USER MOD reduce.3.24.130724 H: found=0, std=0, add=1286, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1275 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 NoAdj-H: A 1 HIS HD1 : A 1 HIS ND1 : A 173 CU1CU :(H bumps) USER MOD NoAdj-H: A 90 HIS HE2 : A 90 HIS NE2 : A 173 CU1CU :(H bumps) USER MOD Set 1.1: A 97 TYR OH : rot 165:sc= -0.0269 USER MOD Set 1.2: A 134 HIS : no HD1:sc= -0.0386 X(o=-0.066,f=0.055) USER MOD Set 2.1: A 96 HIS : no HD1:sc= -0.442 X(o=0.16,f=0.39) USER MOD Set 2.2: A 98 TYR OH : rot 169:sc= 0.602 USER MOD Set 3.1: A 83 THR OG1 : rot 180:sc= 0.515 USER MOD Set 3.2: A 133 SER OG : rot 84:sc= 0.573 USER MOD Set 4.1: A 75 MET CE :methyl -117:sc= -0.294 (180deg=-1.24) USER MOD Set 4.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 80 HIS : no HD1:sc= 0.511 K(o=0.22,f=-2.2!) USER MOD Single : A 1 HIS N :NH3+ -124:sc= 0.0558 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 156:sc= -0.278 USER MOD Single : A 15 SER OG : rot -161:sc= 0.29 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.75) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00751 USER MOD Single : A 29 MET CE :methyl -170:sc=-0.00105 (180deg=-0.0782) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0.143 K(o=0.14,f=-7.8!) USER MOD Single : A 34 SER OG : rot -30:sc= 0.252 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -124:sc= 0.388 (180deg=0.303) USER MOD Single : A 43 HIS : +bothHN:sc= 0.519 K(o=0.52,f=-1.9!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0325 K(o=-0.032,f=-0.66) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -1.36 X(o=-1.4,f=-1) USER MOD Single : A 65 GLN : amide:sc= -0.0195 X(o=-0.019,f=-0.11) USER MOD Single : A 66 SER OG : rot 170:sc= 0.468 USER MOD Single : A 68 ASN : amide:sc= -0.05 K(o=-0.05,f=-0.92) USER MOD Single : A 72 LYS NZ :NH3+ 140:sc= 0.944 (180deg=-0.5) USER MOD Single : A 73 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-1.8) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 97:sc= 0.0129 USER MOD Single : A 87 THR OG1 : rot -30:sc= 0.814 USER MOD Single : A 91 ASN : amide:sc=-0.00975 K(o=-0.0097,f=-0.81) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= -0.0438 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 150:sc= 0.68 USER MOD Single : A 101 LYS NZ :NH3+ -127:sc= -0.0721 (180deg=-0.574) USER MOD Single : A 102 LYS NZ :NH3+ -116:sc= 0.327 (180deg=-2.51) USER MOD Single : A 108 LYS NZ :NH3+ 142:sc= 0.0597 (180deg=-0.0791) USER MOD Single : A 111 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0616) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 126 SER OG : rot 180:sc= -0.0345 USER MOD Single : A 129 SER OG : rot 17:sc= 1.2 USER MOD Single : A 131 ASN : amide:sc= -0.01 K(o=-0.01,f=-1.2) USER MOD Single : A 135 HIS : no HE2:sc= 1.23 K(o=1.2,f=-4.2!) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 TYR OH : rot 130:sc= -1.03 USER MOD Single : A 146 HIS : no HE2:sc= -0.801 K(o=-0.8,f=-3.1!) USER MOD Single : A 157 THR OG1 : rot 92:sc= 0.866 USER MOD Single : A 159 ASN : amide:sc=-0.00993 X(o=-0.0099,f=-0.36) USER MOD Single : A 162 TYR OH : rot 30:sc= -0.254 USER MOD Single : A 163 GLN : amide:sc= -0.473 K(o=-0.47,f=-1.5) USER MOD Single : A 171 ASN : amide:sc= -0.0304 K(o=-0.03,f=-1.5!) USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 0.501 1.273 -1.760 1.00 25.00 N ATOM 2 CA HIS A 1 1.434 2.257 -2.388 1.00 25.00 C ATOM 3 C HIS A 1 1.181 2.315 -3.908 1.00 25.00 C ATOM 4 O HIS A 1 0.397 1.586 -4.527 1.00 25.00 O ATOM 5 CB HIS A 1 2.878 1.900 -2.052 1.00 0.00 C ATOM 6 CG HIS A 1 3.230 2.150 -0.613 1.00 0.00 C ATOM 7 ND1 HIS A 1 2.927 1.209 0.348 1.00 0.00 N ATOM 8 CD2 HIS A 1 3.707 3.274 -0.032 1.00 0.00 C ATOM 9 CE1 HIS A 1 3.384 1.816 1.495 1.00 0.00 C ATOM 10 NE2 HIS A 1 3.781 3.111 1.353 1.00 0.00 N ATOM 0 H1 HIS A 1 -0.045 1.742 -1.009 1.00 25.00 H new ATOM 0 H2 HIS A 1 -0.150 0.903 -2.481 1.00 25.00 H new ATOM 0 H3 HIS A 1 1.048 0.488 -1.352 1.00 25.00 H new ATOM 0 HA HIS A 1 1.249 3.253 -1.986 1.00 25.00 H new ATOM 0 HB2 HIS A 1 3.049 0.849 -2.284 1.00 0.00 H new ATOM 0 HB3 HIS A 1 3.546 2.480 -2.689 1.00 0.00 H new ATOM 0 HD2 HIS A 1 3.990 4.170 -0.564 1.00 0.00 H new ATOM 0 HE1 HIS A 1 3.425 1.301 2.443 1.00 0.00 H new ATOM 0 HE2 HIS A 1 4.059 3.783 2.068 1.00 0.00 H new ATOM 17 N GLY A 2 1.832 3.312 -4.499 1.00 25.00 N ATOM 18 CA GLY A 2 1.585 3.574 -5.911 1.00 25.00 C ATOM 19 C GLY A 2 2.706 4.506 -6.435 1.00 25.00 C ATOM 20 O GLY A 2 3.752 4.662 -5.874 1.00 25.00 O ATOM 0 H GLY A 2 2.507 3.928 -4.045 1.00 25.00 H new ATOM 0 HA2 GLY A 2 1.573 2.641 -6.474 1.00 25.00 H new ATOM 0 HA3 GLY A 2 0.609 4.040 -6.046 1.00 25.00 H new ATOM 24 N PHE A 3 2.412 5.121 -7.549 1.00 25.00 N ATOM 25 CA PHE A 3 3.398 5.951 -8.247 1.00 25.00 C ATOM 26 C PHE A 3 2.689 7.116 -9.031 1.00 25.00 C ATOM 27 O PHE A 3 1.436 7.066 -9.233 1.00 25.00 O ATOM 28 CB PHE A 3 4.329 5.101 -9.035 1.00 25.00 C ATOM 29 CG PHE A 3 3.572 4.095 -9.901 1.00 25.00 C ATOM 30 CD1 PHE A 3 3.192 4.489 -11.159 1.00 50.00 C ATOM 31 CD2 PHE A 3 3.282 2.756 -9.465 1.00 50.00 C ATOM 32 CE1 PHE A 3 2.447 3.588 -12.057 1.00 25.00 C ATOM 33 CE2 PHE A 3 2.578 1.900 -10.267 1.00 25.00 C ATOM 34 CZ PHE A 3 2.194 2.282 -11.628 1.00 25.00 C ATOM 0 H PHE A 3 1.501 5.072 -8.005 1.00 25.00 H new ATOM 0 HA PHE A 3 4.041 6.465 -7.533 1.00 25.00 H new ATOM 0 HB2 PHE A 3 4.952 5.732 -9.669 1.00 25.00 H new ATOM 0 HB3 PHE A 3 4.999 4.569 -8.359 1.00 25.00 H new ATOM 0 HD1 PHE A 3 3.445 5.482 -11.499 1.00 50.00 H new ATOM 0 HD2 PHE A 3 3.623 2.423 -8.496 1.00 50.00 H new ATOM 0 HE1 PHE A 3 2.105 3.929 -13.023 1.00 25.00 H new ATOM 0 HE2 PHE A 3 2.301 0.926 -9.890 1.00 25.00 H new ATOM 0 HZ PHE A 3 1.724 1.568 -12.288 1.00 25.00 H new ATOM 44 N ILE A 4 3.479 8.100 -9.384 1.00 25.00 N ATOM 45 CA ILE A 4 2.963 9.265 -10.130 1.00 25.00 C ATOM 46 C ILE A 4 2.933 8.998 -11.643 1.00 25.00 C ATOM 47 O ILE A 4 3.910 8.471 -12.140 1.00 25.00 O ATOM 48 CB ILE A 4 3.873 10.486 -9.845 1.00 25.00 C ATOM 49 CG1 ILE A 4 4.178 10.645 -8.332 1.00 25.00 C ATOM 50 CG2 ILE A 4 3.284 11.762 -10.406 1.00 25.00 C ATOM 51 CD1 ILE A 4 2.953 11.051 -7.517 1.00 25.00 C ATOM 0 H ILE A 4 4.477 8.136 -9.178 1.00 25.00 H new ATOM 0 HA ILE A 4 1.942 9.459 -9.801 1.00 25.00 H new ATOM 0 HB ILE A 4 4.818 10.295 -10.354 1.00 25.00 H new ATOM 0 HG12 ILE A 4 4.570 9.704 -7.945 1.00 25.00 H new ATOM 0 HG13 ILE A 4 4.959 11.394 -8.201 1.00 25.00 H new ATOM 0 HG21 ILE A 4 3.950 12.597 -10.187 1.00 25.00 H new ATOM 0 HG22 ILE A 4 3.167 11.665 -11.485 1.00 25.00 H new ATOM 0 HG23 ILE A 4 2.311 11.945 -9.950 1.00 25.00 H new ATOM 0 HD11 ILE A 4 3.230 11.146 -6.467 1.00 25.00 H new ATOM 0 HD12 ILE A 4 2.574 12.006 -7.881 1.00 25.00 H new ATOM 0 HD13 ILE A 4 2.179 10.291 -7.621 1.00 25.00 H new ATOM 63 N GLU A 5 1.897 9.407 -12.394 1.00 25.00 N ATOM 64 CA GLU A 5 1.678 8.965 -13.747 1.00 25.00 C ATOM 65 C GLU A 5 1.671 10.258 -14.559 1.00 25.00 C ATOM 66 O GLU A 5 0.897 10.343 -15.501 1.00 25.00 O ATOM 67 CB GLU A 5 0.444 8.172 -13.834 1.00 25.00 C ATOM 68 CG GLU A 5 0.549 6.674 -13.619 1.00 25.00 C ATOM 69 CD GLU A 5 1.150 5.925 -14.819 1.00 25.00 C ATOM 70 OE1 GLU A 5 2.371 6.001 -15.011 1.00 25.00 O ATOM 71 OE2 GLU A 5 0.416 5.301 -15.603 1.00 25.00 O1- ATOM 0 H GLU A 5 1.190 10.061 -12.058 1.00 25.00 H new ATOM 0 HA GLU A 5 2.441 8.288 -14.131 1.00 25.00 H new ATOM 0 HB2 GLU A 5 -0.260 8.567 -13.102 1.00 25.00 H new ATOM 0 HB3 GLU A 5 0.007 8.339 -14.819 1.00 25.00 H new ATOM 0 HG2 GLU A 5 1.161 6.483 -12.738 1.00 25.00 H new ATOM 0 HG3 GLU A 5 -0.443 6.274 -13.411 1.00 25.00 H new ATOM 78 N LYS A 6 2.560 11.183 -14.197 1.00 25.00 N ATOM 79 CA LYS A 6 2.879 12.412 -14.886 1.00 25.00 C ATOM 80 C LYS A 6 1.808 13.538 -14.715 1.00 25.00 C ATOM 81 O LYS A 6 0.607 13.359 -14.707 1.00 25.00 O ATOM 82 CB LYS A 6 3.177 12.309 -16.354 1.00 25.00 C ATOM 83 CG LYS A 6 4.396 11.460 -16.692 1.00 25.00 C ATOM 84 CD LYS A 6 4.708 11.567 -18.141 1.00 25.00 C ATOM 85 CE LYS A 6 5.811 10.552 -18.424 1.00 25.00 C ATOM 86 NZ LYS A 6 6.068 10.754 -19.865 1.00 25.00 N1+ ATOM 0 H LYS A 6 3.113 11.074 -13.347 1.00 25.00 H new ATOM 0 HA LYS A 6 3.805 12.673 -14.374 1.00 25.00 H new ATOM 0 HB2 LYS A 6 2.307 11.891 -16.860 1.00 25.00 H new ATOM 0 HB3 LYS A 6 3.326 13.312 -16.753 1.00 25.00 H new ATOM 0 HG2 LYS A 6 5.252 11.788 -16.103 1.00 25.00 H new ATOM 0 HG3 LYS A 6 4.208 10.419 -16.429 1.00 25.00 H new ATOM 0 HD2 LYS A 6 3.825 11.358 -18.744 1.00 25.00 H new ATOM 0 HD3 LYS A 6 5.035 12.576 -18.394 1.00 25.00 H new ATOM 0 HE2 LYS A 6 6.700 10.741 -17.823 1.00 25.00 H new ATOM 0 HE3 LYS A 6 5.490 9.533 -18.208 1.00 25.00 H new ATOM 0 HZ1 LYS A 6 6.817 10.104 -20.179 1.00 25.00 H new ATOM 0 HZ2 LYS A 6 5.198 10.565 -20.403 1.00 25.00 H new ATOM 0 HZ3 LYS A 6 6.371 11.735 -20.029 1.00 25.00 H new ATOM 100 N PRO A 7 2.268 14.816 -14.681 1.00 25.00 N ATOM 101 CA PRO A 7 3.637 15.322 -14.414 1.00 25.00 C ATOM 102 C PRO A 7 4.248 14.837 -13.143 1.00 25.00 C ATOM 103 O PRO A 7 3.542 14.610 -12.134 1.00 25.00 O ATOM 104 CB PRO A 7 3.451 16.853 -14.409 1.00 25.00 C ATOM 105 CG PRO A 7 2.134 17.063 -15.184 1.00 25.00 C ATOM 106 CD PRO A 7 1.293 15.901 -14.752 1.00 25.00 C ATOM 0 HA PRO A 7 4.340 14.960 -15.164 1.00 25.00 H new ATOM 0 HB2 PRO A 7 3.385 17.245 -13.394 1.00 25.00 H new ATOM 0 HB3 PRO A 7 4.286 17.360 -14.893 1.00 25.00 H new ATOM 0 HG2 PRO A 7 1.666 18.015 -14.932 1.00 25.00 H new ATOM 0 HG3 PRO A 7 2.297 17.064 -16.262 1.00 25.00 H new ATOM 0 HD2 PRO A 7 0.815 16.081 -13.789 1.00 25.00 H new ATOM 0 HD3 PRO A 7 0.498 15.687 -15.467 1.00 25.00 H new ATOM 114 N GLY A 8 5.584 14.674 -13.159 1.00 25.00 N ATOM 115 CA GLY A 8 6.393 14.361 -12.001 1.00 25.00 C ATOM 116 C GLY A 8 6.678 12.879 -11.903 1.00 25.00 C ATOM 117 O GLY A 8 6.861 12.402 -10.832 1.00 25.00 O ATOM 0 H GLY A 8 6.133 14.763 -14.014 1.00 25.00 H new ATOM 0 HA2 GLY A 8 7.333 14.910 -12.055 1.00 25.00 H new ATOM 0 HA3 GLY A 8 5.881 14.694 -11.098 1.00 25.00 H new ATOM 121 N SER A 9 6.817 12.181 -13.013 1.00 25.00 N ATOM 122 CA SER A 9 7.054 10.773 -12.947 1.00 25.00 C ATOM 123 C SER A 9 8.484 10.555 -12.549 1.00 25.00 C ATOM 124 O SER A 9 9.374 11.237 -13.102 1.00 25.00 O ATOM 125 CB SER A 9 6.786 10.105 -14.324 1.00 25.00 C ATOM 126 OG SER A 9 7.097 8.691 -14.221 1.00 25.00 O ATOM 0 H SER A 9 6.769 12.570 -13.955 1.00 25.00 H new ATOM 0 HA SER A 9 6.381 10.324 -12.217 1.00 25.00 H new ATOM 0 HB2 SER A 9 5.745 10.243 -14.615 1.00 25.00 H new ATOM 0 HB3 SER A 9 7.398 10.572 -15.096 1.00 25.00 H new ATOM 0 HG SER A 9 6.597 8.196 -14.903 1.00 25.00 H new ATOM 132 N ARG A 10 8.754 9.585 -11.666 1.00 25.00 N ATOM 133 CA ARG A 10 10.141 9.290 -11.328 1.00 25.00 C ATOM 134 C ARG A 10 10.653 8.306 -12.395 1.00 25.00 C ATOM 135 O ARG A 10 11.832 8.122 -12.631 1.00 25.00 O ATOM 136 CB ARG A 10 10.265 8.745 -9.891 1.00 25.00 C ATOM 137 CG ARG A 10 11.634 8.974 -9.286 1.00 25.00 C ATOM 138 CD ARG A 10 11.585 8.584 -7.849 1.00 25.00 C ATOM 139 NE ARG A 10 12.857 8.813 -7.224 1.00 25.00 N ATOM 140 CZ ARG A 10 13.142 8.735 -5.946 1.00 25.00 C ATOM 141 NH1 ARG A 10 14.324 9.066 -5.523 1.00 25.00 N1+ ATOM 142 NH2 ARG A 10 12.271 8.320 -5.027 1.00 25.00 N ATOM 0 H ARG A 10 8.056 9.013 -11.191 1.00 25.00 H new ATOM 0 HA ARG A 10 10.755 10.191 -11.336 1.00 25.00 H new ATOM 0 HB2 ARG A 10 9.512 9.220 -9.262 1.00 25.00 H new ATOM 0 HB3 ARG A 10 10.050 7.677 -9.894 1.00 25.00 H new ATOM 0 HG2 ARG A 10 12.385 8.385 -9.813 1.00 25.00 H new ATOM 0 HG3 ARG A 10 11.922 10.021 -9.385 1.00 25.00 H new ATOM 0 HD2 ARG A 10 10.812 9.157 -7.336 1.00 25.00 H new ATOM 0 HD3 ARG A 10 11.313 7.532 -7.760 1.00 25.00 H new ATOM 0 HE ARG A 10 13.627 9.065 -7.844 1.00 25.00 H new ATOM 0 HH11 ARG A 10 15.031 9.387 -6.184 1.00 25.00 H new ATOM 0 HH12 ARG A 10 14.546 9.005 -4.529 1.00 25.00 H new ATOM 0 HH21 ARG A 10 11.329 8.043 -5.305 1.00 25.00 H new ATOM 0 HH22 ARG A 10 12.546 8.279 -4.046 1.00 25.00 H new ATOM 156 N ALA A 11 9.724 7.680 -13.087 1.00 25.00 N ATOM 157 CA ALA A 11 10.043 6.695 -14.104 1.00 25.00 C ATOM 158 C ALA A 11 10.730 7.430 -15.252 1.00 25.00 C ATOM 159 O ALA A 11 11.699 6.952 -15.854 1.00 25.00 O ATOM 160 CB ALA A 11 8.755 5.954 -14.579 1.00 25.00 C ATOM 0 H ALA A 11 8.724 7.839 -12.961 1.00 25.00 H new ATOM 0 HA ALA A 11 10.709 5.929 -13.706 1.00 25.00 H new ATOM 0 HB1 ALA A 11 9.017 5.220 -15.341 1.00 25.00 H new ATOM 0 HB2 ALA A 11 8.293 5.447 -13.732 1.00 25.00 H new ATOM 0 HB3 ALA A 11 8.053 6.676 -14.997 1.00 25.00 H new ATOM 166 N ALA A 12 10.293 8.640 -15.507 1.00 25.00 N ATOM 167 CA ALA A 12 10.885 9.427 -16.633 1.00 25.00 C ATOM 168 C ALA A 12 12.263 9.948 -16.246 1.00 25.00 C ATOM 169 O ALA A 12 13.032 10.328 -17.145 1.00 25.00 O ATOM 170 CB ALA A 12 9.998 10.533 -16.901 1.00 25.00 C ATOM 0 H ALA A 12 9.555 9.114 -14.986 1.00 25.00 H new ATOM 0 HA ALA A 12 10.999 8.800 -17.517 1.00 25.00 H new ATOM 0 HB1 ALA A 12 10.399 11.131 -17.719 1.00 25.00 H new ATOM 0 HB2 ALA A 12 9.015 10.152 -17.178 1.00 25.00 H new ATOM 0 HB3 ALA A 12 9.909 11.153 -16.009 1.00 25.00 H new ATOM 176 N LEU A 13 12.615 9.920 -14.962 1.00 25.00 N ATOM 177 CA LEU A 13 13.939 10.353 -14.504 1.00 25.00 C ATOM 178 C LEU A 13 14.782 9.056 -14.504 1.00 25.00 C ATOM 179 O LEU A 13 15.996 9.131 -14.621 1.00 25.00 O ATOM 180 CB LEU A 13 13.878 10.978 -13.121 1.00 25.00 C ATOM 181 CG LEU A 13 12.961 12.136 -12.812 1.00 25.00 C ATOM 182 CD1 LEU A 13 13.147 12.442 -11.250 1.00 75.00 C ATOM 183 CD2 LEU A 13 13.135 13.406 -13.651 1.00 75.00 C ATOM 0 H LEU A 13 11.999 9.600 -14.214 1.00 25.00 H new ATOM 0 HA LEU A 13 14.365 11.126 -15.144 1.00 25.00 H new ATOM 0 HB2 LEU A 13 13.623 10.179 -12.425 1.00 25.00 H new ATOM 0 HB3 LEU A 13 14.889 11.303 -12.877 1.00 25.00 H new ATOM 0 HG LEU A 13 11.950 11.831 -13.081 1.00 25.00 H new ATOM 0 HD11 LEU A 13 12.506 13.275 -10.964 1.00 75.00 H new ATOM 0 HD12 LEU A 13 12.875 11.559 -10.671 1.00 75.00 H new ATOM 0 HD13 LEU A 13 14.187 12.700 -11.051 1.00 75.00 H new ATOM 0 HD21 LEU A 13 12.416 14.158 -13.327 1.00 75.00 H new ATOM 0 HD22 LEU A 13 14.146 13.792 -13.522 1.00 75.00 H new ATOM 0 HD23 LEU A 13 12.967 13.173 -14.703 1.00 75.00 H new ATOM 195 N CYS A 14 14.161 7.878 -14.450 1.00 25.00 N ATOM 196 CA CYS A 14 14.930 6.603 -14.348 1.00 25.00 C ATOM 197 C CYS A 14 15.211 6.126 -15.788 1.00 25.00 C ATOM 198 O CYS A 14 16.203 5.422 -16.008 1.00 25.00 O ATOM 199 CB CYS A 14 14.092 5.509 -13.677 1.00 25.00 C ATOM 200 SG CYS A 14 14.887 4.778 -12.227 1.00 25.00 S ATOM 0 H CYS A 14 13.148 7.763 -14.473 1.00 25.00 H new ATOM 0 HA CYS A 14 15.836 6.777 -13.767 1.00 25.00 H new ATOM 0 HB2 CYS A 14 13.131 5.929 -13.381 1.00 25.00 H new ATOM 0 HB3 CYS A 14 13.886 4.723 -14.404 1.00 25.00 H new ATOM 205 N SER A 15 14.388 6.516 -16.760 1.00 25.00 N ATOM 206 CA SER A 15 14.601 6.252 -18.148 1.00 25.00 C ATOM 207 C SER A 15 15.854 6.864 -18.785 1.00 25.00 C ATOM 208 O SER A 15 15.918 8.071 -18.941 1.00 25.00 O ATOM 209 CB SER A 15 13.371 6.752 -18.930 1.00 25.00 C ATOM 210 OG SER A 15 13.663 6.608 -20.348 1.00 25.00 O ATOM 0 H SER A 15 13.532 7.040 -16.578 1.00 25.00 H new ATOM 0 HA SER A 15 14.755 5.174 -18.205 1.00 25.00 H new ATOM 0 HB2 SER A 15 12.486 6.176 -18.661 1.00 25.00 H new ATOM 0 HB3 SER A 15 13.160 7.793 -18.686 1.00 25.00 H new ATOM 0 HG SER A 15 13.056 7.177 -20.866 1.00 25.00 H new ATOM 216 N GLU A 16 16.840 6.068 -19.190 1.00 25.00 N ATOM 217 CA GLU A 16 18.052 6.507 -19.855 1.00 25.00 C ATOM 218 C GLU A 16 17.671 6.892 -21.278 1.00 25.00 C ATOM 219 O GLU A 16 18.256 7.796 -21.860 1.00 25.00 O ATOM 220 CB GLU A 16 18.999 5.312 -19.867 1.00 25.00 C ATOM 221 CG GLU A 16 20.366 5.553 -20.444 1.00 25.00 C ATOM 222 CD GLU A 16 21.283 4.395 -20.243 1.00 25.00 C ATOM 223 OE1 GLU A 16 22.437 4.596 -20.661 1.00 25.00 O ATOM 224 OE2 GLU A 16 20.955 3.278 -19.774 1.00 25.00 O1- ATOM 0 H GLU A 16 16.810 5.057 -19.055 1.00 25.00 H new ATOM 0 HA GLU A 16 18.525 7.356 -19.362 1.00 25.00 H new ATOM 0 HB2 GLU A 16 19.117 4.958 -18.843 1.00 25.00 H new ATOM 0 HB3 GLU A 16 18.527 4.507 -20.430 1.00 25.00 H new ATOM 0 HG2 GLU A 16 20.275 5.760 -21.510 1.00 25.00 H new ATOM 0 HG3 GLU A 16 20.800 6.440 -19.983 1.00 25.00 H new ATOM 231 N ALA A 17 16.671 6.234 -21.867 1.00 25.00 N ATOM 232 CA ALA A 17 16.292 6.542 -23.234 1.00 25.00 C ATOM 233 C ALA A 17 15.781 8.035 -23.336 1.00 25.00 C ATOM 234 O ALA A 17 16.002 8.738 -24.344 1.00 25.00 O ATOM 235 CB ALA A 17 15.275 5.559 -23.674 1.00 25.00 C ATOM 0 H ALA A 17 16.121 5.498 -21.423 1.00 25.00 H new ATOM 0 HA ALA A 17 17.151 6.464 -23.900 1.00 25.00 H new ATOM 0 HB1 ALA A 17 14.979 5.776 -24.700 1.00 25.00 H new ATOM 0 HB2 ALA A 17 15.694 4.554 -23.622 1.00 25.00 H new ATOM 0 HB3 ALA A 17 14.403 5.622 -23.024 1.00 25.00 H new ATOM 241 N PHE A 18 15.046 8.497 -22.344 1.00 25.00 N ATOM 242 CA PHE A 18 14.613 9.856 -22.352 1.00 25.00 C ATOM 243 C PHE A 18 15.652 10.933 -22.654 1.00 25.00 C ATOM 244 O PHE A 18 15.424 11.868 -23.491 1.00 25.00 O ATOM 245 CB PHE A 18 13.907 10.186 -21.020 1.00 25.00 C ATOM 246 CG PHE A 18 13.082 11.471 -21.009 1.00 25.00 C ATOM 247 CD1 PHE A 18 13.696 12.710 -20.597 1.00 50.00 C ATOM 248 CD2 PHE A 18 11.766 11.485 -21.378 1.00 50.00 C ATOM 249 CE1 PHE A 18 12.935 13.918 -20.709 1.00 25.00 C ATOM 250 CE2 PHE A 18 11.048 12.735 -21.445 1.00 25.00 C ATOM 251 CZ PHE A 18 11.661 13.928 -21.111 1.00 25.00 C ATOM 0 H PHE A 18 14.746 7.950 -21.537 1.00 25.00 H new ATOM 0 HA PHE A 18 13.940 9.899 -23.209 1.00 25.00 H new ATOM 0 HB2 PHE A 18 13.253 9.354 -20.761 1.00 25.00 H new ATOM 0 HB3 PHE A 18 14.662 10.254 -20.237 1.00 25.00 H new ATOM 0 HD1 PHE A 18 14.705 12.726 -20.213 1.00 50.00 H new ATOM 0 HD2 PHE A 18 11.263 10.560 -21.620 1.00 50.00 H new ATOM 0 HE1 PHE A 18 13.409 14.856 -20.459 1.00 25.00 H new ATOM 0 HE2 PHE A 18 10.015 12.738 -21.761 1.00 25.00 H new ATOM 0 HZ PHE A 18 11.116 14.858 -21.174 1.00 25.00 H new ATOM 261 N GLY A 19 16.810 10.799 -22.029 1.00 25.00 N ATOM 262 CA GLY A 19 17.877 11.773 -22.069 1.00 25.00 C ATOM 263 C GLY A 19 18.922 11.135 -22.934 1.00 25.00 C ATOM 264 O GLY A 19 20.092 11.486 -22.795 1.00 25.00 O ATOM 0 H GLY A 19 17.036 9.981 -21.463 1.00 25.00 H new ATOM 0 HA2 GLY A 19 17.537 12.720 -22.488 1.00 25.00 H new ATOM 0 HA3 GLY A 19 18.261 11.985 -21.071 1.00 25.00 H new ATOM 268 N PHE A 20 18.508 10.155 -23.732 1.00 25.00 N ATOM 269 CA PHE A 20 19.330 9.156 -24.459 1.00 25.00 C ATOM 270 C PHE A 20 20.451 8.437 -23.799 1.00 25.00 C ATOM 271 O PHE A 20 20.526 7.212 -23.885 1.00 25.00 O ATOM 272 CB PHE A 20 19.860 9.700 -25.818 1.00 25.00 C ATOM 273 CG PHE A 20 20.155 8.694 -26.918 1.00 25.00 C ATOM 274 CD1 PHE A 20 19.187 7.816 -27.438 1.00 50.00 C ATOM 275 CD2 PHE A 20 21.506 8.532 -27.423 1.00 50.00 C ATOM 276 CE1 PHE A 20 19.494 6.963 -28.533 1.00 25.00 C ATOM 277 CE2 PHE A 20 21.845 7.600 -28.427 1.00 25.00 C ATOM 278 CZ PHE A 20 20.798 6.834 -28.996 1.00 25.00 C ATOM 0 H PHE A 20 17.513 10.016 -23.910 1.00 25.00 H new ATOM 0 HA PHE A 20 18.560 8.389 -24.546 1.00 25.00 H new ATOM 0 HB2 PHE A 20 19.129 10.411 -26.202 1.00 25.00 H new ATOM 0 HB3 PHE A 20 20.775 10.259 -25.621 1.00 25.00 H new ATOM 0 HD1 PHE A 20 18.200 7.790 -27.001 1.00 50.00 H new ATOM 0 HD2 PHE A 20 22.288 9.153 -27.012 1.00 50.00 H new ATOM 0 HE1 PHE A 20 18.702 6.407 -29.012 1.00 25.00 H new ATOM 0 HE2 PHE A 20 22.868 7.475 -28.751 1.00 25.00 H new ATOM 0 HZ PHE A 20 21.015 6.143 -29.797 1.00 25.00 H new ATOM 288 N LEU A 21 21.352 9.137 -23.147 1.00 25.00 N ATOM 289 CA LEU A 21 22.546 8.571 -22.484 1.00 25.00 C ATOM 290 C LEU A 21 22.560 8.822 -20.998 1.00 25.00 C ATOM 291 O LEU A 21 23.457 8.394 -20.251 1.00 25.00 O ATOM 292 CB LEU A 21 23.800 9.249 -23.053 1.00 25.00 C ATOM 293 CG LEU A 21 24.049 9.133 -24.552 1.00 25.00 C ATOM 294 CD1 LEU A 21 25.370 9.794 -25.003 1.00 50.00 C ATOM 295 CD2 LEU A 21 24.206 7.677 -25.042 1.00 50.00 C ATOM 0 H LEU A 21 21.288 10.150 -23.050 1.00 25.00 H new ATOM 0 HA LEU A 21 22.526 7.496 -22.665 1.00 25.00 H new ATOM 0 HB2 LEU A 21 23.752 10.309 -22.802 1.00 25.00 H new ATOM 0 HB3 LEU A 21 24.667 8.838 -22.536 1.00 25.00 H new ATOM 0 HG LEU A 21 23.167 9.621 -24.968 1.00 25.00 H new ATOM 0 HD11 LEU A 21 25.487 9.676 -26.080 1.00 50.00 H new ATOM 0 HD12 LEU A 21 25.349 10.855 -24.754 1.00 50.00 H new ATOM 0 HD13 LEU A 21 26.208 9.318 -24.493 1.00 50.00 H new ATOM 0 HD21 LEU A 21 24.381 7.672 -26.118 1.00 50.00 H new ATOM 0 HD22 LEU A 21 25.051 7.212 -24.535 1.00 50.00 H new ATOM 0 HD23 LEU A 21 23.297 7.118 -24.819 1.00 50.00 H new ATOM 307 N ASN A 22 21.635 9.597 -20.551 1.00 25.00 N ATOM 308 CA ASN A 22 21.689 10.162 -19.204 1.00 25.00 C ATOM 309 C ASN A 22 20.451 9.763 -18.475 1.00 25.00 C ATOM 310 O ASN A 22 19.419 9.510 -19.164 1.00 25.00 O ATOM 311 CB ASN A 22 21.746 11.748 -19.334 1.00 25.00 C ATOM 312 CG ASN A 22 22.804 12.227 -20.347 1.00 25.00 C ATOM 313 OD1 ASN A 22 23.952 11.830 -20.266 1.00 25.00 O ATOM 314 ND2 ASN A 22 22.406 13.094 -21.244 1.00 25.00 N ATOM 0 H ASN A 22 20.813 9.870 -21.089 1.00 25.00 H new ATOM 0 HA ASN A 22 22.564 9.802 -18.663 1.00 25.00 H new ATOM 0 HB2 ASN A 22 20.766 12.119 -19.636 1.00 25.00 H new ATOM 0 HB3 ASN A 22 21.963 12.180 -18.357 1.00 25.00 H new ATOM 0 HD21 ASN A 22 23.071 13.471 -21.920 1.00 25.00 H new ATOM 0 HD22 ASN A 22 21.431 13.393 -21.267 1.00 25.00 H new ATOM 321 N LEU A 23 20.486 9.689 -17.171 1.00 25.00 N ATOM 322 CA LEU A 23 19.353 9.276 -16.307 1.00 25.00 C ATOM 323 C LEU A 23 19.702 9.780 -14.939 1.00 25.00 C ATOM 324 O LEU A 23 20.842 10.153 -14.785 1.00 25.00 O ATOM 325 CB LEU A 23 19.136 7.768 -16.339 1.00 25.00 C ATOM 326 CG LEU A 23 20.314 6.826 -15.899 1.00 25.00 C ATOM 327 CD1 LEU A 23 19.601 5.465 -15.601 1.00 50.00 C ATOM 328 CD2 LEU A 23 21.503 6.612 -16.817 1.00 50.00 C ATOM 0 H LEU A 23 21.325 9.918 -16.638 1.00 25.00 H new ATOM 0 HA LEU A 23 18.406 9.692 -16.650 1.00 25.00 H new ATOM 0 HB2 LEU A 23 18.279 7.544 -15.704 1.00 25.00 H new ATOM 0 HB3 LEU A 23 18.858 7.496 -17.357 1.00 25.00 H new ATOM 0 HG LEU A 23 20.819 7.318 -15.068 1.00 25.00 H new ATOM 0 HD11 LEU A 23 20.340 4.729 -15.283 1.00 50.00 H new ATOM 0 HD12 LEU A 23 18.865 5.606 -14.810 1.00 50.00 H new ATOM 0 HD13 LEU A 23 19.101 5.111 -16.503 1.00 50.00 H new ATOM 0 HD21 LEU A 23 22.211 5.932 -16.343 1.00 50.00 H new ATOM 0 HD22 LEU A 23 21.163 6.182 -17.759 1.00 50.00 H new ATOM 0 HD23 LEU A 23 21.991 7.568 -17.010 1.00 50.00 H new ATOM 340 N ASN A 24 18.731 9.761 -14.027 1.00 25.00 N ATOM 341 CA ASN A 24 18.785 10.548 -12.785 1.00 25.00 C ATOM 342 C ASN A 24 17.735 10.255 -11.723 1.00 25.00 C ATOM 343 O ASN A 24 17.204 11.162 -11.089 1.00 25.00 O ATOM 344 CB ASN A 24 18.765 12.023 -13.227 1.00 25.00 C ATOM 345 CG ASN A 24 17.424 12.505 -13.658 1.00 25.00 C ATOM 346 OD1 ASN A 24 16.883 13.367 -13.000 1.00 25.00 O ATOM 347 ND2 ASN A 24 16.971 12.146 -14.776 1.00 25.00 N ATOM 0 H ASN A 24 17.883 9.202 -14.123 1.00 25.00 H new ATOM 0 HA ASN A 24 19.693 10.265 -12.253 1.00 25.00 H new ATOM 0 HB2 ASN A 24 19.116 12.644 -12.403 1.00 25.00 H new ATOM 0 HB3 ASN A 24 19.469 12.156 -14.048 1.00 25.00 H new ATOM 0 HD21 ASN A 24 16.128 12.583 -15.149 1.00 25.00 H new ATOM 0 HD22 ASN A 24 17.446 11.418 -15.309 1.00 25.00 H new ATOM 354 N CYS A 25 17.450 8.974 -11.500 1.00 25.00 N ATOM 355 CA CYS A 25 16.259 8.544 -10.725 1.00 25.00 C ATOM 356 C CYS A 25 16.336 8.915 -9.225 1.00 25.00 C ATOM 357 O CYS A 25 15.349 8.958 -8.527 1.00 25.00 O ATOM 358 CB CYS A 25 16.237 7.033 -10.919 1.00 25.00 C ATOM 359 SG CYS A 25 14.644 6.162 -10.812 1.00 25.00 S ATOM 0 H CYS A 25 18.023 8.202 -11.842 1.00 25.00 H new ATOM 0 HA CYS A 25 15.354 9.043 -11.071 1.00 25.00 H new ATOM 0 HB2 CYS A 25 16.665 6.819 -11.898 1.00 25.00 H new ATOM 0 HB3 CYS A 25 16.904 6.595 -10.177 1.00 25.00 H new ATOM 364 N GLY A 26 17.558 9.107 -8.741 1.00 25.00 N ATOM 365 CA GLY A 26 17.735 9.385 -7.302 1.00 25.00 C ATOM 366 C GLY A 26 17.891 8.145 -6.485 1.00 25.00 C ATOM 367 O GLY A 26 16.936 7.603 -6.029 1.00 25.00 O ATOM 0 H GLY A 26 18.417 9.079 -9.291 1.00 25.00 H new ATOM 0 HA2 GLY A 26 18.612 10.017 -7.165 1.00 25.00 H new ATOM 0 HA3 GLY A 26 16.876 9.948 -6.938 1.00 25.00 H new ATOM 371 N SER A 27 19.132 7.772 -6.238 1.00 25.00 N ATOM 372 CA SER A 27 19.377 6.473 -5.618 1.00 25.00 C ATOM 373 C SER A 27 18.901 6.361 -4.163 1.00 25.00 C ATOM 374 O SER A 27 18.756 5.218 -3.664 1.00 25.00 O ATOM 375 CB SER A 27 20.811 6.153 -5.706 1.00 25.00 C ATOM 376 OG SER A 27 21.311 6.570 -6.947 1.00 25.00 O ATOM 0 H SER A 27 19.964 8.324 -6.446 1.00 25.00 H new ATOM 0 HA SER A 27 18.780 5.752 -6.176 1.00 25.00 H new ATOM 0 HB2 SER A 27 21.354 6.646 -4.900 1.00 25.00 H new ATOM 0 HB3 SER A 27 20.963 5.081 -5.583 1.00 25.00 H new ATOM 0 HG SER A 27 22.266 6.358 -7.003 1.00 25.00 H new ATOM 382 N VAL A 28 18.504 7.487 -3.575 1.00 25.00 N ATOM 383 CA VAL A 28 17.824 7.567 -2.298 1.00 25.00 C ATOM 384 C VAL A 28 16.558 6.707 -2.176 1.00 25.00 C ATOM 385 O VAL A 28 16.087 6.374 -1.071 1.00 25.00 O ATOM 386 CB VAL A 28 17.522 9.053 -1.842 1.00 25.00 C ATOM 387 CG1 VAL A 28 16.244 9.561 -2.517 1.00 50.00 C ATOM 388 CG2 VAL A 28 17.584 9.220 -0.313 1.00 50.00 C ATOM 0 H VAL A 28 18.657 8.403 -3.998 1.00 25.00 H new ATOM 0 HA VAL A 28 18.553 7.136 -1.612 1.00 25.00 H new ATOM 0 HB VAL A 28 18.318 9.711 -2.191 1.00 25.00 H new ATOM 0 HG11 VAL A 28 16.045 10.584 -2.197 1.00 50.00 H new ATOM 0 HG12 VAL A 28 16.370 9.538 -3.599 1.00 50.00 H new ATOM 0 HG13 VAL A 28 15.406 8.923 -2.236 1.00 50.00 H new ATOM 0 HG21 VAL A 28 17.370 10.256 -0.051 1.00 50.00 H new ATOM 0 HG22 VAL A 28 16.846 8.568 0.154 1.00 50.00 H new ATOM 0 HG23 VAL A 28 18.580 8.955 0.042 1.00 50.00 H new ATOM 398 N MET A 29 16.057 6.194 -3.288 1.00 25.00 N ATOM 399 CA MET A 29 14.779 5.515 -3.442 1.00 25.00 C ATOM 400 C MET A 29 14.553 4.132 -2.837 1.00 25.00 C ATOM 401 O MET A 29 13.681 3.387 -3.187 1.00 25.00 O ATOM 402 CB MET A 29 14.471 5.408 -4.952 1.00 25.00 C ATOM 403 CG MET A 29 15.422 4.455 -5.701 1.00 25.00 C ATOM 404 SD MET A 29 15.201 4.782 -7.456 1.00 25.00 S ATOM 405 CE MET A 29 13.412 4.321 -7.851 1.00 25.00 C ATOM 0 H MET A 29 16.568 6.244 -4.169 1.00 25.00 H new ATOM 0 HA MET A 29 14.118 6.148 -2.850 1.00 25.00 H new ATOM 0 HB2 MET A 29 13.445 5.064 -5.083 1.00 25.00 H new ATOM 0 HB3 MET A 29 14.534 6.400 -5.400 1.00 25.00 H new ATOM 0 HG2 MET A 29 16.456 4.626 -5.402 1.00 25.00 H new ATOM 0 HG3 MET A 29 15.191 3.415 -5.469 1.00 25.00 H new ATOM 0 HE1 MET A 29 13.265 4.328 -8.931 1.00 25.00 H new ATOM 0 HE2 MET A 29 13.198 3.326 -7.462 1.00 25.00 H new ATOM 0 HE3 MET A 29 12.739 5.043 -7.389 1.00 25.00 H new ATOM 415 N TYR A 30 15.391 3.745 -1.877 1.00 25.00 N ATOM 416 CA TYR A 30 15.260 2.393 -1.324 1.00 25.00 C ATOM 417 C TYR A 30 13.908 2.189 -0.591 1.00 25.00 C ATOM 418 O TYR A 30 13.254 1.158 -0.796 1.00 25.00 O ATOM 419 CB TYR A 30 16.347 2.163 -0.265 1.00 25.00 C ATOM 420 CG TYR A 30 16.316 0.774 0.312 1.00 25.00 C ATOM 421 CD1 TYR A 30 16.502 -0.323 -0.540 1.00 50.00 C ATOM 422 CD2 TYR A 30 16.168 0.537 1.691 1.00 50.00 C ATOM 423 CE1 TYR A 30 16.544 -1.623 -0.079 1.00 25.00 C ATOM 424 CE2 TYR A 30 16.223 -0.761 2.223 1.00 25.00 C ATOM 425 CZ TYR A 30 16.486 -1.829 1.341 1.00 25.00 C ATOM 426 OH TYR A 30 16.674 -3.129 1.880 1.00 25.00 O ATOM 0 H TYR A 30 16.136 4.316 -1.479 1.00 25.00 H new ATOM 0 HA TYR A 30 15.339 1.706 -2.166 1.00 25.00 H new ATOM 0 HB2 TYR A 30 17.325 2.345 -0.710 1.00 25.00 H new ATOM 0 HB3 TYR A 30 16.223 2.888 0.539 1.00 25.00 H new ATOM 0 HD1 TYR A 30 16.617 -0.144 -1.599 1.00 50.00 H new ATOM 0 HD2 TYR A 30 16.008 1.373 2.356 1.00 50.00 H new ATOM 0 HE1 TYR A 30 16.618 -2.456 -0.762 1.00 25.00 H new ATOM 0 HE2 TYR A 30 16.068 -0.936 3.277 1.00 25.00 H new ATOM 0 HH TYR A 30 16.604 -3.091 2.857 1.00 25.00 H new ATOM 436 N GLU A 31 13.466 3.140 0.205 1.00 25.00 N ATOM 437 CA GLU A 31 12.188 3.009 0.923 1.00 25.00 C ATOM 438 C GLU A 31 11.450 4.309 1.069 1.00 25.00 C ATOM 439 O GLU A 31 11.123 4.749 2.220 1.00 25.00 O ATOM 440 CB GLU A 31 12.475 2.368 2.290 1.00 25.00 C ATOM 441 CG GLU A 31 13.520 3.083 3.289 1.00 25.00 C ATOM 442 CD GLU A 31 13.695 2.351 4.595 1.00 25.00 C ATOM 443 OE1 GLU A 31 14.434 2.886 5.483 1.00 25.00 O ATOM 444 OE2 GLU A 31 13.059 1.260 4.791 1.00 25.00 O1- ATOM 0 H GLU A 31 13.961 4.014 0.380 1.00 25.00 H new ATOM 0 HA GLU A 31 11.524 2.376 0.335 1.00 25.00 H new ATOM 0 HB2 GLU A 31 11.525 2.279 2.817 1.00 25.00 H new ATOM 0 HB3 GLU A 31 12.835 1.355 2.109 1.00 25.00 H new ATOM 0 HG2 GLU A 31 14.488 3.164 2.794 1.00 25.00 H new ATOM 0 HG3 GLU A 31 13.180 4.098 3.493 1.00 25.00 H new ATOM 451 N PRO A 32 11.039 4.944 -0.084 1.00 25.00 N ATOM 452 CA PRO A 32 10.137 6.108 0.092 1.00 25.00 C ATOM 453 C PRO A 32 8.772 5.719 0.636 1.00 25.00 C ATOM 454 O PRO A 32 8.051 6.529 1.260 1.00 25.00 O ATOM 455 CB PRO A 32 10.049 6.732 -1.299 1.00 25.00 C ATOM 456 CG PRO A 32 10.330 5.594 -2.208 1.00 25.00 C ATOM 457 CD PRO A 32 11.246 4.678 -1.533 1.00 25.00 C ATOM 0 HA PRO A 32 10.521 6.807 0.835 1.00 25.00 H new ATOM 0 HB2 PRO A 32 9.064 7.160 -1.485 1.00 25.00 H new ATOM 0 HB3 PRO A 32 10.775 7.535 -1.425 1.00 25.00 H new ATOM 0 HG2 PRO A 32 9.405 5.080 -2.469 1.00 25.00 H new ATOM 0 HG3 PRO A 32 10.770 5.952 -3.139 1.00 25.00 H new ATOM 0 HD2 PRO A 32 11.024 3.640 -1.782 1.00 25.00 H new ATOM 0 HD3 PRO A 32 12.279 4.862 -1.827 1.00 25.00 H new ATOM 465 N GLN A 33 8.430 4.432 0.585 1.00 25.00 N ATOM 466 CA GLN A 33 7.270 3.880 1.239 1.00 25.00 C ATOM 467 C GLN A 33 7.293 3.909 2.777 1.00 25.00 C ATOM 468 O GLN A 33 6.243 3.970 3.437 1.00 25.00 O ATOM 469 CB GLN A 33 7.194 2.369 0.900 1.00 25.00 C ATOM 470 CG GLN A 33 6.993 2.079 -0.604 1.00 25.00 C ATOM 471 CD GLN A 33 8.293 1.972 -1.408 1.00 25.00 C ATOM 472 OE1 GLN A 33 9.350 2.255 -0.938 1.00 25.00 O ATOM 473 NE2 GLN A 33 8.170 1.638 -2.659 1.00 25.00 N ATOM 0 H GLN A 33 8.973 3.737 0.072 1.00 25.00 H new ATOM 0 HA GLN A 33 6.442 4.495 0.887 1.00 25.00 H new ATOM 0 HB2 GLN A 33 8.111 1.884 1.235 1.00 25.00 H new ATOM 0 HB3 GLN A 33 6.373 1.921 1.460 1.00 25.00 H new ATOM 0 HG2 GLN A 33 6.437 1.148 -0.711 1.00 25.00 H new ATOM 0 HG3 GLN A 33 6.378 2.869 -1.035 1.00 25.00 H new ATOM 0 HE21 GLN A 33 7.252 1.400 -3.036 1.00 25.00 H new ATOM 0 HE22 GLN A 33 8.991 1.614 -3.264 1.00 25.00 H new ATOM 482 N SER A 34 8.467 4.064 3.330 1.00 25.00 N ATOM 483 CA SER A 34 8.621 4.075 4.764 1.00 25.00 C ATOM 484 C SER A 34 8.211 5.394 5.366 1.00 25.00 C ATOM 485 O SER A 34 8.178 5.563 6.578 1.00 25.00 O ATOM 486 CB SER A 34 10.057 3.672 5.102 1.00 25.00 C ATOM 487 OG SER A 34 10.253 3.535 6.502 1.00 25.00 O ATOM 0 H SER A 34 9.335 4.185 2.808 1.00 25.00 H new ATOM 0 HA SER A 34 7.946 3.347 5.214 1.00 25.00 H new ATOM 0 HB2 SER A 34 10.296 2.730 4.608 1.00 25.00 H new ATOM 0 HB3 SER A 34 10.746 4.421 4.710 1.00 25.00 H new ATOM 0 HG SER A 34 9.650 4.144 6.978 1.00 25.00 H new ATOM 493 N LEU A 35 7.868 6.358 4.543 1.00 25.00 N ATOM 494 CA LEU A 35 7.379 7.678 4.982 1.00 25.00 C ATOM 495 C LEU A 35 5.942 7.625 5.538 1.00 25.00 C ATOM 496 O LEU A 35 4.953 7.545 4.791 1.00 25.00 O ATOM 497 CB LEU A 35 7.573 8.731 3.853 1.00 25.00 C ATOM 498 CG LEU A 35 8.932 9.103 3.229 1.00 25.00 C ATOM 499 CD1 LEU A 35 8.744 9.894 1.926 1.00 50.00 C ATOM 500 CD2 LEU A 35 9.851 9.807 4.117 1.00 50.00 C ATOM 0 H LEU A 35 7.916 6.262 3.529 1.00 25.00 H new ATOM 0 HA LEU A 35 7.986 8.001 5.828 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.940 8.407 3.027 1.00 25.00 H new ATOM 0 HB3 LEU A 35 7.151 9.661 4.232 1.00 25.00 H new ATOM 0 HG LEU A 35 9.407 8.144 3.020 1.00 25.00 H new ATOM 0 HD11 LEU A 35 9.719 10.143 1.508 1.00 50.00 H new ATOM 0 HD12 LEU A 35 8.186 9.290 1.211 1.00 50.00 H new ATOM 0 HD13 LEU A 35 8.193 10.811 2.134 1.00 50.00 H new ATOM 0 HD21 LEU A 35 10.777 10.024 3.585 1.00 50.00 H new ATOM 0 HD22 LEU A 35 9.395 10.741 4.446 1.00 50.00 H new ATOM 0 HD23 LEU A 35 10.068 9.183 4.984 1.00 50.00 H new ATOM 512 N GLU A 36 5.903 7.491 6.872 1.00 25.00 N ATOM 513 CA GLU A 36 4.618 7.298 7.549 1.00 25.00 C ATOM 514 C GLU A 36 4.170 8.314 8.611 1.00 25.00 C ATOM 515 O GLU A 36 4.920 9.147 9.131 1.00 25.00 O ATOM 516 CB GLU A 36 4.655 5.921 8.250 1.00 25.00 C ATOM 517 CG GLU A 36 4.786 4.771 7.299 1.00 25.00 C ATOM 518 CD GLU A 36 4.776 3.400 8.028 1.00 25.00 C ATOM 519 OE1 GLU A 36 5.698 3.218 8.823 1.00 25.00 O ATOM 520 OE2 GLU A 36 3.846 2.595 7.854 1.00 25.00 O1- ATOM 0 H GLU A 36 6.719 7.512 7.484 1.00 25.00 H new ATOM 0 HA GLU A 36 3.896 7.414 6.740 1.00 25.00 H new ATOM 0 HB2 GLU A 36 5.490 5.901 8.950 1.00 25.00 H new ATOM 0 HB3 GLU A 36 3.745 5.796 8.836 1.00 25.00 H new ATOM 0 HG2 GLU A 36 3.969 4.803 6.579 1.00 25.00 H new ATOM 0 HG3 GLU A 36 5.713 4.873 6.734 1.00 25.00 H new ATOM 527 N ALA A 37 2.864 8.276 8.896 1.00 25.00 N ATOM 528 CA ALA A 37 2.137 9.232 9.763 1.00 25.00 C ATOM 529 C ALA A 37 1.228 8.356 10.637 1.00 25.00 C ATOM 530 O ALA A 37 1.222 7.123 10.428 1.00 25.00 O ATOM 531 CB ALA A 37 1.348 10.216 8.902 1.00 25.00 C ATOM 0 H ALA A 37 2.253 7.552 8.518 1.00 25.00 H new ATOM 0 HA ALA A 37 2.796 9.842 10.381 1.00 25.00 H new ATOM 0 HB1 ALA A 37 0.815 10.917 9.545 1.00 25.00 H new ATOM 0 HB2 ALA A 37 2.033 10.765 8.256 1.00 25.00 H new ATOM 0 HB3 ALA A 37 0.631 9.670 8.289 1.00 25.00 H new ATOM 537 N LYS A 38 0.600 8.958 11.635 1.00 25.00 N ATOM 538 CA LYS A 38 -0.455 8.321 12.391 1.00 25.00 C ATOM 539 C LYS A 38 -1.730 9.204 12.306 1.00 25.00 C ATOM 540 O LYS A 38 -1.630 10.475 12.317 1.00 25.00 O ATOM 541 CB LYS A 38 -0.010 8.143 13.831 1.00 25.00 C ATOM 542 CG LYS A 38 -0.784 7.213 14.707 1.00 25.00 C ATOM 543 CD LYS A 38 -0.134 6.997 16.047 1.00 25.00 C ATOM 544 CE LYS A 38 -0.857 5.942 16.929 1.00 25.00 C ATOM 545 NZ LYS A 38 -0.279 5.932 18.301 1.00 25.00 N1+ ATOM 0 H LYS A 38 0.813 9.907 11.941 1.00 25.00 H new ATOM 0 HA LYS A 38 -0.678 7.336 11.981 1.00 25.00 H new ATOM 0 HB2 LYS A 38 1.025 7.802 13.818 1.00 25.00 H new ATOM 0 HB3 LYS A 38 -0.016 9.125 14.303 1.00 25.00 H new ATOM 0 HG2 LYS A 38 -1.788 7.612 14.855 1.00 25.00 H new ATOM 0 HG3 LYS A 38 -0.894 6.253 14.203 1.00 25.00 H new ATOM 0 HD2 LYS A 38 0.899 6.683 15.894 1.00 25.00 H new ATOM 0 HD3 LYS A 38 -0.103 7.946 16.583 1.00 25.00 H new ATOM 0 HE2 LYS A 38 -1.922 6.167 16.978 1.00 25.00 H new ATOM 0 HE3 LYS A 38 -0.760 4.954 16.479 1.00 25.00 H new ATOM 0 HZ1 LYS A 38 -0.772 5.222 18.880 1.00 25.00 H new ATOM 0 HZ2 LYS A 38 0.733 5.696 18.250 1.00 25.00 H new ATOM 0 HZ3 LYS A 38 -0.394 6.871 18.733 1.00 25.00 H new ATOM 559 N LYS A 39 -2.844 8.531 12.198 1.00 25.00 N ATOM 560 CA LYS A 39 -4.135 9.146 12.081 1.00 25.00 C ATOM 561 C LYS A 39 -4.538 9.743 13.449 1.00 25.00 C ATOM 562 O LYS A 39 -4.128 9.304 14.484 1.00 25.00 O ATOM 563 CB LYS A 39 -5.091 8.071 11.571 1.00 25.00 C ATOM 564 CG LYS A 39 -4.838 7.524 10.215 1.00 25.00 C ATOM 565 CD LYS A 39 -5.634 6.340 9.853 1.00 25.00 C ATOM 566 CE LYS A 39 -7.083 6.397 9.644 1.00 25.00 C ATOM 567 NZ LYS A 39 -7.571 4.956 9.758 1.00 25.00 N1+ ATOM 0 H LYS A 39 -2.877 7.512 12.189 1.00 25.00 H new ATOM 0 HA LYS A 39 -4.149 9.978 11.377 1.00 25.00 H new ATOM 0 HB2 LYS A 39 -5.074 7.242 12.278 1.00 25.00 H new ATOM 0 HB3 LYS A 39 -6.100 8.482 11.586 1.00 25.00 H new ATOM 0 HG2 LYS A 39 -5.032 8.308 9.483 1.00 25.00 H new ATOM 0 HG3 LYS A 39 -3.781 7.268 10.136 1.00 25.00 H new ATOM 0 HD2 LYS A 39 -5.202 5.944 8.934 1.00 25.00 H new ATOM 0 HD3 LYS A 39 -5.461 5.598 10.633 1.00 25.00 H new ATOM 0 HE2 LYS A 39 -7.562 7.033 10.389 1.00 25.00 H new ATOM 0 HE3 LYS A 39 -7.322 6.816 8.666 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 -8.085 4.694 8.893 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 -6.756 4.322 9.882 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 -8.206 4.868 10.577 1.00 25.00 H new ATOM 581 N GLY A 40 -5.412 10.722 13.399 1.00 25.00 N ATOM 582 CA GLY A 40 -6.002 11.245 14.620 1.00 25.00 C ATOM 583 C GLY A 40 -6.099 12.731 14.531 1.00 25.00 C ATOM 584 O GLY A 40 -6.049 13.266 13.452 1.00 25.00 O ATOM 0 H GLY A 40 -5.730 11.171 12.540 1.00 25.00 H new ATOM 0 HA2 GLY A 40 -6.992 10.814 14.771 1.00 25.00 H new ATOM 0 HA3 GLY A 40 -5.396 10.961 15.480 1.00 25.00 H new ATOM 588 N PHE A 41 -6.347 13.280 15.694 1.00 25.00 N ATOM 589 CA PHE A 41 -6.460 14.748 15.846 1.00 25.00 C ATOM 590 C PHE A 41 -5.573 15.146 17.083 1.00 25.00 C ATOM 591 O PHE A 41 -5.549 14.355 18.042 1.00 25.00 O ATOM 592 CB PHE A 41 -7.913 15.178 16.057 1.00 25.00 C ATOM 593 CG PHE A 41 -8.793 14.902 14.896 1.00 25.00 C ATOM 594 CD1 PHE A 41 -9.721 13.856 14.934 1.00 25.00 C ATOM 595 CD2 PHE A 41 -8.773 15.763 13.748 1.00 25.00 C ATOM 596 CE1 PHE A 41 -10.562 13.619 13.747 1.00 25.00 C ATOM 597 CE2 PHE A 41 -9.565 15.467 12.592 1.00 25.00 C ATOM 598 CZ PHE A 41 -10.429 14.394 12.603 1.00 25.00 C ATOM 0 H PHE A 41 -6.477 12.754 16.558 1.00 25.00 H new ATOM 0 HA PHE A 41 -6.119 15.252 14.942 1.00 25.00 H new ATOM 0 HB2 PHE A 41 -8.311 14.665 16.933 1.00 25.00 H new ATOM 0 HB3 PHE A 41 -7.938 16.246 16.275 1.00 25.00 H new ATOM 0 HD1 PHE A 41 -9.819 13.236 15.813 1.00 25.00 H new ATOM 0 HD2 PHE A 41 -8.152 16.647 13.756 1.00 25.00 H new ATOM 0 HE1 PHE A 41 -11.296 12.827 13.768 1.00 25.00 H new ATOM 0 HE2 PHE A 41 -9.485 16.086 11.710 1.00 25.00 H new ATOM 0 HZ PHE A 41 -11.004 14.155 11.720 1.00 25.00 H new ATOM 608 N PRO A 42 -4.802 16.257 17.062 1.00 25.00 N ATOM 609 CA PRO A 42 -4.644 17.238 15.977 1.00 25.00 C ATOM 610 C PRO A 42 -3.858 16.736 14.766 1.00 25.00 C ATOM 611 O PRO A 42 -3.091 15.775 14.823 1.00 25.00 O ATOM 612 CB PRO A 42 -3.824 18.410 16.665 1.00 25.00 C ATOM 613 CG PRO A 42 -3.029 17.666 17.673 1.00 25.00 C ATOM 614 CD PRO A 42 -4.004 16.660 18.254 1.00 25.00 C ATOM 0 HA PRO A 42 -5.621 17.510 15.577 1.00 25.00 H new ATOM 0 HB2 PRO A 42 -3.191 18.940 15.953 1.00 25.00 H new ATOM 0 HB3 PRO A 42 -4.477 19.152 17.124 1.00 25.00 H new ATOM 0 HG2 PRO A 42 -2.172 17.171 17.217 1.00 25.00 H new ATOM 0 HG3 PRO A 42 -2.640 18.332 18.443 1.00 25.00 H new ATOM 0 HD2 PRO A 42 -3.490 15.811 18.704 1.00 25.00 H new ATOM 0 HD3 PRO A 42 -4.629 17.102 19.030 1.00 25.00 H new ATOM 622 N HIS A 43 -4.040 17.479 13.673 1.00 25.00 N ATOM 623 CA HIS A 43 -3.575 17.034 12.330 1.00 25.00 C ATOM 624 C HIS A 43 -3.520 18.067 11.241 1.00 25.00 C ATOM 625 O HIS A 43 -3.303 17.684 10.069 1.00 25.00 O ATOM 626 CB HIS A 43 -4.398 15.827 11.905 1.00 25.00 C ATOM 627 CG HIS A 43 -3.601 14.716 11.292 1.00 25.00 C ATOM 628 ND1 HIS A 43 -2.957 14.780 10.043 1.00 25.00 N ATOM 629 CD2 HIS A 43 -3.308 13.461 11.748 1.00 25.00 C ATOM 630 CE1 HIS A 43 -2.271 13.678 9.837 1.00 25.00 C ATOM 631 NE2 HIS A 43 -2.394 12.895 10.868 1.00 25.00 N ATOM 0 H HIS A 43 -4.502 18.388 13.676 1.00 25.00 H new ATOM 0 HA HIS A 43 -2.522 16.785 12.462 1.00 25.00 H new ATOM 0 HB2 HIS A 43 -4.928 15.440 12.775 1.00 25.00 H new ATOM 0 HB3 HIS A 43 -5.154 16.152 11.190 1.00 25.00 H new ATOM 0 HD1 HIS A 43 -3.014 15.565 9.394 1.00 25.00 H new ATOM 0 HD2 HIS A 43 -3.714 12.994 12.633 1.00 25.00 H new ATOM 0 HE1 HIS A 43 -1.695 13.457 8.950 1.00 25.00 H new ATOM 0 HE2 HIS A 43 -1.902 12.013 11.007 1.00 25.00 H new ATOM 639 N SER A 44 -3.925 19.291 11.500 1.00 25.00 N ATOM 640 CA SER A 44 -4.127 20.385 10.525 1.00 25.00 C ATOM 641 C SER A 44 -3.202 20.417 9.281 1.00 25.00 C ATOM 642 O SER A 44 -3.702 20.279 8.158 1.00 25.00 O ATOM 643 CB SER A 44 -4.143 21.746 11.291 1.00 25.00 C ATOM 644 OG SER A 44 -4.964 22.749 10.722 1.00 25.00 O ATOM 0 H SER A 44 -4.141 19.586 12.452 1.00 25.00 H new ATOM 0 HA SER A 44 -5.092 20.181 10.061 1.00 25.00 H new ATOM 0 HB2 SER A 44 -4.474 21.565 12.314 1.00 25.00 H new ATOM 0 HB3 SER A 44 -3.122 22.124 11.349 1.00 25.00 H new ATOM 0 HG SER A 44 -4.913 23.562 11.267 1.00 25.00 H new ATOM 650 N GLY A 45 -1.914 20.634 9.481 1.00 25.00 N ATOM 651 CA GLY A 45 -0.937 20.687 8.412 1.00 25.00 C ATOM 652 C GLY A 45 -0.544 19.332 7.757 1.00 25.00 C ATOM 653 O GLY A 45 -0.999 18.254 8.179 1.00 25.00 O ATOM 0 H GLY A 45 -1.513 20.781 10.407 1.00 25.00 H new ATOM 0 HA2 GLY A 45 -1.322 21.343 7.631 1.00 25.00 H new ATOM 0 HA3 GLY A 45 -0.031 21.152 8.801 1.00 25.00 H new ATOM 657 N PRO A 46 0.302 19.385 6.714 1.00 25.00 N ATOM 658 CA PRO A 46 0.596 18.146 5.969 1.00 25.00 C ATOM 659 C PRO A 46 1.521 17.179 6.745 1.00 25.00 C ATOM 660 O PRO A 46 1.525 15.948 6.423 1.00 25.00 O ATOM 661 CB PRO A 46 1.211 18.658 4.666 1.00 25.00 C ATOM 662 CG PRO A 46 1.955 19.940 5.110 1.00 25.00 C ATOM 663 CD PRO A 46 1.020 20.515 6.106 1.00 25.00 C ATOM 0 HA PRO A 46 -0.292 17.537 5.798 1.00 25.00 H new ATOM 0 HB2 PRO A 46 1.892 17.928 4.227 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.448 18.873 3.917 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.928 19.715 5.547 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.129 20.619 4.276 1.00 25.00 H new ATOM 0 HD2 PRO A 46 1.562 21.082 6.863 1.00 25.00 H new ATOM 0 HD3 PRO A 46 0.323 21.205 5.630 1.00 25.00 H new ATOM 671 N ALA A 47 2.361 17.688 7.615 1.00 25.00 N ATOM 672 CA ALA A 47 3.372 16.901 8.377 1.00 25.00 C ATOM 673 C ALA A 47 2.793 16.337 9.616 1.00 25.00 C ATOM 674 O ALA A 47 1.848 16.861 10.168 1.00 25.00 O ATOM 675 CB ALA A 47 4.628 17.728 8.522 1.00 25.00 C ATOM 0 H ALA A 47 2.382 18.683 7.837 1.00 25.00 H new ATOM 0 HA ALA A 47 3.679 16.007 7.833 1.00 25.00 H new ATOM 0 HB1 ALA A 47 5.375 17.161 9.078 1.00 25.00 H new ATOM 0 HB2 ALA A 47 5.019 17.972 7.534 1.00 25.00 H new ATOM 0 HB3 ALA A 47 4.398 18.649 9.058 1.00 25.00 H new ATOM 681 N ASP A 48 3.414 15.263 10.099 1.00 25.00 N ATOM 682 CA ASP A 48 3.051 14.601 11.344 1.00 25.00 C ATOM 683 C ASP A 48 4.339 14.005 11.934 1.00 25.00 C ATOM 684 O ASP A 48 5.306 13.754 11.167 1.00 25.00 O ATOM 685 CB ASP A 48 2.074 13.485 11.067 1.00 25.00 C ATOM 686 CG ASP A 48 1.643 12.699 12.301 1.00 25.00 C ATOM 687 OD1 ASP A 48 1.522 11.459 12.242 1.00 25.00 O ATOM 688 OD2 ASP A 48 1.459 13.345 13.387 1.00 25.00 O1- ATOM 0 H ASP A 48 4.201 14.821 9.623 1.00 25.00 H new ATOM 0 HA ASP A 48 2.589 15.308 12.032 1.00 25.00 H new ATOM 0 HB2 ASP A 48 1.188 13.905 10.592 1.00 25.00 H new ATOM 0 HB3 ASP A 48 2.523 12.796 10.352 1.00 25.00 H new ATOM 693 N GLY A 49 4.416 13.849 13.260 1.00 25.00 N ATOM 694 CA GLY A 49 5.514 13.230 13.978 1.00 25.00 C ATOM 695 C GLY A 49 6.607 14.168 14.418 1.00 25.00 C ATOM 696 O GLY A 49 7.318 13.800 15.332 1.00 25.00 O ATOM 0 H GLY A 49 3.675 14.169 13.883 1.00 25.00 H new ATOM 0 HA2 GLY A 49 5.113 12.728 14.858 1.00 25.00 H new ATOM 0 HA3 GLY A 49 5.953 12.460 13.344 1.00 25.00 H new ATOM 700 N GLN A 50 6.744 15.346 13.794 1.00 25.00 N ATOM 701 CA GLN A 50 7.798 16.414 14.061 1.00 25.00 C ATOM 702 C GLN A 50 7.159 17.787 14.097 1.00 25.00 C ATOM 703 O GLN A 50 7.601 18.773 13.438 1.00 25.00 O ATOM 704 CB GLN A 50 8.873 16.415 12.978 1.00 25.00 C ATOM 705 CG GLN A 50 9.696 15.199 12.873 1.00 25.00 C ATOM 706 CD GLN A 50 10.492 15.190 11.570 1.00 25.00 C ATOM 707 OE1 GLN A 50 11.341 16.108 11.418 1.00 25.00 O ATOM 708 NE2 GLN A 50 10.329 14.212 10.718 1.00 25.00 N ATOM 0 H GLN A 50 6.107 15.623 13.047 1.00 25.00 H new ATOM 0 HA GLN A 50 8.255 16.183 15.023 1.00 25.00 H new ATOM 0 HB2 GLN A 50 8.389 16.584 12.016 1.00 25.00 H new ATOM 0 HB3 GLN A 50 9.536 17.262 13.155 1.00 25.00 H new ATOM 0 HG2 GLN A 50 10.378 15.143 13.721 1.00 25.00 H new ATOM 0 HG3 GLN A 50 9.057 14.317 12.919 1.00 25.00 H new ATOM 0 HE21 GLN A 50 9.625 13.495 10.893 1.00 25.00 H new ATOM 0 HE22 GLN A 50 10.906 14.166 9.878 1.00 25.00 H new ATOM 717 N ILE A 51 6.045 17.856 14.848 1.00 25.00 N ATOM 718 CA ILE A 51 5.171 19.003 14.812 1.00 25.00 C ATOM 719 C ILE A 51 5.819 20.199 15.526 1.00 25.00 C ATOM 720 O ILE A 51 5.654 21.398 15.036 1.00 25.00 O ATOM 721 CB ILE A 51 3.885 18.611 15.547 1.00 25.00 C ATOM 722 CG1 ILE A 51 3.099 17.474 14.891 1.00 25.00 C ATOM 723 CG2 ILE A 51 3.014 19.862 15.812 1.00 25.00 C ATOM 724 CD1 ILE A 51 2.295 17.763 13.635 1.00 25.00 C ATOM 0 H ILE A 51 5.743 17.118 15.484 1.00 25.00 H new ATOM 0 HA ILE A 51 4.971 19.293 13.781 1.00 25.00 H new ATOM 0 HB ILE A 51 4.194 18.193 16.505 1.00 25.00 H new ATOM 0 HG12 ILE A 51 3.806 16.680 14.653 1.00 25.00 H new ATOM 0 HG13 ILE A 51 2.412 17.076 15.637 1.00 25.00 H new ATOM 0 HG21 ILE A 51 2.104 19.568 16.335 1.00 25.00 H new ATOM 0 HG22 ILE A 51 3.572 20.570 16.425 1.00 25.00 H new ATOM 0 HG23 ILE A 51 2.752 20.331 14.863 1.00 25.00 H new ATOM 0 HD11 ILE A 51 1.800 16.851 13.302 1.00 25.00 H new ATOM 0 HD12 ILE A 51 1.545 18.524 13.850 1.00 25.00 H new ATOM 0 HD13 ILE A 51 2.962 18.122 12.851 1.00 25.00 H new ATOM 736 N ALA A 52 6.489 19.988 16.577 1.00 25.00 N ATOM 737 CA ALA A 52 7.110 21.120 17.280 1.00 25.00 C ATOM 738 C ALA A 52 8.278 21.735 16.623 1.00 25.00 C ATOM 739 O ALA A 52 8.540 22.868 16.722 1.00 25.00 O ATOM 740 CB ALA A 52 7.465 20.743 18.741 1.00 25.00 C ATOM 0 H ALA A 52 6.645 19.072 16.998 1.00 25.00 H new ATOM 0 HA ALA A 52 6.338 21.889 17.256 1.00 25.00 H new ATOM 0 HB1 ALA A 52 7.923 21.599 19.237 1.00 25.00 H new ATOM 0 HB2 ALA A 52 6.558 20.457 19.274 1.00 25.00 H new ATOM 0 HB3 ALA A 52 8.164 19.907 18.741 1.00 25.00 H new ATOM 746 N SER A 53 9.129 20.911 15.989 1.00 25.00 N ATOM 747 CA SER A 53 10.311 21.448 15.371 1.00 25.00 C ATOM 748 C SER A 53 10.065 21.919 13.899 1.00 25.00 C ATOM 749 O SER A 53 10.998 22.525 13.335 1.00 25.00 O ATOM 750 CB SER A 53 11.283 20.255 15.313 1.00 25.00 C ATOM 751 OG SER A 53 10.877 19.187 14.435 1.00 25.00 O ATOM 0 H SER A 53 9.010 19.902 15.902 1.00 25.00 H new ATOM 0 HA SER A 53 10.666 22.313 15.931 1.00 25.00 H new ATOM 0 HB2 SER A 53 12.261 20.616 14.995 1.00 25.00 H new ATOM 0 HB3 SER A 53 11.404 19.853 16.319 1.00 25.00 H new ATOM 0 HG SER A 53 11.548 18.473 14.456 1.00 25.00 H new ATOM 757 N ALA A 54 8.869 21.712 13.321 1.00 25.00 N ATOM 758 CA ALA A 54 8.586 21.898 11.878 1.00 25.00 C ATOM 759 C ALA A 54 9.655 21.171 11.009 1.00 25.00 C ATOM 760 O ALA A 54 10.086 21.659 9.971 1.00 25.00 O ATOM 761 CB ALA A 54 8.412 23.403 11.483 1.00 25.00 C ATOM 0 H ALA A 54 8.053 21.405 13.850 1.00 25.00 H new ATOM 0 HA ALA A 54 7.622 21.433 11.672 1.00 25.00 H new ATOM 0 HB1 ALA A 54 8.207 23.478 10.415 1.00 25.00 H new ATOM 0 HB2 ALA A 54 7.581 23.832 12.043 1.00 25.00 H new ATOM 0 HB3 ALA A 54 9.327 23.948 11.716 1.00 25.00 H new ATOM 767 N GLY A 55 10.121 20.013 11.432 1.00 25.00 N ATOM 768 CA GLY A 55 11.108 19.336 10.683 1.00 25.00 C ATOM 769 C GLY A 55 10.593 18.648 9.466 1.00 25.00 C ATOM 770 O GLY A 55 11.368 18.487 8.531 1.00 25.00 O ATOM 0 H GLY A 55 9.822 19.541 12.286 1.00 25.00 H new ATOM 0 HA2 GLY A 55 11.874 20.051 10.384 1.00 25.00 H new ATOM 0 HA3 GLY A 55 11.592 18.600 11.324 1.00 25.00 H new ATOM 774 N GLY A 56 9.286 18.387 9.364 1.00 25.00 N ATOM 775 CA GLY A 56 8.681 17.997 8.102 1.00 25.00 C ATOM 776 C GLY A 56 8.331 19.190 7.259 1.00 25.00 C ATOM 777 O GLY A 56 7.771 18.964 6.153 1.00 25.00 O ATOM 0 H GLY A 56 8.632 18.441 10.145 1.00 25.00 H new ATOM 0 HA2 GLY A 56 9.368 17.353 7.553 1.00 25.00 H new ATOM 0 HA3 GLY A 56 7.782 17.412 8.295 1.00 25.00 H new ATOM 781 N LEU A 57 8.544 20.431 7.721 1.00 25.00 N ATOM 782 CA LEU A 57 8.181 21.621 6.941 1.00 25.00 C ATOM 783 C LEU A 57 9.309 22.461 6.414 1.00 25.00 C ATOM 784 O LEU A 57 9.538 22.598 5.216 1.00 25.00 O ATOM 785 CB LEU A 57 7.231 22.563 7.766 1.00 25.00 C ATOM 786 CG LEU A 57 5.952 21.918 8.401 1.00 25.00 C ATOM 787 CD1 LEU A 57 5.260 22.901 9.422 1.00 50.00 C ATOM 788 CD2 LEU A 57 4.941 21.494 7.364 1.00 50.00 C ATOM 0 H LEU A 57 8.964 20.635 8.628 1.00 25.00 H new ATOM 0 HA LEU A 57 7.693 21.189 6.067 1.00 25.00 H new ATOM 0 HB2 LEU A 57 7.816 23.012 8.569 1.00 25.00 H new ATOM 0 HB3 LEU A 57 6.910 23.374 7.113 1.00 25.00 H new ATOM 0 HG LEU A 57 6.297 21.028 8.927 1.00 25.00 H new ATOM 0 HD11 LEU A 57 4.376 22.423 9.845 1.00 50.00 H new ATOM 0 HD12 LEU A 57 5.958 23.145 10.222 1.00 50.00 H new ATOM 0 HD13 LEU A 57 4.967 23.815 8.905 1.00 50.00 H new ATOM 0 HD21 LEU A 57 4.075 21.054 7.859 1.00 50.00 H new ATOM 0 HD22 LEU A 57 4.626 22.363 6.786 1.00 50.00 H new ATOM 0 HD23 LEU A 57 5.391 20.759 6.697 1.00 50.00 H new ATOM 800 N PHE A 58 10.130 22.848 7.353 1.00 25.00 N ATOM 801 CA PHE A 58 11.425 23.524 7.018 1.00 25.00 C ATOM 802 C PHE A 58 12.434 22.523 6.497 1.00 25.00 C ATOM 803 O PHE A 58 13.228 22.917 5.650 1.00 25.00 O ATOM 804 CB PHE A 58 11.992 24.250 8.220 1.00 25.00 C ATOM 805 CG PHE A 58 11.060 25.158 8.951 1.00 25.00 C ATOM 806 CD1 PHE A 58 11.120 25.366 10.297 1.00 50.00 C ATOM 807 CD2 PHE A 58 10.157 25.906 8.145 1.00 50.00 C ATOM 808 CE1 PHE A 58 10.329 26.408 10.910 1.00 25.00 C ATOM 809 CE2 PHE A 58 9.315 26.893 8.766 1.00 25.00 C ATOM 810 CZ PHE A 58 9.399 27.111 10.143 1.00 25.00 C ATOM 0 H PHE A 58 9.960 22.725 8.351 1.00 25.00 H new ATOM 0 HA PHE A 58 11.220 24.257 6.238 1.00 25.00 H new ATOM 0 HB2 PHE A 58 12.365 23.506 8.924 1.00 25.00 H new ATOM 0 HB3 PHE A 58 12.851 24.835 7.891 1.00 25.00 H new ATOM 0 HD1 PHE A 58 11.762 24.749 10.908 1.00 50.00 H new ATOM 0 HD2 PHE A 58 10.104 25.735 7.080 1.00 50.00 H new ATOM 0 HE1 PHE A 58 10.457 26.642 11.957 1.00 25.00 H new ATOM 0 HE2 PHE A 58 8.619 27.464 8.169 1.00 25.00 H new ATOM 0 HZ PHE A 58 8.742 27.826 10.616 1.00 25.00 H new ATOM 820 N GLY A 59 12.244 21.305 6.886 1.00 25.00 N ATOM 821 CA GLY A 59 13.036 20.162 6.383 1.00 25.00 C ATOM 822 C GLY A 59 12.906 20.096 4.904 1.00 25.00 C ATOM 823 O GLY A 59 13.764 19.582 4.241 1.00 25.00 O ATOM 0 H GLY A 59 11.533 21.042 7.569 1.00 25.00 H new ATOM 0 HA2 GLY A 59 14.083 20.277 6.664 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.685 19.234 6.833 1.00 25.00 H new ATOM 827 N GLY A 60 11.737 20.597 4.427 1.00 25.00 N ATOM 828 CA GLY A 60 11.477 20.744 2.999 1.00 25.00 C ATOM 829 C GLY A 60 12.332 21.716 2.258 1.00 25.00 C ATOM 830 O GLY A 60 12.640 21.515 1.101 1.00 25.00 O ATOM 0 H GLY A 60 10.968 20.902 5.024 1.00 25.00 H new ATOM 0 HA2 GLY A 60 11.589 19.766 2.531 1.00 25.00 H new ATOM 0 HA3 GLY A 60 10.436 21.041 2.872 1.00 25.00 H new ATOM 834 N ILE A 61 12.790 22.779 2.938 1.00 25.00 N ATOM 835 CA ILE A 61 13.598 23.834 2.355 1.00 25.00 C ATOM 836 C ILE A 61 15.016 23.251 2.326 1.00 25.00 C ATOM 837 O ILE A 61 15.750 23.407 1.353 1.00 25.00 O ATOM 838 CB ILE A 61 13.550 25.185 3.216 1.00 25.00 C ATOM 839 CG1 ILE A 61 12.082 25.569 3.399 1.00 25.00 C ATOM 840 CG2 ILE A 61 14.283 26.225 2.420 1.00 25.00 C ATOM 841 CD1 ILE A 61 11.691 26.775 4.163 1.00 25.00 C ATOM 0 H ILE A 61 12.598 22.922 3.930 1.00 25.00 H new ATOM 0 HA ILE A 61 13.235 24.118 1.367 1.00 25.00 H new ATOM 0 HB ILE A 61 14.009 25.080 4.199 1.00 25.00 H new ATOM 0 HG12 ILE A 61 11.654 25.672 2.402 1.00 25.00 H new ATOM 0 HG13 ILE A 61 11.588 24.720 3.871 1.00 25.00 H new ATOM 0 HG21 ILE A 61 14.280 27.169 2.965 1.00 25.00 H new ATOM 0 HG22 ILE A 61 15.312 25.902 2.260 1.00 25.00 H new ATOM 0 HG23 ILE A 61 13.791 26.360 1.457 1.00 25.00 H new ATOM 0 HD11 ILE A 61 10.605 26.864 4.172 1.00 25.00 H new ATOM 0 HD12 ILE A 61 12.057 26.692 5.186 1.00 25.00 H new ATOM 0 HD13 ILE A 61 12.123 27.659 3.694 1.00 25.00 H new ATOM 853 N LEU A 62 15.384 22.548 3.362 1.00 25.00 N ATOM 854 CA LEU A 62 16.646 21.930 3.561 1.00 25.00 C ATOM 855 C LEU A 62 16.871 20.787 2.583 1.00 25.00 C ATOM 856 O LEU A 62 17.990 20.495 2.240 1.00 25.00 O ATOM 857 CB LEU A 62 16.808 21.356 5.003 1.00 25.00 C ATOM 858 CG LEU A 62 17.394 22.361 6.043 1.00 25.00 C ATOM 859 CD1 LEU A 62 16.565 23.605 6.286 1.00 75.00 C ATOM 860 CD2 LEU A 62 17.518 21.560 7.338 1.00 75.00 C ATOM 0 H LEU A 62 14.751 22.386 4.145 1.00 25.00 H new ATOM 0 HA LEU A 62 17.381 22.718 3.399 1.00 25.00 H new ATOM 0 HB2 LEU A 62 15.834 21.016 5.356 1.00 25.00 H new ATOM 0 HB3 LEU A 62 17.455 20.480 4.960 1.00 25.00 H new ATOM 0 HG LEU A 62 18.338 22.750 5.660 1.00 25.00 H new ATOM 0 HD11 LEU A 62 17.061 24.235 7.024 1.00 75.00 H new ATOM 0 HD12 LEU A 62 16.456 24.157 5.353 1.00 75.00 H new ATOM 0 HD13 LEU A 62 15.580 23.319 6.656 1.00 75.00 H new ATOM 0 HD21 LEU A 62 17.925 22.198 8.123 1.00 75.00 H new ATOM 0 HD22 LEU A 62 16.534 21.198 7.638 1.00 75.00 H new ATOM 0 HD23 LEU A 62 18.184 20.712 7.179 1.00 75.00 H new ATOM 872 N ASP A 63 15.802 20.135 2.096 1.00 25.00 N ATOM 873 CA ASP A 63 15.907 19.033 1.139 1.00 25.00 C ATOM 874 C ASP A 63 16.348 19.596 -0.263 1.00 25.00 C ATOM 875 O ASP A 63 16.776 18.840 -1.065 1.00 25.00 O ATOM 876 CB ASP A 63 14.552 18.292 1.110 1.00 25.00 C ATOM 877 CG ASP A 63 14.528 17.082 0.225 1.00 25.00 C ATOM 878 OD1 ASP A 63 14.115 17.096 -0.932 1.00 50.00 O ATOM 879 OD2 ASP A 63 14.935 16.032 0.767 1.00 50.00 O1- ATOM 0 H ASP A 63 14.843 20.361 2.358 1.00 25.00 H new ATOM 0 HA ASP A 63 16.671 18.312 1.431 1.00 25.00 H new ATOM 0 HB2 ASP A 63 14.295 17.990 2.125 1.00 25.00 H new ATOM 0 HB3 ASP A 63 13.779 18.985 0.778 1.00 25.00 H new ATOM 884 N GLN A 64 16.364 20.892 -0.489 1.00 25.00 N ATOM 885 CA GLN A 64 16.819 21.415 -1.782 1.00 25.00 C ATOM 886 C GLN A 64 18.336 21.326 -1.962 1.00 25.00 C ATOM 887 O GLN A 64 18.980 21.473 -3.018 1.00 25.00 O ATOM 888 CB GLN A 64 16.337 22.832 -1.924 1.00 25.00 C ATOM 889 CG GLN A 64 16.058 23.386 -3.298 1.00 25.00 C ATOM 890 CD GLN A 64 14.741 22.957 -3.964 1.00 25.00 C ATOM 891 OE1 GLN A 64 14.772 22.606 -5.124 1.00 25.00 O ATOM 892 NE2 GLN A 64 13.664 22.900 -3.226 1.00 25.00 N ATOM 0 H GLN A 64 16.075 21.601 0.185 1.00 25.00 H new ATOM 0 HA GLN A 64 16.394 20.793 -2.570 1.00 25.00 H new ATOM 0 HB2 GLN A 64 15.420 22.925 -1.342 1.00 25.00 H new ATOM 0 HB3 GLN A 64 17.079 23.478 -1.456 1.00 25.00 H new ATOM 0 HG2 GLN A 64 16.068 24.474 -3.234 1.00 25.00 H new ATOM 0 HG3 GLN A 64 16.880 23.098 -3.954 1.00 25.00 H new ATOM 0 HE21 GLN A 64 13.695 23.209 -2.254 1.00 25.00 H new ATOM 0 HE22 GLN A 64 12.793 22.547 -3.622 1.00 25.00 H new ATOM 901 N GLN A 65 18.926 21.053 -0.851 1.00 25.00 N ATOM 902 CA GLN A 65 20.396 20.947 -0.673 1.00 25.00 C ATOM 903 C GLN A 65 20.694 19.917 0.420 1.00 25.00 C ATOM 904 O GLN A 65 20.966 20.338 1.594 1.00 25.00 O ATOM 905 CB GLN A 65 20.881 22.336 -0.387 1.00 25.00 C ATOM 906 CG GLN A 65 22.395 22.611 -0.608 1.00 25.00 C ATOM 907 CD GLN A 65 22.656 24.056 -0.341 1.00 25.00 C ATOM 908 OE1 GLN A 65 21.978 25.011 -0.813 1.00 25.00 O ATOM 909 NE2 GLN A 65 23.602 24.287 0.509 1.00 25.00 N ATOM 0 H GLN A 65 18.410 20.885 0.012 1.00 25.00 H new ATOM 0 HA GLN A 65 20.925 20.582 -1.553 1.00 25.00 H new ATOM 0 HB2 GLN A 65 20.316 23.028 -1.011 1.00 25.00 H new ATOM 0 HB3 GLN A 65 20.641 22.573 0.650 1.00 25.00 H new ATOM 0 HG2 GLN A 65 22.994 21.988 0.056 1.00 25.00 H new ATOM 0 HG3 GLN A 65 22.682 22.356 -1.628 1.00 25.00 H new ATOM 0 HE21 GLN A 65 24.147 23.513 0.888 1.00 25.00 H new ATOM 0 HE22 GLN A 65 23.803 25.243 0.801 1.00 25.00 H new ATOM 918 N SER A 66 20.428 18.672 0.116 1.00 25.00 N ATOM 919 CA SER A 66 20.497 17.637 1.196 1.00 25.00 C ATOM 920 C SER A 66 21.039 16.382 0.625 1.00 25.00 C ATOM 921 O SER A 66 20.912 16.222 -0.610 1.00 25.00 O ATOM 922 CB SER A 66 19.089 17.369 1.828 1.00 25.00 C ATOM 923 OG SER A 66 19.084 16.351 2.861 1.00 25.00 O ATOM 0 H SER A 66 20.172 18.331 -0.810 1.00 25.00 H new ATOM 0 HA SER A 66 21.149 18.005 1.988 1.00 25.00 H new ATOM 0 HB2 SER A 66 18.709 18.300 2.249 1.00 25.00 H new ATOM 0 HB3 SER A 66 18.399 17.072 1.038 1.00 25.00 H new ATOM 0 HG SER A 66 18.216 16.352 3.317 1.00 25.00 H new ATOM 929 N GLU A 67 21.657 15.470 1.401 1.00 25.00 N ATOM 930 CA GLU A 67 21.814 14.091 1.071 1.00 25.00 C ATOM 931 C GLU A 67 20.496 13.353 0.744 1.00 25.00 C ATOM 932 O GLU A 67 20.498 12.462 -0.087 1.00 25.00 O ATOM 933 CB GLU A 67 22.509 13.389 2.222 1.00 25.00 C ATOM 934 CG GLU A 67 22.908 11.964 1.943 1.00 25.00 C ATOM 935 CD GLU A 67 23.936 11.763 0.881 1.00 25.00 C ATOM 936 OE1 GLU A 67 23.720 11.020 -0.080 1.00 25.00 O ATOM 937 OE2 GLU A 67 24.969 12.422 0.943 1.00 25.00 O1- ATOM 0 H GLU A 67 22.067 15.711 2.304 1.00 25.00 H new ATOM 0 HA GLU A 67 22.407 14.060 0.157 1.00 25.00 H new ATOM 0 HB2 GLU A 67 23.401 13.956 2.490 1.00 25.00 H new ATOM 0 HB3 GLU A 67 21.850 13.404 3.090 1.00 25.00 H new ATOM 0 HG2 GLU A 67 23.281 11.526 2.868 1.00 25.00 H new ATOM 0 HG3 GLU A 67 22.014 11.406 1.664 1.00 25.00 H new ATOM 944 N ASN A 68 19.425 13.775 1.403 1.00 25.00 N ATOM 945 CA ASN A 68 18.128 13.132 1.157 1.00 25.00 C ATOM 946 C ASN A 68 17.470 13.466 -0.210 1.00 25.00 C ATOM 947 O ASN A 68 17.031 12.544 -0.952 1.00 25.00 O ATOM 948 CB ASN A 68 17.147 13.471 2.305 1.00 25.00 C ATOM 949 CG ASN A 68 16.886 12.333 3.213 1.00 25.00 C ATOM 950 OD1 ASN A 68 16.949 11.144 2.890 1.00 25.00 O ATOM 951 ND2 ASN A 68 16.547 12.635 4.412 1.00 25.00 N ATOM 0 H ASN A 68 19.418 14.530 2.088 1.00 25.00 H new ATOM 0 HA ASN A 68 18.341 12.064 1.121 1.00 25.00 H new ATOM 0 HB2 ASN A 68 17.550 14.302 2.884 1.00 25.00 H new ATOM 0 HB3 ASN A 68 16.203 13.809 1.878 1.00 25.00 H new ATOM 0 HD21 ASN A 68 16.334 11.897 5.083 1.00 25.00 H new ATOM 0 HD22 ASN A 68 16.490 13.613 4.695 1.00 25.00 H new ATOM 958 N ARG A 69 17.672 14.703 -0.656 1.00 25.00 N ATOM 959 CA ARG A 69 17.124 15.343 -1.870 1.00 25.00 C ATOM 960 C ARG A 69 16.206 14.497 -2.721 1.00 25.00 C ATOM 961 O ARG A 69 16.509 14.036 -3.832 1.00 25.00 O ATOM 962 CB ARG A 69 18.183 16.080 -2.568 1.00 25.00 C ATOM 963 CG ARG A 69 17.777 17.036 -3.719 1.00 25.00 C ATOM 964 CD ARG A 69 18.790 18.167 -3.840 1.00 25.00 C ATOM 965 NE ARG A 69 20.096 17.761 -4.403 1.00 25.00 N ATOM 966 CZ ARG A 69 21.108 18.623 -4.765 1.00 25.00 C ATOM 967 NH1 ARG A 69 20.935 19.901 -4.727 1.00 25.00 N1+ ATOM 968 NH2 ARG A 69 22.170 18.226 -5.332 1.00 25.00 N ATOM 0 H ARG A 69 18.273 15.346 -0.140 1.00 25.00 H new ATOM 0 HA ARG A 69 16.393 16.082 -1.542 1.00 25.00 H new ATOM 0 HB2 ARG A 69 18.726 16.665 -1.826 1.00 25.00 H new ATOM 0 HB3 ARG A 69 18.884 15.350 -2.973 1.00 25.00 H new ATOM 0 HG2 ARG A 69 17.721 16.485 -4.658 1.00 25.00 H new ATOM 0 HG3 ARG A 69 16.784 17.445 -3.530 1.00 25.00 H new ATOM 0 HD2 ARG A 69 18.366 18.952 -4.466 1.00 25.00 H new ATOM 0 HD3 ARG A 69 18.953 18.600 -2.853 1.00 25.00 H new ATOM 0 HE ARG A 69 20.261 16.763 -4.534 1.00 25.00 H new ATOM 0 HH11 ARG A 69 20.040 20.286 -4.426 1.00 25.00 H new ATOM 0 HH12 ARG A 69 21.694 20.527 -4.998 1.00 25.00 H new ATOM 0 HH21 ARG A 69 22.299 17.235 -5.536 1.00 25.00 H new ATOM 0 HH22 ARG A 69 22.895 18.897 -5.584 1.00 25.00 H new ATOM 982 N TRP A 70 15.062 14.385 -2.090 1.00 25.00 N ATOM 983 CA TRP A 70 13.892 13.746 -2.708 1.00 25.00 C ATOM 984 C TRP A 70 13.499 14.583 -3.925 1.00 25.00 C ATOM 985 O TRP A 70 13.824 15.743 -4.013 1.00 25.00 O ATOM 986 CB TRP A 70 12.796 13.805 -1.603 1.00 25.00 C ATOM 987 CG TRP A 70 13.189 13.110 -0.380 1.00 25.00 C ATOM 988 CD1 TRP A 70 14.156 12.123 -0.290 1.00 25.00 C ATOM 989 CD2 TRP A 70 12.621 13.232 0.937 1.00 25.00 C ATOM 990 NE1 TRP A 70 14.234 11.643 1.000 1.00 25.00 N ATOM 991 CE2 TRP A 70 13.306 12.285 1.764 1.00 25.00 C ATOM 992 CE3 TRP A 70 11.650 14.082 1.550 1.00 25.00 C ATOM 993 CZ2 TRP A 70 13.079 12.142 3.158 1.00 25.00 C ATOM 994 CZ3 TRP A 70 11.421 13.941 2.929 1.00 25.00 C ATOM 995 CH2 TRP A 70 12.107 12.940 3.709 1.00 25.00 C ATOM 0 H TRP A 70 14.901 14.726 -1.142 1.00 25.00 H new ATOM 0 HA TRP A 70 14.057 12.722 -3.043 1.00 25.00 H new ATOM 0 HB2 TRP A 70 12.577 14.847 -1.369 1.00 25.00 H new ATOM 0 HB3 TRP A 70 11.876 13.364 -1.986 1.00 25.00 H new ATOM 0 HD1 TRP A 70 14.763 11.778 -1.114 1.00 25.00 H new ATOM 0 HE1 TRP A 70 14.880 10.925 1.329 1.00 25.00 H new ATOM 0 HE3 TRP A 70 11.107 14.813 0.969 1.00 25.00 H new ATOM 0 HZ2 TRP A 70 13.643 11.441 3.755 1.00 25.00 H new ATOM 0 HZ3 TRP A 70 10.715 14.597 3.416 1.00 25.00 H new ATOM 0 HH2 TRP A 70 11.850 12.815 4.751 1.00 25.00 H new ATOM 1006 N PHE A 71 12.947 13.921 -4.927 1.00 25.00 N ATOM 1007 CA PHE A 71 13.097 14.220 -6.324 1.00 25.00 C ATOM 1008 C PHE A 71 12.289 15.460 -6.799 1.00 25.00 C ATOM 1009 O PHE A 71 11.202 15.741 -6.282 1.00 25.00 O ATOM 1010 CB PHE A 71 12.793 12.929 -7.100 1.00 25.00 C ATOM 1011 CG PHE A 71 11.330 12.570 -7.188 1.00 25.00 C ATOM 1012 CD1 PHE A 71 10.748 11.736 -6.181 1.00 50.00 C ATOM 1013 CD2 PHE A 71 10.603 12.912 -8.265 1.00 50.00 C ATOM 1014 CE1 PHE A 71 9.375 11.367 -6.235 1.00 25.00 C ATOM 1015 CE2 PHE A 71 9.148 12.578 -8.324 1.00 25.00 C ATOM 1016 CZ PHE A 71 8.590 11.826 -7.298 1.00 25.00 C ATOM 0 H PHE A 71 12.347 13.112 -4.767 1.00 25.00 H new ATOM 0 HA PHE A 71 14.122 14.532 -6.526 1.00 25.00 H new ATOM 0 HB2 PHE A 71 13.189 13.028 -8.111 1.00 25.00 H new ATOM 0 HB3 PHE A 71 13.327 12.104 -6.628 1.00 25.00 H new ATOM 0 HD1 PHE A 71 11.361 11.381 -5.366 1.00 50.00 H new ATOM 0 HD2 PHE A 71 11.071 13.429 -9.089 1.00 50.00 H new ATOM 0 HE1 PHE A 71 8.945 10.742 -5.467 1.00 25.00 H new ATOM 0 HE2 PHE A 71 8.540 12.916 -9.150 1.00 25.00 H new ATOM 0 HZ PHE A 71 7.536 11.593 -7.321 1.00 25.00 H new ATOM 1026 N LYS A 72 12.872 16.200 -7.674 1.00 25.00 N ATOM 1027 CA LYS A 72 12.382 17.500 -8.144 1.00 25.00 C ATOM 1028 C LYS A 72 12.149 17.486 -9.629 1.00 25.00 C ATOM 1029 O LYS A 72 12.693 16.653 -10.303 1.00 25.00 O ATOM 1030 CB LYS A 72 13.318 18.615 -7.769 1.00 25.00 C ATOM 1031 CG LYS A 72 13.375 18.840 -6.307 1.00 25.00 C ATOM 1032 CD LYS A 72 14.745 18.613 -5.744 1.00 25.00 C ATOM 1033 CE LYS A 72 14.745 19.240 -4.310 1.00 25.00 C ATOM 1034 NZ LYS A 72 13.657 18.556 -3.472 1.00 25.00 N1+ ATOM 0 H LYS A 72 13.748 15.925 -8.119 1.00 25.00 H new ATOM 0 HA LYS A 72 11.429 17.683 -7.647 1.00 25.00 H new ATOM 0 HB2 LYS A 72 14.318 18.385 -8.137 1.00 25.00 H new ATOM 0 HB3 LYS A 72 13.000 19.533 -8.263 1.00 25.00 H new ATOM 0 HG2 LYS A 72 13.060 19.860 -6.087 1.00 25.00 H new ATOM 0 HG3 LYS A 72 12.668 18.174 -5.812 1.00 25.00 H new ATOM 0 HD2 LYS A 72 14.976 17.549 -5.702 1.00 25.00 H new ATOM 0 HD3 LYS A 72 15.505 19.079 -6.371 1.00 25.00 H new ATOM 0 HE2 LYS A 72 15.720 19.110 -3.841 1.00 25.00 H new ATOM 0 HE3 LYS A 72 14.559 20.313 -4.367 1.00 25.00 H new ATOM 0 HZ1 LYS A 72 14.009 18.400 -2.506 1.00 25.00 H new ATOM 0 HZ2 LYS A 72 12.812 19.162 -3.439 1.00 25.00 H new ATOM 0 HZ3 LYS A 72 13.411 17.642 -3.902 1.00 25.00 H new ATOM 1048 N HIS A 73 11.243 18.338 -10.102 1.00 25.00 N ATOM 1049 CA HIS A 73 10.895 18.418 -11.522 1.00 25.00 C ATOM 1050 C HIS A 73 10.875 19.956 -11.790 1.00 25.00 C ATOM 1051 O HIS A 73 10.939 20.733 -10.825 1.00 25.00 O ATOM 1052 CB HIS A 73 9.503 17.743 -11.773 1.00 25.00 C ATOM 1053 CG HIS A 73 9.620 16.271 -11.972 1.00 25.00 C ATOM 1054 ND1 HIS A 73 9.713 15.390 -10.900 1.00 25.00 N ATOM 1055 CD2 HIS A 73 9.726 15.513 -13.096 1.00 25.00 C ATOM 1056 CE1 HIS A 73 9.770 14.142 -11.417 1.00 25.00 C ATOM 1057 NE2 HIS A 73 9.818 14.195 -12.735 1.00 25.00 N ATOM 0 H HIS A 73 10.728 18.993 -9.514 1.00 25.00 H new ATOM 0 HA HIS A 73 11.585 17.898 -12.186 1.00 25.00 H new ATOM 0 HB2 HIS A 73 8.846 17.943 -10.926 1.00 25.00 H new ATOM 0 HB3 HIS A 73 9.037 18.191 -12.651 1.00 25.00 H new ATOM 0 HD2 HIS A 73 9.736 15.889 -14.108 1.00 25.00 H new ATOM 0 HE1 HIS A 73 9.775 13.232 -10.835 1.00 25.00 H new ATOM 0 HE2 HIS A 73 9.907 13.400 -13.368 1.00 25.00 H new ATOM 1065 N ILE A 74 10.653 20.374 -13.012 1.00 25.00 N ATOM 1066 CA ILE A 74 10.362 21.781 -13.318 1.00 25.00 C ATOM 1067 C ILE A 74 9.014 21.774 -14.067 1.00 25.00 C ATOM 1068 O ILE A 74 8.819 20.887 -14.933 1.00 25.00 O ATOM 1069 CB ILE A 74 11.436 22.566 -14.191 1.00 25.00 C ATOM 1070 CG1 ILE A 74 12.806 22.177 -13.577 1.00 25.00 C ATOM 1071 CG2 ILE A 74 11.178 24.025 -14.290 1.00 25.00 C ATOM 1072 CD1 ILE A 74 14.042 22.803 -14.113 1.00 25.00 C ATOM 0 H ILE A 74 10.665 19.764 -13.829 1.00 25.00 H new ATOM 0 HA ILE A 74 10.363 22.319 -12.370 1.00 25.00 H new ATOM 0 HB ILE A 74 11.395 22.281 -15.242 1.00 25.00 H new ATOM 0 HG12 ILE A 74 12.762 22.397 -12.510 1.00 25.00 H new ATOM 0 HG13 ILE A 74 12.915 21.097 -13.676 1.00 25.00 H new ATOM 0 HG21 ILE A 74 11.952 24.491 -14.900 1.00 25.00 H new ATOM 0 HG22 ILE A 74 10.204 24.192 -14.750 1.00 25.00 H new ATOM 0 HG23 ILE A 74 11.189 24.465 -13.293 1.00 25.00 H new ATOM 0 HD11 ILE A 74 14.908 22.420 -13.572 1.00 25.00 H new ATOM 0 HD12 ILE A 74 14.141 22.564 -15.172 1.00 25.00 H new ATOM 0 HD13 ILE A 74 13.986 23.884 -13.989 1.00 25.00 H new ATOM 1084 N MET A 75 8.127 22.698 -13.811 1.00 25.00 N ATOM 1085 CA MET A 75 6.854 22.826 -14.556 1.00 25.00 C ATOM 1086 C MET A 75 6.506 24.298 -14.712 1.00 25.00 C ATOM 1087 O MET A 75 7.139 25.148 -14.110 1.00 25.00 O ATOM 1088 CB MET A 75 5.723 22.267 -13.654 1.00 25.00 C ATOM 1089 CG MET A 75 5.546 20.766 -13.781 1.00 25.00 C ATOM 1090 SD MET A 75 4.148 20.278 -12.802 1.00 25.00 S ATOM 1091 CE MET A 75 2.845 20.822 -13.765 1.00 25.00 C ATOM 0 H MET A 75 8.246 23.399 -13.079 1.00 25.00 H new ATOM 0 HA MET A 75 6.950 22.317 -15.515 1.00 25.00 H new ATOM 0 HB2 MET A 75 5.940 22.514 -12.615 1.00 25.00 H new ATOM 0 HB3 MET A 75 4.785 22.760 -13.910 1.00 25.00 H new ATOM 0 HG2 MET A 75 5.393 20.490 -14.824 1.00 25.00 H new ATOM 0 HG3 MET A 75 6.444 20.249 -13.443 1.00 25.00 H new ATOM 0 HE1 MET A 75 2.285 21.584 -13.223 1.00 25.00 H new ATOM 0 HE2 MET A 75 3.230 21.246 -14.693 1.00 25.00 H new ATOM 0 HE3 MET A 75 2.187 19.984 -13.995 1.00 25.00 H new ATOM 1101 N THR A 76 5.509 24.647 -15.489 1.00 25.00 N ATOM 1102 CA THR A 76 5.055 26.037 -15.568 1.00 25.00 C ATOM 1103 C THR A 76 3.761 26.296 -14.784 1.00 25.00 C ATOM 1104 O THR A 76 3.150 25.346 -14.286 1.00 25.00 O ATOM 1105 CB THR A 76 4.831 26.481 -17.099 1.00 25.00 C ATOM 1106 OG1 THR A 76 3.747 25.668 -17.583 1.00 25.00 O ATOM 1107 CG2 THR A 76 6.033 26.036 -18.001 1.00 25.00 C ATOM 0 H THR A 76 4.990 23.997 -16.079 1.00 25.00 H new ATOM 0 HA THR A 76 5.847 26.632 -15.113 1.00 25.00 H new ATOM 0 HB THR A 76 4.684 27.560 -17.137 1.00 25.00 H new ATOM 0 HG1 THR A 76 3.560 25.895 -18.518 1.00 25.00 H new ATOM 0 HG21 THR A 76 5.852 26.350 -19.029 1.00 25.00 H new ATOM 0 HG22 THR A 76 6.951 26.497 -17.637 1.00 25.00 H new ATOM 0 HG23 THR A 76 6.133 24.951 -17.965 1.00 25.00 H new ATOM 1115 N GLY A 77 3.361 27.556 -14.511 1.00 25.00 N ATOM 1116 CA GLY A 77 2.059 27.837 -13.900 1.00 25.00 C ATOM 1117 C GLY A 77 0.880 27.719 -14.864 1.00 25.00 C ATOM 1118 O GLY A 77 1.053 27.348 -16.051 1.00 25.00 O ATOM 0 H GLY A 77 3.922 28.385 -14.705 1.00 25.00 H new ATOM 0 HA2 GLY A 77 1.904 27.150 -13.068 1.00 25.00 H new ATOM 0 HA3 GLY A 77 2.075 28.844 -13.484 1.00 25.00 H new ATOM 1122 N GLY A 78 -0.293 27.950 -14.345 1.00 25.00 N ATOM 1123 CA GLY A 78 -1.511 27.626 -15.100 1.00 25.00 C ATOM 1124 C GLY A 78 -2.155 26.297 -14.656 1.00 25.00 C ATOM 1125 O GLY A 78 -1.606 25.494 -13.895 1.00 25.00 O ATOM 0 H GLY A 78 -0.450 28.353 -13.421 1.00 25.00 H new ATOM 0 HA2 GLY A 78 -2.234 28.433 -14.978 1.00 25.00 H new ATOM 0 HA3 GLY A 78 -1.271 27.571 -16.162 1.00 25.00 H new ATOM 1129 N GLU A 79 -3.401 26.063 -15.125 1.00 25.00 N ATOM 1130 CA GLU A 79 -4.000 24.825 -14.733 1.00 25.00 C ATOM 1131 C GLU A 79 -3.387 23.569 -15.335 1.00 25.00 C ATOM 1132 O GLU A 79 -3.188 23.478 -16.544 1.00 25.00 O ATOM 1133 CB GLU A 79 -5.490 24.833 -15.121 1.00 25.00 C ATOM 1134 CG GLU A 79 -6.335 23.766 -14.366 1.00 25.00 C ATOM 1135 CD GLU A 79 -7.753 23.724 -14.845 1.00 25.00 C ATOM 1136 OE1 GLU A 79 -8.354 24.726 -15.213 1.00 25.00 O ATOM 1137 OE2 GLU A 79 -8.304 22.597 -14.861 1.00 25.00 O1- ATOM 0 H GLU A 79 -3.953 26.676 -15.726 1.00 25.00 H new ATOM 0 HA GLU A 79 -3.830 24.772 -13.658 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -5.904 25.821 -14.920 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -5.579 24.662 -16.194 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -5.880 22.785 -14.498 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -6.320 23.983 -13.298 1.00 25.00 H new ATOM 1144 N HIS A 80 -3.019 22.595 -14.547 1.00 25.00 N ATOM 1145 CA HIS A 80 -2.489 21.298 -15.055 1.00 25.00 C ATOM 1146 C HIS A 80 -3.410 20.244 -14.401 1.00 25.00 C ATOM 1147 O HIS A 80 -4.060 20.483 -13.359 1.00 25.00 O ATOM 1148 CB HIS A 80 -1.074 21.071 -14.600 1.00 25.00 C ATOM 1149 CG HIS A 80 -0.058 21.994 -15.212 1.00 25.00 C ATOM 1150 ND1 HIS A 80 0.500 21.754 -16.470 1.00 25.00 N ATOM 1151 CD2 HIS A 80 0.550 23.084 -14.746 1.00 25.00 C ATOM 1152 CE1 HIS A 80 1.513 22.571 -16.625 1.00 25.00 C ATOM 1153 NE2 HIS A 80 1.543 23.418 -15.637 1.00 25.00 N ATOM 0 H HIS A 80 -3.067 22.650 -13.530 1.00 25.00 H new ATOM 0 HA HIS A 80 -2.478 21.260 -16.144 1.00 25.00 H new ATOM 0 HB2 HIS A 80 -1.035 21.178 -13.516 1.00 25.00 H new ATOM 0 HB3 HIS A 80 -0.794 20.043 -14.829 1.00 25.00 H new ATOM 0 HD2 HIS A 80 0.307 23.610 -13.834 1.00 25.00 H new ATOM 0 HE1 HIS A 80 2.215 22.545 -17.446 1.00 25.00 H new ATOM 0 HE2 HIS A 80 2.193 24.198 -15.540 1.00 25.00 H new ATOM 1161 N THR A 81 -3.432 19.115 -15.071 1.00 25.00 N ATOM 1162 CA THR A 81 -3.996 17.826 -14.553 1.00 25.00 C ATOM 1163 C THR A 81 -2.858 16.920 -14.154 1.00 25.00 C ATOM 1164 O THR A 81 -1.785 17.019 -14.784 1.00 25.00 O ATOM 1165 CB THR A 81 -4.900 17.123 -15.539 1.00 25.00 C ATOM 1166 OG1 THR A 81 -5.803 18.114 -16.009 1.00 25.00 O ATOM 1167 CG2 THR A 81 -5.689 15.923 -14.934 1.00 25.00 C ATOM 0 H THR A 81 -3.057 19.034 -16.016 1.00 25.00 H new ATOM 0 HA THR A 81 -4.620 18.068 -13.693 1.00 25.00 H new ATOM 0 HB THR A 81 -4.293 16.685 -16.331 1.00 25.00 H new ATOM 0 HG1 THR A 81 -6.418 17.714 -16.658 1.00 25.00 H new ATOM 0 HG21 THR A 81 -6.314 15.473 -15.705 1.00 25.00 H new ATOM 0 HG22 THR A 81 -4.987 15.180 -14.556 1.00 25.00 H new ATOM 0 HG23 THR A 81 -6.318 16.276 -14.117 1.00 25.00 H new ATOM 1175 N PHE A 82 -3.035 16.195 -13.046 1.00 25.00 N ATOM 1176 CA PHE A 82 -2.010 15.333 -12.481 1.00 25.00 C ATOM 1177 C PHE A 82 -2.641 13.945 -12.397 1.00 25.00 C ATOM 1178 O PHE A 82 -3.835 13.921 -12.149 1.00 25.00 O ATOM 1179 CB PHE A 82 -1.621 15.839 -11.041 1.00 25.00 C ATOM 1180 CG PHE A 82 -0.874 17.142 -11.021 1.00 25.00 C ATOM 1181 CD1 PHE A 82 0.524 17.153 -10.928 1.00 50.00 C ATOM 1182 CD2 PHE A 82 -1.565 18.354 -11.235 1.00 50.00 C ATOM 1183 CE1 PHE A 82 1.202 18.336 -10.969 1.00 25.00 C ATOM 1184 CE2 PHE A 82 -0.849 19.599 -11.328 1.00 25.00 C ATOM 1185 CZ PHE A 82 0.515 19.591 -11.217 1.00 25.00 C ATOM 0 H PHE A 82 -3.906 16.195 -12.515 1.00 25.00 H new ATOM 0 HA PHE A 82 -1.103 15.327 -13.085 1.00 25.00 H new ATOM 0 HB2 PHE A 82 -2.530 15.946 -10.449 1.00 25.00 H new ATOM 0 HB3 PHE A 82 -1.012 15.078 -10.554 1.00 25.00 H new ATOM 0 HD1 PHE A 82 1.065 16.224 -10.824 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -2.641 18.347 -11.330 1.00 50.00 H new ATOM 0 HE1 PHE A 82 2.271 18.339 -10.814 1.00 25.00 H new ATOM 0 HE2 PHE A 82 -1.381 20.526 -11.483 1.00 25.00 H new ATOM 0 HZ PHE A 82 1.075 20.509 -11.313 1.00 25.00 H new ATOM 1195 N THR A 83 -1.863 12.856 -12.524 1.00 25.00 N ATOM 1196 CA THR A 83 -2.412 11.490 -12.389 1.00 25.00 C ATOM 1197 C THR A 83 -1.485 10.716 -11.451 1.00 25.00 C ATOM 1198 O THR A 83 -0.253 10.817 -11.574 1.00 25.00 O ATOM 1199 CB THR A 83 -2.475 10.866 -13.807 1.00 25.00 C ATOM 1200 OG1 THR A 83 -3.305 11.720 -14.585 1.00 25.00 O ATOM 1201 CG2 THR A 83 -3.134 9.542 -13.840 1.00 25.00 C ATOM 0 H THR A 83 -0.862 12.891 -12.718 1.00 25.00 H new ATOM 0 HA THR A 83 -3.417 11.474 -11.968 1.00 25.00 H new ATOM 0 HB THR A 83 -1.451 10.754 -14.165 1.00 25.00 H new ATOM 0 HG1 THR A 83 -3.375 11.366 -15.496 1.00 25.00 H new ATOM 0 HG21 THR A 83 -3.143 9.165 -14.863 1.00 25.00 H new ATOM 0 HG22 THR A 83 -2.587 8.847 -13.202 1.00 25.00 H new ATOM 0 HG23 THR A 83 -4.158 9.636 -13.479 1.00 25.00 H new ATOM 1209 N TRP A 84 -2.103 9.939 -10.559 1.00 25.00 N ATOM 1210 CA TRP A 84 -1.442 8.990 -9.656 1.00 25.00 C ATOM 1211 C TRP A 84 -2.105 7.687 -9.991 1.00 25.00 C ATOM 1212 O TRP A 84 -3.201 7.735 -10.606 1.00 25.00 O ATOM 1213 CB TRP A 84 -1.641 9.369 -8.196 1.00 25.00 C ATOM 1214 CG TRP A 84 -1.153 10.743 -7.840 1.00 25.00 C ATOM 1215 CD1 TRP A 84 -0.371 11.572 -8.604 1.00 25.00 C ATOM 1216 CD2 TRP A 84 -1.429 11.486 -6.664 1.00 25.00 C ATOM 1217 NE1 TRP A 84 -0.086 12.730 -7.915 1.00 25.00 N ATOM 1218 CE2 TRP A 84 -0.657 12.665 -6.715 1.00 25.00 C ATOM 1219 CE3 TRP A 84 -2.278 11.270 -5.584 1.00 25.00 C ATOM 1220 CZ2 TRP A 84 -0.624 13.590 -5.597 1.00 25.00 C ATOM 1221 CZ3 TRP A 84 -2.288 12.218 -4.495 1.00 25.00 C ATOM 1222 CH2 TRP A 84 -1.401 13.334 -4.523 1.00 25.00 C ATOM 0 H TRP A 84 -3.116 9.953 -10.440 1.00 25.00 H new ATOM 0 HA TRP A 84 -0.360 8.961 -9.784 1.00 25.00 H new ATOM 0 HB2 TRP A 84 -2.702 9.300 -7.957 1.00 25.00 H new ATOM 0 HB3 TRP A 84 -1.125 8.640 -7.571 1.00 25.00 H new ATOM 0 HD1 TRP A 84 -0.028 11.348 -9.603 1.00 25.00 H new ATOM 0 HE1 TRP A 84 0.471 13.509 -8.267 1.00 25.00 H new ATOM 0 HE3 TRP A 84 -2.922 10.403 -5.560 1.00 25.00 H new ATOM 0 HZ2 TRP A 84 0.009 14.465 -5.624 1.00 25.00 H new ATOM 0 HZ3 TRP A 84 -2.964 12.082 -3.664 1.00 25.00 H new ATOM 0 HH2 TRP A 84 -1.350 13.989 -3.666 1.00 25.00 H new ATOM 1233 N THR A 85 -1.481 6.560 -9.633 1.00 25.00 N ATOM 1234 CA THR A 85 -2.233 5.287 -9.535 1.00 25.00 C ATOM 1235 C THR A 85 -1.706 4.557 -8.302 1.00 25.00 C ATOM 1236 O THR A 85 -0.467 4.613 -8.065 1.00 25.00 O ATOM 1237 CB THR A 85 -2.162 4.452 -10.899 1.00 25.00 C ATOM 1238 OG1 THR A 85 -3.065 3.357 -10.873 1.00 25.00 O ATOM 1239 CG2 THR A 85 -0.821 3.872 -11.091 1.00 25.00 C ATOM 0 H THR A 85 -0.488 6.493 -9.411 1.00 25.00 H new ATOM 0 HA THR A 85 -3.302 5.455 -9.403 1.00 25.00 H new ATOM 0 HB THR A 85 -2.410 5.148 -11.700 1.00 25.00 H new ATOM 0 HG1 THR A 85 -3.005 2.863 -11.717 1.00 25.00 H new ATOM 0 HG21 THR A 85 -0.798 3.310 -12.024 1.00 25.00 H new ATOM 0 HG22 THR A 85 -0.081 4.671 -11.131 1.00 25.00 H new ATOM 0 HG23 THR A 85 -0.590 3.205 -10.260 1.00 25.00 H new ATOM 1247 N TYR A 86 -2.579 3.964 -7.484 1.00 25.00 N ATOM 1248 CA TYR A 86 -2.236 3.104 -6.355 1.00 25.00 C ATOM 1249 C TYR A 86 -2.799 1.714 -6.574 1.00 25.00 C ATOM 1250 O TYR A 86 -3.954 1.517 -6.939 1.00 25.00 O ATOM 1251 CB TYR A 86 -2.619 3.726 -5.061 1.00 25.00 C ATOM 1252 CG TYR A 86 -1.720 4.859 -4.593 1.00 25.00 C ATOM 1253 CD1 TYR A 86 -1.428 6.006 -5.337 1.00 50.00 C ATOM 1254 CD2 TYR A 86 -1.208 4.716 -3.294 1.00 50.00 C ATOM 1255 CE1 TYR A 86 -0.486 6.998 -4.824 1.00 25.00 C ATOM 1256 CE2 TYR A 86 -0.325 5.695 -2.725 1.00 25.00 C ATOM 1257 CZ TYR A 86 0.026 6.847 -3.549 1.00 25.00 C ATOM 1258 OH TYR A 86 0.796 7.825 -3.060 1.00 25.00 O ATOM 0 H TYR A 86 -3.586 4.077 -7.598 1.00 25.00 H new ATOM 0 HA TYR A 86 -1.153 2.991 -6.296 1.00 25.00 H new ATOM 0 HB2 TYR A 86 -3.638 4.104 -5.146 1.00 25.00 H new ATOM 0 HB3 TYR A 86 -2.629 2.952 -4.294 1.00 25.00 H new ATOM 0 HD1 TYR A 86 -1.901 6.160 -6.296 1.00 50.00 H new ATOM 0 HD2 TYR A 86 -1.484 3.851 -2.710 1.00 50.00 H new ATOM 0 HE1 TYR A 86 -0.193 7.840 -5.434 1.00 25.00 H new ATOM 0 HE2 TYR A 86 0.065 5.583 -1.724 1.00 25.00 H new ATOM 0 HH TYR A 86 0.253 8.420 -2.502 1.00 25.00 H new ATOM 1268 N THR A 87 -1.880 0.740 -6.484 1.00 25.00 N ATOM 1269 CA THR A 87 -2.111 -0.534 -7.143 1.00 25.00 C ATOM 1270 C THR A 87 -2.032 -1.820 -6.336 1.00 25.00 C ATOM 1271 O THR A 87 -2.281 -2.907 -6.852 1.00 25.00 O ATOM 1272 CB THR A 87 -1.124 -0.632 -8.359 1.00 25.00 C ATOM 1273 OG1 THR A 87 -1.352 -1.799 -9.135 1.00 25.00 O ATOM 1274 CG2 THR A 87 0.349 -0.679 -7.945 1.00 25.00 C ATOM 0 H THR A 87 -0.999 0.814 -5.975 1.00 25.00 H new ATOM 0 HA THR A 87 -3.168 -0.494 -7.407 1.00 25.00 H new ATOM 0 HB THR A 87 -1.322 0.274 -8.931 1.00 25.00 H new ATOM 0 HG1 THR A 87 -1.702 -2.511 -8.560 1.00 25.00 H new ATOM 0 HG21 THR A 87 0.975 -0.746 -8.835 1.00 25.00 H new ATOM 0 HG22 THR A 87 0.601 0.226 -7.392 1.00 25.00 H new ATOM 0 HG23 THR A 87 0.522 -1.550 -7.313 1.00 25.00 H new ATOM 1282 N ALA A 88 -1.889 -1.724 -5.031 1.00 25.00 N ATOM 1283 CA ALA A 88 -1.828 -2.853 -4.079 1.00 25.00 C ATOM 1284 C ALA A 88 -3.025 -3.817 -4.058 1.00 25.00 C ATOM 1285 O ALA A 88 -2.749 -4.982 -4.354 1.00 25.00 O ATOM 1286 CB ALA A 88 -1.333 -2.411 -2.672 1.00 25.00 C ATOM 0 H ALA A 88 -1.807 -0.820 -4.566 1.00 25.00 H new ATOM 0 HA ALA A 88 -1.057 -3.499 -4.500 1.00 25.00 H new ATOM 0 HB1 ALA A 88 -1.305 -3.275 -2.008 1.00 25.00 H new ATOM 0 HB2 ALA A 88 -0.333 -1.985 -2.755 1.00 25.00 H new ATOM 0 HB3 ALA A 88 -2.013 -1.663 -2.265 1.00 25.00 H new ATOM 1292 N PRO A 89 -4.248 -3.395 -3.701 1.00 25.00 N ATOM 1293 CA PRO A 89 -4.832 -2.177 -3.121 1.00 25.00 C ATOM 1294 C PRO A 89 -4.663 -2.138 -1.593 1.00 25.00 C ATOM 1295 O PRO A 89 -4.272 -3.091 -0.949 1.00 25.00 O ATOM 1296 CB PRO A 89 -6.298 -2.345 -3.480 1.00 25.00 C ATOM 1297 CG PRO A 89 -6.545 -3.771 -3.407 1.00 25.00 C ATOM 1298 CD PRO A 89 -5.309 -4.422 -3.918 1.00 25.00 C ATOM 0 HA PRO A 89 -4.372 -1.259 -3.485 1.00 25.00 H new ATOM 0 HB2 PRO A 89 -6.938 -1.798 -2.788 1.00 25.00 H new ATOM 0 HB3 PRO A 89 -6.506 -1.960 -4.478 1.00 25.00 H new ATOM 0 HG2 PRO A 89 -6.755 -4.080 -2.383 1.00 25.00 H new ATOM 0 HG3 PRO A 89 -7.411 -4.049 -4.008 1.00 25.00 H new ATOM 0 HD2 PRO A 89 -5.090 -5.343 -3.378 1.00 25.00 H new ATOM 0 HD3 PRO A 89 -5.402 -4.684 -4.972 1.00 25.00 H new ATOM 1306 N HIS A 90 -5.112 -1.030 -1.012 1.00 25.00 N ATOM 1307 CA HIS A 90 -5.309 -0.981 0.425 1.00 25.00 C ATOM 1308 C HIS A 90 -6.737 -0.394 0.557 1.00 25.00 C ATOM 1309 O HIS A 90 -7.318 0.160 -0.402 1.00 25.00 O ATOM 1310 CB HIS A 90 -4.329 -0.060 1.119 1.00 0.00 C ATOM 1311 CG HIS A 90 -2.905 -0.466 1.019 1.00 0.00 C ATOM 1312 ND1 HIS A 90 -2.276 -1.455 1.730 1.00 0.00 N ATOM 1313 CD2 HIS A 90 -2.051 -0.203 0.031 1.00 0.00 C ATOM 1314 CE1 HIS A 90 -1.112 -1.648 1.181 1.00 0.00 C ATOM 1315 NE2 HIS A 90 -0.847 -0.847 0.193 1.00 0.00 N ATOM 0 H HIS A 90 -5.342 -0.169 -1.508 1.00 25.00 H new ATOM 0 HA HIS A 90 -5.167 -1.960 0.883 1.00 25.00 H new ATOM 0 HB2 HIS A 90 -4.436 0.941 0.700 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -4.599 0.005 2.173 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -2.651 -1.949 2.540 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -2.279 0.444 -0.804 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -0.424 -2.410 1.518 1.00 0.00 H new ATOM 1323 N ASN A 91 -7.302 -0.537 1.747 1.00 25.00 N ATOM 1324 CA ASN A 91 -8.576 0.123 1.960 1.00 25.00 C ATOM 1325 C ASN A 91 -8.221 1.519 2.477 1.00 25.00 C ATOM 1326 O ASN A 91 -7.185 1.716 3.156 1.00 25.00 O ATOM 1327 CB ASN A 91 -9.568 -0.663 2.895 1.00 25.00 C ATOM 1328 CG ASN A 91 -9.978 -1.998 2.293 1.00 25.00 C ATOM 1329 OD1 ASN A 91 -10.009 -2.203 1.091 1.00 25.00 O ATOM 1330 ND2 ASN A 91 -10.440 -2.877 3.177 1.00 25.00 N ATOM 0 H ASN A 91 -6.927 -1.069 2.533 1.00 25.00 H new ATOM 0 HA ASN A 91 -9.144 0.173 1.031 1.00 25.00 H new ATOM 0 HB2 ASN A 91 -9.098 -0.831 3.864 1.00 25.00 H new ATOM 0 HB3 ASN A 91 -10.456 -0.057 3.073 1.00 25.00 H new ATOM 0 HD21 ASN A 91 -10.838 -3.760 2.858 1.00 25.00 H new ATOM 0 HD22 ASN A 91 -10.396 -2.668 4.174 1.00 25.00 H new ATOM 1337 N THR A 92 -9.067 2.514 2.190 1.00 25.00 N ATOM 1338 CA THR A 92 -8.630 3.895 2.241 1.00 25.00 C ATOM 1339 C THR A 92 -9.765 4.729 2.921 1.00 25.00 C ATOM 1340 O THR A 92 -10.937 4.578 2.525 1.00 25.00 O ATOM 1341 CB THR A 92 -8.379 4.430 0.825 1.00 25.00 C ATOM 1342 OG1 THR A 92 -7.402 3.551 0.251 1.00 25.00 O ATOM 1343 CG2 THR A 92 -7.881 5.861 0.789 1.00 25.00 C ATOM 0 H THR A 92 -10.043 2.383 1.925 1.00 25.00 H new ATOM 0 HA THR A 92 -7.700 3.971 2.804 1.00 25.00 H new ATOM 0 HB THR A 92 -9.318 4.449 0.272 1.00 25.00 H new ATOM 0 HG1 THR A 92 -7.198 3.841 -0.663 1.00 25.00 H new ATOM 0 HG21 THR A 92 -7.727 6.167 -0.246 1.00 25.00 H new ATOM 0 HG22 THR A 92 -8.618 6.515 1.255 1.00 25.00 H new ATOM 0 HG23 THR A 92 -6.939 5.932 1.332 1.00 25.00 H new ATOM 1351 N SER A 93 -9.436 5.618 3.857 1.00 25.00 N ATOM 1352 CA SER A 93 -10.514 6.444 4.414 1.00 25.00 C ATOM 1353 C SER A 93 -10.543 7.812 3.760 1.00 25.00 C ATOM 1354 O SER A 93 -11.622 8.419 3.543 1.00 25.00 O ATOM 1355 CB SER A 93 -10.393 6.555 5.929 1.00 25.00 C ATOM 1356 OG SER A 93 -9.116 6.989 6.349 1.00 25.00 O ATOM 0 H SER A 93 -8.500 5.782 4.228 1.00 25.00 H new ATOM 0 HA SER A 93 -11.462 5.952 4.195 1.00 25.00 H new ATOM 0 HB2 SER A 93 -11.147 7.250 6.298 1.00 25.00 H new ATOM 0 HB3 SER A 93 -10.607 5.585 6.377 1.00 25.00 H new ATOM 0 HG SER A 93 -9.095 7.044 7.327 1.00 25.00 H new ATOM 1362 N GLN A 94 -9.371 8.308 3.419 1.00 25.00 N ATOM 1363 CA GLN A 94 -9.069 9.627 2.859 1.00 25.00 C ATOM 1364 C GLN A 94 -7.776 9.616 2.088 1.00 25.00 C ATOM 1365 O GLN A 94 -6.871 8.910 2.417 1.00 25.00 O ATOM 1366 CB GLN A 94 -9.013 10.649 3.987 1.00 25.00 C ATOM 1367 CG GLN A 94 -8.952 12.098 3.570 1.00 25.00 C ATOM 1368 CD GLN A 94 -9.034 13.019 4.701 1.00 25.00 C ATOM 1369 OE1 GLN A 94 -10.111 13.374 5.215 1.00 25.00 O ATOM 1370 NE2 GLN A 94 -7.911 13.386 5.209 1.00 25.00 N ATOM 0 H GLN A 94 -8.522 7.754 3.534 1.00 25.00 H new ATOM 0 HA GLN A 94 -9.859 9.899 2.159 1.00 25.00 H new ATOM 0 HB2 GLN A 94 -9.891 10.511 4.619 1.00 25.00 H new ATOM 0 HB3 GLN A 94 -8.140 10.432 4.603 1.00 25.00 H new ATOM 0 HG2 GLN A 94 -8.023 12.276 3.029 1.00 25.00 H new ATOM 0 HG3 GLN A 94 -9.768 12.306 2.878 1.00 25.00 H new ATOM 0 HE21 GLN A 94 -7.035 13.089 4.779 1.00 25.00 H new ATOM 0 HE22 GLN A 94 -7.896 13.974 6.042 1.00 25.00 H new ATOM 1379 N TRP A 95 -7.609 10.469 1.069 1.00 25.00 N ATOM 1380 CA TRP A 95 -6.325 10.985 0.687 1.00 25.00 C ATOM 1381 C TRP A 95 -6.474 12.463 0.377 1.00 25.00 C ATOM 1382 O TRP A 95 -7.389 12.905 -0.280 1.00 25.00 O ATOM 1383 CB TRP A 95 -5.624 10.119 -0.367 1.00 25.00 C ATOM 1384 CG TRP A 95 -6.401 9.862 -1.603 1.00 25.00 C ATOM 1385 CD1 TRP A 95 -7.267 8.862 -1.825 1.00 25.00 C ATOM 1386 CD2 TRP A 95 -6.317 10.570 -2.904 1.00 25.00 C ATOM 1387 NE1 TRP A 95 -7.766 8.867 -3.082 1.00 25.00 N ATOM 1388 CE2 TRP A 95 -7.234 9.918 -3.767 1.00 25.00 C ATOM 1389 CE3 TRP A 95 -5.495 11.590 -3.380 1.00 25.00 C ATOM 1390 CZ2 TRP A 95 -7.381 10.336 -5.063 1.00 25.00 C ATOM 1391 CZ3 TRP A 95 -5.622 11.981 -4.754 1.00 25.00 C ATOM 1392 CH2 TRP A 95 -6.612 11.348 -5.592 1.00 25.00 C ATOM 0 H TRP A 95 -8.378 10.812 0.494 1.00 25.00 H new ATOM 0 HA TRP A 95 -5.617 10.919 1.513 1.00 25.00 H new ATOM 0 HB2 TRP A 95 -4.686 10.601 -0.642 1.00 25.00 H new ATOM 0 HB3 TRP A 95 -5.369 9.161 0.086 1.00 25.00 H new ATOM 0 HD1 TRP A 95 -7.537 8.130 -1.078 1.00 25.00 H new ATOM 0 HE1 TRP A 95 -8.433 8.193 -3.457 1.00 25.00 H new ATOM 0 HE3 TRP A 95 -4.780 12.074 -2.731 1.00 25.00 H new ATOM 0 HZ2 TRP A 95 -8.121 9.858 -5.688 1.00 25.00 H new ATOM 0 HZ3 TRP A 95 -4.978 12.747 -5.161 1.00 25.00 H new ATOM 0 HH2 TRP A 95 -6.747 11.663 -6.616 1.00 25.00 H new ATOM 1403 N HIS A 96 -5.520 13.262 0.868 1.00 25.00 N ATOM 1404 CA HIS A 96 -5.668 14.731 0.663 1.00 25.00 C ATOM 1405 C HIS A 96 -4.357 15.385 0.402 1.00 25.00 C ATOM 1406 O HIS A 96 -3.340 14.775 0.693 1.00 25.00 O ATOM 1407 CB HIS A 96 -6.401 15.441 1.817 1.00 25.00 C ATOM 1408 CG HIS A 96 -5.652 15.473 3.139 1.00 25.00 C ATOM 1409 ND1 HIS A 96 -6.229 16.007 4.270 1.00 25.00 N ATOM 1410 CD2 HIS A 96 -4.418 15.051 3.574 1.00 25.00 C ATOM 1411 CE1 HIS A 96 -5.436 15.908 5.300 1.00 25.00 C ATOM 1412 NE2 HIS A 96 -4.339 15.313 4.933 1.00 25.00 N ATOM 0 H HIS A 96 -4.689 12.959 1.376 1.00 25.00 H new ATOM 0 HA HIS A 96 -6.296 14.837 -0.222 1.00 25.00 H new ATOM 0 HB2 HIS A 96 -6.614 16.466 1.514 1.00 25.00 H new ATOM 0 HB3 HIS A 96 -7.361 14.949 1.974 1.00 25.00 H new ATOM 0 HD2 HIS A 96 -3.649 14.597 2.967 1.00 25.00 H new ATOM 0 HE1 HIS A 96 -5.654 16.263 6.296 1.00 25.00 H new ATOM 0 HE2 HIS A 96 -3.554 15.079 5.541 1.00 25.00 H new ATOM 1420 N TYR A 97 -4.396 16.593 -0.119 1.00 25.00 N ATOM 1421 CA TYR A 97 -3.190 17.168 -0.713 1.00 25.00 C ATOM 1422 C TYR A 97 -3.101 18.723 -0.606 1.00 25.00 C ATOM 1423 O TYR A 97 -4.118 19.469 -0.600 1.00 25.00 O ATOM 1424 CB TYR A 97 -3.032 16.716 -2.169 1.00 25.00 C ATOM 1425 CG TYR A 97 -4.371 16.618 -2.821 1.00 25.00 C ATOM 1426 CD1 TYR A 97 -5.023 15.387 -2.976 1.00 50.00 C ATOM 1427 CD2 TYR A 97 -4.855 17.726 -3.510 1.00 50.00 C ATOM 1428 CE1 TYR A 97 -6.225 15.275 -3.660 1.00 25.00 C ATOM 1429 CE2 TYR A 97 -6.178 17.632 -4.042 1.00 25.00 C ATOM 1430 CZ TYR A 97 -6.848 16.418 -4.169 1.00 25.00 C ATOM 1431 OH TYR A 97 -8.092 16.291 -4.758 1.00 25.00 O ATOM 0 H TYR A 97 -5.223 17.190 -0.148 1.00 25.00 H new ATOM 0 HA TYR A 97 -2.360 16.784 -0.120 1.00 25.00 H new ATOM 0 HB2 TYR A 97 -2.405 17.423 -2.712 1.00 25.00 H new ATOM 0 HB3 TYR A 97 -2.529 15.750 -2.206 1.00 25.00 H new ATOM 0 HD1 TYR A 97 -4.577 14.500 -2.551 1.00 50.00 H new ATOM 0 HD2 TYR A 97 -4.258 18.617 -3.637 1.00 50.00 H new ATOM 0 HE1 TYR A 97 -6.679 14.305 -3.799 1.00 25.00 H new ATOM 0 HE2 TYR A 97 -6.677 18.536 -4.357 1.00 25.00 H new ATOM 0 HH TYR A 97 -8.504 17.176 -4.847 1.00 25.00 H new ATOM 1441 N TYR A 98 -1.875 19.182 -0.354 1.00 25.00 N ATOM 1442 CA TYR A 98 -1.524 20.531 0.068 1.00 25.00 C ATOM 1443 C TYR A 98 -0.553 21.090 -1.000 1.00 25.00 C ATOM 1444 O TYR A 98 0.143 20.378 -1.639 1.00 25.00 O ATOM 1445 CB TYR A 98 -0.860 20.460 1.430 1.00 25.00 C ATOM 1446 CG TYR A 98 -1.663 19.934 2.578 1.00 25.00 C ATOM 1447 CD1 TYR A 98 -1.808 18.583 2.691 1.00 50.00 C ATOM 1448 CD2 TYR A 98 -2.130 20.764 3.665 1.00 50.00 C ATOM 1449 CE1 TYR A 98 -2.366 18.095 3.890 1.00 25.00 C ATOM 1450 CE2 TYR A 98 -2.745 20.216 4.818 1.00 25.00 C ATOM 1451 CZ TYR A 98 -2.860 18.869 4.912 1.00 25.00 C ATOM 1452 OH TYR A 98 -3.191 18.258 6.071 1.00 25.00 O ATOM 0 H TYR A 98 -1.054 18.583 -0.446 1.00 25.00 H new ATOM 0 HA TYR A 98 -2.396 21.179 0.155 1.00 25.00 H new ATOM 0 HB2 TYR A 98 0.031 19.840 1.335 1.00 25.00 H new ATOM 0 HB3 TYR A 98 -0.524 21.464 1.690 1.00 25.00 H new ATOM 0 HD1 TYR A 98 -1.508 17.916 1.896 1.00 50.00 H new ATOM 0 HD2 TYR A 98 -2.006 21.835 3.596 1.00 50.00 H new ATOM 0 HE1 TYR A 98 -2.409 17.023 4.016 1.00 25.00 H new ATOM 0 HE2 TYR A 98 -3.114 20.858 5.604 1.00 25.00 H new ATOM 0 HH TYR A 98 -3.359 18.934 6.761 1.00 25.00 H new ATOM 1462 N ILE A 99 -0.409 22.397 -0.899 1.00 25.00 N ATOM 1463 CA ILE A 99 0.629 23.139 -1.614 1.00 25.00 C ATOM 1464 C ILE A 99 1.370 23.961 -0.586 1.00 25.00 C ATOM 1465 O ILE A 99 0.772 24.222 0.493 1.00 25.00 O ATOM 1466 CB ILE A 99 0.019 24.005 -2.758 1.00 25.00 C ATOM 1467 CG1 ILE A 99 -0.965 25.090 -2.310 1.00 25.00 C ATOM 1468 CG2 ILE A 99 -0.589 23.032 -3.836 1.00 25.00 C ATOM 1469 CD1 ILE A 99 -1.247 26.246 -3.378 1.00 25.00 C ATOM 0 H ILE A 99 -1.008 22.983 -0.318 1.00 25.00 H new ATOM 0 HA ILE A 99 1.325 22.463 -2.111 1.00 25.00 H new ATOM 0 HB ILE A 99 0.827 24.595 -3.191 1.00 25.00 H new ATOM 0 HG12 ILE A 99 -1.912 24.615 -2.056 1.00 25.00 H new ATOM 0 HG13 ILE A 99 -0.584 25.548 -1.397 1.00 25.00 H new ATOM 0 HG21 ILE A 99 -1.023 23.615 -4.649 1.00 25.00 H new ATOM 0 HG22 ILE A 99 0.198 22.389 -4.231 1.00 25.00 H new ATOM 0 HG23 ILE A 99 -1.363 22.418 -3.376 1.00 25.00 H new ATOM 0 HD11 ILE A 99 -1.956 26.961 -2.961 1.00 25.00 H new ATOM 0 HD12 ILE A 99 -0.314 26.757 -3.616 1.00 25.00 H new ATOM 0 HD13 ILE A 99 -1.664 25.809 -4.286 1.00 25.00 H new ATOM 1481 N THR A 100 2.548 24.383 -0.876 1.00 25.00 N ATOM 1482 CA THR A 100 3.174 25.547 -0.238 1.00 25.00 C ATOM 1483 C THR A 100 3.064 26.664 -1.234 1.00 25.00 C ATOM 1484 O THR A 100 2.871 26.508 -2.418 1.00 25.00 O ATOM 1485 CB THR A 100 4.664 25.279 -0.034 1.00 25.00 C ATOM 1486 OG1 THR A 100 5.301 25.137 -1.286 1.00 25.00 O ATOM 1487 CG2 THR A 100 4.808 23.950 0.787 1.00 25.00 C ATOM 0 H THR A 100 3.140 23.937 -1.577 1.00 25.00 H new ATOM 0 HA THR A 100 2.702 25.769 0.719 1.00 25.00 H new ATOM 0 HB THR A 100 5.128 26.108 0.500 1.00 25.00 H new ATOM 0 HG1 THR A 100 6.230 25.440 -1.216 1.00 25.00 H new ATOM 0 HG21 THR A 100 5.864 23.734 0.948 1.00 25.00 H new ATOM 0 HG22 THR A 100 4.310 24.062 1.750 1.00 25.00 H new ATOM 0 HG23 THR A 100 4.350 23.130 0.235 1.00 25.00 H new ATOM 1495 N LYS A 101 3.312 27.836 -0.698 1.00 25.00 N ATOM 1496 CA LYS A 101 3.399 29.127 -1.452 1.00 25.00 C ATOM 1497 C LYS A 101 4.920 29.512 -1.536 1.00 25.00 C ATOM 1498 O LYS A 101 5.746 28.703 -1.074 1.00 25.00 O ATOM 1499 CB LYS A 101 2.510 30.131 -0.652 1.00 25.00 C ATOM 1500 CG LYS A 101 0.954 29.968 -0.759 1.00 25.00 C ATOM 1501 CD LYS A 101 0.397 30.194 -2.198 1.00 25.00 C ATOM 1502 CE LYS A 101 -1.093 30.372 -2.085 1.00 25.00 C ATOM 1503 NZ LYS A 101 -1.323 31.791 -1.541 1.00 25.00 N1+ ATOM 0 H LYS A 101 3.468 27.953 0.303 1.00 25.00 H new ATOM 0 HA LYS A 101 3.035 29.099 -2.479 1.00 25.00 H new ATOM 0 HB2 LYS A 101 2.784 30.057 0.400 1.00 25.00 H new ATOM 0 HB3 LYS A 101 2.765 31.139 -0.978 1.00 25.00 H new ATOM 0 HG2 LYS A 101 0.679 28.967 -0.425 1.00 25.00 H new ATOM 0 HG3 LYS A 101 0.476 30.673 -0.079 1.00 25.00 H new ATOM 0 HD2 LYS A 101 0.854 31.073 -2.652 1.00 25.00 H new ATOM 0 HD3 LYS A 101 0.634 29.344 -2.838 1.00 25.00 H new ATOM 0 HE2 LYS A 101 -1.573 30.246 -3.055 1.00 25.00 H new ATOM 0 HE3 LYS A 101 -1.523 29.626 -1.417 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 -1.936 31.746 -0.702 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 -0.410 32.215 -1.281 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 -1.779 32.373 -2.272 1.00 25.00 H new ATOM 1517 N LYS A 102 5.266 30.674 -2.121 1.00 25.00 N ATOM 1518 CA LYS A 102 6.624 31.178 -2.235 1.00 25.00 C ATOM 1519 C LYS A 102 6.490 32.683 -2.572 1.00 25.00 C ATOM 1520 O LYS A 102 5.403 33.137 -2.868 1.00 25.00 O ATOM 1521 CB LYS A 102 7.347 30.460 -3.411 1.00 25.00 C ATOM 1522 CG LYS A 102 6.664 30.727 -4.778 1.00 25.00 C ATOM 1523 CD LYS A 102 7.394 29.950 -5.895 1.00 25.00 C ATOM 1524 CE LYS A 102 6.625 30.274 -7.132 1.00 25.00 C ATOM 1525 NZ LYS A 102 7.082 29.494 -8.359 1.00 25.00 N1+ ATOM 0 H LYS A 102 4.576 31.299 -2.537 1.00 25.00 H new ATOM 0 HA LYS A 102 7.193 31.011 -1.320 1.00 25.00 H new ATOM 0 HB2 LYS A 102 8.384 30.794 -3.455 1.00 25.00 H new ATOM 0 HB3 LYS A 102 7.366 29.387 -3.221 1.00 25.00 H new ATOM 0 HG2 LYS A 102 5.618 30.423 -4.736 1.00 25.00 H new ATOM 0 HG3 LYS A 102 6.677 31.794 -4.998 1.00 25.00 H new ATOM 0 HD2 LYS A 102 8.435 30.261 -5.981 1.00 25.00 H new ATOM 0 HD3 LYS A 102 7.397 28.878 -5.698 1.00 25.00 H new ATOM 0 HE2 LYS A 102 5.569 30.071 -6.956 1.00 25.00 H new ATOM 0 HE3 LYS A 102 6.715 31.341 -7.336 1.00 25.00 H new ATOM 0 HZ1 LYS A 102 7.464 30.153 -9.067 1.00 25.00 H new ATOM 0 HZ2 LYS A 102 7.820 28.815 -8.084 1.00 25.00 H new ATOM 0 HZ3 LYS A 102 6.274 28.981 -8.765 1.00 25.00 H new ATOM 1539 N GLY A 103 7.545 33.491 -2.490 1.00 25.00 N ATOM 1540 CA GLY A 103 7.397 34.939 -2.723 1.00 25.00 C ATOM 1541 C GLY A 103 6.585 35.643 -1.632 1.00 25.00 C ATOM 1542 O GLY A 103 5.404 36.050 -1.883 1.00 25.00 O ATOM 0 H GLY A 103 8.493 33.185 -2.270 1.00 25.00 H new ATOM 0 HA2 GLY A 103 8.386 35.394 -2.783 1.00 25.00 H new ATOM 0 HA3 GLY A 103 6.914 35.098 -3.687 1.00 25.00 H new ATOM 1546 N TRP A 104 7.139 35.618 -0.463 1.00 25.00 N ATOM 1547 CA TRP A 104 6.448 35.975 0.792 1.00 25.00 C ATOM 1548 C TRP A 104 7.279 36.769 1.835 1.00 25.00 C ATOM 1549 O TRP A 104 8.454 36.949 1.736 1.00 25.00 O ATOM 1550 CB TRP A 104 5.960 34.582 1.330 1.00 25.00 C ATOM 1551 CG TRP A 104 7.099 33.552 1.420 1.00 25.00 C ATOM 1552 CD1 TRP A 104 8.536 33.726 1.614 1.00 25.00 C ATOM 1553 CD2 TRP A 104 6.941 32.121 1.475 1.00 25.00 C ATOM 1554 NE1 TRP A 104 9.159 32.528 1.519 1.00 25.00 N ATOM 1555 CE2 TRP A 104 8.227 31.534 1.591 1.00 25.00 C ATOM 1556 CE3 TRP A 104 5.806 31.271 1.628 1.00 25.00 C ATOM 1557 CZ2 TRP A 104 8.417 30.114 1.692 1.00 25.00 C ATOM 1558 CZ3 TRP A 104 6.027 29.862 1.737 1.00 25.00 C ATOM 1559 CH2 TRP A 104 7.298 29.291 1.818 1.00 25.00 C ATOM 0 H TRP A 104 8.111 35.345 -0.322 1.00 25.00 H new ATOM 0 HA TRP A 104 5.646 36.689 0.602 1.00 25.00 H new ATOM 0 HB2 TRP A 104 5.515 34.713 2.316 1.00 25.00 H new ATOM 0 HB3 TRP A 104 5.178 34.197 0.676 1.00 25.00 H new ATOM 0 HD1 TRP A 104 9.028 34.669 1.805 1.00 25.00 H new ATOM 0 HE1 TRP A 104 10.164 32.390 1.411 1.00 25.00 H new ATOM 0 HE3 TRP A 104 4.807 31.680 1.661 1.00 25.00 H new ATOM 0 HZ2 TRP A 104 9.410 29.690 1.671 1.00 25.00 H new ATOM 0 HZ3 TRP A 104 5.168 29.208 1.758 1.00 25.00 H new ATOM 0 HH2 TRP A 104 7.413 28.229 1.976 1.00 25.00 H new ATOM 1570 N ASP A 105 6.573 37.234 2.873 1.00 25.00 N ATOM 1571 CA ASP A 105 7.164 37.902 4.023 1.00 25.00 C ATOM 1572 C ASP A 105 7.627 36.893 5.059 1.00 25.00 C ATOM 1573 O ASP A 105 6.754 36.299 5.693 1.00 25.00 O ATOM 1574 CB ASP A 105 6.179 38.925 4.600 1.00 25.00 C ATOM 1575 CG ASP A 105 6.745 39.846 5.690 1.00 25.00 C ATOM 1576 OD1 ASP A 105 6.168 40.950 5.913 1.00 25.00 O ATOM 1577 OD2 ASP A 105 7.830 39.563 6.241 1.00 25.00 O1- ATOM 0 H ASP A 105 5.558 37.152 2.931 1.00 25.00 H new ATOM 0 HA ASP A 105 8.052 38.447 3.702 1.00 25.00 H new ATOM 0 HB2 ASP A 105 5.805 39.544 3.784 1.00 25.00 H new ATOM 0 HB3 ASP A 105 5.324 38.388 5.010 1.00 25.00 H new ATOM 1582 N PRO A 106 8.947 36.719 5.279 1.00 25.00 N ATOM 1583 CA PRO A 106 9.238 35.823 6.377 1.00 25.00 C ATOM 1584 C PRO A 106 8.746 36.045 7.802 1.00 25.00 C ATOM 1585 O PRO A 106 8.729 35.126 8.634 1.00 25.00 O ATOM 1586 CB PRO A 106 10.772 35.766 6.434 1.00 25.00 C ATOM 1587 CG PRO A 106 11.222 37.103 5.803 1.00 25.00 C ATOM 1588 CD PRO A 106 10.169 37.314 4.712 1.00 25.00 C ATOM 0 HA PRO A 106 8.660 34.936 6.117 1.00 25.00 H new ATOM 0 HB2 PRO A 106 11.130 35.669 7.459 1.00 25.00 H new ATOM 0 HB3 PRO A 106 11.160 34.912 5.879 1.00 25.00 H new ATOM 0 HG2 PRO A 106 11.225 37.916 6.529 1.00 25.00 H new ATOM 0 HG3 PRO A 106 12.229 37.040 5.391 1.00 25.00 H new ATOM 0 HD2 PRO A 106 10.032 38.372 4.489 1.00 25.00 H new ATOM 0 HD3 PRO A 106 10.456 36.826 3.780 1.00 25.00 H new ATOM 1596 N ASP A 107 8.417 37.301 8.102 1.00 25.00 N ATOM 1597 CA ASP A 107 7.914 37.528 9.448 1.00 25.00 C ATOM 1598 C ASP A 107 6.550 36.986 9.684 1.00 25.00 C ATOM 1599 O ASP A 107 6.088 36.766 10.840 1.00 25.00 O ATOM 1600 CB ASP A 107 7.736 39.054 9.593 1.00 25.00 C ATOM 1601 CG ASP A 107 7.211 39.477 10.924 1.00 25.00 C ATOM 1602 OD1 ASP A 107 6.224 40.306 10.985 1.00 75.00 O ATOM 1603 OD2 ASP A 107 7.705 39.058 11.967 1.00 75.00 O1- ATOM 0 H ASP A 107 8.482 38.113 7.488 1.00 25.00 H new ATOM 0 HA ASP A 107 8.614 37.051 10.133 1.00 25.00 H new ATOM 0 HB2 ASP A 107 8.696 39.540 9.421 1.00 25.00 H new ATOM 0 HB3 ASP A 107 7.057 39.406 8.817 1.00 25.00 H new ATOM 1608 N LYS A 108 5.806 36.701 8.557 1.00 25.00 N ATOM 1609 CA LYS A 108 4.461 36.115 8.675 1.00 25.00 C ATOM 1610 C LYS A 108 4.414 34.613 9.124 1.00 25.00 C ATOM 1611 O LYS A 108 5.425 33.873 9.089 1.00 25.00 O ATOM 1612 CB LYS A 108 3.804 36.416 7.325 1.00 25.00 C ATOM 1613 CG LYS A 108 3.434 37.872 7.067 1.00 25.00 C ATOM 1614 CD LYS A 108 2.579 38.044 5.840 1.00 25.00 C ATOM 1615 CE LYS A 108 2.075 39.471 5.808 1.00 25.00 C ATOM 1616 NZ LYS A 108 3.131 40.569 5.971 1.00 25.00 N1+ ATOM 0 H LYS A 108 6.119 36.868 7.601 1.00 25.00 H new ATOM 0 HA LYS A 108 3.905 36.559 9.501 1.00 25.00 H new ATOM 0 HB2 LYS A 108 4.480 36.089 6.535 1.00 25.00 H new ATOM 0 HB3 LYS A 108 2.900 35.813 7.242 1.00 25.00 H new ATOM 0 HG2 LYS A 108 2.903 38.267 7.933 1.00 25.00 H new ATOM 0 HG3 LYS A 108 4.345 38.460 6.956 1.00 25.00 H new ATOM 0 HD2 LYS A 108 3.156 37.825 4.942 1.00 25.00 H new ATOM 0 HD3 LYS A 108 1.742 37.346 5.860 1.00 25.00 H new ATOM 0 HE2 LYS A 108 1.560 39.630 4.861 1.00 25.00 H new ATOM 0 HE3 LYS A 108 1.334 39.590 6.598 1.00 25.00 H new ATOM 0 HZ1 LYS A 108 2.897 41.370 5.351 1.00 25.00 H new ATOM 0 HZ2 LYS A 108 3.148 40.890 6.960 1.00 25.00 H new ATOM 0 HZ3 LYS A 108 4.066 40.193 5.713 1.00 25.00 H new ATOM 1630 N PRO A 109 3.241 34.160 9.617 1.00 25.00 N ATOM 1631 CA PRO A 109 2.756 32.758 9.768 1.00 25.00 C ATOM 1632 C PRO A 109 2.955 31.683 8.751 1.00 25.00 C ATOM 1633 O PRO A 109 2.246 30.722 8.625 1.00 25.00 O ATOM 1634 CB PRO A 109 1.239 32.949 9.803 1.00 25.00 C ATOM 1635 CG PRO A 109 1.044 34.212 10.534 1.00 25.00 C ATOM 1636 CD PRO A 109 2.150 35.097 9.924 1.00 25.00 C ATOM 0 HA PRO A 109 3.343 32.378 10.604 1.00 25.00 H new ATOM 0 HB2 PRO A 109 0.822 33.004 8.797 1.00 25.00 H new ATOM 0 HB3 PRO A 109 0.746 32.118 10.307 1.00 25.00 H new ATOM 0 HG2 PRO A 109 0.050 34.629 10.373 1.00 25.00 H new ATOM 0 HG3 PRO A 109 1.167 34.086 11.610 1.00 25.00 H new ATOM 0 HD2 PRO A 109 1.801 35.608 9.027 1.00 25.00 H new ATOM 0 HD3 PRO A 109 2.473 35.868 10.624 1.00 25.00 H new ATOM 1644 N LEU A 110 3.963 31.804 7.871 1.00 25.00 N ATOM 1645 CA LEU A 110 4.200 30.906 6.702 1.00 25.00 C ATOM 1646 C LEU A 110 4.244 29.354 6.988 1.00 25.00 C ATOM 1647 O LEU A 110 3.754 28.558 6.195 1.00 25.00 O ATOM 1648 CB LEU A 110 5.510 31.279 6.026 1.00 25.00 C ATOM 1649 CG LEU A 110 5.790 32.766 5.564 1.00 25.00 C ATOM 1650 CD1 LEU A 110 7.177 32.689 4.867 1.00 50.00 C ATOM 1651 CD2 LEU A 110 4.816 33.441 4.687 1.00 50.00 C ATOM 0 H LEU A 110 4.660 32.545 7.945 1.00 25.00 H new ATOM 0 HA LEU A 110 3.322 31.070 6.077 1.00 25.00 H new ATOM 0 HB2 LEU A 110 6.313 30.999 6.708 1.00 25.00 H new ATOM 0 HB3 LEU A 110 5.606 30.646 5.144 1.00 25.00 H new ATOM 0 HG LEU A 110 5.725 33.394 6.452 1.00 25.00 H new ATOM 0 HD11 LEU A 110 7.460 33.679 4.510 1.00 50.00 H new ATOM 0 HD12 LEU A 110 7.922 32.333 5.578 1.00 50.00 H new ATOM 0 HD13 LEU A 110 7.123 32.001 4.024 1.00 50.00 H new ATOM 0 HD21 LEU A 110 5.162 34.451 4.468 1.00 50.00 H new ATOM 0 HD22 LEU A 110 4.716 32.882 3.757 1.00 50.00 H new ATOM 0 HD23 LEU A 110 3.849 33.490 5.187 1.00 50.00 H new ATOM 1663 N LYS A 111 4.775 28.957 8.127 1.00 25.00 N ATOM 1664 CA LYS A 111 4.830 27.571 8.499 1.00 25.00 C ATOM 1665 C LYS A 111 3.471 26.924 8.797 1.00 25.00 C ATOM 1666 O LYS A 111 3.346 25.752 9.013 1.00 25.00 O ATOM 1667 CB LYS A 111 5.688 27.292 9.764 1.00 25.00 C ATOM 1668 CG LYS A 111 5.049 27.908 11.108 1.00 25.00 C ATOM 1669 CD LYS A 111 6.047 28.037 12.265 1.00 25.00 C ATOM 1670 CE LYS A 111 6.607 26.728 12.768 1.00 25.00 C ATOM 1671 NZ LYS A 111 7.244 27.297 13.975 1.00 25.00 N1+ ATOM 0 H LYS A 111 5.179 29.592 8.816 1.00 25.00 H new ATOM 0 HA LYS A 111 5.274 27.136 7.604 1.00 25.00 H new ATOM 0 HB2 LYS A 111 5.806 26.215 9.885 1.00 25.00 H new ATOM 0 HB3 LYS A 111 6.685 27.708 9.619 1.00 25.00 H new ATOM 0 HG2 LYS A 111 4.636 28.892 10.885 1.00 25.00 H new ATOM 0 HG3 LYS A 111 4.218 27.278 11.426 1.00 25.00 H new ATOM 0 HD2 LYS A 111 6.874 28.670 11.944 1.00 25.00 H new ATOM 0 HD3 LYS A 111 5.557 28.549 13.093 1.00 25.00 H new ATOM 0 HE2 LYS A 111 5.842 25.984 12.989 1.00 25.00 H new ATOM 0 HE3 LYS A 111 7.314 26.264 12.080 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 7.919 26.610 14.367 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 7.747 28.172 13.723 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 6.514 27.510 14.685 1.00 25.00 H new ATOM 1685 N ARG A 112 2.459 27.741 8.835 1.00 25.00 N ATOM 1686 CA ARG A 112 1.080 27.255 8.954 1.00 25.00 C ATOM 1687 C ARG A 112 0.214 27.862 7.854 1.00 25.00 C ATOM 1688 O ARG A 112 -0.427 27.136 7.093 1.00 25.00 O ATOM 1689 CB ARG A 112 0.497 27.739 10.346 1.00 25.00 C ATOM 1690 CG ARG A 112 1.242 27.363 11.614 1.00 25.00 C ATOM 1691 CD ARG A 112 0.671 27.888 12.881 1.00 25.00 C ATOM 1692 NE ARG A 112 1.407 27.377 14.046 1.00 25.00 N ATOM 1693 CZ ARG A 112 1.254 27.764 15.296 1.00 25.00 C ATOM 1694 NH1 ARG A 112 0.328 28.482 15.785 1.00 25.00 N1+ ATOM 1695 NH2 ARG A 112 2.010 27.256 16.191 1.00 25.00 N ATOM 0 H ARG A 112 2.545 28.756 8.786 1.00 25.00 H new ATOM 0 HA ARG A 112 1.075 26.168 8.874 1.00 25.00 H new ATOM 0 HB2 ARG A 112 0.424 28.826 10.315 1.00 25.00 H new ATOM 0 HB3 ARG A 112 -0.519 27.353 10.432 1.00 25.00 H new ATOM 0 HG2 ARG A 112 1.283 26.276 11.679 1.00 25.00 H new ATOM 0 HG3 ARG A 112 2.270 27.716 11.527 1.00 25.00 H new ATOM 0 HD2 ARG A 112 0.705 28.977 12.875 1.00 25.00 H new ATOM 0 HD3 ARG A 112 -0.378 27.603 12.956 1.00 25.00 H new ATOM 0 HE ARG A 112 2.103 26.653 13.870 1.00 25.00 H new ATOM 0 HH11 ARG A 112 -0.418 28.832 15.183 1.00 25.00 H new ATOM 0 HH12 ARG A 112 0.330 28.709 16.779 1.00 25.00 H new ATOM 0 HH21 ARG A 112 2.715 26.566 15.932 1.00 25.00 H new ATOM 0 HH22 ARG A 112 1.909 27.541 17.165 1.00 25.00 H new ATOM 1709 N ALA A 113 0.113 29.161 7.830 1.00 25.00 N ATOM 1710 CA ALA A 113 -0.881 29.814 6.989 1.00 25.00 C ATOM 1711 C ALA A 113 -0.540 29.718 5.475 1.00 25.00 C ATOM 1712 O ALA A 113 -1.499 29.768 4.688 1.00 25.00 O ATOM 1713 CB ALA A 113 -0.992 31.254 7.441 1.00 25.00 C ATOM 0 H ALA A 113 0.697 29.795 8.375 1.00 25.00 H new ATOM 0 HA ALA A 113 -1.838 29.304 7.102 1.00 25.00 H new ATOM 0 HB1 ALA A 113 -1.731 31.772 6.829 1.00 25.00 H new ATOM 0 HB2 ALA A 113 -1.301 31.285 8.486 1.00 25.00 H new ATOM 0 HB3 ALA A 113 -0.024 31.744 7.334 1.00 25.00 H new ATOM 1719 N ASP A 114 0.763 29.505 5.163 1.00 25.00 N ATOM 1720 CA ASP A 114 1.261 29.360 3.741 1.00 25.00 C ATOM 1721 C ASP A 114 1.589 27.921 3.364 1.00 25.00 C ATOM 1722 O ASP A 114 2.193 27.648 2.369 1.00 25.00 O ATOM 1723 CB ASP A 114 2.394 30.333 3.397 1.00 25.00 C ATOM 1724 CG ASP A 114 1.987 31.803 3.417 1.00 25.00 C ATOM 1725 OD1 ASP A 114 1.652 32.320 4.489 1.00 25.00 O ATOM 1726 OD2 ASP A 114 2.024 32.398 2.314 1.00 25.00 O1- ATOM 0 H ASP A 114 1.499 29.428 5.865 1.00 25.00 H new ATOM 0 HA ASP A 114 0.419 29.648 3.112 1.00 25.00 H new ATOM 0 HB2 ASP A 114 3.211 30.185 4.103 1.00 25.00 H new ATOM 0 HB3 ASP A 114 2.779 30.088 2.407 1.00 25.00 H new ATOM 1731 N PHE A 115 0.996 27.015 4.137 1.00 25.00 N ATOM 1732 CA PHE A 115 0.757 25.618 3.794 1.00 25.00 C ATOM 1733 C PHE A 115 -0.766 25.557 3.628 1.00 25.00 C ATOM 1734 O PHE A 115 -1.476 25.973 4.540 1.00 25.00 O ATOM 1735 CB PHE A 115 1.177 24.699 4.881 1.00 25.00 C ATOM 1736 CG PHE A 115 2.648 24.446 5.024 1.00 25.00 C ATOM 1737 CD1 PHE A 115 3.512 25.253 5.786 1.00 50.00 C ATOM 1738 CD2 PHE A 115 3.253 23.450 4.234 1.00 50.00 C ATOM 1739 CE1 PHE A 115 4.958 25.010 5.765 1.00 25.00 C ATOM 1740 CE2 PHE A 115 4.618 23.222 4.194 1.00 25.00 C ATOM 1741 CZ PHE A 115 5.455 24.017 4.912 1.00 25.00 C ATOM 0 H PHE A 115 0.652 27.249 5.068 1.00 25.00 H new ATOM 0 HA PHE A 115 1.318 25.311 2.911 1.00 25.00 H new ATOM 0 HB2 PHE A 115 0.808 25.099 5.825 1.00 25.00 H new ATOM 0 HB3 PHE A 115 0.681 23.741 4.726 1.00 25.00 H new ATOM 0 HD1 PHE A 115 3.109 26.054 6.388 1.00 50.00 H new ATOM 0 HD2 PHE A 115 2.615 22.828 3.624 1.00 50.00 H new ATOM 0 HE1 PHE A 115 5.624 25.583 6.393 1.00 25.00 H new ATOM 0 HE2 PHE A 115 5.016 22.416 3.595 1.00 25.00 H new ATOM 0 HZ PHE A 115 6.523 23.880 4.823 1.00 25.00 H new ATOM 1751 N GLU A 116 -1.192 25.042 2.514 1.00 25.00 N ATOM 1752 CA GLU A 116 -2.617 25.172 2.225 1.00 25.00 C ATOM 1753 C GLU A 116 -3.179 23.875 1.691 1.00 25.00 C ATOM 1754 O GLU A 116 -2.718 23.360 0.686 1.00 25.00 O ATOM 1755 CB GLU A 116 -2.874 26.237 1.151 1.00 25.00 C ATOM 1756 CG GLU A 116 -2.644 27.704 1.529 1.00 25.00 C ATOM 1757 CD GLU A 116 -2.812 28.691 0.416 1.00 25.00 C ATOM 1758 OE1 GLU A 116 -3.095 28.285 -0.752 1.00 25.00 O ATOM 1759 OE2 GLU A 116 -2.746 29.908 0.692 1.00 25.00 O1- ATOM 0 H GLU A 116 -0.627 24.554 1.819 1.00 25.00 H new ATOM 0 HA GLU A 116 -3.096 25.450 3.164 1.00 25.00 H new ATOM 0 HB2 GLU A 116 -2.240 26.009 0.295 1.00 25.00 H new ATOM 0 HB3 GLU A 116 -3.907 26.135 0.819 1.00 25.00 H new ATOM 0 HG2 GLU A 116 -3.334 27.967 2.331 1.00 25.00 H new ATOM 0 HG3 GLU A 116 -1.635 27.804 1.930 1.00 25.00 H new ATOM 1766 N LEU A 117 -4.208 23.339 2.366 1.00 25.00 N ATOM 1767 CA LEU A 117 -4.945 22.172 1.815 1.00 25.00 C ATOM 1768 C LEU A 117 -5.533 22.736 0.501 1.00 25.00 C ATOM 1769 O LEU A 117 -6.247 23.700 0.534 1.00 25.00 O ATOM 1770 CB LEU A 117 -6.114 21.805 2.771 1.00 25.00 C ATOM 1771 CG LEU A 117 -6.626 20.357 2.570 1.00 25.00 C ATOM 1772 CD1 LEU A 117 -5.649 19.295 2.993 1.00 50.00 C ATOM 1773 CD2 LEU A 117 -7.915 20.164 3.290 1.00 50.00 C ATOM 0 H LEU A 117 -4.547 23.676 3.267 1.00 25.00 H new ATOM 0 HA LEU A 117 -4.327 21.284 1.683 1.00 25.00 H new ATOM 0 HB2 LEU A 117 -5.785 21.929 3.803 1.00 25.00 H new ATOM 0 HB3 LEU A 117 -6.938 22.501 2.613 1.00 25.00 H new ATOM 0 HG LEU A 117 -6.764 20.238 1.495 1.00 25.00 H new ATOM 0 HD11 LEU A 117 -6.084 18.311 2.820 1.00 50.00 H new ATOM 0 HD12 LEU A 117 -4.731 19.393 2.413 1.00 50.00 H new ATOM 0 HD13 LEU A 117 -5.423 19.410 4.053 1.00 50.00 H new ATOM 0 HD21 LEU A 117 -8.265 19.143 3.142 1.00 50.00 H new ATOM 0 HD22 LEU A 117 -7.768 20.346 4.355 1.00 50.00 H new ATOM 0 HD23 LEU A 117 -8.657 20.862 2.902 1.00 50.00 H new ATOM 1785 N ILE A 118 -5.168 22.209 -0.643 1.00 25.00 N ATOM 1786 CA ILE A 118 -5.788 22.586 -1.926 1.00 25.00 C ATOM 1787 C ILE A 118 -6.944 21.675 -2.306 1.00 25.00 C ATOM 1788 O ILE A 118 -7.865 22.032 -3.097 1.00 25.00 O ATOM 1789 CB ILE A 118 -4.708 22.810 -3.051 1.00 25.00 C ATOM 1790 CG1 ILE A 118 -5.257 23.768 -4.162 1.00 25.00 C ATOM 1791 CG2 ILE A 118 -4.206 21.472 -3.683 1.00 25.00 C ATOM 1792 CD1 ILE A 118 -4.151 24.393 -5.089 1.00 25.00 C ATOM 0 H ILE A 118 -4.435 21.505 -0.729 1.00 25.00 H new ATOM 0 HA ILE A 118 -6.260 23.560 -1.798 1.00 25.00 H new ATOM 0 HB ILE A 118 -3.848 23.276 -2.570 1.00 25.00 H new ATOM 0 HG12 ILE A 118 -5.964 23.217 -4.782 1.00 25.00 H new ATOM 0 HG13 ILE A 118 -5.813 24.576 -3.686 1.00 25.00 H new ATOM 0 HG21 ILE A 118 -3.464 21.688 -4.451 1.00 25.00 H new ATOM 0 HG22 ILE A 118 -3.756 20.850 -2.909 1.00 25.00 H new ATOM 0 HG23 ILE A 118 -5.047 20.943 -4.130 1.00 25.00 H new ATOM 0 HD11 ILE A 118 -4.620 25.042 -5.828 1.00 25.00 H new ATOM 0 HD12 ILE A 118 -3.456 24.975 -4.484 1.00 25.00 H new ATOM 0 HD13 ILE A 118 -3.609 23.596 -5.598 1.00 25.00 H new ATOM 1804 N GLY A 119 -7.042 20.553 -1.534 1.00 25.00 N ATOM 1805 CA GLY A 119 -8.162 19.635 -1.672 1.00 25.00 C ATOM 1806 C GLY A 119 -7.981 18.210 -1.145 1.00 25.00 C ATOM 1807 O GLY A 119 -6.861 17.872 -0.793 1.00 25.00 O ATOM 0 H GLY A 119 -6.359 20.284 -0.826 1.00 25.00 H new ATOM 0 HA2 GLY A 119 -9.021 20.074 -1.164 1.00 25.00 H new ATOM 0 HA3 GLY A 119 -8.416 19.572 -2.730 1.00 25.00 H new ATOM 1811 N ALA A 120 -9.086 17.475 -1.213 1.00 25.00 N ATOM 1812 CA ALA A 120 -9.166 16.112 -0.778 1.00 25.00 C ATOM 1813 C ALA A 120 -10.097 15.293 -1.657 1.00 25.00 C ATOM 1814 O ALA A 120 -11.025 15.860 -2.217 1.00 25.00 O ATOM 1815 CB ALA A 120 -9.594 16.049 0.680 1.00 25.00 C ATOM 0 H ALA A 120 -9.966 17.833 -1.584 1.00 25.00 H new ATOM 0 HA ALA A 120 -8.173 15.672 -0.869 1.00 25.00 H new ATOM 0 HB1 ALA A 120 -9.651 15.008 0.998 1.00 25.00 H new ATOM 0 HB2 ALA A 120 -8.866 16.577 1.296 1.00 25.00 H new ATOM 0 HB3 ALA A 120 -10.572 16.517 0.793 1.00 25.00 H new ATOM 1821 N VAL A 121 -9.896 14.008 -1.707 1.00 25.00 N ATOM 1822 CA VAL A 121 -10.761 12.961 -2.284 1.00 25.00 C ATOM 1823 C VAL A 121 -11.036 12.025 -1.125 1.00 25.00 C ATOM 1824 O VAL A 121 -10.214 11.156 -0.714 1.00 25.00 O ATOM 1825 CB VAL A 121 -10.114 12.262 -3.500 1.00 25.00 C ATOM 1826 CG1 VAL A 121 -10.994 11.083 -4.037 1.00 50.00 C ATOM 1827 CG2 VAL A 121 -9.785 13.244 -4.698 1.00 50.00 C ATOM 0 H VAL A 121 -9.046 13.605 -1.313 1.00 25.00 H new ATOM 0 HA VAL A 121 -11.685 13.366 -2.698 1.00 25.00 H new ATOM 0 HB VAL A 121 -9.170 11.872 -3.119 1.00 25.00 H new ATOM 0 HG11 VAL A 121 -10.500 10.621 -4.892 1.00 50.00 H new ATOM 0 HG12 VAL A 121 -11.128 10.341 -3.250 1.00 50.00 H new ATOM 0 HG13 VAL A 121 -11.967 11.466 -4.344 1.00 50.00 H new ATOM 0 HG21 VAL A 121 -9.333 12.682 -5.515 1.00 50.00 H new ATOM 0 HG22 VAL A 121 -10.705 13.714 -5.046 1.00 50.00 H new ATOM 0 HG23 VAL A 121 -9.090 14.012 -4.358 1.00 50.00 H new ATOM 1837 N PRO A 122 -12.118 12.327 -0.398 1.00 25.00 N ATOM 1838 CA PRO A 122 -12.360 11.339 0.660 1.00 25.00 C ATOM 1839 C PRO A 122 -13.000 10.081 0.123 1.00 25.00 C ATOM 1840 O PRO A 122 -13.541 10.127 -0.941 1.00 25.00 O ATOM 1841 CB PRO A 122 -13.326 12.018 1.594 1.00 25.00 C ATOM 1842 CG PRO A 122 -14.099 12.857 0.720 1.00 25.00 C ATOM 1843 CD PRO A 122 -13.179 13.344 -0.403 1.00 25.00 C ATOM 0 HA PRO A 122 -11.426 11.037 1.133 1.00 25.00 H new ATOM 0 HB2 PRO A 122 -13.953 11.297 2.117 1.00 25.00 H new ATOM 0 HB3 PRO A 122 -12.807 12.601 2.355 1.00 25.00 H new ATOM 0 HG2 PRO A 122 -14.943 12.304 0.308 1.00 25.00 H new ATOM 0 HG3 PRO A 122 -14.511 13.703 1.270 1.00 25.00 H new ATOM 0 HD2 PRO A 122 -13.695 13.389 -1.362 1.00 25.00 H new ATOM 0 HD3 PRO A 122 -12.788 14.342 -0.205 1.00 25.00 H new ATOM 1851 N HIS A 123 -12.926 8.982 0.871 1.00 25.00 N ATOM 1852 CA HIS A 123 -13.564 7.750 0.339 1.00 25.00 C ATOM 1853 C HIS A 123 -15.095 7.821 0.597 1.00 25.00 C ATOM 1854 O HIS A 123 -15.503 7.803 1.753 1.00 25.00 O ATOM 1855 CB HIS A 123 -12.973 6.479 0.927 1.00 25.00 C ATOM 1856 CG HIS A 123 -13.041 5.338 -0.048 1.00 25.00 C ATOM 1857 ND1 HIS A 123 -14.175 4.553 -0.171 1.00 25.00 N ATOM 1858 CD2 HIS A 123 -12.127 4.784 -0.875 1.00 25.00 C ATOM 1859 CE1 HIS A 123 -13.936 3.563 -1.028 1.00 25.00 C ATOM 1860 NE2 HIS A 123 -12.699 3.684 -1.439 1.00 25.00 N ATOM 0 H HIS A 123 -12.471 8.902 1.780 1.00 25.00 H new ATOM 0 HA HIS A 123 -13.368 7.705 -0.732 1.00 25.00 H new ATOM 0 HB2 HIS A 123 -11.935 6.656 1.210 1.00 25.00 H new ATOM 0 HB3 HIS A 123 -13.511 6.214 1.837 1.00 25.00 H new ATOM 0 HD2 HIS A 123 -11.126 5.147 -1.056 1.00 25.00 H new ATOM 0 HE1 HIS A 123 -14.636 2.798 -1.330 1.00 25.00 H new ATOM 0 HE2 HIS A 123 -12.232 3.048 -2.086 1.00 25.00 H new ATOM 1868 N ASP A 124 -15.932 7.876 -0.413 1.00 25.00 N ATOM 1869 CA ASP A 124 -17.416 7.898 -0.206 1.00 25.00 C ATOM 1870 C ASP A 124 -18.148 6.864 -1.000 1.00 25.00 C ATOM 1871 O ASP A 124 -19.348 6.668 -0.788 1.00 25.00 O ATOM 1872 CB ASP A 124 -17.958 9.282 -0.620 1.00 25.00 C ATOM 1873 CG ASP A 124 -18.070 9.436 -2.146 1.00 25.00 C ATOM 1874 OD1 ASP A 124 -19.208 9.311 -2.610 1.00 50.00 O ATOM 1875 OD2 ASP A 124 -17.050 9.493 -2.839 1.00 50.00 O1- ATOM 0 H ASP A 124 -15.643 7.907 -1.391 1.00 25.00 H new ATOM 0 HA ASP A 124 -17.584 7.683 0.849 1.00 25.00 H new ATOM 0 HB2 ASP A 124 -18.939 9.435 -0.169 1.00 25.00 H new ATOM 0 HB3 ASP A 124 -17.302 10.058 -0.226 1.00 25.00 H new ATOM 1880 N GLY A 125 -17.482 6.171 -1.894 1.00 25.00 N ATOM 1881 CA GLY A 125 -18.111 5.020 -2.583 1.00 25.00 C ATOM 1882 C GLY A 125 -18.727 5.317 -3.922 1.00 25.00 C ATOM 1883 O GLY A 125 -18.922 4.412 -4.705 1.00 25.00 O ATOM 0 H GLY A 125 -16.520 6.363 -2.172 1.00 25.00 H new ATOM 0 HA2 GLY A 125 -17.358 4.243 -2.715 1.00 25.00 H new ATOM 0 HA3 GLY A 125 -18.883 4.608 -1.932 1.00 25.00 H new ATOM 1887 N SER A 126 -18.950 6.611 -4.237 1.00 25.00 N ATOM 1888 CA SER A 126 -19.210 7.010 -5.651 1.00 25.00 C ATOM 1889 C SER A 126 -17.870 6.708 -6.250 1.00 25.00 C ATOM 1890 O SER A 126 -16.882 6.919 -5.591 1.00 25.00 O ATOM 1891 CB SER A 126 -19.483 8.489 -5.734 1.00 25.00 C ATOM 1892 OG SER A 126 -19.695 8.949 -7.080 1.00 25.00 O ATOM 0 H SER A 126 -18.957 7.378 -3.564 1.00 25.00 H new ATOM 0 HA SER A 126 -20.060 6.518 -6.123 1.00 25.00 H new ATOM 0 HB2 SER A 126 -20.362 8.724 -5.133 1.00 25.00 H new ATOM 0 HB3 SER A 126 -18.644 9.032 -5.299 1.00 25.00 H new ATOM 0 HG SER A 126 -19.869 9.913 -7.073 1.00 25.00 H new ATOM 1898 N PRO A 127 -17.766 6.400 -7.552 1.00 25.00 N ATOM 1899 CA PRO A 127 -16.432 6.392 -8.185 1.00 25.00 C ATOM 1900 C PRO A 127 -15.793 7.740 -8.411 1.00 25.00 C ATOM 1901 O PRO A 127 -14.779 7.843 -9.074 1.00 25.00 O ATOM 1902 CB PRO A 127 -16.706 5.685 -9.538 1.00 25.00 C ATOM 1903 CG PRO A 127 -18.110 6.129 -9.884 1.00 25.00 C ATOM 1904 CD PRO A 127 -18.855 6.117 -8.535 1.00 25.00 C ATOM 0 HA PRO A 127 -15.709 5.904 -7.531 1.00 25.00 H new ATOM 0 HB2 PRO A 127 -15.989 5.986 -10.302 1.00 25.00 H new ATOM 0 HB3 PRO A 127 -16.638 4.601 -9.447 1.00 25.00 H new ATOM 0 HG2 PRO A 127 -18.114 7.123 -10.332 1.00 25.00 H new ATOM 0 HG3 PRO A 127 -18.576 5.454 -10.602 1.00 25.00 H new ATOM 0 HD2 PRO A 127 -19.639 6.874 -8.499 1.00 25.00 H new ATOM 0 HD3 PRO A 127 -19.332 5.155 -8.345 1.00 25.00 H new ATOM 1912 N ALA A 128 -16.289 8.736 -7.703 1.00 25.00 N ATOM 1913 CA ALA A 128 -15.537 9.938 -7.360 1.00 25.00 C ATOM 1914 C ALA A 128 -14.271 9.499 -6.567 1.00 25.00 C ATOM 1915 O ALA A 128 -13.184 10.137 -6.636 1.00 25.00 O ATOM 1916 CB ALA A 128 -16.387 10.879 -6.501 1.00 25.00 C ATOM 0 H ALA A 128 -17.243 8.737 -7.341 1.00 25.00 H new ATOM 0 HA ALA A 128 -15.257 10.472 -8.268 1.00 25.00 H new ATOM 0 HB1 ALA A 128 -15.809 11.770 -6.256 1.00 25.00 H new ATOM 0 HB2 ALA A 128 -17.281 11.168 -7.053 1.00 25.00 H new ATOM 0 HB3 ALA A 128 -16.677 10.370 -5.582 1.00 25.00 H new ATOM 1922 N SER A 129 -14.367 8.408 -5.798 1.00 25.00 N ATOM 1923 CA SER A 129 -13.333 7.952 -4.868 1.00 25.00 C ATOM 1924 C SER A 129 -12.223 7.303 -5.728 1.00 25.00 C ATOM 1925 O SER A 129 -11.099 7.346 -5.282 1.00 25.00 O ATOM 1926 CB SER A 129 -13.874 6.967 -3.841 1.00 25.00 C ATOM 1927 OG SER A 129 -14.952 7.468 -3.059 1.00 25.00 O ATOM 0 H SER A 129 -15.189 7.804 -5.807 1.00 25.00 H new ATOM 0 HA SER A 129 -12.949 8.794 -4.292 1.00 25.00 H new ATOM 0 HB2 SER A 129 -14.204 6.066 -4.358 1.00 25.00 H new ATOM 0 HB3 SER A 129 -13.063 6.673 -3.175 1.00 25.00 H new ATOM 0 HG SER A 129 -15.336 8.255 -3.498 1.00 25.00 H new ATOM 1933 N ARG A 130 -12.492 6.781 -6.948 1.00 25.00 N ATOM 1934 CA ARG A 130 -11.420 6.224 -7.823 1.00 25.00 C ATOM 1935 C ARG A 130 -10.658 7.223 -8.639 1.00 25.00 C ATOM 1936 O ARG A 130 -9.764 6.857 -9.422 1.00 25.00 O ATOM 1937 CB ARG A 130 -12.107 5.252 -8.799 1.00 25.00 C ATOM 1938 CG ARG A 130 -12.952 4.133 -8.137 1.00 25.00 C ATOM 1939 CD ARG A 130 -13.402 3.144 -9.206 1.00 25.00 C ATOM 1940 NE ARG A 130 -14.373 2.179 -8.671 1.00 25.00 N ATOM 1941 CZ ARG A 130 -14.119 1.176 -7.877 1.00 25.00 C ATOM 1942 NH1 ARG A 130 -15.081 0.504 -7.253 1.00 25.00 N1+ ATOM 1943 NH2 ARG A 130 -12.864 0.835 -7.520 1.00 25.00 N ATOM 0 H ARG A 130 -13.428 6.732 -7.350 1.00 25.00 H new ATOM 0 HA ARG A 130 -10.685 5.767 -7.160 1.00 25.00 H new ATOM 0 HB2 ARG A 130 -12.752 5.826 -9.464 1.00 25.00 H new ATOM 0 HB3 ARG A 130 -11.342 4.787 -9.421 1.00 25.00 H new ATOM 0 HG2 ARG A 130 -12.365 3.621 -7.375 1.00 25.00 H new ATOM 0 HG3 ARG A 130 -13.819 4.564 -7.636 1.00 25.00 H new ATOM 0 HD2 ARG A 130 -13.848 3.686 -10.040 1.00 25.00 H new ATOM 0 HD3 ARG A 130 -12.536 2.611 -9.598 1.00 25.00 H new ATOM 0 HE ARG A 130 -15.346 2.307 -8.949 1.00 25.00 H new ATOM 0 HH11 ARG A 130 -16.057 0.768 -7.388 1.00 25.00 H new ATOM 0 HH12 ARG A 130 -14.843 -0.275 -6.639 1.00 25.00 H new ATOM 0 HH21 ARG A 130 -12.070 1.369 -7.874 1.00 25.00 H new ATOM 0 HH22 ARG A 130 -12.709 0.043 -6.896 1.00 25.00 H new ATOM 1957 N ASN A 131 -11.037 8.494 -8.492 1.00 25.00 N ATOM 1958 CA ASN A 131 -10.384 9.545 -9.335 1.00 25.00 C ATOM 1959 C ASN A 131 -9.025 10.023 -8.795 1.00 25.00 C ATOM 1960 O ASN A 131 -8.921 11.019 -8.051 1.00 25.00 O ATOM 1961 CB ASN A 131 -11.333 10.687 -9.567 1.00 25.00 C ATOM 1962 CG ASN A 131 -12.493 10.404 -10.503 1.00 25.00 C ATOM 1963 OD1 ASN A 131 -12.491 9.407 -11.172 1.00 25.00 O ATOM 1964 ND2 ASN A 131 -13.428 11.255 -10.593 1.00 25.00 N ATOM 0 H ASN A 131 -11.749 8.827 -7.842 1.00 25.00 H new ATOM 0 HA ASN A 131 -10.152 9.080 -10.293 1.00 25.00 H new ATOM 0 HB2 ASN A 131 -11.736 11.000 -8.604 1.00 25.00 H new ATOM 0 HB3 ASN A 131 -10.767 11.529 -9.965 1.00 25.00 H new ATOM 0 HD21 ASN A 131 -14.198 11.099 -11.243 1.00 25.00 H new ATOM 0 HD22 ASN A 131 -13.410 12.095 -10.015 1.00 25.00 H new ATOM 1971 N LEU A 132 -8.014 9.264 -9.158 1.00 25.00 N ATOM 1972 CA LEU A 132 -6.631 9.594 -8.789 1.00 25.00 C ATOM 1973 C LEU A 132 -5.995 10.434 -9.903 1.00 25.00 C ATOM 1974 O LEU A 132 -4.825 10.818 -9.834 1.00 25.00 O ATOM 1975 CB LEU A 132 -5.834 8.340 -8.623 1.00 25.00 C ATOM 1976 CG LEU A 132 -5.935 7.834 -7.200 1.00 25.00 C ATOM 1977 CD1 LEU A 132 -7.215 7.169 -6.873 1.00 75.00 C ATOM 1978 CD2 LEU A 132 -4.824 6.732 -7.001 1.00 75.00 C ATOM 0 H LEU A 132 -8.111 8.411 -9.709 1.00 25.00 H new ATOM 0 HA LEU A 132 -6.638 10.151 -7.852 1.00 25.00 H new ATOM 0 HB2 LEU A 132 -6.196 7.578 -9.313 1.00 25.00 H new ATOM 0 HB3 LEU A 132 -4.791 8.529 -8.875 1.00 25.00 H new ATOM 0 HG LEU A 132 -5.833 8.711 -6.561 1.00 25.00 H new ATOM 0 HD11 LEU A 132 -7.199 6.839 -5.834 1.00 75.00 H new ATOM 0 HD12 LEU A 132 -8.037 7.870 -7.018 1.00 75.00 H new ATOM 0 HD13 LEU A 132 -7.354 6.307 -7.525 1.00 75.00 H new ATOM 0 HD21 LEU A 132 -4.872 6.347 -5.982 1.00 75.00 H new ATOM 0 HD22 LEU A 132 -4.990 5.917 -7.705 1.00 75.00 H new ATOM 0 HD23 LEU A 132 -3.842 7.170 -7.178 1.00 75.00 H new ATOM 1990 N SER A 133 -6.741 10.791 -10.923 1.00 25.00 N ATOM 1991 CA SER A 133 -6.397 11.847 -11.820 1.00 25.00 C ATOM 1992 C SER A 133 -7.181 13.155 -11.630 1.00 25.00 C ATOM 1993 O SER A 133 -8.398 13.129 -11.622 1.00 25.00 O ATOM 1994 CB SER A 133 -6.615 11.394 -13.245 1.00 25.00 C ATOM 1995 OG SER A 133 -6.188 12.311 -14.271 1.00 25.00 O ATOM 0 H SER A 133 -7.626 10.337 -11.150 1.00 25.00 H new ATOM 0 HA SER A 133 -5.353 12.067 -11.597 1.00 25.00 H new ATOM 0 HB2 SER A 133 -6.091 10.449 -13.389 1.00 25.00 H new ATOM 0 HB3 SER A 133 -7.678 11.194 -13.383 1.00 25.00 H new ATOM 0 HG SER A 133 -5.231 12.187 -14.443 1.00 25.00 H new ATOM 2001 N HIS A 134 -6.507 14.246 -11.397 1.00 25.00 N ATOM 2002 CA HIS A 134 -7.098 15.362 -10.682 1.00 25.00 C ATOM 2003 C HIS A 134 -6.468 16.602 -11.223 1.00 25.00 C ATOM 2004 O HIS A 134 -5.267 16.673 -11.443 1.00 25.00 O ATOM 2005 CB HIS A 134 -6.999 15.326 -9.174 1.00 25.00 C ATOM 2006 CG HIS A 134 -7.636 16.513 -8.487 1.00 25.00 C ATOM 2007 ND1 HIS A 134 -6.941 17.382 -7.682 1.00 25.00 N ATOM 2008 CD2 HIS A 134 -8.970 16.890 -8.358 1.00 25.00 C ATOM 2009 CE1 HIS A 134 -7.772 18.311 -7.241 1.00 25.00 C ATOM 2010 NE2 HIS A 134 -8.982 18.040 -7.609 1.00 25.00 N ATOM 0 H HIS A 134 -5.542 14.395 -11.690 1.00 25.00 H new ATOM 0 HA HIS A 134 -8.174 15.316 -10.853 1.00 25.00 H new ATOM 0 HB2 HIS A 134 -7.471 14.413 -8.811 1.00 25.00 H new ATOM 0 HB3 HIS A 134 -5.948 15.276 -8.890 1.00 25.00 H new ATOM 0 HD2 HIS A 134 -9.828 16.378 -8.767 1.00 25.00 H new ATOM 0 HE1 HIS A 134 -7.482 19.172 -6.657 1.00 25.00 H new ATOM 0 HE2 HIS A 134 -9.809 18.591 -7.380 1.00 25.00 H new ATOM 2018 N HIS A 135 -7.301 17.652 -11.452 1.00 25.00 N ATOM 2019 CA HIS A 135 -6.900 18.988 -11.887 1.00 25.00 C ATOM 2020 C HIS A 135 -6.472 19.908 -10.787 1.00 25.00 C ATOM 2021 O HIS A 135 -7.106 19.992 -9.693 1.00 25.00 O ATOM 2022 CB HIS A 135 -8.128 19.700 -12.539 1.00 25.00 C ATOM 2023 CG HIS A 135 -8.626 19.100 -13.792 1.00 25.00 C ATOM 2024 ND1 HIS A 135 -8.705 19.875 -14.923 1.00 25.00 N ATOM 2025 CD2 HIS A 135 -9.096 17.855 -14.169 1.00 25.00 C ATOM 2026 CE1 HIS A 135 -9.135 19.112 -15.937 1.00 25.00 C ATOM 2027 NE2 HIS A 135 -9.438 17.916 -15.469 1.00 25.00 N ATOM 0 H HIS A 135 -8.310 17.572 -11.329 1.00 25.00 H new ATOM 0 HA HIS A 135 -6.057 18.818 -12.557 1.00 25.00 H new ATOM 0 HB2 HIS A 135 -8.943 19.713 -11.815 1.00 25.00 H new ATOM 0 HB3 HIS A 135 -7.860 20.738 -12.736 1.00 25.00 H new ATOM 0 HD1 HIS A 135 -8.475 20.867 -14.981 1.00 25.00 H new ATOM 0 HD2 HIS A 135 -9.175 16.986 -13.532 1.00 25.00 H new ATOM 0 HE1 HIS A 135 -9.220 19.424 -16.967 1.00 25.00 H new ATOM 2035 N ILE A 136 -5.373 20.576 -10.946 1.00 25.00 N ATOM 2036 CA ILE A 136 -4.952 21.534 -9.924 1.00 25.00 C ATOM 2037 C ILE A 136 -4.595 22.858 -10.647 1.00 25.00 C ATOM 2038 O ILE A 136 -3.696 22.842 -11.533 1.00 25.00 O ATOM 2039 CB ILE A 136 -3.667 21.058 -9.077 1.00 25.00 C ATOM 2040 CG1 ILE A 136 -3.837 19.653 -8.542 1.00 25.00 C ATOM 2041 CG2 ILE A 136 -3.272 22.079 -8.039 1.00 25.00 C ATOM 2042 CD1 ILE A 136 -2.522 19.117 -7.828 1.00 25.00 C ATOM 0 H ILE A 136 -4.750 20.493 -11.749 1.00 25.00 H new ATOM 0 HA ILE A 136 -5.773 21.641 -9.215 1.00 25.00 H new ATOM 0 HB ILE A 136 -2.815 21.001 -9.755 1.00 25.00 H new ATOM 0 HG12 ILE A 136 -4.666 19.634 -7.834 1.00 25.00 H new ATOM 0 HG13 ILE A 136 -4.102 18.984 -9.361 1.00 25.00 H new ATOM 0 HG21 ILE A 136 -2.402 21.721 -7.489 1.00 25.00 H new ATOM 0 HG22 ILE A 136 -3.029 23.021 -8.530 1.00 25.00 H new ATOM 0 HG23 ILE A 136 -4.100 22.234 -7.347 1.00 25.00 H new ATOM 0 HD11 ILE A 136 -2.694 18.105 -7.461 1.00 25.00 H new ATOM 0 HD12 ILE A 136 -1.698 19.109 -8.542 1.00 25.00 H new ATOM 0 HD13 ILE A 136 -2.271 19.769 -6.991 1.00 25.00 H new ATOM 2054 N TYR A 137 -5.184 23.909 -10.265 1.00 25.00 N ATOM 2055 CA TYR A 137 -4.712 25.255 -10.704 1.00 25.00 C ATOM 2056 C TYR A 137 -3.467 25.732 -9.938 1.00 25.00 C ATOM 2057 O TYR A 137 -3.451 25.704 -8.720 1.00 25.00 O ATOM 2058 CB TYR A 137 -5.773 26.359 -10.537 1.00 25.00 C ATOM 2059 CG TYR A 137 -5.263 27.722 -10.934 1.00 25.00 C ATOM 2060 CD1 TYR A 137 -4.998 28.736 -9.962 1.00 50.00 C ATOM 2061 CD2 TYR A 137 -4.790 27.933 -12.287 1.00 50.00 C ATOM 2062 CE1 TYR A 137 -4.456 30.050 -10.397 1.00 25.00 C ATOM 2063 CE2 TYR A 137 -4.203 29.179 -12.700 1.00 25.00 C ATOM 2064 CZ TYR A 137 -4.065 30.235 -11.726 1.00 25.00 C ATOM 2065 OH TYR A 137 -3.624 31.462 -12.120 1.00 25.00 O ATOM 0 H TYR A 137 -5.998 23.921 -9.650 1.00 25.00 H new ATOM 0 HA TYR A 137 -4.483 25.108 -11.760 1.00 25.00 H new ATOM 0 HB2 TYR A 137 -6.646 26.112 -11.141 1.00 25.00 H new ATOM 0 HB3 TYR A 137 -6.102 26.387 -9.498 1.00 25.00 H new ATOM 0 HD1 TYR A 137 -5.191 28.548 -8.916 1.00 50.00 H new ATOM 0 HD2 TYR A 137 -4.881 27.132 -13.006 1.00 50.00 H new ATOM 0 HE1 TYR A 137 -4.365 30.860 -9.688 1.00 25.00 H new ATOM 0 HE2 TYR A 137 -3.872 29.322 -13.718 1.00 25.00 H new ATOM 0 HH TYR A 137 -3.387 31.435 -13.071 1.00 25.00 H new ATOM 2075 N ILE A 138 -2.379 26.113 -10.624 1.00 25.00 N ATOM 2076 CA ILE A 138 -1.066 26.433 -10.053 1.00 25.00 C ATOM 2077 C ILE A 138 -0.920 27.930 -10.374 1.00 25.00 C ATOM 2078 O ILE A 138 -1.128 28.340 -11.534 1.00 25.00 O ATOM 2079 CB ILE A 138 0.091 25.642 -10.821 1.00 25.00 C ATOM 2080 CG1 ILE A 138 -0.092 24.100 -10.879 1.00 25.00 C ATOM 2081 CG2 ILE A 138 1.450 26.103 -10.272 1.00 25.00 C ATOM 2082 CD1 ILE A 138 -0.164 23.418 -9.419 1.00 25.00 C ATOM 0 H ILE A 138 -2.393 26.210 -11.639 1.00 25.00 H new ATOM 0 HA ILE A 138 -0.991 26.178 -8.996 1.00 25.00 H new ATOM 0 HB ILE A 138 0.035 25.903 -11.878 1.00 25.00 H new ATOM 0 HG12 ILE A 138 -1.005 23.868 -11.427 1.00 25.00 H new ATOM 0 HG13 ILE A 138 0.735 23.662 -11.438 1.00 25.00 H new ATOM 0 HG21 ILE A 138 2.250 25.571 -10.787 1.00 25.00 H new ATOM 0 HG22 ILE A 138 1.563 27.175 -10.435 1.00 25.00 H new ATOM 0 HG23 ILE A 138 1.502 25.890 -9.204 1.00 25.00 H new ATOM 0 HD11 ILE A 138 -0.292 22.341 -9.526 1.00 25.00 H new ATOM 0 HD12 ILE A 138 0.759 23.621 -8.877 1.00 25.00 H new ATOM 0 HD13 ILE A 138 -1.008 23.830 -8.866 1.00 25.00 H new ATOM 2094 N PRO A 139 -0.601 28.710 -9.343 1.00 25.00 N ATOM 2095 CA PRO A 139 -0.541 30.118 -9.705 1.00 25.00 C ATOM 2096 C PRO A 139 0.679 30.454 -10.565 1.00 25.00 C ATOM 2097 O PRO A 139 1.663 29.742 -10.536 1.00 25.00 O ATOM 2098 CB PRO A 139 -0.508 30.833 -8.400 1.00 25.00 C ATOM 2099 CG PRO A 139 0.316 29.806 -7.502 1.00 25.00 C ATOM 2100 CD PRO A 139 -0.433 28.515 -7.894 1.00 25.00 C ATOM 0 HA PRO A 139 -1.392 30.411 -10.321 1.00 25.00 H new ATOM 0 HB2 PRO A 139 -0.014 31.802 -8.475 1.00 25.00 H new ATOM 0 HB3 PRO A 139 -1.508 31.014 -8.005 1.00 25.00 H new ATOM 0 HG2 PRO A 139 1.375 29.775 -7.757 1.00 25.00 H new ATOM 0 HG3 PRO A 139 0.251 30.027 -6.437 1.00 25.00 H new ATOM 0 HD2 PRO A 139 0.143 27.619 -7.664 1.00 25.00 H new ATOM 0 HD3 PRO A 139 -1.389 28.421 -7.378 1.00 25.00 H new ATOM 2108 N GLU A 140 0.657 31.549 -11.332 1.00 25.00 N ATOM 2109 CA GLU A 140 1.814 32.019 -12.104 1.00 25.00 C ATOM 2110 C GLU A 140 2.502 33.183 -11.389 1.00 25.00 C ATOM 2111 O GLU A 140 2.834 34.175 -12.000 1.00 25.00 O ATOM 2112 CB GLU A 140 1.302 32.345 -13.552 1.00 25.00 C ATOM 2113 CG GLU A 140 2.397 31.909 -14.605 1.00 25.00 C ATOM 2114 CD GLU A 140 2.084 32.425 -16.027 1.00 25.00 C ATOM 2115 OE1 GLU A 140 3.097 32.536 -16.821 1.00 25.00 O ATOM 2116 OE2 GLU A 140 0.936 32.704 -16.421 1.00 25.00 O1- ATOM 0 H GLU A 140 -0.169 32.138 -11.436 1.00 25.00 H new ATOM 0 HA GLU A 140 2.592 31.260 -12.187 1.00 25.00 H new ATOM 0 HB2 GLU A 140 0.366 31.821 -13.746 1.00 25.00 H new ATOM 0 HB3 GLU A 140 1.096 33.411 -13.645 1.00 25.00 H new ATOM 0 HG2 GLU A 140 3.370 32.286 -14.291 1.00 25.00 H new ATOM 0 HG3 GLU A 140 2.467 30.821 -14.623 1.00 25.00 H new ATOM 2123 N ASP A 141 2.506 33.042 -10.041 1.00 25.00 N ATOM 2124 CA ASP A 141 2.863 34.135 -9.136 1.00 25.00 C ATOM 2125 C ASP A 141 4.344 34.703 -9.133 1.00 25.00 C ATOM 2126 O ASP A 141 4.523 35.931 -9.052 1.00 25.00 O ATOM 2127 CB ASP A 141 2.492 33.663 -7.750 1.00 25.00 C ATOM 2128 CG ASP A 141 3.338 32.514 -7.216 1.00 25.00 C ATOM 2129 OD1 ASP A 141 3.614 31.534 -7.903 1.00 50.00 O ATOM 2130 OD2 ASP A 141 3.807 32.668 -6.048 1.00 50.00 O1- ATOM 0 H ASP A 141 2.263 32.173 -9.566 1.00 25.00 H new ATOM 0 HA ASP A 141 2.315 35.001 -9.508 1.00 25.00 H new ATOM 0 HB2 ASP A 141 2.572 34.504 -7.062 1.00 25.00 H new ATOM 0 HB3 ASP A 141 1.447 33.354 -7.755 1.00 25.00 H new ATOM 2135 N ARG A 142 5.323 33.807 -9.105 1.00 25.00 N ATOM 2136 CA ARG A 142 6.739 34.059 -9.208 1.00 25.00 C ATOM 2137 C ARG A 142 7.333 32.818 -9.839 1.00 25.00 C ATOM 2138 O ARG A 142 6.673 31.801 -9.906 1.00 25.00 O ATOM 2139 CB ARG A 142 7.275 34.189 -7.767 1.00 25.00 C ATOM 2140 CG ARG A 142 6.769 35.341 -6.846 1.00 25.00 C ATOM 2141 CD ARG A 142 7.105 36.671 -7.398 1.00 25.00 C ATOM 2142 NE ARG A 142 6.731 37.788 -6.502 1.00 25.00 N ATOM 2143 CZ ARG A 142 7.034 39.057 -6.669 1.00 25.00 C ATOM 2144 NH1 ARG A 142 6.517 39.894 -5.818 1.00 25.00 N1+ ATOM 2145 NH2 ARG A 142 7.819 39.549 -7.631 1.00 25.00 N ATOM 0 H ARG A 142 5.123 32.812 -9.002 1.00 25.00 H new ATOM 0 HA ARG A 142 6.977 34.952 -9.785 1.00 25.00 H new ATOM 0 HB2 ARG A 142 7.063 33.250 -7.257 1.00 25.00 H new ATOM 0 HB3 ARG A 142 8.359 34.279 -7.832 1.00 25.00 H new ATOM 0 HG2 ARG A 142 5.689 35.261 -6.723 1.00 25.00 H new ATOM 0 HG3 ARG A 142 7.212 35.236 -5.855 1.00 25.00 H new ATOM 0 HD2 ARG A 142 8.176 36.715 -7.595 1.00 25.00 H new ATOM 0 HD3 ARG A 142 6.600 36.798 -8.355 1.00 25.00 H new ATOM 0 HE ARG A 142 6.185 37.551 -5.674 1.00 25.00 H new ATOM 0 HH11 ARG A 142 5.912 39.553 -5.071 1.00 25.00 H new ATOM 0 HH12 ARG A 142 6.717 40.891 -5.898 1.00 25.00 H new ATOM 0 HH21 ARG A 142 8.240 38.922 -8.316 1.00 25.00 H new ATOM 0 HH22 ARG A 142 7.997 40.552 -7.681 1.00 25.00 H new ATOM 2159 N LEU A 143 8.596 32.816 -10.176 1.00 25.00 N ATOM 2160 CA LEU A 143 9.421 31.641 -10.619 1.00 25.00 C ATOM 2161 C LEU A 143 9.855 31.058 -9.289 1.00 25.00 C ATOM 2162 O LEU A 143 9.702 31.609 -8.197 1.00 25.00 O ATOM 2163 CB LEU A 143 10.552 32.130 -11.478 1.00 25.00 C ATOM 2164 CG LEU A 143 10.324 32.498 -12.969 1.00 25.00 C ATOM 2165 CD1 LEU A 143 9.800 33.907 -13.176 1.00 50.00 C ATOM 2166 CD2 LEU A 143 11.622 32.370 -13.777 1.00 50.00 C ATOM 0 H LEU A 143 9.145 33.676 -10.159 1.00 25.00 H new ATOM 0 HA LEU A 143 8.917 30.898 -11.236 1.00 25.00 H new ATOM 0 HB2 LEU A 143 10.964 33.014 -10.991 1.00 25.00 H new ATOM 0 HB3 LEU A 143 11.326 31.363 -11.454 1.00 25.00 H new ATOM 0 HG LEU A 143 9.571 31.790 -13.315 1.00 25.00 H new ATOM 0 HD11 LEU A 143 9.665 34.092 -14.242 1.00 50.00 H new ATOM 0 HD12 LEU A 143 8.844 34.018 -12.665 1.00 50.00 H new ATOM 0 HD13 LEU A 143 10.514 34.624 -12.771 1.00 50.00 H new ATOM 0 HD21 LEU A 143 11.431 32.634 -14.817 1.00 50.00 H new ATOM 0 HD22 LEU A 143 12.375 33.042 -13.365 1.00 50.00 H new ATOM 0 HD23 LEU A 143 11.984 31.343 -13.724 1.00 50.00 H new ATOM 2178 N GLY A 144 10.415 29.873 -9.358 1.00 25.00 N ATOM 2179 CA GLY A 144 11.090 29.250 -8.213 1.00 25.00 C ATOM 2180 C GLY A 144 10.328 28.125 -7.636 1.00 25.00 C ATOM 2181 O GLY A 144 9.231 27.717 -8.012 1.00 25.00 O ATOM 0 H GLY A 144 10.423 29.303 -10.204 1.00 25.00 H new ATOM 0 HA2 GLY A 144 12.071 28.894 -8.527 1.00 25.00 H new ATOM 0 HA3 GLY A 144 11.255 30.003 -7.442 1.00 25.00 H new ATOM 2185 N TYR A 145 10.929 27.455 -6.618 1.00 25.00 N ATOM 2186 CA TYR A 145 10.449 26.148 -6.184 1.00 25.00 C ATOM 2187 C TYR A 145 9.458 26.251 -5.046 1.00 25.00 C ATOM 2188 O TYR A 145 9.313 27.322 -4.378 1.00 25.00 O ATOM 2189 CB TYR A 145 11.620 25.227 -5.774 1.00 25.00 C ATOM 2190 CG TYR A 145 12.184 25.626 -4.392 1.00 25.00 C ATOM 2191 CD1 TYR A 145 13.234 26.495 -4.285 1.00 50.00 C ATOM 2192 CD2 TYR A 145 11.591 25.202 -3.139 1.00 50.00 C ATOM 2193 CE1 TYR A 145 13.644 27.053 -3.026 1.00 25.00 C ATOM 2194 CE2 TYR A 145 12.047 25.652 -1.921 1.00 25.00 C ATOM 2195 CZ TYR A 145 13.030 26.606 -1.847 1.00 25.00 C ATOM 2196 OH TYR A 145 13.454 27.069 -0.625 1.00 25.00 O ATOM 0 H TYR A 145 11.734 27.805 -6.099 1.00 25.00 H new ATOM 0 HA TYR A 145 9.936 25.710 -7.040 1.00 25.00 H new ATOM 0 HB2 TYR A 145 11.280 24.192 -5.746 1.00 25.00 H new ATOM 0 HB3 TYR A 145 12.410 25.283 -6.523 1.00 25.00 H new ATOM 0 HD1 TYR A 145 13.774 26.772 -5.178 1.00 50.00 H new ATOM 0 HD2 TYR A 145 10.763 24.509 -3.162 1.00 50.00 H new ATOM 0 HE1 TYR A 145 14.416 27.808 -2.988 1.00 25.00 H new ATOM 0 HE2 TYR A 145 11.626 25.249 -1.012 1.00 25.00 H new ATOM 0 HH TYR A 145 12.682 27.376 -0.105 1.00 25.00 H new ATOM 2206 N HIS A 146 8.755 25.162 -4.840 1.00 25.00 N ATOM 2207 CA HIS A 146 7.676 24.964 -3.853 1.00 25.00 C ATOM 2208 C HIS A 146 7.480 23.480 -3.680 1.00 25.00 C ATOM 2209 O HIS A 146 8.018 22.706 -4.475 1.00 25.00 O ATOM 2210 CB HIS A 146 6.374 25.660 -4.394 1.00 25.00 C ATOM 2211 CG HIS A 146 5.456 24.686 -5.058 1.00 25.00 C ATOM 2212 ND1 HIS A 146 5.827 23.867 -6.127 1.00 25.00 N ATOM 2213 CD2 HIS A 146 4.126 24.408 -4.793 1.00 25.00 C ATOM 2214 CE1 HIS A 146 4.737 23.125 -6.465 1.00 25.00 C ATOM 2215 NE2 HIS A 146 3.710 23.463 -5.700 1.00 25.00 N ATOM 0 H HIS A 146 8.921 24.319 -5.390 1.00 25.00 H new ATOM 0 HA HIS A 146 7.920 25.403 -2.886 1.00 25.00 H new ATOM 0 HB2 HIS A 146 5.853 26.146 -3.569 1.00 25.00 H new ATOM 0 HB3 HIS A 146 6.648 26.442 -5.103 1.00 25.00 H new ATOM 0 HD1 HIS A 146 6.744 23.832 -6.572 1.00 25.00 H new ATOM 0 HD2 HIS A 146 3.524 24.853 -4.014 1.00 25.00 H new ATOM 0 HE1 HIS A 146 4.713 22.374 -7.240 1.00 25.00 H new ATOM 2223 N VAL A 147 6.664 23.035 -2.759 1.00 25.00 N ATOM 2224 CA VAL A 147 6.312 21.604 -2.586 1.00 25.00 C ATOM 2225 C VAL A 147 4.838 21.332 -2.626 1.00 25.00 C ATOM 2226 O VAL A 147 4.091 22.138 -2.062 1.00 25.00 O ATOM 2227 CB VAL A 147 6.854 21.017 -1.284 1.00 25.00 C ATOM 2228 CG1 VAL A 147 7.326 19.564 -1.418 1.00 50.00 C ATOM 2229 CG2 VAL A 147 8.023 21.824 -0.777 1.00 50.00 C ATOM 0 H VAL A 147 6.205 23.648 -2.085 1.00 25.00 H new ATOM 0 HA VAL A 147 6.784 21.122 -3.442 1.00 25.00 H new ATOM 0 HB VAL A 147 6.015 21.049 -0.589 1.00 25.00 H new ATOM 0 HG11 VAL A 147 7.698 19.212 -0.456 1.00 50.00 H new ATOM 0 HG12 VAL A 147 6.492 18.938 -1.735 1.00 50.00 H new ATOM 0 HG13 VAL A 147 8.124 19.508 -2.158 1.00 50.00 H new ATOM 0 HG21 VAL A 147 8.392 21.387 0.151 1.00 50.00 H new ATOM 0 HG22 VAL A 147 8.819 21.819 -1.522 1.00 50.00 H new ATOM 0 HG23 VAL A 147 7.704 22.850 -0.593 1.00 50.00 H new ATOM 2239 N ILE A 148 4.440 20.219 -3.206 1.00 25.00 N ATOM 2240 CA ILE A 148 3.066 19.708 -3.106 1.00 25.00 C ATOM 2241 C ILE A 148 3.234 18.563 -2.095 1.00 25.00 C ATOM 2242 O ILE A 148 4.130 17.726 -2.207 1.00 25.00 O ATOM 2243 CB ILE A 148 2.629 19.122 -4.480 1.00 25.00 C ATOM 2244 CG1 ILE A 148 2.555 20.354 -5.406 1.00 25.00 C ATOM 2245 CG2 ILE A 148 1.162 18.451 -4.409 1.00 25.00 C ATOM 2246 CD1 ILE A 148 2.354 20.015 -6.895 1.00 25.00 C ATOM 0 H ILE A 148 5.056 19.631 -3.767 1.00 25.00 H new ATOM 0 HA ILE A 148 2.327 20.457 -2.822 1.00 25.00 H new ATOM 0 HB ILE A 148 3.319 18.347 -4.813 1.00 25.00 H new ATOM 0 HG12 ILE A 148 1.736 20.993 -5.077 1.00 25.00 H new ATOM 0 HG13 ILE A 148 3.473 20.932 -5.297 1.00 25.00 H new ATOM 0 HG21 ILE A 148 0.895 18.054 -5.389 1.00 25.00 H new ATOM 0 HG22 ILE A 148 1.167 17.642 -3.679 1.00 25.00 H new ATOM 0 HG23 ILE A 148 0.432 19.203 -4.111 1.00 25.00 H new ATOM 0 HD11 ILE A 148 2.313 20.937 -7.476 1.00 25.00 H new ATOM 0 HD12 ILE A 148 3.186 19.403 -7.244 1.00 25.00 H new ATOM 0 HD13 ILE A 148 1.421 19.465 -7.020 1.00 25.00 H new ATOM 2258 N LEU A 149 2.346 18.404 -1.100 1.00 25.00 N ATOM 2259 CA LEU A 149 2.445 17.345 -0.109 1.00 25.00 C ATOM 2260 C LEU A 149 1.129 16.584 -0.103 1.00 25.00 C ATOM 2261 O LEU A 149 0.112 17.190 -0.186 1.00 25.00 O ATOM 2262 CB LEU A 149 2.663 17.872 1.314 1.00 25.00 C ATOM 2263 CG LEU A 149 3.816 18.815 1.751 1.00 25.00 C ATOM 2264 CD1 LEU A 149 5.155 18.411 1.222 1.00 50.00 C ATOM 2265 CD2 LEU A 149 3.529 20.256 1.477 1.00 50.00 C ATOM 0 H LEU A 149 1.539 19.014 -0.969 1.00 25.00 H new ATOM 0 HA LEU A 149 3.301 16.727 -0.380 1.00 25.00 H new ATOM 0 HB2 LEU A 149 1.740 18.382 1.588 1.00 25.00 H new ATOM 0 HB3 LEU A 149 2.741 16.990 1.950 1.00 25.00 H new ATOM 0 HG LEU A 149 3.868 18.701 2.834 1.00 25.00 H new ATOM 0 HD11 LEU A 149 5.911 19.116 1.568 1.00 50.00 H new ATOM 0 HD12 LEU A 149 5.401 17.411 1.579 1.00 50.00 H new ATOM 0 HD13 LEU A 149 5.131 18.411 0.132 1.00 50.00 H new ATOM 0 HD21 LEU A 149 4.372 20.864 1.805 1.00 50.00 H new ATOM 0 HD22 LEU A 149 3.373 20.399 0.408 1.00 50.00 H new ATOM 0 HD23 LEU A 149 2.632 20.558 2.018 1.00 50.00 H new ATOM 2277 N ALA A 150 1.173 15.333 0.188 1.00 25.00 N ATOM 2278 CA ALA A 150 -0.048 14.500 0.290 1.00 25.00 C ATOM 2279 C ALA A 150 0.005 13.484 1.435 1.00 25.00 C ATOM 2280 O ALA A 150 1.091 13.315 1.953 1.00 25.00 O ATOM 2281 CB ALA A 150 -0.222 13.943 -1.057 1.00 25.00 C ATOM 0 H ALA A 150 2.039 14.826 0.368 1.00 25.00 H new ATOM 0 HA ALA A 150 -0.930 15.073 0.575 1.00 25.00 H new ATOM 0 HB1 ALA A 150 -1.108 13.308 -1.077 1.00 25.00 H new ATOM 0 HB2 ALA A 150 -0.341 14.755 -1.774 1.00 25.00 H new ATOM 0 HB3 ALA A 150 0.654 13.351 -1.322 1.00 25.00 H new ATOM 2287 N VAL A 151 -1.134 12.966 1.847 1.00 25.00 N ATOM 2288 CA VAL A 151 -1.299 12.020 2.927 1.00 25.00 C ATOM 2289 C VAL A 151 -2.437 11.087 2.506 1.00 25.00 C ATOM 2290 O VAL A 151 -3.580 11.511 2.232 1.00 25.00 O ATOM 2291 CB VAL A 151 -1.594 12.589 4.339 1.00 25.00 C ATOM 2292 CG1 VAL A 151 -1.349 11.533 5.386 1.00 50.00 C ATOM 2293 CG2 VAL A 151 -0.825 13.824 4.678 1.00 50.00 C ATOM 0 H VAL A 151 -2.022 13.210 1.409 1.00 25.00 H new ATOM 0 HA VAL A 151 -0.332 11.534 3.059 1.00 25.00 H new ATOM 0 HB VAL A 151 -2.644 12.881 4.326 1.00 25.00 H new ATOM 0 HG11 VAL A 151 -1.559 11.944 6.373 1.00 50.00 H new ATOM 0 HG12 VAL A 151 -2.001 10.680 5.202 1.00 50.00 H new ATOM 0 HG13 VAL A 151 -0.309 11.211 5.341 1.00 50.00 H new ATOM 0 HG21 VAL A 151 -1.091 14.154 5.682 1.00 50.00 H new ATOM 0 HG22 VAL A 151 0.243 13.610 4.638 1.00 50.00 H new ATOM 0 HG23 VAL A 151 -1.065 14.610 3.962 1.00 50.00 H new ATOM 2303 N TRP A 152 -2.161 9.795 2.399 1.00 25.00 N ATOM 2304 CA TRP A 152 -3.124 8.686 2.273 1.00 25.00 C ATOM 2305 C TRP A 152 -3.407 8.021 3.587 1.00 25.00 C ATOM 2306 O TRP A 152 -2.508 7.511 4.255 1.00 25.00 O ATOM 2307 CB TRP A 152 -2.590 7.661 1.371 1.00 25.00 C ATOM 2308 CG TRP A 152 -3.381 7.228 0.176 1.00 25.00 C ATOM 2309 CD1 TRP A 152 -4.470 6.390 0.127 1.00 25.00 C ATOM 2310 CD2 TRP A 152 -3.215 7.688 -1.151 1.00 25.00 C ATOM 2311 NE1 TRP A 152 -4.981 6.318 -1.125 1.00 25.00 N ATOM 2312 CE2 TRP A 152 -4.254 7.111 -1.942 1.00 25.00 C ATOM 2313 CE3 TRP A 152 -2.333 8.589 -1.785 1.00 25.00 C ATOM 2314 CZ2 TRP A 152 -4.456 7.441 -3.329 1.00 25.00 C ATOM 2315 CZ3 TRP A 152 -2.515 8.880 -3.148 1.00 25.00 C ATOM 2316 CH2 TRP A 152 -3.548 8.258 -3.926 1.00 25.00 C ATOM 0 H TRP A 152 -1.197 9.461 2.397 1.00 25.00 H new ATOM 0 HA TRP A 152 -4.046 9.120 1.887 1.00 25.00 H new ATOM 0 HB2 TRP A 152 -1.626 8.018 1.009 1.00 25.00 H new ATOM 0 HB3 TRP A 152 -2.396 6.772 1.970 1.00 25.00 H new ATOM 0 HD1 TRP A 152 -4.867 5.857 0.978 1.00 25.00 H new ATOM 0 HE1 TRP A 152 -5.785 5.756 -1.406 1.00 25.00 H new ATOM 0 HE3 TRP A 152 -1.529 9.049 -1.230 1.00 25.00 H new ATOM 0 HZ2 TRP A 152 -5.301 7.052 -3.877 1.00 25.00 H new ATOM 0 HZ3 TRP A 152 -1.858 9.593 -3.624 1.00 25.00 H new ATOM 0 HH2 TRP A 152 -3.604 8.439 -4.989 1.00 25.00 H new ATOM 2327 N ASP A 153 -4.627 8.115 3.949 1.00 25.00 N ATOM 2328 CA ASP A 153 -5.043 7.565 5.226 1.00 25.00 C ATOM 2329 C ASP A 153 -5.585 6.179 4.877 1.00 25.00 C ATOM 2330 O ASP A 153 -6.652 5.992 4.225 1.00 25.00 O ATOM 2331 CB ASP A 153 -6.207 8.358 5.837 1.00 25.00 C ATOM 2332 CG ASP A 153 -5.769 9.616 6.528 1.00 25.00 C ATOM 2333 OD1 ASP A 153 -6.121 10.756 6.086 1.00 25.00 O ATOM 2334 OD2 ASP A 153 -4.886 9.497 7.422 1.00 25.00 O1- ATOM 0 H ASP A 153 -5.366 8.558 3.403 1.00 25.00 H new ATOM 0 HA ASP A 153 -4.217 7.576 5.937 1.00 25.00 H new ATOM 0 HB2 ASP A 153 -6.917 8.612 5.050 1.00 25.00 H new ATOM 0 HB3 ASP A 153 -6.735 7.725 6.550 1.00 25.00 H new ATOM 2339 N VAL A 154 -4.869 5.179 5.305 1.00 25.00 N ATOM 2340 CA VAL A 154 -5.237 3.823 5.071 1.00 25.00 C ATOM 2341 C VAL A 154 -6.264 3.353 6.177 1.00 25.00 C ATOM 2342 O VAL A 154 -6.117 3.546 7.377 1.00 25.00 O ATOM 2343 CB VAL A 154 -3.950 2.986 5.011 1.00 25.00 C ATOM 2344 CG1 VAL A 154 -4.330 1.438 4.886 1.00 50.00 C ATOM 2345 CG2 VAL A 154 -3.171 3.414 3.741 1.00 50.00 C ATOM 0 H VAL A 154 -4.003 5.290 5.833 1.00 25.00 H new ATOM 0 HA VAL A 154 -5.752 3.696 4.119 1.00 25.00 H new ATOM 0 HB VAL A 154 -3.351 3.140 5.909 1.00 25.00 H new ATOM 0 HG11 VAL A 154 -3.418 0.842 4.843 1.00 50.00 H new ATOM 0 HG12 VAL A 154 -4.920 1.137 5.752 1.00 50.00 H new ATOM 0 HG13 VAL A 154 -4.911 1.278 3.978 1.00 50.00 H new ATOM 0 HG21 VAL A 154 -2.249 2.837 3.668 1.00 50.00 H new ATOM 0 HG22 VAL A 154 -3.784 3.231 2.859 1.00 50.00 H new ATOM 0 HG23 VAL A 154 -2.931 4.475 3.802 1.00 50.00 H new ATOM 2355 N ALA A 155 -7.393 2.871 5.723 1.00 25.00 N ATOM 2356 CA ALA A 155 -8.502 2.570 6.674 1.00 25.00 C ATOM 2357 C ALA A 155 -8.179 1.367 7.532 1.00 25.00 C ATOM 2358 O ALA A 155 -8.702 1.201 8.640 1.00 25.00 O ATOM 2359 CB ALA A 155 -9.860 2.305 5.917 1.00 25.00 C ATOM 0 H ALA A 155 -7.593 2.675 4.742 1.00 25.00 H new ATOM 0 HA ALA A 155 -8.613 3.449 7.309 1.00 25.00 H new ATOM 0 HB1 ALA A 155 -10.645 2.089 6.642 1.00 25.00 H new ATOM 0 HB2 ALA A 155 -10.133 3.188 5.339 1.00 25.00 H new ATOM 0 HB3 ALA A 155 -9.742 1.454 5.246 1.00 25.00 H new ATOM 2365 N ASP A 156 -7.298 0.530 6.998 1.00 25.00 N ATOM 2366 CA ASP A 156 -7.038 -0.690 7.712 1.00 25.00 C ATOM 2367 C ASP A 156 -6.119 -0.528 8.944 1.00 25.00 C ATOM 2368 O ASP A 156 -6.101 -1.349 9.811 1.00 25.00 O ATOM 2369 CB ASP A 156 -6.340 -1.682 6.784 1.00 25.00 C ATOM 2370 CG ASP A 156 -7.152 -1.971 5.532 1.00 25.00 C ATOM 2371 OD1 ASP A 156 -6.563 -1.909 4.466 1.00 25.00 O ATOM 2372 OD2 ASP A 156 -8.371 -2.319 5.612 1.00 25.00 O1- ATOM 0 H ASP A 156 -6.785 0.668 6.127 1.00 25.00 H new ATOM 0 HA ASP A 156 -8.014 -1.031 8.057 1.00 25.00 H new ATOM 0 HB2 ASP A 156 -5.366 -1.285 6.499 1.00 25.00 H new ATOM 0 HB3 ASP A 156 -6.160 -2.613 7.321 1.00 25.00 H new ATOM 2377 N THR A 157 -5.384 0.556 9.069 1.00 25.00 N ATOM 2378 CA THR A 157 -4.366 0.820 10.123 1.00 25.00 C ATOM 2379 C THR A 157 -4.592 2.131 10.893 1.00 25.00 C ATOM 2380 O THR A 157 -5.291 3.035 10.452 1.00 25.00 O ATOM 2381 CB THR A 157 -2.994 0.892 9.429 1.00 25.00 C ATOM 2382 OG1 THR A 157 -3.047 1.830 8.380 1.00 25.00 O ATOM 2383 CG2 THR A 157 -2.633 -0.520 8.735 1.00 25.00 C ATOM 0 H THR A 157 -5.468 1.333 8.414 1.00 25.00 H new ATOM 0 HA THR A 157 -4.434 0.016 10.855 1.00 25.00 H new ATOM 0 HB THR A 157 -2.257 1.159 10.186 1.00 25.00 H new ATOM 0 HG1 THR A 157 -2.777 2.711 8.715 1.00 25.00 H new ATOM 0 HG21 THR A 157 -1.660 -0.449 8.250 1.00 25.00 H new ATOM 0 HG22 THR A 157 -2.604 -1.302 9.494 1.00 25.00 H new ATOM 0 HG23 THR A 157 -3.392 -0.765 7.992 1.00 25.00 H new ATOM 2391 N GLU A 158 -4.055 2.185 12.090 1.00 25.00 N ATOM 2392 CA GLU A 158 -3.909 3.488 12.770 1.00 25.00 C ATOM 2393 C GLU A 158 -2.877 4.383 12.010 1.00 25.00 C ATOM 2394 O GLU A 158 -2.886 5.621 12.080 1.00 25.00 O ATOM 2395 CB GLU A 158 -3.537 3.377 14.279 1.00 25.00 C ATOM 2396 CG GLU A 158 -4.082 4.579 15.020 1.00 25.00 C ATOM 2397 CD GLU A 158 -5.574 4.431 15.317 1.00 25.00 C ATOM 2398 OE1 GLU A 158 -6.366 5.093 14.709 1.00 25.00 O ATOM 2399 OE2 GLU A 158 -5.927 3.710 16.304 1.00 25.00 O1- ATOM 0 H GLU A 158 -3.716 1.379 12.615 1.00 25.00 H new ATOM 0 HA GLU A 158 -4.893 3.956 12.743 1.00 25.00 H new ATOM 0 HB2 GLU A 158 -3.948 2.459 14.700 1.00 25.00 H new ATOM 0 HB3 GLU A 158 -2.455 3.324 14.395 1.00 25.00 H new ATOM 0 HG2 GLU A 158 -3.536 4.709 15.954 1.00 25.00 H new ATOM 0 HG3 GLU A 158 -3.916 5.478 14.427 1.00 25.00 H new ATOM 2406 N ASN A 159 -1.920 3.793 11.364 1.00 25.00 N ATOM 2407 CA ASN A 159 -0.958 4.566 10.594 1.00 25.00 C ATOM 2408 C ASN A 159 -1.446 5.024 9.224 1.00 25.00 C ATOM 2409 O ASN A 159 -2.424 4.567 8.691 1.00 25.00 O ATOM 2410 CB ASN A 159 0.288 3.671 10.284 1.00 25.00 C ATOM 2411 CG ASN A 159 0.991 3.264 11.527 1.00 25.00 C ATOM 2412 OD1 ASN A 159 1.105 4.021 12.513 1.00 25.00 O ATOM 2413 ND2 ASN A 159 1.547 2.104 11.432 1.00 25.00 N ATOM 0 H ASN A 159 -1.773 2.784 11.346 1.00 25.00 H new ATOM 0 HA ASN A 159 -0.756 5.441 11.212 1.00 25.00 H new ATOM 0 HB2 ASN A 159 -0.028 2.783 9.737 1.00 25.00 H new ATOM 0 HB3 ASN A 159 0.976 4.216 9.638 1.00 25.00 H new ATOM 0 HD21 ASN A 159 2.125 1.751 12.195 1.00 25.00 H new ATOM 0 HD22 ASN A 159 1.409 1.539 10.594 1.00 25.00 H new ATOM 2420 N ALA A 160 -0.764 6.009 8.703 1.00 25.00 N ATOM 2421 CA ALA A 160 -1.046 6.587 7.384 1.00 25.00 C ATOM 2422 C ALA A 160 0.269 6.737 6.623 1.00 25.00 C ATOM 2423 O ALA A 160 1.297 6.704 7.234 1.00 25.00 O ATOM 2424 CB ALA A 160 -1.668 7.963 7.641 1.00 25.00 C ATOM 0 H ALA A 160 0.021 6.452 9.180 1.00 25.00 H new ATOM 0 HA ALA A 160 -1.717 5.962 6.795 1.00 25.00 H new ATOM 0 HB1 ALA A 160 -1.899 8.441 6.689 1.00 25.00 H new ATOM 0 HB2 ALA A 160 -2.584 7.846 8.220 1.00 25.00 H new ATOM 0 HB3 ALA A 160 -0.964 8.582 8.197 1.00 25.00 H new ATOM 2430 N PHE A 161 0.241 6.990 5.350 1.00 25.00 N ATOM 2431 CA PHE A 161 1.456 7.240 4.545 1.00 25.00 C ATOM 2432 C PHE A 161 1.391 8.667 4.029 1.00 25.00 C ATOM 2433 O PHE A 161 0.312 9.103 3.709 1.00 25.00 O ATOM 2434 CB PHE A 161 1.416 6.314 3.311 1.00 25.00 C ATOM 2435 CG PHE A 161 1.659 4.884 3.684 1.00 25.00 C ATOM 2436 CD1 PHE A 161 0.585 3.986 3.619 1.00 50.00 C ATOM 2437 CD2 PHE A 161 2.919 4.439 4.132 1.00 50.00 C ATOM 2438 CE1 PHE A 161 0.750 2.592 3.862 1.00 25.00 C ATOM 2439 CE2 PHE A 161 3.084 3.092 4.392 1.00 25.00 C ATOM 2440 CZ PHE A 161 2.016 2.141 4.212 1.00 25.00 C ATOM 0 H PHE A 161 -0.623 7.035 4.810 1.00 25.00 H new ATOM 0 HA PHE A 161 2.351 7.069 5.143 1.00 25.00 H new ATOM 0 HB2 PHE A 161 0.447 6.403 2.821 1.00 25.00 H new ATOM 0 HB3 PHE A 161 2.168 6.635 2.590 1.00 25.00 H new ATOM 0 HD1 PHE A 161 -0.398 4.362 3.377 1.00 50.00 H new ATOM 0 HD2 PHE A 161 3.735 5.133 4.269 1.00 50.00 H new ATOM 0 HE1 PHE A 161 -0.082 1.909 3.777 1.00 25.00 H new ATOM 0 HE2 PHE A 161 4.044 2.741 4.741 1.00 25.00 H new ATOM 0 HZ PHE A 161 2.199 1.085 4.348 1.00 25.00 H new ATOM 2450 N TYR A 162 2.559 9.321 3.944 1.00 25.00 N ATOM 2451 CA TYR A 162 2.547 10.644 3.346 1.00 25.00 C ATOM 2452 C TYR A 162 3.503 10.619 2.172 1.00 25.00 C ATOM 2453 O TYR A 162 4.325 9.700 2.019 1.00 25.00 O ATOM 2454 CB TYR A 162 2.948 11.683 4.375 1.00 25.00 C ATOM 2455 CG TYR A 162 4.350 11.549 4.896 1.00 25.00 C ATOM 2456 CD1 TYR A 162 4.688 10.943 6.145 1.00 50.00 C ATOM 2457 CD2 TYR A 162 5.376 12.099 4.125 1.00 50.00 C ATOM 2458 CE1 TYR A 162 5.967 11.027 6.637 1.00 25.00 C ATOM 2459 CE2 TYR A 162 6.704 12.237 4.610 1.00 25.00 C ATOM 2460 CZ TYR A 162 6.977 11.670 5.881 1.00 25.00 C ATOM 2461 OH TYR A 162 8.288 11.839 6.273 1.00 25.00 O ATOM 0 H TYR A 162 3.465 8.976 4.262 1.00 25.00 H new ATOM 0 HA TYR A 162 1.549 10.912 2.998 1.00 25.00 H new ATOM 0 HB2 TYR A 162 2.833 12.673 3.934 1.00 25.00 H new ATOM 0 HB3 TYR A 162 2.257 11.626 5.216 1.00 25.00 H new ATOM 0 HD1 TYR A 162 3.932 10.415 6.706 1.00 50.00 H new ATOM 0 HD2 TYR A 162 5.152 12.432 3.122 1.00 50.00 H new ATOM 0 HE1 TYR A 162 6.203 10.602 7.602 1.00 25.00 H new ATOM 0 HE2 TYR A 162 7.466 12.747 4.040 1.00 25.00 H new ATOM 0 HH TYR A 162 8.552 11.099 6.859 1.00 25.00 H new ATOM 2471 N GLN A 163 3.244 11.524 1.261 1.00 25.00 N ATOM 2472 CA GLN A 163 4.007 11.661 0.032 1.00 25.00 C ATOM 2473 C GLN A 163 4.474 13.083 -0.096 1.00 25.00 C ATOM 2474 O GLN A 163 3.806 13.971 0.429 1.00 25.00 O ATOM 2475 CB GLN A 163 3.066 11.384 -1.170 1.00 25.00 C ATOM 2476 CG GLN A 163 2.505 10.047 -1.237 1.00 25.00 C ATOM 2477 CD GLN A 163 1.207 9.852 -0.301 1.00 25.00 C ATOM 2478 OE1 GLN A 163 0.361 10.687 -0.197 1.00 25.00 O ATOM 2479 NE2 GLN A 163 1.138 8.720 0.375 1.00 25.00 N ATOM 0 H GLN A 163 2.486 12.200 1.348 1.00 25.00 H new ATOM 0 HA GLN A 163 4.849 10.969 0.047 1.00 25.00 H new ATOM 0 HB2 GLN A 163 2.246 12.101 -1.138 1.00 25.00 H new ATOM 0 HB3 GLN A 163 3.618 11.573 -2.091 1.00 25.00 H new ATOM 0 HG2 GLN A 163 2.236 9.825 -2.270 1.00 25.00 H new ATOM 0 HG3 GLN A 163 3.268 9.325 -0.944 1.00 25.00 H new ATOM 0 HE21 GLN A 163 1.872 8.019 0.272 1.00 25.00 H new ATOM 0 HE22 GLN A 163 0.351 8.547 1.000 1.00 25.00 H new ATOM 2488 N VAL A 164 5.607 13.273 -0.783 1.00 25.00 N ATOM 2489 CA VAL A 164 6.168 14.614 -0.950 1.00 25.00 C ATOM 2490 C VAL A 164 6.573 14.713 -2.386 1.00 25.00 C ATOM 2491 O VAL A 164 7.106 13.731 -2.986 1.00 25.00 O ATOM 2492 CB VAL A 164 7.315 14.770 0.084 1.00 25.00 C ATOM 2493 CG1 VAL A 164 8.240 13.507 0.224 1.00 75.00 C ATOM 2494 CG2 VAL A 164 8.123 15.967 -0.260 1.00 75.00 C ATOM 0 H VAL A 164 6.144 12.527 -1.225 1.00 25.00 H new ATOM 0 HA VAL A 164 5.481 15.437 -0.752 1.00 25.00 H new ATOM 0 HB VAL A 164 6.841 14.888 1.058 1.00 25.00 H new ATOM 0 HG11 VAL A 164 9.013 13.703 0.967 1.00 75.00 H new ATOM 0 HG12 VAL A 164 7.643 12.652 0.539 1.00 75.00 H new ATOM 0 HG13 VAL A 164 8.706 13.289 -0.737 1.00 75.00 H new ATOM 0 HG21 VAL A 164 8.930 16.081 0.463 1.00 75.00 H new ATOM 0 HG22 VAL A 164 8.544 15.847 -1.258 1.00 75.00 H new ATOM 0 HG23 VAL A 164 7.488 16.853 -0.238 1.00 75.00 H new ATOM 2504 N ILE A 165 6.259 15.830 -3.032 1.00 25.00 N ATOM 2505 CA ILE A 165 6.687 16.007 -4.414 1.00 25.00 C ATOM 2506 C ILE A 165 7.130 17.475 -4.526 1.00 25.00 C ATOM 2507 O ILE A 165 6.258 18.382 -4.571 1.00 25.00 O ATOM 2508 CB ILE A 165 5.467 15.840 -5.458 1.00 25.00 C ATOM 2509 CG1 ILE A 165 4.402 14.859 -4.865 1.00 25.00 C ATOM 2510 CG2 ILE A 165 6.076 15.414 -6.777 1.00 25.00 C ATOM 2511 CD1 ILE A 165 3.145 14.686 -5.696 1.00 25.00 C ATOM 0 H ILE A 165 5.726 16.605 -2.636 1.00 25.00 H new ATOM 0 HA ILE A 165 7.456 15.270 -4.645 1.00 25.00 H new ATOM 0 HB ILE A 165 4.918 16.765 -5.636 1.00 25.00 H new ATOM 0 HG12 ILE A 165 4.867 13.882 -4.732 1.00 25.00 H new ATOM 0 HG13 ILE A 165 4.117 15.214 -3.875 1.00 25.00 H new ATOM 0 HG21 ILE A 165 5.287 15.288 -7.518 1.00 25.00 H new ATOM 0 HG22 ILE A 165 6.775 16.177 -7.118 1.00 25.00 H new ATOM 0 HG23 ILE A 165 6.605 14.470 -6.646 1.00 25.00 H new ATOM 0 HD11 ILE A 165 2.473 13.987 -5.198 1.00 25.00 H new ATOM 0 HD12 ILE A 165 2.648 15.650 -5.809 1.00 25.00 H new ATOM 0 HD13 ILE A 165 3.410 14.297 -6.679 1.00 25.00 H new ATOM 2523 N ASP A 166 8.448 17.788 -4.620 1.00 25.00 N ATOM 2524 CA ASP A 166 8.946 19.121 -4.841 1.00 25.00 C ATOM 2525 C ASP A 166 8.991 19.532 -6.330 1.00 25.00 C ATOM 2526 O ASP A 166 9.432 18.762 -7.156 1.00 25.00 O ATOM 2527 CB ASP A 166 10.331 19.341 -4.183 1.00 25.00 C ATOM 2528 CG ASP A 166 10.682 20.788 -3.974 1.00 25.00 C ATOM 2529 OD1 ASP A 166 11.048 21.148 -2.857 1.00 25.00 O ATOM 2530 OD2 ASP A 166 10.872 21.542 -4.967 1.00 25.00 O1- ATOM 0 H ASP A 166 9.187 17.090 -4.539 1.00 25.00 H new ATOM 0 HA ASP A 166 8.219 19.773 -4.356 1.00 25.00 H new ATOM 0 HB2 ASP A 166 10.351 18.830 -3.221 1.00 25.00 H new ATOM 0 HB3 ASP A 166 11.096 18.878 -4.806 1.00 25.00 H new ATOM 2535 N VAL A 167 8.491 20.684 -6.701 1.00 25.00 N ATOM 2536 CA VAL A 167 8.592 21.179 -8.081 1.00 25.00 C ATOM 2537 C VAL A 167 9.077 22.626 -8.164 1.00 25.00 C ATOM 2538 O VAL A 167 8.658 23.476 -7.376 1.00 25.00 O ATOM 2539 CB VAL A 167 7.261 21.122 -8.900 1.00 25.00 C ATOM 2540 CG1 VAL A 167 7.417 20.858 -10.343 1.00 50.00 C ATOM 2541 CG2 VAL A 167 6.350 20.089 -8.299 1.00 50.00 C ATOM 0 H VAL A 167 8.000 21.316 -6.068 1.00 25.00 H new ATOM 0 HA VAL A 167 9.316 20.490 -8.515 1.00 25.00 H new ATOM 0 HB VAL A 167 6.838 22.124 -8.834 1.00 25.00 H new ATOM 0 HG11 VAL A 167 6.436 20.839 -10.817 1.00 50.00 H new ATOM 0 HG12 VAL A 167 8.023 21.645 -10.793 1.00 50.00 H new ATOM 0 HG13 VAL A 167 7.908 19.895 -10.486 1.00 50.00 H new ATOM 0 HG21 VAL A 167 5.421 20.047 -8.868 1.00 50.00 H new ATOM 0 HG22 VAL A 167 6.837 19.114 -8.327 1.00 50.00 H new ATOM 0 HG23 VAL A 167 6.130 20.355 -7.265 1.00 50.00 H new ATOM 2551 N ASP A 168 9.901 22.872 -9.197 1.00 25.00 N ATOM 2552 CA ASP A 168 10.218 24.229 -9.552 1.00 25.00 C ATOM 2553 C ASP A 168 9.081 24.752 -10.460 1.00 25.00 C ATOM 2554 O ASP A 168 8.694 23.996 -11.340 1.00 25.00 O ATOM 2555 CB ASP A 168 11.512 24.204 -10.342 1.00 25.00 C ATOM 2556 CG ASP A 168 12.132 25.563 -10.552 1.00 25.00 C ATOM 2557 OD1 ASP A 168 12.982 25.776 -11.441 1.00 25.00 O ATOM 2558 OD2 ASP A 168 11.829 26.496 -9.812 1.00 25.00 O1- ATOM 0 H ASP A 168 10.340 22.156 -9.776 1.00 25.00 H new ATOM 0 HA ASP A 168 10.323 24.864 -8.672 1.00 25.00 H new ATOM 0 HB2 ASP A 168 12.228 23.566 -9.825 1.00 25.00 H new ATOM 0 HB3 ASP A 168 11.323 23.749 -11.314 1.00 25.00 H new ATOM 2563 N LEU A 169 8.528 25.924 -10.237 1.00 25.00 N ATOM 2564 CA LEU A 169 7.380 26.378 -11.057 1.00 25.00 C ATOM 2565 C LEU A 169 7.828 27.716 -11.559 1.00 25.00 C ATOM 2566 O LEU A 169 8.379 28.453 -10.810 1.00 25.00 O ATOM 2567 CB LEU A 169 6.129 26.593 -10.178 1.00 25.00 C ATOM 2568 CG LEU A 169 5.470 25.386 -9.430 1.00 25.00 C ATOM 2569 CD1 LEU A 169 4.412 25.953 -8.524 1.00 50.00 C ATOM 2570 CD2 LEU A 169 4.932 24.343 -10.436 1.00 50.00 C ATOM 0 H LEU A 169 8.831 26.580 -9.517 1.00 25.00 H new ATOM 0 HA LEU A 169 7.120 25.660 -11.835 1.00 25.00 H new ATOM 0 HB2 LEU A 169 6.389 27.336 -9.424 1.00 25.00 H new ATOM 0 HB3 LEU A 169 5.362 27.037 -10.812 1.00 25.00 H new ATOM 0 HG LEU A 169 6.195 24.842 -8.825 1.00 25.00 H new ATOM 0 HD11 LEU A 169 3.925 25.143 -7.981 1.00 50.00 H new ATOM 0 HD12 LEU A 169 4.871 26.641 -7.814 1.00 50.00 H new ATOM 0 HD13 LEU A 169 3.671 26.487 -9.119 1.00 50.00 H new ATOM 0 HD21 LEU A 169 4.479 23.514 -9.893 1.00 50.00 H new ATOM 0 HD22 LEU A 169 4.184 24.809 -11.078 1.00 50.00 H new ATOM 0 HD23 LEU A 169 5.753 23.970 -11.048 1.00 50.00 H new ATOM 2582 N VAL A 170 7.686 27.947 -12.850 1.00 25.00 N ATOM 2583 CA VAL A 170 8.226 29.110 -13.522 1.00 25.00 C ATOM 2584 C VAL A 170 7.091 29.629 -14.437 1.00 25.00 C ATOM 2585 O VAL A 170 6.109 28.948 -14.610 1.00 25.00 O ATOM 2586 CB VAL A 170 9.552 28.792 -14.287 1.00 25.00 C ATOM 2587 CG1 VAL A 170 10.683 28.375 -13.360 1.00 50.00 C ATOM 2588 CG2 VAL A 170 9.310 27.677 -15.417 1.00 50.00 C ATOM 0 H VAL A 170 7.181 27.317 -13.473 1.00 25.00 H new ATOM 0 HA VAL A 170 8.523 29.883 -12.813 1.00 25.00 H new ATOM 0 HB VAL A 170 9.861 29.721 -14.767 1.00 25.00 H new ATOM 0 HG11 VAL A 170 11.577 28.167 -13.948 1.00 50.00 H new ATOM 0 HG12 VAL A 170 10.891 29.180 -12.655 1.00 50.00 H new ATOM 0 HG13 VAL A 170 10.393 27.479 -12.812 1.00 50.00 H new ATOM 0 HG21 VAL A 170 10.248 27.474 -15.934 1.00 50.00 H new ATOM 0 HG22 VAL A 170 8.946 26.761 -14.952 1.00 50.00 H new ATOM 0 HG23 VAL A 170 8.572 28.039 -16.133 1.00 50.00 H new ATOM 2598 N ASN A 171 7.231 30.778 -15.050 1.00 25.00 N ATOM 2599 CA ASN A 171 6.208 31.346 -15.919 1.00 25.00 C ATOM 2600 C ASN A 171 6.228 30.696 -17.320 1.00 25.00 C ATOM 2601 O ASN A 171 7.287 30.170 -17.818 1.00 25.00 O ATOM 2602 CB ASN A 171 6.415 32.857 -16.129 1.00 25.00 C ATOM 2603 CG ASN A 171 6.117 33.637 -14.905 1.00 25.00 C ATOM 2604 OD1 ASN A 171 6.585 33.321 -13.839 1.00 25.00 O ATOM 2605 ND2 ASN A 171 5.402 34.743 -15.072 1.00 25.00 N ATOM 0 H ASN A 171 8.065 31.359 -14.964 1.00 25.00 H new ATOM 0 HA ASN A 171 5.258 31.155 -15.419 1.00 25.00 H new ATOM 0 HB2 ASN A 171 7.445 33.042 -16.434 1.00 25.00 H new ATOM 0 HB3 ASN A 171 5.775 33.200 -16.942 1.00 25.00 H new ATOM 0 HD21 ASN A 171 5.230 35.363 -14.281 1.00 25.00 H new ATOM 0 HD22 ASN A 171 5.025 34.972 -15.991 1.00 25.00 H new ATOM 2612 N LYS A 172 5.047 30.582 -17.903 1.00 25.00 N ATOM 2613 CA LYS A 172 4.795 30.018 -19.260 1.00 25.00 C ATOM 2614 C LYS A 172 5.539 30.799 -20.360 1.00 25.00 C ATOM 2615 O LYS A 172 5.960 30.107 -21.363 1.00 25.00 O ATOM 2616 CB LYS A 172 3.284 30.078 -19.569 1.00 25.00 C ATOM 2617 CG LYS A 172 2.373 29.388 -18.601 1.00 25.00 C ATOM 2618 CD LYS A 172 0.943 29.686 -18.870 1.00 25.00 C ATOM 2619 CE LYS A 172 0.395 28.867 -20.076 1.00 25.00 C ATOM 2620 NZ LYS A 172 -0.981 29.287 -20.487 1.00 25.00 N1+ ATOM 2621 OXT LYS A 172 5.640 32.035 -20.248 1.00 25.00 O1- ATOM 0 H LYS A 172 4.189 30.886 -17.443 1.00 25.00 H new ATOM 0 HA LYS A 172 5.159 28.990 -19.255 1.00 25.00 H new ATOM 0 HB2 LYS A 172 2.989 31.126 -19.626 1.00 25.00 H new ATOM 0 HB3 LYS A 172 3.121 29.647 -20.557 1.00 25.00 H new ATOM 0 HG2 LYS A 172 2.535 28.311 -18.656 1.00 25.00 H new ATOM 0 HG3 LYS A 172 2.622 29.697 -17.586 1.00 25.00 H new ATOM 0 HD2 LYS A 172 0.352 29.463 -17.981 1.00 25.00 H new ATOM 0 HD3 LYS A 172 0.826 30.751 -19.071 1.00 25.00 H new ATOM 0 HE2 LYS A 172 1.072 28.979 -20.923 1.00 25.00 H new ATOM 0 HE3 LYS A 172 0.384 27.809 -19.815 1.00 25.00 H new ATOM 0 HZ1 LYS A 172 -1.294 28.709 -21.293 1.00 25.00 H new ATOM 0 HZ2 LYS A 172 -1.637 29.155 -19.691 1.00 25.00 H new ATOM 0 HZ3 LYS A 172 -0.970 30.289 -20.764 1.00 25.00 H new TER 2635 LYS A 172 HETATM 2636 CU CU1 A 173 0.961 0.153 0.140 1.00 0.00 CU