USER MOD reduce.3.24.130724 H: found=0, std=0, add=1153, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1151 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 121 LYS NZ :NH3+ -167:sc= 0 (180deg=0) USER MOD Set 1.2: A 125 ASN : amide:sc= -0.995 K(o=-1,f=-2.1!) USER MOD Set 2.1: A 65 ASN : amide:sc= -0.731 K(o=-0.42,f=-1.7!) USER MOD Set 2.2: A 69 GLN : amide:sc= 0.315 K(o=-0.42,f=-1.6) USER MOD Set 3.1: A 23 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 26 SER OG : rot -47:sc= 0.00693 USER MOD Set 4.1: A 13 ASN : amide:sc= 0.196 K(o=0.4,f=-0.46) USER MOD Set 4.2: A 46 TYR OH : rot 24:sc= 0.203 USER MOD Set 5.1: A 9 THR OG1 : rot 84:sc= 1.2 USER MOD Set 5.2: A 42 MET CE :methyl -166:sc= -0.891 (180deg=-1.27) USER MOD Set 6.1: A 4 SER OG : rot -136:sc= 1.21 USER MOD Set 6.2: A 7 GLN : amide:sc= 0.0744 K(o=1.3,f=-8.7!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 80:sc= 0.876 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -55:sc= 0.676 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -0.122 F(o=-0.77,f=-0.12) USER MOD Single : A 21 SER OG : rot 180:sc= -0.287 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -1.51 K(o=-1.5,f=-6.5!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -107:sc= 0.507 (180deg=-0.546) USER MOD Single : A 44 LYS NZ :NH3+ -160:sc= -0.0305 (180deg=-0.235) USER MOD Single : A 47 MET CE :methyl -124:sc= -2.95! (180deg=-6.8!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.129 K(o=-0.13,f=-1.7) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 57 LYS NZ :NH3+ -148:sc= 0.588 (180deg=0.0083) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.0243 X(o=-0.024,f=-0.21) USER MOD Single : A 70 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.022) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.598 K(o=-0.6,f=-1.7!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.19) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.725 F(o=-1.2,f=-0.72) USER MOD Single : A 82 SER OG : rot 90:sc= -0.183 USER MOD Single : A 85 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0111) USER MOD Single : A 95 ASN : amide:sc= -4.44! C(o=-4.4!,f=-4.1!) USER MOD Single : A 96 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.17) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 167:sc=-0.00527 (180deg=-0.117) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN :FLIP amide:sc= -0.0211 F(o=-1.2,f=-0.021) USER MOD Single : A 114 LYS NZ :NH3+ -165:sc= 0.41 (180deg=-0.0992) USER MOD Single : A 117 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.12) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= -0.0674 X(o=-0.067,f=-0.027) USER MOD Single : A 130 SER OG : rot 177:sc= 0.397 USER MOD Single : A 137 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 138 HIS : no HD1:sc=-0.00412 K(o=-0.0041,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 3.830 -1.105 -3.409 1.00 64.42 N ATOM 2 CA ALA A 2 4.101 -2.214 -4.316 1.00 44.33 C ATOM 3 C ALA A 2 4.258 -3.523 -3.551 1.00 63.53 C ATOM 4 O ALA A 2 3.847 -4.583 -4.024 1.00 70.31 O ATOM 5 CB ALA A 2 5.349 -1.929 -5.140 1.00 55.30 C ATOM 0 HA ALA A 2 3.250 -2.317 -4.989 1.00 44.33 H new ATOM 0 HB1 ALA A 2 5.540 -2.765 -5.813 1.00 55.30 H new ATOM 0 HB2 ALA A 2 5.200 -1.020 -5.723 1.00 55.30 H new ATOM 0 HB3 ALA A 2 6.202 -1.797 -4.475 1.00 55.30 H new ATOM 11 N PHE A 3 4.856 -3.444 -2.367 1.00 43.23 N ATOM 12 CA PHE A 3 5.069 -4.624 -1.537 1.00 41.23 C ATOM 13 C PHE A 3 3.755 -5.357 -1.288 1.00 34.34 C ATOM 14 O PHE A 3 2.687 -4.892 -1.685 1.00 74.45 O ATOM 15 CB PHE A 3 5.706 -4.227 -0.204 1.00 23.41 C ATOM 16 CG PHE A 3 4.744 -3.584 0.753 1.00 75.12 C ATOM 17 CD1 PHE A 3 4.261 -2.307 0.517 1.00 4.21 C ATOM 18 CD2 PHE A 3 4.321 -4.257 1.888 1.00 1.32 C ATOM 19 CE1 PHE A 3 3.375 -1.712 1.395 1.00 10.02 C ATOM 20 CE2 PHE A 3 3.435 -3.667 2.770 1.00 74.24 C ATOM 21 CZ PHE A 3 2.962 -2.393 2.523 1.00 10.15 C ATOM 0 H PHE A 3 5.202 -2.575 -1.960 1.00 43.23 H new ATOM 0 HA PHE A 3 5.744 -5.295 -2.068 1.00 41.23 H new ATOM 0 HB2 PHE A 3 6.133 -5.114 0.264 1.00 23.41 H new ATOM 0 HB3 PHE A 3 6.530 -3.540 -0.395 1.00 23.41 H new ATOM 0 HD1 PHE A 3 4.581 -1.770 -0.364 1.00 4.21 H new ATOM 0 HD2 PHE A 3 4.688 -5.253 2.086 1.00 1.32 H new ATOM 0 HE1 PHE A 3 3.006 -0.716 1.199 1.00 10.02 H new ATOM 0 HE2 PHE A 3 3.113 -4.202 3.651 1.00 74.24 H new ATOM 0 HZ PHE A 3 2.270 -1.930 3.211 1.00 10.15 H new ATOM 31 N SER A 4 3.842 -6.507 -0.626 1.00 71.13 N ATOM 32 CA SER A 4 2.661 -7.308 -0.327 1.00 32.12 C ATOM 33 C SER A 4 2.319 -7.238 1.159 1.00 62.15 C ATOM 34 O SER A 4 3.029 -7.794 1.997 1.00 73.22 O ATOM 35 CB SER A 4 2.887 -8.763 -0.742 1.00 32.23 C ATOM 36 OG SER A 4 1.675 -9.497 -0.709 1.00 51.14 O ATOM 0 H SER A 4 4.718 -6.904 -0.287 1.00 71.13 H new ATOM 0 HA SER A 4 1.824 -6.902 -0.894 1.00 32.12 H new ATOM 0 HB2 SER A 4 3.309 -8.797 -1.746 1.00 32.23 H new ATOM 0 HB3 SER A 4 3.614 -9.226 -0.075 1.00 32.23 H new ATOM 0 HG SER A 4 1.833 -10.370 -0.293 1.00 51.14 H new ATOM 42 N SER A 5 1.227 -6.550 1.476 1.00 22.34 N ATOM 43 CA SER A 5 0.792 -6.403 2.860 1.00 22.34 C ATOM 44 C SER A 5 0.543 -7.766 3.499 1.00 23.23 C ATOM 45 O SER A 5 0.635 -7.918 4.717 1.00 74.21 O ATOM 46 CB SER A 5 -0.479 -5.555 2.930 1.00 1.24 C ATOM 47 OG SER A 5 -1.600 -6.274 2.447 1.00 63.53 O ATOM 0 H SER A 5 0.628 -6.086 0.794 1.00 22.34 H new ATOM 0 HA SER A 5 1.586 -5.901 3.413 1.00 22.34 H new ATOM 0 HB2 SER A 5 -0.658 -5.246 3.960 1.00 1.24 H new ATOM 0 HB3 SER A 5 -0.346 -4.646 2.343 1.00 1.24 H new ATOM 0 HG SER A 5 -2.400 -5.710 2.504 1.00 63.53 H new ATOM 53 N GLU A 6 0.228 -8.754 2.667 1.00 22.14 N ATOM 54 CA GLU A 6 -0.035 -10.104 3.151 1.00 61.41 C ATOM 55 C GLU A 6 1.218 -10.713 3.774 1.00 10.14 C ATOM 56 O GLU A 6 1.139 -11.451 4.756 1.00 13.31 O ATOM 57 CB GLU A 6 -0.531 -10.992 2.008 1.00 54.25 C ATOM 58 CG GLU A 6 -0.874 -12.407 2.440 1.00 35.25 C ATOM 59 CD GLU A 6 -1.477 -13.231 1.319 1.00 42.44 C ATOM 60 OE1 GLU A 6 -2.306 -12.684 0.561 1.00 0.24 O ATOM 61 OE2 GLU A 6 -1.120 -14.421 1.198 1.00 44.02 O ATOM 0 H GLU A 6 0.149 -8.645 1.656 1.00 22.14 H new ATOM 0 HA GLU A 6 -0.808 -10.043 3.917 1.00 61.41 H new ATOM 0 HB2 GLU A 6 -1.413 -10.534 1.560 1.00 54.25 H new ATOM 0 HB3 GLU A 6 0.235 -11.033 1.233 1.00 54.25 H new ATOM 0 HG2 GLU A 6 0.028 -12.900 2.803 1.00 35.25 H new ATOM 0 HG3 GLU A 6 -1.574 -12.368 3.274 1.00 35.25 H new ATOM 68 N GLN A 7 2.372 -10.398 3.196 1.00 44.21 N ATOM 69 CA GLN A 7 3.642 -10.914 3.694 1.00 72.32 C ATOM 70 C GLN A 7 3.910 -10.425 5.113 1.00 13.51 C ATOM 71 O GLN A 7 4.200 -11.217 6.010 1.00 52.32 O ATOM 72 CB GLN A 7 4.786 -10.491 2.771 1.00 71.00 C ATOM 73 CG GLN A 7 5.081 -11.495 1.668 1.00 1.31 C ATOM 74 CD GLN A 7 3.823 -12.097 1.075 1.00 54.43 C ATOM 75 OE1 GLN A 7 3.005 -11.393 0.481 1.00 73.53 O ATOM 76 NE2 GLN A 7 3.661 -13.405 1.232 1.00 34.14 N ATOM 0 H GLN A 7 2.454 -9.788 2.383 1.00 44.21 H new ATOM 0 HA GLN A 7 3.581 -12.002 3.710 1.00 72.32 H new ATOM 0 HB2 GLN A 7 4.541 -9.530 2.320 1.00 71.00 H new ATOM 0 HB3 GLN A 7 5.687 -10.343 3.367 1.00 71.00 H new ATOM 0 HG2 GLN A 7 5.651 -11.005 0.879 1.00 1.31 H new ATOM 0 HG3 GLN A 7 5.708 -12.293 2.066 1.00 1.31 H new ATOM 0 HE21 GLN A 7 4.364 -13.950 1.731 1.00 34.14 H new ATOM 0 HE22 GLN A 7 2.833 -13.865 0.853 1.00 34.14 H new ATOM 85 N PHE A 8 3.811 -9.114 5.310 1.00 41.01 N ATOM 86 CA PHE A 8 4.044 -8.518 6.620 1.00 22.13 C ATOM 87 C PHE A 8 3.111 -9.121 7.666 1.00 54.01 C ATOM 88 O PHE A 8 3.525 -9.425 8.785 1.00 65.12 O ATOM 89 CB PHE A 8 3.846 -7.002 6.557 1.00 24.12 C ATOM 90 CG PHE A 8 4.163 -6.302 7.848 1.00 72.12 C ATOM 91 CD1 PHE A 8 5.379 -6.504 8.481 1.00 54.12 C ATOM 92 CD2 PHE A 8 3.244 -5.443 8.428 1.00 0.53 C ATOM 93 CE1 PHE A 8 5.673 -5.861 9.668 1.00 1.15 C ATOM 94 CE2 PHE A 8 3.533 -4.797 9.615 1.00 1.54 C ATOM 95 CZ PHE A 8 4.749 -5.007 10.237 1.00 55.11 C ATOM 0 H PHE A 8 3.571 -8.445 4.579 1.00 41.01 H new ATOM 0 HA PHE A 8 5.073 -8.731 6.910 1.00 22.13 H new ATOM 0 HB2 PHE A 8 4.477 -6.594 5.767 1.00 24.12 H new ATOM 0 HB3 PHE A 8 2.813 -6.790 6.282 1.00 24.12 H new ATOM 0 HD1 PHE A 8 6.105 -7.172 8.041 1.00 54.12 H new ATOM 0 HD2 PHE A 8 2.291 -5.276 7.947 1.00 0.53 H new ATOM 0 HE1 PHE A 8 6.625 -6.026 10.151 1.00 1.15 H new ATOM 0 HE2 PHE A 8 2.809 -4.128 10.056 1.00 1.54 H new ATOM 0 HZ PHE A 8 4.976 -4.505 11.166 1.00 55.11 H new ATOM 105 N THR A 9 1.846 -9.291 7.293 1.00 14.15 N ATOM 106 CA THR A 9 0.852 -9.855 8.198 1.00 71.31 C ATOM 107 C THR A 9 1.139 -11.325 8.483 1.00 45.12 C ATOM 108 O THR A 9 1.228 -11.739 9.639 1.00 10.44 O ATOM 109 CB THR A 9 -0.571 -9.725 7.622 1.00 44.44 C ATOM 110 OG1 THR A 9 -0.724 -8.454 6.979 1.00 33.05 O ATOM 111 CG2 THR A 9 -1.614 -9.874 8.718 1.00 15.01 C ATOM 0 H THR A 9 1.486 -9.046 6.371 1.00 14.15 H new ATOM 0 HA THR A 9 0.914 -9.288 9.127 1.00 71.31 H new ATOM 0 HB THR A 9 -0.719 -10.521 6.892 1.00 44.44 H new ATOM 0 HG1 THR A 9 -0.378 -8.507 6.064 1.00 33.05 H new ATOM 0 HG21 THR A 9 -2.611 -9.779 8.287 1.00 15.01 H new ATOM 0 HG22 THR A 9 -1.513 -10.853 9.186 1.00 15.01 H new ATOM 0 HG23 THR A 9 -1.467 -9.097 9.468 1.00 15.01 H new ATOM 119 N THR A 10 1.286 -12.111 7.421 1.00 74.41 N ATOM 120 CA THR A 10 1.563 -13.536 7.557 1.00 0.31 C ATOM 121 C THR A 10 2.835 -13.774 8.363 1.00 50.52 C ATOM 122 O THR A 10 2.878 -14.644 9.233 1.00 51.41 O ATOM 123 CB THR A 10 1.706 -14.214 6.182 1.00 73.24 C ATOM 124 OG1 THR A 10 0.489 -14.077 5.439 1.00 31.42 O ATOM 125 CG2 THR A 10 2.047 -15.688 6.338 1.00 22.32 C ATOM 0 H THR A 10 1.218 -11.785 6.457 1.00 74.41 H new ATOM 0 HA THR A 10 0.715 -13.974 8.083 1.00 0.31 H new ATOM 0 HB THR A 10 2.517 -13.725 5.643 1.00 73.24 H new ATOM 0 HG1 THR A 10 0.448 -13.183 5.040 1.00 31.42 H new ATOM 0 HG21 THR A 10 2.143 -16.145 5.353 1.00 22.32 H new ATOM 0 HG22 THR A 10 2.988 -15.788 6.878 1.00 22.32 H new ATOM 0 HG23 THR A 10 1.254 -16.188 6.895 1.00 22.32 H new ATOM 133 N LYS A 11 3.870 -12.995 8.069 1.00 44.53 N ATOM 134 CA LYS A 11 5.144 -13.118 8.767 1.00 24.40 C ATOM 135 C LYS A 11 4.988 -12.786 10.247 1.00 31.05 C ATOM 136 O LYS A 11 5.536 -13.474 11.110 1.00 73.01 O ATOM 137 CB LYS A 11 6.188 -12.196 8.134 1.00 43.31 C ATOM 138 CG LYS A 11 6.816 -12.763 6.873 1.00 44.14 C ATOM 139 CD LYS A 11 8.063 -11.991 6.475 1.00 64.10 C ATOM 140 CE LYS A 11 9.261 -12.391 7.324 1.00 53.14 C ATOM 141 NZ LYS A 11 9.934 -13.609 6.794 1.00 32.21 N ATOM 0 H LYS A 11 3.851 -12.271 7.351 1.00 44.53 H new ATOM 0 HA LYS A 11 5.480 -14.151 8.678 1.00 24.40 H new ATOM 0 HB2 LYS A 11 5.721 -11.240 7.899 1.00 43.31 H new ATOM 0 HB3 LYS A 11 6.974 -11.996 8.863 1.00 43.31 H new ATOM 0 HG2 LYS A 11 7.071 -13.811 7.032 1.00 44.14 H new ATOM 0 HG3 LYS A 11 6.092 -12.731 6.059 1.00 44.14 H new ATOM 0 HD2 LYS A 11 8.284 -12.172 5.423 1.00 64.10 H new ATOM 0 HD3 LYS A 11 7.880 -10.922 6.583 1.00 64.10 H new ATOM 0 HE2 LYS A 11 9.974 -11.567 7.357 1.00 53.14 H new ATOM 0 HE3 LYS A 11 8.936 -12.572 8.348 1.00 53.14 H new ATOM 0 HZ1 LYS A 11 10.745 -13.849 7.400 1.00 32.21 H new ATOM 0 HZ2 LYS A 11 9.261 -14.402 6.786 1.00 32.21 H new ATOM 0 HZ3 LYS A 11 10.267 -13.428 5.826 1.00 32.21 H new ATOM 155 N LEU A 12 4.237 -11.729 10.536 1.00 75.15 N ATOM 156 CA LEU A 12 4.006 -11.306 11.913 1.00 64.43 C ATOM 157 C LEU A 12 3.235 -12.370 12.687 1.00 24.53 C ATOM 158 O LEU A 12 3.417 -12.528 13.894 1.00 42.33 O ATOM 159 CB LEU A 12 3.239 -9.983 11.939 1.00 20.45 C ATOM 160 CG LEU A 12 4.057 -8.727 11.638 1.00 13.01 C ATOM 161 CD1 LEU A 12 3.157 -7.617 11.116 1.00 64.55 C ATOM 162 CD2 LEU A 12 4.806 -8.268 12.880 1.00 5.11 C ATOM 0 H LEU A 12 3.777 -11.149 9.834 1.00 75.15 H new ATOM 0 HA LEU A 12 4.975 -11.166 12.392 1.00 64.43 H new ATOM 0 HB2 LEU A 12 2.425 -10.044 11.217 1.00 20.45 H new ATOM 0 HB3 LEU A 12 2.784 -9.869 12.923 1.00 20.45 H new ATOM 0 HG LEU A 12 4.788 -8.969 10.866 1.00 13.01 H new ATOM 0 HD11 LEU A 12 3.756 -6.731 10.907 1.00 64.55 H new ATOM 0 HD12 LEU A 12 2.666 -7.947 10.201 1.00 64.55 H new ATOM 0 HD13 LEU A 12 2.403 -7.377 11.866 1.00 64.55 H new ATOM 0 HD21 LEU A 12 5.383 -7.373 12.647 1.00 5.11 H new ATOM 0 HD22 LEU A 12 4.093 -8.044 13.673 1.00 5.11 H new ATOM 0 HD23 LEU A 12 5.480 -9.058 13.211 1.00 5.11 H new ATOM 174 N ASN A 13 2.375 -13.100 11.984 1.00 23.01 N ATOM 175 CA ASN A 13 1.578 -14.151 12.606 1.00 55.15 C ATOM 176 C ASN A 13 2.372 -15.450 12.705 1.00 12.34 C ATOM 177 O ASN A 13 1.882 -16.452 13.227 1.00 21.10 O ATOM 178 CB ASN A 13 0.294 -14.385 11.807 1.00 73.22 C ATOM 179 CG ASN A 13 -0.824 -13.447 12.220 1.00 23.12 C ATOM 180 OD1 ASN A 13 -1.261 -13.454 13.371 1.00 41.40 O ATOM 181 ND2 ASN A 13 -1.292 -12.634 11.280 1.00 23.11 N ATOM 0 H ASN A 13 2.212 -12.983 10.984 1.00 23.01 H new ATOM 0 HA ASN A 13 1.318 -13.827 13.614 1.00 55.15 H new ATOM 0 HB2 ASN A 13 0.501 -14.253 10.745 1.00 73.22 H new ATOM 0 HB3 ASN A 13 -0.032 -15.416 11.943 1.00 73.22 H new ATOM 0 HD21 ASN A 13 -2.044 -11.981 11.499 1.00 23.11 H new ATOM 0 HD22 ASN A 13 -0.899 -12.663 10.339 1.00 23.11 H new ATOM 188 N THR A 14 3.602 -15.425 12.202 1.00 1.11 N ATOM 189 CA THR A 14 4.465 -16.599 12.234 1.00 74.33 C ATOM 190 C THR A 14 5.890 -16.225 12.624 1.00 14.54 C ATOM 191 O THR A 14 6.836 -16.959 12.338 1.00 44.53 O ATOM 192 CB THR A 14 4.490 -17.315 10.870 1.00 54.21 C ATOM 193 OG1 THR A 14 5.146 -18.582 10.993 1.00 14.33 O ATOM 194 CG2 THR A 14 5.204 -16.468 9.827 1.00 13.34 C ATOM 0 H THR A 14 4.023 -14.604 11.767 1.00 1.11 H new ATOM 0 HA THR A 14 4.052 -17.274 12.984 1.00 74.33 H new ATOM 0 HB THR A 14 3.460 -17.469 10.547 1.00 54.21 H new ATOM 0 HG1 THR A 14 6.038 -18.453 11.377 1.00 14.33 H new ATOM 0 HG21 THR A 14 5.209 -16.994 8.872 1.00 13.34 H new ATOM 0 HG22 THR A 14 4.685 -15.516 9.714 1.00 13.34 H new ATOM 0 HG23 THR A 14 6.230 -16.286 10.146 1.00 13.34 H new ATOM 202 N LEU A 15 6.036 -15.079 13.281 1.00 41.13 N ATOM 203 CA LEU A 15 7.347 -14.607 13.712 1.00 2.41 C ATOM 204 C LEU A 15 7.663 -15.091 15.124 1.00 62.15 C ATOM 205 O LEU A 15 6.781 -15.159 15.978 1.00 34.51 O ATOM 206 CB LEU A 15 7.403 -13.079 13.661 1.00 41.24 C ATOM 207 CG LEU A 15 6.952 -12.348 14.926 1.00 43.44 C ATOM 208 CD1 LEU A 15 8.122 -12.160 15.879 1.00 1.12 C ATOM 209 CD2 LEU A 15 6.329 -11.005 14.572 1.00 22.02 C ATOM 0 H LEU A 15 5.263 -14.460 13.527 1.00 41.13 H new ATOM 0 HA LEU A 15 8.094 -15.015 13.032 1.00 2.41 H new ATOM 0 HB2 LEU A 15 8.427 -12.780 13.439 1.00 41.24 H new ATOM 0 HB3 LEU A 15 6.785 -12.740 12.830 1.00 41.24 H new ATOM 0 HG LEU A 15 6.197 -12.956 15.425 1.00 43.44 H new ATOM 0 HD11 LEU A 15 7.782 -11.638 16.774 1.00 1.12 H new ATOM 0 HD12 LEU A 15 8.524 -13.134 16.158 1.00 1.12 H new ATOM 0 HD13 LEU A 15 8.899 -11.573 15.390 1.00 1.12 H new ATOM 0 HD21 LEU A 15 6.014 -10.498 15.484 1.00 22.02 H new ATOM 0 HD22 LEU A 15 7.062 -10.390 14.050 1.00 22.02 H new ATOM 0 HD23 LEU A 15 5.464 -11.164 13.928 1.00 22.02 H new ATOM 221 N GLU A 16 8.928 -15.424 15.360 1.00 3.12 N ATOM 222 CA GLU A 16 9.360 -15.900 16.669 1.00 61.51 C ATOM 223 C GLU A 16 10.138 -14.818 17.413 1.00 72.45 C ATOM 224 O GLU A 16 10.523 -13.805 16.830 1.00 45.22 O ATOM 225 CB GLU A 16 10.225 -17.154 16.520 1.00 34.10 C ATOM 226 CG GLU A 16 9.433 -18.450 16.577 1.00 51.33 C ATOM 227 CD GLU A 16 8.529 -18.634 15.373 1.00 64.41 C ATOM 228 OE1 GLU A 16 8.991 -19.214 14.368 1.00 54.35 O ATOM 229 OE2 GLU A 16 7.360 -18.199 15.437 1.00 24.51 O ATOM 0 H GLU A 16 9.671 -15.373 14.663 1.00 3.12 H new ATOM 0 HA GLU A 16 8.471 -16.147 17.249 1.00 61.51 H new ATOM 0 HB2 GLU A 16 10.759 -17.106 15.571 1.00 34.10 H new ATOM 0 HB3 GLU A 16 10.977 -17.162 17.309 1.00 34.10 H new ATOM 0 HG2 GLU A 16 10.123 -19.291 16.640 1.00 51.33 H new ATOM 0 HG3 GLU A 16 8.830 -18.464 17.485 1.00 51.33 H new ATOM 236 N ASP A 17 10.364 -15.041 18.702 1.00 34.44 N ATOM 237 CA ASP A 17 11.095 -14.087 19.527 1.00 44.42 C ATOM 238 C ASP A 17 12.564 -14.483 19.644 1.00 33.32 C ATOM 239 O ASP A 17 12.962 -15.152 20.598 1.00 71.34 O ATOM 240 CB ASP A 17 10.466 -13.994 20.918 1.00 65.21 C ATOM 241 CG ASP A 17 10.943 -12.779 21.689 1.00 55.20 C ATOM 242 OD1 ASP A 17 12.172 -12.587 21.794 1.00 2.33 O ATOM 243 OD2 ASP A 17 10.086 -12.019 22.186 1.00 35.13 O ATOM 0 H ASP A 17 10.051 -15.875 19.199 1.00 34.44 H new ATOM 0 HA ASP A 17 11.038 -13.111 19.046 1.00 44.42 H new ATOM 0 HB2 ASP A 17 9.381 -13.956 20.821 1.00 65.21 H new ATOM 0 HB3 ASP A 17 10.704 -14.895 21.482 1.00 65.21 H new ATOM 248 N SER A 18 13.364 -14.067 18.668 1.00 72.12 N ATOM 249 CA SER A 18 14.787 -14.383 18.659 1.00 64.11 C ATOM 250 C SER A 18 15.588 -13.263 18.002 1.00 4.13 C ATOM 251 O SER A 18 15.047 -12.465 17.237 1.00 21.42 O ATOM 252 CB SER A 18 15.034 -15.701 17.923 1.00 62.24 C ATOM 253 OG SER A 18 15.190 -16.774 18.835 1.00 3.24 O ATOM 0 H SER A 18 13.051 -13.510 17.873 1.00 72.12 H new ATOM 0 HA SER A 18 15.118 -14.485 19.693 1.00 64.11 H new ATOM 0 HB2 SER A 18 14.200 -15.908 17.252 1.00 62.24 H new ATOM 0 HB3 SER A 18 15.927 -15.613 17.304 1.00 62.24 H new ATOM 0 HG SER A 18 15.345 -17.605 18.339 1.00 3.24 H new ATOM 259 N GLN A 19 16.881 -13.211 18.308 1.00 51.31 N ATOM 260 CA GLN A 19 17.757 -12.188 17.748 1.00 31.24 C ATOM 261 C GLN A 19 17.752 -12.241 16.224 1.00 35.32 C ATOM 262 O GLN A 19 17.630 -11.213 15.559 1.00 64.31 O ATOM 263 CB GLN A 19 19.183 -12.367 18.272 1.00 42.43 C ATOM 264 CG GLN A 19 19.397 -11.793 19.663 1.00 11.11 C ATOM 265 CD GLN A 19 19.489 -10.280 19.663 1.00 42.23 C ATOM 266 OE1 GLN A 19 18.339 -9.616 19.684 1.00 41.14 O flip ATOM 267 NE2 GLN A 19 20.582 -9.713 19.644 1.00 61.33 N flip ATOM 0 H GLN A 19 17.344 -13.864 18.940 1.00 51.31 H new ATOM 0 HA GLN A 19 17.382 -11.213 18.060 1.00 31.24 H new ATOM 0 HB2 GLN A 19 19.425 -13.430 18.285 1.00 42.43 H new ATOM 0 HB3 GLN A 19 19.878 -11.890 17.581 1.00 42.43 H new ATOM 0 HG2 GLN A 19 18.576 -12.103 20.310 1.00 11.11 H new ATOM 0 HG3 GLN A 19 20.311 -12.209 20.087 1.00 11.11 H new ATOM 0 HE21 GLN A 19 21.441 -10.262 19.628 1.00 61.33 H new ATOM 0 HE22 GLN A 19 20.628 -8.694 19.644 1.00 61.33 H new ATOM 276 N GLU A 20 17.884 -13.446 15.678 1.00 31.34 N ATOM 277 CA GLU A 20 17.895 -13.632 14.232 1.00 4.11 C ATOM 278 C GLU A 20 16.486 -13.521 13.658 1.00 32.02 C ATOM 279 O GLU A 20 16.296 -13.051 12.536 1.00 20.04 O ATOM 280 CB GLU A 20 18.498 -14.992 13.875 1.00 33.41 C ATOM 281 CG GLU A 20 19.989 -15.089 14.150 1.00 50.24 C ATOM 282 CD GLU A 20 20.591 -16.389 13.652 1.00 10.40 C ATOM 283 OE1 GLU A 20 19.989 -17.454 13.897 1.00 33.44 O ATOM 284 OE2 GLU A 20 21.665 -16.339 13.016 1.00 20.15 O ATOM 0 H GLU A 20 17.985 -14.307 16.215 1.00 31.34 H new ATOM 0 HA GLU A 20 18.509 -12.845 13.795 1.00 4.11 H new ATOM 0 HB2 GLU A 20 17.982 -15.768 14.440 1.00 33.41 H new ATOM 0 HB3 GLU A 20 18.318 -15.194 12.819 1.00 33.41 H new ATOM 0 HG2 GLU A 20 20.498 -14.251 13.673 1.00 50.24 H new ATOM 0 HG3 GLU A 20 20.163 -14.999 15.222 1.00 50.24 H new ATOM 291 N SER A 21 15.500 -13.958 14.436 1.00 44.10 N ATOM 292 CA SER A 21 14.108 -13.912 14.004 1.00 23.23 C ATOM 293 C SER A 21 13.637 -12.470 13.841 1.00 62.31 C ATOM 294 O SER A 21 13.073 -12.104 12.810 1.00 52.42 O ATOM 295 CB SER A 21 13.216 -14.641 15.011 1.00 60.22 C ATOM 296 OG SER A 21 13.453 -16.038 14.984 1.00 30.13 O ATOM 0 H SER A 21 15.640 -14.348 15.368 1.00 44.10 H new ATOM 0 HA SER A 21 14.036 -14.411 13.037 1.00 23.23 H new ATOM 0 HB2 SER A 21 13.404 -14.256 16.013 1.00 60.22 H new ATOM 0 HB3 SER A 21 12.168 -14.442 14.785 1.00 60.22 H new ATOM 0 HG SER A 21 12.872 -16.481 15.637 1.00 30.13 H new ATOM 302 N ILE A 22 13.873 -11.658 14.865 1.00 4.23 N ATOM 303 CA ILE A 22 13.475 -10.256 14.836 1.00 73.14 C ATOM 304 C ILE A 22 14.230 -9.493 13.753 1.00 54.33 C ATOM 305 O ILE A 22 13.659 -8.648 13.062 1.00 64.31 O ATOM 306 CB ILE A 22 13.718 -9.573 16.194 1.00 0.41 C ATOM 307 CG1 ILE A 22 12.880 -10.243 17.284 1.00 20.45 C ATOM 308 CG2 ILE A 22 13.393 -8.089 16.106 1.00 1.13 C ATOM 309 CD1 ILE A 22 11.391 -10.040 17.113 1.00 71.52 C ATOM 0 H ILE A 22 14.338 -11.947 15.726 1.00 4.23 H new ATOM 0 HA ILE A 22 12.408 -10.236 14.615 1.00 73.14 H new ATOM 0 HB ILE A 22 14.771 -9.680 16.454 1.00 0.41 H new ATOM 0 HG12 ILE A 22 13.094 -11.312 17.290 1.00 20.45 H new ATOM 0 HG13 ILE A 22 13.182 -9.852 18.255 1.00 20.45 H new ATOM 0 HG21 ILE A 22 13.570 -7.620 17.074 1.00 1.13 H new ATOM 0 HG22 ILE A 22 14.029 -7.621 15.354 1.00 1.13 H new ATOM 0 HG23 ILE A 22 12.347 -7.962 15.827 1.00 1.13 H new ATOM 0 HD11 ILE A 22 10.860 -10.542 17.922 1.00 71.52 H new ATOM 0 HD12 ILE A 22 11.164 -8.974 17.137 1.00 71.52 H new ATOM 0 HD13 ILE A 22 11.074 -10.457 16.157 1.00 71.52 H new ATOM 321 N SER A 23 15.515 -9.797 13.609 1.00 45.10 N ATOM 322 CA SER A 23 16.350 -9.138 12.611 1.00 70.00 C ATOM 323 C SER A 23 15.989 -9.608 11.205 1.00 23.41 C ATOM 324 O SER A 23 16.146 -8.870 10.232 1.00 32.45 O ATOM 325 CB SER A 23 17.829 -9.414 12.890 1.00 52.34 C ATOM 326 OG SER A 23 18.646 -8.372 12.385 1.00 53.34 O ATOM 0 H SER A 23 16.001 -10.496 14.171 1.00 45.10 H new ATOM 0 HA SER A 23 16.170 -8.065 12.674 1.00 70.00 H new ATOM 0 HB2 SER A 23 17.987 -9.516 13.964 1.00 52.34 H new ATOM 0 HB3 SER A 23 18.118 -10.361 12.434 1.00 52.34 H new ATOM 0 HG SER A 23 19.586 -8.571 12.577 1.00 53.34 H new ATOM 332 N SER A 24 15.506 -10.843 11.107 1.00 54.52 N ATOM 333 CA SER A 24 15.126 -11.414 9.820 1.00 32.43 C ATOM 334 C SER A 24 14.101 -10.531 9.114 1.00 22.35 C ATOM 335 O SER A 24 14.257 -10.197 7.940 1.00 25.25 O ATOM 336 CB SER A 24 14.557 -12.822 10.012 1.00 41.33 C ATOM 337 OG SER A 24 14.190 -13.397 8.770 1.00 42.23 O ATOM 0 H SER A 24 15.369 -11.466 11.903 1.00 54.52 H new ATOM 0 HA SER A 24 16.019 -11.471 9.198 1.00 32.43 H new ATOM 0 HB2 SER A 24 15.297 -13.453 10.504 1.00 41.33 H new ATOM 0 HB3 SER A 24 13.688 -12.780 10.668 1.00 41.33 H new ATOM 0 HG SER A 24 13.831 -14.297 8.919 1.00 42.23 H new ATOM 343 N ALA A 25 13.052 -10.157 9.840 1.00 63.12 N ATOM 344 CA ALA A 25 12.003 -9.312 9.285 1.00 14.52 C ATOM 345 C ALA A 25 12.416 -7.844 9.298 1.00 13.33 C ATOM 346 O ALA A 25 11.944 -7.049 8.486 1.00 54.24 O ATOM 347 CB ALA A 25 10.706 -9.504 10.058 1.00 4.15 C ATOM 0 H ALA A 25 12.907 -10.426 10.813 1.00 63.12 H new ATOM 0 HA ALA A 25 11.843 -9.608 8.248 1.00 14.52 H new ATOM 0 HB1 ALA A 25 9.931 -8.867 9.632 1.00 4.15 H new ATOM 0 HB2 ALA A 25 10.395 -10.547 9.993 1.00 4.15 H new ATOM 0 HB3 ALA A 25 10.862 -9.237 11.103 1.00 4.15 H new ATOM 353 N SER A 26 13.299 -7.491 10.226 1.00 3.44 N ATOM 354 CA SER A 26 13.773 -6.117 10.348 1.00 55.31 C ATOM 355 C SER A 26 14.418 -5.647 9.047 1.00 33.35 C ATOM 356 O SER A 26 14.198 -4.520 8.603 1.00 64.42 O ATOM 357 CB SER A 26 14.774 -6.000 11.499 1.00 50.24 C ATOM 358 OG SER A 26 16.065 -6.425 11.097 1.00 75.33 O ATOM 0 H SER A 26 13.701 -8.137 10.905 1.00 3.44 H new ATOM 0 HA SER A 26 12.914 -5.480 10.558 1.00 55.31 H new ATOM 0 HB2 SER A 26 14.819 -4.967 11.843 1.00 50.24 H new ATOM 0 HB3 SER A 26 14.436 -6.602 12.342 1.00 50.24 H new ATOM 0 HG SER A 26 15.995 -7.281 10.625 1.00 75.33 H new ATOM 364 N LYS A 27 15.215 -6.520 8.442 1.00 64.34 N ATOM 365 CA LYS A 27 15.893 -6.198 7.191 1.00 21.53 C ATOM 366 C LYS A 27 14.885 -5.967 6.070 1.00 2.11 C ATOM 367 O LYS A 27 15.104 -5.137 5.188 1.00 64.14 O ATOM 368 CB LYS A 27 16.854 -7.325 6.803 1.00 13.14 C ATOM 369 CG LYS A 27 18.168 -7.293 7.564 1.00 13.15 C ATOM 370 CD LYS A 27 18.687 -8.694 7.840 1.00 34.14 C ATOM 371 CE LYS A 27 20.132 -8.670 8.312 1.00 24.13 C ATOM 372 NZ LYS A 27 20.704 -10.041 8.419 1.00 71.13 N ATOM 0 H LYS A 27 15.408 -7.457 8.797 1.00 64.34 H new ATOM 0 HA LYS A 27 16.461 -5.280 7.340 1.00 21.53 H new ATOM 0 HB2 LYS A 27 16.366 -8.284 6.978 1.00 13.14 H new ATOM 0 HB3 LYS A 27 17.061 -7.263 5.735 1.00 13.14 H new ATOM 0 HG2 LYS A 27 18.909 -6.736 6.990 1.00 13.15 H new ATOM 0 HG3 LYS A 27 18.031 -6.763 8.506 1.00 13.15 H new ATOM 0 HD2 LYS A 27 18.064 -9.171 8.596 1.00 34.14 H new ATOM 0 HD3 LYS A 27 18.609 -9.297 6.935 1.00 34.14 H new ATOM 0 HE2 LYS A 27 20.731 -8.080 7.618 1.00 24.13 H new ATOM 0 HE3 LYS A 27 20.189 -8.176 9.282 1.00 24.13 H new ATOM 0 HZ1 LYS A 27 21.690 -9.981 8.744 1.00 71.13 H new ATOM 0 HZ2 LYS A 27 20.148 -10.597 9.100 1.00 71.13 H new ATOM 0 HZ3 LYS A 27 20.673 -10.504 7.488 1.00 71.13 H new ATOM 386 N TRP A 28 13.781 -6.704 6.112 1.00 2.21 N ATOM 387 CA TRP A 28 12.739 -6.577 5.100 1.00 51.13 C ATOM 388 C TRP A 28 12.031 -5.231 5.213 1.00 61.22 C ATOM 389 O TRP A 28 11.931 -4.487 4.236 1.00 30.22 O ATOM 390 CB TRP A 28 11.725 -7.714 5.237 1.00 13.31 C ATOM 391 CG TRP A 28 10.790 -7.820 4.070 1.00 22.22 C ATOM 392 CD1 TRP A 28 11.133 -7.904 2.751 1.00 53.12 C ATOM 393 CD2 TRP A 28 9.360 -7.852 4.118 1.00 34.42 C ATOM 394 NE1 TRP A 28 10.001 -7.986 1.976 1.00 61.23 N ATOM 395 CE2 TRP A 28 8.901 -7.958 2.791 1.00 55.54 C ATOM 396 CE3 TRP A 28 8.422 -7.805 5.153 1.00 11.12 C ATOM 397 CZ2 TRP A 28 7.546 -8.014 2.474 1.00 31.31 C ATOM 398 CZ3 TRP A 28 7.078 -7.861 4.837 1.00 12.04 C ATOM 399 CH2 TRP A 28 6.650 -7.966 3.507 1.00 12.42 C ATOM 0 H TRP A 28 13.584 -7.395 6.836 1.00 2.21 H new ATOM 0 HA TRP A 28 13.211 -6.637 4.119 1.00 51.13 H new ATOM 0 HB2 TRP A 28 12.260 -8.657 5.351 1.00 13.31 H new ATOM 0 HB3 TRP A 28 11.144 -7.565 6.147 1.00 13.31 H new ATOM 0 HD1 TRP A 28 12.145 -7.906 2.373 1.00 53.12 H new ATOM 0 HE1 TRP A 28 9.983 -8.056 0.959 1.00 61.23 H new ATOM 0 HE3 TRP A 28 8.742 -7.726 6.182 1.00 11.12 H new ATOM 0 HZ2 TRP A 28 7.214 -8.093 1.449 1.00 31.31 H new ATOM 0 HZ3 TRP A 28 6.345 -7.823 5.629 1.00 12.04 H new ATOM 0 HH2 TRP A 28 5.592 -8.010 3.293 1.00 12.42 H new ATOM 410 N LEU A 29 11.542 -4.924 6.409 1.00 53.21 N ATOM 411 CA LEU A 29 10.843 -3.666 6.649 1.00 32.04 C ATOM 412 C LEU A 29 11.797 -2.482 6.532 1.00 50.22 C ATOM 413 O LEU A 29 11.417 -1.409 6.062 1.00 52.34 O ATOM 414 CB LEU A 29 10.194 -3.677 8.035 1.00 71.24 C ATOM 415 CG LEU A 29 9.032 -4.653 8.223 1.00 13.35 C ATOM 416 CD1 LEU A 29 9.043 -5.230 9.630 1.00 33.13 C ATOM 417 CD2 LEU A 29 7.705 -3.964 7.938 1.00 3.41 C ATOM 0 H LEU A 29 11.616 -5.528 7.227 1.00 53.21 H new ATOM 0 HA LEU A 29 10.067 -3.560 5.891 1.00 32.04 H new ATOM 0 HB2 LEU A 29 10.962 -3.911 8.772 1.00 71.24 H new ATOM 0 HB3 LEU A 29 9.837 -2.671 8.255 1.00 71.24 H new ATOM 0 HG LEU A 29 9.153 -5.473 7.515 1.00 13.35 H new ATOM 0 HD11 LEU A 29 8.209 -5.922 9.746 1.00 33.13 H new ATOM 0 HD12 LEU A 29 9.981 -5.760 9.799 1.00 33.13 H new ATOM 0 HD13 LEU A 29 8.947 -4.422 10.355 1.00 33.13 H new ATOM 0 HD21 LEU A 29 6.889 -4.674 8.077 1.00 3.41 H new ATOM 0 HD22 LEU A 29 7.576 -3.125 8.622 1.00 3.41 H new ATOM 0 HD23 LEU A 29 7.698 -3.599 6.911 1.00 3.41 H new ATOM 429 N LEU A 30 13.038 -2.684 6.960 1.00 62.23 N ATOM 430 CA LEU A 30 14.049 -1.634 6.900 1.00 13.35 C ATOM 431 C LEU A 30 14.227 -1.129 5.472 1.00 33.20 C ATOM 432 O LEU A 30 14.544 0.040 5.250 1.00 3.01 O ATOM 433 CB LEU A 30 15.383 -2.151 7.441 1.00 70.34 C ATOM 434 CG LEU A 30 16.547 -1.160 7.417 1.00 13.42 C ATOM 435 CD1 LEU A 30 16.136 0.160 8.051 1.00 52.41 C ATOM 436 CD2 LEU A 30 17.758 -1.742 8.131 1.00 10.20 C ATOM 0 H LEU A 30 13.369 -3.565 7.353 1.00 62.23 H new ATOM 0 HA LEU A 30 13.711 -0.803 7.519 1.00 13.35 H new ATOM 0 HB2 LEU A 30 15.232 -2.479 8.470 1.00 70.34 H new ATOM 0 HB3 LEU A 30 15.669 -3.031 6.865 1.00 70.34 H new ATOM 0 HG LEU A 30 16.818 -0.972 6.378 1.00 13.42 H new ATOM 0 HD11 LEU A 30 16.977 0.853 8.025 1.00 52.41 H new ATOM 0 HD12 LEU A 30 15.299 0.584 7.497 1.00 52.41 H new ATOM 0 HD13 LEU A 30 15.838 -0.010 9.085 1.00 52.41 H new ATOM 0 HD21 LEU A 30 18.577 -1.023 8.104 1.00 10.20 H new ATOM 0 HD22 LEU A 30 17.500 -1.959 9.167 1.00 10.20 H new ATOM 0 HD23 LEU A 30 18.066 -2.662 7.634 1.00 10.20 H new ATOM 448 N LEU A 31 14.018 -2.017 4.506 1.00 20.34 N ATOM 449 CA LEU A 31 14.153 -1.662 3.098 1.00 50.11 C ATOM 450 C LEU A 31 12.810 -1.240 2.512 1.00 55.13 C ATOM 451 O LEU A 31 12.656 -1.144 1.294 1.00 2.24 O ATOM 452 CB LEU A 31 14.720 -2.841 2.306 1.00 30.40 C ATOM 453 CG LEU A 31 16.244 -2.904 2.193 1.00 54.51 C ATOM 454 CD1 LEU A 31 16.863 -3.287 3.528 1.00 72.52 C ATOM 455 CD2 LEU A 31 16.658 -3.887 1.108 1.00 2.10 C ATOM 0 H LEU A 31 13.754 -2.988 4.672 1.00 20.34 H new ATOM 0 HA LEU A 31 14.841 -0.820 3.026 1.00 50.11 H new ATOM 0 HB2 LEU A 31 14.372 -3.764 2.769 1.00 30.40 H new ATOM 0 HB3 LEU A 31 14.302 -2.811 1.300 1.00 30.40 H new ATOM 0 HG LEU A 31 16.610 -1.915 1.917 1.00 54.51 H new ATOM 0 HD11 LEU A 31 17.948 -3.327 3.428 1.00 72.52 H new ATOM 0 HD12 LEU A 31 16.595 -2.545 4.280 1.00 72.52 H new ATOM 0 HD13 LEU A 31 16.491 -4.265 3.835 1.00 72.52 H new ATOM 0 HD21 LEU A 31 17.746 -3.919 1.042 1.00 2.10 H new ATOM 0 HD22 LEU A 31 16.280 -4.880 1.353 1.00 2.10 H new ATOM 0 HD23 LEU A 31 16.245 -3.568 0.151 1.00 2.10 H new ATOM 467 N GLN A 32 11.841 -0.987 3.386 1.00 21.43 N ATOM 468 CA GLN A 32 10.511 -0.574 2.954 1.00 2.05 C ATOM 469 C GLN A 32 10.223 0.862 3.380 1.00 73.12 C ATOM 470 O GLN A 32 9.101 1.192 3.765 1.00 11.31 O ATOM 471 CB GLN A 32 9.450 -1.512 3.532 1.00 71.45 C ATOM 472 CG GLN A 32 9.550 -2.937 3.011 1.00 21.34 C ATOM 473 CD GLN A 32 8.655 -3.185 1.813 1.00 22.42 C ATOM 474 OE1 GLN A 32 7.436 -3.297 1.947 1.00 42.33 O ATOM 475 NE2 GLN A 32 9.257 -3.274 0.633 1.00 51.53 N ATOM 0 H GLN A 32 11.952 -1.061 4.397 1.00 21.43 H new ATOM 0 HA GLN A 32 10.477 -0.625 1.866 1.00 2.05 H new ATOM 0 HB2 GLN A 32 9.540 -1.524 4.618 1.00 71.45 H new ATOM 0 HB3 GLN A 32 8.461 -1.117 3.298 1.00 71.45 H new ATOM 0 HG2 GLN A 32 10.584 -3.148 2.737 1.00 21.34 H new ATOM 0 HG3 GLN A 32 9.284 -3.631 3.808 1.00 21.34 H new ATOM 0 HE21 GLN A 32 10.270 -3.175 0.569 1.00 51.53 H new ATOM 0 HE22 GLN A 32 8.706 -3.442 -0.209 1.00 51.53 H new ATOM 484 N TYR A 33 11.242 1.711 3.308 1.00 73.14 N ATOM 485 CA TYR A 33 11.098 3.111 3.688 1.00 42.21 C ATOM 486 C TYR A 33 9.977 3.778 2.897 1.00 0.41 C ATOM 487 O TYR A 33 9.392 4.767 3.341 1.00 62.40 O ATOM 488 CB TYR A 33 12.413 3.860 3.462 1.00 54.24 C ATOM 489 CG TYR A 33 13.018 3.622 2.097 1.00 53.35 C ATOM 490 CD1 TYR A 33 12.483 4.222 0.963 1.00 13.24 C ATOM 491 CD2 TYR A 33 14.126 2.798 1.940 1.00 14.23 C ATOM 492 CE1 TYR A 33 13.032 4.007 -0.286 1.00 20.13 C ATOM 493 CE2 TYR A 33 14.682 2.578 0.695 1.00 4.43 C ATOM 494 CZ TYR A 33 14.132 3.185 -0.415 1.00 32.54 C ATOM 495 OH TYR A 33 14.683 2.969 -1.657 1.00 32.31 O ATOM 0 H TYR A 33 12.177 1.454 2.990 1.00 73.14 H new ATOM 0 HA TYR A 33 10.843 3.149 4.747 1.00 42.21 H new ATOM 0 HB2 TYR A 33 12.240 4.928 3.592 1.00 54.24 H new ATOM 0 HB3 TYR A 33 13.130 3.558 4.226 1.00 54.24 H new ATOM 0 HD1 TYR A 33 11.623 4.868 1.060 1.00 13.24 H new ATOM 0 HD2 TYR A 33 14.560 2.321 2.807 1.00 14.23 H new ATOM 0 HE1 TYR A 33 12.602 4.480 -1.157 1.00 20.13 H new ATOM 0 HE2 TYR A 33 15.543 1.934 0.591 1.00 4.43 H new ATOM 0 HH TYR A 33 15.452 2.367 -1.574 1.00 32.31 H new ATOM 505 N ARG A 34 9.683 3.230 1.723 1.00 73.11 N ATOM 506 CA ARG A 34 8.632 3.771 0.869 1.00 63.03 C ATOM 507 C ARG A 34 7.254 3.509 1.469 1.00 23.22 C ATOM 508 O ARG A 34 6.316 4.277 1.254 1.00 23.34 O ATOM 509 CB ARG A 34 8.716 3.157 -0.530 1.00 21.00 C ATOM 510 CG ARG A 34 8.710 1.637 -0.529 1.00 43.02 C ATOM 511 CD ARG A 34 8.657 1.079 -1.943 1.00 43.50 C ATOM 512 NE ARG A 34 7.503 1.578 -2.685 1.00 52.43 N ATOM 513 CZ ARG A 34 7.408 1.540 -4.010 1.00 2.33 C ATOM 514 NH1 ARG A 34 8.394 1.029 -4.734 1.00 22.34 N ATOM 515 NH2 ARG A 34 6.325 2.014 -4.613 1.00 3.03 N ATOM 0 H ARG A 34 10.157 2.412 1.341 1.00 73.11 H new ATOM 0 HA ARG A 34 8.778 4.849 0.795 1.00 63.03 H new ATOM 0 HB2 ARG A 34 7.876 3.515 -1.126 1.00 21.00 H new ATOM 0 HB3 ARG A 34 9.625 3.508 -1.018 1.00 21.00 H new ATOM 0 HG2 ARG A 34 9.603 1.269 -0.025 1.00 43.02 H new ATOM 0 HG3 ARG A 34 7.852 1.276 0.038 1.00 43.02 H new ATOM 0 HD2 ARG A 34 9.572 1.346 -2.473 1.00 43.50 H new ATOM 0 HD3 ARG A 34 8.619 -0.010 -1.902 1.00 43.50 H new ATOM 0 HE ARG A 34 6.727 1.978 -2.157 1.00 52.43 H new ATOM 0 HH11 ARG A 34 9.228 0.664 -4.274 1.00 22.34 H new ATOM 0 HH12 ARG A 34 8.319 1.001 -5.751 1.00 22.34 H new ATOM 0 HH21 ARG A 34 5.564 2.408 -4.059 1.00 3.03 H new ATOM 0 HH22 ARG A 34 6.253 1.984 -5.630 1.00 3.03 H new ATOM 529 N ASP A 35 7.140 2.420 2.221 1.00 20.15 N ATOM 530 CA ASP A 35 5.877 2.056 2.854 1.00 41.44 C ATOM 531 C ASP A 35 5.879 2.438 4.331 1.00 62.23 C ATOM 532 O ASP A 35 5.323 1.726 5.166 1.00 13.33 O ATOM 533 CB ASP A 35 5.619 0.556 2.702 1.00 44.52 C ATOM 534 CG ASP A 35 6.129 0.012 1.382 1.00 43.11 C ATOM 535 OD1 ASP A 35 5.561 0.375 0.331 1.00 53.13 O ATOM 536 OD2 ASP A 35 7.097 -0.776 1.400 1.00 23.20 O ATOM 0 H ASP A 35 7.907 1.774 2.407 1.00 20.15 H new ATOM 0 HA ASP A 35 5.078 2.606 2.357 1.00 41.44 H new ATOM 0 HB2 ASP A 35 6.100 0.023 3.522 1.00 44.52 H new ATOM 0 HB3 ASP A 35 4.549 0.364 2.782 1.00 44.52 H new ATOM 541 N ALA A 36 6.510 3.565 4.645 1.00 72.23 N ATOM 542 CA ALA A 36 6.584 4.041 6.020 1.00 14.13 C ATOM 543 C ALA A 36 5.199 4.101 6.655 1.00 14.15 C ATOM 544 O ALA A 36 4.918 3.438 7.655 1.00 41.55 O ATOM 545 CB ALA A 36 7.249 5.408 6.070 1.00 10.53 C ATOM 0 H ALA A 36 6.977 4.165 3.965 1.00 72.23 H new ATOM 0 HA ALA A 36 7.187 3.335 6.591 1.00 14.13 H new ATOM 0 HB1 ALA A 36 7.298 5.751 7.103 1.00 10.53 H new ATOM 0 HB2 ALA A 36 8.258 5.337 5.663 1.00 10.53 H new ATOM 0 HB3 ALA A 36 6.669 6.117 5.479 1.00 10.53 H new ATOM 551 N PRO A 37 4.310 4.914 6.065 1.00 44.23 N ATOM 552 CA PRO A 37 2.940 5.080 6.557 1.00 55.14 C ATOM 553 C PRO A 37 2.090 3.833 6.338 1.00 63.42 C ATOM 554 O PRO A 37 1.189 3.536 7.123 1.00 43.50 O ATOM 555 CB PRO A 37 2.402 6.246 5.723 1.00 61.23 C ATOM 556 CG PRO A 37 3.210 6.221 4.472 1.00 45.14 C ATOM 557 CD PRO A 37 4.576 5.734 4.871 1.00 60.04 C ATOM 0 HA PRO A 37 2.912 5.258 7.632 1.00 55.14 H new ATOM 0 HB2 PRO A 37 1.340 6.124 5.511 1.00 61.23 H new ATOM 0 HB3 PRO A 37 2.515 7.194 6.249 1.00 61.23 H new ATOM 0 HG2 PRO A 37 2.761 5.560 3.731 1.00 45.14 H new ATOM 0 HG3 PRO A 37 3.265 7.213 4.023 1.00 45.14 H new ATOM 0 HD2 PRO A 37 5.042 5.149 4.078 1.00 60.04 H new ATOM 0 HD3 PRO A 37 5.249 6.562 5.094 1.00 60.04 H new ATOM 565 N LYS A 38 2.383 3.104 5.266 1.00 21.42 N ATOM 566 CA LYS A 38 1.648 1.886 4.944 1.00 10.32 C ATOM 567 C LYS A 38 1.853 0.826 6.021 1.00 21.22 C ATOM 568 O LYS A 38 0.891 0.311 6.591 1.00 72.33 O ATOM 569 CB LYS A 38 2.094 1.341 3.585 1.00 14.24 C ATOM 570 CG LYS A 38 1.252 1.840 2.424 1.00 15.30 C ATOM 571 CD LYS A 38 -0.153 1.261 2.464 1.00 65.34 C ATOM 572 CE LYS A 38 -0.257 -0.004 1.626 1.00 70.52 C ATOM 573 NZ LYS A 38 -0.171 -1.233 2.463 1.00 10.12 N ATOM 0 H LYS A 38 3.125 3.336 4.605 1.00 21.42 H new ATOM 0 HA LYS A 38 0.587 2.133 4.899 1.00 10.32 H new ATOM 0 HB2 LYS A 38 3.134 1.619 3.415 1.00 14.24 H new ATOM 0 HB3 LYS A 38 2.055 0.252 3.609 1.00 14.24 H new ATOM 0 HG2 LYS A 38 1.199 2.928 2.453 1.00 15.30 H new ATOM 0 HG3 LYS A 38 1.731 1.569 1.483 1.00 15.30 H new ATOM 0 HD2 LYS A 38 -0.427 1.039 3.495 1.00 65.34 H new ATOM 0 HD3 LYS A 38 -0.864 2.002 2.097 1.00 65.34 H new ATOM 0 HE2 LYS A 38 -1.201 -0.002 1.080 1.00 70.52 H new ATOM 0 HE3 LYS A 38 0.541 -0.014 0.883 1.00 70.52 H new ATOM 0 HZ1 LYS A 38 0.753 -1.688 2.318 1.00 10.12 H new ATOM 0 HZ2 LYS A 38 -0.278 -0.978 3.466 1.00 10.12 H new ATOM 0 HZ3 LYS A 38 -0.928 -1.892 2.191 1.00 10.12 H new ATOM 587 N VAL A 39 3.113 0.505 6.297 1.00 22.20 N ATOM 588 CA VAL A 39 3.444 -0.492 7.308 1.00 64.42 C ATOM 589 C VAL A 39 2.991 -0.043 8.692 1.00 4.13 C ATOM 590 O VAL A 39 2.503 -0.845 9.488 1.00 64.23 O ATOM 591 CB VAL A 39 4.958 -0.776 7.342 1.00 50.22 C ATOM 592 CG1 VAL A 39 5.266 -1.917 8.299 1.00 4.23 C ATOM 593 CG2 VAL A 39 5.473 -1.087 5.945 1.00 72.33 C ATOM 0 H VAL A 39 3.921 0.921 5.835 1.00 22.20 H new ATOM 0 HA VAL A 39 2.916 -1.406 7.035 1.00 64.42 H new ATOM 0 HB VAL A 39 5.469 0.117 7.703 1.00 50.22 H new ATOM 0 HG11 VAL A 39 6.340 -2.103 8.310 1.00 4.23 H new ATOM 0 HG12 VAL A 39 4.934 -1.650 9.302 1.00 4.23 H new ATOM 0 HG13 VAL A 39 4.745 -2.817 7.972 1.00 4.23 H new ATOM 0 HG21 VAL A 39 6.544 -1.285 5.988 1.00 72.33 H new ATOM 0 HG22 VAL A 39 4.957 -1.964 5.554 1.00 72.33 H new ATOM 0 HG23 VAL A 39 5.287 -0.235 5.291 1.00 72.33 H new ATOM 603 N ALA A 40 3.156 1.246 8.973 1.00 31.54 N ATOM 604 CA ALA A 40 2.762 1.803 10.261 1.00 35.12 C ATOM 605 C ALA A 40 1.255 1.691 10.469 1.00 10.44 C ATOM 606 O ALA A 40 0.795 1.306 11.544 1.00 41.32 O ATOM 607 CB ALA A 40 3.205 3.255 10.366 1.00 32.40 C ATOM 0 H ALA A 40 3.560 1.923 8.326 1.00 31.54 H new ATOM 0 HA ALA A 40 3.255 1.227 11.044 1.00 35.12 H new ATOM 0 HB1 ALA A 40 2.904 3.658 11.333 1.00 32.40 H new ATOM 0 HB2 ALA A 40 4.289 3.312 10.270 1.00 32.40 H new ATOM 0 HB3 ALA A 40 2.739 3.836 9.570 1.00 32.40 H new ATOM 613 N GLU A 41 0.492 2.032 9.435 1.00 24.30 N ATOM 614 CA GLU A 41 -0.963 1.971 9.507 1.00 63.21 C ATOM 615 C GLU A 41 -1.439 0.532 9.688 1.00 43.31 C ATOM 616 O GLU A 41 -2.267 0.246 10.552 1.00 25.51 O ATOM 617 CB GLU A 41 -1.583 2.570 8.243 1.00 34.21 C ATOM 618 CG GLU A 41 -3.070 2.858 8.373 1.00 63.02 C ATOM 619 CD GLU A 41 -3.723 3.163 7.039 1.00 53.10 C ATOM 620 OE1 GLU A 41 -4.147 2.209 6.353 1.00 11.44 O ATOM 621 OE2 GLU A 41 -3.811 4.356 6.681 1.00 0.52 O ATOM 0 H GLU A 41 0.857 2.353 8.538 1.00 24.30 H new ATOM 0 HA GLU A 41 -1.284 2.553 10.371 1.00 63.21 H new ATOM 0 HB2 GLU A 41 -1.062 3.495 7.996 1.00 34.21 H new ATOM 0 HB3 GLU A 41 -1.426 1.884 7.411 1.00 34.21 H new ATOM 0 HG2 GLU A 41 -3.564 1.999 8.828 1.00 63.02 H new ATOM 0 HG3 GLU A 41 -3.215 3.703 9.046 1.00 63.02 H new ATOM 628 N MET A 42 -0.910 -0.368 8.866 1.00 45.34 N ATOM 629 CA MET A 42 -1.280 -1.777 8.935 1.00 44.40 C ATOM 630 C MET A 42 -0.877 -2.379 10.277 1.00 23.02 C ATOM 631 O MET A 42 -1.690 -3.005 10.956 1.00 35.40 O ATOM 632 CB MET A 42 -0.621 -2.556 7.795 1.00 51.32 C ATOM 633 CG MET A 42 -1.500 -3.656 7.224 1.00 74.25 C ATOM 634 SD MET A 42 -1.824 -4.974 8.411 1.00 11.43 S ATOM 635 CE MET A 42 -0.156 -5.510 8.785 1.00 15.20 C ATOM 0 H MET A 42 -0.224 -0.147 8.144 1.00 45.34 H new ATOM 0 HA MET A 42 -2.363 -1.848 8.835 1.00 44.40 H new ATOM 0 HB2 MET A 42 -0.357 -1.862 6.997 1.00 51.32 H new ATOM 0 HB3 MET A 42 0.309 -2.996 8.156 1.00 51.32 H new ATOM 0 HG2 MET A 42 -2.447 -3.226 6.897 1.00 74.25 H new ATOM 0 HG3 MET A 42 -1.020 -4.078 6.341 1.00 74.25 H new ATOM 0 HE1 MET A 42 -0.189 -6.468 9.303 1.00 15.20 H new ATOM 0 HE2 MET A 42 0.408 -5.618 7.858 1.00 15.20 H new ATOM 0 HE3 MET A 42 0.330 -4.770 9.421 1.00 15.20 H new ATOM 645 N TRP A 43 0.382 -2.186 10.653 1.00 43.20 N ATOM 646 CA TRP A 43 0.892 -2.711 11.915 1.00 44.15 C ATOM 647 C TRP A 43 0.023 -2.261 13.083 1.00 54.40 C ATOM 648 O TRP A 43 -0.450 -3.080 13.871 1.00 64.52 O ATOM 649 CB TRP A 43 2.337 -2.257 12.133 1.00 54.11 C ATOM 650 CG TRP A 43 2.955 -2.821 13.376 1.00 11.23 C ATOM 651 CD1 TRP A 43 3.567 -4.034 13.510 1.00 72.55 C ATOM 652 CD2 TRP A 43 3.019 -2.194 14.662 1.00 43.53 C ATOM 653 NE1 TRP A 43 4.008 -4.199 14.800 1.00 33.54 N ATOM 654 CE2 TRP A 43 3.685 -3.084 15.527 1.00 51.11 C ATOM 655 CE3 TRP A 43 2.582 -0.966 15.166 1.00 54.24 C ATOM 656 CZ2 TRP A 43 3.920 -2.784 16.866 1.00 44.11 C ATOM 657 CZ3 TRP A 43 2.816 -0.670 16.495 1.00 52.31 C ATOM 658 CH2 TRP A 43 3.481 -1.575 17.333 1.00 51.15 C ATOM 0 H TRP A 43 1.068 -1.670 10.103 1.00 43.20 H new ATOM 0 HA TRP A 43 0.864 -3.799 11.865 1.00 44.15 H new ATOM 0 HB2 TRP A 43 2.937 -2.551 11.272 1.00 54.11 H new ATOM 0 HB3 TRP A 43 2.365 -1.169 12.184 1.00 54.11 H new ATOM 0 HD1 TRP A 43 3.687 -4.758 12.717 1.00 72.55 H new ATOM 0 HE1 TRP A 43 4.497 -5.019 15.159 1.00 33.54 H new ATOM 0 HE3 TRP A 43 2.070 -0.261 14.528 1.00 54.24 H new ATOM 0 HZ2 TRP A 43 4.431 -3.481 17.514 1.00 44.11 H new ATOM 0 HZ3 TRP A 43 2.481 0.275 16.895 1.00 52.31 H new ATOM 0 HH2 TRP A 43 3.650 -1.313 18.367 1.00 51.15 H new ATOM 669 N LYS A 44 -0.186 -0.953 13.190 1.00 10.21 N ATOM 670 CA LYS A 44 -1.001 -0.393 14.262 1.00 43.32 C ATOM 671 C LYS A 44 -2.409 -0.977 14.237 1.00 74.32 C ATOM 672 O LYS A 44 -2.867 -1.558 15.220 1.00 12.44 O ATOM 673 CB LYS A 44 -1.067 1.131 14.137 1.00 51.12 C ATOM 674 CG LYS A 44 -2.109 1.771 15.038 1.00 22.55 C ATOM 675 CD LYS A 44 -2.122 3.283 14.890 1.00 30.31 C ATOM 676 CE LYS A 44 -3.474 3.868 15.267 1.00 33.12 C ATOM 677 NZ LYS A 44 -4.523 3.533 14.264 1.00 22.12 N ATOM 0 H LYS A 44 0.198 -0.261 12.547 1.00 10.21 H new ATOM 0 HA LYS A 44 -0.536 -0.654 15.213 1.00 43.32 H new ATOM 0 HB2 LYS A 44 -0.089 1.549 14.373 1.00 51.12 H new ATOM 0 HB3 LYS A 44 -1.284 1.393 13.101 1.00 51.12 H new ATOM 0 HG2 LYS A 44 -3.094 1.373 14.796 1.00 22.55 H new ATOM 0 HG3 LYS A 44 -1.905 1.508 16.076 1.00 22.55 H new ATOM 0 HD2 LYS A 44 -1.347 3.718 15.521 1.00 30.31 H new ATOM 0 HD3 LYS A 44 -1.883 3.551 13.861 1.00 30.31 H new ATOM 0 HE2 LYS A 44 -3.773 3.491 16.245 1.00 33.12 H new ATOM 0 HE3 LYS A 44 -3.389 4.951 15.356 1.00 33.12 H new ATOM 0 HZ1 LYS A 44 -5.316 4.200 14.355 1.00 22.12 H new ATOM 0 HZ2 LYS A 44 -4.122 3.601 13.307 1.00 22.12 H new ATOM 0 HZ3 LYS A 44 -4.864 2.564 14.429 1.00 22.12 H new ATOM 691 N GLU A 45 -3.090 -0.821 13.106 1.00 71.04 N ATOM 692 CA GLU A 45 -4.446 -1.335 12.954 1.00 54.40 C ATOM 693 C GLU A 45 -4.512 -2.815 13.320 1.00 42.42 C ATOM 694 O GLU A 45 -5.546 -3.309 13.770 1.00 41.04 O ATOM 695 CB GLU A 45 -4.935 -1.131 11.518 1.00 12.24 C ATOM 696 CG GLU A 45 -5.624 0.205 11.294 1.00 63.13 C ATOM 697 CD GLU A 45 -6.340 0.275 9.959 1.00 64.02 C ATOM 698 OE1 GLU A 45 -7.008 -0.714 9.592 1.00 32.23 O ATOM 699 OE2 GLU A 45 -6.231 1.318 9.281 1.00 72.12 O ATOM 0 H GLU A 45 -2.725 -0.343 12.282 1.00 71.04 H new ATOM 0 HA GLU A 45 -5.095 -0.782 13.633 1.00 54.40 H new ATOM 0 HB2 GLU A 45 -4.086 -1.211 10.839 1.00 12.24 H new ATOM 0 HB3 GLU A 45 -5.626 -1.934 11.261 1.00 12.24 H new ATOM 0 HG2 GLU A 45 -6.341 0.379 12.096 1.00 63.13 H new ATOM 0 HG3 GLU A 45 -4.885 1.004 11.348 1.00 63.13 H new ATOM 706 N TYR A 46 -3.401 -3.516 13.123 1.00 31.01 N ATOM 707 CA TYR A 46 -3.332 -4.940 13.429 1.00 11.00 C ATOM 708 C TYR A 46 -3.073 -5.166 14.915 1.00 11.15 C ATOM 709 O TYR A 46 -3.581 -6.118 15.508 1.00 42.15 O ATOM 710 CB TYR A 46 -2.233 -5.608 12.601 1.00 31.22 C ATOM 711 CG TYR A 46 -1.821 -6.966 13.125 1.00 53.43 C ATOM 712 CD1 TYR A 46 -2.504 -8.115 12.745 1.00 4.24 C ATOM 713 CD2 TYR A 46 -0.749 -7.099 13.998 1.00 2.21 C ATOM 714 CE1 TYR A 46 -2.131 -9.357 13.222 1.00 52.21 C ATOM 715 CE2 TYR A 46 -0.368 -8.337 14.479 1.00 53.15 C ATOM 716 CZ TYR A 46 -1.063 -9.463 14.088 1.00 41.30 C ATOM 717 OH TYR A 46 -0.688 -10.698 14.564 1.00 61.32 O ATOM 0 H TYR A 46 -2.536 -3.122 12.753 1.00 31.01 H new ATOM 0 HA TYR A 46 -4.293 -5.387 13.174 1.00 11.00 H new ATOM 0 HB2 TYR A 46 -2.578 -5.714 11.573 1.00 31.22 H new ATOM 0 HB3 TYR A 46 -1.360 -4.956 12.578 1.00 31.22 H new ATOM 0 HD1 TYR A 46 -3.340 -8.036 12.066 1.00 4.24 H new ATOM 0 HD2 TYR A 46 -0.204 -6.219 14.306 1.00 2.21 H new ATOM 0 HE1 TYR A 46 -2.673 -10.240 12.918 1.00 52.21 H new ATOM 0 HE2 TYR A 46 0.469 -8.423 15.157 1.00 53.15 H new ATOM 0 HH TYR A 46 -0.994 -11.394 13.946 1.00 61.32 H new ATOM 727 N MET A 47 -2.280 -4.282 15.512 1.00 25.51 N ATOM 728 CA MET A 47 -1.954 -4.384 16.930 1.00 41.50 C ATOM 729 C MET A 47 -3.152 -3.998 17.792 1.00 41.32 C ATOM 730 O MET A 47 -3.248 -4.396 18.953 1.00 3.15 O ATOM 731 CB MET A 47 -0.760 -3.488 17.266 1.00 63.11 C ATOM 732 CG MET A 47 0.541 -3.944 16.624 1.00 11.44 C ATOM 733 SD MET A 47 1.368 -5.236 17.572 1.00 14.30 S ATOM 734 CE MET A 47 2.018 -4.286 18.944 1.00 1.30 C ATOM 0 H MET A 47 -1.852 -3.488 15.036 1.00 25.51 H new ATOM 0 HA MET A 47 -1.693 -5.421 17.144 1.00 41.50 H new ATOM 0 HB2 MET A 47 -0.978 -2.470 16.943 1.00 63.11 H new ATOM 0 HB3 MET A 47 -0.631 -3.459 18.348 1.00 63.11 H new ATOM 0 HG2 MET A 47 0.336 -4.311 15.618 1.00 11.44 H new ATOM 0 HG3 MET A 47 1.210 -3.090 16.521 1.00 11.44 H new ATOM 0 HE1 MET A 47 3.096 -4.432 19.009 1.00 1.30 H new ATOM 0 HE2 MET A 47 1.803 -3.229 18.789 1.00 1.30 H new ATOM 0 HE3 MET A 47 1.551 -4.619 19.871 1.00 1.30 H new ATOM 744 N LEU A 48 -4.063 -3.221 17.217 1.00 40.25 N ATOM 745 CA LEU A 48 -5.255 -2.781 17.933 1.00 55.15 C ATOM 746 C LEU A 48 -6.441 -3.691 17.627 1.00 23.12 C ATOM 747 O LEU A 48 -7.589 -3.246 17.608 1.00 64.44 O ATOM 748 CB LEU A 48 -5.596 -1.338 17.557 1.00 12.43 C ATOM 749 CG LEU A 48 -4.471 -0.316 17.729 1.00 74.00 C ATOM 750 CD1 LEU A 48 -4.870 1.022 17.127 1.00 44.52 C ATOM 751 CD2 LEU A 48 -4.116 -0.157 19.200 1.00 43.51 C ATOM 0 H LEU A 48 -3.999 -2.883 16.257 1.00 40.25 H new ATOM 0 HA LEU A 48 -5.046 -2.833 19.002 1.00 55.15 H new ATOM 0 HB2 LEU A 48 -5.919 -1.321 16.516 1.00 12.43 H new ATOM 0 HB3 LEU A 48 -6.446 -1.018 18.160 1.00 12.43 H new ATOM 0 HG LEU A 48 -3.590 -0.681 17.201 1.00 74.00 H new ATOM 0 HD11 LEU A 48 -4.058 1.737 17.259 1.00 44.52 H new ATOM 0 HD12 LEU A 48 -5.074 0.896 16.064 1.00 44.52 H new ATOM 0 HD13 LEU A 48 -5.765 1.393 17.627 1.00 44.52 H new ATOM 0 HD21 LEU A 48 -3.314 0.574 19.304 1.00 43.51 H new ATOM 0 HD22 LEU A 48 -4.992 0.185 19.751 1.00 43.51 H new ATOM 0 HD23 LEU A 48 -3.787 -1.116 19.601 1.00 43.51 H new ATOM 763 N ARG A 49 -6.155 -4.967 17.392 1.00 62.43 N ATOM 764 CA ARG A 49 -7.197 -5.941 17.089 1.00 52.54 C ATOM 765 C ARG A 49 -7.532 -6.780 18.318 1.00 2.33 C ATOM 766 O ARG A 49 -6.651 -7.241 19.044 1.00 64.12 O ATOM 767 CB ARG A 49 -6.756 -6.851 15.941 1.00 34.10 C ATOM 768 CG ARG A 49 -6.348 -6.096 14.687 1.00 44.01 C ATOM 769 CD ARG A 49 -7.560 -5.607 13.911 1.00 14.40 C ATOM 770 NE ARG A 49 -7.210 -5.180 12.559 1.00 63.41 N ATOM 771 CZ ARG A 49 -7.006 -6.023 11.552 1.00 10.04 C ATOM 772 NH1 ARG A 49 -7.118 -7.330 11.745 1.00 70.04 N ATOM 773 NH2 ARG A 49 -6.690 -5.558 10.350 1.00 31.42 N ATOM 0 H ARG A 49 -5.210 -5.351 17.406 1.00 62.43 H new ATOM 0 HA ARG A 49 -8.092 -5.396 16.788 1.00 52.54 H new ATOM 0 HB2 ARG A 49 -5.918 -7.463 16.275 1.00 34.10 H new ATOM 0 HB3 ARG A 49 -7.570 -7.533 15.696 1.00 34.10 H new ATOM 0 HG2 ARG A 49 -5.723 -5.246 14.960 1.00 44.01 H new ATOM 0 HG3 ARG A 49 -5.745 -6.744 14.051 1.00 44.01 H new ATOM 0 HD2 ARG A 49 -8.302 -6.404 13.859 1.00 14.40 H new ATOM 0 HD3 ARG A 49 -8.021 -4.776 14.445 1.00 14.40 H new ATOM 0 HE ARG A 49 -7.117 -4.181 12.378 1.00 63.41 H new ATOM 0 HH11 ARG A 49 -7.361 -7.690 12.668 1.00 70.04 H new ATOM 0 HH12 ARG A 49 -6.961 -7.975 10.971 1.00 70.04 H new ATOM 0 HH21 ARG A 49 -6.604 -4.553 10.198 1.00 31.42 H new ATOM 0 HH22 ARG A 49 -6.534 -6.206 9.578 1.00 31.42 H new ATOM 787 N PRO A 50 -8.835 -6.983 18.560 1.00 55.52 N ATOM 788 CA PRO A 50 -9.317 -7.767 19.701 1.00 5.41 C ATOM 789 C PRO A 50 -9.012 -9.253 19.552 1.00 34.44 C ATOM 790 O PRO A 50 -9.086 -10.011 20.520 1.00 63.55 O ATOM 791 CB PRO A 50 -10.828 -7.526 19.685 1.00 11.21 C ATOM 792 CG PRO A 50 -11.143 -7.192 18.268 1.00 54.31 C ATOM 793 CD PRO A 50 -9.940 -6.462 17.737 1.00 74.41 C ATOM 0 HA PRO A 50 -8.835 -7.470 20.633 1.00 5.41 H new ATOM 0 HB2 PRO A 50 -11.374 -8.410 20.014 1.00 11.21 H new ATOM 0 HB3 PRO A 50 -11.106 -6.712 20.355 1.00 11.21 H new ATOM 0 HG2 PRO A 50 -11.339 -8.094 17.689 1.00 54.31 H new ATOM 0 HG3 PRO A 50 -12.036 -6.571 18.203 1.00 54.31 H new ATOM 0 HD2 PRO A 50 -9.782 -6.664 16.678 1.00 74.41 H new ATOM 0 HD3 PRO A 50 -10.046 -5.382 17.843 1.00 74.41 H new ATOM 801 N SER A 51 -8.670 -9.664 18.335 1.00 13.04 N ATOM 802 CA SER A 51 -8.358 -11.061 18.060 1.00 71.53 C ATOM 803 C SER A 51 -6.897 -11.365 18.378 1.00 52.30 C ATOM 804 O SER A 51 -6.558 -12.470 18.801 1.00 73.25 O ATOM 805 CB SER A 51 -8.652 -11.392 16.595 1.00 32.43 C ATOM 806 OG SER A 51 -8.261 -12.718 16.284 1.00 70.34 O ATOM 0 H SER A 51 -8.602 -9.049 17.524 1.00 13.04 H new ATOM 0 HA SER A 51 -8.987 -11.680 18.699 1.00 71.53 H new ATOM 0 HB2 SER A 51 -9.717 -11.267 16.397 1.00 32.43 H new ATOM 0 HB3 SER A 51 -8.124 -10.692 15.948 1.00 32.43 H new ATOM 0 HG SER A 51 -8.461 -12.906 15.343 1.00 70.34 H new ATOM 812 N VAL A 52 -6.035 -10.374 18.172 1.00 72.04 N ATOM 813 CA VAL A 52 -4.610 -10.533 18.437 1.00 53.20 C ATOM 814 C VAL A 52 -4.352 -10.785 19.918 1.00 1.22 C ATOM 815 O VAL A 52 -4.905 -10.103 20.780 1.00 41.22 O ATOM 816 CB VAL A 52 -3.815 -9.291 17.992 1.00 21.04 C ATOM 817 CG1 VAL A 52 -2.386 -9.358 18.511 1.00 55.20 C ATOM 818 CG2 VAL A 52 -3.835 -9.160 16.477 1.00 70.41 C ATOM 0 H VAL A 52 -6.299 -9.453 17.822 1.00 72.04 H new ATOM 0 HA VAL A 52 -4.274 -11.395 17.861 1.00 53.20 H new ATOM 0 HB VAL A 52 -4.289 -8.406 18.416 1.00 21.04 H new ATOM 0 HG11 VAL A 52 -1.839 -8.472 18.187 1.00 55.20 H new ATOM 0 HG12 VAL A 52 -2.396 -9.400 19.600 1.00 55.20 H new ATOM 0 HG13 VAL A 52 -1.898 -10.250 18.118 1.00 55.20 H new ATOM 0 HG21 VAL A 52 -3.269 -8.277 16.181 1.00 70.41 H new ATOM 0 HG22 VAL A 52 -3.386 -10.047 16.029 1.00 70.41 H new ATOM 0 HG23 VAL A 52 -4.865 -9.062 16.134 1.00 70.41 H new ATOM 828 N ASN A 53 -3.507 -11.769 20.207 1.00 61.33 N ATOM 829 CA ASN A 53 -3.175 -12.112 21.585 1.00 65.13 C ATOM 830 C ASN A 53 -2.024 -11.251 22.097 1.00 64.41 C ATOM 831 O ASN A 53 -1.354 -10.565 21.324 1.00 54.02 O ATOM 832 CB ASN A 53 -2.804 -13.593 21.689 1.00 53.02 C ATOM 833 CG ASN A 53 -3.899 -14.501 21.163 1.00 51.02 C ATOM 834 OD1 ASN A 53 -4.240 -14.460 19.981 1.00 60.44 O ATOM 835 ND2 ASN A 53 -4.456 -15.326 22.042 1.00 71.34 N ATOM 0 H ASN A 53 -3.040 -12.343 19.505 1.00 61.33 H new ATOM 0 HA ASN A 53 -4.052 -11.920 22.203 1.00 65.13 H new ATOM 0 HB2 ASN A 53 -1.886 -13.775 21.131 1.00 53.02 H new ATOM 0 HB3 ASN A 53 -2.599 -13.841 22.730 1.00 53.02 H new ATOM 0 HD21 ASN A 53 -5.198 -15.960 21.747 1.00 71.34 H new ATOM 0 HD22 ASN A 53 -4.141 -15.326 23.012 1.00 71.34 H new ATOM 842 N THR A 54 -1.798 -11.293 23.406 1.00 23.24 N ATOM 843 CA THR A 54 -0.729 -10.518 24.023 1.00 43.43 C ATOM 844 C THR A 54 0.627 -10.880 23.427 1.00 10.22 C ATOM 845 O THR A 54 1.418 -10.002 23.081 1.00 73.24 O ATOM 846 CB THR A 54 -0.682 -10.737 25.547 1.00 54.23 C ATOM 847 OG1 THR A 54 -1.897 -11.351 25.990 1.00 15.04 O ATOM 848 CG2 THR A 54 -0.479 -9.418 26.277 1.00 23.01 C ATOM 0 H THR A 54 -2.342 -11.856 24.060 1.00 23.24 H new ATOM 0 HA THR A 54 -0.944 -9.469 23.821 1.00 43.43 H new ATOM 0 HB THR A 54 0.160 -11.392 25.773 1.00 54.23 H new ATOM 0 HG1 THR A 54 -1.859 -11.489 26.960 1.00 15.04 H new ATOM 0 HG21 THR A 54 -0.449 -9.598 27.352 1.00 23.01 H new ATOM 0 HG22 THR A 54 0.461 -8.967 25.958 1.00 23.01 H new ATOM 0 HG23 THR A 54 -1.303 -8.743 26.045 1.00 23.01 H new ATOM 856 N ARG A 55 0.889 -12.177 23.310 1.00 21.55 N ATOM 857 CA ARG A 55 2.150 -12.655 22.757 1.00 64.31 C ATOM 858 C ARG A 55 2.447 -11.982 21.420 1.00 2.12 C ATOM 859 O ARG A 55 3.512 -11.394 21.233 1.00 4.44 O ATOM 860 CB ARG A 55 2.110 -14.174 22.577 1.00 21.02 C ATOM 861 CG ARG A 55 3.434 -14.769 22.125 1.00 74.01 C ATOM 862 CD ARG A 55 3.266 -16.203 21.648 1.00 74.21 C ATOM 863 NE ARG A 55 4.549 -16.880 21.487 1.00 65.35 N ATOM 864 CZ ARG A 55 4.705 -18.006 20.798 1.00 44.50 C ATOM 865 NH1 ARG A 55 3.663 -18.576 20.210 1.00 64.53 N ATOM 866 NH2 ARG A 55 5.906 -18.562 20.696 1.00 11.44 N ATOM 0 H ARG A 55 0.245 -12.916 23.591 1.00 21.55 H new ATOM 0 HA ARG A 55 2.945 -12.400 23.458 1.00 64.31 H new ATOM 0 HB2 ARG A 55 1.817 -14.636 23.520 1.00 21.02 H new ATOM 0 HB3 ARG A 55 1.341 -14.425 21.847 1.00 21.02 H new ATOM 0 HG2 ARG A 55 3.851 -14.163 21.320 1.00 74.01 H new ATOM 0 HG3 ARG A 55 4.148 -14.739 22.948 1.00 74.01 H new ATOM 0 HD2 ARG A 55 2.653 -16.753 22.362 1.00 74.21 H new ATOM 0 HD3 ARG A 55 2.731 -16.209 20.698 1.00 74.21 H new ATOM 0 HE ARG A 55 5.371 -16.466 21.927 1.00 65.35 H new ATOM 0 HH11 ARG A 55 2.739 -18.151 20.286 1.00 64.53 H new ATOM 0 HH12 ARG A 55 3.785 -19.440 19.682 1.00 64.53 H new ATOM 0 HH21 ARG A 55 6.710 -18.125 21.147 1.00 11.44 H new ATOM 0 HH22 ARG A 55 6.025 -19.426 20.167 1.00 11.44 H new ATOM 880 N ARG A 56 1.499 -12.073 20.494 1.00 74.21 N ATOM 881 CA ARG A 56 1.659 -11.475 19.174 1.00 2.43 C ATOM 882 C ARG A 56 2.018 -9.996 19.288 1.00 13.21 C ATOM 883 O ARG A 56 2.914 -9.508 18.599 1.00 53.02 O ATOM 884 CB ARG A 56 0.376 -11.638 18.357 1.00 2.23 C ATOM 885 CG ARG A 56 0.198 -13.031 17.776 1.00 54.34 C ATOM 886 CD ARG A 56 0.976 -13.197 16.480 1.00 74.23 C ATOM 887 NE ARG A 56 1.432 -14.571 16.288 1.00 61.10 N ATOM 888 CZ ARG A 56 0.614 -15.591 16.053 1.00 23.20 C ATOM 889 NH1 ARG A 56 -0.695 -15.393 15.981 1.00 44.23 N ATOM 890 NH2 ARG A 56 1.106 -16.813 15.889 1.00 14.13 N ATOM 0 H ARG A 56 0.611 -12.555 20.633 1.00 74.21 H new ATOM 0 HA ARG A 56 2.473 -11.991 18.665 1.00 2.43 H new ATOM 0 HB2 ARG A 56 -0.480 -11.405 18.990 1.00 2.23 H new ATOM 0 HB3 ARG A 56 0.378 -10.912 17.544 1.00 2.23 H new ATOM 0 HG2 ARG A 56 0.532 -13.774 18.500 1.00 54.34 H new ATOM 0 HG3 ARG A 56 -0.860 -13.218 17.593 1.00 54.34 H new ATOM 0 HD2 ARG A 56 0.347 -12.903 15.640 1.00 74.23 H new ATOM 0 HD3 ARG A 56 1.836 -12.527 16.485 1.00 74.23 H new ATOM 0 HE ARG A 56 2.434 -14.758 16.337 1.00 61.10 H new ATOM 0 HH11 ARG A 56 -1.077 -14.455 16.106 1.00 44.23 H new ATOM 0 HH12 ARG A 56 -1.320 -16.178 15.800 1.00 44.23 H new ATOM 0 HH21 ARG A 56 2.113 -16.969 15.943 1.00 14.13 H new ATOM 0 HH22 ARG A 56 0.478 -17.596 15.709 1.00 14.13 H new ATOM 904 N LYS A 57 1.312 -9.287 20.162 1.00 12.25 N ATOM 905 CA LYS A 57 1.555 -7.864 20.368 1.00 12.04 C ATOM 906 C LYS A 57 3.008 -7.611 20.758 1.00 52.13 C ATOM 907 O LYS A 57 3.709 -6.835 20.107 1.00 65.30 O ATOM 908 CB LYS A 57 0.623 -7.318 21.452 1.00 33.04 C ATOM 909 CG LYS A 57 -0.851 -7.523 21.147 1.00 0.11 C ATOM 910 CD LYS A 57 -1.658 -6.266 21.425 1.00 40.32 C ATOM 911 CE LYS A 57 -3.112 -6.434 21.011 1.00 42.24 C ATOM 912 NZ LYS A 57 -3.961 -5.312 21.499 1.00 20.33 N ATOM 0 H LYS A 57 0.566 -9.675 20.740 1.00 12.25 H new ATOM 0 HA LYS A 57 1.353 -7.347 19.430 1.00 12.04 H new ATOM 0 HB2 LYS A 57 0.860 -7.801 22.400 1.00 33.04 H new ATOM 0 HB3 LYS A 57 0.814 -6.253 21.581 1.00 33.04 H new ATOM 0 HG2 LYS A 57 -0.971 -7.810 20.102 1.00 0.11 H new ATOM 0 HG3 LYS A 57 -1.237 -8.345 21.750 1.00 0.11 H new ATOM 0 HD2 LYS A 57 -1.606 -6.027 22.487 1.00 40.32 H new ATOM 0 HD3 LYS A 57 -1.220 -5.425 20.887 1.00 40.32 H new ATOM 0 HE2 LYS A 57 -3.176 -6.492 19.924 1.00 42.24 H new ATOM 0 HE3 LYS A 57 -3.495 -7.376 21.403 1.00 42.24 H new ATOM 0 HZ1 LYS A 57 -4.920 -5.663 21.698 1.00 20.33 H new ATOM 0 HZ2 LYS A 57 -3.549 -4.918 22.369 1.00 20.33 H new ATOM 0 HZ3 LYS A 57 -4.008 -4.570 20.771 1.00 20.33 H new ATOM 926 N LEU A 58 3.454 -8.270 21.821 1.00 31.20 N ATOM 927 CA LEU A 58 4.825 -8.118 22.296 1.00 12.12 C ATOM 928 C LEU A 58 5.820 -8.308 21.156 1.00 4.43 C ATOM 929 O LEU A 58 6.669 -7.450 20.910 1.00 44.21 O ATOM 930 CB LEU A 58 5.113 -9.123 23.413 1.00 50.31 C ATOM 931 CG LEU A 58 6.570 -9.224 23.865 1.00 63.43 C ATOM 932 CD1 LEU A 58 6.733 -8.668 25.271 1.00 44.25 C ATOM 933 CD2 LEU A 58 7.049 -10.668 23.802 1.00 53.44 C ATOM 0 H LEU A 58 2.886 -8.915 22.371 1.00 31.20 H new ATOM 0 HA LEU A 58 4.938 -7.107 22.688 1.00 12.12 H new ATOM 0 HB2 LEU A 58 4.503 -8.860 24.277 1.00 50.31 H new ATOM 0 HB3 LEU A 58 4.787 -10.109 23.081 1.00 50.31 H new ATOM 0 HG LEU A 58 7.182 -8.629 23.188 1.00 63.43 H new ATOM 0 HD11 LEU A 58 7.777 -8.748 25.575 1.00 44.25 H new ATOM 0 HD12 LEU A 58 6.430 -7.621 25.286 1.00 44.25 H new ATOM 0 HD13 LEU A 58 6.109 -9.236 25.961 1.00 44.25 H new ATOM 0 HD21 LEU A 58 8.088 -10.721 24.127 1.00 53.44 H new ATOM 0 HD22 LEU A 58 6.432 -11.285 24.456 1.00 53.44 H new ATOM 0 HD23 LEU A 58 6.970 -11.033 22.778 1.00 53.44 H new ATOM 945 N LEU A 59 5.710 -9.435 20.463 1.00 74.14 N ATOM 946 CA LEU A 59 6.599 -9.737 19.346 1.00 33.12 C ATOM 947 C LEU A 59 6.633 -8.583 18.350 1.00 41.32 C ATOM 948 O LEU A 59 7.703 -8.132 17.944 1.00 41.55 O ATOM 949 CB LEU A 59 6.150 -11.019 18.643 1.00 33.44 C ATOM 950 CG LEU A 59 6.756 -12.321 19.170 1.00 52.23 C ATOM 951 CD1 LEU A 59 6.197 -13.515 18.412 1.00 55.11 C ATOM 952 CD2 LEU A 59 8.273 -12.283 19.064 1.00 24.24 C ATOM 0 H LEU A 59 5.014 -10.156 20.654 1.00 74.14 H new ATOM 0 HA LEU A 59 7.604 -9.880 19.743 1.00 33.12 H new ATOM 0 HB2 LEU A 59 5.065 -11.090 18.718 1.00 33.44 H new ATOM 0 HB3 LEU A 59 6.391 -10.932 17.584 1.00 33.44 H new ATOM 0 HG LEU A 59 6.487 -12.426 20.221 1.00 52.23 H new ATOM 0 HD11 LEU A 59 6.639 -14.432 18.801 1.00 55.11 H new ATOM 0 HD12 LEU A 59 5.115 -13.552 18.538 1.00 55.11 H new ATOM 0 HD13 LEU A 59 6.435 -13.418 17.353 1.00 55.11 H new ATOM 0 HD21 LEU A 59 8.688 -13.217 19.443 1.00 24.24 H new ATOM 0 HD22 LEU A 59 8.562 -12.155 18.021 1.00 24.24 H new ATOM 0 HD23 LEU A 59 8.658 -11.450 19.652 1.00 24.24 H new ATOM 964 N GLY A 60 5.454 -8.107 17.961 1.00 35.53 N ATOM 965 CA GLY A 60 5.371 -7.008 17.017 1.00 21.34 C ATOM 966 C GLY A 60 6.088 -5.767 17.509 1.00 10.43 C ATOM 967 O GLY A 60 6.674 -5.025 16.719 1.00 15.44 O ATOM 0 H GLY A 60 4.554 -8.463 18.283 1.00 35.53 H new ATOM 0 HA2 GLY A 60 5.800 -7.318 16.064 1.00 21.34 H new ATOM 0 HA3 GLY A 60 4.323 -6.770 16.832 1.00 21.34 H new ATOM 971 N LEU A 61 6.042 -5.538 18.817 1.00 14.20 N ATOM 972 CA LEU A 61 6.691 -4.376 19.414 1.00 53.42 C ATOM 973 C LEU A 61 8.200 -4.427 19.203 1.00 45.00 C ATOM 974 O LEU A 61 8.823 -3.425 18.849 1.00 34.05 O ATOM 975 CB LEU A 61 6.375 -4.302 20.909 1.00 62.41 C ATOM 976 CG LEU A 61 6.363 -2.903 21.525 1.00 41.25 C ATOM 977 CD1 LEU A 61 7.732 -2.252 21.397 1.00 55.41 C ATOM 978 CD2 LEU A 61 5.296 -2.040 20.866 1.00 4.24 C ATOM 0 H LEU A 61 5.562 -6.142 19.484 1.00 14.20 H new ATOM 0 HA LEU A 61 6.304 -3.483 18.923 1.00 53.42 H new ATOM 0 HB2 LEU A 61 5.400 -4.759 21.077 1.00 62.41 H new ATOM 0 HB3 LEU A 61 7.107 -4.907 21.445 1.00 62.41 H new ATOM 0 HG LEU A 61 6.125 -2.995 22.585 1.00 41.25 H new ATOM 0 HD11 LEU A 61 7.705 -1.257 21.841 1.00 55.41 H new ATOM 0 HD12 LEU A 61 8.474 -2.860 21.915 1.00 55.41 H new ATOM 0 HD13 LEU A 61 8.000 -2.172 20.343 1.00 55.41 H new ATOM 0 HD21 LEU A 61 5.301 -1.048 21.317 1.00 4.24 H new ATOM 0 HD22 LEU A 61 5.504 -1.955 19.799 1.00 4.24 H new ATOM 0 HD23 LEU A 61 4.318 -2.498 21.010 1.00 4.24 H new ATOM 990 N TYR A 62 8.783 -5.601 19.420 1.00 1.22 N ATOM 991 CA TYR A 62 10.220 -5.783 19.254 1.00 22.02 C ATOM 992 C TYR A 62 10.617 -5.677 17.785 1.00 52.42 C ATOM 993 O TYR A 62 11.687 -5.165 17.454 1.00 62.14 O ATOM 994 CB TYR A 62 10.651 -7.140 19.813 1.00 4.13 C ATOM 995 CG TYR A 62 10.829 -7.147 21.315 1.00 73.41 C ATOM 996 CD1 TYR A 62 11.857 -6.433 21.916 1.00 3.14 C ATOM 997 CD2 TYR A 62 9.967 -7.868 22.132 1.00 32.42 C ATOM 998 CE1 TYR A 62 12.023 -6.438 23.288 1.00 43.32 C ATOM 999 CE2 TYR A 62 10.124 -7.878 23.505 1.00 44.34 C ATOM 1000 CZ TYR A 62 11.154 -7.161 24.078 1.00 64.34 C ATOM 1001 OH TYR A 62 11.316 -7.167 25.444 1.00 34.42 O ATOM 0 H TYR A 62 8.282 -6.441 19.711 1.00 1.22 H new ATOM 0 HA TYR A 62 10.727 -4.992 19.806 1.00 22.02 H new ATOM 0 HB2 TYR A 62 9.907 -7.889 19.540 1.00 4.13 H new ATOM 0 HB3 TYR A 62 11.589 -7.436 19.343 1.00 4.13 H new ATOM 0 HD1 TYR A 62 12.538 -5.864 21.301 1.00 3.14 H new ATOM 0 HD2 TYR A 62 9.160 -8.431 21.686 1.00 32.42 H new ATOM 0 HE1 TYR A 62 12.829 -5.879 23.739 1.00 43.32 H new ATOM 0 HE2 TYR A 62 9.445 -8.444 24.126 1.00 44.34 H new ATOM 0 HH TYR A 62 10.621 -7.723 25.853 1.00 34.42 H new ATOM 1011 N LEU A 63 9.746 -6.163 16.907 1.00 11.23 N ATOM 1012 CA LEU A 63 10.003 -6.123 15.472 1.00 52.31 C ATOM 1013 C LEU A 63 10.058 -4.684 14.969 1.00 51.15 C ATOM 1014 O LEU A 63 11.049 -4.262 14.374 1.00 2.52 O ATOM 1015 CB LEU A 63 8.920 -6.898 14.718 1.00 5.43 C ATOM 1016 CG LEU A 63 8.978 -6.819 13.192 1.00 13.53 C ATOM 1017 CD1 LEU A 63 8.238 -5.587 12.694 1.00 41.24 C ATOM 1018 CD2 LEU A 63 10.422 -6.806 12.713 1.00 72.43 C ATOM 0 H LEU A 63 8.856 -6.589 17.164 1.00 11.23 H new ATOM 0 HA LEU A 63 10.970 -6.590 15.288 1.00 52.31 H new ATOM 0 HB2 LEU A 63 8.981 -7.946 15.010 1.00 5.43 H new ATOM 0 HB3 LEU A 63 7.946 -6.533 15.044 1.00 5.43 H new ATOM 0 HG LEU A 63 8.489 -7.703 12.782 1.00 13.53 H new ATOM 0 HD11 LEU A 63 8.289 -5.547 11.606 1.00 41.24 H new ATOM 0 HD12 LEU A 63 7.195 -5.638 13.006 1.00 41.24 H new ATOM 0 HD13 LEU A 63 8.699 -4.692 13.112 1.00 41.24 H new ATOM 0 HD21 LEU A 63 10.444 -6.750 11.625 1.00 72.43 H new ATOM 0 HD22 LEU A 63 10.936 -5.941 13.132 1.00 72.43 H new ATOM 0 HD23 LEU A 63 10.922 -7.718 13.039 1.00 72.43 H new ATOM 1030 N MET A 64 8.987 -3.936 15.213 1.00 40.34 N ATOM 1031 CA MET A 64 8.915 -2.543 14.787 1.00 43.31 C ATOM 1032 C MET A 64 9.991 -1.708 15.475 1.00 50.04 C ATOM 1033 O MET A 64 10.512 -0.754 14.899 1.00 55.42 O ATOM 1034 CB MET A 64 7.532 -1.965 15.092 1.00 41.53 C ATOM 1035 CG MET A 64 7.331 -1.609 16.556 1.00 43.52 C ATOM 1036 SD MET A 64 7.700 0.121 16.907 1.00 42.21 S ATOM 1037 CE MET A 64 6.768 0.366 18.417 1.00 43.43 C ATOM 0 H MET A 64 8.158 -4.271 15.703 1.00 40.34 H new ATOM 0 HA MET A 64 9.086 -2.509 13.711 1.00 43.31 H new ATOM 0 HB2 MET A 64 7.378 -1.073 14.485 1.00 41.53 H new ATOM 0 HB3 MET A 64 6.772 -2.687 14.795 1.00 41.53 H new ATOM 0 HG2 MET A 64 6.300 -1.821 16.839 1.00 43.52 H new ATOM 0 HG3 MET A 64 7.968 -2.244 17.171 1.00 43.52 H new ATOM 0 HE1 MET A 64 6.896 1.392 18.761 1.00 43.43 H new ATOM 0 HE2 MET A 64 5.712 0.175 18.228 1.00 43.43 H new ATOM 0 HE3 MET A 64 7.129 -0.321 19.183 1.00 43.43 H new ATOM 1047 N ASN A 65 10.319 -2.074 16.710 1.00 74.35 N ATOM 1048 CA ASN A 65 11.332 -1.358 17.476 1.00 70.03 C ATOM 1049 C ASN A 65 12.712 -1.532 16.849 1.00 70.31 C ATOM 1050 O ASN A 65 13.481 -0.577 16.739 1.00 41.20 O ATOM 1051 CB ASN A 65 11.351 -1.853 18.923 1.00 11.34 C ATOM 1052 CG ASN A 65 12.273 -1.031 19.803 1.00 13.33 C ATOM 1053 OD1 ASN A 65 12.933 -0.104 19.334 1.00 4.22 O ATOM 1054 ND2 ASN A 65 12.321 -1.368 21.087 1.00 43.12 N ATOM 0 H ASN A 65 9.898 -2.862 17.201 1.00 74.35 H new ATOM 0 HA ASN A 65 11.079 -0.298 17.465 1.00 70.03 H new ATOM 0 HB2 ASN A 65 10.340 -1.819 19.329 1.00 11.34 H new ATOM 0 HB3 ASN A 65 11.668 -2.896 18.943 1.00 11.34 H new ATOM 0 HD21 ASN A 65 12.923 -0.851 21.728 1.00 43.12 H new ATOM 0 HD22 ASN A 65 11.756 -2.144 21.432 1.00 43.12 H new ATOM 1061 N HIS A 66 13.019 -2.759 16.439 1.00 40.24 N ATOM 1062 CA HIS A 66 14.306 -3.059 15.821 1.00 1.33 C ATOM 1063 C HIS A 66 14.429 -2.376 14.463 1.00 42.34 C ATOM 1064 O HIS A 66 15.486 -1.848 14.115 1.00 13.31 O ATOM 1065 CB HIS A 66 14.480 -4.570 15.663 1.00 1.52 C ATOM 1066 CG HIS A 66 15.908 -5.018 15.727 1.00 53.13 C ATOM 1067 ND1 HIS A 66 16.745 -4.717 16.780 1.00 11.22 N ATOM 1068 CD2 HIS A 66 16.645 -5.751 14.860 1.00 52.11 C ATOM 1069 CE1 HIS A 66 17.936 -5.244 16.558 1.00 52.33 C ATOM 1070 NE2 HIS A 66 17.901 -5.877 15.399 1.00 4.01 N ATOM 0 H HIS A 66 12.395 -3.561 16.524 1.00 40.24 H new ATOM 0 HA HIS A 66 15.092 -2.677 16.472 1.00 1.33 H new ATOM 0 HB2 HIS A 66 13.913 -5.076 16.444 1.00 1.52 H new ATOM 0 HB3 HIS A 66 14.053 -4.879 14.709 1.00 1.52 H new ATOM 0 HD2 HIS A 66 16.308 -6.160 13.919 1.00 52.11 H new ATOM 0 HE1 HIS A 66 18.792 -5.170 17.212 1.00 52.33 H new ATOM 0 HE2 HIS A 66 18.681 -6.378 14.974 1.00 4.01 H new ATOM 1078 N VAL A 67 13.342 -2.390 13.697 1.00 23.54 N ATOM 1079 CA VAL A 67 13.328 -1.772 12.377 1.00 65.40 C ATOM 1080 C VAL A 67 13.548 -0.267 12.473 1.00 43.24 C ATOM 1081 O VAL A 67 14.386 0.295 11.767 1.00 3.23 O ATOM 1082 CB VAL A 67 12.000 -2.041 11.646 1.00 52.34 C ATOM 1083 CG1 VAL A 67 12.060 -1.515 10.219 1.00 35.24 C ATOM 1084 CG2 VAL A 67 11.674 -3.526 11.662 1.00 73.41 C ATOM 0 H VAL A 67 12.459 -2.823 13.969 1.00 23.54 H new ATOM 0 HA VAL A 67 14.143 -2.219 11.809 1.00 65.40 H new ATOM 0 HB VAL A 67 11.204 -1.512 12.170 1.00 52.34 H new ATOM 0 HG11 VAL A 67 11.113 -1.714 9.718 1.00 35.24 H new ATOM 0 HG12 VAL A 67 12.244 -0.441 10.235 1.00 35.24 H new ATOM 0 HG13 VAL A 67 12.867 -2.013 9.681 1.00 35.24 H new ATOM 0 HG21 VAL A 67 10.732 -3.697 11.141 1.00 73.41 H new ATOM 0 HG22 VAL A 67 12.470 -4.079 11.163 1.00 73.41 H new ATOM 0 HG23 VAL A 67 11.586 -3.868 12.693 1.00 73.41 H new ATOM 1094 N VAL A 68 12.790 0.382 13.351 1.00 70.13 N ATOM 1095 CA VAL A 68 12.903 1.823 13.541 1.00 54.14 C ATOM 1096 C VAL A 68 14.291 2.205 14.041 1.00 63.42 C ATOM 1097 O VAL A 68 14.901 3.152 13.545 1.00 21.31 O ATOM 1098 CB VAL A 68 11.849 2.342 14.538 1.00 64.23 C ATOM 1099 CG1 VAL A 68 12.009 3.839 14.752 1.00 55.33 C ATOM 1100 CG2 VAL A 68 10.447 2.011 14.051 1.00 72.42 C ATOM 0 H VAL A 68 12.091 -0.068 13.942 1.00 70.13 H new ATOM 0 HA VAL A 68 12.731 2.285 12.569 1.00 54.14 H new ATOM 0 HB VAL A 68 12.003 1.844 15.495 1.00 64.23 H new ATOM 0 HG11 VAL A 68 11.256 4.188 15.459 1.00 55.33 H new ATOM 0 HG12 VAL A 68 13.003 4.046 15.149 1.00 55.33 H new ATOM 0 HG13 VAL A 68 11.883 4.358 13.802 1.00 55.33 H new ATOM 0 HG21 VAL A 68 9.715 2.385 14.767 1.00 72.42 H new ATOM 0 HG22 VAL A 68 10.278 2.480 13.082 1.00 72.42 H new ATOM 0 HG23 VAL A 68 10.341 0.930 13.955 1.00 72.42 H new ATOM 1110 N GLN A 69 14.785 1.460 15.025 1.00 11.31 N ATOM 1111 CA GLN A 69 16.102 1.721 15.593 1.00 45.34 C ATOM 1112 C GLN A 69 17.178 1.680 14.512 1.00 3.13 C ATOM 1113 O GLN A 69 18.127 2.464 14.538 1.00 34.24 O ATOM 1114 CB GLN A 69 16.421 0.700 16.686 1.00 45.20 C ATOM 1115 CG GLN A 69 15.995 1.144 18.076 1.00 75.21 C ATOM 1116 CD GLN A 69 16.456 0.190 19.160 1.00 0.23 C ATOM 1117 OE1 GLN A 69 17.554 -0.362 19.091 1.00 63.20 O ATOM 1118 NE2 GLN A 69 15.618 -0.008 20.171 1.00 75.24 N ATOM 0 H GLN A 69 14.293 0.671 15.445 1.00 11.31 H new ATOM 0 HA GLN A 69 16.090 2.719 16.031 1.00 45.34 H new ATOM 0 HB2 GLN A 69 15.927 -0.242 16.447 1.00 45.20 H new ATOM 0 HB3 GLN A 69 17.494 0.506 16.688 1.00 45.20 H new ATOM 0 HG2 GLN A 69 16.398 2.137 18.276 1.00 75.21 H new ATOM 0 HG3 GLN A 69 14.909 1.228 18.109 1.00 75.21 H new ATOM 0 HE21 GLN A 69 14.717 0.470 20.188 1.00 75.24 H new ATOM 0 HE22 GLN A 69 15.875 -0.638 20.931 1.00 75.24 H new ATOM 1127 N GLN A 70 17.024 0.761 13.565 1.00 74.11 N ATOM 1128 CA GLN A 70 17.983 0.618 12.476 1.00 21.54 C ATOM 1129 C GLN A 70 17.821 1.739 11.456 1.00 14.41 C ATOM 1130 O GLN A 70 18.786 2.154 10.816 1.00 63.34 O ATOM 1131 CB GLN A 70 17.811 -0.739 11.792 1.00 73.43 C ATOM 1132 CG GLN A 70 18.550 -1.871 12.488 1.00 12.42 C ATOM 1133 CD GLN A 70 20.038 -1.861 12.198 1.00 32.05 C ATOM 1134 OE1 GLN A 70 20.860 -1.859 13.115 1.00 64.42 O ATOM 1135 NE2 GLN A 70 20.392 -1.855 10.919 1.00 50.13 N ATOM 0 H GLN A 70 16.244 0.104 13.530 1.00 74.11 H new ATOM 0 HA GLN A 70 18.986 0.680 12.899 1.00 21.54 H new ATOM 0 HB2 GLN A 70 16.749 -0.982 11.749 1.00 73.43 H new ATOM 0 HB3 GLN A 70 18.163 -0.665 10.763 1.00 73.43 H new ATOM 0 HG2 GLN A 70 18.393 -1.795 13.564 1.00 12.42 H new ATOM 0 HG3 GLN A 70 18.128 -2.825 12.171 1.00 12.42 H new ATOM 0 HE21 GLN A 70 19.677 -1.857 10.192 1.00 50.13 H new ATOM 0 HE22 GLN A 70 21.379 -1.848 10.663 1.00 50.13 H new ATOM 1144 N ALA A 71 16.593 2.227 11.310 1.00 32.42 N ATOM 1145 CA ALA A 71 16.304 3.302 10.369 1.00 23.50 C ATOM 1146 C ALA A 71 17.256 4.476 10.568 1.00 23.14 C ATOM 1147 O ALA A 71 17.582 5.192 9.622 1.00 42.35 O ATOM 1148 CB ALA A 71 14.861 3.759 10.517 1.00 73.03 C ATOM 0 H ALA A 71 15.782 1.894 11.832 1.00 32.42 H new ATOM 0 HA ALA A 71 16.450 2.917 9.360 1.00 23.50 H new ATOM 0 HB1 ALA A 71 14.659 4.562 9.808 1.00 73.03 H new ATOM 0 HB2 ALA A 71 14.192 2.922 10.317 1.00 73.03 H new ATOM 0 HB3 ALA A 71 14.696 4.121 11.532 1.00 73.03 H new ATOM 1154 N LYS A 72 17.699 4.669 11.806 1.00 23.11 N ATOM 1155 CA LYS A 72 18.615 5.756 12.131 1.00 52.32 C ATOM 1156 C LYS A 72 19.914 5.627 11.343 1.00 64.13 C ATOM 1157 O LYS A 72 20.505 6.625 10.933 1.00 4.23 O ATOM 1158 CB LYS A 72 18.915 5.767 13.631 1.00 31.14 C ATOM 1159 CG LYS A 72 17.860 6.482 14.458 1.00 73.34 C ATOM 1160 CD LYS A 72 18.137 7.973 14.547 1.00 21.10 C ATOM 1161 CE LYS A 72 19.350 8.263 15.417 1.00 23.15 C ATOM 1162 NZ LYS A 72 19.458 9.709 15.755 1.00 50.43 N ATOM 0 H LYS A 72 17.438 4.086 12.601 1.00 23.11 H new ATOM 0 HA LYS A 72 18.136 6.696 11.856 1.00 52.32 H new ATOM 0 HB2 LYS A 72 19.005 4.739 13.982 1.00 31.14 H new ATOM 0 HB3 LYS A 72 19.880 6.246 13.796 1.00 31.14 H new ATOM 0 HG2 LYS A 72 16.877 6.319 14.015 1.00 73.34 H new ATOM 0 HG3 LYS A 72 17.832 6.056 15.461 1.00 73.34 H new ATOM 0 HD2 LYS A 72 18.301 8.374 13.547 1.00 21.10 H new ATOM 0 HD3 LYS A 72 17.264 8.483 14.956 1.00 21.10 H new ATOM 0 HE2 LYS A 72 19.286 7.679 16.335 1.00 23.15 H new ATOM 0 HE3 LYS A 72 20.254 7.943 14.898 1.00 23.15 H new ATOM 0 HZ1 LYS A 72 20.297 9.865 16.349 1.00 50.43 H new ATOM 0 HZ2 LYS A 72 19.545 10.264 14.880 1.00 50.43 H new ATOM 0 HZ3 LYS A 72 18.607 10.009 16.273 1.00 50.43 H new ATOM 1176 N GLY A 73 20.353 4.390 11.132 1.00 23.54 N ATOM 1177 CA GLY A 73 21.579 4.153 10.393 1.00 63.13 C ATOM 1178 C GLY A 73 21.365 4.176 8.892 1.00 33.13 C ATOM 1179 O GLY A 73 22.299 4.420 8.130 1.00 41.33 O ATOM 0 H GLY A 73 19.881 3.547 11.460 1.00 23.54 H new ATOM 0 HA2 GLY A 73 22.315 4.910 10.664 1.00 63.13 H new ATOM 0 HA3 GLY A 73 21.994 3.188 10.683 1.00 63.13 H new ATOM 1183 N GLN A 74 20.131 3.919 8.468 1.00 5.15 N ATOM 1184 CA GLN A 74 19.799 3.909 7.049 1.00 53.11 C ATOM 1185 C GLN A 74 19.300 5.278 6.597 1.00 32.31 C ATOM 1186 O GLN A 74 18.936 5.466 5.436 1.00 63.21 O ATOM 1187 CB GLN A 74 18.738 2.845 6.759 1.00 2.55 C ATOM 1188 CG GLN A 74 19.087 1.473 7.311 1.00 62.51 C ATOM 1189 CD GLN A 74 20.513 1.063 6.998 1.00 10.23 C ATOM 1190 OE1 GLN A 74 21.076 1.462 5.979 1.00 43.42 O ATOM 1191 NE2 GLN A 74 21.105 0.262 7.876 1.00 4.44 N ATOM 0 H GLN A 74 19.346 3.715 9.087 1.00 5.15 H new ATOM 0 HA GLN A 74 20.705 3.670 6.491 1.00 53.11 H new ATOM 0 HB2 GLN A 74 17.787 3.167 7.183 1.00 2.55 H new ATOM 0 HB3 GLN A 74 18.597 2.769 5.681 1.00 2.55 H new ATOM 0 HG2 GLN A 74 18.942 1.473 8.391 1.00 62.51 H new ATOM 0 HG3 GLN A 74 18.401 0.734 6.897 1.00 62.51 H new ATOM 0 HE21 GLN A 74 20.600 -0.045 8.708 1.00 4.44 H new ATOM 0 HE22 GLN A 74 22.064 -0.047 7.719 1.00 4.44 H new ATOM 1200 N LYS A 75 19.284 6.231 7.522 1.00 5.32 N ATOM 1201 CA LYS A 75 18.831 7.584 7.220 1.00 21.21 C ATOM 1202 C LYS A 75 17.360 7.587 6.816 1.00 44.03 C ATOM 1203 O LYS A 75 17.002 8.083 5.747 1.00 1.43 O ATOM 1204 CB LYS A 75 19.680 8.190 6.101 1.00 42.33 C ATOM 1205 CG LYS A 75 21.175 8.044 6.324 1.00 64.31 C ATOM 1206 CD LYS A 75 21.657 8.921 7.467 1.00 43.41 C ATOM 1207 CE LYS A 75 21.994 10.325 6.988 1.00 51.20 C ATOM 1208 NZ LYS A 75 22.585 11.155 8.074 1.00 14.13 N ATOM 0 H LYS A 75 19.580 6.092 8.488 1.00 5.32 H new ATOM 0 HA LYS A 75 18.944 8.188 8.120 1.00 21.21 H new ATOM 0 HB2 LYS A 75 19.414 7.715 5.157 1.00 42.33 H new ATOM 0 HB3 LYS A 75 19.437 9.248 6.005 1.00 42.33 H new ATOM 0 HG2 LYS A 75 21.412 7.002 6.539 1.00 64.31 H new ATOM 0 HG3 LYS A 75 21.708 8.310 5.411 1.00 64.31 H new ATOM 0 HD2 LYS A 75 20.887 8.973 8.237 1.00 43.41 H new ATOM 0 HD3 LYS A 75 22.537 8.471 7.926 1.00 43.41 H new ATOM 0 HE2 LYS A 75 22.694 10.266 6.154 1.00 51.20 H new ATOM 0 HE3 LYS A 75 21.091 10.807 6.613 1.00 51.20 H new ATOM 0 HZ1 LYS A 75 22.801 12.104 7.707 1.00 14.13 H new ATOM 0 HZ2 LYS A 75 21.908 11.233 8.859 1.00 14.13 H new ATOM 0 HZ3 LYS A 75 23.460 10.709 8.415 1.00 14.13 H new ATOM 1222 N ILE A 76 16.514 7.032 7.676 1.00 33.21 N ATOM 1223 CA ILE A 76 15.082 6.974 7.409 1.00 70.34 C ATOM 1224 C ILE A 76 14.293 7.726 8.475 1.00 74.04 C ATOM 1225 O ILE A 76 14.275 7.333 9.641 1.00 32.53 O ATOM 1226 CB ILE A 76 14.580 5.519 7.345 1.00 52.21 C ATOM 1227 CG1 ILE A 76 15.575 4.646 6.577 1.00 12.24 C ATOM 1228 CG2 ILE A 76 13.205 5.461 6.695 1.00 3.43 C ATOM 1229 CD1 ILE A 76 15.776 5.078 5.142 1.00 54.23 C ATOM 0 H ILE A 76 16.795 6.616 8.564 1.00 33.21 H new ATOM 0 HA ILE A 76 14.922 7.448 6.441 1.00 70.34 H new ATOM 0 HB ILE A 76 14.497 5.134 8.361 1.00 52.21 H new ATOM 0 HG12 ILE A 76 16.536 4.666 7.092 1.00 12.24 H new ATOM 0 HG13 ILE A 76 15.226 3.613 6.592 1.00 12.24 H new ATOM 0 HG21 ILE A 76 12.864 4.426 6.657 1.00 3.43 H new ATOM 0 HG22 ILE A 76 12.501 6.054 7.279 1.00 3.43 H new ATOM 0 HG23 ILE A 76 13.264 5.861 5.683 1.00 3.43 H new ATOM 0 HD11 ILE A 76 16.494 4.415 4.659 1.00 54.23 H new ATOM 0 HD12 ILE A 76 14.825 5.031 4.611 1.00 54.23 H new ATOM 0 HD13 ILE A 76 16.155 6.100 5.119 1.00 54.23 H new ATOM 1241 N ILE A 77 13.640 8.809 8.066 1.00 72.44 N ATOM 1242 CA ILE A 77 12.846 9.614 8.985 1.00 11.10 C ATOM 1243 C ILE A 77 11.358 9.317 8.832 1.00 21.34 C ATOM 1244 O ILE A 77 10.578 9.512 9.764 1.00 51.31 O ATOM 1245 CB ILE A 77 13.082 11.120 8.763 1.00 64.33 C ATOM 1246 CG1 ILE A 77 14.565 11.456 8.936 1.00 11.32 C ATOM 1247 CG2 ILE A 77 12.232 11.937 9.724 1.00 40.04 C ATOM 1248 CD1 ILE A 77 15.378 11.275 7.673 1.00 15.13 C ATOM 0 H ILE A 77 13.646 9.149 7.104 1.00 72.44 H new ATOM 0 HA ILE A 77 13.166 9.349 9.993 1.00 11.10 H new ATOM 0 HB ILE A 77 12.788 11.373 7.745 1.00 64.33 H new ATOM 0 HG12 ILE A 77 14.658 12.488 9.273 1.00 11.32 H new ATOM 0 HG13 ILE A 77 14.983 10.825 9.721 1.00 11.32 H new ATOM 0 HG21 ILE A 77 12.410 12.999 9.555 1.00 40.04 H new ATOM 0 HG22 ILE A 77 11.178 11.715 9.557 1.00 40.04 H new ATOM 0 HG23 ILE A 77 12.498 11.684 10.750 1.00 40.04 H new ATOM 0 HD11 ILE A 77 16.419 11.531 7.870 1.00 15.13 H new ATOM 0 HD12 ILE A 77 15.316 10.237 7.346 1.00 15.13 H new ATOM 0 HD13 ILE A 77 14.986 11.926 6.892 1.00 15.13 H new ATOM 1260 N GLN A 78 10.973 8.842 7.652 1.00 22.44 N ATOM 1261 CA GLN A 78 9.579 8.516 7.379 1.00 75.14 C ATOM 1262 C GLN A 78 9.083 7.415 8.311 1.00 3.42 C ATOM 1263 O GLN A 78 7.943 7.447 8.775 1.00 5.25 O ATOM 1264 CB GLN A 78 9.411 8.080 5.922 1.00 61.01 C ATOM 1265 CG GLN A 78 8.068 8.465 5.322 1.00 22.53 C ATOM 1266 CD GLN A 78 7.889 9.965 5.206 1.00 44.42 C ATOM 1267 OE1 GLN A 78 7.163 10.578 5.989 1.00 43.42 O ATOM 1268 NE2 GLN A 78 8.553 10.566 4.225 1.00 54.52 N ATOM 0 H GLN A 78 11.607 8.675 6.870 1.00 22.44 H new ATOM 0 HA GLN A 78 8.983 9.411 7.555 1.00 75.14 H new ATOM 0 HB2 GLN A 78 10.207 8.524 5.325 1.00 61.01 H new ATOM 0 HB3 GLN A 78 9.531 6.998 5.859 1.00 61.01 H new ATOM 0 HG2 GLN A 78 7.973 8.014 4.334 1.00 22.53 H new ATOM 0 HG3 GLN A 78 7.268 8.054 5.938 1.00 22.53 H new ATOM 0 HE21 GLN A 78 9.144 10.019 3.599 1.00 54.52 H new ATOM 0 HE22 GLN A 78 8.472 11.575 4.098 1.00 54.52 H new ATOM 1277 N PHE A 79 9.947 6.442 8.581 1.00 1.31 N ATOM 1278 CA PHE A 79 9.597 5.331 9.458 1.00 70.45 C ATOM 1279 C PHE A 79 9.501 5.791 10.909 1.00 44.50 C ATOM 1280 O PHE A 79 8.669 5.303 11.672 1.00 32.30 O ATOM 1281 CB PHE A 79 10.632 4.210 9.333 1.00 14.24 C ATOM 1282 CG PHE A 79 10.155 3.042 8.518 1.00 3.02 C ATOM 1283 CD1 PHE A 79 8.956 2.415 8.817 1.00 63.03 C ATOM 1284 CD2 PHE A 79 10.906 2.571 7.453 1.00 2.32 C ATOM 1285 CE1 PHE A 79 8.516 1.339 8.069 1.00 43.44 C ATOM 1286 CE2 PHE A 79 10.471 1.496 6.701 1.00 0.32 C ATOM 1287 CZ PHE A 79 9.274 0.880 7.009 1.00 51.32 C ATOM 0 H PHE A 79 10.894 6.400 8.205 1.00 1.31 H new ATOM 0 HA PHE A 79 8.622 4.952 9.151 1.00 70.45 H new ATOM 0 HB2 PHE A 79 11.539 4.612 8.881 1.00 14.24 H new ATOM 0 HB3 PHE A 79 10.901 3.861 10.330 1.00 14.24 H new ATOM 0 HD1 PHE A 79 8.359 2.771 9.643 1.00 63.03 H new ATOM 0 HD2 PHE A 79 11.843 3.050 7.208 1.00 2.32 H new ATOM 0 HE1 PHE A 79 7.581 0.858 8.313 1.00 43.44 H new ATOM 0 HE2 PHE A 79 11.066 1.138 5.874 1.00 0.32 H new ATOM 0 HZ PHE A 79 8.931 0.041 6.422 1.00 51.32 H new ATOM 1297 N GLN A 80 10.361 6.735 11.282 1.00 75.41 N ATOM 1298 CA GLN A 80 10.374 7.261 12.642 1.00 70.43 C ATOM 1299 C GLN A 80 9.032 7.893 12.994 1.00 13.20 C ATOM 1300 O GLN A 80 8.454 7.603 14.042 1.00 53.43 O ATOM 1301 CB GLN A 80 11.494 8.290 12.802 1.00 61.11 C ATOM 1302 CG GLN A 80 12.888 7.684 12.762 1.00 74.21 C ATOM 1303 CD GLN A 80 13.970 8.686 13.110 1.00 43.45 C ATOM 1304 OE1 GLN A 80 15.174 8.191 13.371 1.00 4.11 O flip ATOM 1305 NE2 GLN A 80 13.727 9.893 13.143 1.00 43.22 N flip ATOM 0 H GLN A 80 11.056 7.150 10.662 1.00 75.41 H new ATOM 0 HA GLN A 80 10.553 6.430 13.325 1.00 70.43 H new ATOM 0 HB2 GLN A 80 11.408 9.034 12.011 1.00 61.11 H new ATOM 0 HB3 GLN A 80 11.362 8.814 13.748 1.00 61.11 H new ATOM 0 HG2 GLN A 80 12.936 6.847 13.458 1.00 74.21 H new ATOM 0 HG3 GLN A 80 13.077 7.282 11.767 1.00 74.21 H new ATOM 0 HE21 GLN A 80 12.787 10.230 12.935 1.00 43.22 H new ATOM 0 HE22 GLN A 80 14.466 10.556 13.378 1.00 43.22 H new ATOM 1314 N ASP A 81 8.542 8.758 12.113 1.00 53.21 N ATOM 1315 CA ASP A 81 7.267 9.432 12.330 1.00 33.25 C ATOM 1316 C ASP A 81 6.101 8.474 12.107 1.00 71.34 C ATOM 1317 O ASP A 81 5.085 8.544 12.799 1.00 62.25 O ATOM 1318 CB ASP A 81 7.138 10.638 11.399 1.00 14.34 C ATOM 1319 CG ASP A 81 5.835 11.387 11.600 1.00 53.34 C ATOM 1320 OD1 ASP A 81 5.300 11.356 12.728 1.00 62.15 O ATOM 1321 OD2 ASP A 81 5.349 12.004 10.628 1.00 2.11 O ATOM 0 H ASP A 81 9.009 9.009 11.241 1.00 53.21 H new ATOM 0 HA ASP A 81 7.238 9.777 13.364 1.00 33.25 H new ATOM 0 HB2 ASP A 81 7.974 11.316 11.570 1.00 14.34 H new ATOM 0 HB3 ASP A 81 7.206 10.303 10.364 1.00 14.34 H new ATOM 1326 N SER A 82 6.254 7.580 11.135 1.00 42.03 N ATOM 1327 CA SER A 82 5.212 6.611 10.816 1.00 23.11 C ATOM 1328 C SER A 82 4.971 5.667 11.990 1.00 13.23 C ATOM 1329 O SER A 82 3.839 5.502 12.446 1.00 71.41 O ATOM 1330 CB SER A 82 5.597 5.807 9.572 1.00 13.42 C ATOM 1331 OG SER A 82 5.178 6.467 8.390 1.00 70.43 O ATOM 0 H SER A 82 7.090 7.507 10.555 1.00 42.03 H new ATOM 0 HA SER A 82 4.291 7.158 10.616 1.00 23.11 H new ATOM 0 HB2 SER A 82 6.677 5.662 9.548 1.00 13.42 H new ATOM 0 HB3 SER A 82 5.144 4.817 9.620 1.00 13.42 H new ATOM 0 HG SER A 82 5.892 7.061 8.077 1.00 70.43 H new ATOM 1337 N PHE A 83 6.043 5.050 12.476 1.00 50.42 N ATOM 1338 CA PHE A 83 5.949 4.122 13.596 1.00 0.04 C ATOM 1339 C PHE A 83 5.837 4.875 14.919 1.00 45.22 C ATOM 1340 O PHE A 83 5.323 4.348 15.904 1.00 2.44 O ATOM 1341 CB PHE A 83 7.168 3.198 13.624 1.00 22.11 C ATOM 1342 CG PHE A 83 6.972 1.924 12.854 1.00 61.44 C ATOM 1343 CD1 PHE A 83 5.883 1.106 13.107 1.00 31.31 C ATOM 1344 CD2 PHE A 83 7.877 1.543 11.876 1.00 45.40 C ATOM 1345 CE1 PHE A 83 5.699 -0.067 12.400 1.00 63.44 C ATOM 1346 CE2 PHE A 83 7.699 0.372 11.165 1.00 72.20 C ATOM 1347 CZ PHE A 83 6.609 -0.435 11.428 1.00 62.21 C ATOM 0 H PHE A 83 6.987 5.176 12.111 1.00 50.42 H new ATOM 0 HA PHE A 83 5.049 3.521 13.463 1.00 0.04 H new ATOM 0 HB2 PHE A 83 8.027 3.731 13.217 1.00 22.11 H new ATOM 0 HB3 PHE A 83 7.406 2.954 14.660 1.00 22.11 H new ATOM 0 HD1 PHE A 83 5.169 1.389 13.866 1.00 31.31 H new ATOM 0 HD2 PHE A 83 8.732 2.169 11.667 1.00 45.40 H new ATOM 0 HE1 PHE A 83 4.845 -0.695 12.607 1.00 63.44 H new ATOM 0 HE2 PHE A 83 8.411 0.088 10.404 1.00 72.20 H new ATOM 0 HZ PHE A 83 6.469 -1.352 10.875 1.00 62.21 H new ATOM 1357 N GLY A 84 6.324 6.112 14.931 1.00 5.44 N ATOM 1358 CA GLY A 84 6.271 6.918 16.137 1.00 0.40 C ATOM 1359 C GLY A 84 4.887 7.477 16.400 1.00 34.32 C ATOM 1360 O GLY A 84 4.423 7.497 17.541 1.00 60.53 O ATOM 0 H GLY A 84 6.754 6.570 14.128 1.00 5.44 H new ATOM 0 HA2 GLY A 84 6.583 6.313 16.988 1.00 0.40 H new ATOM 0 HA3 GLY A 84 6.982 7.740 16.052 1.00 0.40 H new ATOM 1364 N LYS A 85 4.224 7.934 15.343 1.00 31.32 N ATOM 1365 CA LYS A 85 2.884 8.496 15.464 1.00 40.01 C ATOM 1366 C LYS A 85 1.866 7.410 15.798 1.00 42.13 C ATOM 1367 O LYS A 85 0.721 7.703 16.141 1.00 11.03 O ATOM 1368 CB LYS A 85 2.486 9.201 14.166 1.00 53.45 C ATOM 1369 CG LYS A 85 2.083 8.248 13.054 1.00 31.31 C ATOM 1370 CD LYS A 85 2.306 8.863 11.683 1.00 45.21 C ATOM 1371 CE LYS A 85 1.207 9.854 11.331 1.00 63.34 C ATOM 1372 NZ LYS A 85 -0.044 9.166 10.908 1.00 13.21 N ATOM 0 H LYS A 85 4.593 7.926 14.392 1.00 31.32 H new ATOM 0 HA LYS A 85 2.894 9.222 16.277 1.00 40.01 H new ATOM 0 HB2 LYS A 85 1.657 9.879 14.370 1.00 53.45 H new ATOM 0 HB3 LYS A 85 3.321 9.813 13.824 1.00 53.45 H new ATOM 0 HG2 LYS A 85 2.658 7.326 13.138 1.00 31.31 H new ATOM 0 HG3 LYS A 85 1.033 7.980 13.167 1.00 31.31 H new ATOM 0 HD2 LYS A 85 3.272 9.367 11.662 1.00 45.21 H new ATOM 0 HD3 LYS A 85 2.341 8.075 10.931 1.00 45.21 H new ATOM 0 HE2 LYS A 85 0.999 10.488 12.193 1.00 63.34 H new ATOM 0 HE3 LYS A 85 1.551 10.508 10.530 1.00 63.34 H new ATOM 0 HZ1 LYS A 85 -0.734 9.871 10.580 1.00 13.21 H new ATOM 0 HZ2 LYS A 85 0.168 8.504 10.135 1.00 13.21 H new ATOM 0 HZ3 LYS A 85 -0.441 8.642 11.714 1.00 13.21 H new ATOM 1386 N VAL A 86 2.292 6.155 15.696 1.00 71.12 N ATOM 1387 CA VAL A 86 1.418 5.025 15.989 1.00 2.15 C ATOM 1388 C VAL A 86 1.927 4.235 17.190 1.00 73.21 C ATOM 1389 O VAL A 86 1.215 3.394 17.739 1.00 0.42 O ATOM 1390 CB VAL A 86 1.298 4.079 14.780 1.00 52.43 C ATOM 1391 CG1 VAL A 86 0.808 4.838 13.555 1.00 25.04 C ATOM 1392 CG2 VAL A 86 2.630 3.401 14.500 1.00 42.15 C ATOM 0 H VAL A 86 3.237 5.895 15.413 1.00 71.12 H new ATOM 0 HA VAL A 86 0.435 5.436 16.217 1.00 2.15 H new ATOM 0 HB VAL A 86 0.566 3.306 15.016 1.00 52.43 H new ATOM 0 HG11 VAL A 86 0.729 4.154 12.710 1.00 25.04 H new ATOM 0 HG12 VAL A 86 -0.170 5.272 13.763 1.00 25.04 H new ATOM 0 HG13 VAL A 86 1.514 5.633 13.313 1.00 25.04 H new ATOM 0 HG21 VAL A 86 2.527 2.736 13.642 1.00 42.15 H new ATOM 0 HG22 VAL A 86 3.385 4.157 14.284 1.00 42.15 H new ATOM 0 HG23 VAL A 86 2.935 2.823 15.373 1.00 42.15 H new ATOM 1402 N ALA A 87 3.163 4.511 17.592 1.00 31.44 N ATOM 1403 CA ALA A 87 3.766 3.827 18.730 1.00 43.23 C ATOM 1404 C ALA A 87 3.108 4.252 20.038 1.00 41.41 C ATOM 1405 O ALA A 87 2.744 3.414 20.861 1.00 34.25 O ATOM 1406 CB ALA A 87 5.262 4.100 18.776 1.00 4.13 C ATOM 0 H ALA A 87 3.766 5.203 17.147 1.00 31.44 H new ATOM 0 HA ALA A 87 3.606 2.756 18.606 1.00 43.23 H new ATOM 0 HB1 ALA A 87 5.700 3.584 19.630 1.00 4.13 H new ATOM 0 HB2 ALA A 87 5.726 3.740 17.858 1.00 4.13 H new ATOM 0 HB3 ALA A 87 5.433 5.172 18.873 1.00 4.13 H new ATOM 1412 N ALA A 88 2.960 5.560 20.223 1.00 53.13 N ATOM 1413 CA ALA A 88 2.344 6.096 21.430 1.00 23.04 C ATOM 1414 C ALA A 88 0.906 5.611 21.575 1.00 31.33 C ATOM 1415 O ALA A 88 0.404 5.453 22.688 1.00 41.23 O ATOM 1416 CB ALA A 88 2.391 7.617 21.417 1.00 64.34 C ATOM 0 H ALA A 88 3.259 6.268 19.552 1.00 53.13 H new ATOM 0 HA ALA A 88 2.910 5.733 22.288 1.00 23.04 H new ATOM 0 HB1 ALA A 88 1.927 8.003 22.325 1.00 64.34 H new ATOM 0 HB2 ALA A 88 3.428 7.949 21.370 1.00 64.34 H new ATOM 0 HB3 ALA A 88 1.851 7.990 20.547 1.00 64.34 H new ATOM 1422 N GLU A 89 0.248 5.376 20.444 1.00 44.21 N ATOM 1423 CA GLU A 89 -1.133 4.910 20.447 1.00 53.33 C ATOM 1424 C GLU A 89 -1.207 3.430 20.808 1.00 35.41 C ATOM 1425 O GLU A 89 -1.901 3.043 21.749 1.00 72.54 O ATOM 1426 CB GLU A 89 -1.777 5.145 19.079 1.00 41.54 C ATOM 1427 CG GLU A 89 -3.295 5.080 19.101 1.00 42.23 C ATOM 1428 CD GLU A 89 -3.904 6.021 20.122 1.00 54.24 C ATOM 1429 OE1 GLU A 89 -3.378 7.141 20.286 1.00 44.21 O ATOM 1430 OE2 GLU A 89 -4.909 5.637 20.756 1.00 31.32 O ATOM 0 H GLU A 89 0.649 5.501 19.515 1.00 44.21 H new ATOM 0 HA GLU A 89 -1.679 5.478 21.200 1.00 53.33 H new ATOM 0 HB2 GLU A 89 -1.469 6.121 18.705 1.00 41.54 H new ATOM 0 HB3 GLU A 89 -1.400 4.401 18.377 1.00 41.54 H new ATOM 0 HG2 GLU A 89 -3.680 5.325 18.111 1.00 42.23 H new ATOM 0 HG3 GLU A 89 -3.608 4.059 19.321 1.00 42.23 H new ATOM 1437 N VAL A 90 -0.488 2.605 20.053 1.00 5.54 N ATOM 1438 CA VAL A 90 -0.470 1.167 20.293 1.00 15.54 C ATOM 1439 C VAL A 90 0.089 0.847 21.675 1.00 13.51 C ATOM 1440 O VAL A 90 -0.501 0.076 22.432 1.00 32.43 O ATOM 1441 CB VAL A 90 0.366 0.431 19.230 1.00 34.10 C ATOM 1442 CG1 VAL A 90 0.383 -1.065 19.506 1.00 54.12 C ATOM 1443 CG2 VAL A 90 -0.173 0.718 17.837 1.00 44.35 C ATOM 0 H VAL A 90 0.090 2.909 19.269 1.00 5.54 H new ATOM 0 HA VAL A 90 -1.503 0.824 20.234 1.00 15.54 H new ATOM 0 HB VAL A 90 1.391 0.797 19.281 1.00 34.10 H new ATOM 0 HG11 VAL A 90 0.979 -1.569 18.745 1.00 54.12 H new ATOM 0 HG12 VAL A 90 0.819 -1.249 20.488 1.00 54.12 H new ATOM 0 HG13 VAL A 90 -0.636 -1.451 19.483 1.00 54.12 H new ATOM 0 HG21 VAL A 90 0.429 0.190 17.098 1.00 44.35 H new ATOM 0 HG22 VAL A 90 -1.207 0.380 17.770 1.00 44.35 H new ATOM 0 HG23 VAL A 90 -0.128 1.790 17.643 1.00 44.35 H new ATOM 1453 N LEU A 91 1.230 1.446 21.998 1.00 31.32 N ATOM 1454 CA LEU A 91 1.870 1.225 23.290 1.00 1.35 C ATOM 1455 C LEU A 91 0.880 1.434 24.431 1.00 13.45 C ATOM 1456 O LEU A 91 0.787 0.615 25.344 1.00 34.13 O ATOM 1457 CB LEU A 91 3.064 2.167 23.457 1.00 21.24 C ATOM 1458 CG LEU A 91 4.324 1.798 22.674 1.00 42.35 C ATOM 1459 CD1 LEU A 91 5.239 3.005 22.536 1.00 43.12 C ATOM 1460 CD2 LEU A 91 5.055 0.647 23.349 1.00 31.10 C ATOM 0 H LEU A 91 1.731 2.088 21.383 1.00 31.32 H new ATOM 0 HA LEU A 91 2.221 0.194 23.322 1.00 1.35 H new ATOM 0 HB2 LEU A 91 2.755 3.169 23.159 1.00 21.24 H new ATOM 0 HB3 LEU A 91 3.319 2.214 24.516 1.00 21.24 H new ATOM 0 HG LEU A 91 4.027 1.477 21.676 1.00 42.35 H new ATOM 0 HD11 LEU A 91 6.131 2.723 21.976 1.00 43.12 H new ATOM 0 HD12 LEU A 91 4.714 3.801 22.007 1.00 43.12 H new ATOM 0 HD13 LEU A 91 5.529 3.357 23.526 1.00 43.12 H new ATOM 0 HD21 LEU A 91 5.949 0.399 22.777 1.00 31.10 H new ATOM 0 HD22 LEU A 91 5.340 0.940 24.359 1.00 31.10 H new ATOM 0 HD23 LEU A 91 4.400 -0.223 23.395 1.00 31.10 H new ATOM 1472 N GLY A 92 0.139 2.537 24.371 1.00 5.44 N ATOM 1473 CA GLY A 92 -0.836 2.833 25.404 1.00 0.43 C ATOM 1474 C GLY A 92 -1.903 1.763 25.518 1.00 21.41 C ATOM 1475 O GLY A 92 -2.313 1.400 26.621 1.00 50.41 O ATOM 0 H GLY A 92 0.197 3.230 23.625 1.00 5.44 H new ATOM 0 HA2 GLY A 92 -0.326 2.936 26.362 1.00 0.43 H new ATOM 0 HA3 GLY A 92 -1.309 3.791 25.189 1.00 0.43 H new ATOM 1479 N ARG A 93 -2.355 1.256 24.376 1.00 63.04 N ATOM 1480 CA ARG A 93 -3.383 0.223 24.352 1.00 62.52 C ATOM 1481 C ARG A 93 -2.832 -1.104 24.867 1.00 72.00 C ATOM 1482 O ARG A 93 -3.378 -1.693 25.800 1.00 32.32 O ATOM 1483 CB ARG A 93 -3.925 0.045 22.932 1.00 1.13 C ATOM 1484 CG ARG A 93 -5.082 0.974 22.602 1.00 71.52 C ATOM 1485 CD ARG A 93 -6.390 0.463 23.186 1.00 71.15 C ATOM 1486 NE ARG A 93 -7.501 1.373 22.919 1.00 4.44 N ATOM 1487 CZ ARG A 93 -8.163 1.408 21.768 1.00 4.22 C ATOM 1488 NH1 ARG A 93 -7.828 0.588 20.782 1.00 20.51 N ATOM 1489 NH2 ARG A 93 -9.162 2.265 21.602 1.00 51.01 N ATOM 0 H ARG A 93 -2.025 1.544 23.455 1.00 63.04 H new ATOM 0 HA ARG A 93 -4.195 0.539 25.007 1.00 62.52 H new ATOM 0 HB2 ARG A 93 -3.118 0.216 22.220 1.00 1.13 H new ATOM 0 HB3 ARG A 93 -4.250 -0.987 22.803 1.00 1.13 H new ATOM 0 HG2 ARG A 93 -4.873 1.970 22.992 1.00 71.52 H new ATOM 0 HG3 ARG A 93 -5.177 1.068 21.520 1.00 71.52 H new ATOM 0 HD2 ARG A 93 -6.616 -0.517 22.767 1.00 71.15 H new ATOM 0 HD3 ARG A 93 -6.280 0.332 24.262 1.00 71.15 H new ATOM 0 HE ARG A 93 -7.784 2.017 23.657 1.00 4.44 H new ATOM 0 HH11 ARG A 93 -7.060 -0.072 20.906 1.00 20.51 H new ATOM 0 HH12 ARG A 93 -8.338 0.617 19.899 1.00 20.51 H new ATOM 0 HH21 ARG A 93 -9.422 2.898 22.359 1.00 51.01 H new ATOM 0 HH22 ARG A 93 -9.670 2.291 20.718 1.00 51.01 H new ATOM 1503 N ILE A 94 -1.749 -1.568 24.253 1.00 51.34 N ATOM 1504 CA ILE A 94 -1.125 -2.824 24.650 1.00 50.44 C ATOM 1505 C ILE A 94 -0.665 -2.774 26.103 1.00 41.35 C ATOM 1506 O ILE A 94 -0.608 -3.798 26.781 1.00 4.05 O ATOM 1507 CB ILE A 94 0.080 -3.162 23.752 1.00 3.44 C ATOM 1508 CG1 ILE A 94 1.219 -2.169 23.996 1.00 61.03 C ATOM 1509 CG2 ILE A 94 -0.331 -3.155 22.288 1.00 73.32 C ATOM 1510 CD1 ILE A 94 2.437 -2.423 23.135 1.00 74.42 C ATOM 0 H ILE A 94 -1.285 -1.093 23.479 1.00 51.34 H new ATOM 0 HA ILE A 94 -1.880 -3.602 24.538 1.00 50.44 H new ATOM 0 HB ILE A 94 0.433 -4.162 24.004 1.00 3.44 H new ATOM 0 HG12 ILE A 94 0.856 -1.159 23.808 1.00 61.03 H new ATOM 0 HG13 ILE A 94 1.510 -2.213 25.045 1.00 61.03 H new ATOM 0 HG21 ILE A 94 0.532 -3.396 21.667 1.00 73.32 H new ATOM 0 HG22 ILE A 94 -1.113 -3.897 22.126 1.00 73.32 H new ATOM 0 HG23 ILE A 94 -0.707 -2.167 22.020 1.00 73.32 H new ATOM 0 HD11 ILE A 94 3.204 -1.682 23.361 1.00 74.42 H new ATOM 0 HD12 ILE A 94 2.825 -3.421 23.339 1.00 74.42 H new ATOM 0 HD13 ILE A 94 2.161 -2.350 22.083 1.00 74.42 H new ATOM 1522 N ASN A 95 -0.339 -1.574 26.574 1.00 74.34 N ATOM 1523 CA ASN A 95 0.115 -1.390 27.947 1.00 14.02 C ATOM 1524 C ASN A 95 -0.985 -1.760 28.938 1.00 52.41 C ATOM 1525 O ASN A 95 -0.707 -2.218 30.045 1.00 31.44 O ATOM 1526 CB ASN A 95 0.553 0.059 28.171 1.00 32.35 C ATOM 1527 CG ASN A 95 0.754 0.381 29.640 1.00 45.04 C ATOM 1528 OD1 ASN A 95 1.749 -0.021 30.244 1.00 50.22 O ATOM 1529 ND2 ASN A 95 -0.192 1.110 30.220 1.00 24.35 N ATOM 0 H ASN A 95 -0.381 -0.715 26.025 1.00 74.34 H new ATOM 0 HA ASN A 95 0.966 -2.050 28.114 1.00 14.02 H new ATOM 0 HB2 ASN A 95 1.482 0.243 27.631 1.00 32.35 H new ATOM 0 HB3 ASN A 95 -0.197 0.731 27.754 1.00 32.35 H new ATOM 0 HD21 ASN A 95 -0.111 1.359 31.206 1.00 24.35 H new ATOM 0 HD22 ASN A 95 -0.999 1.421 29.680 1.00 24.35 H new ATOM 1536 N GLN A 96 -2.234 -1.557 28.530 1.00 1.42 N ATOM 1537 CA GLN A 96 -3.375 -1.868 29.382 1.00 33.53 C ATOM 1538 C GLN A 96 -3.669 -3.365 29.373 1.00 25.11 C ATOM 1539 O GLN A 96 -3.904 -3.967 30.420 1.00 4.13 O ATOM 1540 CB GLN A 96 -4.610 -1.092 28.921 1.00 20.02 C ATOM 1541 CG GLN A 96 -4.464 0.416 29.050 1.00 23.42 C ATOM 1542 CD GLN A 96 -5.694 1.164 28.576 1.00 62.01 C ATOM 1543 OE1 GLN A 96 -6.809 0.896 29.024 1.00 1.24 O ATOM 1544 NE2 GLN A 96 -5.497 2.109 27.664 1.00 73.33 N ATOM 0 H GLN A 96 -2.481 -1.179 27.615 1.00 1.42 H new ATOM 0 HA GLN A 96 -3.127 -1.570 30.401 1.00 33.53 H new ATOM 0 HB2 GLN A 96 -4.818 -1.341 27.880 1.00 20.02 H new ATOM 0 HB3 GLN A 96 -5.472 -1.417 29.504 1.00 20.02 H new ATOM 0 HG2 GLN A 96 -4.268 0.670 30.092 1.00 23.42 H new ATOM 0 HG3 GLN A 96 -3.599 0.744 28.473 1.00 23.42 H new ATOM 0 HE21 GLN A 96 -4.555 2.298 27.320 1.00 73.33 H new ATOM 0 HE22 GLN A 96 -6.287 2.646 27.307 1.00 73.33 H new ATOM 1553 N GLU A 97 -3.653 -3.959 28.184 1.00 71.02 N ATOM 1554 CA GLU A 97 -3.919 -5.385 28.040 1.00 61.54 C ATOM 1555 C GLU A 97 -2.768 -6.213 28.605 1.00 33.21 C ATOM 1556 O GLU A 97 -2.971 -7.322 29.100 1.00 12.14 O ATOM 1557 CB GLU A 97 -4.141 -5.739 26.568 1.00 62.34 C ATOM 1558 CG GLU A 97 -5.074 -4.782 25.845 1.00 2.15 C ATOM 1559 CD GLU A 97 -5.912 -5.472 24.787 1.00 52.43 C ATOM 1560 OE1 GLU A 97 -5.615 -6.641 24.464 1.00 4.12 O ATOM 1561 OE2 GLU A 97 -6.865 -4.843 24.281 1.00 42.32 O ATOM 0 H GLU A 97 -3.459 -3.475 27.307 1.00 71.02 H new ATOM 0 HA GLU A 97 -4.823 -5.618 28.603 1.00 61.54 H new ATOM 0 HB2 GLU A 97 -3.178 -5.750 26.057 1.00 62.34 H new ATOM 0 HB3 GLU A 97 -4.548 -6.748 26.503 1.00 62.34 H new ATOM 0 HG2 GLU A 97 -5.733 -4.305 26.571 1.00 2.15 H new ATOM 0 HG3 GLU A 97 -4.487 -3.991 25.379 1.00 2.15 H new ATOM 1568 N PHE A 98 -1.560 -5.666 28.527 1.00 64.42 N ATOM 1569 CA PHE A 98 -0.376 -6.354 29.029 1.00 44.21 C ATOM 1570 C PHE A 98 -0.430 -6.492 30.548 1.00 43.54 C ATOM 1571 O PHE A 98 -0.749 -5.548 31.271 1.00 54.11 O ATOM 1572 CB PHE A 98 0.891 -5.599 28.619 1.00 73.12 C ATOM 1573 CG PHE A 98 1.415 -5.998 27.269 1.00 43.50 C ATOM 1574 CD1 PHE A 98 0.548 -6.391 26.262 1.00 11.54 C ATOM 1575 CD2 PHE A 98 2.776 -5.979 27.007 1.00 54.55 C ATOM 1576 CE1 PHE A 98 1.028 -6.758 25.020 1.00 63.42 C ATOM 1577 CE2 PHE A 98 3.262 -6.345 25.766 1.00 53.15 C ATOM 1578 CZ PHE A 98 2.387 -6.734 24.771 1.00 74.44 C ATOM 0 H PHE A 98 -1.375 -4.749 28.121 1.00 64.42 H new ATOM 0 HA PHE A 98 -0.354 -7.352 28.592 1.00 44.21 H new ATOM 0 HB2 PHE A 98 0.683 -4.529 28.617 1.00 73.12 H new ATOM 0 HB3 PHE A 98 1.665 -5.772 29.366 1.00 73.12 H new ATOM 0 HD1 PHE A 98 -0.515 -6.411 26.450 1.00 11.54 H new ATOM 0 HD2 PHE A 98 3.465 -5.675 27.781 1.00 54.55 H new ATOM 0 HE1 PHE A 98 0.342 -7.063 24.244 1.00 63.42 H new ATOM 0 HE2 PHE A 98 4.325 -6.327 25.575 1.00 53.15 H new ATOM 0 HZ PHE A 98 2.764 -7.019 23.800 1.00 74.44 H new ATOM 1588 N PRO A 99 -0.110 -7.696 31.044 1.00 74.13 N ATOM 1589 CA PRO A 99 -0.115 -7.987 32.480 1.00 20.15 C ATOM 1590 C PRO A 99 1.013 -7.275 33.220 1.00 53.03 C ATOM 1591 O PRO A 99 1.862 -6.631 32.604 1.00 53.44 O ATOM 1592 CB PRO A 99 0.083 -9.504 32.536 1.00 44.12 C ATOM 1593 CG PRO A 99 0.789 -9.840 31.267 1.00 33.24 C ATOM 1594 CD PRO A 99 0.280 -8.867 30.240 1.00 3.33 C ATOM 0 HA PRO A 99 -1.031 -7.645 32.961 1.00 20.15 H new ATOM 0 HB2 PRO A 99 0.672 -9.795 33.406 1.00 44.12 H new ATOM 0 HB3 PRO A 99 -0.871 -10.026 32.608 1.00 44.12 H new ATOM 0 HG2 PRO A 99 1.869 -9.752 31.386 1.00 33.24 H new ATOM 0 HG3 PRO A 99 0.584 -10.867 30.967 1.00 33.24 H new ATOM 0 HD2 PRO A 99 1.049 -8.615 29.509 1.00 3.33 H new ATOM 0 HD3 PRO A 99 -0.566 -9.274 29.686 1.00 3.33 H new ATOM 1602 N ARG A 100 1.015 -7.396 34.543 1.00 3.12 N ATOM 1603 CA ARG A 100 2.039 -6.763 35.366 1.00 13.22 C ATOM 1604 C ARG A 100 3.422 -7.317 35.036 1.00 54.44 C ATOM 1605 O ARG A 100 4.437 -6.666 35.283 1.00 22.35 O ATOM 1606 CB ARG A 100 1.734 -6.976 36.850 1.00 12.41 C ATOM 1607 CG ARG A 100 0.771 -5.951 37.427 1.00 0.31 C ATOM 1608 CD ARG A 100 0.406 -6.278 38.867 1.00 51.14 C ATOM 1609 NE ARG A 100 -0.532 -7.394 38.953 1.00 25.52 N ATOM 1610 CZ ARG A 100 -1.831 -7.285 38.699 1.00 44.25 C ATOM 1611 NH1 ARG A 100 -2.343 -6.115 38.343 1.00 74.01 N ATOM 1612 NH2 ARG A 100 -2.620 -8.347 38.799 1.00 4.10 N ATOM 0 H ARG A 100 0.320 -7.926 35.068 1.00 3.12 H new ATOM 0 HA ARG A 100 2.034 -5.695 35.150 1.00 13.22 H new ATOM 0 HB2 ARG A 100 1.315 -7.973 36.987 1.00 12.41 H new ATOM 0 HB3 ARG A 100 2.667 -6.942 37.413 1.00 12.41 H new ATOM 0 HG2 ARG A 100 1.222 -4.960 37.381 1.00 0.31 H new ATOM 0 HG3 ARG A 100 -0.134 -5.918 36.820 1.00 0.31 H new ATOM 0 HD2 ARG A 100 1.311 -6.521 39.424 1.00 51.14 H new ATOM 0 HD3 ARG A 100 -0.032 -5.399 39.339 1.00 51.14 H new ATOM 0 HE ARG A 100 -0.169 -8.308 39.223 1.00 25.52 H new ATOM 0 HH11 ARG A 100 -1.739 -5.297 38.264 1.00 74.01 H new ATOM 0 HH12 ARG A 100 -3.341 -6.033 38.148 1.00 74.01 H new ATOM 0 HH21 ARG A 100 -2.229 -9.249 39.071 1.00 4.10 H new ATOM 0 HH22 ARG A 100 -3.617 -8.262 38.604 1.00 4.10 H new ATOM 1626 N ASP A 101 3.452 -8.521 34.476 1.00 44.24 N ATOM 1627 CA ASP A 101 4.710 -9.162 34.110 1.00 21.24 C ATOM 1628 C ASP A 101 5.293 -8.536 32.848 1.00 41.34 C ATOM 1629 O ASP A 101 6.470 -8.174 32.808 1.00 52.54 O ATOM 1630 CB ASP A 101 4.500 -10.663 33.900 1.00 11.50 C ATOM 1631 CG ASP A 101 3.741 -11.307 35.043 1.00 15.42 C ATOM 1632 OD1 ASP A 101 4.306 -11.401 36.153 1.00 51.00 O ATOM 1633 OD2 ASP A 101 2.581 -11.716 34.828 1.00 15.55 O ATOM 0 H ASP A 101 2.620 -9.073 34.266 1.00 44.24 H new ATOM 0 HA ASP A 101 5.416 -9.012 34.927 1.00 21.24 H new ATOM 0 HB2 ASP A 101 3.955 -10.824 32.970 1.00 11.50 H new ATOM 0 HB3 ASP A 101 5.469 -11.151 33.791 1.00 11.50 H new ATOM 1638 N LEU A 102 4.463 -8.412 31.818 1.00 43.33 N ATOM 1639 CA LEU A 102 4.896 -7.830 30.552 1.00 43.30 C ATOM 1640 C LEU A 102 5.125 -6.328 30.693 1.00 23.31 C ATOM 1641 O LEU A 102 5.955 -5.747 29.993 1.00 22.15 O ATOM 1642 CB LEU A 102 3.857 -8.098 29.462 1.00 31.53 C ATOM 1643 CG LEU A 102 3.728 -9.551 29.001 1.00 11.34 C ATOM 1644 CD1 LEU A 102 2.722 -9.663 27.866 1.00 64.01 C ATOM 1645 CD2 LEU A 102 5.082 -10.097 28.573 1.00 42.40 C ATOM 0 H LEU A 102 3.487 -8.707 31.835 1.00 43.33 H new ATOM 0 HA LEU A 102 5.839 -8.298 30.270 1.00 43.30 H new ATOM 0 HB2 LEU A 102 2.885 -7.765 29.825 1.00 31.53 H new ATOM 0 HB3 LEU A 102 4.101 -7.483 28.596 1.00 31.53 H new ATOM 0 HG LEU A 102 3.367 -10.148 29.839 1.00 11.34 H new ATOM 0 HD11 LEU A 102 2.643 -10.703 27.551 1.00 64.01 H new ATOM 0 HD12 LEU A 102 1.748 -9.313 28.207 1.00 64.01 H new ATOM 0 HD13 LEU A 102 3.053 -9.053 27.025 1.00 64.01 H new ATOM 0 HD21 LEU A 102 4.971 -11.132 28.248 1.00 42.40 H new ATOM 0 HD22 LEU A 102 5.472 -9.498 27.750 1.00 42.40 H new ATOM 0 HD23 LEU A 102 5.774 -10.053 29.414 1.00 42.40 H new ATOM 1657 N LYS A 103 4.385 -5.705 31.604 1.00 24.31 N ATOM 1658 CA LYS A 103 4.509 -4.272 31.841 1.00 40.11 C ATOM 1659 C LYS A 103 5.966 -3.881 32.065 1.00 64.14 C ATOM 1660 O LYS A 103 6.437 -2.872 31.539 1.00 64.31 O ATOM 1661 CB LYS A 103 3.668 -3.860 33.051 1.00 12.30 C ATOM 1662 CG LYS A 103 2.210 -3.596 32.717 1.00 51.52 C ATOM 1663 CD LYS A 103 1.728 -2.286 33.319 1.00 62.13 C ATOM 1664 CE LYS A 103 0.282 -1.999 32.944 1.00 63.01 C ATOM 1665 NZ LYS A 103 -0.491 -1.453 34.094 1.00 62.14 N ATOM 0 H LYS A 103 3.693 -6.171 32.191 1.00 24.31 H new ATOM 0 HA LYS A 103 4.143 -3.750 30.957 1.00 40.11 H new ATOM 0 HB2 LYS A 103 3.723 -4.645 33.805 1.00 12.30 H new ATOM 0 HB3 LYS A 103 4.099 -2.962 33.494 1.00 12.30 H new ATOM 0 HG2 LYS A 103 2.083 -3.569 31.635 1.00 51.52 H new ATOM 0 HG3 LYS A 103 1.596 -4.416 33.089 1.00 51.52 H new ATOM 0 HD2 LYS A 103 1.822 -2.326 34.404 1.00 62.13 H new ATOM 0 HD3 LYS A 103 2.363 -1.470 32.974 1.00 62.13 H new ATOM 0 HE2 LYS A 103 0.255 -1.288 32.118 1.00 63.01 H new ATOM 0 HE3 LYS A 103 -0.191 -2.916 32.591 1.00 63.01 H new ATOM 0 HZ1 LYS A 103 -1.471 -1.271 33.798 1.00 62.14 H new ATOM 0 HZ2 LYS A 103 -0.487 -2.142 34.873 1.00 62.14 H new ATOM 0 HZ3 LYS A 103 -0.055 -0.565 34.415 1.00 62.14 H new ATOM 1679 N LYS A 104 6.677 -4.687 32.847 1.00 53.41 N ATOM 1680 CA LYS A 104 8.082 -4.427 33.138 1.00 33.44 C ATOM 1681 C LYS A 104 8.931 -4.551 31.877 1.00 13.53 C ATOM 1682 O LYS A 104 9.898 -3.811 31.692 1.00 34.05 O ATOM 1683 CB LYS A 104 8.590 -5.400 34.205 1.00 2.43 C ATOM 1684 CG LYS A 104 8.231 -4.989 35.623 1.00 75.51 C ATOM 1685 CD LYS A 104 8.443 -6.130 36.604 1.00 3.13 C ATOM 1686 CE LYS A 104 9.921 -6.354 36.887 1.00 51.14 C ATOM 1687 NZ LYS A 104 10.495 -5.269 37.730 1.00 62.11 N ATOM 0 H LYS A 104 6.303 -5.526 33.291 1.00 53.41 H new ATOM 0 HA LYS A 104 8.167 -3.407 33.513 1.00 33.44 H new ATOM 0 HB2 LYS A 104 8.179 -6.390 34.007 1.00 2.43 H new ATOM 0 HB3 LYS A 104 9.674 -5.483 34.123 1.00 2.43 H new ATOM 0 HG2 LYS A 104 8.839 -4.135 35.920 1.00 75.51 H new ATOM 0 HG3 LYS A 104 7.190 -4.667 35.657 1.00 75.51 H new ATOM 0 HD2 LYS A 104 7.922 -5.911 37.536 1.00 3.13 H new ATOM 0 HD3 LYS A 104 8.006 -7.044 36.201 1.00 3.13 H new ATOM 0 HE2 LYS A 104 10.053 -7.312 37.389 1.00 51.14 H new ATOM 0 HE3 LYS A 104 10.467 -6.409 35.945 1.00 51.14 H new ATOM 0 HZ1 LYS A 104 11.429 -5.561 38.083 1.00 62.11 H new ATOM 0 HZ2 LYS A 104 10.594 -4.404 37.162 1.00 62.11 H new ATOM 0 HZ3 LYS A 104 9.863 -5.084 38.535 1.00 62.11 H new ATOM 1701 N LYS A 105 8.563 -5.488 31.011 1.00 73.40 N ATOM 1702 CA LYS A 105 9.288 -5.707 29.765 1.00 22.13 C ATOM 1703 C LYS A 105 9.066 -4.551 28.796 1.00 53.23 C ATOM 1704 O LYS A 105 9.967 -4.175 28.045 1.00 52.51 O ATOM 1705 CB LYS A 105 8.847 -7.022 29.118 1.00 55.41 C ATOM 1706 CG LYS A 105 8.907 -8.213 30.058 1.00 63.11 C ATOM 1707 CD LYS A 105 10.342 -8.595 30.382 1.00 71.45 C ATOM 1708 CE LYS A 105 10.404 -9.655 31.471 1.00 1.44 C ATOM 1709 NZ LYS A 105 10.321 -9.056 32.832 1.00 13.22 N ATOM 0 H LYS A 105 7.766 -6.109 31.149 1.00 73.40 H new ATOM 0 HA LYS A 105 10.351 -5.763 29.998 1.00 22.13 H new ATOM 0 HB2 LYS A 105 7.827 -6.912 28.750 1.00 55.41 H new ATOM 0 HB3 LYS A 105 9.479 -7.221 28.252 1.00 55.41 H new ATOM 0 HG2 LYS A 105 8.375 -7.977 30.980 1.00 63.11 H new ATOM 0 HG3 LYS A 105 8.397 -9.062 29.604 1.00 63.11 H new ATOM 0 HD2 LYS A 105 10.833 -8.967 29.482 1.00 71.45 H new ATOM 0 HD3 LYS A 105 10.892 -7.710 30.702 1.00 71.45 H new ATOM 0 HE2 LYS A 105 9.587 -10.364 31.335 1.00 1.44 H new ATOM 0 HE3 LYS A 105 11.333 -10.218 31.378 1.00 1.44 H new ATOM 0 HZ1 LYS A 105 10.367 -9.810 33.547 1.00 13.22 H new ATOM 0 HZ2 LYS A 105 11.115 -8.399 32.971 1.00 13.22 H new ATOM 0 HZ3 LYS A 105 9.423 -8.540 32.930 1.00 13.22 H new ATOM 1723 N LEU A 106 7.862 -3.990 28.818 1.00 53.23 N ATOM 1724 CA LEU A 106 7.521 -2.874 27.941 1.00 23.43 C ATOM 1725 C LEU A 106 8.070 -1.562 28.492 1.00 34.02 C ATOM 1726 O LEU A 106 8.576 -0.726 27.744 1.00 75.15 O ATOM 1727 CB LEU A 106 6.004 -2.776 27.774 1.00 31.11 C ATOM 1728 CG LEU A 106 5.490 -1.551 27.017 1.00 70.10 C ATOM 1729 CD1 LEU A 106 4.219 -1.890 26.254 1.00 41.15 C ATOM 1730 CD2 LEU A 106 5.246 -0.395 27.976 1.00 61.00 C ATOM 0 H LEU A 106 7.105 -4.289 29.433 1.00 53.23 H new ATOM 0 HA LEU A 106 7.976 -3.056 26.967 1.00 23.43 H new ATOM 0 HB2 LEU A 106 5.657 -3.670 27.256 1.00 31.11 H new ATOM 0 HB3 LEU A 106 5.548 -2.784 28.764 1.00 31.11 H new ATOM 0 HG LEU A 106 6.251 -1.246 26.298 1.00 70.10 H new ATOM 0 HD11 LEU A 106 3.868 -1.006 25.721 1.00 41.15 H new ATOM 0 HD12 LEU A 106 4.425 -2.686 25.539 1.00 41.15 H new ATOM 0 HD13 LEU A 106 3.452 -2.221 26.954 1.00 41.15 H new ATOM 0 HD21 LEU A 106 4.881 0.468 27.420 1.00 61.00 H new ATOM 0 HD22 LEU A 106 4.504 -0.689 28.719 1.00 61.00 H new ATOM 0 HD23 LEU A 106 6.178 -0.135 28.477 1.00 61.00 H new ATOM 1742 N SER A 107 7.968 -1.389 29.806 1.00 35.11 N ATOM 1743 CA SER A 107 8.452 -0.178 30.458 1.00 52.34 C ATOM 1744 C SER A 107 9.918 0.072 30.118 1.00 1.45 C ATOM 1745 O SER A 107 10.304 1.187 29.767 1.00 52.50 O ATOM 1746 CB SER A 107 8.278 -0.285 31.974 1.00 44.51 C ATOM 1747 OG SER A 107 8.749 0.883 32.625 1.00 62.04 O ATOM 0 H SER A 107 7.554 -2.073 30.440 1.00 35.11 H new ATOM 0 HA SER A 107 7.864 0.663 30.091 1.00 52.34 H new ATOM 0 HB2 SER A 107 7.226 -0.439 32.212 1.00 44.51 H new ATOM 0 HB3 SER A 107 8.819 -1.155 32.345 1.00 44.51 H new ATOM 0 HG SER A 107 8.625 0.791 33.593 1.00 62.04 H new ATOM 1753 N ARG A 108 10.731 -0.974 30.227 1.00 53.33 N ATOM 1754 CA ARG A 108 12.155 -0.868 29.933 1.00 32.51 C ATOM 1755 C ARG A 108 12.383 -0.529 28.463 1.00 2.21 C ATOM 1756 O ARG A 108 13.216 0.315 28.132 1.00 24.11 O ATOM 1757 CB ARG A 108 12.867 -2.177 30.282 1.00 42.51 C ATOM 1758 CG ARG A 108 12.269 -3.396 29.600 1.00 22.31 C ATOM 1759 CD ARG A 108 12.931 -4.680 30.075 1.00 31.42 C ATOM 1760 NE ARG A 108 14.277 -4.837 29.530 1.00 13.10 N ATOM 1761 CZ ARG A 108 14.944 -5.985 29.539 1.00 25.14 C ATOM 1762 NH1 ARG A 108 14.394 -7.072 30.063 1.00 51.23 N ATOM 1763 NH2 ARG A 108 16.166 -6.048 29.024 1.00 74.10 N ATOM 0 H ARG A 108 10.428 -1.904 30.517 1.00 53.33 H new ATOM 0 HA ARG A 108 12.568 -0.063 30.542 1.00 32.51 H new ATOM 0 HB2 ARG A 108 13.918 -2.095 30.004 1.00 42.51 H new ATOM 0 HB3 ARG A 108 12.833 -2.322 31.362 1.00 42.51 H new ATOM 0 HG2 ARG A 108 11.199 -3.440 29.804 1.00 22.31 H new ATOM 0 HG3 ARG A 108 12.385 -3.304 28.520 1.00 22.31 H new ATOM 0 HD2 ARG A 108 12.979 -4.682 31.164 1.00 31.42 H new ATOM 0 HD3 ARG A 108 12.319 -5.533 29.781 1.00 31.42 H new ATOM 0 HE ARG A 108 14.729 -4.020 29.120 1.00 13.10 H new ATOM 0 HH11 ARG A 108 13.456 -7.028 30.461 1.00 51.23 H new ATOM 0 HH12 ARG A 108 14.909 -7.952 30.068 1.00 51.23 H new ATOM 0 HH21 ARG A 108 16.593 -5.214 28.621 1.00 74.10 H new ATOM 0 HH22 ARG A 108 16.678 -6.930 29.031 1.00 74.10 H new ATOM 1777 N VAL A 109 11.638 -1.192 27.585 1.00 73.21 N ATOM 1778 CA VAL A 109 11.758 -0.961 26.150 1.00 2.45 C ATOM 1779 C VAL A 109 11.559 0.513 25.813 1.00 31.31 C ATOM 1780 O VAL A 109 12.351 1.106 25.081 1.00 60.34 O ATOM 1781 CB VAL A 109 10.738 -1.800 25.359 1.00 53.21 C ATOM 1782 CG1 VAL A 109 10.744 -1.403 23.890 1.00 1.15 C ATOM 1783 CG2 VAL A 109 11.030 -3.284 25.520 1.00 71.03 C ATOM 0 H VAL A 109 10.944 -1.894 27.842 1.00 73.21 H new ATOM 0 HA VAL A 109 12.765 -1.264 25.863 1.00 2.45 H new ATOM 0 HB VAL A 109 9.743 -1.603 25.759 1.00 53.21 H new ATOM 0 HG11 VAL A 109 10.017 -2.007 23.347 1.00 1.15 H new ATOM 0 HG12 VAL A 109 10.482 -0.349 23.797 1.00 1.15 H new ATOM 0 HG13 VAL A 109 11.737 -1.569 23.472 1.00 1.15 H new ATOM 0 HG21 VAL A 109 10.299 -3.862 24.954 1.00 71.03 H new ATOM 0 HG22 VAL A 109 12.031 -3.500 25.147 1.00 71.03 H new ATOM 0 HG23 VAL A 109 10.969 -3.555 26.574 1.00 71.03 H new ATOM 1793 N VAL A 110 10.495 1.099 26.353 1.00 41.22 N ATOM 1794 CA VAL A 110 10.192 2.505 26.111 1.00 73.43 C ATOM 1795 C VAL A 110 11.312 3.404 26.620 1.00 43.34 C ATOM 1796 O VAL A 110 11.606 4.442 26.027 1.00 25.43 O ATOM 1797 CB VAL A 110 8.870 2.918 26.785 1.00 21.21 C ATOM 1798 CG1 VAL A 110 8.578 4.389 26.531 1.00 73.33 C ATOM 1799 CG2 VAL A 110 7.726 2.045 26.293 1.00 55.24 C ATOM 0 H VAL A 110 9.829 0.622 26.961 1.00 41.22 H new ATOM 0 HA VAL A 110 10.095 2.627 25.032 1.00 73.43 H new ATOM 0 HB VAL A 110 8.970 2.773 27.861 1.00 21.21 H new ATOM 0 HG11 VAL A 110 7.640 4.663 27.015 1.00 73.33 H new ATOM 0 HG12 VAL A 110 9.387 4.996 26.938 1.00 73.33 H new ATOM 0 HG13 VAL A 110 8.497 4.564 25.458 1.00 73.33 H new ATOM 0 HG21 VAL A 110 6.800 2.351 26.780 1.00 55.24 H new ATOM 0 HG22 VAL A 110 7.622 2.155 25.214 1.00 55.24 H new ATOM 0 HG23 VAL A 110 7.935 1.002 26.533 1.00 55.24 H new ATOM 1809 N ASN A 111 11.935 2.999 27.722 1.00 71.14 N ATOM 1810 CA ASN A 111 13.024 3.769 28.311 1.00 23.32 C ATOM 1811 C ASN A 111 14.242 3.780 27.392 1.00 22.43 C ATOM 1812 O ASN A 111 15.151 4.593 27.560 1.00 42.23 O ATOM 1813 CB ASN A 111 13.406 3.190 29.675 1.00 33.12 C ATOM 1814 CG ASN A 111 12.497 3.680 30.786 1.00 41.41 C ATOM 1815 OD1 ASN A 111 11.194 3.675 30.530 1.00 14.51 O flip ATOM 1816 ND2 ASN A 111 12.962 4.059 31.861 1.00 20.10 N flip ATOM 0 H ASN A 111 11.704 2.142 28.225 1.00 71.14 H new ATOM 0 HA ASN A 111 12.681 4.795 28.442 1.00 23.32 H new ATOM 0 HB2 ASN A 111 13.365 2.102 29.629 1.00 33.12 H new ATOM 0 HB3 ASN A 111 14.436 3.461 29.906 1.00 33.12 H new ATOM 0 HD21 ASN A 111 13.970 4.045 32.014 1.00 20.10 H new ATOM 0 HD22 ASN A 111 12.339 4.387 32.599 1.00 20.10 H new ATOM 1823 N ILE A 112 14.252 2.872 26.422 1.00 25.21 N ATOM 1824 CA ILE A 112 15.357 2.778 25.476 1.00 43.30 C ATOM 1825 C ILE A 112 15.204 3.795 24.350 1.00 62.12 C ATOM 1826 O ILE A 112 16.193 4.293 23.810 1.00 52.15 O ATOM 1827 CB ILE A 112 15.460 1.367 24.868 1.00 72.01 C ATOM 1828 CG1 ILE A 112 15.689 0.329 25.969 1.00 41.24 C ATOM 1829 CG2 ILE A 112 16.580 1.313 23.840 1.00 41.20 C ATOM 1830 CD1 ILE A 112 15.325 -1.080 25.556 1.00 41.21 C ATOM 0 H ILE A 112 13.508 2.191 26.271 1.00 25.21 H new ATOM 0 HA ILE A 112 16.269 2.991 26.034 1.00 43.30 H new ATOM 0 HB ILE A 112 14.521 1.135 24.365 1.00 72.01 H new ATOM 0 HG12 ILE A 112 16.737 0.352 26.267 1.00 41.24 H new ATOM 0 HG13 ILE A 112 15.102 0.605 26.845 1.00 41.24 H new ATOM 0 HG21 ILE A 112 16.640 0.309 23.420 1.00 41.20 H new ATOM 0 HG22 ILE A 112 16.377 2.029 23.043 1.00 41.20 H new ATOM 0 HG23 ILE A 112 17.526 1.562 24.320 1.00 41.20 H new ATOM 0 HD11 ILE A 112 15.513 -1.762 26.385 1.00 41.21 H new ATOM 0 HD12 ILE A 112 14.270 -1.119 25.286 1.00 41.21 H new ATOM 0 HD13 ILE A 112 15.930 -1.376 24.699 1.00 41.21 H new ATOM 1842 N LEU A 113 13.959 4.100 24.001 1.00 3.22 N ATOM 1843 CA LEU A 113 13.675 5.060 22.940 1.00 45.02 C ATOM 1844 C LEU A 113 14.306 6.414 23.247 1.00 2.34 C ATOM 1845 O LEU A 113 14.740 7.129 22.344 1.00 43.13 O ATOM 1846 CB LEU A 113 12.165 5.218 22.758 1.00 32.43 C ATOM 1847 CG LEU A 113 11.410 3.969 22.302 1.00 34.43 C ATOM 1848 CD1 LEU A 113 9.910 4.166 22.457 1.00 34.41 C ATOM 1849 CD2 LEU A 113 11.759 3.631 20.860 1.00 21.13 C ATOM 0 H LEU A 113 13.130 3.696 24.437 1.00 3.22 H new ATOM 0 HA LEU A 113 14.108 4.679 22.015 1.00 45.02 H new ATOM 0 HB2 LEU A 113 11.738 5.551 23.704 1.00 32.43 H new ATOM 0 HB3 LEU A 113 11.988 6.011 22.031 1.00 32.43 H new ATOM 0 HG LEU A 113 11.713 3.134 22.933 1.00 34.43 H new ATOM 0 HD11 LEU A 113 9.389 3.267 22.128 1.00 34.41 H new ATOM 0 HD12 LEU A 113 9.675 4.359 23.504 1.00 34.41 H new ATOM 0 HD13 LEU A 113 9.590 5.014 21.851 1.00 34.41 H new ATOM 0 HD21 LEU A 113 11.212 2.739 20.553 1.00 21.13 H new ATOM 0 HD22 LEU A 113 11.485 4.465 20.214 1.00 21.13 H new ATOM 0 HD23 LEU A 113 12.830 3.446 20.779 1.00 21.13 H new ATOM 1861 N LYS A 114 14.356 6.761 24.529 1.00 34.32 N ATOM 1862 CA LYS A 114 14.936 8.027 24.958 1.00 5.41 C ATOM 1863 C LYS A 114 16.457 7.998 24.836 1.00 33.13 C ATOM 1864 O LYS A 114 17.090 9.029 24.611 1.00 72.54 O ATOM 1865 CB LYS A 114 14.536 8.332 26.403 1.00 12.52 C ATOM 1866 CG LYS A 114 15.380 7.605 27.435 1.00 4.10 C ATOM 1867 CD LYS A 114 16.555 8.453 27.892 1.00 45.21 C ATOM 1868 CE LYS A 114 16.943 8.141 29.329 1.00 30.42 C ATOM 1869 NZ LYS A 114 17.477 6.758 29.471 1.00 23.14 N ATOM 0 H LYS A 114 14.001 6.181 25.290 1.00 34.32 H new ATOM 0 HA LYS A 114 14.551 8.813 24.308 1.00 5.41 H new ATOM 0 HB2 LYS A 114 14.614 9.406 26.574 1.00 12.52 H new ATOM 0 HB3 LYS A 114 13.490 8.062 26.546 1.00 12.52 H new ATOM 0 HG2 LYS A 114 14.762 7.345 28.294 1.00 4.10 H new ATOM 0 HG3 LYS A 114 15.748 6.670 27.012 1.00 4.10 H new ATOM 0 HD2 LYS A 114 17.408 8.277 27.237 1.00 45.21 H new ATOM 0 HD3 LYS A 114 16.299 9.509 27.804 1.00 45.21 H new ATOM 0 HE2 LYS A 114 17.693 8.856 29.666 1.00 30.42 H new ATOM 0 HE3 LYS A 114 16.073 8.263 29.975 1.00 30.42 H new ATOM 0 HZ1 LYS A 114 17.491 6.493 30.477 1.00 23.14 H new ATOM 0 HZ2 LYS A 114 16.870 6.096 28.947 1.00 23.14 H new ATOM 0 HZ3 LYS A 114 18.443 6.718 29.089 1.00 23.14 H new ATOM 1883 N GLU A 115 17.035 6.810 24.986 1.00 50.31 N ATOM 1884 CA GLU A 115 18.481 6.648 24.892 1.00 40.23 C ATOM 1885 C GLU A 115 18.964 6.889 23.464 1.00 14.02 C ATOM 1886 O GLU A 115 19.889 7.667 23.234 1.00 41.45 O ATOM 1887 CB GLU A 115 18.891 5.247 25.351 1.00 55.23 C ATOM 1888 CG GLU A 115 18.901 5.080 26.861 1.00 52.21 C ATOM 1889 CD GLU A 115 20.148 5.656 27.503 1.00 20.21 C ATOM 1890 OE1 GLU A 115 21.141 5.875 26.779 1.00 4.42 O ATOM 1891 OE2 GLU A 115 20.130 5.887 28.730 1.00 30.13 O ATOM 0 H GLU A 115 16.525 5.947 25.173 1.00 50.31 H new ATOM 0 HA GLU A 115 18.946 7.387 25.544 1.00 40.23 H new ATOM 0 HB2 GLU A 115 18.207 4.517 24.918 1.00 55.23 H new ATOM 0 HB3 GLU A 115 19.884 5.023 24.962 1.00 55.23 H new ATOM 0 HG2 GLU A 115 18.022 5.567 27.283 1.00 52.21 H new ATOM 0 HG3 GLU A 115 18.827 4.021 27.106 1.00 52.21 H new ATOM 1898 N ARG A 116 18.330 6.215 22.510 1.00 20.21 N ATOM 1899 CA ARG A 116 18.695 6.353 21.105 1.00 2.45 C ATOM 1900 C ARG A 116 18.056 7.599 20.498 1.00 72.42 C ATOM 1901 O ARG A 116 18.429 8.031 19.408 1.00 31.12 O ATOM 1902 CB ARG A 116 18.267 5.112 20.320 1.00 10.33 C ATOM 1903 CG ARG A 116 18.626 3.804 21.006 1.00 51.12 C ATOM 1904 CD ARG A 116 20.117 3.716 21.292 1.00 32.11 C ATOM 1905 NE ARG A 116 20.918 3.920 20.088 1.00 23.24 N ATOM 1906 CZ ARG A 116 22.222 4.173 20.108 1.00 61.01 C ATOM 1907 NH1 ARG A 116 22.868 4.253 21.263 1.00 62.51 N ATOM 1908 NH2 ARG A 116 22.883 4.347 18.970 1.00 35.32 N ATOM 0 H ARG A 116 17.561 5.568 22.684 1.00 20.21 H new ATOM 0 HA ARG A 116 19.779 6.455 21.045 1.00 2.45 H new ATOM 0 HB2 ARG A 116 17.189 5.146 20.162 1.00 10.33 H new ATOM 0 HB3 ARG A 116 18.734 5.136 19.335 1.00 10.33 H new ATOM 0 HG2 ARG A 116 18.070 3.717 21.939 1.00 51.12 H new ATOM 0 HG3 ARG A 116 18.325 2.967 20.376 1.00 51.12 H new ATOM 0 HD2 ARG A 116 20.388 4.463 22.038 1.00 32.11 H new ATOM 0 HD3 ARG A 116 20.347 2.740 21.720 1.00 32.11 H new ATOM 0 HE ARG A 116 20.451 3.865 19.183 1.00 23.24 H new ATOM 0 HH11 ARG A 116 22.364 4.120 22.140 1.00 62.51 H new ATOM 0 HH12 ARG A 116 23.869 4.447 21.275 1.00 62.51 H new ATOM 0 HH21 ARG A 116 22.390 4.287 18.079 1.00 35.32 H new ATOM 0 HH22 ARG A 116 23.884 4.541 18.986 1.00 35.32 H new ATOM 1922 N ASN A 117 17.090 8.170 21.211 1.00 62.53 N ATOM 1923 CA ASN A 117 16.398 9.364 20.741 1.00 0.22 C ATOM 1924 C ASN A 117 15.631 9.078 19.453 1.00 5.15 C ATOM 1925 O ASN A 117 15.580 9.914 18.551 1.00 0.41 O ATOM 1926 CB ASN A 117 17.397 10.501 20.512 1.00 74.53 C ATOM 1927 CG ASN A 117 18.401 10.624 21.641 1.00 44.01 C ATOM 1928 OD1 ASN A 117 18.061 11.045 22.747 1.00 74.34 O ATOM 1929 ND2 ASN A 117 19.648 10.257 21.366 1.00 13.14 N ATOM 0 H ASN A 117 16.769 7.825 22.116 1.00 62.53 H new ATOM 0 HA ASN A 117 15.684 9.665 21.508 1.00 0.22 H new ATOM 0 HB2 ASN A 117 17.927 10.332 19.575 1.00 74.53 H new ATOM 0 HB3 ASN A 117 16.856 11.441 20.407 1.00 74.53 H new ATOM 0 HD21 ASN A 117 20.368 10.318 22.086 1.00 13.14 H new ATOM 0 HD22 ASN A 117 19.885 9.914 20.435 1.00 13.14 H new ATOM 1936 N ILE A 118 15.037 7.892 19.376 1.00 2.23 N ATOM 1937 CA ILE A 118 14.272 7.497 18.200 1.00 21.24 C ATOM 1938 C ILE A 118 13.238 8.557 17.835 1.00 25.21 C ATOM 1939 O ILE A 118 13.386 9.266 16.839 1.00 33.23 O ATOM 1940 CB ILE A 118 13.555 6.152 18.421 1.00 24.42 C ATOM 1941 CG1 ILE A 118 14.568 5.063 18.785 1.00 55.33 C ATOM 1942 CG2 ILE A 118 12.771 5.759 17.178 1.00 11.22 C ATOM 1943 CD1 ILE A 118 15.528 4.733 17.664 1.00 60.31 C ATOM 0 H ILE A 118 15.071 7.188 20.114 1.00 2.23 H new ATOM 0 HA ILE A 118 14.984 7.390 17.382 1.00 21.24 H new ATOM 0 HB ILE A 118 12.854 6.262 19.249 1.00 24.42 H new ATOM 0 HG12 ILE A 118 15.137 5.384 19.657 1.00 55.33 H new ATOM 0 HG13 ILE A 118 14.031 4.159 19.070 1.00 55.33 H new ATOM 0 HG21 ILE A 118 12.270 4.806 17.350 1.00 11.22 H new ATOM 0 HG22 ILE A 118 12.028 6.526 16.959 1.00 11.22 H new ATOM 0 HG23 ILE A 118 13.453 5.663 16.333 1.00 11.22 H new ATOM 0 HD11 ILE A 118 16.217 3.954 17.992 1.00 60.31 H new ATOM 0 HD12 ILE A 118 14.968 4.381 16.797 1.00 60.31 H new ATOM 0 HD13 ILE A 118 16.092 5.626 17.393 1.00 60.31 H new ATOM 1955 N PHE A 119 12.193 8.661 18.649 1.00 72.25 N ATOM 1956 CA PHE A 119 11.134 9.635 18.412 1.00 41.31 C ATOM 1957 C PHE A 119 11.438 10.952 19.121 1.00 65.15 C ATOM 1958 O PHE A 119 12.298 11.012 20.000 1.00 60.14 O ATOM 1959 CB PHE A 119 9.789 9.085 18.890 1.00 31.23 C ATOM 1960 CG PHE A 119 9.557 7.652 18.506 1.00 71.53 C ATOM 1961 CD1 PHE A 119 9.463 7.284 17.173 1.00 13.50 C ATOM 1962 CD2 PHE A 119 9.432 6.671 19.477 1.00 3.31 C ATOM 1963 CE1 PHE A 119 9.250 5.966 16.816 1.00 55.33 C ATOM 1964 CE2 PHE A 119 9.220 5.352 19.126 1.00 74.31 C ATOM 1965 CZ PHE A 119 9.127 4.999 17.794 1.00 72.14 C ATOM 0 H PHE A 119 12.057 8.083 19.478 1.00 72.25 H new ATOM 0 HA PHE A 119 11.081 9.823 17.340 1.00 41.31 H new ATOM 0 HB2 PHE A 119 9.733 9.176 19.975 1.00 31.23 H new ATOM 0 HB3 PHE A 119 8.988 9.698 18.477 1.00 31.23 H new ATOM 0 HD1 PHE A 119 9.557 8.036 16.404 1.00 13.50 H new ATOM 0 HD2 PHE A 119 9.501 6.941 20.520 1.00 3.31 H new ATOM 0 HE1 PHE A 119 9.180 5.693 15.774 1.00 55.33 H new ATOM 0 HE2 PHE A 119 9.127 4.597 19.893 1.00 74.31 H new ATOM 0 HZ PHE A 119 8.958 3.969 17.518 1.00 72.14 H new ATOM 1975 N SER A 120 10.727 12.005 18.731 1.00 44.14 N ATOM 1976 CA SER A 120 10.924 13.322 19.324 1.00 12.35 C ATOM 1977 C SER A 120 10.208 13.425 20.668 1.00 22.40 C ATOM 1978 O SER A 120 9.598 12.462 21.135 1.00 2.51 O ATOM 1979 CB SER A 120 10.416 14.412 18.379 1.00 55.31 C ATOM 1980 OG SER A 120 11.177 15.600 18.514 1.00 54.02 O ATOM 0 H SER A 120 10.009 11.972 18.007 1.00 44.14 H new ATOM 0 HA SER A 120 11.992 13.463 19.488 1.00 12.35 H new ATOM 0 HB2 SER A 120 10.468 14.058 17.349 1.00 55.31 H new ATOM 0 HB3 SER A 120 9.368 14.622 18.591 1.00 55.31 H new ATOM 0 HG SER A 120 10.833 16.280 17.898 1.00 54.02 H new ATOM 1986 N LYS A 121 10.287 14.598 21.285 1.00 5.45 N ATOM 1987 CA LYS A 121 9.647 14.830 22.575 1.00 65.10 C ATOM 1988 C LYS A 121 8.129 14.745 22.452 1.00 25.52 C ATOM 1989 O LYS A 121 7.453 14.241 23.349 1.00 42.51 O ATOM 1990 CB LYS A 121 10.049 16.199 23.128 1.00 12.22 C ATOM 1991 CG LYS A 121 10.148 16.238 24.643 1.00 31.13 C ATOM 1992 CD LYS A 121 11.210 17.220 25.108 1.00 50.32 C ATOM 1993 CE LYS A 121 11.291 17.278 26.626 1.00 74.35 C ATOM 1994 NZ LYS A 121 10.183 18.083 27.210 1.00 52.43 N ATOM 0 H LYS A 121 10.788 15.404 20.913 1.00 5.45 H new ATOM 0 HA LYS A 121 9.982 14.054 23.264 1.00 65.10 H new ATOM 0 HB2 LYS A 121 11.011 16.485 22.702 1.00 12.22 H new ATOM 0 HB3 LYS A 121 9.321 16.942 22.801 1.00 12.22 H new ATOM 0 HG2 LYS A 121 9.183 16.518 25.064 1.00 31.13 H new ATOM 0 HG3 LYS A 121 10.383 15.242 25.019 1.00 31.13 H new ATOM 0 HD2 LYS A 121 12.179 16.929 24.702 1.00 50.32 H new ATOM 0 HD3 LYS A 121 10.986 18.212 24.717 1.00 50.32 H new ATOM 0 HE2 LYS A 121 11.257 16.266 27.030 1.00 74.35 H new ATOM 0 HE3 LYS A 121 12.248 17.708 26.922 1.00 74.35 H new ATOM 0 HZ1 LYS A 121 10.389 18.284 28.209 1.00 52.43 H new ATOM 0 HZ2 LYS A 121 10.092 18.978 26.688 1.00 52.43 H new ATOM 0 HZ3 LYS A 121 9.293 17.550 27.141 1.00 52.43 H new ATOM 2008 N GLN A 122 7.602 15.238 21.336 1.00 31.34 N ATOM 2009 CA GLN A 122 6.164 15.216 21.097 1.00 33.43 C ATOM 2010 C GLN A 122 5.627 13.789 21.138 1.00 32.35 C ATOM 2011 O GLN A 122 4.591 13.522 21.747 1.00 33.42 O ATOM 2012 CB GLN A 122 5.840 15.856 19.746 1.00 1.25 C ATOM 2013 CG GLN A 122 6.248 17.318 19.653 1.00 75.31 C ATOM 2014 CD GLN A 122 5.422 18.213 20.556 1.00 31.31 C ATOM 2015 OE1 GLN A 122 4.365 18.706 20.162 1.00 12.12 O ATOM 2016 NE2 GLN A 122 5.901 18.427 21.776 1.00 61.01 N ATOM 0 H GLN A 122 8.149 15.657 20.584 1.00 31.34 H new ATOM 0 HA GLN A 122 5.681 15.790 21.888 1.00 33.43 H new ATOM 0 HB2 GLN A 122 6.343 15.296 18.958 1.00 1.25 H new ATOM 0 HB3 GLN A 122 4.769 15.774 19.562 1.00 1.25 H new ATOM 0 HG2 GLN A 122 7.301 17.415 19.917 1.00 75.31 H new ATOM 0 HG3 GLN A 122 6.145 17.655 18.621 1.00 75.31 H new ATOM 0 HE21 GLN A 122 6.782 17.998 22.061 1.00 61.01 H new ATOM 0 HE22 GLN A 122 5.388 19.020 22.428 1.00 61.01 H new ATOM 2025 N VAL A 123 6.339 12.875 20.486 1.00 35.23 N ATOM 2026 CA VAL A 123 5.934 11.475 20.449 1.00 61.50 C ATOM 2027 C VAL A 123 6.160 10.801 21.798 1.00 52.10 C ATOM 2028 O VAL A 123 5.262 10.157 22.341 1.00 52.14 O ATOM 2029 CB VAL A 123 6.703 10.697 19.364 1.00 20.03 C ATOM 2030 CG1 VAL A 123 6.114 9.306 19.185 1.00 55.32 C ATOM 2031 CG2 VAL A 123 6.691 11.464 18.050 1.00 24.45 C ATOM 0 H VAL A 123 7.199 13.079 19.977 1.00 35.23 H new ATOM 0 HA VAL A 123 4.870 11.460 20.212 1.00 61.50 H new ATOM 0 HB VAL A 123 7.739 10.587 19.685 1.00 20.03 H new ATOM 0 HG11 VAL A 123 6.670 8.772 18.415 1.00 55.32 H new ATOM 0 HG12 VAL A 123 6.180 8.759 20.126 1.00 55.32 H new ATOM 0 HG13 VAL A 123 5.069 9.389 18.886 1.00 55.32 H new ATOM 0 HG21 VAL A 123 7.239 10.900 17.295 1.00 24.45 H new ATOM 0 HG22 VAL A 123 5.662 11.606 17.721 1.00 24.45 H new ATOM 0 HG23 VAL A 123 7.164 12.436 18.192 1.00 24.45 H new ATOM 2041 N VAL A 124 7.366 10.955 22.335 1.00 32.44 N ATOM 2042 CA VAL A 124 7.710 10.363 23.623 1.00 61.23 C ATOM 2043 C VAL A 124 6.735 10.804 24.709 1.00 45.23 C ATOM 2044 O VAL A 124 6.185 9.978 25.436 1.00 42.41 O ATOM 2045 CB VAL A 124 9.141 10.740 24.049 1.00 65.42 C ATOM 2046 CG1 VAL A 124 9.465 10.151 25.414 1.00 71.14 C ATOM 2047 CG2 VAL A 124 10.147 10.274 23.006 1.00 1.45 C ATOM 0 H VAL A 124 8.121 11.484 21.899 1.00 32.44 H new ATOM 0 HA VAL A 124 7.648 9.282 23.501 1.00 61.23 H new ATOM 0 HB VAL A 124 9.205 11.826 24.124 1.00 65.42 H new ATOM 0 HG11 VAL A 124 10.480 10.428 25.698 1.00 71.14 H new ATOM 0 HG12 VAL A 124 8.763 10.537 26.153 1.00 71.14 H new ATOM 0 HG13 VAL A 124 9.384 9.065 25.370 1.00 71.14 H new ATOM 0 HG21 VAL A 124 11.153 10.549 23.323 1.00 1.45 H new ATOM 0 HG22 VAL A 124 10.083 9.191 22.897 1.00 1.45 H new ATOM 0 HG23 VAL A 124 9.926 10.748 22.050 1.00 1.45 H new ATOM 2057 N ASN A 125 6.526 12.113 24.812 1.00 23.43 N ATOM 2058 CA ASN A 125 5.617 12.665 25.810 1.00 24.22 C ATOM 2059 C ASN A 125 4.227 12.051 25.678 1.00 53.31 C ATOM 2060 O ASN A 125 3.492 11.936 26.659 1.00 0.00 O ATOM 2061 CB ASN A 125 5.532 14.186 25.667 1.00 71.44 C ATOM 2062 CG ASN A 125 6.698 14.895 26.327 1.00 0.22 C ATOM 2063 OD1 ASN A 125 7.372 14.334 27.191 1.00 32.22 O ATOM 2064 ND2 ASN A 125 6.941 16.136 25.923 1.00 42.43 N ATOM 0 H ASN A 125 6.973 12.810 24.217 1.00 23.43 H new ATOM 0 HA ASN A 125 6.009 12.422 26.797 1.00 24.22 H new ATOM 0 HB2 ASN A 125 5.503 14.448 24.609 1.00 71.44 H new ATOM 0 HB3 ASN A 125 4.600 14.538 26.108 1.00 71.44 H new ATOM 0 HD21 ASN A 125 7.712 16.664 26.332 1.00 42.43 H new ATOM 0 HD22 ASN A 125 6.356 16.562 25.204 1.00 42.43 H new ATOM 2071 N ASP A 126 3.873 11.659 24.459 1.00 12.11 N ATOM 2072 CA ASP A 126 2.571 11.056 24.198 1.00 62.41 C ATOM 2073 C ASP A 126 2.528 9.617 24.704 1.00 13.22 C ATOM 2074 O ASP A 126 1.510 9.164 25.228 1.00 75.12 O ATOM 2075 CB ASP A 126 2.259 11.092 22.701 1.00 4.10 C ATOM 2076 CG ASP A 126 1.433 12.302 22.311 1.00 34.42 C ATOM 2077 OD1 ASP A 126 1.289 13.217 23.148 1.00 11.44 O ATOM 2078 OD2 ASP A 126 0.930 12.333 21.169 1.00 70.13 O ATOM 0 H ASP A 126 4.469 11.748 23.636 1.00 12.11 H new ATOM 0 HA ASP A 126 1.817 11.634 24.732 1.00 62.41 H new ATOM 0 HB2 ASP A 126 3.192 11.096 22.138 1.00 4.10 H new ATOM 0 HB3 ASP A 126 1.723 10.185 22.423 1.00 4.10 H new ATOM 2083 N ILE A 127 3.638 8.905 24.544 1.00 52.04 N ATOM 2084 CA ILE A 127 3.726 7.518 24.984 1.00 12.54 C ATOM 2085 C ILE A 127 3.507 7.405 26.489 1.00 15.12 C ATOM 2086 O ILE A 127 2.780 6.528 26.956 1.00 44.03 O ATOM 2087 CB ILE A 127 5.090 6.900 24.628 1.00 65.11 C ATOM 2088 CG1 ILE A 127 5.313 6.939 23.115 1.00 73.25 C ATOM 2089 CG2 ILE A 127 5.176 5.472 25.145 1.00 72.43 C ATOM 2090 CD1 ILE A 127 6.773 6.941 22.718 1.00 15.21 C ATOM 0 H ILE A 127 4.489 9.266 24.113 1.00 52.04 H new ATOM 0 HA ILE A 127 2.941 6.971 24.462 1.00 12.54 H new ATOM 0 HB ILE A 127 5.874 7.487 25.107 1.00 65.11 H new ATOM 0 HG12 ILE A 127 4.823 6.077 22.662 1.00 73.25 H new ATOM 0 HG13 ILE A 127 4.833 7.829 22.708 1.00 73.25 H new ATOM 0 HG21 ILE A 127 6.146 5.049 24.885 1.00 72.43 H new ATOM 0 HG22 ILE A 127 5.057 5.470 26.229 1.00 72.43 H new ATOM 0 HG23 ILE A 127 4.386 4.873 24.692 1.00 72.43 H new ATOM 0 HD11 ILE A 127 6.855 6.969 21.631 1.00 15.21 H new ATOM 0 HD12 ILE A 127 7.264 7.817 23.142 1.00 15.21 H new ATOM 0 HD13 ILE A 127 7.254 6.038 23.094 1.00 15.21 H new ATOM 2102 N GLU A 128 4.138 8.300 27.243 1.00 60.31 N ATOM 2103 CA GLU A 128 4.011 8.300 28.696 1.00 55.15 C ATOM 2104 C GLU A 128 2.597 8.690 29.118 1.00 51.25 C ATOM 2105 O GLU A 128 1.977 8.021 29.944 1.00 25.43 O ATOM 2106 CB GLU A 128 5.024 9.262 29.318 1.00 3.15 C ATOM 2107 CG GLU A 128 6.468 8.918 28.995 1.00 24.43 C ATOM 2108 CD GLU A 128 7.447 9.522 29.983 1.00 45.11 C ATOM 2109 OE1 GLU A 128 7.285 10.712 30.326 1.00 73.11 O ATOM 2110 OE2 GLU A 128 8.376 8.806 30.413 1.00 51.25 O ATOM 0 H GLU A 128 4.742 9.034 26.872 1.00 60.31 H new ATOM 0 HA GLU A 128 4.213 7.290 29.053 1.00 55.15 H new ATOM 0 HB2 GLU A 128 4.814 10.273 28.969 1.00 3.15 H new ATOM 0 HB3 GLU A 128 4.893 9.264 30.400 1.00 3.15 H new ATOM 0 HG2 GLU A 128 6.587 7.834 28.988 1.00 24.43 H new ATOM 0 HG3 GLU A 128 6.706 9.271 27.992 1.00 24.43 H new ATOM 2117 N ARG A 129 2.093 9.778 28.544 1.00 45.22 N ATOM 2118 CA ARG A 129 0.754 10.259 28.861 1.00 3.11 C ATOM 2119 C ARG A 129 -0.283 9.162 28.643 1.00 33.32 C ATOM 2120 O ARG A 129 -1.211 9.005 29.437 1.00 73.35 O ATOM 2121 CB ARG A 129 0.411 11.478 28.003 1.00 14.33 C ATOM 2122 CG ARG A 129 1.249 12.705 28.325 1.00 73.13 C ATOM 2123 CD ARG A 129 0.583 13.573 29.381 1.00 24.13 C ATOM 2124 NE ARG A 129 1.282 14.842 29.566 1.00 10.04 N ATOM 2125 CZ ARG A 129 0.866 15.796 30.392 1.00 42.23 C ATOM 2126 NH1 ARG A 129 -0.239 15.626 31.105 1.00 64.34 N ATOM 2127 NH2 ARG A 129 1.556 16.924 30.505 1.00 24.25 N ATOM 0 H ARG A 129 2.592 10.343 27.857 1.00 45.22 H new ATOM 0 HA ARG A 129 0.738 10.547 29.912 1.00 3.11 H new ATOM 0 HB2 ARG A 129 0.546 11.222 26.952 1.00 14.33 H new ATOM 0 HB3 ARG A 129 -0.643 11.722 28.139 1.00 14.33 H new ATOM 0 HG2 ARG A 129 2.233 12.393 28.676 1.00 73.13 H new ATOM 0 HG3 ARG A 129 1.405 13.289 27.418 1.00 73.13 H new ATOM 0 HD2 ARG A 129 -0.450 13.767 29.092 1.00 24.13 H new ATOM 0 HD3 ARG A 129 0.554 13.034 30.328 1.00 24.13 H new ATOM 0 HE ARG A 129 2.136 15.005 29.032 1.00 10.04 H new ATOM 0 HH11 ARG A 129 -0.773 14.761 31.020 1.00 64.34 H new ATOM 0 HH12 ARG A 129 -0.555 16.360 31.738 1.00 64.34 H new ATOM 0 HH21 ARG A 129 2.406 17.059 29.958 1.00 24.25 H new ATOM 0 HH22 ARG A 129 1.236 17.656 31.139 1.00 24.25 H new ATOM 2141 N SER A 130 -0.119 8.406 27.562 1.00 34.44 N ATOM 2142 CA SER A 130 -1.044 7.326 27.238 1.00 60.34 C ATOM 2143 C SER A 130 -1.230 6.392 28.430 1.00 2.51 C ATOM 2144 O SER A 130 -2.350 5.998 28.756 1.00 12.45 O ATOM 2145 CB SER A 130 -0.534 6.535 26.031 1.00 31.12 C ATOM 2146 OG SER A 130 -0.875 7.181 24.817 1.00 72.21 O ATOM 0 H SER A 130 0.645 8.521 26.896 1.00 34.44 H new ATOM 0 HA SER A 130 -2.009 7.769 26.993 1.00 60.34 H new ATOM 0 HB2 SER A 130 0.548 6.424 26.096 1.00 31.12 H new ATOM 0 HB3 SER A 130 -0.959 5.531 26.044 1.00 31.12 H new ATOM 0 HG SER A 130 -0.495 6.683 24.063 1.00 72.21 H new ATOM 2152 N LEU A 131 -0.124 6.043 29.077 1.00 24.51 N ATOM 2153 CA LEU A 131 -0.162 5.155 30.234 1.00 15.25 C ATOM 2154 C LEU A 131 -0.685 5.889 31.466 1.00 63.33 C ATOM 2155 O LEU A 131 -1.366 5.303 32.307 1.00 42.12 O ATOM 2156 CB LEU A 131 1.231 4.591 30.516 1.00 60.40 C ATOM 2157 CG LEU A 131 2.078 4.250 29.289 1.00 12.41 C ATOM 2158 CD1 LEU A 131 3.410 3.651 29.710 1.00 65.41 C ATOM 2159 CD2 LEU A 131 1.328 3.296 28.371 1.00 14.31 C ATOM 0 H LEU A 131 0.810 6.361 28.820 1.00 24.51 H new ATOM 0 HA LEU A 131 -0.840 4.333 30.007 1.00 15.25 H new ATOM 0 HB2 LEU A 131 1.778 5.314 31.121 1.00 60.40 H new ATOM 0 HB3 LEU A 131 1.121 3.689 31.119 1.00 60.40 H new ATOM 0 HG LEU A 131 2.275 5.171 28.740 1.00 12.41 H new ATOM 0 HD11 LEU A 131 3.999 3.415 28.824 1.00 65.41 H new ATOM 0 HD12 LEU A 131 3.953 4.368 30.326 1.00 65.41 H new ATOM 0 HD13 LEU A 131 3.235 2.740 30.283 1.00 65.41 H new ATOM 0 HD21 LEU A 131 1.946 3.065 27.503 1.00 14.31 H new ATOM 0 HD22 LEU A 131 1.100 2.376 28.910 1.00 14.31 H new ATOM 0 HD23 LEU A 131 0.400 3.763 28.041 1.00 14.31 H new ATOM 2171 N ALA A 132 -0.362 7.174 31.563 1.00 13.33 N ATOM 2172 CA ALA A 132 -0.802 7.989 32.689 1.00 33.10 C ATOM 2173 C ALA A 132 -2.322 8.112 32.717 1.00 30.40 C ATOM 2174 O ALA A 132 -2.918 8.320 33.773 1.00 20.13 O ATOM 2175 CB ALA A 132 -0.161 9.367 32.626 1.00 43.11 C ATOM 0 H ALA A 132 0.203 7.673 30.876 1.00 13.33 H new ATOM 0 HA ALA A 132 -0.486 7.495 33.608 1.00 33.10 H new ATOM 0 HB1 ALA A 132 -0.499 9.964 33.473 1.00 43.11 H new ATOM 0 HB2 ALA A 132 0.924 9.266 32.663 1.00 43.11 H new ATOM 0 HB3 ALA A 132 -0.448 9.860 31.697 1.00 43.11 H new ATOM 2181 N ALA A 133 -2.943 7.982 31.549 1.00 31.23 N ATOM 2182 CA ALA A 133 -4.394 8.077 31.441 1.00 64.13 C ATOM 2183 C ALA A 133 -5.055 6.732 31.724 1.00 44.14 C ATOM 2184 O ALA A 133 -6.190 6.675 32.195 1.00 23.14 O ATOM 2185 CB ALA A 133 -4.788 8.581 30.060 1.00 24.13 C ATOM 0 H ALA A 133 -2.464 7.811 30.665 1.00 31.23 H new ATOM 0 HA ALA A 133 -4.744 8.788 32.189 1.00 64.13 H new ATOM 0 HB1 ALA A 133 -5.874 8.647 29.993 1.00 24.13 H new ATOM 0 HB2 ALA A 133 -4.353 9.567 29.895 1.00 24.13 H new ATOM 0 HB3 ALA A 133 -4.419 7.890 29.302 1.00 24.13 H new ATOM 2191 N ALA A 134 -4.337 5.652 31.431 1.00 11.25 N ATOM 2192 CA ALA A 134 -4.854 4.308 31.656 1.00 71.02 C ATOM 2193 C ALA A 134 -4.575 3.843 33.081 1.00 11.32 C ATOM 2194 O ALA A 134 -5.253 2.955 33.600 1.00 53.34 O ATOM 2195 CB ALA A 134 -4.249 3.336 30.654 1.00 71.22 C ATOM 0 H ALA A 134 -3.396 5.682 31.038 1.00 11.25 H new ATOM 0 HA ALA A 134 -5.935 4.333 31.515 1.00 71.02 H new ATOM 0 HB1 ALA A 134 -4.644 2.336 30.833 1.00 71.22 H new ATOM 0 HB2 ALA A 134 -4.504 3.651 29.642 1.00 71.22 H new ATOM 0 HB3 ALA A 134 -3.165 3.324 30.768 1.00 71.22 H new ATOM 2201 N LEU A 135 -3.573 4.448 33.710 1.00 32.20 N ATOM 2202 CA LEU A 135 -3.204 4.095 35.077 1.00 42.44 C ATOM 2203 C LEU A 135 -4.417 4.148 35.999 1.00 32.53 C ATOM 2204 O LEU A 135 -4.490 3.415 36.985 1.00 34.12 O ATOM 2205 CB LEU A 135 -2.116 5.040 35.592 1.00 72.25 C ATOM 2206 CG LEU A 135 -1.353 4.572 36.831 1.00 64.22 C ATOM 2207 CD1 LEU A 135 -0.353 3.486 36.463 1.00 4.54 C ATOM 2208 CD2 LEU A 135 -0.649 5.744 37.498 1.00 44.41 C ATOM 0 H LEU A 135 -3.002 5.185 33.296 1.00 32.20 H new ATOM 0 HA LEU A 135 -2.819 3.075 35.072 1.00 42.44 H new ATOM 0 HB2 LEU A 135 -1.398 5.207 34.789 1.00 72.25 H new ATOM 0 HB3 LEU A 135 -2.575 6.003 35.815 1.00 72.25 H new ATOM 0 HG LEU A 135 -2.069 4.154 37.539 1.00 64.22 H new ATOM 0 HD11 LEU A 135 0.181 3.165 37.357 1.00 4.54 H new ATOM 0 HD12 LEU A 135 -0.881 2.636 36.031 1.00 4.54 H new ATOM 0 HD13 LEU A 135 0.359 3.878 35.736 1.00 4.54 H new ATOM 0 HD21 LEU A 135 -0.111 5.392 38.378 1.00 44.41 H new ATOM 0 HD22 LEU A 135 0.055 6.192 36.797 1.00 44.41 H new ATOM 0 HD23 LEU A 135 -1.386 6.489 37.797 1.00 44.41 H new ATOM 2220 N GLU A 136 -5.367 5.017 35.670 1.00 15.05 N ATOM 2221 CA GLU A 136 -6.578 5.163 36.470 1.00 73.12 C ATOM 2222 C GLU A 136 -6.239 5.552 37.906 1.00 62.32 C ATOM 2223 O GLU A 136 -6.927 5.156 38.847 1.00 11.23 O ATOM 2224 CB GLU A 136 -7.383 3.861 36.459 1.00 50.51 C ATOM 2225 CG GLU A 136 -8.863 4.059 36.741 1.00 21.44 C ATOM 2226 CD GLU A 136 -9.676 2.802 36.496 1.00 51.53 C ATOM 2227 OE1 GLU A 136 -9.487 2.173 35.434 1.00 74.33 O ATOM 2228 OE2 GLU A 136 -10.501 2.449 37.364 1.00 2.52 O ATOM 0 H GLU A 136 -5.322 5.630 34.856 1.00 15.05 H new ATOM 0 HA GLU A 136 -7.180 5.958 36.029 1.00 73.12 H new ATOM 0 HB2 GLU A 136 -7.268 3.381 35.487 1.00 50.51 H new ATOM 0 HB3 GLU A 136 -6.968 3.180 37.202 1.00 50.51 H new ATOM 0 HG2 GLU A 136 -8.993 4.375 37.776 1.00 21.44 H new ATOM 0 HG3 GLU A 136 -9.245 4.863 36.112 1.00 21.44 H new ATOM 2235 N HIS A 137 -5.172 6.329 38.066 1.00 73.12 N ATOM 2236 CA HIS A 137 -4.740 6.772 39.387 1.00 74.13 C ATOM 2237 C HIS A 137 -5.791 7.673 40.028 1.00 13.00 C ATOM 2238 O HIS A 137 -6.141 8.721 39.484 1.00 71.12 O ATOM 2239 CB HIS A 137 -3.407 7.514 39.288 1.00 31.34 C ATOM 2240 CG HIS A 137 -2.592 7.450 40.544 1.00 55.54 C ATOM 2241 ND1 HIS A 137 -2.544 8.478 41.462 1.00 41.12 N ATOM 2242 CD2 HIS A 137 -1.793 6.474 41.032 1.00 63.33 C ATOM 2243 CE1 HIS A 137 -1.748 8.137 42.459 1.00 31.25 C ATOM 2244 NE2 HIS A 137 -1.280 6.925 42.223 1.00 63.30 N ATOM 0 H HIS A 137 -4.591 6.665 37.298 1.00 73.12 H new ATOM 0 HA HIS A 137 -4.611 5.890 40.015 1.00 74.13 H new ATOM 0 HB2 HIS A 137 -2.827 7.094 38.466 1.00 31.34 H new ATOM 0 HB3 HIS A 137 -3.599 8.558 39.042 1.00 31.34 H new ATOM 0 HD2 HIS A 137 -1.595 5.518 40.571 1.00 63.33 H new ATOM 0 HE1 HIS A 137 -1.519 8.746 43.321 1.00 31.25 H new ATOM 0 HE2 HIS A 137 -0.641 6.408 42.827 1.00 63.30 H new ATOM 2252 N HIS A 138 -6.292 7.258 41.187 1.00 30.04 N ATOM 2253 CA HIS A 138 -7.303 8.028 41.903 1.00 75.13 C ATOM 2254 C HIS A 138 -6.768 9.404 42.286 1.00 10.05 C ATOM 2255 O HIS A 138 -7.506 10.247 42.799 1.00 64.32 O ATOM 2256 CB HIS A 138 -7.756 7.276 43.155 1.00 4.31 C ATOM 2257 CG HIS A 138 -6.626 6.877 44.054 1.00 34.32 C ATOM 2258 ND1 HIS A 138 -6.005 5.648 43.981 1.00 31.23 N ATOM 2259 CD2 HIS A 138 -6.006 7.552 45.049 1.00 4.14 C ATOM 2260 CE1 HIS A 138 -5.052 5.584 44.894 1.00 51.00 C ATOM 2261 NE2 HIS A 138 -5.031 6.727 45.555 1.00 13.24 N ATOM 0 H HIS A 138 -6.014 6.393 41.650 1.00 30.04 H new ATOM 0 HA HIS A 138 -8.158 8.162 41.241 1.00 75.13 H new ATOM 0 HB2 HIS A 138 -8.451 7.903 43.714 1.00 4.31 H new ATOM 0 HB3 HIS A 138 -8.304 6.383 42.854 1.00 4.31 H new ATOM 0 HD2 HIS A 138 -6.235 8.553 45.383 1.00 4.14 H new ATOM 0 HE1 HIS A 138 -4.401 4.740 45.070 1.00 51.00 H new ATOM 0 HE2 HIS A 138 -4.394 6.960 46.317 1.00 13.24 H new TER 2269 HIS A 138