265 14.197 -3.035 1.00 13.40 H new ATOM 0 HB3 LYS A 28 17.486 13.673 -4.692 1.00 13.40 H new ATOM 0 HG2 LYS A 28 19.703 14.093 -4.647 1.00 30.14 H new ATOM 0 HG3 LYS A 28 19.481 15.672 -3.921 1.00 30.14 H new ATOM 0 HD2 LYS A 28 18.867 13.516 -2.028 1.00 22.13 H new ATOM 0 HD3 LYS A 28 20.493 13.373 -2.664 1.00 22.13 H new ATOM 0 HE2 LYS A 28 21.001 14.849 -1.002 1.00 64.33 H new ATOM 0 HE3 LYS A 28 20.460 16.043 -2.165 1.00 64.33 H new ATOM 0 HZ1 LYS A 28 19.065 16.647 -0.546 1.00 25.10 H new ATOM 0 HZ2 LYS A 28 18.136 15.302 -1.006 1.00 25.10 H new ATOM 0 HZ3 LYS A 28 19.219 15.180 0.296 1.00 25.10 H new ATOM 452 N TYR A 29 15.521 14.830 -6.162 1.00 3.13 N ATOM 453 CA TYR A 29 14.235 14.467 -6.744 1.00 21.44 C ATOM 454 C TYR A 29 13.496 13.470 -5.856 1.00 12.15 C ATOM 455 O TYR A 29 14.114 12.690 -5.132 1.00 2.34 O ATOM 456 CB TYR A 29 14.433 13.874 -8.140 1.00 15.04 C ATOM 457 CG TYR A 29 14.601 14.916 -9.222 1.00 12.21 C ATOM 458 CD1 TYR A 29 15.854 15.435 -9.526 1.00 1.12 C ATOM 459 CD2 TYR A 29 13.508 15.382 -9.942 1.00 60.32 C ATOM 460 CE1 TYR A 29 16.012 16.388 -10.512 1.00 42.43 C ATOM 461 CE2 TYR A 29 13.657 16.334 -10.932 1.00 64.03 C ATOM 462 CZ TYR A 29 14.911 16.835 -11.213 1.00 60.33 C ATOM 463 OH TYR A 29 15.065 17.782 -12.198 1.00 41.25 O ATOM 0 H TYR A 29 16.328 14.582 -6.734 1.00 3.13 H new ATOM 0 HA TYR A 29 13.632 15.372 -6.822 1.00 21.44 H new ATOM 0 HB2 TYR A 29 15.311 13.228 -8.130 1.00 15.04 H new ATOM 0 HB3 TYR A 29 13.577 13.245 -8.383 1.00 15.04 H new ATOM 0 HD1 TYR A 29 16.719 15.087 -8.981 1.00 1.12 H new ATOM 0 HD2 TYR A 29 12.524 14.993 -9.724 1.00 60.32 H new ATOM 0 HE1 TYR A 29 16.993 16.782 -10.734 1.00 42.43 H new ATOM 0 HE2 TYR A 29 12.796 16.684 -11.483 1.00 64.03 H new ATOM 0 HH TYR A 29 15.996 18.088 -12.215 1.00 41.25 H new ATOM 473 N ARG A 30 12.169 13.502 -5.919 1.00 14.12 N ATOM 474 CA ARG A 30 11.345 12.603 -5.121 1.00 15.31 C ATOM 475 C ARG A 30 10.093 12.189 -5.888 1.00 74.11 C ATOM 476 O ARG A 30 9.767 12.768 -6.926 1.00 22.02 O ATOM 477 CB ARG A 30 10.949 13.273 -3.803 1.00 61.00 C ATOM 478 CG ARG A 30 11.496 12.567 -2.573 1.00 71.01 C ATOM 479 CD ARG A 30 11.867 13.558 -1.481 1.00 12.23 C ATOM 480 NE ARG A 30 11.741 12.976 -0.147 1.00 71.04 N ATOM 481 CZ ARG A 30 11.746 13.693 0.971 1.00 60.22 C ATOM 482 NH1 ARG A 30 11.871 15.012 0.916 1.00 21.21 N ATOM 483 NH2 ARG A 30 11.627 13.091 2.147 1.00 74.50 N ATOM 0 H ARG A 30 11.642 14.141 -6.514 1.00 14.12 H new ATOM 0 HA ARG A 30 11.931 11.710 -4.905 1.00 15.31 H new ATOM 0 HB2 ARG A 30 11.304 14.304 -3.808 1.00 61.00 H new ATOM 0 HB3 ARG A 30 9.862 13.311 -3.737 1.00 61.00 H new ATOM 0 HG2 ARG A 30 10.752 11.867 -2.193 1.00 71.01 H new ATOM 0 HG3 ARG A 30 12.373 11.982 -2.848 1.00 71.01 H new ATOM 0 HD2 ARG A 30 12.891 13.898 -1.633 1.00 12.23 H new ATOM 0 HD3 ARG A 30 11.226 14.436 -1.555 1.00 12.23 H new ATOM 0 HE ARG A 30 11.644 11.964 -0.070 1.00 71.04 H new ATOM 0 HH11 ARG A 30 11.964 15.478 0.014 1.00 21.21 H new ATOM 0 HH12 ARG A 30 11.875 15.560 1.776 1.00 21.21 H new ATOM 0 HH21 ARG A 30 11.532 12.077 2.193 1.00 74.50 H new ATOM 0 HH22 ARG A 30 11.631 13.643 3.005 1.00 74.50 H new ATOM 497 N LEU A 31 9.394 11.184 -5.372 1.00 61.42 N ATOM 498 CA LEU A 31 8.178 10.690 -6.009 1.00 31.05 C ATOM 499 C LEU A 31 7.256 11.845 -6.388 1.00 25.50 C ATOM 500 O LEU A 31 6.628 11.829 -7.447 1.00 11.42 O ATOM 501 CB LEU A 31 7.447 9.724 -5.075 1.00 74.51 C ATOM 502 CG LEU A 31 7.311 8.284 -5.573 1.00 11.34 C ATOM 503 CD1 LEU A 31 8.682 7.660 -5.780 1.00 50.22 C ATOM 504 CD2 LEU A 31 6.490 7.457 -4.594 1.00 64.03 C ATOM 0 H LEU A 31 9.649 10.695 -4.514 1.00 61.42 H new ATOM 0 HA LEU A 31 8.461 10.161 -6.919 1.00 31.05 H new ATOM 0 HB2 LEU A 31 7.970 9.709 -4.119 1.00 74.51 H new ATOM 0 HB3 LEU A 31 6.448 10.118 -4.886 1.00 74.51 H new ATOM 0 HG LEU A 31 6.792 8.298 -6.531 1.00 11.34 H new ATOM 0 HD11 LEU A 31 8.566 6.636 -6.134 1.00 50.22 H new ATOM 0 HD12 LEU A 31 9.237 8.239 -6.518 1.00 50.22 H new ATOM 0 HD13 LEU A 31 9.227 7.658 -4.836 1.00 50.22 H new ATOM 0 HD21 LEU A 31 6.403 6.435 -4.964 1.00 64.03 H new ATOM 0 HD22 LEU A 31 6.982 7.450 -3.621 1.00 64.03 H new ATOM 0 HD23 LEU A 31 5.496 7.892 -4.494 1.00 64.03 H new ATOM 516 N LYS A 32 7.181 12.846 -5.518 1.00 33.44 N ATOM 517 CA LYS A 32 6.338 14.010 -5.762 1.00 43.52 C ATOM 518 C LYS A 32 6.598 14.588 -7.150 1.00 72.10 C ATOM 519 O LYS A 32 5.665 14.963 -7.862 1.00 24.11 O ATOM 520 CB LYS A 32 6.591 15.080 -4.697 1.00 42.45 C ATOM 521 CG LYS A 32 5.993 14.743 -3.343 1.00 24.13 C ATOM 522 CD LYS A 32 6.877 15.231 -2.207 1.00 14.41 C ATOM 523 CE LYS A 32 6.604 14.467 -0.920 1.00 62.42 C ATOM 524 NZ LYS A 32 7.700 14.643 0.072 1.00 1.11 N ATOM 0 H LYS A 32 7.694 12.875 -4.637 1.00 33.44 H new ATOM 0 HA LYS A 32 5.297 13.692 -5.709 1.00 43.52 H new ATOM 0 HB2 LYS A 32 7.666 15.222 -4.585 1.00 42.45 H new ATOM 0 HB3 LYS A 32 6.178 16.028 -5.041 1.00 42.45 H new ATOM 0 HG2 LYS A 32 5.005 15.196 -3.257 1.00 24.13 H new ATOM 0 HG3 LYS A 32 5.857 13.665 -3.262 1.00 24.13 H new ATOM 0 HD2 LYS A 32 7.925 15.115 -2.485 1.00 14.41 H new ATOM 0 HD3 LYS A 32 6.706 16.295 -2.043 1.00 14.41 H new ATOM 0 HE2 LYS A 32 5.664 14.809 -0.487 1.00 62.42 H new ATOM 0 HE3 LYS A 32 6.485 13.407 -1.145 1.00 62.42 H new ATOM 0 HZ1 LYS A 32 7.477 14.107 0.935 1.00 1.11 H new ATOM 0 HZ2 LYS A 32 8.593 14.293 -0.331 1.00 1.11 H new ATOM 0 HZ3 LYS A 32 7.797 15.652 0.306 1.00 1.11 H new ATOM 538 N HIS A 33 7.870 14.656 -7.529 1.00 51.44 N ATOM 539 CA HIS A 33 8.253 15.186 -8.834 1.00 34.34 C ATOM 540 C HIS A 33 7.785 14.261 -9.954 1.00 61.40 C ATOM 541 O HIS A 33 7.509 14.778 -11.037 1.00 34.24 O ATOM 542 CB HIS A 33 9.768 15.370 -8.909 1.00 44.33 C ATOM 543 CG HIS A 33 10.298 16.379 -7.938 1.00 40.41 C ATOM 544 ND1 HIS A 33 11.126 16.050 -6.886 1.00 43.41 N ATOM 545 CD2 HIS A 33 10.114 17.719 -7.864 1.00 44.31 C ATOM 546 CE1 HIS A 33 11.428 17.142 -6.207 1.00 14.22 C ATOM 547 NE2 HIS A 33 10.826 18.169 -6.781 1.00 31.01 N ATOM 0 H HIS A 33 8.653 14.351 -6.952 1.00 51.44 H new ATOM 0 HA HIS A 33 7.771 16.155 -8.961 1.00 34.34 H new ATOM 0 HB2 HIS A 33 10.252 14.411 -8.724 1.00 44.33 H new ATOM 0 HB3 HIS A 33 10.039 15.674 -9.920 1.00 44.33 H new ATOM 0 HD2 HIS A 33 9.518 18.321 -8.533 1.00 44.31 H new ATOM 0 HE1 HIS A 33 12.059 17.188 -5.332 1.00 14.22 H new ATOM 0 HE2 HIS A 33 10.882 19.139 -6.469 1.00 31.01 H new ATOM 555 N ILE A 34 7.692 12.954 -9.731 1.00 1.11 N ATOM 556 CA ILE A 34 7.248 12.032 -10.769 1.00 45.34 C ATOM 557 C ILE A 34 5.761 12.202 -11.057 1.00 60.40 C ATOM 558 O ILE A 34 5.325 12.112 -12.205 1.00 32.54 O ATOM 559 CB ILE A 34 7.521 10.569 -10.376 1.00 62.04 C ATOM 560 CG1 ILE A 34 8.999 10.376 -10.035 1.00 11.14 C ATOM 561 CG2 ILE A 34 7.106 9.632 -11.502 1.00 15.23 C ATOM 562 CD1 ILE A 34 9.348 8.959 -9.634 1.00 14.21 C ATOM 0 H ILE A 34 7.918 12.510 -8.841 1.00 1.11 H new ATOM 0 HA ILE A 34 7.818 12.270 -11.667 1.00 45.34 H new ATOM 0 HB ILE A 34 6.929 10.330 -9.492 1.00 62.04 H new ATOM 0 HG12 ILE A 34 9.602 10.660 -10.897 1.00 11.14 H new ATOM 0 HG13 ILE A 34 9.267 11.051 -9.222 1.00 11.14 H new ATOM 0 HG21 ILE A 34 7.305 8.601 -11.209 1.00 15.23 H new ATOM 0 HG22 ILE A 34 6.041 9.753 -11.702 1.00 15.23 H new ATOM 0 HG23 ILE A 34 7.674 9.870 -12.401 1.00 15.23 H new ATOM 0 HD11 ILE A 34 10.412 8.897 -9.406 1.00 14.21 H new ATOM 0 HD12 ILE A 34 8.771 8.678 -8.753 1.00 14.21 H new ATOM 0 HD13 ILE A 34 9.112 8.280 -10.454 1.00 14.21 H new ATOM 574 N VAL A 35 4.985 12.451 -10.006 1.00 62.53 N ATOM 575 CA VAL A 35 3.546 12.635 -10.145 1.00 33.05 C ATOM 576 C VAL A 35 3.229 13.800 -11.076 1.00 3.44 C ATOM 577 O VAL A 35 2.511 13.642 -12.063 1.00 34.34 O ATOM 578 CB VAL A 35 2.878 12.887 -8.779 1.00 54.45 C ATOM 579 CG1 VAL A 35 1.387 13.133 -8.952 1.00 24.50 C ATOM 580 CG2 VAL A 35 3.130 11.717 -7.840 1.00 55.14 C ATOM 0 H VAL A 35 5.330 12.530 -9.049 1.00 62.53 H new ATOM 0 HA VAL A 35 3.148 11.714 -10.571 1.00 33.05 H new ATOM 0 HB VAL A 35 3.319 13.780 -8.336 1.00 54.45 H new ATOM 0 HG11 VAL A 35 0.932 13.309 -7.977 1.00 24.50 H new ATOM 0 HG12 VAL A 35 1.233 14.005 -9.587 1.00 24.50 H new ATOM 0 HG13 VAL A 35 0.926 12.261 -9.416 1.00 24.50 H new ATOM 0 HG21 VAL A 35 2.652 11.911 -6.880 1.00 55.14 H new ATOM 0 HG22 VAL A 35 2.716 10.807 -8.274 1.00 55.14 H new ATOM 0 HG23 VAL A 35 4.203 11.594 -7.692 1.00 55.14 H new ATOM 590 N TRP A 36 3.770 14.970 -10.755 1.00 52.32 N ATOM 591 CA TRP A 36 3.545 16.163 -11.563 1.00 53.23 C ATOM 592 C TRP A 36 3.887 15.902 -13.026 1.00 50.15 C ATOM 593 O TRP A 36 3.173 16.341 -13.927 1.00 61.53 O ATOM 594 CB TRP A 36 4.380 17.329 -11.032 1.00 3.51 C ATOM 595 CG TRP A 36 4.046 18.641 -11.675 1.00 50.24 C ATOM 596 CD1 TRP A 36 3.033 19.489 -11.328 1.00 72.42 C ATOM 597 CD2 TRP A 36 4.725 19.253 -12.777 1.00 55.22 C ATOM 598 NE1 TRP A 36 3.041 20.592 -12.148 1.00 1.00 N ATOM 599 CE2 TRP A 36 4.069 20.471 -13.045 1.00 4.23 C ATOM 600 CE3 TRP A 36 5.823 18.892 -13.563 1.00 21.21 C ATOM 601 CZ2 TRP A 36 4.477 21.327 -14.065 1.00 21.11 C ATOM 602 CZ3 TRP A 36 6.226 19.742 -14.575 1.00 61.41 C ATOM 603 CH2 TRP A 36 5.555 20.947 -14.819 1.00 15.44 C ATOM 0 H TRP A 36 4.367 15.118 -9.941 1.00 52.32 H new ATOM 0 HA TRP A 36 2.488 16.422 -11.497 1.00 53.23 H new ATOM 0 HB2 TRP A 36 4.231 17.412 -9.955 1.00 3.51 H new ATOM 0 HB3 TRP A 36 5.436 17.113 -11.192 1.00 3.51 H new ATOM 0 HD1 TRP A 36 2.329 19.318 -10.527 1.00 72.42 H new ATOM 0 HE1 TRP A 36 2.388 21.374 -12.097 1.00 1.00 H new ATOM 0 HE3 TRP A 36 6.347 17.965 -13.382 1.00 21.21 H new ATOM 0 HZ2 TRP A 36 3.962 22.257 -14.254 1.00 21.11 H new ATOM 0 HZ3 TRP A 36 7.073 19.473 -15.188 1.00 61.41 H new ATOM 0 HH2 TRP A 36 5.895 21.589 -15.618 1.00 15.44 H new ATOM 614 N ALA A 37 4.982 15.185 -13.255 1.00 22.55 N ATOM 615 CA ALA A 37 5.416 14.863 -14.608 1.00 4.22 C ATOM 616 C ALA A 37 4.358 14.052 -15.346 1.00 72.32 C ATOM 617 O ALA A 37 3.806 14.501 -16.350 1.00 53.44 O ATOM 618 CB ALA A 37 6.736 14.105 -14.574 1.00 13.02 C ATOM 0 H ALA A 37 5.585 14.816 -12.520 1.00 22.55 H new ATOM 0 HA ALA A 37 5.561 15.799 -15.148 1.00 4.22 H new ATOM 0 HB1 ALA A 37 7.048 13.871 -15.592 1.00 13.02 H new ATOM 0 HB2 ALA A 37 7.497 14.720 -14.094 1.00 13.02 H new ATOM 0 HB3 ALA A 37 6.610 13.180 -14.012 1.00 13.02 H new ATOM 624 N ALA A 38 4.078 12.855 -14.843 1.00 62.51 N ATOM 625 CA ALA A 38 3.085 11.981 -15.454 1.00 32.40 C ATOM 626 C ALA A 38 1.727 12.671 -15.542 1.00 24.34 C ATOM 627 O ALA A 38 0.953 12.424 -16.465 1.00 32.32 O ATOM 628 CB ALA A 38 2.969 10.683 -14.670 1.00 62.33 C ATOM 0 H ALA A 38 4.526 12.468 -14.012 1.00 62.51 H new ATOM 0 HA ALA A 38 3.414 11.752 -16.467 1.00 32.40 H new ATOM 0 HB1 ALA A 38 2.223 10.040 -15.138 1.00 62.33 H new ATOM 0 HB2 ALA A 38 3.933 10.175 -14.663 1.00 62.33 H new ATOM 0 HB3 ALA A 38 2.667 10.902 -13.646 1.00 62.33 H new ATOM 634 N ASN A 39 1.445 13.537 -14.573 1.00 62.12 N ATOM 635 CA ASN A 39 0.180 14.261 -14.540 1.00 10.42 C ATOM 636 C ASN A 39 0.103 15.273 -15.680 1.00 73.31 C ATOM 637 O ASN A 39 -0.819 15.237 -16.495 1.00 65.32 O ATOM 638 CB ASN A 39 0.012 14.975 -13.198 1.00 30.13 C ATOM 639 CG ASN A 39 -1.429 15.364 -12.926 1.00 0.34 C ATOM 640 OD1 ASN A 39 -2.352 14.846 -13.554 1.00 34.20 O ATOM 641 ND2 ASN A 39 -1.627 16.282 -11.987 1.00 2.22 N ATOM 0 H ASN A 39 2.075 13.754 -13.801 1.00 62.12 H new ATOM 0 HA ASN A 39 -0.627 13.539 -14.663 1.00 10.42 H new ATOM 0 HB2 ASN A 39 0.368 14.326 -12.397 1.00 30.13 H new ATOM 0 HB3 ASN A 39 0.635 15.869 -13.185 1.00 30.13 H new ATOM 0 HD21 ASN A 39 -2.575 16.584 -11.761 1.00 2.22 H new ATOM 0 HD22 ASN A 39 -0.831 16.685 -11.492 1.00 2.22 H new ATOM 648 N LYS A 40 1.077 16.174 -15.730 1.00 43.42 N ATOM 649 CA LYS A 40 1.122 17.195 -16.770 1.00 23.02 C ATOM 650 C LYS A 40 0.937 16.574 -18.151 1.00 53.43 C ATOM 651 O LYS A 40 0.346 17.184 -19.043 1.00 35.23 O ATOM 652 CB LYS A 40 2.452 17.952 -16.713 1.00 62.14 C ATOM 653 CG LYS A 40 2.467 19.081 -15.699 1.00 34.32 C ATOM 654 CD LYS A 40 1.687 20.287 -16.196 1.00 74.12 C ATOM 655 CE LYS A 40 1.086 21.077 -15.044 1.00 3.34 C ATOM 656 NZ LYS A 40 0.246 22.208 -15.525 1.00 21.45 N ATOM 0 H LYS A 40 1.847 16.218 -15.062 1.00 43.42 H new ATOM 0 HA LYS A 40 0.305 17.894 -16.593 1.00 23.02 H new ATOM 0 HB2 LYS A 40 3.250 17.249 -16.473 1.00 62.14 H new ATOM 0 HB3 LYS A 40 2.671 18.359 -17.700 1.00 62.14 H new ATOM 0 HG2 LYS A 40 2.040 18.733 -14.759 1.00 34.32 H new ATOM 0 HG3 LYS A 40 3.497 19.372 -15.493 1.00 34.32 H new ATOM 0 HD2 LYS A 40 2.345 20.933 -16.777 1.00 74.12 H new ATOM 0 HD3 LYS A 40 0.893 19.957 -16.865 1.00 74.12 H new ATOM 0 HE2 LYS A 40 0.482 20.414 -14.425 1.00 3.34 H new ATOM 0 HE3 LYS A 40 1.886 21.462 -14.412 1.00 3.34 H new ATOM 0 HZ1 LYS A 40 -0.145 22.721 -14.709 1.00 21.45 H new ATOM 0 HZ2 LYS A 40 0.828 22.855 -16.095 1.00 21.45 H new ATOM 0 HZ3 LYS A 40 -0.533 21.839 -16.108 1.00 21.45 H new ATOM 670 N LEU A 41 1.445 15.358 -18.321 1.00 1.21 N ATOM 671 CA LEU A 41 1.333 14.654 -19.593 1.00 65.31 C ATOM 672 C LEU A 41 -0.126 14.375 -19.935 1.00 64.45 C ATOM 673 O LEU A 41 -0.660 14.911 -20.907 1.00 23.13 O ATOM 674 CB LEU A 41 2.117 13.341 -19.542 1.00 3.14 C ATOM 675 CG LEU A 41 3.638 13.469 -19.458 1.00 15.51 C ATOM 676 CD1 LEU A 41 4.279 12.106 -19.250 1.00 1.24 C ATOM 677 CD2 LEU A 41 4.187 14.133 -20.712 1.00 61.04 C ATOM 0 H LEU A 41 1.938 14.840 -17.594 1.00 1.21 H new ATOM 0 HA LEU A 41 1.753 15.292 -20.371 1.00 65.31 H new ATOM 0 HB2 LEU A 41 1.773 12.769 -18.680 1.00 3.14 H new ATOM 0 HB3 LEU A 41 1.870 12.759 -20.430 1.00 3.14 H new ATOM 0 HG LEU A 41 3.883 14.097 -18.601 1.00 15.51 H new ATOM 0 HD11 LEU A 41 5.362 12.218 -19.193 1.00 1.24 H new ATOM 0 HD12 LEU A 41 3.910 11.668 -18.323 1.00 1.24 H new ATOM 0 HD13 LEU A 41 4.025 11.453 -20.085 1.00 1.24 H new ATOM 0 HD21 LEU A 41 5.271 14.216 -20.635 1.00 61.04 H new ATOM 0 HD22 LEU A 41 3.930 13.532 -21.584 1.00 61.04 H new ATOM 0 HD23 LEU A 41 3.754 15.128 -20.817 1.00 61.04 H new ATOM 689 N ASP A 42 -0.767 13.534 -19.131 1.00 35.40 N ATOM 690 CA ASP A 42 -2.167 13.187 -19.346 1.00 32.43 C ATOM 691 C ASP A 42 -3.007 14.438 -19.584 1.00 60.34 C ATOM 692 O ASP A 42 -3.856 14.467 -20.475 1.00 63.43 O ATOM 693 CB ASP A 42 -2.713 12.412 -18.146 1.00 64.11 C ATOM 694 CG ASP A 42 -2.571 10.911 -18.312 1.00 51.14 C ATOM 695 OD1 ASP A 42 -1.446 10.450 -18.599 1.00 54.23 O ATOM 696 OD2 ASP A 42 -3.584 10.199 -18.156 1.00 62.50 O ATOM 0 H ASP A 42 -0.339 13.080 -18.324 1.00 35.40 H new ATOM 0 HA ASP A 42 -2.227 12.557 -20.233 1.00 32.43 H new ATOM 0 HB2 ASP A 42 -2.187 12.726 -17.245 1.00 64.11 H new ATOM 0 HB3 ASP A 42 -3.765 12.661 -18.004 1.00 64.11 H new ATOM 701 N ARG A 43 -2.765 15.469 -18.781 1.00 63.03 N ATOM 702 CA ARG A 43 -3.501 16.721 -18.903 1.00 30.01 C ATOM 703 C ARG A 43 -3.237 17.377 -20.255 1.00 63.21 C ATOM 704 O ARG A 43 -4.147 17.533 -21.069 1.00 54.12 O ATOM 705 CB ARG A 43 -3.111 17.678 -17.775 1.00 3.14 C ATOM 706 CG ARG A 43 -4.110 17.710 -16.630 1.00 63.05 C ATOM 707 CD ARG A 43 -4.869 19.027 -16.590 1.00 22.24 C ATOM 708 NE ARG A 43 -6.144 18.902 -15.888 1.00 53.43 N ATOM 709 CZ ARG A 43 -6.910 19.938 -15.565 1.00 50.52 C ATOM 710 NH1 ARG A 43 -6.531 21.170 -15.880 1.00 14.03 N ATOM 711 NH2 ARG A 43 -8.057 19.744 -14.928 1.00 13.51 N ATOM 0 H ARG A 43 -2.065 15.462 -18.039 1.00 63.03 H new ATOM 0 HA ARG A 43 -4.565 16.497 -18.829 1.00 30.01 H new ATOM 0 HB2 ARG A 43 -2.135 17.389 -17.386 1.00 3.14 H new ATOM 0 HB3 ARG A 43 -3.007 18.683 -18.183 1.00 3.14 H new ATOM 0 HG2 ARG A 43 -4.815 16.886 -16.738 1.00 63.05 H new ATOM 0 HG3 ARG A 43 -3.587 17.561 -15.685 1.00 63.05 H new ATOM 0 HD2 ARG A 43 -4.257 19.783 -16.099 1.00 22.24 H new ATOM 0 HD3 ARG A 43 -5.048 19.374 -17.608 1.00 22.24 H new ATOM 0 HE ARG A 43 -6.464 17.968 -15.632 1.00 53.43 H new ATOM 0 HH11 ARG A 43 -5.650 21.323 -16.371 1.00 14.03 H new ATOM 0 HH12 ARG A 43 -7.121 21.964 -15.631 1.00 14.03 H new ATOM 0 HH21 ARG A 43 -8.352 18.798 -14.685 1.00 13.51 H new ATOM 0 HH22 ARG A 43 -8.644 20.541 -14.681 1.00 13.51 H new ATOM 725 N PHE A 44 -1.987 17.760 -20.487 1.00 44.34 N ATOM 726 CA PHE A 44 -1.603 18.401 -21.740 1.00 24.32 C ATOM 727 C PHE A 44 -2.130 17.614 -22.937 1.00 14.14 C ATOM 728 O PHE A 44 -2.675 18.188 -23.878 1.00 55.22 O ATOM 729 CB PHE A 44 -0.080 18.525 -21.829 1.00 1.30 C ATOM 730 CG PHE A 44 0.468 19.714 -21.093 1.00 35.21 C ATOM 731 CD1 PHE A 44 -0.048 20.980 -21.314 1.00 14.23 C ATOM 732 CD2 PHE A 44 1.499 19.565 -20.180 1.00 4.31 C ATOM 733 CE1 PHE A 44 0.454 22.076 -20.639 1.00 3.24 C ATOM 734 CE2 PHE A 44 2.006 20.658 -19.501 1.00 42.33 C ATOM 735 CZ PHE A 44 1.483 21.915 -19.730 1.00 70.54 C ATOM 0 H PHE A 44 -1.222 17.638 -19.824 1.00 44.34 H new ATOM 0 HA PHE A 44 -2.044 19.398 -21.759 1.00 24.32 H new ATOM 0 HB2 PHE A 44 0.374 17.619 -21.429 1.00 1.30 H new ATOM 0 HB3 PHE A 44 0.211 18.591 -22.877 1.00 1.30 H new ATOM 0 HD1 PHE A 44 -0.852 21.112 -22.022 1.00 14.23 H new ATOM 0 HD2 PHE A 44 1.912 18.584 -19.996 1.00 4.31 H new ATOM 0 HE1 PHE A 44 0.043 23.058 -20.821 1.00 3.24 H new ATOM 0 HE2 PHE A 44 2.810 20.528 -18.792 1.00 42.33 H new ATOM 0 HZ PHE A 44 1.877 22.770 -19.201 1.00 70.54 H new ATOM 745 N GLY A 45 -1.964 16.296 -22.892 1.00 2.42 N ATOM 746 CA GLY A 45 -2.427 15.452 -23.978 1.00 21.52 C ATOM 747 C GLY A 45 -1.575 14.211 -24.151 1.00 51.15 C ATOM 748 O GLY A 45 -1.984 13.254 -24.810 1.00 75.42 O ATOM 0 H GLY A 45 -1.517 15.797 -22.123 1.00 2.42 H new ATOM 0 HA2 GLY A 45 -3.459 15.157 -23.790 1.00 21.52 H new ATOM 0 HA3 GLY A 45 -2.423 16.024 -24.906 1.00 21.52 H new ATOM 752 N LEU A 46 -0.384 14.225 -23.562 1.00 70.22 N ATOM 753 CA LEU A 46 0.530 13.092 -23.656 1.00 60.15 C ATOM 754 C LEU A 46 0.158 12.007 -22.651 1.00 31.23 C ATOM 755 O LEU A 46 -0.476 12.282 -21.632 1.00 74.24 O ATOM 756 CB LEU A 46 1.969 13.552 -23.419 1.00 5.32 C ATOM 757 CG LEU A 46 2.739 14.014 -24.655 1.00 53.33 C ATOM 758 CD1 LEU A 46 3.738 15.101 -24.287 1.00 64.10 C ATOM 759 CD2 LEU A 46 3.446 12.839 -25.315 1.00 64.22 C ATOM 0 H LEU A 46 -0.029 15.009 -23.014 1.00 70.22 H new ATOM 0 HA LEU A 46 0.449 12.674 -24.659 1.00 60.15 H new ATOM 0 HB2 LEU A 46 1.953 14.370 -22.699 1.00 5.32 H new ATOM 0 HB3 LEU A 46 2.520 12.732 -22.958 1.00 5.32 H new ATOM 0 HG LEU A 46 2.027 14.430 -25.368 1.00 53.33 H new ATOM 0 HD11 LEU A 46 4.277 15.417 -25.180 1.00 64.10 H new ATOM 0 HD12 LEU A 46 3.208 15.953 -23.862 1.00 64.10 H new ATOM 0 HD13 LEU A 46 4.446 14.712 -23.555 1.00 64.10 H new ATOM 0 HD21 LEU A 46 3.989 13.188 -26.193 1.00 64.22 H new ATOM 0 HD22 LEU A 46 4.146 12.393 -24.609 1.00 64.22 H new ATOM 0 HD23 LEU A 46 2.710 12.094 -25.616 1.00 64.22 H new ATOM 771 N ALA A 47 0.558 10.774 -22.943 1.00 54.10 N ATOM 772 CA ALA A 47 0.270 9.649 -22.063 1.00 4.14 C ATOM 773 C ALA A 47 1.484 9.295 -21.209 1.00 53.03 C ATOM 774 O ALA A 47 2.570 9.838 -21.405 1.00 51.40 O ATOM 775 CB ALA A 47 -0.174 8.442 -22.877 1.00 25.00 C ATOM 0 H ALA A 47 1.083 10.529 -23.783 1.00 54.10 H new ATOM 0 HA ALA A 47 -0.540 9.941 -21.394 1.00 4.14 H new ATOM 0 HB1 ALA A 47 -0.386 7.609 -22.207 1.00 25.00 H new ATOM 0 HB2 ALA A 47 -1.073 8.693 -23.439 1.00 25.00 H new ATOM 0 HB3 ALA A 47 0.619 8.158 -23.569 1.00 25.00 H new ATOM 826 N LEU A 51 7.205 6.975 -20.021 1.00 71.33 N ATOM 827 CA LEU A 51 7.877 7.086 -18.732 1.00 34.25 C ATOM 828 C LEU A 51 8.523 5.761 -18.338 1.00 34.43 C ATOM 829 O LEU A 51 9.584 5.738 -17.715 1.00 12.40 O ATOM 830 CB LEU A 51 6.883 7.522 -17.653 1.00 3.40 C ATOM 831 CG LEU A 51 6.458 8.990 -17.687 1.00 51.04 C ATOM 832 CD1 LEU A 51 5.286 9.229 -16.748 1.00 24.13 C ATOM 833 CD2 LEU A 51 7.627 9.894 -17.324 1.00 72.11 C ATOM 0 HA LEU A 51 8.661 7.838 -18.822 1.00 34.25 H new ATOM 0 HB2 LEU A 51 5.990 6.904 -17.739 1.00 3.40 H new ATOM 0 HB3 LEU A 51 7.322 7.314 -16.677 1.00 3.40 H new ATOM 0 HG LEU A 51 6.140 9.231 -18.701 1.00 51.04 H new ATOM 0 HD11 LEU A 51 4.998 10.280 -16.786 1.00 24.13 H new ATOM 0 HD12 LEU A 51 4.443 8.610 -17.054 1.00 24.13 H new ATOM 0 HD13 LEU A 51 5.576 8.969 -15.730 1.00 24.13 H new ATOM 0 HD21 LEU A 51 7.305 10.935 -17.354 1.00 72.11 H new ATOM 0 HD22 LEU A 51 7.977 9.651 -16.321 1.00 72.11 H new ATOM 0 HD23 LEU A 51 8.438 9.745 -18.037 1.00 72.11 H new ATOM 845 N GLU A 52 7.875 4.660 -18.707 1.00 43.51 N ATOM 846 CA GLU A 52 8.389 3.332 -18.394 1.00 33.34 C ATOM 847 C GLU A 52 9.549 2.965 -19.314 1.00 41.42 C ATOM 848 O GLU A 52 10.618 2.563 -18.854 1.00 63.42 O ATOM 849 CB GLU A 52 7.277 2.289 -18.517 1.00 54.23 C ATOM 850 CG GLU A 52 5.920 2.787 -18.048 1.00 61.34 C ATOM 851 CD GLU A 52 4.931 1.660 -17.819 1.00 42.43 C ATOM 852 OE1 GLU A 52 5.375 0.544 -17.473 1.00 42.20 O ATOM 853 OE2 GLU A 52 3.717 1.892 -17.985 1.00 35.22 O ATOM 0 H GLU A 52 6.995 4.662 -19.222 1.00 43.51 H new ATOM 0 HA GLU A 52 8.754 3.345 -17.367 1.00 33.34 H new ATOM 0 HB2 GLU A 52 7.199 1.974 -19.558 1.00 54.23 H new ATOM 0 HB3 GLU A 52 7.551 1.408 -17.937 1.00 54.23 H new ATOM 0 HG2 GLU A 52 6.044 3.350 -17.123 1.00 61.34 H new ATOM 0 HG3 GLU A 52 5.514 3.476 -18.789 1.00 61.34 H new ATOM 860 N SER A 53 9.331 3.108 -20.617 1.00 4.50 N ATOM 861 CA SER A 53 10.357 2.788 -21.604 1.00 35.30 C ATOM 862 C SER A 53 11.183 4.023 -21.947 1.00 51.43 C ATOM 863 O SER A 53 10.639 5.086 -22.249 1.00 70.01 O ATOM 864 CB SER A 53 9.715 2.221 -22.871 1.00 54.24 C ATOM 865 OG SER A 53 9.750 3.165 -23.928 1.00 12.24 O ATOM 0 H SER A 53 8.453 3.443 -21.014 1.00 4.50 H new ATOM 0 HA SER A 53 11.020 2.037 -21.174 1.00 35.30 H new ATOM 0 HB2 SER A 53 10.238 1.314 -23.172 1.00 54.24 H new ATOM 0 HB3 SER A 53 8.682 1.940 -22.664 1.00 54.24 H new ATOM 0 HG SER A 53 8.986 3.774 -23.849 1.00 12.24 H new ATOM 871 N LYS A 54 12.503 3.876 -21.900 1.00 44.03 N ATOM 872 CA LYS A 54 13.408 4.977 -22.208 1.00 11.25 C ATOM 873 C LYS A 54 13.142 5.526 -23.606 1.00 11.22 C ATOM 874 O LYS A 54 13.263 6.728 -23.843 1.00 74.14 O ATOM 875 CB LYS A 54 14.862 4.515 -22.099 1.00 4.54 C ATOM 876 CG LYS A 54 15.285 3.568 -23.209 1.00 34.30 C ATOM 877 CD LYS A 54 16.721 3.105 -23.031 1.00 25.42 C ATOM 878 CE LYS A 54 16.788 1.745 -22.349 1.00 15.21 C ATOM 879 NZ LYS A 54 16.841 0.632 -23.337 1.00 34.12 N ATOM 0 H LYS A 54 12.970 3.004 -21.651 1.00 44.03 H new ATOM 0 HA LYS A 54 13.230 5.773 -21.484 1.00 11.25 H new ATOM 0 HB2 LYS A 54 15.514 5.389 -22.110 1.00 4.54 H new ATOM 0 HB3 LYS A 54 15.007 4.022 -21.138 1.00 4.54 H new ATOM 0 HG2 LYS A 54 14.622 2.703 -23.223 1.00 34.30 H new ATOM 0 HG3 LYS A 54 15.179 4.066 -24.173 1.00 34.30 H new ATOM 0 HD2 LYS A 54 17.210 3.050 -24.004 1.00 25.42 H new ATOM 0 HD3 LYS A 54 17.270 3.837 -22.439 1.00 25.42 H new ATOM 0 HE2 LYS A 54 17.668 1.703 -21.707 1.00 15.21 H new ATOM 0 HE3 LYS A 54 15.918 1.618 -21.705 1.00 15.21 H new ATOM 0 HZ1 LYS A 54 16.886 -0.277 -22.834 1.00 34.12 H new ATOM 0 HZ2 LYS A 54 15.989 0.656 -23.933 1.00 34.12 H new ATOM 0 HZ3 LYS A 54 17.685 0.739 -23.935 1.00 34.12 H new ATOM 893 N GLU A 55 12.777 4.639 -24.526 1.00 11.50 N ATOM 894 CA GLU A 55 12.493 5.037 -25.900 1.00 14.05 C ATOM 895 C GLU A 55 11.343 6.038 -25.949 1.00 14.22 C ATOM 896 O GLU A 55 11.363 6.986 -26.733 1.00 30.32 O ATOM 897 CB GLU A 55 12.154 3.811 -26.750 1.00 35.44 C ATOM 898 CG GLU A 55 12.374 4.022 -28.238 1.00 32.14 C ATOM 899 CD GLU A 55 12.568 2.719 -28.990 1.00 21.24 C ATOM 900 OE1 GLU A 55 11.918 1.719 -28.620 1.00 45.04 O ATOM 901 OE2 GLU A 55 13.371 2.701 -29.946 1.00 74.10 O ATOM 0 H GLU A 55 12.671 3.641 -24.345 1.00 11.50 H new ATOM 0 HA GLU A 55 13.385 5.515 -26.305 1.00 14.05 H new ATOM 0 HB2 GLU A 55 12.762 2.970 -26.417 1.00 35.44 H new ATOM 0 HB3 GLU A 55 11.112 3.539 -26.580 1.00 35.44 H new ATOM 0 HG2 GLU A 55 11.520 4.554 -28.656 1.00 32.14 H new ATOM 0 HG3 GLU A 55 13.248 4.656 -28.386 1.00 32.14 H new ATOM 908 N GLY A 56 10.338 5.820 -25.105 1.00 2.35 N ATOM 909 CA GLY A 56 9.193 6.711 -25.069 1.00 63.51 C ATOM 910 C GLY A 56 9.552 8.097 -24.574 1.00 32.22 C ATOM 911 O GLY A 56 9.156 9.098 -25.172 1.00 11.14 O ATOM 0 H GLY A 56 10.297 5.042 -24.446 1.00 2.35 H new ATOM 0 HA2 GLY A 56 8.763 6.785 -26.068 1.00 63.51 H new ATOM 0 HA3 GLY A 56 8.426 6.285 -24.423 1.00 63.51 H new ATOM 915 N CYS A 57 10.301 8.157 -23.478 1.00 40.20 N ATOM 916 CA CYS A 57 10.711 9.432 -22.901 1.00 52.13 C ATOM 917 C CYS A 57 11.434 10.290 -23.935 1.00 22.24 C ATOM 918 O CYS A 57 11.415 11.517 -23.859 1.00 1.52 O ATOM 919 CB CYS A 57 11.616 9.200 -21.690 1.00 71.30 C ATOM 920 SG CYS A 57 10.995 9.924 -20.155 1.00 15.23 S ATOM 0 H CYS A 57 10.636 7.338 -22.972 1.00 40.20 H new ATOM 0 HA CYS A 57 9.814 9.962 -22.579 1.00 52.13 H new ATOM 0 HB2 CYS A 57 11.745 8.127 -21.547 1.00 71.30 H new ATOM 0 HB3 CYS A 57 12.602 9.614 -21.902 1.00 71.30 H new ATOM 0 HG CYS A 57 11.984 10.440 -19.487 1.00 15.23 H new ATOM 926 N GLN A 58 12.071 9.633 -24.899 1.00 2.45 N ATOM 927 CA GLN A 58 12.802 10.336 -25.946 1.00 25.01 C ATOM 928 C GLN A 58 11.844 11.039 -26.902 1.00 21.23 C ATOM 929 O GLN A 58 12.213 12.007 -27.568 1.00 61.43 O ATOM 930 CB GLN A 58 13.689 9.359 -26.722 1.00 3.23 C ATOM 931 CG GLN A 58 14.730 10.044 -27.594 1.00 23.14 C ATOM 932 CD GLN A 58 15.702 9.063 -28.219 1.00 41.54 C ATOM 933 OE1 GLN A 58 15.322 7.960 -28.612 1.00 5.03 O ATOM 934 NE2 GLN A 58 16.965 9.461 -28.316 1.00 54.34 N ATOM 0 H GLN A 58 12.096 8.616 -24.976 1.00 2.45 H new ATOM 0 HA GLN A 58 13.431 11.089 -25.471 1.00 25.01 H new ATOM 0 HB2 GLN A 58 14.195 8.701 -26.016 1.00 3.23 H new ATOM 0 HB3 GLN A 58 13.059 8.729 -27.350 1.00 3.23 H new ATOM 0 HG2 GLN A 58 14.227 10.604 -28.382 1.00 23.14 H new ATOM 0 HG3 GLN A 58 15.284 10.766 -26.994 1.00 23.14 H new ATOM 0 HE21 GLN A 58 17.236 10.384 -27.977 1.00 54.34 H new ATOM 0 HE22 GLN A 58 17.664 8.844 -28.729 1.00 54.34 H new ATOM 943 N LYS A 59 10.611 10.547 -26.964 1.00 11.43 N ATOM 944 CA LYS A 59 9.598 11.128 -27.836 1.00 14.11 C ATOM 945 C LYS A 59 9.000 12.385 -27.213 1.00 74.03 C ATOM 946 O LYS A 59 8.269 13.127 -27.870 1.00 34.42 O ATOM 947 CB LYS A 59 8.492 10.109 -28.116 1.00 20.13 C ATOM 948 CG LYS A 59 8.607 9.444 -29.477 1.00 55.33 C ATOM 949 CD LYS A 59 8.839 7.948 -29.350 1.00 11.33 C ATOM 950 CE LYS A 59 7.551 7.165 -29.555 1.00 1.23 C ATOM 951 NZ LYS A 59 7.804 5.837 -30.179 1.00 31.01 N ATOM 0 H LYS A 59 10.289 9.746 -26.420 1.00 11.43 H new ATOM 0 HA LYS A 59 10.077 11.402 -28.776 1.00 14.11 H new ATOM 0 HB2 LYS A 59 8.513 9.341 -27.343 1.00 20.13 H new ATOM 0 HB3 LYS A 59 7.525 10.607 -28.045 1.00 20.13 H new ATOM 0 HG2 LYS A 59 7.697 9.624 -30.049 1.00 55.33 H new ATOM 0 HG3 LYS A 59 9.428 9.894 -30.034 1.00 55.33 H new ATOM 0 HD2 LYS A 59 9.580 7.630 -30.083 1.00 11.33 H new ATOM 0 HD3 LYS A 59 9.249 7.725 -28.365 1.00 11.33 H new ATOM 0 HE2 LYS A 59 7.053 7.027 -28.595 1.00 1.23 H new ATOM 0 HE3 LYS A 59 6.873 7.740 -30.186 1.00 1.23 H new ATOM 0 HZ1 LYS A 59 6.902 5.334 -30.302 1.00 31.01 H new ATOM 0 HZ2 LYS A 59 8.256 5.970 -31.106 1.00 31.01 H new ATOM 0 HZ3 LYS A 59 8.431 5.279 -29.565 1.00 31.01 H new ATOM 965 N ILE A 60 9.316 12.620 -25.944 1.00 45.14 N ATOM 966 CA ILE A 60 8.812 13.789 -25.235 1.00 24.40 C ATOM 967 C ILE A 60 9.765 14.970 -25.375 1.00 11.51 C ATOM 968 O ILE A 60 9.361 16.066 -25.768 1.00 43.04 O ATOM 969 CB ILE A 60 8.598 13.491 -23.739 1.00 32.23 C ATOM 970 CG1 ILE A 60 7.799 12.198 -23.563 1.00 75.23 C ATOM 971 CG2 ILE A 60 7.889 14.655 -23.063 1.00 61.25 C ATOM 972 CD1 ILE A 60 7.660 11.766 -22.121 1.00 23.53 C ATOM 0 H ILE A 60 9.919 12.016 -25.386 1.00 45.14 H new ATOM 0 HA ILE A 60 7.853 14.043 -25.687 1.00 24.40 H new ATOM 0 HB ILE A 60 9.572 13.361 -23.267 1.00 32.23 H new ATOM 0 HG12 ILE A 60 6.806 12.333 -23.991 1.00 75.23 H new ATOM 0 HG13 ILE A 60 8.283 11.401 -24.128 1.00 75.23 H new ATOM 0 HG21 ILE A 60 7.745 14.429 -22.006 1.00 61.25 H new ATOM 0 HG22 ILE A 60 8.494 15.557 -23.162 1.00 61.25 H new ATOM 0 HG23 ILE A 60 6.920 14.814 -23.535 1.00 61.25 H new ATOM 0 HD11 ILE A 60 7.082 10.843 -22.072 1.00 23.53 H new ATOM 0 HD12 ILE A 60 8.649 11.598 -21.694 1.00 23.53 H new ATOM 0 HD13 ILE A 60 7.148 12.545 -21.556 1.00 23.53 H new ATOM 984 N LEU A 61 11.034 14.742 -25.053 1.00 40.12 N ATOM 985 CA LEU A 61 12.047 15.787 -25.145 1.00 30.10 C ATOM 986 C LEU A 61 12.112 16.360 -26.557 1.00 54.12 C ATOM 987 O LEU A 61 12.430 17.534 -26.749 1.00 55.44 O ATOM 988 CB LEU A 61 13.416 15.235 -24.743 1.00 61.31 C ATOM 989 CG LEU A 61 13.546 14.749 -23.299 1.00 32.20 C ATOM 990 CD1 LEU A 61 14.911 14.122 -23.067 1.00 40.21 C ATOM 991 CD2 LEU A 61 13.311 15.896 -22.327 1.00 4.03 C ATOM 0 H LEU A 61 11.386 13.842 -24.726 1.00 40.12 H new ATOM 0 HA LEU A 61 11.770 16.588 -24.460 1.00 30.10 H new ATOM 0 HB2 LEU A 61 13.661 14.406 -25.408 1.00 61.31 H new ATOM 0 HB3 LEU A 61 14.162 16.011 -24.913 1.00 61.31 H new ATOM 0 HG LEU A 61 12.786 13.988 -23.122 1.00 32.20 H new ATOM 0 HD11 LEU A 61 14.985 13.782 -22.034 1.00 40.21 H new ATOM 0 HD12 LEU A 61 15.040 13.273 -23.738 1.00 40.21 H new ATOM 0 HD13 LEU A 61 15.689 14.861 -23.262 1.00 40.21 H new ATOM 0 HD21 LEU A 61 13.407 15.532 -21.304 1.00 4.03 H new ATOM 0 HD22 LEU A 61 14.048 16.680 -22.504 1.00 4.03 H new ATOM 0 HD23 LEU A 61 12.309 16.299 -22.476 1.00 4.03 H new ATOM 1003 N THR A 62 11.807 15.524 -27.545 1.00 25.41 N ATOM 1004 CA THR A 62 11.830 15.947 -28.939 1.00 21.32 C ATOM 1005 C THR A 62 10.740 16.975 -29.219 1.00 64.12 C ATOM 1006 O THR A 62 10.937 17.906 -30.001 1.00 70.32 O ATOM 1007 CB THR A 62 11.647 14.750 -29.892 1.00 3.54 C ATOM 1008 OG1 THR A 62 12.116 15.091 -31.202 1.00 32.24 O ATOM 1009 CG2 THR A 62 10.187 14.331 -29.962 1.00 1.34 C ATOM 0 H THR A 62 11.541 14.549 -27.405 1.00 25.41 H new ATOM 0 HA THR A 62 12.806 16.398 -29.117 1.00 21.32 H new ATOM 0 HB THR A 62 12.229 13.913 -29.505 1.00 3.54 H new ATOM 0 HG1 THR A 62 11.998 14.325 -31.801 1.00 32.24 H new ATOM 0 HG21 THR A 62 10.084 13.485 -30.641 1.00 1.34 H new ATOM 0 HG22 THR A 62 9.843 14.044 -28.968 1.00 1.34 H new ATOM 0 HG23 THR A 62 9.586 15.164 -30.327 1.00 1.34 H new ATOM 1017 N VAL A 63 9.589 16.801 -28.577 1.00 1.52 N ATOM 1018 CA VAL A 63 8.468 17.716 -28.755 1.00 51.23 C ATOM 1019 C VAL A 63 8.719 19.039 -28.041 1.00 41.33 C ATOM 1020 O VAL A 63 8.585 20.112 -28.631 1.00 42.51 O ATOM 1021 CB VAL A 63 7.156 17.104 -28.234 1.00 34.54 C ATOM 1022 CG1 VAL A 63 6.027 18.120 -28.303 1.00 54.13 C ATOM 1023 CG2 VAL A 63 6.803 15.849 -29.020 1.00 11.12 C ATOM 0 H VAL A 63 9.409 16.034 -27.929 1.00 1.52 H new ATOM 0 HA VAL A 63 8.375 17.897 -29.826 1.00 51.23 H new ATOM 0 HB VAL A 63 7.297 16.824 -27.190 1.00 34.54 H new ATOM 0 HG11 VAL A 63 5.108 17.668 -27.930 1.00 54.13 H new ATOM 0 HG12 VAL A 63 6.279 18.986 -27.692 1.00 54.13 H new ATOM 0 HG13 VAL A 63 5.883 18.435 -29.337 1.00 54.13 H new ATOM 0 HG21 VAL A 63 5.872 15.430 -28.638 1.00 11.12 H new ATOM 0 HG22 VAL A 63 6.681 16.102 -30.073 1.00 11.12 H new ATOM 0 HG23 VAL A 63 7.602 15.116 -28.913 1.00 11.12 H new ATOM 1033 N LEU A 64 9.082 18.956 -26.766 1.00 41.52 N ATOM 1034 CA LEU A 64 9.353 20.148 -25.968 1.00 65.02 C ATOM 1035 C LEU A 64 10.689 20.773 -26.360 1.00 34.32 C ATOM 1036 O LEU A 64 11.001 21.894 -25.958 1.00 72.14 O ATOM 1037 CB LEU A 64 9.357 19.799 -24.479 1.00 61.41 C ATOM 1038 CG LEU A 64 8.194 18.936 -23.989 1.00 50.13 C ATOM 1039 CD1 LEU A 64 8.656 17.989 -22.893 1.00 2.30 C ATOM 1040 CD2 LEU A 64 7.052 19.811 -23.493 1.00 52.13 C ATOM 0 H LEU A 64 9.196 18.076 -26.262 1.00 41.52 H new ATOM 0 HA LEU A 64 8.563 20.873 -26.162 1.00 65.02 H new ATOM 0 HB2 LEU A 64 10.289 19.282 -24.250 1.00 61.41 H new ATOM 0 HB3 LEU A 64 9.360 20.728 -23.909 1.00 61.41 H new ATOM 0 HG LEU A 64 7.832 18.340 -24.827 1.00 50.13 H new ATOM 0 HD11 LEU A 64 7.814 17.383 -22.557 1.00 2.30 H new ATOM 0 HD12 LEU A 64 9.440 17.338 -23.281 1.00 2.30 H new ATOM 0 HD13 LEU A 64 9.046 18.566 -22.054 1.00 2.30 H new ATOM 0 HD21 LEU A 64 6.233 19.180 -23.148 1.00 52.13 H new ATOM 0 HD22 LEU A 64 7.402 20.433 -22.669 1.00 52.13 H new ATOM 0 HD23 LEU A 64 6.702 20.448 -24.306 1.00 52.13 H new ATOM 1052 N ASP A 65 11.470 20.042 -27.147 1.00 2.22 N ATOM 1053 CA ASP A 65 12.771 20.526 -27.596 1.00 35.03 C ATOM 1054 C ASP A 65 12.635 21.874 -28.298 1.00 42.43 C ATOM 1055 O ASP A 65 13.138 22.898 -27.833 1.00 31.32 O ATOM 1056 CB ASP A 65 13.420 19.510 -28.535 1.00 2.04 C ATOM 1057 CG ASP A 65 14.620 18.828 -27.909 1.00 43.41 C ATOM 1058 OD1 ASP A 65 14.696 18.785 -26.662 1.00 43.34 O ATOM 1059 OD2 ASP A 65 15.484 18.336 -28.664 1.00 60.10 O ATOM 0 H ASP A 65 11.225 19.112 -27.488 1.00 2.22 H new ATOM 0 HA ASP A 65 13.406 20.655 -26.720 1.00 35.03 H new ATOM 0 HB2 ASP A 65 12.684 18.757 -28.816 1.00 2.04 H new ATOM 0 HB3 ASP A 65 13.728 20.012 -29.452 1.00 2.04 H new ATOM 1064 N PRO A 66 11.942 21.876 -29.446 1.00 65.24 N ATOM 1065 CA PRO A 66 11.726 23.090 -30.238 1.00 2.42 C ATOM 1066 C PRO A 66 10.780 24.069 -29.552 1.00 14.41 C ATOM 1067 O PRO A 66 10.542 25.169 -30.049 1.00 13.33 O ATOM 1068 CB PRO A 66 11.103 22.564 -31.533 1.00 64.13 C ATOM 1069 CG PRO A 66 10.458 21.278 -31.147 1.00 54.04 C ATOM 1070 CD PRO A 66 11.317 20.693 -30.060 1.00 54.20 C ATOM 0 HA PRO A 66 12.651 23.647 -30.389 1.00 2.42 H new ATOM 0 HB2 PRO A 66 10.374 23.267 -31.936 1.00 64.13 H new ATOM 0 HB3 PRO A 66 11.859 22.412 -32.303 1.00 64.13 H new ATOM 0 HG2 PRO A 66 9.440 21.443 -30.794 1.00 54.04 H new ATOM 0 HG3 PRO A 66 10.394 20.602 -32.000 1.00 54.04 H new ATOM 0 HD2 PRO A 66 10.724 20.131 -29.338 1.00 54.20 H new ATOM 0 HD3 PRO A 66 12.063 20.008 -30.462 1.00 54.20 H new ATOM 1078 N MET A 67 10.244 23.662 -28.406 1.00 71.12 N ATOM 1079 CA MET A 67 9.324 24.505 -27.650 1.00 41.34 C ATOM 1080 C MET A 67 10.025 25.136 -26.452 1.00 32.22 C ATOM 1081 O MET A 67 9.536 26.107 -25.875 1.00 10.30 O ATOM 1082 CB MET A 67 8.119 23.688 -27.180 1.00 2.11 C ATOM 1083 CG MET A 67 6.807 24.118 -27.814 1.00 41.14 C ATOM 1084 SD MET A 67 6.802 23.914 -29.606 1.00 4.11 S ATOM 1085 CE MET A 67 6.857 25.623 -30.142 1.00 34.45 C ATOM 0 H MET A 67 10.431 22.754 -27.980 1.00 71.12 H new ATOM 0 HA MET A 67 8.978 25.303 -28.307 1.00 41.34 H new ATOM 0 HB2 MET A 67 8.294 22.636 -27.405 1.00 2.11 H new ATOM 0 HB3 MET A 67 8.034 23.772 -26.097 1.00 2.11 H new ATOM 0 HG2 MET A 67 5.992 23.536 -27.384 1.00 41.14 H new ATOM 0 HG3 MET A 67 6.616 25.163 -27.571 1.00 41.14 H new ATOM 0 HE1 MET A 67 6.410 25.708 -31.132 1.00 34.45 H new ATOM 0 HE2 MET A 67 6.301 26.243 -29.438 1.00 34.45 H new ATOM 0 HE3 MET A 67 7.893 25.959 -30.182 1.00 34.45 H new ATOM 1095 N VAL A 68 11.174 24.578 -26.083 1.00 20.22 N ATOM 1096 CA VAL A 68 11.943 25.087 -24.953 1.00 74.14 C ATOM 1097 C VAL A 68 12.102 26.601 -25.034 1.00 60.23 C ATOM 1098 O VAL A 68 11.722 27.340 -24.126 1.00 75.33 O ATOM 1099 CB VAL A 68 13.338 24.438 -24.886 1.00 31.22 C ATOM 1100 CG1 VAL A 68 14.351 25.409 -24.299 1.00 15.30 C ATOM 1101 CG2 VAL A 68 13.288 23.152 -24.075 1.00 52.01 C ATOM 0 H VAL A 68 11.593 23.774 -26.550 1.00 20.22 H new ATOM 0 HA VAL A 68 11.388 24.831 -24.051 1.00 74.14 H new ATOM 0 HB VAL A 68 13.654 24.190 -25.899 1.00 31.22 H new ATOM 0 HG11 VAL A 68 15.331 24.933 -24.259 1.00 15.30 H new ATOM 0 HG12 VAL A 68 14.406 26.300 -24.924 1.00 15.30 H new ATOM 0 HG13 VAL A 68 14.044 25.691 -23.292 1.00 15.30 H new ATOM 0 HG21 VAL A 68 14.282 22.706 -24.038 1.00 52.01 H new ATOM 0 HG22 VAL A 68 12.951 23.373 -23.062 1.00 52.01 H new ATOM 0 HG23 VAL A 68 12.595 22.453 -24.543 1.00 52.01 H new ATOM 1111 N PRO A 69 12.677 27.076 -26.149 1.00 13.51 N ATOM 1112 CA PRO A 69 12.899 28.508 -26.377 1.00 35.33 C ATOM 1113 C PRO A 69 11.597 29.267 -26.607 1.00 34.12 C ATOM 1114 O PRO A 69 11.428 30.392 -26.135 1.00 43.21 O ATOM 1115 CB PRO A 69 13.764 28.536 -27.639 1.00 54.32 C ATOM 1116 CG PRO A 69 13.443 27.265 -28.347 1.00 53.54 C ATOM 1117 CD PRO A 69 13.154 26.254 -27.274 1.00 22.22 C ATOM 0 HA PRO A 69 13.361 28.991 -25.516 1.00 35.33 H new ATOM 0 HB2 PRO A 69 13.533 29.403 -28.258 1.00 54.32 H new ATOM 0 HB3 PRO A 69 14.824 28.594 -27.391 1.00 54.32 H new ATOM 0 HG2 PRO A 69 12.584 27.392 -29.005 1.00 53.54 H new ATOM 0 HG3 PRO A 69 14.278 26.944 -28.970 1.00 53.54 H new ATOM 0 HD2 PRO A 69 12.401 25.534 -27.593 1.00 22.22 H new ATOM 0 HD3 PRO A 69 14.045 25.686 -27.007 1.00 22.22 H new ATOM 1125 N THR A 70 10.675 28.644 -27.336 1.00 30.20 N ATOM 1126 CA THR A 70 9.387 29.262 -27.629 1.00 24.32 C ATOM 1127 C THR A 70 8.305 28.751 -26.685 1.00 73.42 C ATOM 1128 O THR A 70 7.158 28.556 -27.087 1.00 21.20 O ATOM 1129 CB THR A 70 8.954 28.992 -29.083 1.00 14.42 C ATOM 1130 OG1 THR A 70 10.105 28.783 -29.906 1.00 40.32 O ATOM 1131 CG2 THR A 70 8.138 30.154 -29.628 1.00 14.33 C ATOM 0 H THR A 70 10.796 27.713 -27.734 1.00 30.20 H new ATOM 0 HA THR A 70 9.511 30.336 -27.487 1.00 24.32 H new ATOM 0 HB THR A 70 8.334 28.096 -29.094 1.00 14.42 H new ATOM 0 HG1 THR A 70 9.821 28.610 -30.828 1.00 40.32 H new ATOM 0 HG21 THR A 70 7.843 29.941 -30.656 1.00 14.33 H new ATOM 0 HG22 THR A 70 7.247 30.291 -29.016 1.00 14.33 H new ATOM 0 HG23 THR A 70 8.738 31.063 -29.604 1.00 14.33 H new ATOM 1139 N GLY A 71 8.676 28.537 -25.426 1.00 52.12 N ATOM 1140 CA GLY A 71 7.725 28.051 -24.445 1.00 20.33 C ATOM 1141 C GLY A 71 7.921 28.688 -23.082 1.00 65.42 C ATOM 1142 O GLY A 71 9.035 29.071 -22.724 1.00 54.20 O ATOM 0 H GLY A 71 9.619 28.692 -25.069 1.00 52.12 H new ATOM 0 HA2 GLY A 71 6.712 28.252 -24.794 1.00 20.33 H new ATOM 0 HA3 GLY A 71 7.822 26.969 -24.354 1.00 20.33 H new ATOM 1146 N SER A 72 6.837 28.800 -22.322 1.00 12.22 N ATOM 1147 CA SER A 72 6.894 29.399 -20.993 1.00 41.53 C ATOM 1148 C SER A 72 7.607 28.475 -20.011 1.00 54.42 C ATOM 1149 O SER A 72 7.993 27.361 -20.361 1.00 25.25 O ATOM 1150 CB SER A 72 5.483 29.708 -20.489 1.00 41.54 C ATOM 1151 OG SER A 72 4.938 28.602 -19.791 1.00 70.03 O ATOM 0 H SER A 72 5.909 28.484 -22.603 1.00 12.22 H new ATOM 0 HA SER A 72 7.458 30.329 -21.064 1.00 41.53 H new ATOM 0 HB2 SER A 72 5.510 30.578 -19.833 1.00 41.54 H new ATOM 0 HB3 SER A 72 4.840 29.963 -21.331 1.00 41.54 H new ATOM 0 HG SER A 72 4.037 28.825 -19.478 1.00 70.03 H new ATOM 1157 N GLU A 73 7.778 28.950 -18.781 1.00 21.51 N ATOM 1158 CA GLU A 73 8.445 28.166 -17.747 1.00 23.50 C ATOM 1159 C GLU A 73 7.721 26.843 -17.515 1.00 34.34 C ATOM 1160 O GLU A 73 8.350 25.807 -17.303 1.00 71.02 O ATOM 1161 CB GLU A 73 8.514 28.959 -16.440 1.00 40.22 C ATOM 1162 CG GLU A 73 9.899 28.983 -15.816 1.00 20.23 C ATOM 1163 CD GLU A 73 10.542 27.610 -15.771 1.00 24.24 C ATOM 1164 OE1 GLU A 73 9.987 26.716 -15.098 1.00 5.20 O ATOM 1165 OE2 GLU A 73 11.600 27.430 -16.409 1.00 4.03 O ATOM 0 H GLU A 73 7.465 29.872 -18.476 1.00 21.51 H new ATOM 0 HA GLU A 73 9.458 27.951 -18.087 1.00 23.50 H new ATOM 0 HB2 GLU A 73 8.192 29.983 -16.629 1.00 40.22 H new ATOM 0 HB3 GLU A 73 7.811 28.530 -15.727 1.00 40.22 H new ATOM 0 HG2 GLU A 73 10.537 29.661 -16.383 1.00 20.23 H new ATOM 0 HG3 GLU A 73 9.831 29.382 -14.804 1.00 20.23 H new ATOM 1172 N ASN A 74 6.393 26.888 -17.554 1.00 21.21 N ATOM 1173 CA ASN A 74 5.582 25.693 -17.346 1.00 51.01 C ATOM 1174 C ASN A 74 5.982 24.588 -18.319 1.00 71.52 C ATOM 1175 O ASN A 74 5.782 23.404 -18.046 1.00 3.13 O ATOM 1176 CB ASN A 74 4.097 26.024 -17.514 1.00 5.43 C ATOM 1177 CG ASN A 74 3.337 25.953 -16.203 1.00 51.05 C ATOM 1178 OD1 ASN A 74 2.803 26.955 -15.729 1.00 31.51 O ATOM 1179 ND2 ASN A 74 3.286 24.764 -15.613 1.00 41.12 N ATOM 0 H ASN A 74 5.856 27.738 -17.727 1.00 21.21 H new ATOM 0 HA ASN A 74 5.756 25.338 -16.330 1.00 51.01 H new ATOM 0 HB2 ASN A 74 3.996 27.024 -17.936 1.00 5.43 H new ATOM 0 HB3 ASN A 74 3.651 25.331 -18.227 1.00 5.43 H new ATOM 0 HD21 ASN A 74 2.789 24.654 -14.729 1.00 41.12 H new ATOM 0 HD22 ASN A 74 3.744 23.961 -16.044 1.00 41.12 H new ATOM 1186 N LEU A 75 6.547 24.983 -19.454 1.00 52.53 N ATOM 1187 CA LEU A 75 6.976 24.027 -20.469 1.00 33.44 C ATOM 1188 C LEU A 75 8.451 23.676 -20.298 1.00 33.43 C ATOM 1189 O LEU A 75 8.917 22.649 -20.791 1.00 22.41 O ATOM 1190 CB LEU A 75 6.735 24.595 -21.868 1.00 62.33 C ATOM 1191 CG LEU A 75 7.151 23.701 -23.037 1.00 21.12 C ATOM 1192 CD1 LEU A 75 6.099 23.732 -24.134 1.00 54.24 C ATOM 1193 CD2 LEU A 75 8.506 24.132 -23.581 1.00 71.21 C ATOM 0 H LEU A 75 6.719 25.959 -19.695 1.00 52.53 H new ATOM 0 HA LEU A 75 6.388 23.117 -20.347 1.00 33.44 H new ATOM 0 HB2 LEU A 75 5.673 24.820 -21.969 1.00 62.33 H new ATOM 0 HB3 LEU A 75 7.271 25.541 -21.952 1.00 62.33 H new ATOM 0 HG LEU A 75 7.236 22.677 -22.674 1.00 21.12 H new ATOM 0 HD11 LEU A 75 6.413 23.090 -24.957 1.00 54.24 H new ATOM 0 HD12 LEU A 75 5.149 23.375 -23.737 1.00 54.24 H new ATOM 0 HD13 LEU A 75 5.980 24.753 -24.495 1.00 54.24 H new ATOM 0 HD21 LEU A 75 8.787 23.485 -24.412 1.00 71.21 H new ATOM 0 HD22 LEU A 75 8.447 25.164 -23.928 1.00 71.21 H new ATOM 0 HD23 LEU A 75 9.255 24.056 -22.793 1.00 71.21 H new ATOM 1205 N LYS A 76 9.179 24.534 -19.592 1.00 23.52 N ATOM 1206 CA LYS A 76 10.600 24.314 -19.351 1.00 12.53 C ATOM 1207 C LYS A 76 10.814 23.424 -18.131 1.00 13.14 C ATOM 1208 O LYS A 76 11.787 22.674 -18.061 1.00 4.42 O ATOM 1209 CB LYS A 76 11.317 25.652 -19.152 1.00 64.10 C ATOM 1210 CG LYS A 76 11.778 26.293 -20.448 1.00 53.44 C ATOM 1211 CD LYS A 76 12.722 27.456 -20.192 1.00 4.54 C ATOM 1212 CE LYS A 76 13.547 27.788 -21.425 1.00 51.31 C ATOM 1213 NZ LYS A 76 13.624 29.256 -21.662 1.00 51.52 N ATOM 0 H LYS A 76 8.808 25.389 -19.176 1.00 23.52 H new ATOM 0 HA LYS A 76 11.017 23.811 -20.223 1.00 12.53 H new ATOM 0 HB2 LYS A 76 10.648 26.340 -18.634 1.00 64.10 H new ATOM 0 HB3 LYS A 76 12.181 25.499 -18.505 1.00 64.10 H new ATOM 0 HG2 LYS A 76 12.278 25.547 -21.066 1.00 53.44 H new ATOM 0 HG3 LYS A 76 10.912 26.643 -21.009 1.00 53.44 H new ATOM 0 HD2 LYS A 76 12.148 28.332 -19.891 1.00 4.54 H new ATOM 0 HD3 LYS A 76 13.387 27.210 -19.364 1.00 4.54 H new ATOM 0 HE2 LYS A 76 14.553 27.386 -21.308 1.00 51.31 H new ATOM 0 HE3 LYS A 76 13.109 27.302 -22.297 1.00 51.31 H new ATOM 0 HZ1 LYS A 76 14.195 29.441 -22.511 1.00 51.52 H new ATOM 0 HZ2 LYS A 76 12.666 29.636 -21.799 1.00 51.52 H new ATOM 0 HZ3 LYS A 76 14.065 29.718 -20.841 1.00 51.52 H new ATOM 1227 N SER A 77 9.897 23.511 -17.173 1.00 32.22 N ATOM 1228 CA SER A 77 9.987 22.715 -15.954 1.00 63.34 C ATOM 1229 C SER A 77 9.774 21.234 -16.256 1.00 41.24 C ATOM 1230 O SER A 77 10.509 20.377 -15.766 1.00 24.34 O ATOM 1231 CB SER A 77 8.955 23.192 -14.931 1.00 24.24 C ATOM 1232 OG SER A 77 9.548 24.050 -13.971 1.00 31.22 O ATOM 0 H SER A 77 9.083 24.124 -17.217 1.00 32.22 H new ATOM 0 HA SER A 77 10.986 22.844 -15.538 1.00 63.34 H new ATOM 0 HB2 SER A 77 8.147 23.716 -15.442 1.00 24.24 H new ATOM 0 HB3 SER A 77 8.511 22.332 -14.430 1.00 24.24 H new ATOM 0 HG SER A 77 9.689 24.936 -14.366 1.00 31.22 H new ATOM 1238 N LEU A 78 8.762 20.942 -17.066 1.00 25.20 N ATOM 1239 CA LEU A 78 8.451 19.565 -17.435 1.00 12.42 C ATOM 1240 C LEU A 78 9.518 18.995 -18.365 1.00 34.14 C ATOM 1241 O LEU A 78 9.702 17.781 -18.445 1.00 32.33 O ATOM 1242 CB LEU A 78 7.079 19.495 -18.109 1.00 23.23 C ATOM 1243 CG LEU A 78 6.676 18.130 -18.668 1.00 1.21 C ATOM 1244 CD1 LEU A 78 6.696 17.076 -17.572 1.00 14.22 C ATOM 1245 CD2 LEU A 78 5.299 18.204 -19.314 1.00 41.23 C ATOM 0 H LEU A 78 8.143 21.640 -17.479 1.00 25.20 H new ATOM 0 HA LEU A 78 8.433 18.966 -16.525 1.00 12.42 H new ATOM 0 HB2 LEU A 78 6.325 19.807 -17.386 1.00 23.23 H new ATOM 0 HB3 LEU A 78 7.059 20.219 -18.923 1.00 23.23 H new ATOM 0 HG LEU A 78 7.400 17.844 -19.431 1.00 1.21 H new ATOM 0 HD11 LEU A 78 6.406 16.112 -17.989 1.00 14.22 H new ATOM 0 HD12 LEU A 78 7.700 17.004 -17.155 1.00 14.22 H new ATOM 0 HD13 LEU A 78 5.996 17.356 -16.785 1.00 14.22 H new ATOM 0 HD21 LEU A 78 5.028 17.224 -19.706 1.00 41.23 H new ATOM 0 HD22 LEU A 78 4.564 18.513 -18.570 1.00 41.23 H new ATOM 0 HD23 LEU A 78 5.318 18.928 -20.128 1.00 41.23 H new ATOM 1257 N PHE A 79 10.219 19.881 -19.065 1.00 74.21 N ATOM 1258 CA PHE A 79 11.268 19.467 -19.989 1.00 44.01 C ATOM 1259 C PHE A 79 12.506 18.997 -19.230 1.00 63.42 C ATOM 1260 O PHE A 79 13.146 18.018 -19.612 1.00 0.43 O ATOM 1261 CB PHE A 79 11.637 20.619 -20.925 1.00 14.42 C ATOM 1262 CG PHE A 79 12.816 20.321 -21.807 1.00 51.22 C ATOM 1263 CD1 PHE A 79 12.716 19.391 -22.829 1.00 53.21 C ATOM 1264 CD2 PHE A 79 14.024 20.972 -21.613 1.00 63.52 C ATOM 1265 CE1 PHE A 79 13.798 19.116 -23.643 1.00 63.50 C ATOM 1266 CE2 PHE A 79 15.110 20.699 -22.425 1.00 12.15 C ATOM 1267 CZ PHE A 79 14.997 19.769 -23.439 1.00 42.25 C ATOM 0 H PHE A 79 10.079 20.890 -19.010 1.00 74.21 H new ATOM 0 HA PHE A 79 10.888 18.635 -20.581 1.00 44.01 H new ATOM 0 HB2 PHE A 79 10.777 20.858 -21.550 1.00 14.42 H new ATOM 0 HB3 PHE A 79 11.854 21.505 -20.329 1.00 14.42 H new ATOM 0 HD1 PHE A 79 11.781 18.875 -22.991 1.00 53.21 H new ATOM 0 HD2 PHE A 79 14.118 21.699 -20.820 1.00 63.52 H new ATOM 0 HE1 PHE A 79 13.706 18.391 -24.438 1.00 63.50 H new ATOM 0 HE2 PHE A 79 16.046 21.213 -22.266 1.00 12.15 H new ATOM 0 HZ PHE A 79 15.845 19.553 -24.072 1.00 42.25 H new ATOM 1277 N ASN A 80 12.835 19.702 -18.154 1.00 4.41 N ATOM 1278 CA ASN A 80 13.997 19.358 -17.341 1.00 43.55 C ATOM 1279 C ASN A 80 13.764 18.055 -16.584 1.00 24.14 C ATOM 1280 O ASN A 80 14.702 17.302 -16.317 1.00 12.01 O ATOM 1281 CB ASN A 80 14.308 20.486 -16.356 1.00 0.02 C ATOM 1282 CG ASN A 80 13.902 20.142 -14.936 1.00 2.13 C ATOM 1283 OD1 ASN A 80 14.533 19.311 -14.282 1.00 64.12 O ATOM 1284 ND2 ASN A 80 12.843 20.780 -14.452 1.00 30.32 N ATOM 0 H ASN A 80 12.315 20.515 -17.824 1.00 4.41 H new ATOM 0 HA ASN A 80 14.849 19.222 -18.007 1.00 43.55 H new ATOM 0 HB2 ASN A 80 15.376 20.704 -16.383 1.00 0.02 H new ATOM 0 HB3 ASN A 80 13.790 21.392 -16.670 1.00 0.02 H new ATOM 0 HD21 ASN A 80 12.522 20.589 -13.503 1.00 30.32 H new ATOM 0 HD22 ASN A 80 12.350 21.461 -15.029 1.00 30.32 H new ATOM 1291 N THR A 81 12.508 17.794 -16.237 1.00 72.55 N ATOM 1292 CA THR A 81 12.150 16.583 -15.510 1.00 3.30 C ATOM 1293 C THR A 81 12.203 15.360 -16.419 1.00 31.13 C ATOM 1294 O THR A 81 12.620 14.280 -16.000 1.00 51.13 O ATOM 1295 CB THR A 81 10.743 16.691 -14.895 1.00 13.43 C ATOM 1296 OG1 THR A 81 10.685 17.805 -13.997 1.00 41.31 O ATOM 1297 CG2 THR A 81 10.377 15.415 -14.152 1.00 23.11 C ATOM 0 H THR A 81 11.720 18.407 -16.448 1.00 72.55 H new ATOM 0 HA THR A 81 12.880 16.469 -14.709 1.00 3.30 H new ATOM 0 HB THR A 81 10.028 16.839 -15.704 1.00 13.43 H new ATOM 0 HG1 THR A 81 10.630 18.637 -14.511 1.00 41.31 H new ATOM 0 HG21 THR A 81 9.379 15.516 -13.726 1.00 23.11 H new ATOM 0 HG22 THR A 81 10.393 14.573 -14.844 1.00 23.11 H new ATOM 0 HG23 THR A 81 11.097 15.241 -13.352 1.00 23.11 H new ATOM 1305 N VAL A 82 11.778 15.536 -17.666 1.00 33.30 N ATOM 1306 CA VAL A 82 11.778 14.447 -18.635 1.00 62.24 C ATOM 1307 C VAL A 82 13.194 13.945 -18.898 1.00 72.01 C ATOM 1308 O VAL A 82 13.415 12.747 -19.076 1.00 14.32 O ATOM 1309 CB VAL A 82 11.143 14.882 -19.969 1.00 54.34 C ATOM 1310 CG1 VAL A 82 11.296 13.789 -21.015 1.00 75.14 C ATOM 1311 CG2 VAL A 82 9.679 15.241 -19.770 1.00 55.12 C ATOM 0 H VAL A 82 11.429 16.423 -18.029 1.00 33.30 H new ATOM 0 HA VAL A 82 11.184 13.641 -18.205 1.00 62.24 H new ATOM 0 HB VAL A 82 11.665 15.769 -20.328 1.00 54.34 H new ATOM 0 HG11 VAL A 82 10.841 14.115 -21.951 1.00 75.14 H new ATOM 0 HG12 VAL A 82 12.355 13.586 -21.177 1.00 75.14 H new ATOM 0 HG13 VAL A 82 10.802 12.882 -20.668 1.00 75.14 H new ATOM 0 HG21 VAL A 82 9.246 15.546 -20.723 1.00 55.12 H new ATOM 0 HG22 VAL A 82 9.140 14.374 -19.388 1.00 55.12 H new ATOM 0 HG23 VAL A 82 9.599 16.061 -19.056 1.00 55.12 H new ATOM 1321 N CYS A 83 14.147 14.869 -18.921 1.00 2.14 N ATOM 1322 CA CYS A 83 15.543 14.521 -19.162 1.00 2.32 C ATOM 1323 C CYS A 83 16.076 13.612 -18.059 1.00 33.53 C ATOM 1324 O CYS A 83 16.874 12.710 -18.315 1.00 31.03 O ATOM 1325 CB CYS A 83 16.397 15.787 -19.254 1.00 3.12 C ATOM 1326 SG CYS A 83 16.696 16.355 -20.944 1.00 62.31 S ATOM 0 H CYS A 83 13.979 15.865 -18.776 1.00 2.14 H new ATOM 0 HA CYS A 83 15.599 13.984 -20.109 1.00 2.32 H new ATOM 0 HB2 CYS A 83 15.907 16.584 -18.696 1.00 3.12 H new ATOM 0 HB3 CYS A 83 17.356 15.602 -18.770 1.00 3.12 H new ATOM 0 HG CYS A 83 16.218 17.555 -21.090 1.00 62.31 H new ATOM 1332 N VAL A 84 15.629 13.856 -16.831 1.00 71.04 N ATOM 1333 CA VAL A 84 16.061 13.060 -15.689 1.00 13.15 C ATOM 1334 C VAL A 84 15.484 11.651 -15.751 1.00 34.11 C ATOM 1335 O VAL A 84 16.177 10.673 -15.469 1.00 42.33 O ATOM 1336 CB VAL A 84 15.643 13.715 -14.358 1.00 2.31 C ATOM 1337 CG1 VAL A 84 16.038 12.835 -13.183 1.00 34.15 C ATOM 1338 CG2 VAL A 84 16.262 15.099 -14.229 1.00 73.30 C ATOM 0 H VAL A 84 14.968 14.598 -16.602 1.00 71.04 H new ATOM 0 HA VAL A 84 17.149 13.007 -15.734 1.00 13.15 H new ATOM 0 HB VAL A 84 14.558 13.824 -14.351 1.00 2.31 H new ATOM 0 HG11 VAL A 84 15.735 13.314 -12.252 1.00 34.15 H new ATOM 0 HG12 VAL A 84 15.544 11.867 -13.271 1.00 34.15 H new ATOM 0 HG13 VAL A 84 17.119 12.692 -13.182 1.00 34.15 H new ATOM 0 HG21 VAL A 84 15.957 15.547 -13.284 1.00 73.30 H new ATOM 0 HG22 VAL A 84 17.348 15.016 -14.257 1.00 73.30 H new ATOM 0 HG23 VAL A 84 15.925 15.727 -15.054 1.00 73.30 H new ATOM 1348 N ILE A 85 14.212 11.554 -16.122 1.00 73.23 N ATOM 1349 CA ILE A 85 13.542 10.264 -16.224 1.00 21.31 C ATOM 1350 C ILE A 85 14.168 9.404 -17.317 1.00 61.52 C ATOM 1351 O ILE A 85 14.364 8.201 -17.139 1.00 41.44 O ATOM 1352 CB ILE A 85 12.039 10.431 -16.515 1.00 71.22 C ATOM 1353 CG1 ILE A 85 11.349 11.146 -15.353 1.00 55.22 C ATOM 1354 CG2 ILE A 85 11.395 9.075 -16.768 1.00 54.32 C ATOM 1355 CD1 ILE A 85 11.050 10.242 -14.178 1.00 71.13 C ATOM 0 H ILE A 85 13.625 12.354 -16.357 1.00 73.23 H new ATOM 0 HA ILE A 85 13.664 9.769 -15.261 1.00 21.31 H new ATOM 0 HB ILE A 85 11.923 11.040 -17.412 1.00 71.22 H new ATOM 0 HG12 ILE A 85 11.981 11.968 -15.017 1.00 55.22 H new ATOM 0 HG13 ILE A 85 10.417 11.585 -15.709 1.00 55.22 H new ATOM 0 HG21 ILE A 85 10.333 9.209 -16.972 1.00 54.32 H new ATOM 0 HG22 ILE A 85 11.872 8.600 -17.625 1.00 54.32 H new ATOM 0 HG23 ILE A 85 11.518 8.444 -15.888 1.00 54.32 H new ATOM 0 HD11 ILE A 85 10.561 10.817 -13.392 1.00 71.13 H new ATOM 0 HD12 ILE A 85 10.393 9.434 -14.499 1.00 71.13 H new ATOM 0 HD13 ILE A 85 11.981 9.823 -13.795 1.00 71.13 H new ATOM 1367 N TRP A 86 14.480 10.029 -18.447 1.00 4.12 N ATOM 1368 CA TRP A 86 15.087 9.321 -19.569 1.00 20.41 C ATOM 1369 C TRP A 86 16.487 8.835 -19.213 1.00 2.13 C ATOM 1370 O TRP A 86 16.849 7.693 -19.500 1.00 44.34 O ATOM 1371 CB TRP A 86 15.145 10.228 -20.799 1.00 2.31 C ATOM 1372 CG TRP A 86 15.726 9.555 -22.006 1.00 71.13 C ATOM 1373 CD1 TRP A 86 15.048 8.833 -22.946 1.00 71.44 C ATOM 1374 CD2 TRP A 86 17.102 9.540 -22.401 1.00 32.14 C ATOM 1375 NE1 TRP A 86 15.920 8.371 -23.902 1.00 64.14 N ATOM 1376 CE2 TRP A 86 17.186 8.792 -23.591 1.00 35.20 C ATOM 1377 CE3 TRP A 86 18.270 10.089 -21.866 1.00 11.22 C ATOM 1378 CZ2 TRP A 86 18.393 8.578 -24.252 1.00 14.15 C ATOM 1379 CZ3 TRP A 86 19.468 9.876 -22.522 1.00 73.22 C ATOM 1380 CH2 TRP A 86 19.521 9.126 -23.705 1.00 12.12 C ATOM 0 H TRP A 86 14.323 11.023 -18.611 1.00 4.12 H new ATOM 0 HA TRP A 86 14.469 8.452 -19.796 1.00 20.41 H new ATOM 0 HB2 TRP A 86 14.139 10.574 -21.034 1.00 2.31 H new ATOM 0 HB3 TRP A 86 15.739 11.111 -20.563 1.00 2.31 H new ATOM 0 HD1 TRP A 86 13.983 8.652 -22.939 1.00 71.44 H new ATOM 0 HE1 TRP A 86 15.666 7.806 -24.712 1.00 64.14 H new ATOM 0 HE3 TRP A 86 18.238 10.670 -20.956 1.00 11.22 H new ATOM 0 HZ2 TRP A 86 18.437 8.000 -25.163 1.00 14.15 H new ATOM 0 HZ3 TRP A 86 20.378 10.294 -22.117 1.00 73.22 H new ATOM 0 HH2 TRP A 86 20.472 8.978 -24.195 1.00 12.12 H new ATOM 1391 N CYS A 87 17.270 9.706 -18.587 1.00 61.43 N ATOM 1392 CA CYS A 87 18.633 9.365 -18.192 1.00 71.33 C ATOM 1393 C CYS A 87 18.646 8.127 -17.302 1.00 63.13 C ATOM 1394 O CYS A 87 19.369 7.166 -17.569 1.00 15.44 O ATOM 1395 CB CYS A 87 19.284 10.540 -17.463 1.00 51.50 C ATOM 1396 SG CYS A 87 20.054 11.754 -18.560 1.00 44.20 S ATOM 0 H CYS A 87 16.985 10.654 -18.342 1.00 61.43 H new ATOM 0 HA CYS A 87 19.204 9.147 -19.095 1.00 71.33 H new ATOM 0 HB2 CYS A 87 18.529 11.041 -16.857 1.00 51.50 H new ATOM 0 HB3 CYS A 87 20.039 10.155 -16.778 1.00 51.50 H new ATOM 0 HG CYS A 87 19.171 12.640 -18.914 1.00 44.20 H new ATOM 1402 N ILE A 88 17.845 8.157 -16.243 1.00 10.34 N ATOM 1403 CA ILE A 88 17.766 7.037 -15.312 1.00 52.41 C ATOM 1404 C ILE A 88 17.571 5.720 -16.054 1.00 34.34 C ATOM 1405 O ILE A 88 18.158 4.700 -15.693 1.00 65.24 O ATOM 1406 CB ILE A 88 16.615 7.223 -14.306 1.00 24.55 C ATOM 1407 CG1 ILE A 88 16.829 8.495 -13.482 1.00 23.25 C ATOM 1408 CG2 ILE A 88 16.506 6.008 -13.397 1.00 2.25 C ATOM 1409 CD1 ILE A 88 15.544 9.100 -12.962 1.00 3.04 C ATOM 0 H ILE A 88 17.241 8.945 -16.008 1.00 10.34 H new ATOM 0 HA ILE A 88 18.711 7.009 -14.769 1.00 52.41 H new ATOM 0 HB ILE A 88 15.681 7.324 -14.859 1.00 24.55 H new ATOM 0 HG12 ILE A 88 17.481 8.267 -12.639 1.00 23.25 H new ATOM 0 HG13 ILE A 88 17.347 9.233 -14.095 1.00 23.25 H new ATOM 0 HG21 ILE A 88 15.688 6.154 -12.691 1.00 2.25 H new ATOM 0 HG22 ILE A 88 16.312 5.120 -13.998 1.00 2.25 H new ATOM 0 HG23 ILE A 88 17.439 5.879 -12.849 1.00 2.25 H new ATOM 0 HD11 ILE A 88 15.771 9.998 -12.387 1.00 3.04 H new ATOM 0 HD12 ILE A 88 14.898 9.360 -13.801 1.00 3.04 H new ATOM 0 HD13 ILE A 88 15.035 8.379 -12.322 1.00 3.04 H new ATOM 1421 N HIS A 89 16.744 5.749 -17.094 1.00 34.31 N ATOM 1422 CA HIS A 89 16.471 4.556 -17.889 1.00 51.43 C ATOM 1423 C HIS A 89 17.575 4.328 -18.918 1.00 4.21 C ATOM 1424 O HIS A 89 17.873 3.162 -19.178 1.00 40.15 O ATOM 1425 CB HIS A 89 15.120 4.684 -18.595 1.00 3.54 C ATOM 1426 CG HIS A 89 13.966 4.840 -17.653 1.00 64.01 C ATOM 1427 ND1 HIS A 89 13.930 4.257 -16.403 1.00 64.23 N ATOM 1428 CD2 HIS A 89 12.802 5.518 -17.783 1.00 41.23 C ATOM 1429 CE1 HIS A 89 12.794 4.570 -15.808 1.00 32.41 C ATOM 1430 NE2 HIS A 89 12.091 5.334 -16.624 1.00 55.41 N ATOM 0 H HIS A 89 16.251 6.585 -17.406 1.00 34.31 H new ATOM 0 HA HIS A 89 16.440 3.699 -17.216 1.00 51.43 H new ATOM 0 HB2 HIS A 89 15.150 5.542 -19.266 1.00 3.54 H new ATOM 0 HB3 HIS A 89 14.957 3.801 -19.214 1.00 3.54 H new ATOM 0 HD2 HIS A 89 12.490 6.097 -18.640 1.00 41.23 H new ATOM 0 HE1 HIS A 89 12.491 4.255 -14.821 1.00 32.41 H new ATOM 0 HE2 HIS A 89 11.170 5.724 -16.425 1.00 55.41 H new ATOM 1438 N ALA A 90 18.169 5.370 -19.488 1.00 15.51 N ATOM 1439 CA ALA A 90 19.230 5.201 -20.474 1.00 13.02 C ATOM 1440 C ALA A 90 20.517 4.715 -19.817 1.00 43.42 C ATOM 1441 O ALA A 90 21.498 4.419 -20.499 1.00 12.31 O ATOM 1442 CB ALA A 90 19.473 6.507 -21.216 1.00 0.55 C ATOM 0 H ALA A 90 17.934 6.341 -19.284 1.00 15.51 H new ATOM 0 HA ALA A 90 18.911 4.444 -21.190 1.00 13.02 H new ATOM 0 HB1 ALA A 90 20.267 6.367 -21.949 1.00 0.55 H new ATOM 0 HB2 ALA A 90 18.559 6.812 -21.726 1.00 0.55 H new ATOM 0 HB3 ALA A 90 19.767 7.280 -20.506 1.00 0.55 H new ATOM 1448 N GLU A 91 20.506 4.636 -18.490 1.00 73.54 N ATOM 1449 CA GLU A 91 21.674 4.187 -17.743 1.00 24.44 C ATOM 1450 C GLU A 91 22.799 5.215 -17.823 1.00 3.22 C ATOM 1451 O GLU A 91 23.952 4.869 -18.083 1.00 12.31 O ATOM 1452 CB GLU A 91 22.162 2.838 -18.277 1.00 14.21 C ATOM 1453 CG GLU A 91 21.038 1.860 -18.576 1.00 40.42 C ATOM 1454 CD GLU A 91 21.480 0.413 -18.467 1.00 53.12 C ATOM 1455 OE1 GLU A 91 22.554 0.078 -19.009 1.00 54.44 O ATOM 1456 OE2 GLU A 91 20.752 -0.383 -17.839 1.00 72.42 O ATOM 0 H GLU A 91 19.702 4.877 -17.911 1.00 73.54 H new ATOM 0 HA GLU A 91 21.383 4.072 -16.699 1.00 24.44 H new ATOM 0 HB2 GLU A 91 22.740 3.004 -19.186 1.00 14.21 H new ATOM 0 HB3 GLU A 91 22.837 2.391 -17.548 1.00 14.21 H new ATOM 0 HG2 GLU A 91 20.214 2.037 -17.885 1.00 40.42 H new ATOM 0 HG3 GLU A 91 20.658 2.045 -19.581 1.00 40.42 H new ATOM 1463 N GLU A 92 22.455 6.479 -17.598 1.00 4.40 N ATOM 1464 CA GLU A 92 23.437 7.557 -17.646 1.00 34.41 C ATOM 1465 C GLU A 92 23.655 8.156 -16.259 1.00 60.44 C ATOM 1466 O GLU A 92 22.716 8.627 -15.618 1.00 74.03 O ATOM 1467 CB GLU A 92 22.981 8.647 -18.618 1.00 63.12 C ATOM 1468 CG GLU A 92 23.072 8.236 -20.079 1.00 13.52 C ATOM 1469 CD GLU A 92 24.500 8.198 -20.585 1.00 42.55 C ATOM 1470 OE1 GLU A 92 25.427 8.174 -19.749 1.00 41.44 O ATOM 1471 OE2 GLU A 92 24.692 8.192 -21.820 1.00 54.22 O ATOM 0 H GLU A 92 21.505 6.782 -17.381 1.00 4.40 H new ATOM 0 HA GLU A 92 24.381 7.140 -17.995 1.00 34.41 H new ATOM 0 HB2 GLU A 92 21.950 8.918 -18.389 1.00 63.12 H new ATOM 0 HB3 GLU A 92 23.588 9.539 -18.462 1.00 63.12 H new ATOM 0 HG2 GLU A 92 22.619 7.252 -20.205 1.00 13.52 H new ATOM 0 HG3 GLU A 92 22.494 8.933 -20.686 1.00 13.52 H new ATOM 1478 N LYS A 93 24.902 8.133 -15.802 1.00 44.10 N ATOM 1479 CA LYS A 93 25.247 8.674 -14.493 1.00 34.03 C ATOM 1480 C LYS A 93 25.186 10.198 -14.499 1.00 35.30 C ATOM 1481 O LYS A 93 25.848 10.852 -15.305 1.00 52.14 O ATOM 1482 CB LYS A 93 26.646 8.211 -14.079 1.00 21.12 C ATOM 1483 CG LYS A 93 26.860 6.714 -14.226 1.00 55.33 C ATOM 1484 CD LYS A 93 28.142 6.265 -13.546 1.00 11.44 C ATOM 1485 CE LYS A 93 29.103 5.626 -14.536 1.00 64.23 C ATOM 1486 NZ LYS A 93 29.770 6.642 -15.396 1.00 43.23 N ATOM 0 H LYS A 93 25.691 7.745 -16.319 1.00 44.10 H new ATOM 0 HA LYS A 93 24.519 8.302 -13.772 1.00 34.03 H new ATOM 0 HB2 LYS A 93 27.387 8.736 -14.682 1.00 21.12 H new ATOM 0 HB3 LYS A 93 26.821 8.494 -13.041 1.00 21.12 H new ATOM 0 HG2 LYS A 93 26.013 6.180 -13.796 1.00 55.33 H new ATOM 0 HG3 LYS A 93 26.897 6.453 -15.284 1.00 55.33 H new ATOM 0 HD2 LYS A 93 28.622 7.121 -13.071 1.00 11.44 H new ATOM 0 HD3 LYS A 93 27.906 5.553 -12.755 1.00 11.44 H new ATOM 0 HE2 LYS A 93 29.858 5.057 -13.994 1.00 64.23 H new ATOM 0 HE3 LYS A 93 28.561 4.919 -15.163 1.00 64.23 H new ATOM 0 HZ1 LYS A 93 30.417 6.166 -16.057 1.00 43.23 H new ATOM 0 HZ2 LYS A 93 29.051 7.168 -15.933 1.00 43.23 H new ATOM 0 HZ3 LYS A 93 30.308 7.302 -14.799 1.00 43.23 H new ATOM 1500 N VAL A 94 24.387 10.758 -13.595 1.00 44.24 N ATOM 1501 CA VAL A 94 24.241 12.205 -13.497 1.00 24.44 C ATOM 1502 C VAL A 94 24.334 12.668 -12.047 1.00 60.04 C ATOM 1503 O VAL A 94 24.158 11.879 -11.118 1.00 41.52 O ATOM 1504 CB VAL A 94 22.900 12.676 -14.089 1.00 62.14 C ATOM 1505 CG1 VAL A 94 22.773 12.233 -15.539 1.00 41.43 C ATOM 1506 CG2 VAL A 94 21.738 12.153 -13.260 1.00 31.15 C ATOM 0 H VAL A 94 23.832 10.231 -12.921 1.00 44.24 H new ATOM 0 HA VAL A 94 25.057 12.645 -14.071 1.00 24.44 H new ATOM 0 HB VAL A 94 22.873 13.765 -14.062 1.00 62.14 H new ATOM 0 HG11 VAL A 94 21.819 12.574 -15.942 1.00 41.43 H new ATOM 0 HG12 VAL A 94 23.588 12.661 -16.123 1.00 41.43 H new ATOM 0 HG13 VAL A 94 22.821 11.145 -15.593 1.00 41.43 H new ATOM 0 HG21 VAL A 94 20.798 12.496 -13.693 1.00 31.15 H new ATOM 0 HG22 VAL A 94 21.758 11.063 -13.253 1.00 31.15 H new ATOM 0 HG23 VAL A 94 21.823 12.524 -12.239 1.00 31.15 H new ATOM 1516 N LYS A 95 24.612 13.954 -11.859 1.00 73.12 N ATOM 1517 CA LYS A 95 24.727 14.526 -10.523 1.00 31.24 C ATOM 1518 C LYS A 95 23.562 15.466 -10.232 1.00 33.01 C ATOM 1519 O LYS A 95 23.046 15.503 -9.114 1.00 74.41 O ATOM 1520 CB LYS A 95 26.051 15.277 -10.379 1.00 44.22 C ATOM 1521 CG LYS A 95 27.021 14.621 -9.412 1.00 63.03 C ATOM 1522 CD LYS A 95 28.105 15.589 -8.965 1.00 52.33 C ATOM 1523 CE LYS A 95 29.253 14.864 -8.282 1.00 64.24 C ATOM 1524 NZ LYS A 95 30.144 15.804 -7.547 1.00 25.30 N ATOM 0 H LYS A 95 24.762 14.620 -12.617 1.00 73.12 H new ATOM 0 HA LYS A 95 24.701 13.709 -9.802 1.00 31.24 H new ATOM 0 HB2 LYS A 95 26.524 15.354 -11.358 1.00 44.22 H new ATOM 0 HB3 LYS A 95 25.848 16.294 -10.043 1.00 44.22 H new ATOM 0 HG2 LYS A 95 26.477 14.256 -8.541 1.00 63.03 H new ATOM 0 HG3 LYS A 95 27.480 13.754 -9.888 1.00 63.03 H new ATOM 0 HD2 LYS A 95 28.482 16.138 -9.828 1.00 52.33 H new ATOM 0 HD3 LYS A 95 27.679 16.323 -8.281 1.00 52.33 H new ATOM 0 HE2 LYS A 95 28.854 14.124 -7.588 1.00 64.24 H new ATOM 0 HE3 LYS A 95 29.834 14.321 -9.027 1.00 64.24 H new ATOM 0 HZ1 LYS A 95 30.914 15.271 -7.095 1.00 25.30 H new ATOM 0 HZ2 LYS A 95 30.545 16.494 -8.213 1.00 25.30 H new ATOM 0 HZ3 LYS A 95 29.596 16.304 -6.819 1.00 25.30 H new ATOM 1538 N ASP A 96 23.152 16.224 -11.243 1.00 4.43 N ATOM 1539 CA ASP A 96 22.046 17.163 -11.096 1.00 2.42 C ATOM 1540 C ASP A 96 21.277 17.306 -12.405 1.00 32.41 C ATOM 1541 O ASP A 96 21.625 16.690 -13.413 1.00 72.44 O ATOM 1542 CB ASP A 96 22.566 18.529 -10.644 1.00 41.31 C ATOM 1543 CG ASP A 96 23.599 19.099 -11.596 1.00 5.15 C ATOM 1544 OD1 ASP A 96 23.205 19.602 -12.669 1.00 62.35 O ATOM 1545 OD2 ASP A 96 24.803 19.044 -11.267 1.00 33.41 O ATOM 0 H ASP A 96 23.569 16.207 -12.174 1.00 4.43 H new ATOM 0 HA ASP A 96 21.368 16.772 -10.338 1.00 2.42 H new ATOM 0 HB2 ASP A 96 21.730 19.224 -10.561 1.00 41.31 H new ATOM 0 HB3 ASP A 96 23.004 18.437 -9.650 1.00 41.31 H new ATOM 1550 N THR A 97 20.227 18.121 -12.383 1.00 14.32 N ATOM 1551 CA THR A 97 19.406 18.344 -13.566 1.00 3.10 C ATOM 1552 C THR A 97 20.251 18.833 -14.738 1.00 14.25 C ATOM 1553 O THR A 97 20.230 18.246 -15.818 1.00 41.11 O ATOM 1554 CB THR A 97 18.288 19.366 -13.291 1.00 52.21 C ATOM 1555 OG1 THR A 97 17.497 18.939 -12.177 1.00 32.13 O ATOM 1556 CG2 THR A 97 17.400 19.540 -14.514 1.00 31.10 C ATOM 0 H THR A 97 19.925 18.638 -11.557 1.00 14.32 H new ATOM 0 HA THR A 97 18.955 17.385 -13.822 1.00 3.10 H new ATOM 0 HB THR A 97 18.752 20.325 -13.060 1.00 52.21 H new ATOM 0 HG1 THR A 97 17.619 19.562 -11.431 1.00 32.13 H new ATOM 0 HG21 THR A 97 16.618 20.267 -14.295 1.00 31.10 H new ATOM 0 HG22 THR A 97 18.000 19.894 -15.352 1.00 31.10 H new ATOM 0 HG23 THR A 97 16.945 18.584 -14.772 1.00 31.10 H new ATOM 1564 N GLU A 98 20.994 19.913 -14.514 1.00 35.11 N ATOM 1565 CA GLU A 98 21.846 20.481 -15.552 1.00 53.50 C ATOM 1566 C GLU A 98 22.741 19.411 -16.169 1.00 24.13 C ATOM 1567 O GLU A 98 22.884 19.331 -17.388 1.00 62.21 O ATOM 1568 CB GLU A 98 22.704 21.611 -14.978 1.00 60.43 C ATOM 1569 CG GLU A 98 21.901 22.676 -14.250 1.00 20.21 C ATOM 1570 CD GLU A 98 22.349 24.082 -14.595 1.00 53.40 C ATOM 1571 OE1 GLU A 98 22.492 24.379 -15.799 1.00 55.13 O ATOM 1572 OE2 GLU A 98 22.557 24.885 -13.662 1.00 1.12 O ATOM 0 H GLU A 98 21.023 20.411 -13.624 1.00 35.11 H new ATOM 0 HA GLU A 98 21.202 20.885 -16.333 1.00 53.50 H new ATOM 0 HB2 GLU A 98 23.436 21.187 -14.291 1.00 60.43 H new ATOM 0 HB3 GLU A 98 23.262 22.080 -15.789 1.00 60.43 H new ATOM 0 HG2 GLU A 98 20.846 22.564 -14.499 1.00 20.21 H new ATOM 0 HG3 GLU A 98 21.993 22.523 -13.175 1.00 20.21 H new ATOM 1579 N GLY A 99 23.343 18.587 -15.314 1.00 54.40 N ATOM 1580 CA GLY A 99 24.217 17.533 -15.792 1.00 10.31 C ATOM 1581 C GLY A 99 23.481 16.502 -16.626 1.00 1.32 C ATOM 1582 O GLY A 99 24.008 16.011 -17.623 1.00 63.33 O ATOM 0 H GLY A 99 23.240 18.632 -14.300 1.00 54.40 H new ATOM 0 HA2 GLY A 99 25.018 17.972 -16.387 1.00 10.31 H new ATOM 0 HA3 GLY A 99 24.685 17.040 -14.940 1.00 10.31 H new ATOM 1586 N ALA A 100 22.261 16.175 -16.215 1.00 64.21 N ATOM 1587 CA ALA A 100 21.451 15.196 -16.931 1.00 3.22 C ATOM 1588 C ALA A 100 21.198 15.638 -18.368 1.00 1.41 C ATOM 1589 O ALA A 100 21.451 14.891 -19.313 1.00 24.12 O ATOM 1590 CB ALA A 100 20.132 14.970 -16.206 1.00 41.41 C ATOM 0 H ALA A 100 21.811 16.573 -15.391 1.00 64.21 H new ATOM 0 HA ALA A 100 22.003 14.256 -16.960 1.00 3.22 H new ATOM 0 HB1 ALA A 100 19.538 14.237 -16.752 1.00 41.41 H new ATOM 0 HB2 ALA A 100 20.329 14.601 -15.199 1.00 41.41 H new ATOM 0 HB3 ALA A 100 19.584 15.910 -16.147 1.00 41.41 H new ATOM 1596 N LYS A 101 20.696 16.859 -18.526 1.00 45.50 N ATOM 1597 CA LYS A 101 20.410 17.402 -19.848 1.00 15.51 C ATOM 1598 C LYS A 101 21.635 17.310 -20.752 1.00 53.52 C ATOM 1599 O LYS A 101 21.548 16.832 -21.883 1.00 14.35 O ATOM 1600 CB LYS A 101 19.955 18.859 -19.735 1.00 14.02 C ATOM 1601 CG LYS A 101 18.454 19.042 -19.887 1.00 21.21 C ATOM 1602 CD LYS A 101 18.044 20.490 -19.677 1.00 62.31 C ATOM 1603 CE LYS A 101 18.356 21.339 -20.900 1.00 33.24 C ATOM 1604 NZ LYS A 101 19.555 22.196 -20.688 1.00 45.21 N ATOM 0 H LYS A 101 20.479 17.490 -17.755 1.00 45.50 H new ATOM 0 HA LYS A 101 19.609 16.810 -20.291 1.00 15.51 H new ATOM 0 HB2 LYS A 101 20.264 19.253 -18.767 1.00 14.02 H new ATOM 0 HB3 LYS A 101 20.463 19.450 -20.497 1.00 14.02 H new ATOM 0 HG2 LYS A 101 18.146 18.716 -20.880 1.00 21.21 H new ATOM 0 HG3 LYS A 101 17.935 18.408 -19.168 1.00 21.21 H new ATOM 0 HD2 LYS A 101 16.977 20.540 -19.461 1.00 62.31 H new ATOM 0 HD3 LYS A 101 18.564 20.895 -18.809 1.00 62.31 H new ATOM 0 HE2 LYS A 101 18.521 20.690 -21.760 1.00 33.24 H new ATOM 0 HE3 LYS A 101 17.497 21.968 -21.135 1.00 33.24 H new ATOM 0 HZ1 LYS A 101 19.637 22.878 -21.469 1.00 45.21 H new ATOM 0 HZ2 LYS A 101 19.460 22.710 -19.789 1.00 45.21 H new ATOM 0 HZ3 LYS A 101 20.407 21.600 -20.658 1.00 45.21 H new ATOM 1618 N GLN A 102 22.774 17.771 -20.246 1.00 10.12 N ATOM 1619 CA GLN A 102 24.017 17.740 -21.008 1.00 62.22 C ATOM 1620 C GLN A 102 24.223 16.374 -21.655 1.00 4.41 C ATOM 1621 O GLN A 102 24.565 16.280 -22.834 1.00 41.14 O ATOM 1622 CB GLN A 102 25.204 18.074 -20.104 1.00 50.30 C ATOM 1623 CG GLN A 102 26.225 18.994 -20.756 1.00 31.34 C ATOM 1624 CD GLN A 102 25.922 20.461 -20.520 1.00 25.41 C ATOM 1625 OE1 GLN A 102 24.954 21.000 -21.054 1.00 73.11 O ATOM 1626 NE2 GLN A 102 26.753 21.114 -19.716 1.00 21.03 N ATOM 0 H GLN A 102 22.862 18.170 -19.312 1.00 10.12 H new ATOM 0 HA GLN A 102 23.950 18.490 -21.796 1.00 62.22 H new ATOM 0 HB2 GLN A 102 24.835 18.543 -19.192 1.00 50.30 H new ATOM 0 HB3 GLN A 102 25.698 17.148 -19.809 1.00 50.30 H new ATOM 0 HG2 GLN A 102 27.217 18.764 -20.366 1.00 31.34 H new ATOM 0 HG3 GLN A 102 26.251 18.800 -21.828 1.00 31.34 H new ATOM 0 HE21 GLN A 102 27.544 20.626 -19.295 1.00 21.03 H new ATOM 0 HE22 GLN A 102 26.601 22.103 -19.520 1.00 21.03 H new ATOM 1635 N ILE A 103 24.015 15.318 -20.876 1.00 22.22 N ATOM 1636 CA ILE A 103 24.179 13.958 -21.373 1.00 64.34 C ATOM 1637 C ILE A 103 23.178 13.655 -22.483 1.00 64.22 C ATOM 1638 O ILE A 103 23.526 13.053 -23.500 1.00 22.02 O ATOM 1639 CB ILE A 103 24.007 12.922 -20.247 1.00 31.04 C ATOM 1640 CG1 ILE A 103 25.091 13.109 -19.182 1.00 45.50 C ATOM 1641 CG2 ILE A 103 24.052 11.510 -20.813 1.00 13.10 C ATOM 1642 CD1 ILE A 103 24.943 12.179 -17.999 1.00 2.31 C ATOM 0 H ILE A 103 23.732 15.378 -19.898 1.00 22.22 H new ATOM 0 HA ILE A 103 25.192 13.887 -21.769 1.00 64.34 H new ATOM 0 HB ILE A 103 23.034 13.074 -19.780 1.00 31.04 H new ATOM 0 HG12 ILE A 103 26.068 12.951 -19.638 1.00 45.50 H new ATOM 0 HG13 ILE A 103 25.068 14.140 -18.829 1.00 45.50 H new ATOM 0 HG21 ILE A 103 23.929 10.790 -20.004 1.00 13.10 H new ATOM 0 HG22 ILE A 103 23.248 11.383 -21.538 1.00 13.10 H new ATOM 0 HG23 ILE A 103 25.012 11.345 -21.303 1.00 13.10 H new ATOM 0 HD11 ILE A 103 25.745 12.368 -17.285 1.00 2.31 H new ATOM 0 HD12 ILE A 103 23.981 12.353 -17.518 1.00 2.31 H new ATOM 0 HD13 ILE A 103 24.997 11.145 -18.340 1.00 2.31 H new ATOM 1654 N VAL A 104 21.934 14.077 -22.283 1.00 54.52 N ATOM 1655 CA VAL A 104 20.883 13.854 -23.269 1.00 23.34 C ATOM 1656 C VAL A 104 21.188 14.584 -24.572 1.00 41.03 C ATOM 1657 O VAL A 104 21.377 13.958 -25.616 1.00 34.44 O ATOM 1658 CB VAL A 104 19.512 14.319 -22.742 1.00 62.52 C ATOM 1659 CG1 VAL A 104 18.436 14.114 -23.798 1.00 4.40 C ATOM 1660 CG2 VAL A 104 19.158 13.581 -21.459 1.00 33.33 C ATOM 0 H VAL A 104 21.629 14.575 -21.447 1.00 54.52 H new ATOM 0 HA VAL A 104 20.847 12.781 -23.457 1.00 23.34 H new ATOM 0 HB VAL A 104 19.570 15.384 -22.519 1.00 62.52 H new ATOM 0 HG11 VAL A 104 17.475 14.448 -23.408 1.00 4.40 H new ATOM 0 HG12 VAL A 104 18.686 14.690 -24.689 1.00 4.40 H new ATOM 0 HG13 VAL A 104 18.375 13.057 -24.055 1.00 4.40 H new ATOM 0 HG21 VAL A 104 18.187 13.921 -21.100 1.00 33.33 H new ATOM 0 HG22 VAL A 104 19.118 12.510 -21.655 1.00 33.33 H new ATOM 0 HG23 VAL A 104 19.916 13.783 -20.702 1.00 33.33 H new ATOM 1670 N ARG A 105 21.235 15.910 -24.504 1.00 63.41 N ATOM 1671 CA ARG A 105 21.517 16.725 -25.680 1.00 34.44 C ATOM 1672 C ARG A 105 22.772 16.233 -26.395 1.00 13.14 C ATOM 1673 O ARG A 105 22.832 16.219 -27.625 1.00 0.04 O ATOM 1674 CB ARG A 105 21.686 18.192 -25.281 1.00 4.55 C ATOM 1675 CG ARG A 105 20.540 19.083 -25.730 1.00 63.23 C ATOM 1676 CD ARG A 105 20.520 20.395 -24.963 1.00 53.44 C ATOM 1677 NE ARG A 105 21.336 21.420 -25.611 1.00 3.41 N ATOM 1678 CZ ARG A 105 21.674 22.565 -25.030 1.00 11.40 C ATOM 1679 NH1 ARG A 105 21.268 22.833 -23.796 1.00 62.13 N ATOM 1680 NH2 ARG A 105 22.419 23.447 -25.684 1.00 14.31 N ATOM 0 H ARG A 105 21.082 16.443 -23.648 1.00 63.41 H new ATOM 0 HA ARG A 105 20.673 16.636 -26.364 1.00 34.44 H new ATOM 0 HB2 ARG A 105 21.781 18.256 -24.197 1.00 4.55 H new ATOM 0 HB3 ARG A 105 22.616 18.570 -25.705 1.00 4.55 H new ATOM 0 HG2 ARG A 105 20.632 19.286 -26.797 1.00 63.23 H new ATOM 0 HG3 ARG A 105 19.594 18.561 -25.585 1.00 63.23 H new ATOM 0 HD2 ARG A 105 19.493 20.750 -24.878 1.00 53.44 H new ATOM 0 HD3 ARG A 105 20.885 20.228 -23.950 1.00 53.44 H new ATOM 0 HE ARG A 105 21.664 21.246 -26.561 1.00 3.41 H new ATOM 0 HH11 ARG A 105 20.694 22.158 -23.290 1.00 62.13 H new ATOM 0 HH12 ARG A 105 21.530 23.714 -23.353 1.00 62.13 H new ATOM 0 HH21 ARG A 105 22.732 23.246 -26.634 1.00 14.31 H new ATOM 0 HH22 ARG A 105 22.678 24.326 -25.237 1.00 14.31 H new ATOM 1694 N ARG A 106 23.771 15.832 -25.617 1.00 22.04 N ATOM 1695 CA ARG A 106 25.025 15.342 -26.175 1.00 44.50 C ATOM 1696 C ARG A 106 24.769 14.244 -27.204 1.00 2.15 C ATOM 1697 O ARG A 106 25.381 14.225 -28.273 1.00 31.24 O ATOM 1698 CB ARG A 106 25.932 14.812 -25.062 1.00 70.14 C ATOM 1699 CG ARG A 106 27.025 15.785 -24.653 1.00 22.05 C ATOM 1700 CD ARG A 106 28.277 15.603 -25.496 1.00 4.24 C ATOM 1701 NE ARG A 106 29.376 16.448 -25.035 1.00 13.24 N ATOM 1702 CZ ARG A 106 30.543 16.543 -25.661 1.00 24.32 C ATOM 1703 NH1 ARG A 106 30.763 15.847 -26.767 1.00 44.34 N ATOM 1704 NH2 ARG A 106 31.493 17.334 -25.179 1.00 64.20 N ATOM 0 H ARG A 106 23.736 15.837 -24.598 1.00 22.04 H new ATOM 0 HA ARG A 106 25.522 16.175 -26.673 1.00 44.50 H new ATOM 0 HB2 ARG A 106 25.323 14.576 -24.190 1.00 70.14 H new ATOM 0 HB3 ARG A 106 26.391 13.880 -25.392 1.00 70.14 H new ATOM 0 HG2 ARG A 106 26.661 16.807 -24.756 1.00 22.05 H new ATOM 0 HG3 ARG A 106 27.269 15.638 -23.601 1.00 22.05 H new ATOM 0 HD2 ARG A 106 28.586 14.558 -25.465 1.00 4.24 H new ATOM 0 HD3 ARG A 106 28.051 15.838 -26.536 1.00 4.24 H new ATOM 0 HE ARG A 106 29.239 16.995 -24.185 1.00 13.24 H new ATOM 0 HH11 ARG A 106 30.035 15.237 -27.139 1.00 44.34 H new ATOM 0 HH12 ARG A 106 31.660 15.921 -27.246 1.00 44.34 H new ATOM 0 HH21 ARG A 106 31.327 17.870 -24.327 1.00 64.20 H new ATOM 0 HH22 ARG A 106 32.389 17.406 -25.660 1.00 64.20 H new ATOM 1718 N HIS A 107 23.863 13.330 -26.873 1.00 33.41 N ATOM 1719 CA HIS A 107 23.526 12.228 -27.767 1.00 73.51 C ATOM 1720 C HIS A 107 22.678 12.719 -28.938 1.00 30.43 C ATOM 1721 O HIS A 107 22.607 11.993 -29.929 1.00 74.34 O ATOM 1722 CB HIS A 107 22.776 11.134 -27.005 1.00 14.13 C ATOM 1723 CG HIS A 107 23.672 10.246 -26.198 1.00 21.15 C ATOM 1724 ND1 HIS A 107 24.699 9.510 -26.751 1.00 21.23 N ATOM 1725 CD2 HIS A 107 23.692 9.978 -24.871 1.00 24.12 C ATOM 1726 CE1 HIS A 107 25.311 8.828 -25.799 1.00 62.24 C ATOM 1727 NE2 HIS A 107 24.719 9.095 -24.649 1.00 44.13 N ATOM 0 H HIS A 107 23.349 13.331 -25.992 1.00 33.41 H new ATOM 0 HA HIS A 107 24.455 11.815 -28.160 1.00 73.51 H new ATOM 0 HB2 HIS A 107 22.046 11.599 -26.342 1.00 14.13 H new ATOM 0 HB3 HIS A 107 22.218 10.524 -27.716 1.00 14.13 H new ATOM 0 HD2 HIS A 107 23.024 10.384 -24.126 1.00 24.12 H new ATOM 0 HE1 HIS A 107 26.152 8.165 -25.938 1.00 62.24 H new ATOM 0 HE2 HIS A 107 24.982 8.708 -23.743 1.00 44.13 H new ATOM 1735 N LEU A 108 22.056 13.890 -28.853 1.00 20.13 N ATOM 1736 CA LEU A 108 21.235 14.401 -29.945 1.00 63.44 C ATOM 1737 C LEU A 108 22.076 15.213 -30.924 1.00 41.13 C ATOM 1738 O LEU A 108 21.998 15.017 -32.138 1.00 21.53 O ATOM 1739 CB LEU A 108 20.098 15.264 -29.395 1.00 32.14 C ATOM 1740 CG LEU A 108 19.196 14.601 -28.354 1.00 22.30 C ATOM 1741 CD1 LEU A 108 18.279 15.629 -27.710 1.00 1.22 C ATOM 1742 CD2 LEU A 108 18.382 13.482 -28.988 1.00 65.41 C ATOM 0 H LEU A 108 22.105 14.503 -28.039 1.00 20.13 H new ATOM 0 HA LEU A 108 20.811 13.549 -30.477 1.00 63.44 H new ATOM 0 HB2 LEU A 108 20.531 16.161 -28.953 1.00 32.14 H new ATOM 0 HB3 LEU A 108 19.478 15.588 -30.231 1.00 32.14 H new ATOM 0 HG LEU A 108 19.827 14.169 -27.577 1.00 22.30 H new ATOM 0 HD11 LEU A 108 17.644 15.139 -26.972 1.00 1.22 H new ATOM 0 HD12 LEU A 108 18.879 16.396 -27.220 1.00 1.22 H new ATOM 0 HD13 LEU A 108 17.655 16.090 -28.476 1.00 1.22 H new ATOM 0 HD21 LEU A 108 17.746 13.022 -28.232 1.00 65.41 H new ATOM 0 HD22 LEU A 108 17.761 13.891 -29.785 1.00 65.41 H new ATOM 0 HD23 LEU A 108 19.056 12.731 -29.401 1.00 65.41 H new