USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 753 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 144 THR OG1 : rot -107:sc= 1.53 USER MOD Set 1.2: A 146 HIS : no HD1:sc= -3.31! C(o=-1.8!,f=-8.5!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.809 K(o=-0.81,f=-4.5) USER MOD Single : A 97 THR OG1 : rot -81:sc= 1.11 USER MOD Single : A 100 LYS NZ :NH3+ 158:sc= -0.0502 (180deg=-0.382) USER MOD Single : A 102 TYR OH : rot 180:sc= -2.53! USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 115 LYS NZ :NH3+ -151:sc= -0.0514 (180deg=-1.1) USER MOD Single : A 117 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00595) USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.357 USER MOD Single : A 125 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.33) USER MOD Single : A 134 SER OG : rot 150:sc= -0.0677 USER MOD Single : A 150 LYS NZ :NH3+ 172:sc= -1.85 (180deg=-2.16!) USER MOD Single : A 155 LYS NZ :NH3+ 178:sc= -0.0417 (180deg=-0.0462) USER MOD Single : A 158 LYS NZ :NH3+ -157:sc= -0.0939 (180deg=-0.421) USER MOD Single : A 161 GLN : amide:sc= -0.372 X(o=-0.37,f=0.096) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 ASN : amide:sc= -0.0501 X(o=-0.05,f=0) USER MOD Single : A 165 ASN : amide:sc= -0.555 X(o=-0.56,f=-0.54) USER MOD Single : A 169 SER OG : rot 170:sc= 0.782 USER MOD Single : A 176 SER OG : rot 172:sc= 0.273 USER MOD Single : A 178 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.059) USER MOD Single : A 179 SER OG : rot 180:sc=-0.00928 USER MOD ----------------------------------------------------------------- ATOM 16 N LYS A 88 -0.669 -6.600 -4.332 1.00 40.53 N ATOM 17 CA LYS A 88 -1.099 -5.440 -5.101 1.00 63.05 C ATOM 18 C LYS A 88 -0.960 -5.697 -6.598 1.00 52.21 C ATOM 19 O LYS A 88 0.012 -6.304 -7.046 1.00 53.22 O ATOM 20 CB LYS A 88 -0.280 -4.208 -4.707 1.00 43.40 C ATOM 21 CG LYS A 88 -0.789 -3.515 -3.455 1.00 73.43 C ATOM 22 CD LYS A 88 -0.308 -4.216 -2.195 1.00 72.30 C ATOM 23 CE LYS A 88 -0.978 -3.649 -0.952 1.00 5.41 C ATOM 24 NZ LYS A 88 -0.551 -4.365 0.282 1.00 62.21 N1+ ATOM 0 HA LYS A 88 -2.150 -5.257 -4.877 1.00 63.05 H new ATOM 0 HB2 LYS A 88 0.757 -4.506 -4.551 1.00 43.40 H new ATOM 0 HB3 LYS A 88 -0.287 -3.498 -5.534 1.00 43.40 H new ATOM 0 HG2 LYS A 88 -0.450 -2.479 -3.448 1.00 73.43 H new ATOM 0 HG3 LYS A 88 -1.879 -3.494 -3.467 1.00 73.43 H new ATOM 0 HD2 LYS A 88 -0.518 -5.283 -2.268 1.00 72.30 H new ATOM 0 HD3 LYS A 88 0.773 -4.109 -2.108 1.00 72.30 H new ATOM 0 HE2 LYS A 88 -0.736 -2.590 -0.860 1.00 5.41 H new ATOM 0 HE3 LYS A 88 -2.060 -3.721 -1.058 1.00 5.41 H new ATOM 0 HZ1 LYS A 88 -1.029 -3.950 1.107 1.00 62.21 H new ATOM 0 HZ2 LYS A 88 -0.804 -5.371 0.205 1.00 62.21 H new ATOM 0 HZ3 LYS A 88 0.479 -4.275 0.397 1.00 62.21 H new ATOM 38 N ALA A 89 -1.939 -5.229 -7.368 1.00 2.12 N ATOM 39 CA ALA A 89 -1.923 -5.406 -8.815 1.00 32.13 C ATOM 40 C ALA A 89 -1.013 -4.381 -9.483 1.00 63.45 C ATOM 41 O ALA A 89 -0.320 -4.689 -10.452 1.00 5.31 O ATOM 42 CB ALA A 89 -3.335 -5.307 -9.373 1.00 44.04 C ATOM 0 H ALA A 89 -2.752 -4.725 -7.013 1.00 2.12 H new ATOM 0 HA ALA A 89 -1.528 -6.398 -9.032 1.00 32.13 H new ATOM 0 HB1 ALA A 89 -3.309 -5.441 -10.454 1.00 44.04 H new ATOM 0 HB2 ALA A 89 -3.958 -6.082 -8.926 1.00 44.04 H new ATOM 0 HB3 ALA A 89 -3.751 -4.327 -9.139 1.00 44.04 H new ATOM 48 N LYS A 90 -1.022 -3.160 -8.960 1.00 51.00 N ATOM 49 CA LYS A 90 -0.198 -2.087 -9.506 1.00 61.25 C ATOM 50 C LYS A 90 1.282 -2.452 -9.441 1.00 14.35 C ATOM 51 O LYS A 90 2.103 -1.883 -10.160 1.00 71.13 O ATOM 52 CB LYS A 90 -0.447 -0.785 -8.741 1.00 41.44 C ATOM 53 CG LYS A 90 -0.209 0.464 -9.572 1.00 65.43 C ATOM 54 CD LYS A 90 -1.029 1.637 -9.063 1.00 32.40 C ATOM 55 CE LYS A 90 -2.484 1.526 -9.490 1.00 73.34 C ATOM 56 NZ LYS A 90 -2.704 2.075 -10.856 1.00 11.23 N1+ ATOM 0 H LYS A 90 -1.591 -2.888 -8.158 1.00 51.00 H new ATOM 0 HA LYS A 90 -0.474 -1.946 -10.551 1.00 61.25 H new ATOM 0 HB2 LYS A 90 -1.474 -0.778 -8.377 1.00 41.44 H new ATOM 0 HB3 LYS A 90 0.202 -0.758 -7.866 1.00 41.44 H new ATOM 0 HG2 LYS A 90 0.850 0.722 -9.548 1.00 65.43 H new ATOM 0 HG3 LYS A 90 -0.465 0.264 -10.612 1.00 65.43 H new ATOM 0 HD2 LYS A 90 -0.970 1.679 -7.975 1.00 32.40 H new ATOM 0 HD3 LYS A 90 -0.608 2.568 -9.441 1.00 32.40 H new ATOM 0 HE2 LYS A 90 -2.791 0.480 -9.465 1.00 73.34 H new ATOM 0 HE3 LYS A 90 -3.113 2.060 -8.778 1.00 73.34 H new ATOM 0 HZ1 LYS A 90 -3.708 1.981 -11.110 1.00 11.23 H new ATOM 0 HZ2 LYS A 90 -2.435 3.079 -10.874 1.00 11.23 H new ATOM 0 HZ3 LYS A 90 -2.123 1.549 -11.539 1.00 11.23 H new ATOM 70 N ARG A 91 1.614 -3.407 -8.578 1.00 52.32 N ATOM 71 CA ARG A 91 2.995 -3.847 -8.420 1.00 73.43 C ATOM 72 C ARG A 91 3.544 -4.395 -9.735 1.00 12.01 C ATOM 73 O ARG A 91 4.758 -4.475 -9.928 1.00 55.01 O ATOM 74 CB ARG A 91 3.091 -4.916 -7.331 1.00 55.15 C ATOM 75 CG ARG A 91 4.502 -5.129 -6.808 1.00 43.31 C ATOM 76 CD ARG A 91 4.866 -4.098 -5.750 1.00 24.02 C ATOM 77 NE ARG A 91 4.061 -4.247 -4.542 1.00 52.32 N ATOM 78 CZ ARG A 91 3.901 -3.282 -3.642 1.00 52.22 C ATOM 79 NH1 ARG A 91 4.488 -2.106 -3.815 1.00 64.04 N1+ ATOM 80 NH2 ARG A 91 3.153 -3.494 -2.566 1.00 70.21 N ATOM 0 H ARG A 91 0.946 -3.890 -7.978 1.00 52.32 H new ATOM 0 HA ARG A 91 3.593 -2.985 -8.126 1.00 73.43 H new ATOM 0 HB2 ARG A 91 2.443 -4.635 -6.500 1.00 55.15 H new ATOM 0 HB3 ARG A 91 2.713 -5.859 -7.725 1.00 55.15 H new ATOM 0 HG2 ARG A 91 4.588 -6.130 -6.386 1.00 43.31 H new ATOM 0 HG3 ARG A 91 5.210 -5.070 -7.634 1.00 43.31 H new ATOM 0 HD2 ARG A 91 5.922 -4.196 -5.497 1.00 24.02 H new ATOM 0 HD3 ARG A 91 4.727 -3.096 -6.157 1.00 24.02 H new ATOM 0 HE ARG A 91 3.596 -5.140 -4.379 1.00 52.32 H new ATOM 0 HH11 ARG A 91 5.064 -1.940 -4.640 1.00 64.04 H new ATOM 0 HH12 ARG A 91 4.364 -1.367 -3.123 1.00 64.04 H new ATOM 0 HH21 ARG A 91 2.701 -4.398 -2.429 1.00 70.21 H new ATOM 0 HH22 ARG A 91 3.031 -2.753 -1.876 1.00 70.21 H new ATOM 94 N HIS A 92 2.642 -4.772 -10.635 1.00 20.10 N ATOM 95 CA HIS A 92 3.036 -5.312 -11.931 1.00 61.12 C ATOM 96 C HIS A 92 4.036 -4.392 -12.623 1.00 44.23 C ATOM 97 O HIS A 92 4.902 -4.848 -13.368 1.00 34.04 O ATOM 98 CB HIS A 92 1.807 -5.509 -12.821 1.00 61.10 C ATOM 99 CG HIS A 92 1.269 -4.233 -13.391 1.00 44.40 C ATOM 100 ND1 HIS A 92 0.702 -3.243 -12.616 1.00 73.45 N ATOM 101 CD2 HIS A 92 1.216 -3.787 -14.667 1.00 35.45 C ATOM 102 CE1 HIS A 92 0.321 -2.244 -13.392 1.00 42.11 C ATOM 103 NE2 HIS A 92 0.623 -2.549 -14.642 1.00 11.35 N ATOM 0 H HIS A 92 1.634 -4.714 -10.491 1.00 20.10 H new ATOM 0 HA HIS A 92 3.513 -6.278 -11.763 1.00 61.12 H new ATOM 0 HB2 HIS A 92 2.065 -6.182 -13.639 1.00 61.10 H new ATOM 0 HB3 HIS A 92 1.023 -5.997 -12.241 1.00 61.10 H new ATOM 0 HD2 HIS A 92 1.574 -4.308 -15.543 1.00 35.45 H new ATOM 0 HE1 HIS A 92 -0.156 -1.333 -13.061 1.00 42.11 H new ATOM 0 HE2 HIS A 92 0.445 -1.960 -15.456 1.00 11.35 H new ATOM 111 N GLU A 93 3.908 -3.092 -12.373 1.00 62.03 N ATOM 112 CA GLU A 93 4.800 -2.107 -12.974 1.00 22.40 C ATOM 113 C GLU A 93 6.124 -2.041 -12.217 1.00 33.12 C ATOM 114 O GLU A 93 7.193 -1.965 -12.823 1.00 63.31 O ATOM 115 CB GLU A 93 4.138 -0.728 -12.988 1.00 71.43 C ATOM 116 CG GLU A 93 3.287 -0.474 -14.221 1.00 15.43 C ATOM 117 CD GLU A 93 2.127 0.464 -13.946 1.00 43.51 C ATOM 118 OE1 GLU A 93 2.220 1.259 -12.988 1.00 60.32 O1- ATOM 119 OE2 GLU A 93 1.126 0.401 -14.690 1.00 11.33 O ATOM 0 H GLU A 93 3.196 -2.697 -11.759 1.00 62.03 H new ATOM 0 HA GLU A 93 5.002 -2.414 -14.000 1.00 22.40 H new ATOM 0 HB2 GLU A 93 3.515 -0.624 -12.099 1.00 71.43 H new ATOM 0 HB3 GLU A 93 4.911 0.038 -12.927 1.00 71.43 H new ATOM 0 HG2 GLU A 93 3.912 -0.052 -15.008 1.00 15.43 H new ATOM 0 HG3 GLU A 93 2.902 -1.423 -14.594 1.00 15.43 H new ATOM 126 N ALA A 94 6.043 -2.068 -10.891 1.00 71.42 N ATOM 127 CA ALA A 94 7.234 -2.012 -10.052 1.00 50.12 C ATOM 128 C ALA A 94 8.096 -3.256 -10.239 1.00 2.41 C ATOM 129 O ALA A 94 9.286 -3.252 -9.921 1.00 44.00 O ATOM 130 CB ALA A 94 6.843 -1.853 -8.591 1.00 70.33 C ATOM 0 H ALA A 94 5.165 -2.128 -10.375 1.00 71.42 H new ATOM 0 HA ALA A 94 7.822 -1.146 -10.355 1.00 50.12 H new ATOM 0 HB1 ALA A 94 7.742 -1.813 -7.976 1.00 70.33 H new ATOM 0 HB2 ALA A 94 6.275 -0.931 -8.465 1.00 70.33 H new ATOM 0 HB3 ALA A 94 6.231 -2.701 -8.284 1.00 70.33 H new ATOM 136 N TRP A 95 7.489 -4.319 -10.755 1.00 33.54 N ATOM 137 CA TRP A 95 8.202 -5.571 -10.982 1.00 2.43 C ATOM 138 C TRP A 95 9.406 -5.353 -11.892 1.00 64.44 C ATOM 139 O TRP A 95 10.362 -6.129 -11.869 1.00 61.23 O ATOM 140 CB TRP A 95 7.264 -6.611 -11.596 1.00 2.15 C ATOM 141 CG TRP A 95 6.273 -7.166 -10.618 1.00 41.24 C ATOM 142 CD1 TRP A 95 6.205 -6.903 -9.280 1.00 14.00 C ATOM 143 CD2 TRP A 95 5.211 -8.083 -10.904 1.00 42.31 C ATOM 144 NE1 TRP A 95 5.164 -7.599 -8.716 1.00 71.33 N ATOM 145 CE2 TRP A 95 4.537 -8.330 -9.691 1.00 74.32 C ATOM 146 CE3 TRP A 95 4.760 -8.716 -12.064 1.00 42.51 C ATOM 147 CZ2 TRP A 95 3.441 -9.184 -9.609 1.00 53.54 C ATOM 148 CZ3 TRP A 95 3.672 -9.565 -11.982 1.00 13.11 C ATOM 149 CH2 TRP A 95 3.022 -9.792 -10.762 1.00 33.31 C ATOM 0 H TRP A 95 6.505 -4.339 -11.024 1.00 33.54 H new ATOM 0 HA TRP A 95 8.559 -5.938 -10.020 1.00 2.43 H new ATOM 0 HB2 TRP A 95 6.727 -6.159 -12.430 1.00 2.15 H new ATOM 0 HB3 TRP A 95 7.857 -7.429 -12.005 1.00 2.15 H new ATOM 0 HD1 TRP A 95 6.872 -6.244 -8.744 1.00 14.00 H new ATOM 0 HE1 TRP A 95 4.900 -7.576 -7.731 1.00 71.33 H new ATOM 0 HE3 TRP A 95 5.253 -8.545 -13.010 1.00 42.51 H new ATOM 0 HZ2 TRP A 95 2.939 -9.361 -8.669 1.00 53.54 H new ATOM 0 HZ3 TRP A 95 3.317 -10.061 -12.873 1.00 13.11 H new ATOM 0 HH2 TRP A 95 2.174 -10.460 -10.730 1.00 33.31 H new ATOM 160 N ILE A 96 9.353 -4.295 -12.694 1.00 55.12 N ATOM 161 CA ILE A 96 10.441 -3.976 -13.610 1.00 34.21 C ATOM 162 C ILE A 96 11.778 -3.920 -12.879 1.00 70.15 C ATOM 163 O ILE A 96 12.830 -4.187 -13.462 1.00 2.25 O ATOM 164 CB ILE A 96 10.201 -2.632 -14.323 1.00 32.45 C ATOM 165 CG1 ILE A 96 8.885 -2.671 -15.103 1.00 12.32 C ATOM 166 CG2 ILE A 96 11.363 -2.309 -15.251 1.00 51.44 C ATOM 167 CD1 ILE A 96 8.336 -1.299 -15.430 1.00 41.21 C ATOM 0 H ILE A 96 8.568 -3.644 -12.728 1.00 55.12 H new ATOM 0 HA ILE A 96 10.470 -4.772 -14.354 1.00 34.21 H new ATOM 0 HB ILE A 96 10.133 -1.846 -13.571 1.00 32.45 H new ATOM 0 HG12 ILE A 96 9.038 -3.223 -16.030 1.00 12.32 H new ATOM 0 HG13 ILE A 96 8.144 -3.221 -14.523 1.00 12.32 H new ATOM 0 HG21 ILE A 96 11.178 -1.356 -15.747 1.00 51.44 H new ATOM 0 HG22 ILE A 96 12.284 -2.244 -14.672 1.00 51.44 H new ATOM 0 HG23 ILE A 96 11.460 -3.095 -16.000 1.00 51.44 H new ATOM 0 HD11 ILE A 96 7.403 -1.403 -15.983 1.00 41.21 H new ATOM 0 HD12 ILE A 96 8.151 -0.751 -14.506 1.00 41.21 H new ATOM 0 HD13 ILE A 96 9.058 -0.753 -16.037 1.00 41.21 H new ATOM 179 N THR A 97 11.731 -3.570 -11.597 1.00 51.42 N ATOM 180 CA THR A 97 12.937 -3.479 -10.785 1.00 31.44 C ATOM 181 C THR A 97 13.442 -4.863 -10.393 1.00 41.10 C ATOM 182 O THR A 97 14.560 -5.248 -10.739 1.00 50.20 O ATOM 183 CB THR A 97 12.693 -2.654 -9.508 1.00 14.40 C ATOM 184 OG1 THR A 97 11.611 -3.216 -8.760 1.00 50.05 O ATOM 185 CG2 THR A 97 12.381 -1.205 -9.852 1.00 60.33 C ATOM 0 H THR A 97 10.870 -3.345 -11.099 1.00 51.42 H new ATOM 0 HA THR A 97 13.691 -2.979 -11.394 1.00 31.44 H new ATOM 0 HB THR A 97 13.601 -2.681 -8.906 1.00 14.40 H new ATOM 0 HG1 THR A 97 10.759 -2.914 -9.139 1.00 50.05 H new ATOM 0 HG21 THR A 97 12.212 -0.641 -8.934 1.00 60.33 H new ATOM 0 HG22 THR A 97 13.221 -0.771 -10.395 1.00 60.33 H new ATOM 0 HG23 THR A 97 11.486 -1.163 -10.473 1.00 60.33 H new ATOM 193 N LEU A 98 12.612 -5.608 -9.671 1.00 70.21 N ATOM 194 CA LEU A 98 12.974 -6.951 -9.233 1.00 75.55 C ATOM 195 C LEU A 98 13.256 -7.857 -10.426 1.00 22.22 C ATOM 196 O LEU A 98 13.922 -8.883 -10.296 1.00 13.11 O ATOM 197 CB LEU A 98 11.855 -7.548 -8.377 1.00 74.34 C ATOM 198 CG LEU A 98 10.475 -7.618 -9.031 1.00 35.43 C ATOM 199 CD1 LEU A 98 10.364 -8.851 -9.915 1.00 20.42 C ATOM 200 CD2 LEU A 98 9.383 -7.619 -7.971 1.00 61.11 C ATOM 0 H LEU A 98 11.684 -5.304 -9.377 1.00 70.21 H new ATOM 0 HA LEU A 98 13.882 -6.878 -8.635 1.00 75.55 H new ATOM 0 HB2 LEU A 98 12.148 -8.556 -8.084 1.00 74.34 H new ATOM 0 HB3 LEU A 98 11.772 -6.961 -7.462 1.00 74.34 H new ATOM 0 HG LEU A 98 10.346 -6.735 -9.657 1.00 35.43 H new ATOM 0 HD11 LEU A 98 9.375 -8.883 -10.372 1.00 20.42 H new ATOM 0 HD12 LEU A 98 11.123 -8.808 -10.696 1.00 20.42 H new ATOM 0 HD13 LEU A 98 10.514 -9.746 -9.311 1.00 20.42 H new ATOM 0 HD21 LEU A 98 8.407 -7.669 -8.454 1.00 61.11 H new ATOM 0 HD22 LEU A 98 9.510 -8.483 -7.319 1.00 61.11 H new ATOM 0 HD23 LEU A 98 9.449 -6.705 -7.380 1.00 61.11 H new ATOM 212 N GLU A 99 12.745 -7.467 -11.591 1.00 4.44 N ATOM 213 CA GLU A 99 12.943 -8.245 -12.809 1.00 1.33 C ATOM 214 C GLU A 99 14.422 -8.552 -13.024 1.00 35.40 C ATOM 215 O GLU A 99 14.798 -9.692 -13.299 1.00 24.30 O ATOM 216 CB GLU A 99 12.388 -7.489 -14.018 1.00 15.35 C ATOM 217 CG GLU A 99 10.901 -7.705 -14.241 1.00 32.50 C ATOM 218 CD GLU A 99 10.615 -8.775 -15.277 1.00 23.42 C ATOM 219 OE1 GLU A 99 11.549 -9.530 -15.622 1.00 23.50 O1- ATOM 220 OE2 GLU A 99 9.459 -8.857 -15.742 1.00 0.21 O ATOM 0 H GLU A 99 12.192 -6.619 -11.716 1.00 4.44 H new ATOM 0 HA GLU A 99 12.406 -9.187 -12.699 1.00 1.33 H new ATOM 0 HB2 GLU A 99 12.576 -6.423 -13.887 1.00 15.35 H new ATOM 0 HB3 GLU A 99 12.930 -7.801 -14.911 1.00 15.35 H new ATOM 0 HG2 GLU A 99 10.433 -7.984 -13.297 1.00 32.50 H new ATOM 0 HG3 GLU A 99 10.445 -6.767 -14.558 1.00 32.50 H new ATOM 227 N LYS A 100 15.258 -7.527 -12.897 1.00 11.05 N ATOM 228 CA LYS A 100 16.697 -7.687 -13.075 1.00 40.42 C ATOM 229 C LYS A 100 17.238 -8.792 -12.175 1.00 54.22 C ATOM 230 O LYS A 100 18.244 -9.426 -12.492 1.00 73.30 O ATOM 231 CB LYS A 100 17.417 -6.370 -12.773 1.00 73.52 C ATOM 232 CG LYS A 100 17.351 -5.366 -13.911 1.00 14.42 C ATOM 233 CD LYS A 100 17.579 -3.947 -13.417 1.00 74.54 C ATOM 234 CE LYS A 100 19.060 -3.621 -13.325 1.00 0.53 C ATOM 235 NZ LYS A 100 19.697 -3.544 -14.669 1.00 11.21 N1+ ATOM 0 H LYS A 100 14.964 -6.577 -12.672 1.00 11.05 H new ATOM 0 HA LYS A 100 16.881 -7.966 -14.112 1.00 40.42 H new ATOM 0 HB2 LYS A 100 16.980 -5.923 -11.880 1.00 73.52 H new ATOM 0 HB3 LYS A 100 18.462 -6.581 -12.546 1.00 73.52 H new ATOM 0 HG2 LYS A 100 18.101 -5.616 -14.662 1.00 14.42 H new ATOM 0 HG3 LYS A 100 16.378 -5.431 -14.398 1.00 14.42 H new ATOM 0 HD2 LYS A 100 17.092 -3.243 -14.092 1.00 74.54 H new ATOM 0 HD3 LYS A 100 17.116 -3.823 -12.438 1.00 74.54 H new ATOM 0 HE2 LYS A 100 19.191 -2.671 -12.806 1.00 0.53 H new ATOM 0 HE3 LYS A 100 19.563 -4.382 -12.728 1.00 0.53 H new ATOM 0 HZ1 LYS A 100 20.566 -2.976 -14.609 1.00 11.21 H new ATOM 0 HZ2 LYS A 100 19.931 -4.503 -14.997 1.00 11.21 H new ATOM 0 HZ3 LYS A 100 19.039 -3.099 -15.340 1.00 11.21 H new ATOM 249 N ALA A 101 16.564 -9.019 -11.052 1.00 55.34 N ATOM 250 CA ALA A 101 16.975 -10.050 -10.108 1.00 52.53 C ATOM 251 C ALA A 101 16.678 -11.443 -10.653 1.00 52.15 C ATOM 252 O ALA A 101 17.505 -12.349 -10.554 1.00 73.43 O ATOM 253 CB ALA A 101 16.283 -9.846 -8.769 1.00 21.20 C ATOM 0 H ALA A 101 15.730 -8.502 -10.774 1.00 55.34 H new ATOM 0 HA ALA A 101 18.052 -9.967 -9.964 1.00 52.53 H new ATOM 0 HB1 ALA A 101 16.600 -10.623 -8.074 1.00 21.20 H new ATOM 0 HB2 ALA A 101 16.550 -8.869 -8.367 1.00 21.20 H new ATOM 0 HB3 ALA A 101 15.203 -9.899 -8.906 1.00 21.20 H new ATOM 259 N TYR A 102 15.491 -11.607 -11.228 1.00 21.11 N ATOM 260 CA TYR A 102 15.084 -12.891 -11.785 1.00 31.20 C ATOM 261 C TYR A 102 15.960 -13.271 -12.975 1.00 54.12 C ATOM 262 O TYR A 102 16.210 -14.450 -13.223 1.00 14.45 O ATOM 263 CB TYR A 102 13.616 -12.842 -12.214 1.00 13.11 C ATOM 264 CG TYR A 102 12.644 -12.918 -11.058 1.00 64.12 C ATOM 265 CD1 TYR A 102 12.610 -11.925 -10.087 1.00 0.35 C ATOM 266 CD2 TYR A 102 11.760 -13.983 -10.938 1.00 62.33 C ATOM 267 CE1 TYR A 102 11.725 -11.991 -9.028 1.00 40.03 C ATOM 268 CE2 TYR A 102 10.871 -14.057 -9.884 1.00 42.33 C ATOM 269 CZ TYR A 102 10.857 -13.059 -8.932 1.00 31.20 C ATOM 270 OH TYR A 102 9.972 -13.128 -7.880 1.00 20.33 O ATOM 0 H TYR A 102 14.795 -10.867 -11.320 1.00 21.11 H new ATOM 0 HA TYR A 102 15.205 -13.649 -11.011 1.00 31.20 H new ATOM 0 HB2 TYR A 102 13.438 -11.920 -12.767 1.00 13.11 H new ATOM 0 HB3 TYR A 102 13.419 -13.667 -12.899 1.00 13.11 H new ATOM 0 HD1 TYR A 102 13.287 -11.087 -10.161 1.00 0.35 H new ATOM 0 HD2 TYR A 102 11.768 -14.766 -11.682 1.00 62.33 H new ATOM 0 HE1 TYR A 102 11.713 -11.212 -8.280 1.00 40.03 H new ATOM 0 HE2 TYR A 102 10.190 -14.892 -9.805 1.00 42.33 H new ATOM 0 HH TYR A 102 9.431 -13.941 -7.960 1.00 20.33 H new ATOM 280 N GLU A 103 16.423 -12.264 -13.707 1.00 1.02 N ATOM 281 CA GLU A 103 17.272 -12.491 -14.870 1.00 60.41 C ATOM 282 C GLU A 103 18.558 -13.210 -14.473 1.00 12.44 C ATOM 283 O GLU A 103 19.170 -13.905 -15.286 1.00 10.12 O ATOM 284 CB GLU A 103 17.608 -11.164 -15.553 1.00 65.01 C ATOM 285 CG GLU A 103 16.405 -10.484 -16.186 1.00 0.13 C ATOM 286 CD GLU A 103 16.688 -9.048 -16.582 1.00 52.23 C ATOM 287 OE1 GLU A 103 17.848 -8.745 -16.930 1.00 20.11 O1- ATOM 288 OE2 GLU A 103 15.748 -8.227 -16.545 1.00 62.03 O ATOM 0 H GLU A 103 16.224 -11.282 -13.515 1.00 1.02 H new ATOM 0 HA GLU A 103 16.723 -13.122 -15.569 1.00 60.41 H new ATOM 0 HB2 GLU A 103 18.052 -10.490 -14.820 1.00 65.01 H new ATOM 0 HB3 GLU A 103 18.361 -11.341 -16.321 1.00 65.01 H new ATOM 0 HG2 GLU A 103 16.097 -11.046 -17.068 1.00 0.13 H new ATOM 0 HG3 GLU A 103 15.570 -10.506 -15.486 1.00 0.13 H new ATOM 295 N ASP A 104 18.962 -13.039 -13.220 1.00 24.32 N ATOM 296 CA ASP A 104 20.175 -13.672 -12.713 1.00 22.21 C ATOM 297 C ASP A 104 19.847 -14.978 -11.996 1.00 53.01 C ATOM 298 O ASP A 104 20.633 -15.466 -11.186 1.00 74.24 O ATOM 299 CB ASP A 104 20.910 -12.725 -11.764 1.00 44.00 C ATOM 300 CG ASP A 104 21.594 -11.588 -12.496 1.00 42.43 C ATOM 301 OD1 ASP A 104 21.108 -11.201 -13.579 1.00 63.21 O1- ATOM 302 OD2 ASP A 104 22.616 -11.083 -11.985 1.00 73.33 O ATOM 0 H ASP A 104 18.468 -12.467 -12.535 1.00 24.32 H new ATOM 0 HA ASP A 104 20.821 -13.897 -13.562 1.00 22.21 H new ATOM 0 HB2 ASP A 104 20.202 -12.316 -11.044 1.00 44.00 H new ATOM 0 HB3 ASP A 104 21.652 -13.287 -11.197 1.00 44.00 H new ATOM 307 N ALA A 105 18.680 -15.538 -12.300 1.00 63.33 N ATOM 308 CA ALA A 105 18.250 -16.788 -11.685 1.00 75.23 C ATOM 309 C ALA A 105 18.343 -16.713 -10.166 1.00 40.43 C ATOM 310 O ALA A 105 18.995 -17.542 -9.533 1.00 42.15 O ATOM 311 CB ALA A 105 19.082 -17.949 -12.211 1.00 34.51 C ATOM 0 H ALA A 105 18.016 -15.146 -12.968 1.00 63.33 H new ATOM 0 HA ALA A 105 17.206 -16.954 -11.950 1.00 75.23 H new ATOM 0 HB1 ALA A 105 18.750 -18.876 -11.743 1.00 34.51 H new ATOM 0 HB2 ALA A 105 18.960 -18.024 -13.292 1.00 34.51 H new ATOM 0 HB3 ALA A 105 20.133 -17.780 -11.975 1.00 34.51 H new ATOM 317 N GLU A 106 17.686 -15.712 -9.585 1.00 74.03 N ATOM 318 CA GLU A 106 17.697 -15.529 -8.139 1.00 75.25 C ATOM 319 C GLU A 106 16.777 -16.537 -7.456 1.00 23.20 C ATOM 320 O GLU A 106 15.925 -17.152 -8.098 1.00 54.54 O ATOM 321 CB GLU A 106 17.269 -14.105 -7.779 1.00 21.20 C ATOM 322 CG GLU A 106 17.579 -13.720 -6.343 1.00 43.42 C ATOM 323 CD GLU A 106 17.632 -12.219 -6.139 1.00 0.21 C ATOM 324 OE1 GLU A 106 18.616 -11.594 -6.589 1.00 14.12 O1- ATOM 325 OE2 GLU A 106 16.691 -11.668 -5.532 1.00 44.33 O ATOM 0 H GLU A 106 17.140 -15.017 -10.094 1.00 74.03 H new ATOM 0 HA GLU A 106 18.715 -15.694 -7.785 1.00 75.25 H new ATOM 0 HB2 GLU A 106 17.767 -13.405 -8.449 1.00 21.20 H new ATOM 0 HB3 GLU A 106 16.197 -14.003 -7.950 1.00 21.20 H new ATOM 0 HG2 GLU A 106 16.821 -14.146 -5.685 1.00 43.42 H new ATOM 0 HG3 GLU A 106 18.535 -14.156 -6.052 1.00 43.42 H new ATOM 332 N THR A 107 16.956 -16.702 -6.150 1.00 4.24 N ATOM 333 CA THR A 107 16.145 -17.636 -5.379 1.00 44.41 C ATOM 334 C THR A 107 14.921 -16.944 -4.789 1.00 60.01 C ATOM 335 O THR A 107 14.930 -15.736 -4.558 1.00 43.33 O ATOM 336 CB THR A 107 16.957 -18.277 -4.237 1.00 43.42 C ATOM 337 OG1 THR A 107 16.203 -19.333 -3.632 1.00 2.32 O ATOM 338 CG2 THR A 107 17.323 -17.240 -3.185 1.00 72.55 C ATOM 0 H THR A 107 17.656 -16.201 -5.603 1.00 4.24 H new ATOM 0 HA THR A 107 15.822 -18.416 -6.068 1.00 44.41 H new ATOM 0 HB THR A 107 17.876 -18.684 -4.658 1.00 43.42 H new ATOM 0 HG1 THR A 107 16.727 -19.736 -2.908 1.00 2.32 H new ATOM 0 HG21 THR A 107 17.896 -17.716 -2.389 1.00 72.55 H new ATOM 0 HG22 THR A 107 17.922 -16.453 -3.643 1.00 72.55 H new ATOM 0 HG23 THR A 107 16.413 -16.807 -2.769 1.00 72.55 H new ATOM 346 N VAL A 108 13.868 -17.719 -4.549 1.00 20.54 N ATOM 347 CA VAL A 108 12.636 -17.181 -3.985 1.00 41.44 C ATOM 348 C VAL A 108 11.979 -18.182 -3.042 1.00 71.21 C ATOM 349 O VAL A 108 12.474 -19.295 -2.857 1.00 42.35 O ATOM 350 CB VAL A 108 11.634 -16.797 -5.090 1.00 65.54 C ATOM 351 CG1 VAL A 108 12.144 -15.605 -5.883 1.00 22.45 C ATOM 352 CG2 VAL A 108 11.370 -17.984 -6.004 1.00 1.14 C ATOM 0 H VAL A 108 13.844 -18.721 -4.736 1.00 20.54 H new ATOM 0 HA VAL A 108 12.909 -16.286 -3.425 1.00 41.44 H new ATOM 0 HB VAL A 108 10.692 -16.513 -4.620 1.00 65.54 H new ATOM 0 HG11 VAL A 108 11.423 -15.349 -6.659 1.00 22.45 H new ATOM 0 HG12 VAL A 108 12.277 -14.754 -5.215 1.00 22.45 H new ATOM 0 HG13 VAL A 108 13.099 -15.857 -6.344 1.00 22.45 H new ATOM 0 HG21 VAL A 108 10.660 -17.696 -6.779 1.00 1.14 H new ATOM 0 HG22 VAL A 108 12.304 -18.301 -6.467 1.00 1.14 H new ATOM 0 HG23 VAL A 108 10.956 -18.807 -5.421 1.00 1.14 H new ATOM 362 N THR A 109 10.860 -17.782 -2.448 1.00 0.35 N ATOM 363 CA THR A 109 10.134 -18.644 -1.524 1.00 72.43 C ATOM 364 C THR A 109 8.671 -18.229 -1.418 1.00 62.13 C ATOM 365 O THR A 109 8.363 -17.084 -1.089 1.00 25.51 O ATOM 366 CB THR A 109 10.765 -18.620 -0.119 1.00 21.55 C ATOM 367 OG1 THR A 109 9.976 -19.400 0.786 1.00 40.31 O ATOM 368 CG2 THR A 109 10.881 -17.194 0.399 1.00 24.53 C ATOM 0 H THR A 109 10.436 -16.865 -2.590 1.00 0.35 H new ATOM 0 HA THR A 109 10.194 -19.656 -1.924 1.00 72.43 H new ATOM 0 HB THR A 109 11.766 -19.046 -0.187 1.00 21.55 H new ATOM 0 HG1 THR A 109 10.385 -19.381 1.676 1.00 40.31 H new ATOM 0 HG21 THR A 109 11.329 -17.203 1.392 1.00 24.53 H new ATOM 0 HG22 THR A 109 11.507 -16.611 -0.276 1.00 24.53 H new ATOM 0 HG23 THR A 109 9.889 -16.745 0.453 1.00 24.53 H new ATOM 376 N GLY A 110 7.772 -19.168 -1.698 1.00 43.33 N ATOM 377 CA GLY A 110 6.351 -18.879 -1.628 1.00 13.05 C ATOM 378 C GLY A 110 5.517 -20.123 -1.400 1.00 3.55 C ATOM 379 O GLY A 110 5.922 -21.227 -1.765 1.00 41.25 O ATOM 0 H GLY A 110 8.002 -20.123 -1.972 1.00 43.33 H new ATOM 0 HA2 GLY A 110 6.167 -18.169 -0.821 1.00 13.05 H new ATOM 0 HA3 GLY A 110 6.035 -18.398 -2.554 1.00 13.05 H new ATOM 383 N VAL A 111 4.348 -19.948 -0.791 1.00 54.30 N ATOM 384 CA VAL A 111 3.455 -21.066 -0.514 1.00 20.01 C ATOM 385 C VAL A 111 2.323 -21.131 -1.533 1.00 45.43 C ATOM 386 O VAL A 111 1.777 -20.104 -1.936 1.00 13.55 O ATOM 387 CB VAL A 111 2.852 -20.966 0.900 1.00 12.42 C ATOM 388 CG1 VAL A 111 1.903 -19.781 0.993 1.00 14.12 C ATOM 389 CG2 VAL A 111 2.141 -22.259 1.269 1.00 40.44 C ATOM 0 H VAL A 111 3.998 -19.042 -0.480 1.00 54.30 H new ATOM 0 HA VAL A 111 4.054 -21.974 -0.582 1.00 20.01 H new ATOM 0 HB VAL A 111 3.663 -20.809 1.611 1.00 12.42 H new ATOM 0 HG11 VAL A 111 1.487 -19.726 1.999 1.00 14.12 H new ATOM 0 HG12 VAL A 111 2.446 -18.862 0.775 1.00 14.12 H new ATOM 0 HG13 VAL A 111 1.095 -19.905 0.272 1.00 14.12 H new ATOM 0 HG21 VAL A 111 1.721 -22.170 2.271 1.00 40.44 H new ATOM 0 HG22 VAL A 111 1.339 -22.450 0.555 1.00 40.44 H new ATOM 0 HG23 VAL A 111 2.852 -23.085 1.245 1.00 40.44 H new ATOM 399 N ILE A 112 1.975 -22.345 -1.946 1.00 15.31 N ATOM 400 CA ILE A 112 0.907 -22.544 -2.917 1.00 63.34 C ATOM 401 C ILE A 112 -0.417 -21.996 -2.398 1.00 32.02 C ATOM 402 O ILE A 112 -0.909 -22.419 -1.354 1.00 22.02 O ATOM 403 CB ILE A 112 0.733 -24.035 -3.263 1.00 73.40 C ATOM 404 CG1 ILE A 112 2.037 -24.609 -3.822 1.00 51.40 C ATOM 405 CG2 ILE A 112 -0.403 -24.218 -4.261 1.00 51.04 C ATOM 406 CD1 ILE A 112 2.866 -25.339 -2.789 1.00 44.52 C ATOM 0 H ILE A 112 2.417 -23.205 -1.623 1.00 15.31 H new ATOM 0 HA ILE A 112 1.193 -22.001 -3.818 1.00 63.34 H new ATOM 0 HB ILE A 112 0.482 -24.577 -2.351 1.00 73.40 H new ATOM 0 HG12 ILE A 112 1.803 -25.293 -4.638 1.00 51.40 H new ATOM 0 HG13 ILE A 112 2.630 -23.798 -4.245 1.00 51.40 H new ATOM 0 HG21 ILE A 112 -0.514 -25.277 -4.496 1.00 51.04 H new ATOM 0 HG22 ILE A 112 -1.331 -23.843 -3.829 1.00 51.04 H new ATOM 0 HG23 ILE A 112 -0.178 -23.666 -5.173 1.00 51.04 H new ATOM 0 HD11 ILE A 112 3.775 -25.719 -3.255 1.00 44.52 H new ATOM 0 HD12 ILE A 112 3.130 -24.653 -1.984 1.00 44.52 H new ATOM 0 HD13 ILE A 112 2.291 -26.171 -2.383 1.00 44.52 H new ATOM 418 N ASN A 113 -0.990 -21.051 -3.137 1.00 70.02 N ATOM 419 CA ASN A 113 -2.259 -20.444 -2.752 1.00 33.21 C ATOM 420 C ASN A 113 -3.409 -21.020 -3.574 1.00 62.31 C ATOM 421 O ASN A 113 -4.478 -21.318 -3.043 1.00 53.33 O ATOM 422 CB ASN A 113 -2.198 -18.927 -2.933 1.00 33.10 C ATOM 423 CG ASN A 113 -3.107 -18.193 -1.966 1.00 43.33 C ATOM 424 OD1 ASN A 113 -4.330 -18.310 -2.034 1.00 34.24 O ATOM 425 ND2 ASN A 113 -2.509 -17.429 -1.058 1.00 44.13 N ATOM 0 H ASN A 113 -0.596 -20.689 -4.005 1.00 70.02 H new ATOM 0 HA ASN A 113 -2.438 -20.671 -1.701 1.00 33.21 H new ATOM 0 HB2 ASN A 113 -1.172 -18.588 -2.792 1.00 33.10 H new ATOM 0 HB3 ASN A 113 -2.479 -18.674 -3.955 1.00 33.10 H new ATOM 0 HD21 ASN A 113 -3.068 -16.910 -0.381 1.00 44.13 H new ATOM 0 HD22 ASN A 113 -1.491 -17.362 -1.038 1.00 44.13 H new ATOM 432 N GLY A 114 -3.180 -21.174 -4.876 1.00 13.12 N ATOM 433 CA GLY A 114 -4.205 -21.713 -5.749 1.00 74.52 C ATOM 434 C GLY A 114 -3.780 -23.010 -6.410 1.00 51.31 C ATOM 435 O GLY A 114 -2.615 -23.178 -6.773 1.00 72.15 O ATOM 0 H GLY A 114 -2.304 -20.935 -5.340 1.00 13.12 H new ATOM 0 HA2 GLY A 114 -5.115 -21.883 -5.174 1.00 74.52 H new ATOM 0 HA3 GLY A 114 -4.446 -20.979 -6.518 1.00 74.52 H new ATOM 439 N LYS A 115 -4.725 -23.931 -6.566 1.00 74.23 N ATOM 440 CA LYS A 115 -4.444 -25.219 -7.186 1.00 34.25 C ATOM 441 C LYS A 115 -5.366 -25.464 -8.376 1.00 42.21 C ATOM 442 O LYS A 115 -6.590 -25.429 -8.244 1.00 24.11 O ATOM 443 CB LYS A 115 -4.604 -26.347 -6.164 1.00 22.32 C ATOM 444 CG LYS A 115 -6.000 -26.435 -5.570 1.00 35.33 C ATOM 445 CD LYS A 115 -6.048 -27.405 -4.401 1.00 22.31 C ATOM 446 CE LYS A 115 -7.459 -27.919 -4.160 1.00 75.20 C ATOM 447 NZ LYS A 115 -7.462 -29.184 -3.374 1.00 11.23 N1+ ATOM 0 H LYS A 115 -5.694 -23.808 -6.271 1.00 74.23 H new ATOM 0 HA LYS A 115 -3.414 -25.204 -7.543 1.00 34.25 H new ATOM 0 HB2 LYS A 115 -4.361 -27.296 -6.642 1.00 22.32 H new ATOM 0 HB3 LYS A 115 -3.884 -26.202 -5.359 1.00 22.32 H new ATOM 0 HG2 LYS A 115 -6.318 -25.447 -5.237 1.00 35.33 H new ATOM 0 HG3 LYS A 115 -6.704 -26.755 -6.338 1.00 35.33 H new ATOM 0 HD2 LYS A 115 -5.382 -28.245 -4.597 1.00 22.31 H new ATOM 0 HD3 LYS A 115 -5.681 -26.911 -3.501 1.00 22.31 H new ATOM 0 HE2 LYS A 115 -8.036 -27.161 -3.630 1.00 75.20 H new ATOM 0 HE3 LYS A 115 -7.953 -28.085 -5.117 1.00 75.20 H new ATOM 0 HZ1 LYS A 115 -8.297 -29.749 -3.629 1.00 11.23 H new ATOM 0 HZ2 LYS A 115 -6.599 -29.726 -3.584 1.00 11.23 H new ATOM 0 HZ3 LYS A 115 -7.492 -28.962 -2.358 1.00 11.23 H new ATOM 461 N VAL A 116 -4.772 -25.711 -9.539 1.00 23.14 N ATOM 462 CA VAL A 116 -5.541 -25.963 -10.752 1.00 34.23 C ATOM 463 C VAL A 116 -5.421 -27.420 -11.186 1.00 0.13 C ATOM 464 O VAL A 116 -4.702 -28.206 -10.568 1.00 22.41 O ATOM 465 CB VAL A 116 -5.079 -25.055 -11.908 1.00 11.42 C ATOM 466 CG1 VAL A 116 -5.394 -23.599 -11.601 1.00 22.33 C ATOM 467 CG2 VAL A 116 -3.594 -25.244 -12.173 1.00 71.40 C ATOM 0 H VAL A 116 -3.761 -25.742 -9.667 1.00 23.14 H new ATOM 0 HA VAL A 116 -6.582 -25.741 -10.519 1.00 34.23 H new ATOM 0 HB VAL A 116 -5.623 -25.337 -12.809 1.00 11.42 H new ATOM 0 HG11 VAL A 116 -5.061 -22.972 -12.428 1.00 22.33 H new ATOM 0 HG12 VAL A 116 -6.469 -23.480 -11.466 1.00 22.33 H new ATOM 0 HG13 VAL A 116 -4.878 -23.300 -10.689 1.00 22.33 H new ATOM 0 HG21 VAL A 116 -3.285 -24.595 -12.992 1.00 71.40 H new ATOM 0 HG22 VAL A 116 -3.029 -24.990 -11.276 1.00 71.40 H new ATOM 0 HG23 VAL A 116 -3.402 -26.283 -12.441 1.00 71.40 H new ATOM 477 N LYS A 117 -6.129 -27.773 -12.253 1.00 32.33 N ATOM 478 CA LYS A 117 -6.101 -29.136 -12.772 1.00 42.33 C ATOM 479 C LYS A 117 -4.697 -29.517 -13.228 1.00 14.34 C ATOM 480 O LYS A 117 -4.305 -29.242 -14.361 1.00 60.05 O ATOM 481 CB LYS A 117 -7.083 -29.280 -13.937 1.00 61.43 C ATOM 482 CG LYS A 117 -7.467 -30.718 -14.236 1.00 62.31 C ATOM 483 CD LYS A 117 -8.305 -31.315 -13.118 1.00 13.11 C ATOM 484 CE LYS A 117 -8.956 -32.622 -13.546 1.00 34.15 C ATOM 485 NZ LYS A 117 -10.146 -32.392 -14.411 1.00 72.03 N1+ ATOM 0 H LYS A 117 -6.729 -27.135 -12.775 1.00 32.33 H new ATOM 0 HA LYS A 117 -6.398 -29.810 -11.968 1.00 42.33 H new ATOM 0 HB2 LYS A 117 -7.985 -28.711 -13.713 1.00 61.43 H new ATOM 0 HB3 LYS A 117 -6.641 -28.838 -14.830 1.00 61.43 H new ATOM 0 HG2 LYS A 117 -8.024 -30.760 -15.172 1.00 62.31 H new ATOM 0 HG3 LYS A 117 -6.566 -31.315 -14.375 1.00 62.31 H new ATOM 0 HD2 LYS A 117 -7.677 -31.489 -12.244 1.00 13.11 H new ATOM 0 HD3 LYS A 117 -9.076 -30.604 -12.820 1.00 13.11 H new ATOM 0 HE2 LYS A 117 -8.229 -33.231 -14.083 1.00 34.15 H new ATOM 0 HE3 LYS A 117 -9.253 -33.186 -12.662 1.00 34.15 H new ATOM 0 HZ1 LYS A 117 -10.591 -33.304 -14.639 1.00 72.03 H new ATOM 0 HZ2 LYS A 117 -10.829 -31.790 -13.909 1.00 72.03 H new ATOM 0 HZ3 LYS A 117 -9.850 -31.921 -15.290 1.00 72.03 H new ATOM 499 N GLY A 118 -3.941 -30.152 -12.337 1.00 2.22 N ATOM 500 CA GLY A 118 -2.589 -30.561 -12.668 1.00 23.52 C ATOM 501 C GLY A 118 -1.563 -29.494 -12.339 1.00 73.33 C ATOM 502 O GLY A 118 -0.449 -29.802 -11.919 1.00 53.41 O ATOM 0 H GLY A 118 -4.241 -30.390 -11.392 1.00 2.22 H new ATOM 0 HA2 GLY A 118 -2.346 -31.474 -12.125 1.00 23.52 H new ATOM 0 HA3 GLY A 118 -2.534 -30.798 -13.731 1.00 23.52 H new ATOM 506 N GLY A 119 -1.941 -28.233 -12.531 1.00 73.01 N ATOM 507 CA GLY A 119 -1.035 -27.137 -12.249 1.00 40.10 C ATOM 508 C GLY A 119 -1.151 -26.641 -10.821 1.00 3.33 C ATOM 509 O GLY A 119 -2.025 -27.079 -10.073 1.00 23.40 O ATOM 0 H GLY A 119 -2.859 -27.952 -12.877 1.00 73.01 H new ATOM 0 HA2 GLY A 119 -0.011 -27.459 -12.436 1.00 40.10 H new ATOM 0 HA3 GLY A 119 -1.241 -26.314 -12.934 1.00 40.10 H new ATOM 513 N PHE A 120 -0.268 -25.724 -10.441 1.00 21.13 N ATOM 514 CA PHE A 120 -0.273 -25.169 -9.092 1.00 73.13 C ATOM 515 C PHE A 120 0.275 -23.745 -9.088 1.00 33.45 C ATOM 516 O PHE A 120 1.366 -23.484 -9.596 1.00 42.12 O ATOM 517 CB PHE A 120 0.554 -26.049 -8.153 1.00 45.15 C ATOM 518 CG PHE A 120 -0.221 -27.193 -7.565 1.00 10.53 C ATOM 519 CD1 PHE A 120 -1.179 -26.970 -6.590 1.00 40.45 C ATOM 520 CD2 PHE A 120 0.008 -28.493 -7.988 1.00 41.15 C ATOM 521 CE1 PHE A 120 -1.895 -28.021 -6.048 1.00 33.12 C ATOM 522 CE2 PHE A 120 -0.704 -29.547 -7.450 1.00 24.30 C ATOM 523 CZ PHE A 120 -1.656 -29.311 -6.477 1.00 54.21 C ATOM 0 H PHE A 120 0.461 -25.349 -11.048 1.00 21.13 H new ATOM 0 HA PHE A 120 -1.304 -25.143 -8.740 1.00 73.13 H new ATOM 0 HB2 PHE A 120 1.411 -26.444 -8.699 1.00 45.15 H new ATOM 0 HB3 PHE A 120 0.948 -25.434 -7.344 1.00 45.15 H new ATOM 0 HD1 PHE A 120 -1.369 -25.963 -6.249 1.00 40.45 H new ATOM 0 HD2 PHE A 120 0.752 -28.684 -8.747 1.00 41.15 H new ATOM 0 HE1 PHE A 120 -2.641 -27.833 -5.290 1.00 33.12 H new ATOM 0 HE2 PHE A 120 -0.517 -30.555 -7.790 1.00 24.30 H new ATOM 0 HZ PHE A 120 -2.212 -30.134 -6.053 1.00 54.21 H new ATOM 533 N THR A 121 -0.491 -22.825 -8.510 1.00 3.13 N ATOM 534 CA THR A 121 -0.085 -21.427 -8.440 1.00 4.13 C ATOM 535 C THR A 121 0.531 -21.100 -7.084 1.00 21.42 C ATOM 536 O THR A 121 0.087 -21.601 -6.052 1.00 71.30 O ATOM 537 CB THR A 121 -1.277 -20.482 -8.689 1.00 11.34 C ATOM 538 OG1 THR A 121 -2.238 -20.617 -7.636 1.00 20.12 O ATOM 539 CG2 THR A 121 -1.937 -20.784 -10.025 1.00 43.11 C ATOM 0 H THR A 121 -1.396 -23.023 -8.084 1.00 3.13 H new ATOM 0 HA THR A 121 0.660 -21.276 -9.221 1.00 4.13 H new ATOM 0 HB THR A 121 -0.902 -19.459 -8.710 1.00 11.34 H new ATOM 0 HG1 THR A 121 -2.991 -20.012 -7.801 1.00 20.12 H new ATOM 0 HG21 THR A 121 -2.775 -20.105 -10.179 1.00 43.11 H new ATOM 0 HG22 THR A 121 -1.211 -20.652 -10.827 1.00 43.11 H new ATOM 0 HG23 THR A 121 -2.298 -21.812 -10.028 1.00 43.11 H new ATOM 547 N VAL A 122 1.559 -20.258 -7.095 1.00 12.32 N ATOM 548 CA VAL A 122 2.237 -19.863 -5.865 1.00 62.52 C ATOM 549 C VAL A 122 2.457 -18.355 -5.819 1.00 11.44 C ATOM 550 O VAL A 122 2.663 -17.717 -6.850 1.00 22.11 O ATOM 551 CB VAL A 122 3.595 -20.574 -5.720 1.00 61.21 C ATOM 552 CG1 VAL A 122 4.192 -20.312 -4.346 1.00 4.33 C ATOM 553 CG2 VAL A 122 3.444 -22.067 -5.968 1.00 4.41 C ATOM 0 H VAL A 122 1.941 -19.836 -7.941 1.00 12.32 H new ATOM 0 HA VAL A 122 1.591 -20.158 -5.038 1.00 62.52 H new ATOM 0 HB VAL A 122 4.277 -20.171 -6.469 1.00 61.21 H new ATOM 0 HG11 VAL A 122 5.151 -20.823 -4.263 1.00 4.33 H new ATOM 0 HG12 VAL A 122 4.339 -19.240 -4.211 1.00 4.33 H new ATOM 0 HG13 VAL A 122 3.515 -20.685 -3.578 1.00 4.33 H new ATOM 0 HG21 VAL A 122 4.414 -22.553 -5.861 1.00 4.41 H new ATOM 0 HG22 VAL A 122 2.746 -22.487 -5.244 1.00 4.41 H new ATOM 0 HG23 VAL A 122 3.064 -22.232 -6.976 1.00 4.41 H new ATOM 563 N GLU A 123 2.412 -17.794 -4.615 1.00 1.41 N ATOM 564 CA GLU A 123 2.607 -16.359 -4.434 1.00 24.31 C ATOM 565 C GLU A 123 4.049 -16.051 -4.040 1.00 24.33 C ATOM 566 O GLU A 123 4.626 -16.718 -3.180 1.00 63.43 O ATOM 567 CB GLU A 123 1.650 -15.823 -3.368 1.00 10.44 C ATOM 568 CG GLU A 123 1.534 -14.308 -3.361 1.00 13.44 C ATOM 569 CD GLU A 123 1.011 -13.768 -2.044 1.00 44.22 C ATOM 570 OE1 GLU A 123 -0.208 -13.883 -1.798 1.00 14.32 O1- ATOM 571 OE2 GLU A 123 1.821 -13.231 -1.260 1.00 5.32 O ATOM 0 H GLU A 123 2.243 -18.310 -3.751 1.00 1.41 H new ATOM 0 HA GLU A 123 2.395 -15.867 -5.383 1.00 24.31 H new ATOM 0 HB2 GLU A 123 0.662 -16.254 -3.529 1.00 10.44 H new ATOM 0 HB3 GLU A 123 1.988 -16.158 -2.387 1.00 10.44 H new ATOM 0 HG2 GLU A 123 2.512 -13.872 -3.565 1.00 13.44 H new ATOM 0 HG3 GLU A 123 0.870 -13.995 -4.167 1.00 13.44 H new ATOM 578 N LEU A 124 4.625 -15.038 -4.676 1.00 13.23 N ATOM 579 CA LEU A 124 6.000 -14.640 -4.394 1.00 3.34 C ATOM 580 C LEU A 124 6.135 -13.121 -4.372 1.00 14.51 C ATOM 581 O LEU A 124 6.671 -12.522 -5.302 1.00 51.32 O ATOM 582 CB LEU A 124 6.948 -15.232 -5.439 1.00 74.20 C ATOM 583 CG LEU A 124 7.043 -16.757 -5.472 1.00 25.45 C ATOM 584 CD1 LEU A 124 7.784 -17.220 -6.716 1.00 35.05 C ATOM 585 CD2 LEU A 124 7.729 -17.276 -4.217 1.00 14.43 C ATOM 0 H LEU A 124 4.162 -14.477 -5.391 1.00 13.23 H new ATOM 0 HA LEU A 124 6.268 -15.024 -3.410 1.00 3.34 H new ATOM 0 HB2 LEU A 124 6.633 -14.886 -6.423 1.00 74.20 H new ATOM 0 HB3 LEU A 124 7.946 -14.830 -5.264 1.00 74.20 H new ATOM 0 HG LEU A 124 6.032 -17.163 -5.504 1.00 25.45 H new ATOM 0 HD11 LEU A 124 7.841 -18.308 -6.721 1.00 35.05 H new ATOM 0 HD12 LEU A 124 7.251 -16.880 -7.604 1.00 35.05 H new ATOM 0 HD13 LEU A 124 8.791 -16.804 -6.716 1.00 35.05 H new ATOM 0 HD21 LEU A 124 7.788 -18.364 -4.258 1.00 14.43 H new ATOM 0 HD22 LEU A 124 8.735 -16.860 -4.154 1.00 14.43 H new ATOM 0 HD23 LEU A 124 7.157 -16.976 -3.339 1.00 14.43 H new ATOM 597 N ASN A 125 5.644 -12.505 -3.300 1.00 42.42 N ATOM 598 CA ASN A 125 5.711 -11.055 -3.156 1.00 23.03 C ATOM 599 C ASN A 125 4.909 -10.361 -4.254 1.00 71.21 C ATOM 600 O ASN A 125 5.349 -9.362 -4.822 1.00 12.11 O ATOM 601 CB ASN A 125 7.165 -10.584 -3.197 1.00 41.54 C ATOM 602 CG ASN A 125 8.110 -11.567 -2.534 1.00 2.20 C ATOM 603 OD1 ASN A 125 7.910 -11.961 -1.385 1.00 61.54 O ATOM 604 ND2 ASN A 125 9.148 -11.971 -3.258 1.00 75.40 N ATOM 0 H ASN A 125 5.196 -12.987 -2.520 1.00 42.42 H new ATOM 0 HA ASN A 125 5.277 -10.791 -2.191 1.00 23.03 H new ATOM 0 HB2 ASN A 125 7.467 -10.437 -4.234 1.00 41.54 H new ATOM 0 HB3 ASN A 125 7.245 -9.617 -2.701 1.00 41.54 H new ATOM 0 HD21 ASN A 125 9.817 -12.633 -2.865 1.00 75.40 H new ATOM 0 HD22 ASN A 125 9.276 -11.619 -4.207 1.00 75.40 H new ATOM 611 N GLY A 126 3.729 -10.899 -4.546 1.00 44.14 N ATOM 612 CA GLY A 126 2.884 -10.319 -5.575 1.00 71.51 C ATOM 613 C GLY A 126 2.923 -11.105 -6.870 1.00 14.11 C ATOM 614 O GLY A 126 1.937 -11.149 -7.606 1.00 40.40 O ATOM 0 H GLY A 126 3.343 -11.725 -4.089 1.00 44.14 H new ATOM 0 HA2 GLY A 126 1.857 -10.272 -5.213 1.00 71.51 H new ATOM 0 HA3 GLY A 126 3.202 -9.294 -5.766 1.00 71.51 H new ATOM 618 N ILE A 127 4.062 -11.729 -7.148 1.00 22.22 N ATOM 619 CA ILE A 127 4.225 -12.518 -8.362 1.00 73.32 C ATOM 620 C ILE A 127 3.555 -13.881 -8.225 1.00 14.32 C ATOM 621 O ILE A 127 3.560 -14.482 -7.151 1.00 64.31 O ATOM 622 CB ILE A 127 5.712 -12.721 -8.707 1.00 24.54 C ATOM 623 CG1 ILE A 127 6.406 -11.368 -8.884 1.00 35.23 C ATOM 624 CG2 ILE A 127 5.854 -13.564 -9.966 1.00 3.54 C ATOM 625 CD1 ILE A 127 7.876 -11.484 -9.219 1.00 1.33 C ATOM 0 H ILE A 127 4.887 -11.703 -6.548 1.00 22.22 H new ATOM 0 HA ILE A 127 3.747 -11.960 -9.168 1.00 73.32 H new ATOM 0 HB ILE A 127 6.192 -13.250 -7.884 1.00 24.54 H new ATOM 0 HG12 ILE A 127 5.904 -10.812 -9.675 1.00 35.23 H new ATOM 0 HG13 ILE A 127 6.295 -10.789 -7.967 1.00 35.23 H new ATOM 0 HG21 ILE A 127 6.911 -13.698 -10.197 1.00 3.54 H new ATOM 0 HG22 ILE A 127 5.391 -14.538 -9.806 1.00 3.54 H new ATOM 0 HG23 ILE A 127 5.362 -13.061 -10.798 1.00 3.54 H new ATOM 0 HD11 ILE A 127 8.304 -10.488 -9.330 1.00 1.33 H new ATOM 0 HD12 ILE A 127 8.391 -12.013 -8.417 1.00 1.33 H new ATOM 0 HD13 ILE A 127 7.994 -12.036 -10.152 1.00 1.33 H new ATOM 637 N ARG A 128 2.982 -14.365 -9.322 1.00 34.50 N ATOM 638 CA ARG A 128 2.310 -15.659 -9.325 1.00 4.34 C ATOM 639 C ARG A 128 3.111 -16.687 -10.120 1.00 60.24 C ATOM 640 O ARG A 128 3.264 -16.563 -11.335 1.00 55.21 O ATOM 641 CB ARG A 128 0.904 -15.525 -9.914 1.00 35.11 C ATOM 642 CG ARG A 128 -0.135 -15.055 -8.910 1.00 21.23 C ATOM 643 CD ARG A 128 -1.361 -14.481 -9.604 1.00 73.51 C ATOM 644 NE ARG A 128 -2.287 -15.526 -10.031 1.00 62.14 N ATOM 645 CZ ARG A 128 -3.315 -15.310 -10.845 1.00 54.34 C ATOM 646 NH1 ARG A 128 -3.545 -14.093 -11.318 1.00 63.40 N1+ ATOM 647 NH2 ARG A 128 -4.114 -16.313 -11.188 1.00 13.12 N ATOM 0 H ARG A 128 2.970 -13.881 -10.220 1.00 34.50 H new ATOM 0 HA ARG A 128 2.234 -16.003 -8.294 1.00 4.34 H new ATOM 0 HB2 ARG A 128 0.934 -14.824 -10.748 1.00 35.11 H new ATOM 0 HB3 ARG A 128 0.596 -16.489 -10.319 1.00 35.11 H new ATOM 0 HG2 ARG A 128 -0.432 -15.889 -8.275 1.00 21.23 H new ATOM 0 HG3 ARG A 128 0.303 -14.299 -8.258 1.00 21.23 H new ATOM 0 HD2 ARG A 128 -1.873 -13.797 -8.928 1.00 73.51 H new ATOM 0 HD3 ARG A 128 -1.048 -13.898 -10.470 1.00 73.51 H new ATOM 0 HE ARG A 128 -2.137 -16.474 -9.686 1.00 62.14 H new ATOM 0 HH11 ARG A 128 -2.932 -13.320 -11.057 1.00 63.40 H new ATOM 0 HH12 ARG A 128 -4.335 -13.929 -11.943 1.00 63.40 H new ATOM 0 HH21 ARG A 128 -3.939 -17.251 -10.827 1.00 13.12 H new ATOM 0 HH22 ARG A 128 -4.903 -16.146 -11.813 1.00 13.12 H new ATOM 661 N ALA A 129 3.619 -17.699 -9.425 1.00 23.11 N ATOM 662 CA ALA A 129 4.402 -18.748 -10.066 1.00 52.14 C ATOM 663 C ALA A 129 3.518 -19.920 -10.476 1.00 51.23 C ATOM 664 O ALA A 129 2.340 -19.975 -10.124 1.00 40.33 O ATOM 665 CB ALA A 129 5.511 -19.221 -9.137 1.00 63.52 C ATOM 0 H ALA A 129 3.502 -17.815 -8.418 1.00 23.11 H new ATOM 0 HA ALA A 129 4.851 -18.332 -10.968 1.00 52.14 H new ATOM 0 HB1 ALA A 129 6.088 -20.004 -9.628 1.00 63.52 H new ATOM 0 HB2 ALA A 129 6.167 -18.384 -8.897 1.00 63.52 H new ATOM 0 HB3 ALA A 129 5.074 -19.614 -8.219 1.00 63.52 H new ATOM 671 N PHE A 130 4.093 -20.857 -11.224 1.00 51.13 N ATOM 672 CA PHE A 130 3.356 -22.027 -11.684 1.00 11.43 C ATOM 673 C PHE A 130 4.193 -23.293 -11.525 1.00 70.34 C ATOM 674 O PHE A 130 5.348 -23.346 -11.950 1.00 70.32 O ATOM 675 CB PHE A 130 2.943 -21.855 -13.147 1.00 33.32 C ATOM 676 CG PHE A 130 1.640 -22.519 -13.486 1.00 74.44 C ATOM 677 CD1 PHE A 130 1.580 -23.885 -13.710 1.00 63.42 C ATOM 678 CD2 PHE A 130 0.473 -21.777 -13.579 1.00 15.20 C ATOM 679 CE1 PHE A 130 0.382 -24.500 -14.020 1.00 15.24 C ATOM 680 CE2 PHE A 130 -0.728 -22.385 -13.889 1.00 51.42 C ATOM 681 CZ PHE A 130 -0.774 -23.748 -14.112 1.00 35.35 C ATOM 0 H PHE A 130 5.067 -20.828 -11.524 1.00 51.13 H new ATOM 0 HA PHE A 130 2.460 -22.125 -11.071 1.00 11.43 H new ATOM 0 HB2 PHE A 130 2.868 -20.791 -13.372 1.00 33.32 H new ATOM 0 HB3 PHE A 130 3.726 -22.262 -13.787 1.00 33.32 H new ATOM 0 HD1 PHE A 130 2.481 -24.477 -13.641 1.00 63.42 H new ATOM 0 HD2 PHE A 130 0.503 -20.711 -13.407 1.00 15.20 H new ATOM 0 HE1 PHE A 130 0.349 -25.566 -14.190 1.00 15.24 H new ATOM 0 HE2 PHE A 130 -1.630 -21.796 -13.957 1.00 51.42 H new ATOM 0 HZ PHE A 130 -1.711 -24.225 -14.358 1.00 35.35 H new ATOM 691 N LEU A 131 3.602 -24.313 -10.912 1.00 42.32 N ATOM 692 CA LEU A 131 4.292 -25.581 -10.696 1.00 71.54 C ATOM 693 C LEU A 131 3.709 -26.676 -11.583 1.00 33.11 C ATOM 694 O LEU A 131 2.497 -26.880 -11.644 1.00 13.54 O ATOM 695 CB LEU A 131 4.194 -25.993 -9.226 1.00 3.45 C ATOM 696 CG LEU A 131 4.062 -24.852 -8.216 1.00 1.01 C ATOM 697 CD1 LEU A 131 3.979 -25.400 -6.801 1.00 72.14 C ATOM 698 CD2 LEU A 131 5.230 -23.885 -8.348 1.00 1.05 C ATOM 0 H LEU A 131 2.647 -24.287 -10.556 1.00 42.32 H new ATOM 0 HA LEU A 131 5.341 -25.446 -10.960 1.00 71.54 H new ATOM 0 HB2 LEU A 131 3.335 -26.654 -9.111 1.00 3.45 H new ATOM 0 HB3 LEU A 131 5.080 -26.575 -8.973 1.00 3.45 H new ATOM 0 HG LEU A 131 3.141 -24.309 -8.428 1.00 1.01 H new ATOM 0 HD11 LEU A 131 3.885 -24.574 -6.096 1.00 72.14 H new ATOM 0 HD12 LEU A 131 3.110 -26.052 -6.714 1.00 72.14 H new ATOM 0 HD13 LEU A 131 4.882 -25.968 -6.577 1.00 72.14 H new ATOM 0 HD21 LEU A 131 5.119 -23.080 -7.622 1.00 1.05 H new ATOM 0 HD22 LEU A 131 6.164 -24.415 -8.163 1.00 1.05 H new ATOM 0 HD23 LEU A 131 5.244 -23.467 -9.354 1.00 1.05 H new ATOM 710 N PRO A 132 4.592 -27.400 -12.287 1.00 44.13 N ATOM 711 CA PRO A 132 4.189 -28.489 -13.182 1.00 23.41 C ATOM 712 C PRO A 132 3.657 -29.697 -12.421 1.00 0.41 C ATOM 713 O PRO A 132 4.181 -30.059 -11.368 1.00 50.35 O ATOM 714 CB PRO A 132 5.486 -28.845 -13.914 1.00 2.04 C ATOM 715 CG PRO A 132 6.572 -28.423 -12.987 1.00 70.40 C ATOM 716 CD PRO A 132 6.052 -27.210 -12.264 1.00 11.23 C ATOM 0 HA PRO A 132 3.377 -28.192 -13.846 1.00 23.41 H new ATOM 0 HB2 PRO A 132 5.540 -29.913 -14.127 1.00 2.04 H new ATOM 0 HB3 PRO A 132 5.557 -28.325 -14.869 1.00 2.04 H new ATOM 0 HG2 PRO A 132 6.818 -29.220 -12.285 1.00 70.40 H new ATOM 0 HG3 PRO A 132 7.484 -28.189 -13.536 1.00 70.40 H new ATOM 0 HD2 PRO A 132 6.434 -27.155 -11.245 1.00 11.23 H new ATOM 0 HD3 PRO A 132 6.345 -26.287 -12.765 1.00 11.23 H new ATOM 724 N GLY A 133 2.612 -30.319 -12.960 1.00 51.13 N ATOM 725 CA GLY A 133 2.028 -31.481 -12.318 1.00 72.20 C ATOM 726 C GLY A 133 2.969 -32.669 -12.299 1.00 24.31 C ATOM 727 O GLY A 133 2.720 -33.658 -11.610 1.00 62.54 O ATOM 0 H GLY A 133 2.160 -30.038 -13.830 1.00 51.13 H new ATOM 0 HA2 GLY A 133 1.750 -31.226 -11.295 1.00 72.20 H new ATOM 0 HA3 GLY A 133 1.111 -31.757 -12.838 1.00 72.20 H new ATOM 731 N SER A 134 4.055 -32.573 -13.061 1.00 13.24 N ATOM 732 CA SER A 134 5.035 -33.651 -13.134 1.00 0.03 C ATOM 733 C SER A 134 5.914 -33.672 -11.887 1.00 14.21 C ATOM 734 O SER A 134 6.503 -34.699 -11.545 1.00 33.45 O ATOM 735 CB SER A 134 5.906 -33.494 -14.382 1.00 71.14 C ATOM 736 OG SER A 134 6.502 -34.726 -14.746 1.00 54.54 O ATOM 0 H SER A 134 4.278 -31.760 -13.636 1.00 13.24 H new ATOM 0 HA SER A 134 4.495 -34.596 -13.193 1.00 0.03 H new ATOM 0 HB2 SER A 134 5.300 -33.122 -15.208 1.00 71.14 H new ATOM 0 HB3 SER A 134 6.682 -32.752 -14.196 1.00 71.14 H new ATOM 0 HG SER A 134 6.632 -34.752 -15.717 1.00 54.54 H new ATOM 742 N LEU A 135 5.996 -32.532 -11.211 1.00 22.34 N ATOM 743 CA LEU A 135 6.803 -32.417 -10.000 1.00 71.02 C ATOM 744 C LEU A 135 5.956 -31.939 -8.825 1.00 43.52 C ATOM 745 O LEU A 135 6.405 -31.134 -8.010 1.00 62.30 O ATOM 746 CB LEU A 135 7.968 -31.452 -10.230 1.00 1.33 C ATOM 747 CG LEU A 135 9.301 -31.848 -9.593 1.00 35.31 C ATOM 748 CD1 LEU A 135 9.119 -32.145 -8.113 1.00 35.24 C ATOM 749 CD2 LEU A 135 9.899 -33.049 -10.311 1.00 24.21 C ATOM 0 H LEU A 135 5.514 -31.674 -11.480 1.00 22.34 H new ATOM 0 HA LEU A 135 7.199 -33.404 -9.761 1.00 71.02 H new ATOM 0 HB2 LEU A 135 8.119 -31.345 -11.304 1.00 1.33 H new ATOM 0 HB3 LEU A 135 7.683 -30.472 -9.849 1.00 1.33 H new ATOM 0 HG LEU A 135 9.992 -31.010 -9.691 1.00 35.31 H new ATOM 0 HD11 LEU A 135 10.078 -32.425 -7.677 1.00 35.24 H new ATOM 0 HD12 LEU A 135 8.736 -31.258 -7.608 1.00 35.24 H new ATOM 0 HD13 LEU A 135 8.412 -32.965 -7.991 1.00 35.24 H new ATOM 0 HD21 LEU A 135 10.847 -33.317 -9.844 1.00 24.21 H new ATOM 0 HD22 LEU A 135 9.211 -33.892 -10.245 1.00 24.21 H new ATOM 0 HD23 LEU A 135 10.068 -32.800 -11.359 1.00 24.21 H new ATOM 761 N VAL A 136 4.728 -32.443 -8.743 1.00 10.15 N ATOM 762 CA VAL A 136 3.819 -32.071 -7.666 1.00 65.54 C ATOM 763 C VAL A 136 4.465 -32.290 -6.302 1.00 40.25 C ATOM 764 O VAL A 136 4.671 -31.344 -5.541 1.00 34.33 O ATOM 765 CB VAL A 136 2.507 -32.874 -7.735 1.00 44.33 C ATOM 766 CG1 VAL A 136 1.598 -32.514 -6.570 1.00 72.44 C ATOM 767 CG2 VAL A 136 1.806 -32.632 -9.064 1.00 24.52 C ATOM 0 H VAL A 136 4.340 -33.110 -9.410 1.00 10.15 H new ATOM 0 HA VAL A 136 3.594 -31.012 -7.793 1.00 65.54 H new ATOM 0 HB VAL A 136 2.746 -33.935 -7.663 1.00 44.33 H new ATOM 0 HG11 VAL A 136 0.676 -33.092 -6.636 1.00 72.44 H new ATOM 0 HG12 VAL A 136 2.102 -32.742 -5.631 1.00 72.44 H new ATOM 0 HG13 VAL A 136 1.363 -31.450 -6.607 1.00 72.44 H new ATOM 0 HG21 VAL A 136 0.880 -33.207 -9.097 1.00 24.52 H new ATOM 0 HG22 VAL A 136 1.578 -31.571 -9.167 1.00 24.52 H new ATOM 0 HG23 VAL A 136 2.457 -32.945 -9.881 1.00 24.52 H new ATOM 777 N ASP A 137 4.781 -33.544 -5.998 1.00 63.00 N ATOM 778 CA ASP A 137 5.405 -33.889 -4.726 1.00 72.00 C ATOM 779 C ASP A 137 5.668 -35.389 -4.638 1.00 1.41 C ATOM 780 O ASP A 137 5.223 -36.159 -5.490 1.00 33.31 O ATOM 781 CB ASP A 137 4.518 -33.446 -3.562 1.00 42.44 C ATOM 782 CG ASP A 137 5.036 -32.193 -2.882 1.00 44.32 C ATOM 783 OD1 ASP A 137 6.271 -32.044 -2.780 1.00 53.44 O1- ATOM 784 OD2 ASP A 137 4.207 -31.365 -2.453 1.00 15.05 O ATOM 0 H ASP A 137 4.615 -34.339 -6.615 1.00 63.00 H new ATOM 0 HA ASP A 137 6.360 -33.367 -4.665 1.00 72.00 H new ATOM 0 HB2 ASP A 137 3.507 -33.266 -3.928 1.00 42.44 H new ATOM 0 HB3 ASP A 137 4.454 -34.252 -2.831 1.00 42.44 H new ATOM 789 N VAL A 138 6.396 -35.798 -3.604 1.00 53.41 N ATOM 790 CA VAL A 138 6.719 -37.206 -3.406 1.00 15.53 C ATOM 791 C VAL A 138 5.901 -37.802 -2.265 1.00 1.43 C ATOM 792 O VAL A 138 5.971 -37.334 -1.128 1.00 34.11 O ATOM 793 CB VAL A 138 8.217 -37.401 -3.105 1.00 13.01 C ATOM 794 CG1 VAL A 138 8.640 -36.549 -1.919 1.00 11.43 C ATOM 795 CG2 VAL A 138 8.522 -38.870 -2.853 1.00 50.50 C ATOM 0 H VAL A 138 6.773 -35.174 -2.890 1.00 53.41 H new ATOM 0 HA VAL A 138 6.472 -37.721 -4.334 1.00 15.53 H new ATOM 0 HB VAL A 138 8.789 -37.078 -3.975 1.00 13.01 H new ATOM 0 HG11 VAL A 138 9.701 -36.701 -1.722 1.00 11.43 H new ATOM 0 HG12 VAL A 138 8.459 -35.498 -2.143 1.00 11.43 H new ATOM 0 HG13 VAL A 138 8.063 -36.837 -1.040 1.00 11.43 H new ATOM 0 HG21 VAL A 138 9.585 -38.990 -2.642 1.00 50.50 H new ATOM 0 HG22 VAL A 138 7.941 -39.221 -2.000 1.00 50.50 H new ATOM 0 HG23 VAL A 138 8.259 -39.453 -3.736 1.00 50.50 H new ATOM 805 N ARG A 139 5.127 -38.837 -2.576 1.00 35.25 N ATOM 806 CA ARG A 139 4.296 -39.496 -1.577 1.00 31.31 C ATOM 807 C ARG A 139 3.562 -40.689 -2.182 1.00 33.22 C ATOM 808 O ARG A 139 3.412 -40.806 -3.399 1.00 64.02 O ATOM 809 CB ARG A 139 3.286 -38.508 -0.990 1.00 30.13 C ATOM 810 CG ARG A 139 3.628 -38.052 0.419 1.00 20.12 C ATOM 811 CD ARG A 139 2.394 -38.011 1.307 1.00 14.14 C ATOM 812 NE ARG A 139 2.677 -37.417 2.610 1.00 54.24 N ATOM 813 CZ ARG A 139 1.901 -37.580 3.677 1.00 72.02 C ATOM 814 NH1 ARG A 139 0.801 -38.317 3.593 1.00 5.33 N1+ ATOM 815 NH2 ARG A 139 2.225 -37.007 4.828 1.00 4.43 N ATOM 0 H ARG A 139 5.059 -39.237 -3.512 1.00 35.25 H new ATOM 0 HA ARG A 139 4.947 -39.857 -0.781 1.00 31.31 H new ATOM 0 HB2 ARG A 139 3.224 -37.635 -1.640 1.00 30.13 H new ATOM 0 HB3 ARG A 139 2.299 -38.971 -0.983 1.00 30.13 H new ATOM 0 HG2 ARG A 139 4.367 -38.727 0.852 1.00 20.12 H new ATOM 0 HG3 ARG A 139 4.084 -37.063 0.382 1.00 20.12 H new ATOM 0 HD2 ARG A 139 1.609 -37.440 0.811 1.00 14.14 H new ATOM 0 HD3 ARG A 139 2.013 -39.023 1.445 1.00 14.14 H new ATOM 0 HE ARG A 139 3.516 -36.845 2.707 1.00 54.24 H new ATOM 0 HH11 ARG A 139 0.550 -38.759 2.709 1.00 5.33 H new ATOM 0 HH12 ARG A 139 0.207 -38.441 4.413 1.00 5.33 H new ATOM 0 HH21 ARG A 139 3.070 -36.440 4.895 1.00 4.43 H new ATOM 0 HH22 ARG A 139 1.629 -37.133 5.646 1.00 4.43 H new ATOM 829 N PRO A 140 3.095 -41.599 -1.314 1.00 72.14 N ATOM 830 CA PRO A 140 2.369 -42.800 -1.740 1.00 14.50 C ATOM 831 C PRO A 140 0.987 -42.476 -2.297 1.00 3.15 C ATOM 832 O PRO A 140 0.486 -41.363 -2.132 1.00 52.42 O ATOM 833 CB PRO A 140 2.250 -43.618 -0.451 1.00 25.24 C ATOM 834 CG PRO A 140 2.322 -42.610 0.643 1.00 34.04 C ATOM 835 CD PRO A 140 3.237 -41.525 0.149 1.00 45.02 C ATOM 0 HA PRO A 140 2.883 -43.323 -2.546 1.00 14.50 H new ATOM 0 HB2 PRO A 140 1.312 -44.172 -0.418 1.00 25.24 H new ATOM 0 HB3 PRO A 140 3.055 -44.349 -0.370 1.00 25.24 H new ATOM 0 HG2 PRO A 140 1.333 -42.212 0.872 1.00 34.04 H new ATOM 0 HG3 PRO A 140 2.706 -43.057 1.560 1.00 34.04 H new ATOM 0 HD2 PRO A 140 2.945 -40.547 0.532 1.00 45.02 H new ATOM 0 HD3 PRO A 140 4.267 -41.695 0.462 1.00 45.02 H new ATOM 843 N VAL A 141 0.375 -43.454 -2.954 1.00 14.24 N ATOM 844 CA VAL A 141 -0.951 -43.273 -3.534 1.00 40.14 C ATOM 845 C VAL A 141 -1.930 -42.724 -2.504 1.00 51.04 C ATOM 846 O VAL A 141 -2.875 -42.013 -2.848 1.00 50.42 O ATOM 847 CB VAL A 141 -1.504 -44.597 -4.095 1.00 61.41 C ATOM 848 CG1 VAL A 141 -0.578 -45.149 -5.169 1.00 4.11 C ATOM 849 CG2 VAL A 141 -1.699 -45.609 -2.977 1.00 2.25 C ATOM 0 H VAL A 141 0.776 -44.381 -3.099 1.00 14.24 H new ATOM 0 HA VAL A 141 -0.845 -42.557 -4.349 1.00 40.14 H new ATOM 0 HB VAL A 141 -2.475 -44.402 -4.550 1.00 61.41 H new ATOM 0 HG11 VAL A 141 -0.984 -46.084 -5.554 1.00 4.11 H new ATOM 0 HG12 VAL A 141 -0.493 -44.428 -5.982 1.00 4.11 H new ATOM 0 HG13 VAL A 141 0.408 -45.331 -4.741 1.00 4.11 H new ATOM 0 HG21 VAL A 141 -2.090 -46.538 -3.391 1.00 2.25 H new ATOM 0 HG22 VAL A 141 -0.743 -45.803 -2.491 1.00 2.25 H new ATOM 0 HG23 VAL A 141 -2.404 -45.213 -2.246 1.00 2.25 H new ATOM 859 N ARG A 142 -1.698 -43.056 -1.238 1.00 71.04 N ATOM 860 CA ARG A 142 -2.560 -42.595 -0.157 1.00 53.24 C ATOM 861 C ARG A 142 -2.743 -41.082 -0.213 1.00 4.13 C ATOM 862 O ARG A 142 -1.775 -40.335 -0.365 1.00 5.33 O ATOM 863 CB ARG A 142 -1.976 -43.000 1.199 1.00 34.10 C ATOM 864 CG ARG A 142 -2.063 -44.490 1.479 1.00 34.45 C ATOM 865 CD ARG A 142 -1.774 -44.799 2.940 1.00 41.42 C ATOM 866 NE ARG A 142 -0.551 -44.152 3.405 1.00 32.52 N ATOM 867 CZ ARG A 142 -0.222 -44.036 4.687 1.00 43.31 C ATOM 868 NH1 ARG A 142 -1.021 -44.525 5.627 1.00 73.12 N1+ ATOM 869 NH2 ARG A 142 0.908 -43.433 5.031 1.00 14.02 N ATOM 0 H ARG A 142 -0.920 -43.643 -0.936 1.00 71.04 H new ATOM 0 HA ARG A 142 -3.536 -43.065 -0.280 1.00 53.24 H new ATOM 0 HB2 ARG A 142 -0.931 -42.691 1.242 1.00 34.10 H new ATOM 0 HB3 ARG A 142 -2.501 -42.460 1.987 1.00 34.10 H new ATOM 0 HG2 ARG A 142 -3.057 -44.853 1.219 1.00 34.45 H new ATOM 0 HG3 ARG A 142 -1.353 -45.023 0.846 1.00 34.45 H new ATOM 0 HD2 ARG A 142 -2.613 -44.470 3.553 1.00 41.42 H new ATOM 0 HD3 ARG A 142 -1.686 -45.877 3.072 1.00 41.42 H new ATOM 0 HE ARG A 142 0.086 -43.768 2.707 1.00 32.52 H new ATOM 0 HH11 ARG A 142 -1.890 -44.991 5.366 1.00 73.12 H new ATOM 0 HH12 ARG A 142 -0.766 -44.435 6.611 1.00 73.12 H new ATOM 0 HH21 ARG A 142 1.525 -43.058 4.311 1.00 14.02 H new ATOM 0 HH22 ARG A 142 1.160 -43.344 6.016 1.00 14.02 H new ATOM 883 N ASP A 143 -3.988 -40.636 -0.089 1.00 41.32 N ATOM 884 CA ASP A 143 -4.297 -39.211 -0.126 1.00 33.40 C ATOM 885 C ASP A 143 -3.428 -38.441 0.864 1.00 60.23 C ATOM 886 O ASP A 143 -2.744 -39.033 1.700 1.00 42.31 O ATOM 887 CB ASP A 143 -5.776 -38.980 0.188 1.00 30.13 C ATOM 888 CG ASP A 143 -6.132 -39.361 1.611 1.00 23.42 C ATOM 889 OD1 ASP A 143 -5.799 -40.492 2.023 1.00 1.43 O1- ATOM 890 OD2 ASP A 143 -6.744 -38.529 2.313 1.00 65.31 O ATOM 0 H ASP A 143 -4.800 -41.240 0.038 1.00 41.32 H new ATOM 0 HA ASP A 143 -4.085 -38.844 -1.130 1.00 33.40 H new ATOM 0 HB2 ASP A 143 -6.019 -37.930 0.024 1.00 30.13 H new ATOM 0 HB3 ASP A 143 -6.386 -39.560 -0.504 1.00 30.13 H new ATOM 895 N THR A 144 -3.457 -37.115 0.763 1.00 33.51 N ATOM 896 CA THR A 144 -2.671 -36.264 1.647 1.00 12.22 C ATOM 897 C THR A 144 -3.066 -34.800 1.496 1.00 32.31 C ATOM 898 O THR A 144 -3.356 -34.335 0.392 1.00 31.31 O ATOM 899 CB THR A 144 -1.163 -36.408 1.371 1.00 3.12 C ATOM 900 OG1 THR A 144 -0.442 -35.358 2.027 1.00 2.12 O ATOM 901 CG2 THR A 144 -0.880 -36.365 -0.124 1.00 34.45 C ATOM 0 H THR A 144 -4.017 -36.608 0.077 1.00 33.51 H new ATOM 0 HA THR A 144 -2.879 -36.590 2.666 1.00 12.22 H new ATOM 0 HB THR A 144 -0.836 -37.372 1.760 1.00 3.12 H new ATOM 0 HG1 THR A 144 -0.129 -34.711 1.361 1.00 2.12 H new ATOM 0 HG21 THR A 144 0.192 -36.469 -0.295 1.00 34.45 H new ATOM 0 HG22 THR A 144 -1.407 -37.182 -0.618 1.00 34.45 H new ATOM 0 HG23 THR A 144 -1.222 -35.414 -0.532 1.00 34.45 H new ATOM 909 N LEU A 145 -3.077 -34.076 2.610 1.00 25.21 N ATOM 910 CA LEU A 145 -3.437 -32.662 2.600 1.00 41.45 C ATOM 911 C LEU A 145 -2.213 -31.791 2.333 1.00 44.04 C ATOM 912 O LEU A 145 -2.333 -30.583 2.123 1.00 41.05 O ATOM 913 CB LEU A 145 -4.076 -32.270 3.934 1.00 72.14 C ATOM 914 CG LEU A 145 -4.472 -30.801 4.082 1.00 12.03 C ATOM 915 CD1 LEU A 145 -5.834 -30.679 4.745 1.00 10.12 C ATOM 916 CD2 LEU A 145 -3.419 -30.042 4.876 1.00 72.53 C ATOM 0 H LEU A 145 -2.841 -34.444 3.531 1.00 25.21 H new ATOM 0 HA LEU A 145 -4.157 -32.500 1.798 1.00 41.45 H new ATOM 0 HB2 LEU A 145 -4.966 -32.882 4.082 1.00 72.14 H new ATOM 0 HB3 LEU A 145 -3.380 -32.521 4.735 1.00 72.14 H new ATOM 0 HG LEU A 145 -4.535 -30.360 3.087 1.00 12.03 H new ATOM 0 HD11 LEU A 145 -6.099 -29.626 4.842 1.00 10.12 H new ATOM 0 HD12 LEU A 145 -6.582 -31.187 4.136 1.00 10.12 H new ATOM 0 HD13 LEU A 145 -5.800 -31.137 5.734 1.00 10.12 H new ATOM 0 HD21 LEU A 145 -3.718 -28.998 4.971 1.00 72.53 H new ATOM 0 HD22 LEU A 145 -3.323 -30.484 5.868 1.00 72.53 H new ATOM 0 HD23 LEU A 145 -2.461 -30.100 4.358 1.00 72.53 H new ATOM 928 N HIS A 146 -1.038 -32.411 2.342 1.00 33.21 N ATOM 929 CA HIS A 146 0.207 -31.693 2.099 1.00 1.43 C ATOM 930 C HIS A 146 0.220 -31.087 0.698 1.00 63.11 C ATOM 931 O HIS A 146 1.034 -30.213 0.396 1.00 22.21 O ATOM 932 CB HIS A 146 1.403 -32.629 2.272 1.00 72.35 C ATOM 933 CG HIS A 146 1.856 -33.267 0.994 1.00 0.24 C ATOM 934 ND1 HIS A 146 0.998 -33.923 0.136 1.00 1.44 N ATOM 935 CD2 HIS A 146 3.083 -33.345 0.429 1.00 32.41 C ATOM 936 CE1 HIS A 146 1.679 -34.378 -0.900 1.00 40.02 C ATOM 937 NE2 HIS A 146 2.946 -34.041 -0.746 1.00 53.34 N ATOM 0 H HIS A 146 -0.922 -33.410 2.515 1.00 33.21 H new ATOM 0 HA HIS A 146 0.279 -30.885 2.827 1.00 1.43 H new ATOM 0 HB2 HIS A 146 2.233 -32.069 2.702 1.00 72.35 H new ATOM 0 HB3 HIS A 146 1.142 -33.410 2.986 1.00 72.35 H new ATOM 0 HD2 HIS A 146 3.999 -32.936 0.828 1.00 32.41 H new ATOM 0 HE1 HIS A 146 1.269 -34.932 -1.732 1.00 40.02 H new ATOM 0 HE2 HIS A 146 3.701 -34.262 -1.395 1.00 53.34 H new ATOM 945 N LEU A 147 -0.687 -31.556 -0.153 1.00 3.03 N ATOM 946 CA LEU A 147 -0.780 -31.061 -1.521 1.00 14.44 C ATOM 947 C LEU A 147 -1.279 -29.620 -1.547 1.00 54.12 C ATOM 948 O LEU A 147 -1.022 -28.881 -2.497 1.00 62.14 O ATOM 949 CB LEU A 147 -1.714 -31.950 -2.344 1.00 15.31 C ATOM 950 CG LEU A 147 -1.176 -33.335 -2.705 1.00 63.33 C ATOM 951 CD1 LEU A 147 -2.186 -34.097 -3.549 1.00 5.30 C ATOM 952 CD2 LEU A 147 0.152 -33.217 -3.438 1.00 24.23 C ATOM 0 H LEU A 147 -1.368 -32.278 0.081 1.00 3.03 H new ATOM 0 HA LEU A 147 0.218 -31.089 -1.959 1.00 14.44 H new ATOM 0 HB2 LEU A 147 -2.644 -32.077 -1.790 1.00 15.31 H new ATOM 0 HB3 LEU A 147 -1.962 -31.426 -3.267 1.00 15.31 H new ATOM 0 HG LEU A 147 -1.011 -33.891 -1.782 1.00 63.33 H new ATOM 0 HD11 LEU A 147 -1.786 -35.080 -3.796 1.00 5.30 H new ATOM 0 HD12 LEU A 147 -3.114 -34.213 -2.989 1.00 5.30 H new ATOM 0 HD13 LEU A 147 -2.383 -33.544 -4.468 1.00 5.30 H new ATOM 0 HD21 LEU A 147 0.520 -34.212 -3.687 1.00 24.23 H new ATOM 0 HD22 LEU A 147 0.012 -32.642 -4.354 1.00 24.23 H new ATOM 0 HD23 LEU A 147 0.876 -32.712 -2.799 1.00 24.23 H new ATOM 964 N GLU A 148 -1.992 -29.227 -0.495 1.00 71.13 N ATOM 965 CA GLU A 148 -2.526 -27.874 -0.397 1.00 1.45 C ATOM 966 C GLU A 148 -1.954 -27.151 0.820 1.00 64.53 C ATOM 967 O GLU A 148 -2.066 -27.628 1.948 1.00 52.44 O ATOM 968 CB GLU A 148 -4.052 -27.909 -0.312 1.00 74.44 C ATOM 969 CG GLU A 148 -4.697 -28.840 -1.325 1.00 61.21 C ATOM 970 CD GLU A 148 -5.281 -30.085 -0.683 1.00 71.04 C ATOM 971 OE1 GLU A 148 -5.820 -29.978 0.438 1.00 61.21 O1- ATOM 972 OE2 GLU A 148 -5.199 -31.165 -1.303 1.00 15.42 O ATOM 0 H GLU A 148 -2.213 -29.826 0.300 1.00 71.13 H new ATOM 0 HA GLU A 148 -2.232 -27.329 -1.294 1.00 1.45 H new ATOM 0 HB2 GLU A 148 -4.345 -28.219 0.691 1.00 74.44 H new ATOM 0 HB3 GLU A 148 -4.439 -26.901 -0.460 1.00 74.44 H new ATOM 0 HG2 GLU A 148 -5.485 -28.305 -1.855 1.00 61.21 H new ATOM 0 HG3 GLU A 148 -3.955 -29.133 -2.068 1.00 61.21 H new ATOM 979 N GLY A 149 -1.341 -25.995 0.580 1.00 54.43 N ATOM 980 CA GLY A 149 -0.761 -25.224 1.665 1.00 25.32 C ATOM 981 C GLY A 149 0.681 -25.603 1.938 1.00 34.35 C ATOM 982 O GLY A 149 1.173 -25.439 3.054 1.00 65.23 O ATOM 0 H GLY A 149 -1.236 -25.579 -0.345 1.00 54.43 H new ATOM 0 HA2 GLY A 149 -0.815 -24.163 1.422 1.00 25.32 H new ATOM 0 HA3 GLY A 149 -1.351 -25.374 2.569 1.00 25.32 H new ATOM 986 N LYS A 150 1.361 -26.113 0.916 1.00 70.04 N ATOM 987 CA LYS A 150 2.755 -26.517 1.050 1.00 31.31 C ATOM 988 C LYS A 150 3.685 -25.318 0.898 1.00 54.12 C ATOM 989 O LYS A 150 3.594 -24.569 -0.073 1.00 22.52 O ATOM 990 CB LYS A 150 3.102 -27.580 0.005 1.00 50.15 C ATOM 991 CG LYS A 150 4.570 -27.973 0.001 1.00 10.22 C ATOM 992 CD LYS A 150 5.270 -27.495 -1.260 1.00 65.53 C ATOM 993 CE LYS A 150 4.907 -28.355 -2.460 1.00 15.14 C ATOM 994 NZ LYS A 150 6.056 -29.183 -2.919 1.00 42.30 N1+ ATOM 0 H LYS A 150 0.968 -26.256 -0.014 1.00 70.04 H new ATOM 0 HA LYS A 150 2.892 -26.937 2.046 1.00 31.31 H new ATOM 0 HB2 LYS A 150 2.497 -28.468 0.188 1.00 50.15 H new ATOM 0 HB3 LYS A 150 2.831 -27.208 -0.983 1.00 50.15 H new ATOM 0 HG2 LYS A 150 5.064 -27.549 0.876 1.00 10.22 H new ATOM 0 HG3 LYS A 150 4.658 -29.057 0.079 1.00 10.22 H new ATOM 0 HD2 LYS A 150 4.997 -26.459 -1.458 1.00 65.53 H new ATOM 0 HD3 LYS A 150 6.349 -27.517 -1.109 1.00 65.53 H new ATOM 0 HE2 LYS A 150 4.072 -29.006 -2.201 1.00 15.14 H new ATOM 0 HE3 LYS A 150 4.572 -27.716 -3.276 1.00 15.14 H new ATOM 0 HZ1 LYS A 150 5.733 -29.851 -3.648 1.00 42.30 H new ATOM 0 HZ2 LYS A 150 6.792 -28.565 -3.317 1.00 42.30 H new ATOM 0 HZ3 LYS A 150 6.447 -29.712 -2.113 1.00 42.30 H new ATOM 1008 N GLU A 151 4.582 -25.144 1.865 1.00 41.22 N ATOM 1009 CA GLU A 151 5.529 -24.037 1.838 1.00 55.31 C ATOM 1010 C GLU A 151 6.925 -24.523 1.460 1.00 33.43 C ATOM 1011 O GLU A 151 7.595 -25.194 2.246 1.00 74.30 O ATOM 1012 CB GLU A 151 5.571 -23.339 3.199 1.00 5.22 C ATOM 1013 CG GLU A 151 5.674 -24.299 4.372 1.00 51.44 C ATOM 1014 CD GLU A 151 5.721 -23.584 5.709 1.00 14.32 C ATOM 1015 OE1 GLU A 151 5.447 -22.366 5.738 1.00 24.15 O ATOM 1016 OE2 GLU A 151 6.031 -24.242 6.724 1.00 1.24 O1- ATOM 0 H GLU A 151 4.672 -25.756 2.676 1.00 41.22 H new ATOM 0 HA GLU A 151 5.195 -23.326 1.083 1.00 55.31 H new ATOM 0 HB2 GLU A 151 6.421 -22.657 3.222 1.00 5.22 H new ATOM 0 HB3 GLU A 151 4.673 -22.732 3.315 1.00 5.22 H new ATOM 0 HG2 GLU A 151 4.821 -24.978 4.357 1.00 51.44 H new ATOM 0 HG3 GLU A 151 6.570 -24.910 4.259 1.00 51.44 H new ATOM 1023 N LEU A 152 7.358 -24.181 0.251 1.00 4.40 N ATOM 1024 CA LEU A 152 8.673 -24.583 -0.233 1.00 14.53 C ATOM 1025 C LEU A 152 9.346 -23.443 -0.992 1.00 1.52 C ATOM 1026 O LEU A 152 8.783 -22.357 -1.126 1.00 22.54 O ATOM 1027 CB LEU A 152 8.553 -25.812 -1.136 1.00 72.43 C ATOM 1028 CG LEU A 152 9.069 -27.127 -0.552 1.00 52.41 C ATOM 1029 CD1 LEU A 152 8.244 -27.533 0.660 1.00 52.35 C ATOM 1030 CD2 LEU A 152 9.047 -28.224 -1.606 1.00 3.13 C ATOM 0 H LEU A 152 6.817 -23.626 -0.412 1.00 4.40 H new ATOM 0 HA LEU A 152 9.289 -24.834 0.630 1.00 14.53 H new ATOM 0 HB2 LEU A 152 7.504 -25.942 -1.401 1.00 72.43 H new ATOM 0 HB3 LEU A 152 9.093 -25.612 -2.062 1.00 72.43 H new ATOM 0 HG LEU A 152 10.100 -26.980 -0.231 1.00 52.41 H new ATOM 0 HD11 LEU A 152 8.626 -28.471 1.062 1.00 52.35 H new ATOM 0 HD12 LEU A 152 8.311 -26.757 1.423 1.00 52.35 H new ATOM 0 HD13 LEU A 152 7.203 -27.662 0.365 1.00 52.35 H new ATOM 0 HD21 LEU A 152 9.418 -29.153 -1.172 1.00 3.13 H new ATOM 0 HD22 LEU A 152 8.026 -28.370 -1.958 1.00 3.13 H new ATOM 0 HD23 LEU A 152 9.682 -27.936 -2.444 1.00 3.13 H new ATOM 1042 N GLU A 153 10.552 -23.701 -1.490 1.00 64.45 N ATOM 1043 CA GLU A 153 11.299 -22.697 -2.236 1.00 72.24 C ATOM 1044 C GLU A 153 11.473 -23.119 -3.693 1.00 52.22 C ATOM 1045 O GLU A 153 11.517 -24.309 -4.004 1.00 74.32 O ATOM 1046 CB GLU A 153 12.669 -22.465 -1.594 1.00 65.41 C ATOM 1047 CG GLU A 153 13.386 -23.750 -1.212 1.00 32.34 C ATOM 1048 CD GLU A 153 12.969 -24.267 0.151 1.00 54.31 C ATOM 1049 OE1 GLU A 153 13.412 -23.689 1.166 1.00 12.13 O1- ATOM 1050 OE2 GLU A 153 12.200 -25.250 0.203 1.00 31.43 O ATOM 0 H GLU A 153 11.031 -24.596 -1.390 1.00 64.45 H new ATOM 0 HA GLU A 153 10.732 -21.767 -2.210 1.00 72.24 H new ATOM 0 HB2 GLU A 153 13.295 -21.901 -2.286 1.00 65.41 H new ATOM 0 HB3 GLU A 153 12.544 -21.849 -0.703 1.00 65.41 H new ATOM 0 HG2 GLU A 153 13.182 -24.513 -1.964 1.00 32.34 H new ATOM 0 HG3 GLU A 153 14.462 -23.577 -1.217 1.00 32.34 H new ATOM 1057 N PHE A 154 11.570 -22.135 -4.581 1.00 71.32 N ATOM 1058 CA PHE A 154 11.737 -22.404 -6.004 1.00 73.31 C ATOM 1059 C PHE A 154 12.966 -21.685 -6.553 1.00 21.25 C ATOM 1060 O PHE A 154 13.544 -20.825 -5.889 1.00 32.42 O ATOM 1061 CB PHE A 154 10.490 -21.968 -6.777 1.00 71.02 C ATOM 1062 CG PHE A 154 9.206 -22.445 -6.162 1.00 21.14 C ATOM 1063 CD1 PHE A 154 8.601 -21.726 -5.143 1.00 72.32 C ATOM 1064 CD2 PHE A 154 8.604 -23.612 -6.601 1.00 33.11 C ATOM 1065 CE1 PHE A 154 7.420 -22.164 -4.575 1.00 33.30 C ATOM 1066 CE2 PHE A 154 7.423 -24.056 -6.037 1.00 3.41 C ATOM 1067 CZ PHE A 154 6.829 -23.329 -5.023 1.00 31.11 C ATOM 0 H PHE A 154 11.536 -21.144 -4.340 1.00 71.32 H new ATOM 0 HA PHE A 154 11.878 -23.477 -6.131 1.00 73.31 H new ATOM 0 HB2 PHE A 154 10.472 -20.880 -6.838 1.00 71.02 H new ATOM 0 HB3 PHE A 154 10.556 -22.343 -7.798 1.00 71.02 H new ATOM 0 HD1 PHE A 154 9.058 -20.814 -4.789 1.00 72.32 H new ATOM 0 HD2 PHE A 154 9.063 -24.183 -7.395 1.00 33.11 H new ATOM 0 HE1 PHE A 154 6.959 -21.595 -3.781 1.00 33.30 H new ATOM 0 HE2 PHE A 154 6.965 -24.969 -6.388 1.00 3.41 H new ATOM 0 HZ PHE A 154 5.905 -23.671 -4.582 1.00 31.11 H new ATOM 1077 N LYS A 155 13.361 -22.046 -7.769 1.00 14.10 N ATOM 1078 CA LYS A 155 14.521 -21.437 -8.409 1.00 52.02 C ATOM 1079 C LYS A 155 14.124 -20.749 -9.712 1.00 34.24 C ATOM 1080 O LYS A 155 13.560 -21.375 -10.609 1.00 74.34 O ATOM 1081 CB LYS A 155 15.592 -22.495 -8.684 1.00 22.41 C ATOM 1082 CG LYS A 155 16.739 -21.991 -9.542 1.00 33.03 C ATOM 1083 CD LYS A 155 17.397 -20.766 -8.930 1.00 61.52 C ATOM 1084 CE LYS A 155 17.985 -21.074 -7.562 1.00 44.24 C ATOM 1085 NZ LYS A 155 18.582 -19.866 -6.929 1.00 21.03 N1+ ATOM 0 H LYS A 155 12.895 -22.758 -8.331 1.00 14.10 H new ATOM 0 HA LYS A 155 14.927 -20.686 -7.731 1.00 52.02 H new ATOM 0 HB2 LYS A 155 15.990 -22.853 -7.734 1.00 22.41 H new ATOM 0 HB3 LYS A 155 15.129 -23.349 -9.177 1.00 22.41 H new ATOM 0 HG2 LYS A 155 17.480 -22.782 -9.661 1.00 33.03 H new ATOM 0 HG3 LYS A 155 16.370 -21.747 -10.538 1.00 33.03 H new ATOM 0 HD2 LYS A 155 18.184 -20.405 -9.592 1.00 61.52 H new ATOM 0 HD3 LYS A 155 16.664 -19.965 -8.840 1.00 61.52 H new ATOM 0 HE2 LYS A 155 17.206 -21.476 -6.914 1.00 44.24 H new ATOM 0 HE3 LYS A 155 18.748 -21.847 -7.660 1.00 44.24 H new ATOM 0 HZ1 LYS A 155 18.941 -20.111 -5.984 1.00 21.03 H new ATOM 0 HZ2 LYS A 155 19.365 -19.517 -7.518 1.00 21.03 H new ATOM 0 HZ3 LYS A 155 17.857 -19.125 -6.842 1.00 21.03 H new ATOM 1099 N VAL A 156 14.424 -19.457 -9.810 1.00 14.23 N ATOM 1100 CA VAL A 156 14.102 -18.686 -11.003 1.00 74.32 C ATOM 1101 C VAL A 156 14.931 -19.146 -12.196 1.00 51.23 C ATOM 1102 O VAL A 156 16.158 -19.041 -12.190 1.00 60.42 O ATOM 1103 CB VAL A 156 14.337 -17.181 -10.780 1.00 20.45 C ATOM 1104 CG1 VAL A 156 14.025 -16.396 -12.045 1.00 14.03 C ATOM 1105 CG2 VAL A 156 13.500 -16.678 -9.612 1.00 31.34 C ATOM 0 H VAL A 156 14.890 -18.923 -9.076 1.00 14.23 H new ATOM 0 HA VAL A 156 13.045 -18.855 -11.211 1.00 74.32 H new ATOM 0 HB VAL A 156 15.389 -17.029 -10.537 1.00 20.45 H new ATOM 0 HG11 VAL A 156 14.197 -15.335 -11.866 1.00 14.03 H new ATOM 0 HG12 VAL A 156 14.671 -16.738 -12.854 1.00 14.03 H new ATOM 0 HG13 VAL A 156 12.983 -16.553 -12.323 1.00 14.03 H new ATOM 0 HG21 VAL A 156 13.679 -15.612 -9.469 1.00 31.34 H new ATOM 0 HG22 VAL A 156 12.444 -16.844 -9.823 1.00 31.34 H new ATOM 0 HG23 VAL A 156 13.778 -17.217 -8.706 1.00 31.34 H new ATOM 1115 N ILE A 157 14.254 -19.657 -13.219 1.00 64.23 N ATOM 1116 CA ILE A 157 14.929 -20.133 -14.421 1.00 1.32 C ATOM 1117 C ILE A 157 14.446 -19.381 -15.657 1.00 51.51 C ATOM 1118 O ILE A 157 15.211 -19.148 -16.594 1.00 50.24 O ATOM 1119 CB ILE A 157 14.705 -21.642 -14.632 1.00 71.04 C ATOM 1120 CG1 ILE A 157 15.492 -22.131 -15.850 1.00 51.24 C ATOM 1121 CG2 ILE A 157 13.223 -21.940 -14.797 1.00 54.14 C ATOM 1122 CD1 ILE A 157 16.987 -21.940 -15.720 1.00 30.43 C ATOM 0 H ILE A 157 13.239 -19.752 -13.240 1.00 64.23 H new ATOM 0 HA ILE A 157 15.994 -19.948 -14.279 1.00 1.32 H new ATOM 0 HB ILE A 157 15.066 -22.174 -13.752 1.00 71.04 H new ATOM 0 HG12 ILE A 157 15.281 -23.189 -16.008 1.00 51.24 H new ATOM 0 HG13 ILE A 157 15.142 -21.601 -16.736 1.00 51.24 H new ATOM 0 HG21 ILE A 157 13.081 -23.011 -14.945 1.00 54.14 H new ATOM 0 HG22 ILE A 157 12.686 -21.623 -13.903 1.00 54.14 H new ATOM 0 HG23 ILE A 157 12.837 -21.400 -15.662 1.00 54.14 H new ATOM 0 HD11 ILE A 157 17.480 -22.309 -16.619 1.00 30.43 H new ATOM 0 HD12 ILE A 157 17.209 -20.880 -15.593 1.00 30.43 H new ATOM 0 HD13 ILE A 157 17.351 -22.493 -14.854 1.00 30.43 H new ATOM 1134 N LYS A 158 13.173 -19.001 -15.651 1.00 11.20 N ATOM 1135 CA LYS A 158 12.587 -18.272 -16.770 1.00 74.04 C ATOM 1136 C LYS A 158 11.189 -17.771 -16.420 1.00 3.31 C ATOM 1137 O LYS A 158 10.294 -18.560 -16.117 1.00 5.10 O ATOM 1138 CB LYS A 158 12.524 -19.165 -18.011 1.00 24.24 C ATOM 1139 CG LYS A 158 12.362 -18.393 -19.308 1.00 25.34 C ATOM 1140 CD LYS A 158 12.585 -19.283 -20.519 1.00 75.32 C ATOM 1141 CE LYS A 158 14.062 -19.386 -20.870 1.00 1.33 C ATOM 1142 NZ LYS A 158 14.610 -18.085 -21.348 1.00 35.23 N1+ ATOM 0 H LYS A 158 12.527 -19.186 -14.884 1.00 11.20 H new ATOM 0 HA LYS A 158 13.221 -17.411 -16.982 1.00 74.04 H new ATOM 0 HB2 LYS A 158 13.434 -19.763 -18.065 1.00 24.24 H new ATOM 0 HB3 LYS A 158 11.692 -19.861 -17.906 1.00 24.24 H new ATOM 0 HG2 LYS A 158 11.362 -17.961 -19.352 1.00 25.34 H new ATOM 0 HG3 LYS A 158 13.069 -17.564 -19.330 1.00 25.34 H new ATOM 0 HD2 LYS A 158 12.187 -20.278 -20.319 1.00 75.32 H new ATOM 0 HD3 LYS A 158 12.034 -18.885 -21.371 1.00 75.32 H new ATOM 0 HE2 LYS A 158 14.621 -19.716 -19.995 1.00 1.33 H new ATOM 0 HE3 LYS A 158 14.200 -20.144 -21.641 1.00 1.33 H new ATOM 0 HZ1 LYS A 158 15.456 -18.257 -21.928 1.00 35.23 H new ATOM 0 HZ2 LYS A 158 13.892 -17.595 -21.920 1.00 35.23 H new ATOM 0 HZ3 LYS A 158 14.864 -17.494 -20.531 1.00 35.23 H new ATOM 1156 N LEU A 159 11.009 -16.456 -16.466 1.00 22.41 N ATOM 1157 CA LEU A 159 9.719 -15.849 -16.155 1.00 43.12 C ATOM 1158 C LEU A 159 9.248 -14.957 -17.299 1.00 63.43 C ATOM 1159 O LEU A 159 10.037 -14.225 -17.895 1.00 65.04 O ATOM 1160 CB LEU A 159 9.814 -15.035 -14.864 1.00 4.42 C ATOM 1161 CG LEU A 159 10.564 -13.706 -14.963 1.00 11.11 C ATOM 1162 CD1 LEU A 159 10.256 -12.828 -13.759 1.00 0.52 C ATOM 1163 CD2 LEU A 159 12.062 -13.946 -15.080 1.00 43.35 C ATOM 0 H LEU A 159 11.740 -15.789 -16.716 1.00 22.41 H new ATOM 0 HA LEU A 159 8.992 -16.649 -16.019 1.00 43.12 H new ATOM 0 HB2 LEU A 159 8.803 -14.833 -14.510 1.00 4.42 H new ATOM 0 HB3 LEU A 159 10.301 -15.649 -14.106 1.00 4.42 H new ATOM 0 HG LEU A 159 10.228 -13.188 -15.861 1.00 11.11 H new ATOM 0 HD11 LEU A 159 10.798 -11.887 -13.847 1.00 0.52 H new ATOM 0 HD12 LEU A 159 9.185 -12.627 -13.719 1.00 0.52 H new ATOM 0 HD13 LEU A 159 10.563 -13.340 -12.847 1.00 0.52 H new ATOM 0 HD21 LEU A 159 12.579 -12.989 -15.149 1.00 43.35 H new ATOM 0 HD22 LEU A 159 12.414 -14.486 -14.201 1.00 43.35 H new ATOM 0 HD23 LEU A 159 12.267 -14.535 -15.974 1.00 43.35 H new ATOM 1175 N ASP A 160 7.954 -15.023 -17.599 1.00 63.41 N ATOM 1176 CA ASP A 160 7.376 -14.218 -18.669 1.00 74.52 C ATOM 1177 C ASP A 160 6.314 -13.271 -18.124 1.00 55.45 C ATOM 1178 O ASP A 160 5.133 -13.613 -18.071 1.00 12.23 O ATOM 1179 CB ASP A 160 6.769 -15.122 -19.744 1.00 1.44 C ATOM 1180 CG ASP A 160 7.824 -15.872 -20.534 1.00 35.14 C ATOM 1181 OD1 ASP A 160 8.501 -16.740 -19.945 1.00 20.24 O ATOM 1182 OD2 ASP A 160 7.972 -15.591 -21.741 1.00 74.23 O1- ATOM 0 H ASP A 160 7.287 -15.625 -17.116 1.00 63.41 H new ATOM 0 HA ASP A 160 8.173 -13.622 -19.113 1.00 74.52 H new ATOM 0 HB2 ASP A 160 6.094 -15.838 -19.274 1.00 1.44 H new ATOM 0 HB3 ASP A 160 6.169 -14.519 -20.426 1.00 1.44 H new ATOM 1187 N GLN A 161 6.741 -12.080 -17.717 1.00 71.33 N ATOM 1188 CA GLN A 161 5.826 -11.084 -17.174 1.00 43.43 C ATOM 1189 C GLN A 161 4.878 -10.570 -18.252 1.00 43.02 C ATOM 1190 O GLN A 161 3.818 -10.020 -17.952 1.00 33.42 O ATOM 1191 CB GLN A 161 6.609 -9.918 -16.568 1.00 3.00 C ATOM 1192 CG GLN A 161 5.825 -9.135 -15.527 1.00 42.43 C ATOM 1193 CD GLN A 161 6.305 -7.704 -15.390 1.00 42.32 C ATOM 1194 OE1 GLN A 161 7.419 -7.452 -14.930 1.00 31.54 O ATOM 1195 NE2 GLN A 161 5.465 -6.756 -15.790 1.00 21.10 N ATOM 0 H GLN A 161 7.716 -11.782 -17.753 1.00 71.33 H new ATOM 0 HA GLN A 161 5.234 -11.560 -16.392 1.00 43.43 H new ATOM 0 HB2 GLN A 161 7.521 -10.302 -16.111 1.00 3.00 H new ATOM 0 HB3 GLN A 161 6.913 -9.241 -17.367 1.00 3.00 H new ATOM 0 HG2 GLN A 161 4.769 -9.136 -15.797 1.00 42.43 H new ATOM 0 HG3 GLN A 161 5.908 -9.636 -14.563 1.00 42.43 H new ATOM 0 HE21 GLN A 161 4.551 -7.010 -16.165 1.00 21.10 H new ATOM 0 HE22 GLN A 161 5.734 -5.774 -15.722 1.00 21.10 H new ATOM 1204 N LYS A 162 5.266 -10.752 -19.510 1.00 74.31 N ATOM 1205 CA LYS A 162 4.452 -10.307 -20.635 1.00 0.03 C ATOM 1206 C LYS A 162 3.046 -10.895 -20.554 1.00 53.11 C ATOM 1207 O LYS A 162 2.065 -10.228 -20.883 1.00 52.53 O ATOM 1208 CB LYS A 162 5.108 -10.708 -21.958 1.00 22.24 C ATOM 1209 CG LYS A 162 4.707 -9.828 -23.128 1.00 53.23 C ATOM 1210 CD LYS A 162 3.452 -10.346 -23.810 1.00 14.41 C ATOM 1211 CE LYS A 162 3.772 -11.459 -24.796 1.00 61.10 C ATOM 1212 NZ LYS A 162 2.652 -11.696 -25.748 1.00 71.30 N1+ ATOM 0 H LYS A 162 6.140 -11.205 -19.776 1.00 74.31 H new ATOM 0 HA LYS A 162 4.377 -9.221 -20.589 1.00 0.03 H new ATOM 0 HB2 LYS A 162 6.191 -10.672 -21.842 1.00 22.24 H new ATOM 0 HB3 LYS A 162 4.846 -11.741 -22.185 1.00 22.24 H new ATOM 0 HG2 LYS A 162 4.538 -8.810 -22.778 1.00 53.23 H new ATOM 0 HG3 LYS A 162 5.523 -9.786 -23.849 1.00 53.23 H new ATOM 0 HD2 LYS A 162 2.754 -10.714 -23.058 1.00 14.41 H new ATOM 0 HD3 LYS A 162 2.956 -9.528 -24.332 1.00 14.41 H new ATOM 0 HE2 LYS A 162 4.674 -11.203 -25.353 1.00 61.10 H new ATOM 0 HE3 LYS A 162 3.985 -12.378 -24.250 1.00 61.10 H new ATOM 0 HZ1 LYS A 162 2.909 -12.462 -26.403 1.00 71.30 H new ATOM 0 HZ2 LYS A 162 1.798 -11.965 -25.219 1.00 71.30 H new ATOM 0 HZ3 LYS A 162 2.465 -10.827 -26.288 1.00 71.30 H new ATOM 1226 N ARG A 163 2.957 -12.145 -20.113 1.00 24.25 N ATOM 1227 CA ARG A 163 1.672 -12.822 -19.989 1.00 62.53 C ATOM 1228 C ARG A 163 1.107 -12.661 -18.582 1.00 54.45 C ATOM 1229 O ARG A 163 0.200 -13.389 -18.179 1.00 65.14 O ATOM 1230 CB ARG A 163 1.819 -14.307 -20.326 1.00 3.31 C ATOM 1231 CG ARG A 163 0.510 -14.977 -20.710 1.00 22.22 C ATOM 1232 CD ARG A 163 0.252 -14.879 -22.205 1.00 13.20 C ATOM 1233 NE ARG A 163 -1.159 -15.071 -22.531 1.00 12.45 N ATOM 1234 CZ ARG A 163 -1.742 -16.262 -22.602 1.00 22.53 C ATOM 1235 NH1 ARG A 163 -1.040 -17.363 -22.373 1.00 24.04 N1+ ATOM 1236 NH2 ARG A 163 -3.030 -16.354 -22.905 1.00 20.22 N ATOM 0 H ARG A 163 3.760 -12.710 -19.835 1.00 24.25 H new ATOM 0 HA ARG A 163 0.978 -12.364 -20.694 1.00 62.53 H new ATOM 0 HB2 ARG A 163 2.528 -14.416 -21.147 1.00 3.31 H new ATOM 0 HB3 ARG A 163 2.244 -14.825 -19.467 1.00 3.31 H new ATOM 0 HG2 ARG A 163 0.535 -16.025 -20.412 1.00 22.22 H new ATOM 0 HG3 ARG A 163 -0.312 -14.511 -20.166 1.00 22.22 H new ATOM 0 HD2 ARG A 163 0.578 -13.903 -22.566 1.00 13.20 H new ATOM 0 HD3 ARG A 163 0.849 -15.627 -22.726 1.00 13.20 H new ATOM 0 HE ARG A 163 -1.728 -14.244 -22.714 1.00 12.45 H new ATOM 0 HH11 ARG A 163 -0.049 -17.297 -22.141 1.00 24.04 H new ATOM 0 HH12 ARG A 163 -1.491 -18.276 -22.428 1.00 24.04 H new ATOM 0 HH21 ARG A 163 -3.573 -15.510 -23.084 1.00 20.22 H new ATOM 0 HH22 ARG A 163 -3.477 -17.269 -22.959 1.00 20.22 H new ATOM 1250 N ASN A 164 1.649 -11.703 -17.837 1.00 34.44 N ATOM 1251 CA ASN A 164 1.199 -11.448 -16.474 1.00 31.41 C ATOM 1252 C ASN A 164 1.197 -12.733 -15.651 1.00 13.15 C ATOM 1253 O ASN A 164 0.395 -12.893 -14.732 1.00 31.11 O ATOM 1254 CB ASN A 164 -0.201 -10.833 -16.483 1.00 35.43 C ATOM 1255 CG ASN A 164 -0.348 -9.744 -17.528 1.00 23.04 C ATOM 1256 OD1 ASN A 164 -1.317 -9.723 -18.287 1.00 72.53 O ATOM 1257 ND2 ASN A 164 0.617 -8.833 -17.572 1.00 42.42 N ATOM 0 H ASN A 164 2.400 -11.091 -18.155 1.00 34.44 H new ATOM 0 HA ASN A 164 1.894 -10.745 -16.015 1.00 31.41 H new ATOM 0 HB2 ASN A 164 -0.937 -11.615 -16.671 1.00 35.43 H new ATOM 0 HB3 ASN A 164 -0.420 -10.420 -15.498 1.00 35.43 H new ATOM 0 HD21 ASN A 164 0.573 -8.076 -18.255 1.00 42.42 H new ATOM 0 HD22 ASN A 164 1.402 -8.890 -16.923 1.00 42.42 H new ATOM 1264 N ASN A 165 2.102 -13.646 -15.989 1.00 24.24 N ATOM 1265 CA ASN A 165 2.204 -14.918 -15.282 1.00 24.21 C ATOM 1266 C ASN A 165 3.662 -15.351 -15.150 1.00 75.13 C ATOM 1267 O ASN A 165 4.540 -14.832 -15.839 1.00 12.32 O ATOM 1268 CB ASN A 165 1.405 -15.998 -16.014 1.00 52.22 C ATOM 1269 CG ASN A 165 1.203 -17.241 -15.168 1.00 64.44 C ATOM 1270 OD1 ASN A 165 0.395 -17.248 -14.240 1.00 33.43 O ATOM 1271 ND2 ASN A 165 1.939 -18.299 -15.487 1.00 51.05 N ATOM 0 H ASN A 165 2.774 -13.529 -16.747 1.00 24.24 H new ATOM 0 HA ASN A 165 1.790 -14.784 -14.283 1.00 24.21 H new ATOM 0 HB2 ASN A 165 0.434 -15.596 -16.301 1.00 52.22 H new ATOM 0 HB3 ASN A 165 1.923 -16.268 -16.934 1.00 52.22 H new ATOM 0 HD21 ASN A 165 1.847 -19.164 -14.954 1.00 51.05 H new ATOM 0 HD22 ASN A 165 2.596 -18.247 -16.265 1.00 51.05 H new ATOM 1278 N VAL A 166 3.911 -16.305 -14.259 1.00 14.54 N ATOM 1279 CA VAL A 166 5.261 -16.809 -14.036 1.00 71.02 C ATOM 1280 C VAL A 166 5.249 -18.308 -13.757 1.00 3.03 C ATOM 1281 O VAL A 166 4.329 -18.825 -13.123 1.00 35.01 O ATOM 1282 CB VAL A 166 5.944 -16.085 -12.861 1.00 45.01 C ATOM 1283 CG1 VAL A 166 7.414 -16.467 -12.781 1.00 21.30 C ATOM 1284 CG2 VAL A 166 5.783 -14.578 -12.999 1.00 20.03 C ATOM 0 H VAL A 166 3.196 -16.745 -13.680 1.00 14.54 H new ATOM 0 HA VAL A 166 5.825 -16.616 -14.949 1.00 71.02 H new ATOM 0 HB VAL A 166 5.461 -16.396 -11.934 1.00 45.01 H new ATOM 0 HG11 VAL A 166 7.880 -15.946 -11.945 1.00 21.30 H new ATOM 0 HG12 VAL A 166 7.503 -17.543 -12.633 1.00 21.30 H new ATOM 0 HG13 VAL A 166 7.914 -16.186 -13.708 1.00 21.30 H new ATOM 0 HG21 VAL A 166 6.271 -14.082 -12.160 1.00 20.03 H new ATOM 0 HG22 VAL A 166 6.239 -14.247 -13.932 1.00 20.03 H new ATOM 0 HG23 VAL A 166 4.723 -14.324 -13.003 1.00 20.03 H new ATOM 1294 N VAL A 167 6.277 -19.002 -14.235 1.00 13.11 N ATOM 1295 CA VAL A 167 6.386 -20.442 -14.035 1.00 13.14 C ATOM 1296 C VAL A 167 7.753 -20.817 -13.474 1.00 22.44 C ATOM 1297 O VAL A 167 8.743 -20.123 -13.705 1.00 43.21 O ATOM 1298 CB VAL A 167 6.155 -21.210 -15.350 1.00 34.31 C ATOM 1299 CG1 VAL A 167 7.231 -20.861 -16.368 1.00 72.33 C ATOM 1300 CG2 VAL A 167 6.119 -22.709 -15.093 1.00 20.40 C ATOM 0 H VAL A 167 7.046 -18.590 -14.763 1.00 13.11 H new ATOM 0 HA VAL A 167 5.613 -20.722 -13.319 1.00 13.14 H new ATOM 0 HB VAL A 167 5.190 -20.912 -15.760 1.00 34.31 H new ATOM 0 HG11 VAL A 167 7.052 -21.413 -17.291 1.00 72.33 H new ATOM 0 HG12 VAL A 167 7.204 -19.791 -16.574 1.00 72.33 H new ATOM 0 HG13 VAL A 167 8.210 -21.129 -15.969 1.00 72.33 H new ATOM 0 HG21 VAL A 167 5.955 -23.236 -16.033 1.00 20.40 H new ATOM 0 HG22 VAL A 167 7.067 -23.027 -14.660 1.00 20.40 H new ATOM 0 HG23 VAL A 167 5.309 -22.940 -14.402 1.00 20.40 H new ATOM 1310 N VAL A 168 7.801 -21.921 -12.736 1.00 51.55 N ATOM 1311 CA VAL A 168 9.047 -22.391 -12.142 1.00 64.01 C ATOM 1312 C VAL A 168 9.410 -23.780 -12.654 1.00 10.40 C ATOM 1313 O VAL A 168 8.535 -24.607 -12.911 1.00 41.54 O ATOM 1314 CB VAL A 168 8.956 -22.429 -10.605 1.00 22.31 C ATOM 1315 CG1 VAL A 168 8.825 -21.022 -10.043 1.00 30.42 C ATOM 1316 CG2 VAL A 168 7.790 -23.301 -10.162 1.00 74.30 C ATOM 0 H VAL A 168 6.991 -22.507 -12.535 1.00 51.55 H new ATOM 0 HA VAL A 168 9.824 -21.685 -12.435 1.00 64.01 H new ATOM 0 HB VAL A 168 9.875 -22.866 -10.214 1.00 22.31 H new ATOM 0 HG11 VAL A 168 8.762 -21.069 -8.956 1.00 30.42 H new ATOM 0 HG12 VAL A 168 9.696 -20.433 -10.331 1.00 30.42 H new ATOM 0 HG13 VAL A 168 7.923 -20.555 -10.439 1.00 30.42 H new ATOM 0 HG21 VAL A 168 7.740 -23.317 -9.073 1.00 74.30 H new ATOM 0 HG22 VAL A 168 6.860 -22.896 -10.562 1.00 74.30 H new ATOM 0 HG23 VAL A 168 7.933 -24.316 -10.533 1.00 74.30 H new ATOM 1326 N SER A 169 10.707 -24.031 -12.799 1.00 61.10 N ATOM 1327 CA SER A 169 11.187 -25.320 -13.284 1.00 42.35 C ATOM 1328 C SER A 169 10.966 -26.409 -12.238 1.00 41.01 C ATOM 1329 O SER A 169 10.800 -26.123 -11.052 1.00 55.21 O ATOM 1330 CB SER A 169 12.673 -25.233 -13.640 1.00 11.22 C ATOM 1331 OG SER A 169 13.349 -26.432 -13.303 1.00 62.55 O ATOM 0 H SER A 169 11.444 -23.359 -12.588 1.00 61.10 H new ATOM 0 HA SER A 169 10.621 -25.579 -14.179 1.00 42.35 H new ATOM 0 HB2 SER A 169 12.784 -25.037 -14.706 1.00 11.22 H new ATOM 0 HB3 SER A 169 13.128 -24.395 -13.113 1.00 11.22 H new ATOM 0 HG SER A 169 14.252 -26.416 -13.683 1.00 62.55 H new ATOM 1337 N ARG A 170 10.966 -27.660 -12.688 1.00 13.32 N ATOM 1338 CA ARG A 170 10.764 -28.793 -11.794 1.00 64.45 C ATOM 1339 C ARG A 170 12.100 -29.348 -11.309 1.00 32.44 C ATOM 1340 O ARG A 170 12.232 -29.757 -10.156 1.00 71.21 O ATOM 1341 CB ARG A 170 9.968 -29.893 -12.500 1.00 3.01 C ATOM 1342 CG ARG A 170 10.553 -30.300 -13.843 1.00 21.22 C ATOM 1343 CD ARG A 170 9.796 -31.473 -14.446 1.00 64.43 C ATOM 1344 NE ARG A 170 10.353 -32.757 -14.029 1.00 33.33 N ATOM 1345 CZ ARG A 170 10.021 -33.918 -14.584 1.00 12.34 C ATOM 1346 NH1 ARG A 170 9.140 -33.954 -15.574 1.00 3.35 N1+ ATOM 1347 NH2 ARG A 170 10.573 -35.044 -14.150 1.00 44.41 N ATOM 0 H ARG A 170 11.104 -27.914 -13.666 1.00 13.32 H new ATOM 0 HA ARG A 170 10.199 -28.444 -10.929 1.00 64.45 H new ATOM 0 HB2 ARG A 170 9.921 -30.769 -11.853 1.00 3.01 H new ATOM 0 HB3 ARG A 170 8.944 -29.551 -12.648 1.00 3.01 H new ATOM 0 HG2 ARG A 170 10.519 -29.453 -14.528 1.00 21.22 H new ATOM 0 HG3 ARG A 170 11.602 -30.568 -13.718 1.00 21.22 H new ATOM 0 HD2 ARG A 170 8.748 -31.419 -14.150 1.00 64.43 H new ATOM 0 HD3 ARG A 170 9.824 -31.402 -15.533 1.00 64.43 H new ATOM 0 HE ARG A 170 11.034 -32.763 -13.270 1.00 33.33 H new ATOM 0 HH11 ARG A 170 8.716 -33.090 -15.911 1.00 3.35 H new ATOM 0 HH12 ARG A 170 8.886 -34.846 -15.999 1.00 3.35 H new ATOM 0 HH21 ARG A 170 11.253 -35.019 -13.390 1.00 44.41 H new ATOM 0 HH22 ARG A 170 10.318 -35.935 -14.577 1.00 44.41 H new ATOM 1361 N ARG A 171 13.087 -29.361 -12.199 1.00 61.43 N ATOM 1362 CA ARG A 171 14.413 -29.867 -11.864 1.00 54.13 C ATOM 1363 C ARG A 171 15.214 -28.824 -11.090 1.00 41.13 C ATOM 1364 O ARG A 171 16.105 -29.162 -10.313 1.00 64.11 O ATOM 1365 CB ARG A 171 15.166 -30.266 -13.134 1.00 13.15 C ATOM 1366 CG ARG A 171 14.511 -31.406 -13.897 1.00 24.35 C ATOM 1367 CD ARG A 171 14.870 -31.365 -15.374 1.00 42.03 C ATOM 1368 NE ARG A 171 14.459 -32.581 -16.072 1.00 64.34 N ATOM 1369 CZ ARG A 171 14.553 -32.741 -17.386 1.00 51.24 C ATOM 1370 NH1 ARG A 171 15.041 -31.768 -18.143 1.00 23.41 N1+ ATOM 1371 NH2 ARG A 171 14.159 -33.877 -17.948 1.00 34.32 N ATOM 0 H ARG A 171 12.993 -29.027 -13.158 1.00 61.43 H new ATOM 0 HA ARG A 171 14.290 -30.747 -11.232 1.00 54.13 H new ATOM 0 HB2 ARG A 171 15.242 -29.398 -13.789 1.00 13.15 H new ATOM 0 HB3 ARG A 171 16.183 -30.555 -12.868 1.00 13.15 H new ATOM 0 HG2 ARG A 171 14.826 -32.359 -13.471 1.00 24.35 H new ATOM 0 HG3 ARG A 171 13.429 -31.348 -13.783 1.00 24.35 H new ATOM 0 HD2 ARG A 171 14.394 -30.502 -15.839 1.00 42.03 H new ATOM 0 HD3 ARG A 171 15.946 -31.232 -15.482 1.00 42.03 H new ATOM 0 HE ARG A 171 14.079 -33.349 -15.519 1.00 64.34 H new ATOM 0 HH11 ARG A 171 15.346 -30.893 -17.716 1.00 23.41 H new ATOM 0 HH12 ARG A 171 15.112 -31.894 -19.153 1.00 23.41 H new ATOM 0 HH21 ARG A 171 13.783 -34.629 -17.370 1.00 34.32 H new ATOM 0 HH22 ARG A 171 14.232 -33.998 -18.958 1.00 34.32 H new ATOM 1385 N ALA A 172 14.889 -27.554 -11.311 1.00 63.40 N ATOM 1386 CA ALA A 172 15.577 -26.461 -10.634 1.00 2.13 C ATOM 1387 C ALA A 172 15.256 -26.449 -9.144 1.00 45.02 C ATOM 1388 O ALA A 172 15.924 -25.776 -8.359 1.00 44.21 O ATOM 1389 CB ALA A 172 15.202 -25.129 -11.268 1.00 62.22 C ATOM 0 H ALA A 172 14.154 -27.257 -11.953 1.00 63.40 H new ATOM 0 HA ALA A 172 16.650 -26.615 -10.746 1.00 2.13 H new ATOM 0 HB1 ALA A 172 15.723 -24.322 -10.753 1.00 62.22 H new ATOM 0 HB2 ALA A 172 15.489 -25.133 -12.320 1.00 62.22 H new ATOM 0 HB3 ALA A 172 14.126 -24.977 -11.186 1.00 62.22 H new ATOM 1395 N VAL A 173 14.228 -27.199 -8.759 1.00 4.21 N ATOM 1396 CA VAL A 173 13.817 -27.275 -7.361 1.00 11.43 C ATOM 1397 C VAL A 173 14.993 -27.643 -6.464 1.00 14.32 C ATOM 1398 O VAL A 173 15.050 -27.238 -5.302 1.00 63.23 O ATOM 1399 CB VAL A 173 12.690 -28.306 -7.162 1.00 61.53 C ATOM 1400 CG1 VAL A 173 13.203 -29.714 -7.424 1.00 60.30 C ATOM 1401 CG2 VAL A 173 12.108 -28.194 -5.762 1.00 52.12 C ATOM 0 H VAL A 173 13.664 -27.763 -9.395 1.00 4.21 H new ATOM 0 HA VAL A 173 13.447 -26.288 -7.085 1.00 11.43 H new ATOM 0 HB VAL A 173 11.896 -28.095 -7.879 1.00 61.53 H new ATOM 0 HG11 VAL A 173 12.393 -30.429 -7.279 1.00 60.30 H new ATOM 0 HG12 VAL A 173 13.569 -29.783 -8.448 1.00 60.30 H new ATOM 0 HG13 VAL A 173 14.015 -29.940 -6.733 1.00 60.30 H new ATOM 0 HG21 VAL A 173 11.313 -28.930 -5.639 1.00 52.12 H new ATOM 0 HG22 VAL A 173 12.891 -28.379 -5.027 1.00 52.12 H new ATOM 0 HG23 VAL A 173 11.702 -27.193 -5.616 1.00 52.12 H new ATOM 1411 N ILE A 174 15.929 -28.413 -7.009 1.00 53.34 N ATOM 1412 CA ILE A 174 17.105 -28.834 -6.256 1.00 61.21 C ATOM 1413 C ILE A 174 17.942 -27.634 -5.827 1.00 61.34 C ATOM 1414 O ILE A 174 18.605 -27.668 -4.792 1.00 73.44 O ATOM 1415 CB ILE A 174 17.986 -29.793 -7.080 1.00 31.14 C ATOM 1416 CG1 ILE A 174 18.616 -29.052 -8.261 1.00 21.44 C ATOM 1417 CG2 ILE A 174 17.166 -30.979 -7.567 1.00 1.52 C ATOM 1418 CD1 ILE A 174 19.499 -29.929 -9.122 1.00 43.50 C ATOM 0 H ILE A 174 15.896 -28.758 -7.968 1.00 53.34 H new ATOM 0 HA ILE A 174 16.743 -29.356 -5.370 1.00 61.21 H new ATOM 0 HB ILE A 174 18.786 -30.168 -6.442 1.00 31.14 H new ATOM 0 HG12 ILE A 174 17.824 -28.630 -8.879 1.00 21.44 H new ATOM 0 HG13 ILE A 174 19.205 -28.216 -7.883 1.00 21.44 H new ATOM 0 HG21 ILE A 174 17.802 -31.647 -8.147 1.00 1.52 H new ATOM 0 HG22 ILE A 174 16.760 -31.517 -6.710 1.00 1.52 H new ATOM 0 HG23 ILE A 174 16.347 -30.623 -8.193 1.00 1.52 H new ATOM 0 HD11 ILE A 174 19.912 -29.338 -9.940 1.00 43.50 H new ATOM 0 HD12 ILE A 174 20.312 -30.331 -8.518 1.00 43.50 H new ATOM 0 HD13 ILE A 174 18.910 -30.750 -9.529 1.00 43.50 H new ATOM 1430 N GLU A 175 17.904 -26.575 -6.631 1.00 41.14 N ATOM 1431 CA GLU A 175 18.658 -25.364 -6.331 1.00 41.22 C ATOM 1432 C GLU A 175 18.042 -24.613 -5.155 1.00 41.13 C ATOM 1433 O GLU A 175 18.744 -24.190 -4.237 1.00 64.54 O ATOM 1434 CB GLU A 175 18.711 -24.453 -7.560 1.00 45.13 C ATOM 1435 CG GLU A 175 19.075 -25.181 -8.843 1.00 52.34 C ATOM 1436 CD GLU A 175 20.491 -25.724 -8.823 1.00 64.43 C ATOM 1437 OE1 GLU A 175 20.804 -26.535 -7.927 1.00 13.32 O1- ATOM 1438 OE2 GLU A 175 21.286 -25.338 -9.706 1.00 72.13 O ATOM 0 H GLU A 175 17.360 -26.532 -7.493 1.00 41.14 H new ATOM 0 HA GLU A 175 19.672 -25.658 -6.059 1.00 41.22 H new ATOM 0 HB2 GLU A 175 17.741 -23.973 -7.688 1.00 45.13 H new ATOM 0 HB3 GLU A 175 19.438 -23.661 -7.383 1.00 45.13 H new ATOM 0 HG2 GLU A 175 18.377 -26.003 -9.001 1.00 52.34 H new ATOM 0 HG3 GLU A 175 18.962 -24.501 -9.687 1.00 52.34 H new ATOM 1445 N SER A 176 16.722 -24.453 -5.189 1.00 33.30 N ATOM 1446 CA SER A 176 16.009 -23.751 -4.129 1.00 74.04 C ATOM 1447 C SER A 176 16.371 -24.323 -2.761 1.00 63.41 C ATOM 1448 O SER A 176 16.663 -23.580 -1.824 1.00 54.23 O ATOM 1449 CB SER A 176 14.498 -23.846 -4.351 1.00 15.31 C ATOM 1450 OG SER A 176 14.015 -25.136 -4.023 1.00 72.12 O ATOM 0 H SER A 176 16.125 -24.800 -5.940 1.00 33.30 H new ATOM 0 HA SER A 176 16.307 -22.703 -4.156 1.00 74.04 H new ATOM 0 HB2 SER A 176 13.990 -23.098 -3.742 1.00 15.31 H new ATOM 0 HB3 SER A 176 14.265 -23.621 -5.392 1.00 15.31 H new ATOM 0 HG SER A 176 13.035 -25.133 -4.042 1.00 72.12 H new ATOM 1456 N GLU A 177 16.347 -25.647 -2.655 1.00 54.35 N ATOM 1457 CA GLU A 177 16.671 -26.318 -1.402 1.00 44.40 C ATOM 1458 C GLU A 177 18.043 -25.888 -0.892 1.00 62.41 C ATOM 1459 O GLU A 177 18.186 -25.460 0.252 1.00 45.33 O ATOM 1460 CB GLU A 177 16.638 -27.837 -1.587 1.00 54.14 C ATOM 1461 CG GLU A 177 15.295 -28.362 -2.067 1.00 45.50 C ATOM 1462 CD GLU A 177 14.303 -28.547 -0.935 1.00 30.24 C ATOM 1463 OE1 GLU A 177 14.653 -29.219 0.057 1.00 54.53 O1- ATOM 1464 OE2 GLU A 177 13.176 -28.019 -1.041 1.00 1.22 O ATOM 0 H GLU A 177 16.107 -26.276 -3.421 1.00 54.35 H new ATOM 0 HA GLU A 177 15.922 -26.032 -0.664 1.00 44.40 H new ATOM 0 HB2 GLU A 177 17.408 -28.124 -2.303 1.00 54.14 H new ATOM 0 HB3 GLU A 177 16.889 -28.316 -0.640 1.00 54.14 H new ATOM 0 HG2 GLU A 177 14.880 -27.670 -2.800 1.00 45.50 H new ATOM 0 HG3 GLU A 177 15.442 -29.315 -2.576 1.00 45.50 H new ATOM 1471 N ASN A 178 19.051 -26.004 -1.752 1.00 31.53 N ATOM 1472 CA ASN A 178 20.412 -25.627 -1.390 1.00 54.34 C ATOM 1473 C ASN A 178 20.837 -24.356 -2.119 1.00 61.14 C ATOM 1474 O ASN A 178 21.853 -24.338 -2.814 1.00 23.32 O ATOM 1475 CB ASN A 178 21.382 -26.764 -1.717 1.00 24.22 C ATOM 1476 CG ASN A 178 22.741 -26.569 -1.075 1.00 53.15 C ATOM 1477 OD1 ASN A 178 22.895 -26.722 0.138 1.00 22.43 O ATOM 1478 ND2 ASN A 178 23.735 -26.227 -1.887 1.00 41.11 N ATOM 0 H ASN A 178 18.950 -26.356 -2.704 1.00 31.53 H new ATOM 0 HA ASN A 178 20.436 -25.435 -0.317 1.00 54.34 H new ATOM 0 HB2 ASN A 178 20.956 -27.709 -1.379 1.00 24.22 H new ATOM 0 HB3 ASN A 178 21.501 -26.836 -2.798 1.00 24.22 H new ATOM 0 HD21 ASN A 178 24.672 -26.080 -1.512 1.00 41.11 H new ATOM 0 HD22 ASN A 178 23.561 -26.111 -2.885 1.00 41.11 H new ATOM 1485 N SER A 179 20.053 -23.296 -1.954 1.00 21.43 N ATOM 1486 CA SER A 179 20.347 -22.021 -2.598 1.00 15.51 C ATOM 1487 C SER A 179 21.787 -21.595 -2.331 1.00 64.24 C ATOM 1488 O SER A 179 22.060 -20.425 -2.069 1.00 71.22 O ATOM 1489 CB SER A 179 19.383 -20.941 -2.103 1.00 21.23 C ATOM 1490 OG SER A 179 19.659 -20.591 -0.758 1.00 74.50 O ATOM 0 H SER A 179 19.210 -23.294 -1.380 1.00 21.43 H new ATOM 0 HA SER A 179 20.218 -22.148 -3.673 1.00 15.51 H new ATOM 0 HB2 SER A 179 19.465 -20.058 -2.736 1.00 21.23 H new ATOM 0 HB3 SER A 179 18.357 -21.299 -2.186 1.00 21.23 H new ATOM 0 HG SER A 179 19.031 -19.898 -0.465 1.00 74.50 H new