USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 709 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 Single : A 1 MET CE :methyl -163:sc= -0.151 (180deg=-0.787) USER MOD Single : A 1 MET N :NH3+ -169:sc= 1.26 (180deg=0.995) USER MOD Single : A 3 MET CE :methyl -130:sc= -1.68 (180deg=-4.62!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 175:sc=-0.00308 (180deg=-0.0496) USER MOD Single : A 22 MET CE :methyl 141:sc= -2.53! (180deg=-3.72!) USER MOD Single : A 25 GLN : amide:sc= -0.0265 X(o=-0.026,f=-0.026) USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= -0.0858 (180deg=-0.358) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= -0.254 F(o=-3!,f=-0.25) USER MOD Single : A 47 THR OG1 : rot -93:sc= 1.9 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0716) USER MOD Single : A 59 LYS NZ :NH3+ -177:sc= 0.933 (180deg=0.787) USER MOD Single : A 66 LYS NZ :NH3+ 168:sc= -0.0426 (180deg=-0.224) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= -2.36! USER MOD Single : A 73 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.474 X(o=-0.47,f=-0.063) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.447 14.337 4.428 1.00 41.14 N ATOM 2 CA MET A 1 -3.341 13.188 4.758 1.00 32.31 C ATOM 3 C MET A 1 -2.524 11.912 5.025 1.00 22.02 C ATOM 4 O MET A 1 -1.364 11.811 4.620 1.00 14.55 O ATOM 5 CB MET A 1 -4.320 12.944 3.601 1.00 62.43 C ATOM 6 CG MET A 1 -5.439 11.960 3.920 1.00 54.24 C ATOM 7 SD MET A 1 -6.411 11.536 2.463 1.00 75.34 S ATOM 8 CE MET A 1 -6.839 13.163 1.848 1.00 75.42 C ATOM 0 H1 MET A 1 -2.998 15.219 4.436 1.00 41.14 H new ATOM 0 H2 MET A 1 -1.686 14.398 5.134 1.00 41.14 H new ATOM 0 H3 MET A 1 -2.034 14.195 3.484 1.00 41.14 H new ATOM 0 HA MET A 1 -3.897 13.435 5.663 1.00 32.31 H new ATOM 0 HB2 MET A 1 -4.762 13.896 3.309 1.00 62.43 H new ATOM 0 HB3 MET A 1 -3.762 12.574 2.741 1.00 62.43 H new ATOM 0 HG2 MET A 1 -5.011 11.052 4.346 1.00 54.24 H new ATOM 0 HG3 MET A 1 -6.093 12.390 4.678 1.00 54.24 H new ATOM 0 HE1 MET A 1 -7.670 13.080 1.147 1.00 75.42 H new ATOM 0 HE2 MET A 1 -7.130 13.802 2.682 1.00 75.42 H new ATOM 0 HE3 MET A 1 -5.978 13.598 1.341 1.00 75.42 H new ATOM 20 N GLU A 2 -3.134 10.939 5.702 1.00 65.42 N ATOM 21 CA GLU A 2 -2.466 9.668 6.004 1.00 42.12 C ATOM 22 C GLU A 2 -3.327 8.479 5.540 1.00 11.33 C ATOM 23 O GLU A 2 -4.530 8.430 5.809 1.00 21.54 O ATOM 24 CB GLU A 2 -2.184 9.580 7.509 1.00 25.03 C ATOM 25 CG GLU A 2 -1.376 8.356 7.919 1.00 41.13 C ATOM 26 CD GLU A 2 -1.105 8.313 9.413 1.00 2.43 C ATOM 27 OE1 GLU A 2 -0.134 8.946 9.869 1.00 61.32 O ATOM 28 OE2 GLU A 2 -1.873 7.659 10.144 1.00 53.10 O ATOM 0 H GLU A 2 -4.090 11.004 6.053 1.00 65.42 H new ATOM 0 HA GLU A 2 -1.520 9.626 5.464 1.00 42.12 H new ATOM 0 HB2 GLU A 2 -1.648 10.477 7.821 1.00 25.03 H new ATOM 0 HB3 GLU A 2 -3.133 9.573 8.046 1.00 25.03 H new ATOM 0 HG2 GLU A 2 -1.913 7.454 7.624 1.00 41.13 H new ATOM 0 HG3 GLU A 2 -0.428 8.353 7.381 1.00 41.13 H new ATOM 35 N MET A 3 -2.706 7.526 4.846 1.00 20.33 N ATOM 36 CA MET A 3 -3.432 6.396 4.247 1.00 32.34 C ATOM 37 C MET A 3 -2.775 5.045 4.605 1.00 64.40 C ATOM 38 O MET A 3 -1.620 4.795 4.262 1.00 63.32 O ATOM 39 CB MET A 3 -3.489 6.594 2.723 1.00 21.41 C ATOM 40 CG MET A 3 -4.201 5.485 1.960 1.00 73.22 C ATOM 41 SD MET A 3 -4.365 5.869 0.204 1.00 51.03 S ATOM 42 CE MET A 3 -5.394 4.512 -0.355 1.00 52.24 C ATOM 0 H MET A 3 -1.699 7.510 4.682 1.00 20.33 H new ATOM 0 HA MET A 3 -4.444 6.370 4.651 1.00 32.34 H new ATOM 0 HB2 MET A 3 -3.989 7.539 2.512 1.00 21.41 H new ATOM 0 HB3 MET A 3 -2.471 6.680 2.344 1.00 21.41 H new ATOM 0 HG2 MET A 3 -3.649 4.552 2.077 1.00 73.22 H new ATOM 0 HG3 MET A 3 -5.190 5.326 2.390 1.00 73.22 H new ATOM 0 HE1 MET A 3 -4.945 4.053 -1.236 1.00 52.24 H new ATOM 0 HE2 MET A 3 -5.478 3.769 0.438 1.00 52.24 H new ATOM 0 HE3 MET A 3 -6.386 4.887 -0.607 1.00 52.24 H new ATOM 52 N ASP A 4 -3.523 4.187 5.306 1.00 32.10 N ATOM 53 CA ASP A 4 -3.029 2.871 5.745 1.00 24.42 C ATOM 54 C ASP A 4 -3.483 1.763 4.772 1.00 15.53 C ATOM 55 O ASP A 4 -4.676 1.497 4.642 1.00 11.12 O ATOM 56 CB ASP A 4 -3.551 2.589 7.164 1.00 51.22 C ATOM 57 CG ASP A 4 -2.899 1.380 7.824 1.00 13.35 C ATOM 58 OD1 ASP A 4 -3.315 0.237 7.537 1.00 10.12 O ATOM 59 OD2 ASP A 4 -1.996 1.575 8.671 1.00 51.30 O ATOM 0 H ASP A 4 -4.485 4.381 5.586 1.00 32.10 H new ATOM 0 HA ASP A 4 -1.939 2.880 5.752 1.00 24.42 H new ATOM 0 HB2 ASP A 4 -3.381 3.468 7.786 1.00 51.22 H new ATOM 0 HB3 ASP A 4 -4.629 2.432 7.121 1.00 51.22 H new ATOM 64 N ILE A 5 -2.527 1.133 4.085 1.00 65.54 N ATOM 65 CA ILE A 5 -2.829 0.097 3.081 1.00 64.44 C ATOM 66 C ILE A 5 -2.147 -1.240 3.428 1.00 30.41 C ATOM 67 O ILE A 5 -0.922 -1.345 3.391 1.00 31.54 O ATOM 68 CB ILE A 5 -2.360 0.545 1.668 1.00 1.51 C ATOM 69 CG1 ILE A 5 -2.992 1.894 1.287 1.00 34.21 C ATOM 70 CG2 ILE A 5 -2.694 -0.519 0.623 1.00 62.23 C ATOM 71 CD1 ILE A 5 -2.530 2.432 -0.054 1.00 52.31 C ATOM 0 H ILE A 5 -1.531 1.320 4.203 1.00 65.54 H new ATOM 0 HA ILE A 5 -3.910 -0.043 3.084 1.00 64.44 H new ATOM 0 HB ILE A 5 -1.277 0.669 1.694 1.00 1.51 H new ATOM 0 HG12 ILE A 5 -4.076 1.784 1.269 1.00 34.21 H new ATOM 0 HG13 ILE A 5 -2.758 2.625 2.061 1.00 34.21 H new ATOM 0 HG21 ILE A 5 -2.357 -0.184 -0.358 1.00 62.23 H new ATOM 0 HG22 ILE A 5 -2.192 -1.452 0.880 1.00 62.23 H new ATOM 0 HG23 ILE A 5 -3.772 -0.681 0.600 1.00 62.23 H new ATOM 0 HD11 ILE A 5 -3.020 3.386 -0.252 1.00 52.31 H new ATOM 0 HD12 ILE A 5 -1.450 2.576 -0.036 1.00 52.31 H new ATOM 0 HD13 ILE A 5 -2.788 1.722 -0.839 1.00 52.31 H new ATOM 83 N ARG A 6 -2.934 -2.268 3.749 1.00 13.24 N ATOM 84 CA ARG A 6 -2.366 -3.570 4.133 1.00 11.01 C ATOM 85 C ARG A 6 -2.544 -4.631 3.028 1.00 40.30 C ATOM 86 O ARG A 6 -3.603 -4.731 2.405 1.00 44.53 O ATOM 87 CB ARG A 6 -3.000 -4.071 5.442 1.00 4.33 C ATOM 88 CG ARG A 6 -4.366 -4.724 5.266 1.00 73.31 C ATOM 89 CD ARG A 6 -4.990 -5.128 6.596 1.00 1.53 C ATOM 90 NE ARG A 6 -4.052 -5.822 7.479 1.00 13.13 N ATOM 91 CZ ARG A 6 -3.750 -7.093 7.401 1.00 43.11 C ATOM 92 NH1 ARG A 6 -4.232 -7.840 6.458 1.00 0.13 N ATOM 93 NH2 ARG A 6 -2.959 -7.621 8.276 1.00 2.01 N ATOM 0 H ARG A 6 -3.953 -2.231 3.752 1.00 13.24 H new ATOM 0 HA ARG A 6 -1.297 -3.419 4.281 1.00 11.01 H new ATOM 0 HB2 ARG A 6 -2.325 -4.788 5.908 1.00 4.33 H new ATOM 0 HB3 ARG A 6 -3.097 -3.231 6.130 1.00 4.33 H new ATOM 0 HG2 ARG A 6 -5.033 -4.033 4.750 1.00 73.31 H new ATOM 0 HG3 ARG A 6 -4.266 -5.605 4.632 1.00 73.31 H new ATOM 0 HD2 ARG A 6 -5.365 -4.238 7.101 1.00 1.53 H new ATOM 0 HD3 ARG A 6 -5.848 -5.773 6.408 1.00 1.53 H new ATOM 0 HE ARG A 6 -3.599 -5.274 8.210 1.00 13.13 H new ATOM 0 HH11 ARG A 6 -4.858 -7.439 5.760 1.00 0.13 H new ATOM 0 HH12 ARG A 6 -3.985 -8.829 6.414 1.00 0.13 H new ATOM 0 HH21 ARG A 6 -2.572 -7.047 9.025 1.00 2.01 H new ATOM 0 HH22 ARG A 6 -2.722 -8.611 8.217 1.00 2.01 H new ATOM 107 N PHE A 7 -1.495 -5.422 2.802 1.00 51.34 N ATOM 108 CA PHE A 7 -1.530 -6.532 1.841 1.00 12.31 C ATOM 109 C PHE A 7 -1.445 -7.890 2.563 1.00 15.22 C ATOM 110 O PHE A 7 -0.722 -8.037 3.549 1.00 20.24 O ATOM 111 CB PHE A 7 -0.368 -6.413 0.843 1.00 53.34 C ATOM 112 CG PHE A 7 -0.412 -5.175 -0.018 1.00 21.41 C ATOM 113 CD1 PHE A 7 -1.137 -5.164 -1.201 1.00 11.35 C ATOM 114 CD2 PHE A 7 0.279 -4.028 0.350 1.00 11.03 C ATOM 115 CE1 PHE A 7 -1.170 -4.037 -2.000 1.00 71.13 C ATOM 116 CE2 PHE A 7 0.247 -2.898 -0.443 1.00 0.03 C ATOM 117 CZ PHE A 7 -0.479 -2.902 -1.620 1.00 70.23 C ATOM 0 H PHE A 7 -0.599 -5.315 3.277 1.00 51.34 H new ATOM 0 HA PHE A 7 -2.477 -6.477 1.304 1.00 12.31 H new ATOM 0 HB2 PHE A 7 0.572 -6.424 1.395 1.00 53.34 H new ATOM 0 HB3 PHE A 7 -0.368 -7.291 0.197 1.00 53.34 H new ATOM 0 HD1 PHE A 7 -1.682 -6.047 -1.501 1.00 11.35 H new ATOM 0 HD2 PHE A 7 0.848 -4.020 1.268 1.00 11.03 H new ATOM 0 HE1 PHE A 7 -1.735 -4.043 -2.920 1.00 71.13 H new ATOM 0 HE2 PHE A 7 0.788 -2.012 -0.144 1.00 0.03 H new ATOM 0 HZ PHE A 7 -0.506 -2.019 -2.242 1.00 70.23 H new ATOM 127 N ARG A 8 -2.184 -8.878 2.063 1.00 52.21 N ATOM 128 CA ARG A 8 -2.183 -10.230 2.645 1.00 0.43 C ATOM 129 C ARG A 8 -2.270 -11.297 1.542 1.00 21.21 C ATOM 130 O ARG A 8 -3.102 -11.191 0.642 1.00 1.55 O ATOM 131 CB ARG A 8 -3.368 -10.373 3.612 1.00 15.45 C ATOM 132 CG ARG A 8 -3.441 -11.715 4.342 1.00 34.40 C ATOM 133 CD ARG A 8 -4.598 -11.739 5.336 1.00 74.34 C ATOM 134 NE ARG A 8 -4.748 -13.032 6.004 1.00 63.41 N ATOM 135 CZ ARG A 8 -4.634 -13.205 7.296 1.00 3.24 C ATOM 136 NH1 ARG A 8 -4.168 -12.263 8.045 1.00 65.12 N ATOM 137 NH2 ARG A 8 -4.933 -14.340 7.833 1.00 63.53 N ATOM 0 H ARG A 8 -2.795 -8.773 1.253 1.00 52.21 H new ATOM 0 HA ARG A 8 -1.250 -10.378 3.189 1.00 0.43 H new ATOM 0 HB2 ARG A 8 -3.313 -9.575 4.352 1.00 15.45 H new ATOM 0 HB3 ARG A 8 -4.293 -10.228 3.055 1.00 15.45 H new ATOM 0 HG2 ARG A 8 -3.564 -12.520 3.617 1.00 34.40 H new ATOM 0 HG3 ARG A 8 -2.503 -11.898 4.867 1.00 34.40 H new ATOM 0 HD2 ARG A 8 -4.442 -10.964 6.086 1.00 74.34 H new ATOM 0 HD3 ARG A 8 -5.524 -11.496 4.814 1.00 74.34 H new ATOM 0 HE ARG A 8 -4.954 -13.848 5.428 1.00 63.41 H new ATOM 0 HH11 ARG A 8 -3.885 -11.375 7.631 1.00 65.12 H new ATOM 0 HH12 ARG A 8 -4.083 -12.407 9.051 1.00 65.12 H new ATOM 0 HH21 ARG A 8 -5.261 -15.110 7.249 1.00 63.53 H new ATOM 0 HH22 ARG A 8 -4.842 -14.467 8.841 1.00 63.53 H new ATOM 151 N GLY A 9 -1.416 -12.318 1.606 1.00 3.43 N ATOM 152 CA GLY A 9 -1.454 -13.380 0.601 1.00 71.51 C ATOM 153 C GLY A 9 -0.421 -14.483 0.825 1.00 75.31 C ATOM 154 O GLY A 9 0.155 -14.598 1.906 1.00 23.53 O ATOM 0 H GLY A 9 -0.703 -12.432 2.327 1.00 3.43 H new ATOM 0 HA2 GLY A 9 -2.449 -13.824 0.594 1.00 71.51 H new ATOM 0 HA3 GLY A 9 -1.294 -12.941 -0.384 1.00 71.51 H new ATOM 158 N ASP A 10 -0.205 -15.307 -0.203 1.00 44.41 N ATOM 159 CA ASP A 10 0.761 -16.415 -0.144 1.00 73.40 C ATOM 160 C ASP A 10 1.967 -16.177 -1.077 1.00 74.12 C ATOM 161 O ASP A 10 3.027 -16.787 -0.909 1.00 21.32 O ATOM 162 CB ASP A 10 0.051 -17.728 -0.513 1.00 62.12 C ATOM 163 CG ASP A 10 0.992 -18.923 -0.545 1.00 21.14 C ATOM 164 OD1 ASP A 10 1.493 -19.322 0.527 1.00 42.24 O ATOM 165 OD2 ASP A 10 1.237 -19.465 -1.646 1.00 73.23 O ATOM 0 H ASP A 10 -0.690 -15.229 -1.097 1.00 44.41 H new ATOM 0 HA ASP A 10 1.148 -16.476 0.873 1.00 73.40 H new ATOM 0 HB2 ASP A 10 -0.745 -17.919 0.206 1.00 62.12 H new ATOM 0 HB3 ASP A 10 -0.421 -17.618 -1.489 1.00 62.12 H new ATOM 170 N ASP A 11 1.795 -15.294 -2.059 1.00 24.11 N ATOM 171 CA ASP A 11 2.845 -15.000 -3.043 1.00 43.12 C ATOM 172 C ASP A 11 4.088 -14.357 -2.399 1.00 4.23 C ATOM 173 O ASP A 11 4.022 -13.261 -1.840 1.00 24.41 O ATOM 174 CB ASP A 11 2.289 -14.085 -4.133 1.00 75.22 C ATOM 175 CG ASP A 11 1.136 -14.727 -4.880 1.00 63.31 C ATOM 176 OD1 ASP A 11 0.034 -14.827 -4.306 1.00 31.52 O ATOM 177 OD2 ASP A 11 1.327 -15.144 -6.040 1.00 61.22 O ATOM 0 H ASP A 11 0.934 -14.765 -2.198 1.00 24.11 H new ATOM 0 HA ASP A 11 3.161 -15.948 -3.478 1.00 43.12 H new ATOM 0 HB2 ASP A 11 1.955 -13.149 -3.685 1.00 75.22 H new ATOM 0 HB3 ASP A 11 3.083 -13.836 -4.837 1.00 75.22 H new ATOM 182 N LEU A 12 5.223 -15.046 -2.506 1.00 53.42 N ATOM 183 CA LEU A 12 6.487 -14.585 -1.916 1.00 25.13 C ATOM 184 C LEU A 12 6.955 -13.245 -2.509 1.00 50.44 C ATOM 185 O LEU A 12 7.093 -12.251 -1.792 1.00 41.04 O ATOM 186 CB LEU A 12 7.573 -15.650 -2.125 1.00 55.15 C ATOM 187 CG LEU A 12 8.972 -15.279 -1.599 1.00 50.14 C ATOM 188 CD1 LEU A 12 8.963 -15.110 -0.081 1.00 12.25 C ATOM 189 CD2 LEU A 12 10.001 -16.324 -2.027 1.00 51.30 C ATOM 0 H LEU A 12 5.297 -15.935 -3.000 1.00 53.42 H new ATOM 0 HA LEU A 12 6.313 -14.428 -0.852 1.00 25.13 H new ATOM 0 HB2 LEU A 12 7.253 -16.571 -1.638 1.00 55.15 H new ATOM 0 HB3 LEU A 12 7.649 -15.863 -3.191 1.00 55.15 H new ATOM 0 HG LEU A 12 9.255 -14.322 -2.037 1.00 50.14 H new ATOM 0 HD11 LEU A 12 9.964 -14.848 0.262 1.00 12.25 H new ATOM 0 HD12 LEU A 12 8.267 -14.317 0.193 1.00 12.25 H new ATOM 0 HD13 LEU A 12 8.652 -16.044 0.387 1.00 12.25 H new ATOM 0 HD21 LEU A 12 10.983 -16.045 -1.646 1.00 51.30 H new ATOM 0 HD22 LEU A 12 9.720 -17.298 -1.626 1.00 51.30 H new ATOM 0 HD23 LEU A 12 10.035 -16.376 -3.115 1.00 51.30 H new ATOM 201 N GLU A 13 7.203 -13.223 -3.819 1.00 21.34 N ATOM 202 CA GLU A 13 7.726 -12.027 -4.490 1.00 42.31 C ATOM 203 C GLU A 13 6.774 -10.825 -4.354 1.00 11.25 C ATOM 204 O GLU A 13 7.210 -9.671 -4.379 1.00 34.30 O ATOM 205 CB GLU A 13 8.006 -12.313 -5.973 1.00 23.13 C ATOM 206 CG GLU A 13 8.716 -11.163 -6.684 1.00 64.14 C ATOM 207 CD GLU A 13 8.986 -11.437 -8.153 1.00 70.05 C ATOM 208 OE1 GLU A 13 8.038 -11.350 -8.962 1.00 33.12 O ATOM 209 OE2 GLU A 13 10.149 -11.720 -8.510 1.00 63.34 O ATOM 0 H GLU A 13 7.051 -14.019 -4.439 1.00 21.34 H new ATOM 0 HA GLU A 13 8.661 -11.767 -3.994 1.00 42.31 H new ATOM 0 HB2 GLU A 13 8.615 -13.213 -6.054 1.00 23.13 H new ATOM 0 HB3 GLU A 13 7.064 -12.519 -6.481 1.00 23.13 H new ATOM 0 HG2 GLU A 13 8.110 -10.261 -6.596 1.00 64.14 H new ATOM 0 HG3 GLU A 13 9.661 -10.962 -6.180 1.00 64.14 H new ATOM 216 N ALA A 14 5.476 -11.094 -4.188 1.00 10.31 N ATOM 217 CA ALA A 14 4.476 -10.023 -4.041 1.00 23.14 C ATOM 218 C ALA A 14 4.862 -9.047 -2.917 1.00 24.01 C ATOM 219 O ALA A 14 4.519 -7.864 -2.966 1.00 44.03 O ATOM 220 CB ALA A 14 3.098 -10.621 -3.775 1.00 2.43 C ATOM 0 H ALA A 14 5.091 -12.038 -4.152 1.00 10.31 H new ATOM 0 HA ALA A 14 4.445 -9.461 -4.975 1.00 23.14 H new ATOM 0 HB1 ALA A 14 2.368 -9.819 -3.668 1.00 2.43 H new ATOM 0 HB2 ALA A 14 2.813 -11.263 -4.609 1.00 2.43 H new ATOM 0 HB3 ALA A 14 3.128 -11.209 -2.858 1.00 2.43 H new ATOM 226 N PHE A 15 5.588 -9.552 -1.918 1.00 14.02 N ATOM 227 CA PHE A 15 6.136 -8.715 -0.845 1.00 15.12 C ATOM 228 C PHE A 15 7.022 -7.591 -1.409 1.00 22.22 C ATOM 229 O PHE A 15 6.735 -6.406 -1.225 1.00 23.52 O ATOM 230 CB PHE A 15 6.944 -9.585 0.138 1.00 40.44 C ATOM 231 CG PHE A 15 7.846 -8.797 1.066 1.00 65.05 C ATOM 232 CD1 PHE A 15 7.320 -8.069 2.123 1.00 53.34 C ATOM 233 CD2 PHE A 15 9.223 -8.778 0.868 1.00 13.31 C ATOM 234 CE1 PHE A 15 8.146 -7.343 2.963 1.00 53.34 C ATOM 235 CE2 PHE A 15 10.049 -8.054 1.706 1.00 15.11 C ATOM 236 CZ PHE A 15 9.510 -7.335 2.753 1.00 34.00 C ATOM 0 H PHE A 15 5.812 -10.543 -1.828 1.00 14.02 H new ATOM 0 HA PHE A 15 5.303 -8.251 -0.317 1.00 15.12 H new ATOM 0 HB2 PHE A 15 6.251 -10.175 0.737 1.00 40.44 H new ATOM 0 HB3 PHE A 15 7.552 -10.288 -0.431 1.00 40.44 H new ATOM 0 HD1 PHE A 15 6.253 -8.069 2.292 1.00 53.34 H new ATOM 0 HD2 PHE A 15 9.652 -9.336 0.049 1.00 13.31 H new ATOM 0 HE1 PHE A 15 7.723 -6.782 3.783 1.00 53.34 H new ATOM 0 HE2 PHE A 15 11.116 -8.051 1.542 1.00 15.11 H new ATOM 0 HZ PHE A 15 10.155 -6.767 3.407 1.00 34.00 H new ATOM 246 N GLU A 16 8.090 -7.971 -2.114 1.00 64.23 N ATOM 247 CA GLU A 16 9.052 -6.999 -2.640 1.00 42.34 C ATOM 248 C GLU A 16 8.457 -6.182 -3.798 1.00 55.20 C ATOM 249 O GLU A 16 8.847 -5.040 -4.026 1.00 24.34 O ATOM 250 CB GLU A 16 10.344 -7.700 -3.092 1.00 33.44 C ATOM 251 CG GLU A 16 10.158 -8.677 -4.248 1.00 44.42 C ATOM 252 CD GLU A 16 11.465 -9.326 -4.684 1.00 51.35 C ATOM 253 OE1 GLU A 16 12.271 -8.652 -5.358 1.00 5.23 O ATOM 254 OE2 GLU A 16 11.693 -10.509 -4.352 1.00 44.41 O ATOM 0 H GLU A 16 8.310 -8.942 -2.334 1.00 64.23 H new ATOM 0 HA GLU A 16 9.291 -6.308 -1.831 1.00 42.34 H new ATOM 0 HB2 GLU A 16 11.071 -6.942 -3.386 1.00 33.44 H new ATOM 0 HB3 GLU A 16 10.768 -8.236 -2.243 1.00 33.44 H new ATOM 0 HG2 GLU A 16 9.452 -9.453 -3.952 1.00 44.42 H new ATOM 0 HG3 GLU A 16 9.717 -8.152 -5.095 1.00 44.42 H new ATOM 261 N LYS A 17 7.514 -6.773 -4.533 1.00 72.02 N ATOM 262 CA LYS A 17 6.845 -6.069 -5.636 1.00 54.20 C ATOM 263 C LYS A 17 5.964 -4.928 -5.109 1.00 42.32 C ATOM 264 O LYS A 17 6.123 -3.772 -5.505 1.00 31.15 O ATOM 265 CB LYS A 17 5.990 -7.047 -6.456 1.00 52.44 C ATOM 266 CG LYS A 17 6.777 -8.203 -7.070 1.00 65.32 C ATOM 267 CD LYS A 17 7.769 -7.742 -8.140 1.00 74.23 C ATOM 268 CE LYS A 17 7.067 -7.163 -9.364 1.00 42.30 C ATOM 269 NZ LYS A 17 8.021 -6.890 -10.473 1.00 61.21 N ATOM 0 H LYS A 17 7.195 -7.731 -4.389 1.00 72.02 H new ATOM 0 HA LYS A 17 7.617 -5.643 -6.277 1.00 54.20 H new ATOM 0 HB2 LYS A 17 5.208 -7.454 -5.815 1.00 52.44 H new ATOM 0 HB3 LYS A 17 5.493 -6.496 -7.254 1.00 52.44 H new ATOM 0 HG2 LYS A 17 7.317 -8.728 -6.282 1.00 65.32 H new ATOM 0 HG3 LYS A 17 6.081 -8.917 -7.510 1.00 65.32 H new ATOM 0 HD2 LYS A 17 8.435 -6.991 -7.716 1.00 74.23 H new ATOM 0 HD3 LYS A 17 8.391 -8.584 -8.444 1.00 74.23 H new ATOM 0 HE2 LYS A 17 6.301 -7.859 -9.707 1.00 42.30 H new ATOM 0 HE3 LYS A 17 6.558 -6.240 -9.088 1.00 42.30 H new ATOM 0 HZ1 LYS A 17 7.505 -6.497 -11.286 1.00 61.21 H new ATOM 0 HZ2 LYS A 17 8.737 -6.206 -10.155 1.00 61.21 H new ATOM 0 HZ3 LYS A 17 8.489 -7.775 -10.754 1.00 61.21 H new ATOM 283 N ALA A 18 5.051 -5.261 -4.196 1.00 4.34 N ATOM 284 CA ALA A 18 4.133 -4.275 -3.621 1.00 62.21 C ATOM 285 C ALA A 18 4.886 -3.219 -2.801 1.00 32.42 C ATOM 286 O ALA A 18 4.715 -2.019 -3.013 1.00 33.34 O ATOM 287 CB ALA A 18 3.084 -4.970 -2.758 1.00 73.15 C ATOM 0 H ALA A 18 4.927 -6.208 -3.838 1.00 4.34 H new ATOM 0 HA ALA A 18 3.633 -3.763 -4.443 1.00 62.21 H new ATOM 0 HB1 ALA A 18 2.408 -4.226 -2.337 1.00 73.15 H new ATOM 0 HB2 ALA A 18 2.516 -5.671 -3.370 1.00 73.15 H new ATOM 0 HB3 ALA A 18 3.577 -5.510 -1.950 1.00 73.15 H new ATOM 293 N LEU A 19 5.730 -3.675 -1.875 1.00 15.13 N ATOM 294 CA LEU A 19 6.506 -2.771 -1.015 1.00 74.51 C ATOM 295 C LEU A 19 7.312 -1.753 -1.843 1.00 54.50 C ATOM 296 O LEU A 19 7.275 -0.549 -1.577 1.00 52.52 O ATOM 297 CB LEU A 19 7.452 -3.589 -0.122 1.00 32.54 C ATOM 298 CG LEU A 19 8.301 -2.773 0.867 1.00 42.02 C ATOM 299 CD1 LEU A 19 7.413 -2.026 1.856 1.00 2.15 C ATOM 300 CD2 LEU A 19 9.289 -3.678 1.603 1.00 61.45 C ATOM 0 H LEU A 19 5.896 -4.666 -1.699 1.00 15.13 H new ATOM 0 HA LEU A 19 5.805 -2.213 -0.394 1.00 74.51 H new ATOM 0 HB2 LEU A 19 6.859 -4.308 0.443 1.00 32.54 H new ATOM 0 HB3 LEU A 19 8.122 -4.162 -0.762 1.00 32.54 H new ATOM 0 HG LEU A 19 8.870 -2.036 0.300 1.00 42.02 H new ATOM 0 HD11 LEU A 19 8.036 -1.456 2.545 1.00 2.15 H new ATOM 0 HD12 LEU A 19 6.756 -1.346 1.314 1.00 2.15 H new ATOM 0 HD13 LEU A 19 6.811 -2.741 2.417 1.00 2.15 H new ATOM 0 HD21 LEU A 19 9.880 -3.082 2.298 1.00 61.45 H new ATOM 0 HD22 LEU A 19 8.741 -4.442 2.155 1.00 61.45 H new ATOM 0 HD23 LEU A 19 9.951 -4.157 0.881 1.00 61.45 H new ATOM 312 N LYS A 20 8.023 -2.245 -2.854 1.00 42.41 N ATOM 313 CA LYS A 20 8.859 -1.390 -3.706 1.00 21.13 C ATOM 314 C LYS A 20 8.026 -0.319 -4.435 1.00 41.44 C ATOM 315 O LYS A 20 8.404 0.852 -4.461 1.00 22.43 O ATOM 316 CB LYS A 20 9.626 -2.250 -4.721 1.00 63.55 C ATOM 317 CG LYS A 20 10.627 -1.479 -5.578 1.00 34.54 C ATOM 318 CD LYS A 20 11.717 -0.810 -4.741 1.00 54.10 C ATOM 319 CE LYS A 20 12.813 -0.203 -5.614 1.00 52.21 C ATOM 320 NZ LYS A 20 12.282 0.794 -6.583 1.00 14.54 N ATOM 0 H LYS A 20 8.040 -3.233 -3.107 1.00 42.41 H new ATOM 0 HA LYS A 20 9.569 -0.871 -3.062 1.00 21.13 H new ATOM 0 HB2 LYS A 20 10.157 -3.036 -4.184 1.00 63.55 H new ATOM 0 HB3 LYS A 20 8.908 -2.741 -5.378 1.00 63.55 H new ATOM 0 HG2 LYS A 20 11.088 -2.159 -6.294 1.00 34.54 H new ATOM 0 HG3 LYS A 20 10.099 -0.720 -6.155 1.00 34.54 H new ATOM 0 HD2 LYS A 20 11.272 -0.031 -4.122 1.00 54.10 H new ATOM 0 HD3 LYS A 20 12.156 -1.543 -4.064 1.00 54.10 H new ATOM 0 HE2 LYS A 20 13.558 0.275 -4.977 1.00 52.21 H new ATOM 0 HE3 LYS A 20 13.322 -0.999 -6.158 1.00 52.21 H new ATOM 0 HZ1 LYS A 20 13.072 1.238 -7.093 1.00 14.54 H new ATOM 0 HZ2 LYS A 20 11.656 0.318 -7.263 1.00 14.54 H new ATOM 0 HZ3 LYS A 20 11.746 1.524 -6.071 1.00 14.54 H new ATOM 334 N GLU A 21 6.894 -0.724 -5.017 1.00 21.20 N ATOM 335 CA GLU A 21 6.010 0.211 -5.732 1.00 22.13 C ATOM 336 C GLU A 21 5.413 1.270 -4.789 1.00 72.34 C ATOM 337 O GLU A 21 5.393 2.460 -5.112 1.00 21.24 O ATOM 338 CB GLU A 21 4.884 -0.551 -6.452 1.00 61.10 C ATOM 339 CG GLU A 21 5.367 -1.434 -7.602 1.00 35.05 C ATOM 340 CD GLU A 21 6.013 -0.642 -8.733 1.00 43.11 C ATOM 341 OE1 GLU A 21 5.292 -0.200 -9.654 1.00 14.24 O ATOM 342 OE2 GLU A 21 7.250 -0.464 -8.715 1.00 32.32 O ATOM 0 H GLU A 21 6.565 -1.690 -5.009 1.00 21.20 H new ATOM 0 HA GLU A 21 6.619 0.730 -6.472 1.00 22.13 H new ATOM 0 HB2 GLU A 21 4.358 -1.172 -5.727 1.00 61.10 H new ATOM 0 HB3 GLU A 21 4.162 0.168 -6.838 1.00 61.10 H new ATOM 0 HG2 GLU A 21 6.084 -2.160 -7.219 1.00 35.05 H new ATOM 0 HG3 GLU A 21 4.523 -1.999 -7.998 1.00 35.05 H new ATOM 349 N MET A 22 4.938 0.836 -3.620 1.00 40.11 N ATOM 350 CA MET A 22 4.364 1.757 -2.625 1.00 31.33 C ATOM 351 C MET A 22 5.366 2.858 -2.238 1.00 51.11 C ATOM 352 O MET A 22 5.059 4.052 -2.312 1.00 24.45 O ATOM 353 CB MET A 22 3.922 0.984 -1.374 1.00 10.45 C ATOM 354 CG MET A 22 2.828 -0.040 -1.644 1.00 23.12 C ATOM 355 SD MET A 22 1.336 0.702 -2.333 1.00 63.35 S ATOM 356 CE MET A 22 0.837 1.777 -0.989 1.00 4.43 C ATOM 0 H MET A 22 4.937 -0.143 -3.335 1.00 40.11 H new ATOM 0 HA MET A 22 3.494 2.234 -3.076 1.00 31.33 H new ATOM 0 HB2 MET A 22 4.787 0.475 -0.947 1.00 10.45 H new ATOM 0 HB3 MET A 22 3.568 1.693 -0.626 1.00 10.45 H new ATOM 0 HG2 MET A 22 3.205 -0.795 -2.333 1.00 23.12 H new ATOM 0 HG3 MET A 22 2.578 -0.553 -0.715 1.00 23.12 H new ATOM 0 HE1 MET A 22 0.460 2.716 -1.395 1.00 4.43 H new ATOM 0 HE2 MET A 22 0.053 1.292 -0.407 1.00 4.43 H new ATOM 0 HE3 MET A 22 1.694 1.978 -0.346 1.00 4.43 H new ATOM 366 N ILE A 23 6.569 2.448 -1.835 1.00 33.52 N ATOM 367 CA ILE A 23 7.644 3.397 -1.511 1.00 53.53 C ATOM 368 C ILE A 23 8.016 4.243 -2.742 1.00 53.34 C ATOM 369 O ILE A 23 8.225 5.455 -2.646 1.00 35.13 O ATOM 370 CB ILE A 23 8.905 2.657 -0.987 1.00 62.32 C ATOM 371 CG1 ILE A 23 8.545 1.794 0.235 1.00 21.45 C ATOM 372 CG2 ILE A 23 10.011 3.652 -0.633 1.00 24.34 C ATOM 373 CD1 ILE A 23 9.708 0.998 0.794 1.00 4.41 C ATOM 0 H ILE A 23 6.827 1.467 -1.724 1.00 33.52 H new ATOM 0 HA ILE A 23 7.273 4.056 -0.726 1.00 53.53 H new ATOM 0 HB ILE A 23 9.276 2.006 -1.778 1.00 62.32 H new ATOM 0 HG12 ILE A 23 8.150 2.440 1.019 1.00 21.45 H new ATOM 0 HG13 ILE A 23 7.747 1.105 -0.042 1.00 21.45 H new ATOM 0 HG21 ILE A 23 10.884 3.111 -0.268 1.00 24.34 H new ATOM 0 HG22 ILE A 23 10.283 4.224 -1.520 1.00 24.34 H new ATOM 0 HG23 ILE A 23 9.655 4.331 0.142 1.00 24.34 H new ATOM 0 HD11 ILE A 23 9.372 0.417 1.653 1.00 4.41 H new ATOM 0 HD12 ILE A 23 10.090 0.324 0.027 1.00 4.41 H new ATOM 0 HD13 ILE A 23 10.500 1.680 1.105 1.00 4.41 H new ATOM 385 N ARG A 24 8.068 3.584 -3.899 1.00 50.13 N ATOM 386 CA ARG A 24 8.368 4.231 -5.185 1.00 64.24 C ATOM 387 C ARG A 24 7.424 5.417 -5.469 1.00 64.12 C ATOM 388 O ARG A 24 7.836 6.427 -6.036 1.00 30.41 O ATOM 389 CB ARG A 24 8.253 3.180 -6.301 1.00 54.12 C ATOM 390 CG ARG A 24 8.458 3.697 -7.720 1.00 41.33 C ATOM 391 CD ARG A 24 8.286 2.568 -8.735 1.00 64.33 C ATOM 392 NE ARG A 24 8.438 3.021 -10.113 1.00 35.41 N ATOM 393 CZ ARG A 24 7.967 2.376 -11.150 1.00 2.34 C ATOM 394 NH1 ARG A 24 7.337 1.251 -11.001 1.00 34.42 N ATOM 395 NH2 ARG A 24 8.147 2.854 -12.337 1.00 1.01 N ATOM 0 H ARG A 24 7.903 2.580 -3.976 1.00 50.13 H new ATOM 0 HA ARG A 24 9.380 4.634 -5.145 1.00 64.24 H new ATOM 0 HB2 ARG A 24 8.984 2.394 -6.111 1.00 54.12 H new ATOM 0 HB3 ARG A 24 7.267 2.719 -6.241 1.00 54.12 H new ATOM 0 HG2 ARG A 24 7.744 4.493 -7.929 1.00 41.33 H new ATOM 0 HG3 ARG A 24 9.454 4.130 -7.815 1.00 41.33 H new ATOM 0 HD2 ARG A 24 9.018 1.787 -8.531 1.00 64.33 H new ATOM 0 HD3 ARG A 24 7.300 2.121 -8.611 1.00 64.33 H new ATOM 0 HE ARG A 24 8.941 3.893 -10.278 1.00 35.41 H new ATOM 0 HH11 ARG A 24 7.204 0.860 -10.068 1.00 34.42 H new ATOM 0 HH12 ARG A 24 6.974 0.758 -11.817 1.00 34.42 H new ATOM 0 HH21 ARG A 24 8.654 3.730 -12.463 1.00 1.01 H new ATOM 0 HH22 ARG A 24 7.782 2.355 -13.148 1.00 1.01 H new ATOM 409 N GLN A 25 6.156 5.283 -5.075 1.00 11.20 N ATOM 410 CA GLN A 25 5.165 6.351 -5.269 1.00 53.42 C ATOM 411 C GLN A 25 5.380 7.513 -4.280 1.00 53.43 C ATOM 412 O GLN A 25 5.528 8.668 -4.681 1.00 11.45 O ATOM 413 CB GLN A 25 3.736 5.798 -5.101 1.00 35.31 C ATOM 414 CG GLN A 25 3.382 4.658 -6.052 1.00 75.13 C ATOM 415 CD GLN A 25 3.532 5.031 -7.517 1.00 12.24 C ATOM 416 OE1 GLN A 25 2.606 5.540 -8.141 1.00 34.52 O ATOM 417 NE2 GLN A 25 4.697 4.776 -8.079 1.00 25.14 N ATOM 0 H GLN A 25 5.788 4.447 -4.620 1.00 11.20 H new ATOM 0 HA GLN A 25 5.295 6.731 -6.282 1.00 53.42 H new ATOM 0 HB2 GLN A 25 3.613 5.450 -4.075 1.00 35.31 H new ATOM 0 HB3 GLN A 25 3.026 6.611 -5.249 1.00 35.31 H new ATOM 0 HG2 GLN A 25 4.020 3.801 -5.835 1.00 75.13 H new ATOM 0 HG3 GLN A 25 2.354 4.345 -5.867 1.00 75.13 H new ATOM 0 HE21 GLN A 25 5.446 4.352 -7.531 1.00 25.14 H new ATOM 0 HE22 GLN A 25 4.850 5.003 -9.062 1.00 25.14 H new ATOM 426 N ALA A 26 5.418 7.185 -2.989 1.00 0.25 N ATOM 427 CA ALA A 26 5.434 8.196 -1.918 1.00 73.14 C ATOM 428 C ALA A 26 6.706 9.069 -1.907 1.00 71.11 C ATOM 429 O ALA A 26 6.644 10.248 -1.558 1.00 51.21 O ATOM 430 CB ALA A 26 5.263 7.516 -0.565 1.00 12.41 C ATOM 0 H ALA A 26 5.439 6.222 -2.652 1.00 0.25 H new ATOM 0 HA ALA A 26 4.601 8.870 -2.117 1.00 73.14 H new ATOM 0 HB1 ALA A 26 5.275 8.268 0.224 1.00 12.41 H new ATOM 0 HB2 ALA A 26 4.313 6.983 -0.543 1.00 12.41 H new ATOM 0 HB3 ALA A 26 6.079 6.810 -0.407 1.00 12.41 H new ATOM 436 N ARG A 27 7.848 8.496 -2.290 1.00 33.24 N ATOM 437 CA ARG A 27 9.143 9.202 -2.216 1.00 15.25 C ATOM 438 C ARG A 27 9.158 10.529 -3.001 1.00 43.51 C ATOM 439 O ARG A 27 9.919 11.440 -2.667 1.00 62.42 O ATOM 440 CB ARG A 27 10.292 8.292 -2.677 1.00 72.32 C ATOM 441 CG ARG A 27 10.631 7.192 -1.674 1.00 12.33 C ATOM 442 CD ARG A 27 11.840 6.363 -2.104 1.00 50.30 C ATOM 443 NE ARG A 27 13.041 7.178 -2.307 1.00 73.20 N ATOM 444 CZ ARG A 27 13.746 7.726 -1.349 1.00 21.43 C ATOM 445 NH1 ARG A 27 13.396 7.601 -0.104 1.00 50.32 N ATOM 446 NH2 ARG A 27 14.810 8.397 -1.641 1.00 40.44 N ATOM 0 H ARG A 27 7.910 7.546 -2.655 1.00 33.24 H new ATOM 0 HA ARG A 27 9.289 9.458 -1.167 1.00 15.25 H new ATOM 0 HB2 ARG A 27 10.025 7.835 -3.630 1.00 72.32 H new ATOM 0 HB3 ARG A 27 11.180 8.900 -2.853 1.00 72.32 H new ATOM 0 HG2 ARG A 27 10.829 7.640 -0.701 1.00 12.33 H new ATOM 0 HG3 ARG A 27 9.769 6.536 -1.553 1.00 12.33 H new ATOM 0 HD2 ARG A 27 12.044 5.605 -1.347 1.00 50.30 H new ATOM 0 HD3 ARG A 27 11.604 5.835 -3.028 1.00 50.30 H new ATOM 0 HE ARG A 27 13.351 7.330 -3.267 1.00 73.20 H new ATOM 0 HH11 ARG A 27 12.560 7.069 0.140 1.00 50.32 H new ATOM 0 HH12 ARG A 27 13.957 8.034 0.629 1.00 50.32 H new ATOM 0 HH21 ARG A 27 15.098 8.498 -2.614 1.00 40.44 H new ATOM 0 HH22 ARG A 27 15.362 8.826 -0.898 1.00 40.44 H new ATOM 460 N LYS A 28 8.343 10.632 -4.049 1.00 44.01 N ATOM 461 CA LYS A 28 8.251 11.876 -4.831 1.00 23.44 C ATOM 462 C LYS A 28 7.631 13.020 -4.009 1.00 52.33 C ATOM 463 O LYS A 28 7.895 14.195 -4.267 1.00 45.03 O ATOM 464 CB LYS A 28 7.424 11.670 -6.114 1.00 21.13 C ATOM 465 CG LYS A 28 8.125 10.868 -7.208 1.00 21.23 C ATOM 466 CD LYS A 28 8.284 9.396 -6.842 1.00 50.45 C ATOM 467 CE LYS A 28 8.908 8.596 -7.982 1.00 14.42 C ATOM 468 NZ LYS A 28 8.109 8.694 -9.235 1.00 34.40 N ATOM 0 H LYS A 28 7.739 9.879 -4.379 1.00 44.01 H new ATOM 0 HA LYS A 28 9.271 12.150 -5.101 1.00 23.44 H new ATOM 0 HB2 LYS A 28 6.494 11.165 -5.852 1.00 21.13 H new ATOM 0 HB3 LYS A 28 7.154 12.647 -6.516 1.00 21.13 H new ATOM 0 HG2 LYS A 28 7.557 10.949 -8.134 1.00 21.23 H new ATOM 0 HG3 LYS A 28 9.108 11.300 -7.398 1.00 21.23 H new ATOM 0 HD2 LYS A 28 8.907 9.307 -5.952 1.00 50.45 H new ATOM 0 HD3 LYS A 28 7.310 8.976 -6.593 1.00 50.45 H new ATOM 0 HE2 LYS A 28 9.919 8.958 -8.168 1.00 14.42 H new ATOM 0 HE3 LYS A 28 8.993 7.550 -7.687 1.00 14.42 H new ATOM 0 HZ1 LYS A 28 8.400 7.942 -9.892 1.00 34.40 H new ATOM 0 HZ2 LYS A 28 7.099 8.587 -9.012 1.00 34.40 H new ATOM 0 HZ3 LYS A 28 8.270 9.621 -9.678 1.00 34.40 H new ATOM 482 N PHE A 29 6.819 12.672 -3.017 1.00 50.24 N ATOM 483 CA PHE A 29 6.065 13.665 -2.239 1.00 11.12 C ATOM 484 C PHE A 29 6.630 13.825 -0.815 1.00 54.15 C ATOM 485 O PHE A 29 7.646 13.226 -0.465 1.00 3.02 O ATOM 486 CB PHE A 29 4.590 13.245 -2.184 1.00 62.35 C ATOM 487 CG PHE A 29 4.021 12.918 -3.545 1.00 70.22 C ATOM 488 CD1 PHE A 29 3.638 13.928 -4.416 1.00 33.33 C ATOM 489 CD2 PHE A 29 3.885 11.598 -3.957 1.00 2.02 C ATOM 490 CE1 PHE A 29 3.132 13.628 -5.668 1.00 10.13 C ATOM 491 CE2 PHE A 29 3.378 11.295 -5.206 1.00 32.54 C ATOM 492 CZ PHE A 29 3.002 12.310 -6.062 1.00 11.23 C ATOM 0 H PHE A 29 6.661 11.707 -2.727 1.00 50.24 H new ATOM 0 HA PHE A 29 6.158 14.633 -2.732 1.00 11.12 H new ATOM 0 HB2 PHE A 29 4.489 12.375 -1.535 1.00 62.35 H new ATOM 0 HB3 PHE A 29 4.005 14.048 -1.735 1.00 62.35 H new ATOM 0 HD1 PHE A 29 3.736 14.960 -4.113 1.00 33.33 H new ATOM 0 HD2 PHE A 29 4.179 10.799 -3.293 1.00 2.02 H new ATOM 0 HE1 PHE A 29 2.839 14.423 -6.337 1.00 10.13 H new ATOM 0 HE2 PHE A 29 3.276 10.264 -5.512 1.00 32.54 H new ATOM 0 HZ PHE A 29 2.606 12.074 -7.039 1.00 11.23 H new ATOM 502 N ALA A 30 5.959 14.633 0.006 1.00 12.24 N ATOM 503 CA ALA A 30 6.391 14.873 1.392 1.00 32.14 C ATOM 504 C ALA A 30 5.942 13.743 2.339 1.00 2.53 C ATOM 505 O ALA A 30 5.682 13.972 3.524 1.00 72.05 O ATOM 506 CB ALA A 30 5.845 16.214 1.871 1.00 51.42 C ATOM 0 H ALA A 30 5.112 15.135 -0.261 1.00 12.24 H new ATOM 0 HA ALA A 30 7.481 14.893 1.407 1.00 32.14 H new ATOM 0 HB1 ALA A 30 6.165 16.391 2.898 1.00 51.42 H new ATOM 0 HB2 ALA A 30 6.223 17.011 1.230 1.00 51.42 H new ATOM 0 HB3 ALA A 30 4.756 16.200 1.828 1.00 51.42 H new ATOM 512 N GLY A 31 5.898 12.517 1.824 1.00 21.34 N ATOM 513 CA GLY A 31 5.396 11.388 2.599 1.00 13.42 C ATOM 514 C GLY A 31 6.477 10.393 3.009 1.00 4.51 C ATOM 515 O GLY A 31 7.575 10.373 2.446 1.00 73.41 O ATOM 0 H GLY A 31 6.202 12.282 0.879 1.00 21.34 H new ATOM 0 HA2 GLY A 31 4.904 11.765 3.495 1.00 13.42 H new ATOM 0 HA3 GLY A 31 4.638 10.866 2.014 1.00 13.42 H new ATOM 519 N THR A 32 6.163 9.571 4.005 1.00 32.15 N ATOM 520 CA THR A 32 7.063 8.500 4.458 1.00 11.14 C ATOM 521 C THR A 32 6.303 7.177 4.599 1.00 10.24 C ATOM 522 O THR A 32 5.190 7.144 5.127 1.00 10.32 O ATOM 523 CB THR A 32 7.747 8.852 5.806 1.00 33.40 C ATOM 524 OG1 THR A 32 8.603 9.994 5.641 1.00 4.22 O ATOM 525 CG2 THR A 32 8.568 7.679 6.342 1.00 60.20 C ATOM 0 H THR A 32 5.285 9.622 4.522 1.00 32.15 H new ATOM 0 HA THR A 32 7.839 8.393 3.700 1.00 11.14 H new ATOM 0 HB THR A 32 6.960 9.078 6.525 1.00 33.40 H new ATOM 0 HG1 THR A 32 9.029 10.210 6.497 1.00 4.22 H new ATOM 0 HG21 THR A 32 9.032 7.962 7.287 1.00 60.20 H new ATOM 0 HG22 THR A 32 7.915 6.821 6.501 1.00 60.20 H new ATOM 0 HG23 THR A 32 9.342 7.417 5.621 1.00 60.20 H new ATOM 533 N VAL A 33 6.906 6.092 4.118 1.00 72.32 N ATOM 534 CA VAL A 33 6.266 4.774 4.136 1.00 24.43 C ATOM 535 C VAL A 33 6.735 3.918 5.324 1.00 21.10 C ATOM 536 O VAL A 33 7.901 3.526 5.404 1.00 63.35 O ATOM 537 CB VAL A 33 6.540 4.008 2.818 1.00 42.33 C ATOM 538 CG1 VAL A 33 5.903 2.620 2.844 1.00 70.11 C ATOM 539 CG2 VAL A 33 6.037 4.810 1.618 1.00 42.51 C ATOM 0 H VAL A 33 7.840 6.098 3.709 1.00 72.32 H new ATOM 0 HA VAL A 33 5.196 4.951 4.242 1.00 24.43 H new ATOM 0 HB VAL A 33 7.618 3.879 2.721 1.00 42.33 H new ATOM 0 HG11 VAL A 33 6.112 2.106 1.906 1.00 70.11 H new ATOM 0 HG12 VAL A 33 6.317 2.045 3.673 1.00 70.11 H new ATOM 0 HG13 VAL A 33 4.825 2.717 2.972 1.00 70.11 H new ATOM 0 HG21 VAL A 33 6.238 4.257 0.701 1.00 42.51 H new ATOM 0 HG22 VAL A 33 4.964 4.975 1.715 1.00 42.51 H new ATOM 0 HG23 VAL A 33 6.550 5.771 1.582 1.00 42.51 H new ATOM 549 N THR A 34 5.817 3.634 6.241 1.00 31.15 N ATOM 550 CA THR A 34 6.086 2.721 7.360 1.00 23.41 C ATOM 551 C THR A 34 5.341 1.398 7.155 1.00 23.54 C ATOM 552 O THR A 34 4.208 1.386 6.674 1.00 61.03 O ATOM 553 CB THR A 34 5.673 3.330 8.724 1.00 32.22 C ATOM 554 OG1 THR A 34 5.861 2.367 9.773 1.00 53.23 O ATOM 555 CG2 THR A 34 4.220 3.797 8.709 1.00 40.13 C ATOM 0 H THR A 34 4.874 4.022 6.236 1.00 31.15 H new ATOM 0 HA THR A 34 7.162 2.547 7.378 1.00 23.41 H new ATOM 0 HB THR A 34 6.308 4.197 8.907 1.00 32.22 H new ATOM 0 HG1 THR A 34 5.599 2.762 10.631 1.00 53.23 H new ATOM 0 HG21 THR A 34 3.963 4.219 9.681 1.00 40.13 H new ATOM 0 HG22 THR A 34 4.090 4.556 7.938 1.00 40.13 H new ATOM 0 HG23 THR A 34 3.568 2.950 8.497 1.00 40.13 H new ATOM 563 N TYR A 35 5.971 0.281 7.509 1.00 22.04 N ATOM 564 CA TYR A 35 5.365 -1.033 7.279 1.00 11.44 C ATOM 565 C TYR A 35 5.816 -2.067 8.320 1.00 63.15 C ATOM 566 O TYR A 35 6.913 -1.974 8.872 1.00 13.54 O ATOM 567 CB TYR A 35 5.689 -1.527 5.859 1.00 53.15 C ATOM 568 CG TYR A 35 7.173 -1.742 5.593 1.00 74.23 C ATOM 569 CD1 TYR A 35 8.012 -0.676 5.276 1.00 13.23 C ATOM 570 CD2 TYR A 35 7.731 -3.017 5.648 1.00 30.41 C ATOM 571 CE1 TYR A 35 9.359 -0.875 5.029 1.00 21.41 C ATOM 572 CE2 TYR A 35 9.075 -3.221 5.402 1.00 53.13 C ATOM 573 CZ TYR A 35 9.883 -2.150 5.092 1.00 64.05 C ATOM 574 OH TYR A 35 11.223 -2.353 4.845 1.00 20.53 O ATOM 0 H TYR A 35 6.890 0.255 7.951 1.00 22.04 H new ATOM 0 HA TYR A 35 4.286 -0.918 7.383 1.00 11.44 H new ATOM 0 HB2 TYR A 35 5.161 -2.464 5.684 1.00 53.15 H new ATOM 0 HB3 TYR A 35 5.304 -0.805 5.139 1.00 53.15 H new ATOM 0 HD1 TYR A 35 7.604 0.323 5.222 1.00 13.23 H new ATOM 0 HD2 TYR A 35 7.102 -3.861 5.887 1.00 30.41 H new ATOM 0 HE1 TYR A 35 9.997 -0.037 4.788 1.00 21.41 H new ATOM 0 HE2 TYR A 35 9.490 -4.217 5.453 1.00 53.13 H new ATOM 0 HH TYR A 35 11.431 -3.307 4.931 1.00 20.53 H new ATOM 584 N THR A 36 4.957 -3.054 8.576 1.00 31.21 N ATOM 585 CA THR A 36 5.262 -4.132 9.529 1.00 13.31 C ATOM 586 C THR A 36 4.942 -5.515 8.937 1.00 61.35 C ATOM 587 O THR A 36 3.926 -5.693 8.256 1.00 33.30 O ATOM 588 CB THR A 36 4.488 -3.957 10.863 1.00 43.53 C ATOM 589 OG1 THR A 36 4.813 -5.023 11.773 1.00 75.54 O ATOM 590 CG2 THR A 36 2.977 -3.919 10.633 1.00 62.43 C ATOM 0 H THR A 36 4.040 -3.133 8.137 1.00 31.21 H new ATOM 0 HA THR A 36 6.331 -4.069 9.732 1.00 13.31 H new ATOM 0 HB THR A 36 4.791 -3.004 11.297 1.00 43.53 H new ATOM 0 HG1 THR A 36 4.320 -4.900 12.611 1.00 75.54 H new ATOM 0 HG21 THR A 36 2.467 -3.796 11.588 1.00 62.43 H new ATOM 0 HG22 THR A 36 2.729 -3.083 9.979 1.00 62.43 H new ATOM 0 HG23 THR A 36 2.656 -4.851 10.168 1.00 62.43 H new ATOM 598 N LEU A 37 5.828 -6.485 9.181 1.00 53.20 N ATOM 599 CA LEU A 37 5.649 -7.859 8.685 1.00 73.43 C ATOM 600 C LEU A 37 5.178 -8.813 9.790 1.00 43.23 C ATOM 601 O LEU A 37 5.630 -8.730 10.933 1.00 65.14 O ATOM 602 CB LEU A 37 6.962 -8.400 8.086 1.00 55.14 C ATOM 603 CG LEU A 37 7.293 -7.932 6.659 1.00 11.22 C ATOM 604 CD1 LEU A 37 6.172 -8.311 5.696 1.00 0.23 C ATOM 605 CD2 LEU A 37 7.566 -6.430 6.622 1.00 72.14 C ATOM 0 H LEU A 37 6.682 -6.346 9.722 1.00 53.20 H new ATOM 0 HA LEU A 37 4.880 -7.814 7.914 1.00 73.43 H new ATOM 0 HB2 LEU A 37 7.784 -8.112 8.742 1.00 55.14 H new ATOM 0 HB3 LEU A 37 6.919 -9.489 8.089 1.00 55.14 H new ATOM 0 HG LEU A 37 8.202 -8.440 6.338 1.00 11.22 H new ATOM 0 HD11 LEU A 37 6.425 -7.971 4.692 1.00 0.23 H new ATOM 0 HD12 LEU A 37 6.046 -9.394 5.692 1.00 0.23 H new ATOM 0 HD13 LEU A 37 5.243 -7.839 6.015 1.00 0.23 H new ATOM 0 HD21 LEU A 37 7.797 -6.127 5.601 1.00 72.14 H new ATOM 0 HD22 LEU A 37 6.684 -5.891 6.969 1.00 72.14 H new ATOM 0 HD23 LEU A 37 8.412 -6.198 7.269 1.00 72.14 H new ATOM 617 N ASP A 38 4.267 -9.715 9.438 1.00 42.25 N ATOM 618 CA ASP A 38 3.863 -10.797 10.339 1.00 10.45 C ATOM 619 C ASP A 38 3.362 -12.013 9.546 1.00 74.14 C ATOM 620 O ASP A 38 2.227 -12.035 9.070 1.00 23.15 O ATOM 621 CB ASP A 38 2.785 -10.319 11.318 1.00 72.13 C ATOM 622 CG ASP A 38 2.478 -11.367 12.370 1.00 71.10 C ATOM 623 OD1 ASP A 38 3.279 -11.510 13.321 1.00 63.14 O ATOM 624 OD2 ASP A 38 1.453 -12.068 12.246 1.00 1.42 O ATOM 0 H ASP A 38 3.792 -9.721 8.535 1.00 42.25 H new ATOM 0 HA ASP A 38 4.740 -11.098 10.912 1.00 10.45 H new ATOM 0 HB2 ASP A 38 3.116 -9.401 11.804 1.00 72.13 H new ATOM 0 HB3 ASP A 38 1.875 -10.078 10.768 1.00 72.13 H new ATOM 629 N GLY A 39 4.228 -13.015 9.389 1.00 15.02 N ATOM 630 CA GLY A 39 3.868 -14.218 8.645 1.00 2.43 C ATOM 631 C GLY A 39 3.462 -13.938 7.198 1.00 50.20 C ATOM 632 O GLY A 39 4.315 -13.821 6.314 1.00 51.55 O ATOM 0 H GLY A 39 5.176 -13.016 9.765 1.00 15.02 H new ATOM 0 HA2 GLY A 39 4.713 -14.906 8.651 1.00 2.43 H new ATOM 0 HA3 GLY A 39 3.045 -14.719 9.155 1.00 2.43 H new ATOM 636 N ASN A 40 2.156 -13.807 6.965 1.00 23.42 N ATOM 637 CA ASN A 40 1.616 -13.594 5.614 1.00 73.21 C ATOM 638 C ASN A 40 1.024 -12.180 5.443 1.00 3.30 C ATOM 639 O ASN A 40 0.440 -11.866 4.404 1.00 73.45 O ATOM 640 CB ASN A 40 0.537 -14.642 5.322 1.00 22.25 C ATOM 641 CG ASN A 40 -0.579 -14.605 6.349 1.00 42.43 C ATOM 642 OD1 ASN A 40 -1.580 -13.790 6.105 1.00 74.23 O flip ATOM 643 ND2 ASN A 40 -0.535 -15.296 7.359 1.00 23.34 N flip ATOM 0 H ASN A 40 1.446 -13.844 7.696 1.00 23.42 H new ATOM 0 HA ASN A 40 2.440 -13.695 4.908 1.00 73.21 H new ATOM 0 HB2 ASN A 40 0.122 -14.469 4.329 1.00 22.25 H new ATOM 0 HB3 ASN A 40 0.988 -15.634 5.311 1.00 22.25 H new ATOM 0 HD21 ASN A 40 0.258 -15.918 7.517 1.00 23.34 H new ATOM 0 HD22 ASN A 40 -1.291 -15.249 8.042 1.00 23.34 H new ATOM 650 N ASP A 41 1.162 -11.337 6.467 1.00 12.33 N ATOM 651 CA ASP A 41 0.606 -9.977 6.433 1.00 54.13 C ATOM 652 C ASP A 41 1.698 -8.897 6.301 1.00 42.13 C ATOM 653 O ASP A 41 2.749 -8.965 6.945 1.00 23.11 O ATOM 654 CB ASP A 41 -0.232 -9.721 7.692 1.00 21.25 C ATOM 655 CG ASP A 41 -1.473 -10.595 7.747 1.00 23.14 C ATOM 656 OD1 ASP A 41 -1.379 -11.737 8.233 1.00 54.15 O ATOM 657 OD2 ASP A 41 -2.553 -10.134 7.302 1.00 52.15 O ATOM 0 H ASP A 41 1.653 -11.568 7.331 1.00 12.33 H new ATOM 0 HA ASP A 41 -0.025 -9.909 5.547 1.00 54.13 H new ATOM 0 HB2 ASP A 41 0.379 -9.905 8.576 1.00 21.25 H new ATOM 0 HB3 ASP A 41 -0.527 -8.672 7.722 1.00 21.25 H new ATOM 662 N LEU A 42 1.422 -7.908 5.455 1.00 23.41 N ATOM 663 CA LEU A 42 2.302 -6.748 5.259 1.00 12.41 C ATOM 664 C LEU A 42 1.484 -5.447 5.261 1.00 4.00 C ATOM 665 O LEU A 42 0.865 -5.092 4.257 1.00 73.33 O ATOM 666 CB LEU A 42 3.070 -6.888 3.931 1.00 34.32 C ATOM 667 CG LEU A 42 3.843 -5.636 3.467 1.00 35.31 C ATOM 668 CD1 LEU A 42 4.929 -5.248 4.467 1.00 34.41 C ATOM 669 CD2 LEU A 42 4.439 -5.852 2.075 1.00 20.31 C ATOM 0 H LEU A 42 0.579 -7.884 4.881 1.00 23.41 H new ATOM 0 HA LEU A 42 3.017 -6.710 6.081 1.00 12.41 H new ATOM 0 HB2 LEU A 42 3.776 -7.713 4.027 1.00 34.32 H new ATOM 0 HB3 LEU A 42 2.361 -7.164 3.150 1.00 34.32 H new ATOM 0 HG LEU A 42 3.134 -4.810 3.413 1.00 35.31 H new ATOM 0 HD11 LEU A 42 5.454 -4.362 4.109 1.00 34.41 H new ATOM 0 HD12 LEU A 42 4.474 -5.034 5.434 1.00 34.41 H new ATOM 0 HD13 LEU A 42 5.636 -6.071 4.573 1.00 34.41 H new ATOM 0 HD21 LEU A 42 4.980 -4.957 1.768 1.00 20.31 H new ATOM 0 HD22 LEU A 42 5.124 -6.699 2.100 1.00 20.31 H new ATOM 0 HD23 LEU A 42 3.638 -6.054 1.364 1.00 20.31 H new ATOM 681 N GLU A 43 1.466 -4.743 6.390 1.00 31.31 N ATOM 682 CA GLU A 43 0.704 -3.493 6.500 1.00 71.11 C ATOM 683 C GLU A 43 1.582 -2.276 6.172 1.00 2.10 C ATOM 684 O GLU A 43 2.553 -1.994 6.873 1.00 51.04 O ATOM 685 CB GLU A 43 0.092 -3.359 7.904 1.00 11.43 C ATOM 686 CG GLU A 43 -0.784 -4.545 8.296 1.00 62.32 C ATOM 687 CD GLU A 43 -1.618 -4.289 9.541 1.00 42.02 C ATOM 688 OE1 GLU A 43 -1.100 -4.480 10.661 1.00 45.14 O ATOM 689 OE2 GLU A 43 -2.801 -3.910 9.404 1.00 0.32 O ATOM 0 H GLU A 43 1.965 -5.011 7.238 1.00 31.31 H new ATOM 0 HA GLU A 43 -0.105 -3.526 5.770 1.00 71.11 H new ATOM 0 HB2 GLU A 43 0.894 -3.252 8.634 1.00 11.43 H new ATOM 0 HB3 GLU A 43 -0.503 -2.447 7.948 1.00 11.43 H new ATOM 0 HG2 GLU A 43 -1.447 -4.788 7.466 1.00 62.32 H new ATOM 0 HG3 GLU A 43 -0.151 -5.416 8.464 1.00 62.32 H new ATOM 696 N ILE A 44 1.233 -1.570 5.096 1.00 13.21 N ATOM 697 CA ILE A 44 2.015 -0.424 4.609 1.00 15.03 C ATOM 698 C ILE A 44 1.236 0.899 4.736 1.00 3.40 C ATOM 699 O ILE A 44 0.270 1.135 4.010 1.00 5.00 O ATOM 700 CB ILE A 44 2.408 -0.629 3.120 1.00 75.44 C ATOM 701 CG1 ILE A 44 3.256 -1.903 2.949 1.00 43.20 C ATOM 702 CG2 ILE A 44 3.146 0.594 2.572 1.00 63.15 C ATOM 703 CD1 ILE A 44 3.615 -2.212 1.509 1.00 30.01 C ATOM 0 H ILE A 44 0.404 -1.772 4.537 1.00 13.21 H new ATOM 0 HA ILE A 44 2.909 -0.364 5.230 1.00 15.03 H new ATOM 0 HB ILE A 44 1.490 -0.751 2.545 1.00 75.44 H new ATOM 0 HG12 ILE A 44 4.174 -1.797 3.528 1.00 43.20 H new ATOM 0 HG13 ILE A 44 2.711 -2.749 3.367 1.00 43.20 H new ATOM 0 HG21 ILE A 44 3.409 0.423 1.528 1.00 63.15 H new ATOM 0 HG22 ILE A 44 2.502 1.470 2.645 1.00 63.15 H new ATOM 0 HG23 ILE A 44 4.054 0.761 3.152 1.00 63.15 H new ATOM 0 HD11 ILE A 44 4.212 -3.123 1.470 1.00 30.01 H new ATOM 0 HD12 ILE A 44 2.703 -2.351 0.928 1.00 30.01 H new ATOM 0 HD13 ILE A 44 4.188 -1.384 1.091 1.00 30.01 H new ATOM 715 N ARG A 45 1.660 1.767 5.648 1.00 15.11 N ATOM 716 CA ARG A 45 1.006 3.067 5.830 1.00 64.44 C ATOM 717 C ARG A 45 1.869 4.211 5.272 1.00 23.13 C ATOM 718 O ARG A 45 3.066 4.298 5.552 1.00 11.21 O ATOM 719 CB ARG A 45 0.723 3.330 7.313 1.00 31.24 C ATOM 720 CG ARG A 45 -0.242 4.491 7.545 1.00 21.01 C ATOM 721 CD ARG A 45 -0.212 4.981 8.986 1.00 3.55 C ATOM 722 NE ARG A 45 0.976 5.792 9.259 1.00 42.32 N ATOM 723 CZ ARG A 45 1.722 5.676 10.320 1.00 35.34 C ATOM 724 NH1 ARG A 45 1.500 4.742 11.193 1.00 43.04 N ATOM 725 NH2 ARG A 45 2.717 6.487 10.487 1.00 73.24 N ATOM 0 H ARG A 45 2.449 1.600 6.272 1.00 15.11 H new ATOM 0 HA ARG A 45 0.065 3.034 5.280 1.00 64.44 H new ATOM 0 HB2 ARG A 45 0.310 2.427 7.763 1.00 31.24 H new ATOM 0 HB3 ARG A 45 1.663 3.540 7.824 1.00 31.24 H new ATOM 0 HG2 ARG A 45 0.014 5.314 6.877 1.00 21.01 H new ATOM 0 HG3 ARG A 45 -1.254 4.177 7.290 1.00 21.01 H new ATOM 0 HD2 ARG A 45 -1.108 5.568 9.189 1.00 3.55 H new ATOM 0 HD3 ARG A 45 -0.232 4.126 9.661 1.00 3.55 H new ATOM 0 HE ARG A 45 1.238 6.497 8.570 1.00 42.32 H new ATOM 0 HH11 ARG A 45 0.732 4.085 11.053 1.00 43.04 H new ATOM 0 HH12 ARG A 45 2.093 4.664 12.019 1.00 43.04 H new ATOM 0 HH21 ARG A 45 2.910 7.208 9.791 1.00 73.24 H new ATOM 0 HH22 ARG A 45 3.308 6.405 11.314 1.00 73.24 H new ATOM 739 N ILE A 46 1.251 5.093 4.490 1.00 32.15 N ATOM 740 CA ILE A 46 1.939 6.271 3.950 1.00 10.24 C ATOM 741 C ILE A 46 1.460 7.554 4.653 1.00 61.34 C ATOM 742 O ILE A 46 0.293 7.943 4.544 1.00 3.43 O ATOM 743 CB ILE A 46 1.721 6.400 2.421 1.00 64.32 C ATOM 744 CG1 ILE A 46 2.150 5.104 1.707 1.00 61.03 C ATOM 745 CG2 ILE A 46 2.491 7.601 1.872 1.00 12.35 C ATOM 746 CD1 ILE A 46 1.998 5.151 0.199 1.00 74.14 C ATOM 0 H ILE A 46 0.272 5.017 4.213 1.00 32.15 H new ATOM 0 HA ILE A 46 3.005 6.139 4.137 1.00 10.24 H new ATOM 0 HB ILE A 46 0.659 6.560 2.232 1.00 64.32 H new ATOM 0 HG12 ILE A 46 3.192 4.895 1.950 1.00 61.03 H new ATOM 0 HG13 ILE A 46 1.559 4.275 2.096 1.00 61.03 H new ATOM 0 HG21 ILE A 46 2.327 7.678 0.797 1.00 12.35 H new ATOM 0 HG22 ILE A 46 2.140 8.511 2.358 1.00 12.35 H new ATOM 0 HG23 ILE A 46 3.555 7.472 2.069 1.00 12.35 H new ATOM 0 HD11 ILE A 46 2.321 4.202 -0.229 1.00 74.14 H new ATOM 0 HD12 ILE A 46 0.953 5.328 -0.056 1.00 74.14 H new ATOM 0 HD13 ILE A 46 2.611 5.957 -0.204 1.00 74.14 H new ATOM 758 N THR A 47 2.365 8.196 5.388 1.00 41.43 N ATOM 759 CA THR A 47 2.036 9.414 6.144 1.00 44.32 C ATOM 760 C THR A 47 2.524 10.682 5.426 1.00 14.43 C ATOM 761 O THR A 47 3.717 10.827 5.149 1.00 74.22 O ATOM 762 CB THR A 47 2.657 9.384 7.568 1.00 23.24 C ATOM 763 OG1 THR A 47 2.169 8.246 8.303 1.00 34.12 O ATOM 764 CG2 THR A 47 2.336 10.662 8.343 1.00 53.44 C ATOM 0 H THR A 47 3.336 7.896 5.480 1.00 41.43 H new ATOM 0 HA THR A 47 0.949 9.440 6.219 1.00 44.32 H new ATOM 0 HB THR A 47 3.738 9.310 7.453 1.00 23.24 H new ATOM 0 HG1 THR A 47 1.386 8.508 8.830 1.00 34.12 H new ATOM 0 HG21 THR A 47 2.785 10.609 9.335 1.00 53.44 H new ATOM 0 HG22 THR A 47 2.738 11.522 7.808 1.00 53.44 H new ATOM 0 HG23 THR A 47 1.255 10.767 8.439 1.00 53.44 H new ATOM 772 N GLY A 48 1.601 11.604 5.130 1.00 61.34 N ATOM 773 CA GLY A 48 1.977 12.900 4.557 1.00 54.10 C ATOM 774 C GLY A 48 1.723 13.022 3.053 1.00 12.24 C ATOM 775 O GLY A 48 2.602 13.445 2.303 1.00 32.01 O ATOM 0 H GLY A 48 0.599 11.479 5.276 1.00 61.34 H new ATOM 0 HA2 GLY A 48 1.424 13.686 5.072 1.00 54.10 H new ATOM 0 HA3 GLY A 48 3.035 13.076 4.750 1.00 54.10 H new ATOM 779 N VAL A 49 0.518 12.667 2.607 1.00 71.52 N ATOM 780 CA VAL A 49 0.156 12.771 1.184 1.00 51.43 C ATOM 781 C VAL A 49 -1.087 13.652 0.961 1.00 33.41 C ATOM 782 O VAL A 49 -2.003 13.675 1.787 1.00 21.12 O ATOM 783 CB VAL A 49 -0.101 11.374 0.559 1.00 54.22 C ATOM 784 CG1 VAL A 49 1.175 10.533 0.554 1.00 11.23 C ATOM 785 CG2 VAL A 49 -1.234 10.651 1.292 1.00 14.53 C ATOM 0 H VAL A 49 -0.225 12.305 3.204 1.00 71.52 H new ATOM 0 HA VAL A 49 1.009 13.239 0.692 1.00 51.43 H new ATOM 0 HB VAL A 49 -0.408 11.518 -0.477 1.00 54.22 H new ATOM 0 HG11 VAL A 49 0.967 9.559 0.111 1.00 11.23 H new ATOM 0 HG12 VAL A 49 1.943 11.041 -0.029 1.00 11.23 H new ATOM 0 HG13 VAL A 49 1.526 10.399 1.577 1.00 11.23 H new ATOM 0 HG21 VAL A 49 -1.397 9.674 0.837 1.00 14.53 H new ATOM 0 HG22 VAL A 49 -0.965 10.523 2.341 1.00 14.53 H new ATOM 0 HG23 VAL A 49 -2.148 11.241 1.221 1.00 14.53 H new ATOM 795 N PRO A 50 -1.124 14.408 -0.156 1.00 42.24 N ATOM 796 CA PRO A 50 -2.312 15.173 -0.568 1.00 31.35 C ATOM 797 C PRO A 50 -3.408 14.267 -1.162 1.00 1.41 C ATOM 798 O PRO A 50 -3.127 13.154 -1.607 1.00 71.31 O ATOM 799 CB PRO A 50 -1.777 16.144 -1.644 1.00 13.01 C ATOM 800 CG PRO A 50 -0.288 15.966 -1.662 1.00 74.23 C ATOM 801 CD PRO A 50 -0.008 14.605 -1.088 1.00 23.45 C ATOM 0 HA PRO A 50 -2.778 15.678 0.278 1.00 31.35 H new ATOM 0 HB2 PRO A 50 -2.208 15.920 -2.620 1.00 13.01 H new ATOM 0 HB3 PRO A 50 -2.043 17.174 -1.407 1.00 13.01 H new ATOM 0 HG2 PRO A 50 0.099 16.044 -2.678 1.00 74.23 H new ATOM 0 HG3 PRO A 50 0.202 16.742 -1.074 1.00 74.23 H new ATOM 0 HD2 PRO A 50 0.013 13.837 -1.861 1.00 23.45 H new ATOM 0 HD3 PRO A 50 0.955 14.571 -0.578 1.00 23.45 H new ATOM 809 N GLU A 51 -4.652 14.747 -1.193 1.00 35.24 N ATOM 810 CA GLU A 51 -5.780 13.943 -1.689 1.00 14.04 C ATOM 811 C GLU A 51 -5.610 13.566 -3.172 1.00 43.53 C ATOM 812 O GLU A 51 -5.966 12.459 -3.582 1.00 60.34 O ATOM 813 CB GLU A 51 -7.107 14.687 -1.485 1.00 24.43 C ATOM 814 CG GLU A 51 -8.337 13.848 -1.833 1.00 60.11 C ATOM 815 CD GLU A 51 -9.648 14.569 -1.564 1.00 30.32 C ATOM 816 OE1 GLU A 51 -10.073 14.614 -0.391 1.00 21.45 O ATOM 817 OE2 GLU A 51 -10.262 15.083 -2.523 1.00 72.41 O ATOM 0 H GLU A 51 -4.908 15.684 -0.883 1.00 35.24 H new ATOM 0 HA GLU A 51 -5.795 13.020 -1.110 1.00 14.04 H new ATOM 0 HB2 GLU A 51 -7.178 15.008 -0.446 1.00 24.43 H new ATOM 0 HB3 GLU A 51 -7.107 15.588 -2.098 1.00 24.43 H new ATOM 0 HG2 GLU A 51 -8.293 13.569 -2.886 1.00 60.11 H new ATOM 0 HG3 GLU A 51 -8.313 12.923 -1.257 1.00 60.11 H new ATOM 824 N GLN A 52 -5.057 14.482 -3.970 1.00 14.33 N ATOM 825 CA GLN A 52 -4.787 14.204 -5.390 1.00 25.03 C ATOM 826 C GLN A 52 -3.800 13.031 -5.550 1.00 61.51 C ATOM 827 O GLN A 52 -3.709 12.417 -6.612 1.00 75.31 O ATOM 828 CB GLN A 52 -4.232 15.455 -6.091 1.00 21.00 C ATOM 829 CG GLN A 52 -2.823 15.848 -5.650 1.00 3.14 C ATOM 830 CD GLN A 52 -2.295 17.075 -6.379 1.00 44.11 C ATOM 831 OE1 GLN A 52 -2.433 18.201 -5.917 1.00 42.44 O ATOM 832 NE2 GLN A 52 -1.704 16.868 -7.540 1.00 21.51 N ATOM 0 H GLN A 52 -4.788 15.417 -3.664 1.00 14.33 H new ATOM 0 HA GLN A 52 -5.731 13.925 -5.858 1.00 25.03 H new ATOM 0 HB2 GLN A 52 -4.229 15.283 -7.167 1.00 21.00 H new ATOM 0 HB3 GLN A 52 -4.906 16.291 -5.904 1.00 21.00 H new ATOM 0 HG2 GLN A 52 -2.824 16.041 -4.577 1.00 3.14 H new ATOM 0 HG3 GLN A 52 -2.147 15.010 -5.822 1.00 3.14 H new ATOM 0 HE21 GLN A 52 -1.604 15.919 -7.899 1.00 21.51 H new ATOM 0 HE22 GLN A 52 -1.347 17.657 -8.079 1.00 21.51 H new ATOM 841 N VAL A 53 -3.053 12.744 -4.483 1.00 4.42 N ATOM 842 CA VAL A 53 -2.134 11.602 -4.452 1.00 40.02 C ATOM 843 C VAL A 53 -2.800 10.379 -3.795 1.00 4.20 C ATOM 844 O VAL A 53 -2.580 9.245 -4.210 1.00 3.12 O ATOM 845 CB VAL A 53 -0.831 11.967 -3.697 1.00 62.21 C ATOM 846 CG1 VAL A 53 0.116 10.771 -3.613 1.00 14.41 C ATOM 847 CG2 VAL A 53 -0.144 13.156 -4.366 1.00 3.22 C ATOM 0 H VAL A 53 -3.066 13.291 -3.622 1.00 4.42 H new ATOM 0 HA VAL A 53 -1.882 11.348 -5.482 1.00 40.02 H new ATOM 0 HB VAL A 53 -1.099 12.248 -2.678 1.00 62.21 H new ATOM 0 HG11 VAL A 53 1.020 11.060 -3.078 1.00 14.41 H new ATOM 0 HG12 VAL A 53 -0.375 9.955 -3.082 1.00 14.41 H new ATOM 0 HG13 VAL A 53 0.379 10.444 -4.619 1.00 14.41 H new ATOM 0 HG21 VAL A 53 0.770 13.400 -3.824 1.00 3.22 H new ATOM 0 HG22 VAL A 53 0.103 12.901 -5.397 1.00 3.22 H new ATOM 0 HG23 VAL A 53 -0.813 14.016 -4.355 1.00 3.22 H new ATOM 857 N ARG A 54 -3.620 10.633 -2.771 1.00 24.24 N ATOM 858 CA ARG A 54 -4.438 9.592 -2.121 1.00 70.40 C ATOM 859 C ARG A 54 -5.139 8.696 -3.157 1.00 11.45 C ATOM 860 O ARG A 54 -5.027 7.468 -3.121 1.00 53.14 O ATOM 861 CB ARG A 54 -5.483 10.264 -1.210 1.00 43.14 C ATOM 862 CG ARG A 54 -6.676 9.378 -0.844 1.00 71.43 C ATOM 863 CD ARG A 54 -7.735 10.151 -0.061 1.00 43.31 C ATOM 864 NE ARG A 54 -9.028 9.465 -0.039 1.00 14.14 N ATOM 865 CZ ARG A 54 -10.176 10.059 0.157 1.00 2.40 C ATOM 866 NH1 ARG A 54 -10.238 11.340 0.359 1.00 13.13 N ATOM 867 NH2 ARG A 54 -11.263 9.360 0.152 1.00 33.41 N ATOM 0 H ARG A 54 -3.739 11.562 -2.366 1.00 24.24 H new ATOM 0 HA ARG A 54 -3.780 8.957 -1.528 1.00 70.40 H new ATOM 0 HB2 ARG A 54 -4.991 10.586 -0.292 1.00 43.14 H new ATOM 0 HB3 ARG A 54 -5.853 11.162 -1.705 1.00 43.14 H new ATOM 0 HG2 ARG A 54 -7.120 8.972 -1.753 1.00 71.43 H new ATOM 0 HG3 ARG A 54 -6.332 8.531 -0.251 1.00 71.43 H new ATOM 0 HD2 ARG A 54 -7.389 10.300 0.962 1.00 43.31 H new ATOM 0 HD3 ARG A 54 -7.859 11.140 -0.503 1.00 43.31 H new ATOM 0 HE ARG A 54 -9.034 8.456 -0.187 1.00 14.14 H new ATOM 0 HH11 ARG A 54 -9.384 11.897 0.366 1.00 13.13 H new ATOM 0 HH12 ARG A 54 -11.141 11.789 0.510 1.00 13.13 H new ATOM 0 HH21 ARG A 54 -11.221 8.353 -0.004 1.00 33.41 H new ATOM 0 HH22 ARG A 54 -12.163 9.815 0.304 1.00 33.41 H new ATOM 881 N LYS A 55 -5.857 9.328 -4.081 1.00 61.42 N ATOM 882 CA LYS A 55 -6.578 8.610 -5.138 1.00 43.33 C ATOM 883 C LYS A 55 -5.626 7.754 -5.996 1.00 74.04 C ATOM 884 O LYS A 55 -5.989 6.673 -6.465 1.00 14.11 O ATOM 885 CB LYS A 55 -7.324 9.615 -6.026 1.00 31.34 C ATOM 886 CG LYS A 55 -8.351 10.463 -5.275 1.00 64.01 C ATOM 887 CD LYS A 55 -8.925 11.573 -6.154 1.00 24.22 C ATOM 888 CE LYS A 55 -9.959 12.410 -5.409 1.00 4.24 C ATOM 889 NZ LYS A 55 -11.182 11.627 -5.079 1.00 41.53 N ATOM 0 H LYS A 55 -5.958 10.342 -4.122 1.00 61.42 H new ATOM 0 HA LYS A 55 -7.291 7.936 -4.663 1.00 43.33 H new ATOM 0 HB2 LYS A 55 -6.598 10.276 -6.499 1.00 31.34 H new ATOM 0 HB3 LYS A 55 -7.830 9.073 -6.825 1.00 31.34 H new ATOM 0 HG2 LYS A 55 -9.161 9.824 -4.922 1.00 64.01 H new ATOM 0 HG3 LYS A 55 -7.884 10.903 -4.394 1.00 64.01 H new ATOM 0 HD2 LYS A 55 -8.117 12.217 -6.499 1.00 24.22 H new ATOM 0 HD3 LYS A 55 -9.383 11.134 -7.040 1.00 24.22 H new ATOM 0 HE2 LYS A 55 -9.518 12.797 -4.490 1.00 4.24 H new ATOM 0 HE3 LYS A 55 -10.234 13.271 -6.018 1.00 4.24 H new ATOM 0 HZ1 LYS A 55 -11.915 12.267 -4.712 1.00 41.53 H new ATOM 0 HZ2 LYS A 55 -11.533 11.153 -5.936 1.00 41.53 H new ATOM 0 HZ3 LYS A 55 -10.953 10.913 -4.358 1.00 41.53 H new ATOM 903 N GLU A 56 -4.406 8.246 -6.191 1.00 44.52 N ATOM 904 CA GLU A 56 -3.400 7.539 -6.992 1.00 61.54 C ATOM 905 C GLU A 56 -2.803 6.351 -6.222 1.00 24.44 C ATOM 906 O GLU A 56 -2.482 5.313 -6.809 1.00 71.12 O ATOM 907 CB GLU A 56 -2.290 8.509 -7.418 1.00 44.33 C ATOM 908 CG GLU A 56 -2.795 9.712 -8.210 1.00 24.10 C ATOM 909 CD GLU A 56 -3.508 9.312 -9.492 1.00 43.55 C ATOM 910 OE1 GLU A 56 -4.739 9.097 -9.461 1.00 71.23 O ATOM 911 OE2 GLU A 56 -2.838 9.200 -10.542 1.00 44.21 O ATOM 0 H GLU A 56 -4.085 9.134 -5.806 1.00 44.52 H new ATOM 0 HA GLU A 56 -3.893 7.145 -7.881 1.00 61.54 H new ATOM 0 HB2 GLU A 56 -1.769 8.864 -6.529 1.00 44.33 H new ATOM 0 HB3 GLU A 56 -1.560 7.969 -8.021 1.00 44.33 H new ATOM 0 HG2 GLU A 56 -3.475 10.293 -7.587 1.00 24.10 H new ATOM 0 HG3 GLU A 56 -1.954 10.361 -8.454 1.00 24.10 H new ATOM 918 N LEU A 57 -2.650 6.510 -4.910 1.00 11.45 N ATOM 919 CA LEU A 57 -2.157 5.429 -4.049 1.00 33.35 C ATOM 920 C LEU A 57 -3.122 4.238 -4.062 1.00 13.23 C ATOM 921 O LEU A 57 -2.707 3.085 -4.183 1.00 3.34 O ATOM 922 CB LEU A 57 -1.961 5.934 -2.611 1.00 50.00 C ATOM 923 CG LEU A 57 -0.955 7.089 -2.447 1.00 35.42 C ATOM 924 CD1 LEU A 57 -0.870 7.533 -0.987 1.00 23.52 C ATOM 925 CD2 LEU A 57 0.423 6.680 -2.969 1.00 74.51 C ATOM 0 H LEU A 57 -2.860 7.377 -4.415 1.00 11.45 H new ATOM 0 HA LEU A 57 -1.195 5.098 -4.440 1.00 33.35 H new ATOM 0 HB2 LEU A 57 -2.927 6.258 -2.223 1.00 50.00 H new ATOM 0 HB3 LEU A 57 -1.633 5.099 -1.992 1.00 50.00 H new ATOM 0 HG LEU A 57 -1.308 7.934 -3.037 1.00 35.42 H new ATOM 0 HD11 LEU A 57 -0.154 8.349 -0.896 1.00 23.52 H new ATOM 0 HD12 LEU A 57 -1.850 7.872 -0.652 1.00 23.52 H new ATOM 0 HD13 LEU A 57 -0.545 6.695 -0.370 1.00 23.52 H new ATOM 0 HD21 LEU A 57 1.120 7.509 -2.845 1.00 74.51 H new ATOM 0 HD22 LEU A 57 0.783 5.817 -2.409 1.00 74.51 H new ATOM 0 HD23 LEU A 57 0.350 6.423 -4.026 1.00 74.51 H new ATOM 937 N ALA A 58 -4.417 4.530 -3.944 1.00 64.23 N ATOM 938 CA ALA A 58 -5.454 3.498 -4.039 1.00 2.12 C ATOM 939 C ALA A 58 -5.424 2.807 -5.409 1.00 71.04 C ATOM 940 O ALA A 58 -5.386 1.581 -5.496 1.00 13.21 O ATOM 941 CB ALA A 58 -6.828 4.109 -3.786 1.00 20.23 C ATOM 0 H ALA A 58 -4.775 5.471 -3.783 1.00 64.23 H new ATOM 0 HA ALA A 58 -5.253 2.745 -3.277 1.00 2.12 H new ATOM 0 HB1 ALA A 58 -7.590 3.333 -3.859 1.00 20.23 H new ATOM 0 HB2 ALA A 58 -6.853 4.549 -2.789 1.00 20.23 H new ATOM 0 HB3 ALA A 58 -7.025 4.882 -4.529 1.00 20.23 H new ATOM 947 N LYS A 59 -5.421 3.611 -6.473 1.00 5.32 N ATOM 948 CA LYS A 59 -5.385 3.103 -7.852 1.00 54.31 C ATOM 949 C LYS A 59 -4.189 2.161 -8.095 1.00 13.35 C ATOM 950 O LYS A 59 -4.299 1.173 -8.826 1.00 0.40 O ATOM 951 CB LYS A 59 -5.342 4.286 -8.832 1.00 32.12 C ATOM 952 CG LYS A 59 -5.278 3.888 -10.305 1.00 21.01 C ATOM 953 CD LYS A 59 -5.416 5.098 -11.228 1.00 70.14 C ATOM 954 CE LYS A 59 -4.338 6.145 -10.968 1.00 21.14 C ATOM 955 NZ LYS A 59 -4.540 7.369 -11.784 1.00 65.31 N ATOM 0 H LYS A 59 -5.443 4.629 -6.408 1.00 5.32 H new ATOM 0 HA LYS A 59 -6.289 2.518 -8.018 1.00 54.31 H new ATOM 0 HB2 LYS A 59 -6.226 4.904 -8.674 1.00 32.12 H new ATOM 0 HB3 LYS A 59 -4.475 4.904 -8.598 1.00 32.12 H new ATOM 0 HG2 LYS A 59 -4.332 3.385 -10.505 1.00 21.01 H new ATOM 0 HG3 LYS A 59 -6.071 3.173 -10.523 1.00 21.01 H new ATOM 0 HD2 LYS A 59 -5.359 4.770 -12.266 1.00 70.14 H new ATOM 0 HD3 LYS A 59 -6.399 5.548 -11.090 1.00 70.14 H new ATOM 0 HE2 LYS A 59 -4.338 6.410 -9.911 1.00 21.14 H new ATOM 0 HE3 LYS A 59 -3.359 5.720 -11.189 1.00 21.14 H new ATOM 0 HZ1 LYS A 59 -3.758 8.033 -11.614 1.00 65.31 H new ATOM 0 HZ2 LYS A 59 -4.565 7.114 -12.792 1.00 65.31 H new ATOM 0 HZ3 LYS A 59 -5.439 7.819 -11.519 1.00 65.31 H new ATOM 969 N GLU A 60 -3.047 2.470 -7.480 1.00 53.13 N ATOM 970 CA GLU A 60 -1.854 1.626 -7.608 1.00 40.41 C ATOM 971 C GLU A 60 -1.989 0.342 -6.765 1.00 65.53 C ATOM 972 O GLU A 60 -1.679 -0.759 -7.230 1.00 51.34 O ATOM 973 CB GLU A 60 -0.601 2.419 -7.196 1.00 71.01 C ATOM 974 CG GLU A 60 0.719 1.739 -7.554 1.00 0.24 C ATOM 975 CD GLU A 60 0.843 1.445 -9.043 1.00 51.51 C ATOM 976 OE1 GLU A 60 0.741 2.391 -9.855 1.00 61.21 O ATOM 977 OE2 GLU A 60 1.036 0.271 -9.414 1.00 54.11 O ATOM 0 H GLU A 60 -2.921 3.293 -6.891 1.00 53.13 H new ATOM 0 HA GLU A 60 -1.754 1.328 -8.652 1.00 40.41 H new ATOM 0 HB2 GLU A 60 -0.632 3.399 -7.673 1.00 71.01 H new ATOM 0 HB3 GLU A 60 -0.629 2.587 -6.119 1.00 71.01 H new ATOM 0 HG2 GLU A 60 1.547 2.376 -7.243 1.00 0.24 H new ATOM 0 HG3 GLU A 60 0.806 0.807 -6.995 1.00 0.24 H new ATOM 984 N ALA A 61 -2.477 0.487 -5.531 1.00 61.23 N ATOM 985 CA ALA A 61 -2.694 -0.660 -4.637 1.00 23.32 C ATOM 986 C ALA A 61 -3.668 -1.683 -5.247 1.00 53.33 C ATOM 987 O ALA A 61 -3.487 -2.895 -5.096 1.00 32.14 O ATOM 988 CB ALA A 61 -3.206 -0.178 -3.283 1.00 24.13 C ATOM 0 H ALA A 61 -2.731 1.388 -5.125 1.00 61.23 H new ATOM 0 HA ALA A 61 -1.737 -1.163 -4.501 1.00 23.32 H new ATOM 0 HB1 ALA A 61 -3.364 -1.035 -2.628 1.00 24.13 H new ATOM 0 HB2 ALA A 61 -2.473 0.492 -2.834 1.00 24.13 H new ATOM 0 HB3 ALA A 61 -4.148 0.354 -3.418 1.00 24.13 H new ATOM 994 N GLU A 62 -4.700 -1.184 -5.935 1.00 72.05 N ATOM 995 CA GLU A 62 -5.659 -2.043 -6.645 1.00 44.11 C ATOM 996 C GLU A 62 -4.935 -3.009 -7.598 1.00 74.30 C ATOM 997 O GLU A 62 -5.224 -4.207 -7.627 1.00 60.51 O ATOM 998 CB GLU A 62 -6.661 -1.183 -7.437 1.00 22.42 C ATOM 999 CG GLU A 62 -7.540 -0.279 -6.572 1.00 13.12 C ATOM 1000 CD GLU A 62 -8.650 -1.026 -5.845 1.00 42.35 C ATOM 1001 OE1 GLU A 62 -8.363 -1.717 -4.844 1.00 24.23 O ATOM 1002 OE2 GLU A 62 -9.821 -0.918 -6.271 1.00 60.43 O ATOM 0 H GLU A 62 -4.895 -0.186 -6.017 1.00 72.05 H new ATOM 0 HA GLU A 62 -6.198 -2.631 -5.902 1.00 44.11 H new ATOM 0 HB2 GLU A 62 -6.110 -0.564 -8.145 1.00 22.42 H new ATOM 0 HB3 GLU A 62 -7.303 -1.841 -8.022 1.00 22.42 H new ATOM 0 HG2 GLU A 62 -6.914 0.229 -5.838 1.00 13.12 H new ATOM 0 HG3 GLU A 62 -7.984 0.493 -7.201 1.00 13.12 H new ATOM 1009 N ARG A 63 -3.984 -2.481 -8.370 1.00 44.25 N ATOM 1010 CA ARG A 63 -3.195 -3.301 -9.299 1.00 23.04 C ATOM 1011 C ARG A 63 -2.395 -4.366 -8.537 1.00 24.31 C ATOM 1012 O ARG A 63 -2.439 -5.549 -8.870 1.00 3.43 O ATOM 1013 CB ARG A 63 -2.224 -2.424 -10.102 1.00 75.35 C ATOM 1014 CG ARG A 63 -1.626 -3.128 -11.323 1.00 71.04 C ATOM 1015 CD ARG A 63 -0.244 -2.584 -11.691 1.00 35.14 C ATOM 1016 NE ARG A 63 -0.141 -1.138 -11.501 1.00 13.45 N ATOM 1017 CZ ARG A 63 -0.244 -0.250 -12.450 1.00 54.04 C ATOM 1018 NH1 ARG A 63 -0.512 -0.605 -13.666 1.00 53.55 N ATOM 1019 NH2 ARG A 63 -0.079 1.000 -12.178 1.00 34.13 N ATOM 0 H ARG A 63 -3.739 -1.491 -8.373 1.00 44.25 H new ATOM 0 HA ARG A 63 -3.889 -3.791 -9.981 1.00 23.04 H new ATOM 0 HB2 ARG A 63 -2.747 -1.526 -10.431 1.00 75.35 H new ATOM 0 HB3 ARG A 63 -1.415 -2.100 -9.448 1.00 75.35 H new ATOM 0 HG2 ARG A 63 -1.551 -4.197 -11.122 1.00 71.04 H new ATOM 0 HG3 ARG A 63 -2.298 -3.010 -12.173 1.00 71.04 H new ATOM 0 HD2 ARG A 63 0.512 -3.081 -11.083 1.00 35.14 H new ATOM 0 HD3 ARG A 63 -0.027 -2.827 -12.731 1.00 35.14 H new ATOM 0 HE ARG A 63 0.024 -0.798 -10.554 1.00 13.45 H new ATOM 0 HH11 ARG A 63 -0.646 -1.591 -13.892 1.00 53.55 H new ATOM 0 HH12 ARG A 63 -0.590 0.101 -14.398 1.00 53.55 H new ATOM 0 HH21 ARG A 63 0.131 1.291 -11.223 1.00 34.13 H new ATOM 0 HH22 ARG A 63 -0.159 1.698 -12.918 1.00 34.13 H new ATOM 1033 N LEU A 64 -1.664 -3.924 -7.514 1.00 13.12 N ATOM 1034 CA LEU A 64 -0.841 -4.815 -6.685 1.00 11.44 C ATOM 1035 C LEU A 64 -1.656 -5.999 -6.137 1.00 14.31 C ATOM 1036 O LEU A 64 -1.198 -7.143 -6.150 1.00 73.22 O ATOM 1037 CB LEU A 64 -0.228 -4.018 -5.523 1.00 22.31 C ATOM 1038 CG LEU A 64 0.683 -2.847 -5.936 1.00 31.02 C ATOM 1039 CD1 LEU A 64 1.121 -2.036 -4.715 1.00 14.42 C ATOM 1040 CD2 LEU A 64 1.896 -3.358 -6.708 1.00 30.32 C ATOM 0 H LEU A 64 -1.623 -2.944 -7.235 1.00 13.12 H new ATOM 0 HA LEU A 64 -0.049 -5.222 -7.313 1.00 11.44 H new ATOM 0 HB2 LEU A 64 -1.037 -3.627 -4.906 1.00 22.31 H new ATOM 0 HB3 LEU A 64 0.347 -4.702 -4.899 1.00 22.31 H new ATOM 0 HG LEU A 64 0.112 -2.188 -6.590 1.00 31.02 H new ATOM 0 HD11 LEU A 64 1.763 -1.215 -5.035 1.00 14.42 H new ATOM 0 HD12 LEU A 64 0.242 -1.634 -4.211 1.00 14.42 H new ATOM 0 HD13 LEU A 64 1.670 -2.680 -4.028 1.00 14.42 H new ATOM 0 HD21 LEU A 64 2.528 -2.516 -6.991 1.00 30.32 H new ATOM 0 HD22 LEU A 64 2.465 -4.043 -6.080 1.00 30.32 H new ATOM 0 HD23 LEU A 64 1.563 -3.880 -7.605 1.00 30.32 H new ATOM 1052 N ALA A 65 -2.863 -5.713 -5.657 1.00 24.21 N ATOM 1053 CA ALA A 65 -3.747 -6.753 -5.121 1.00 42.43 C ATOM 1054 C ALA A 65 -4.207 -7.734 -6.210 1.00 52.34 C ATOM 1055 O ALA A 65 -3.983 -8.943 -6.112 1.00 42.01 O ATOM 1056 CB ALA A 65 -4.956 -6.118 -4.445 1.00 12.05 C ATOM 0 H ALA A 65 -3.254 -4.772 -5.627 1.00 24.21 H new ATOM 0 HA ALA A 65 -3.176 -7.321 -4.386 1.00 42.43 H new ATOM 0 HB1 ALA A 65 -5.605 -6.900 -4.051 1.00 12.05 H new ATOM 0 HB2 ALA A 65 -4.622 -5.478 -3.628 1.00 12.05 H new ATOM 0 HB3 ALA A 65 -5.507 -5.521 -5.172 1.00 12.05 H new ATOM 1062 N LYS A 66 -4.840 -7.201 -7.253 1.00 34.04 N ATOM 1063 CA LYS A 66 -5.418 -8.027 -8.323 1.00 34.34 C ATOM 1064 C LYS A 66 -4.351 -8.840 -9.079 1.00 30.23 C ATOM 1065 O LYS A 66 -4.543 -10.023 -9.368 1.00 20.31 O ATOM 1066 CB LYS A 66 -6.184 -7.138 -9.315 1.00 44.44 C ATOM 1067 CG LYS A 66 -7.290 -6.307 -8.670 1.00 53.05 C ATOM 1068 CD LYS A 66 -8.067 -5.489 -9.700 1.00 75.21 C ATOM 1069 CE LYS A 66 -8.758 -6.383 -10.722 1.00 63.11 C ATOM 1070 NZ LYS A 66 -9.714 -7.325 -10.079 1.00 1.31 N ATOM 0 H LYS A 66 -4.968 -6.198 -7.384 1.00 34.04 H new ATOM 0 HA LYS A 66 -6.098 -8.736 -7.850 1.00 34.34 H new ATOM 0 HB2 LYS A 66 -5.479 -6.468 -9.807 1.00 44.44 H new ATOM 0 HB3 LYS A 66 -6.620 -7.767 -10.091 1.00 44.44 H new ATOM 0 HG2 LYS A 66 -7.976 -6.967 -8.139 1.00 53.05 H new ATOM 0 HG3 LYS A 66 -6.854 -5.637 -7.929 1.00 53.05 H new ATOM 0 HD2 LYS A 66 -8.810 -4.875 -9.192 1.00 75.21 H new ATOM 0 HD3 LYS A 66 -7.387 -4.808 -10.212 1.00 75.21 H new ATOM 0 HE2 LYS A 66 -9.289 -5.764 -11.445 1.00 63.11 H new ATOM 0 HE3 LYS A 66 -8.008 -6.948 -11.276 1.00 63.11 H new ATOM 0 HZ1 LYS A 66 -10.307 -7.770 -10.809 1.00 1.31 H new ATOM 0 HZ2 LYS A 66 -9.186 -8.060 -9.567 1.00 1.31 H new ATOM 0 HZ3 LYS A 66 -10.318 -6.805 -9.411 1.00 1.31 H new ATOM 1084 N GLU A 67 -3.226 -8.199 -9.386 1.00 22.52 N ATOM 1085 CA GLU A 67 -2.172 -8.811 -10.206 1.00 33.52 C ATOM 1086 C GLU A 67 -1.576 -10.060 -9.532 1.00 31.52 C ATOM 1087 O GLU A 67 -1.235 -11.040 -10.200 1.00 23.15 O ATOM 1088 CB GLU A 67 -1.057 -7.786 -10.481 1.00 73.42 C ATOM 1089 CG GLU A 67 -0.283 -8.044 -11.769 1.00 75.42 C ATOM 1090 CD GLU A 67 -1.143 -7.835 -13.007 1.00 64.02 C ATOM 1091 OE1 GLU A 67 -1.325 -6.669 -13.420 1.00 63.03 O ATOM 1092 OE2 GLU A 67 -1.647 -8.829 -13.572 1.00 75.53 O ATOM 0 H GLU A 67 -3.016 -7.249 -9.079 1.00 22.52 H new ATOM 0 HA GLU A 67 -2.625 -9.123 -11.147 1.00 33.52 H new ATOM 0 HB2 GLU A 67 -1.496 -6.790 -10.526 1.00 73.42 H new ATOM 0 HB3 GLU A 67 -0.360 -7.789 -9.643 1.00 73.42 H new ATOM 0 HG2 GLU A 67 0.580 -7.380 -11.812 1.00 75.42 H new ATOM 0 HG3 GLU A 67 0.100 -9.064 -11.763 1.00 75.42 H new ATOM 1099 N PHE A 68 -1.445 -10.018 -8.208 1.00 13.43 N ATOM 1100 CA PHE A 68 -0.869 -11.135 -7.449 1.00 32.50 C ATOM 1101 C PHE A 68 -1.944 -11.913 -6.671 1.00 53.14 C ATOM 1102 O PHE A 68 -1.626 -12.796 -5.874 1.00 45.31 O ATOM 1103 CB PHE A 68 0.210 -10.613 -6.489 1.00 51.13 C ATOM 1104 CG PHE A 68 1.336 -9.890 -7.189 1.00 54.51 C ATOM 1105 CD1 PHE A 68 2.428 -10.587 -7.684 1.00 65.13 C ATOM 1106 CD2 PHE A 68 1.298 -8.513 -7.356 1.00 40.04 C ATOM 1107 CE1 PHE A 68 3.456 -9.926 -8.331 1.00 21.23 C ATOM 1108 CE2 PHE A 68 2.325 -7.848 -8.001 1.00 55.44 C ATOM 1109 CZ PHE A 68 3.405 -8.556 -8.489 1.00 20.34 C ATOM 0 H PHE A 68 -1.729 -9.224 -7.635 1.00 13.43 H new ATOM 0 HA PHE A 68 -0.418 -11.826 -8.162 1.00 32.50 H new ATOM 0 HB2 PHE A 68 -0.251 -9.939 -5.767 1.00 51.13 H new ATOM 0 HB3 PHE A 68 0.621 -11.451 -5.926 1.00 51.13 H new ATOM 0 HD1 PHE A 68 2.476 -11.659 -7.563 1.00 65.13 H new ATOM 0 HD2 PHE A 68 0.456 -7.953 -6.977 1.00 40.04 H new ATOM 0 HE1 PHE A 68 4.299 -10.482 -8.713 1.00 21.23 H new ATOM 0 HE2 PHE A 68 2.282 -6.776 -8.123 1.00 55.44 H new ATOM 0 HZ PHE A 68 4.208 -8.039 -8.993 1.00 20.34 H new ATOM 1119 N ASN A 69 -3.218 -11.581 -6.914 1.00 43.12 N ATOM 1120 CA ASN A 69 -4.355 -12.257 -6.263 1.00 60.11 C ATOM 1121 C ASN A 69 -4.286 -12.153 -4.724 1.00 64.30 C ATOM 1122 O ASN A 69 -4.817 -13.006 -4.003 1.00 65.11 O ATOM 1123 CB ASN A 69 -4.427 -13.729 -6.701 1.00 12.25 C ATOM 1124 CG ASN A 69 -4.620 -13.878 -8.201 1.00 62.34 C ATOM 1125 OD1 ASN A 69 -5.741 -13.944 -8.701 1.00 50.43 O ATOM 1126 ND2 ASN A 69 -3.526 -13.930 -8.933 1.00 62.24 N ATOM 0 H ASN A 69 -3.492 -10.842 -7.562 1.00 43.12 H new ATOM 0 HA ASN A 69 -5.264 -11.747 -6.582 1.00 60.11 H new ATOM 0 HB2 ASN A 69 -3.511 -14.239 -6.403 1.00 12.25 H new ATOM 0 HB3 ASN A 69 -5.249 -14.220 -6.181 1.00 12.25 H new ATOM 0 HD21 ASN A 69 -3.594 -14.028 -9.946 1.00 62.24 H new ATOM 0 HD22 ASN A 69 -2.611 -13.872 -8.487 1.00 62.24 H new ATOM 1133 N ILE A 70 -3.653 -11.091 -4.228 1.00 31.53 N ATOM 1134 CA ILE A 70 -3.544 -10.851 -2.784 1.00 43.51 C ATOM 1135 C ILE A 70 -4.642 -9.888 -2.299 1.00 5.34 C ATOM 1136 O ILE A 70 -5.170 -9.085 -3.071 1.00 61.44 O ATOM 1137 CB ILE A 70 -2.144 -10.289 -2.395 1.00 53.13 C ATOM 1138 CG1 ILE A 70 -1.857 -8.972 -3.134 1.00 33.21 C ATOM 1139 CG2 ILE A 70 -1.049 -11.317 -2.681 1.00 41.13 C ATOM 1140 CD1 ILE A 70 -0.495 -8.376 -2.831 1.00 72.23 C ATOM 0 H ILE A 70 -3.205 -10.379 -4.805 1.00 31.53 H new ATOM 0 HA ILE A 70 -3.674 -11.815 -2.293 1.00 43.51 H new ATOM 0 HB ILE A 70 -2.149 -10.083 -1.325 1.00 53.13 H new ATOM 0 HG12 ILE A 70 -1.935 -9.146 -4.207 1.00 33.21 H new ATOM 0 HG13 ILE A 70 -2.626 -8.246 -2.872 1.00 33.21 H new ATOM 0 HG21 ILE A 70 -0.080 -10.903 -2.402 1.00 41.13 H new ATOM 0 HG22 ILE A 70 -1.238 -12.221 -2.102 1.00 41.13 H new ATOM 0 HG23 ILE A 70 -1.047 -11.561 -3.743 1.00 41.13 H new ATOM 0 HD11 ILE A 70 -0.371 -7.449 -3.391 1.00 72.23 H new ATOM 0 HD12 ILE A 70 -0.418 -8.168 -1.764 1.00 72.23 H new ATOM 0 HD13 ILE A 70 0.284 -9.082 -3.120 1.00 72.23 H new ATOM 1152 N THR A 71 -4.987 -9.983 -1.020 1.00 31.31 N ATOM 1153 CA THR A 71 -6.042 -9.144 -0.434 1.00 35.44 C ATOM 1154 C THR A 71 -5.489 -7.815 0.091 1.00 2.11 C ATOM 1155 O THR A 71 -4.388 -7.760 0.643 1.00 2.21 O ATOM 1156 CB THR A 71 -6.767 -9.874 0.721 1.00 52.21 C ATOM 1157 OG1 THR A 71 -5.820 -10.309 1.710 1.00 0.01 O ATOM 1158 CG2 THR A 71 -7.564 -11.066 0.200 1.00 24.02 C ATOM 0 H THR A 71 -4.554 -10.632 -0.363 1.00 31.31 H new ATOM 0 HA THR A 71 -6.751 -8.940 -1.237 1.00 35.44 H new ATOM 0 HB THR A 71 -7.462 -9.171 1.180 1.00 52.21 H new ATOM 0 HG1 THR A 71 -6.292 -10.768 2.436 1.00 0.01 H new ATOM 0 HG21 THR A 71 -8.064 -11.561 1.032 1.00 24.02 H new ATOM 0 HG22 THR A 71 -8.309 -10.720 -0.517 1.00 24.02 H new ATOM 0 HG23 THR A 71 -6.889 -11.769 -0.289 1.00 24.02 H new ATOM 1166 N VAL A 72 -6.268 -6.744 -0.066 1.00 51.11 N ATOM 1167 CA VAL A 72 -5.830 -5.404 0.342 1.00 52.33 C ATOM 1168 C VAL A 72 -6.976 -4.580 0.955 1.00 75.25 C ATOM 1169 O VAL A 72 -8.095 -4.562 0.440 1.00 3.04 O ATOM 1170 CB VAL A 72 -5.232 -4.620 -0.859 1.00 72.41 C ATOM 1171 CG1 VAL A 72 -6.303 -4.324 -1.911 1.00 11.12 C ATOM 1172 CG2 VAL A 72 -4.562 -3.329 -0.389 1.00 52.42 C ATOM 0 H VAL A 72 -7.203 -6.776 -0.471 1.00 51.11 H new ATOM 0 HA VAL A 72 -5.063 -5.552 1.102 1.00 52.33 H new ATOM 0 HB VAL A 72 -4.471 -5.248 -1.322 1.00 72.41 H new ATOM 0 HG11 VAL A 72 -5.857 -3.775 -2.740 1.00 11.12 H new ATOM 0 HG12 VAL A 72 -6.720 -5.261 -2.279 1.00 11.12 H new ATOM 0 HG13 VAL A 72 -7.096 -3.725 -1.464 1.00 11.12 H new ATOM 0 HG21 VAL A 72 -4.151 -2.799 -1.248 1.00 52.42 H new ATOM 0 HG22 VAL A 72 -5.298 -2.698 0.109 1.00 52.42 H new ATOM 0 HG23 VAL A 72 -3.758 -3.569 0.307 1.00 52.42 H new ATOM 1182 N THR A 73 -6.690 -3.904 2.063 1.00 23.34 N ATOM 1183 CA THR A 73 -7.632 -2.944 2.661 1.00 34.13 C ATOM 1184 C THR A 73 -6.929 -1.608 2.913 1.00 44.54 C ATOM 1185 O THR A 73 -5.750 -1.581 3.268 1.00 2.21 O ATOM 1186 CB THR A 73 -8.237 -3.447 3.999 1.00 21.23 C ATOM 1187 OG1 THR A 73 -7.209 -3.621 4.982 1.00 42.54 O ATOM 1188 CG2 THR A 73 -8.985 -4.762 3.807 1.00 72.34 C ATOM 0 H THR A 73 -5.811 -3.999 2.572 1.00 23.34 H new ATOM 0 HA THR A 73 -8.448 -2.825 1.948 1.00 34.13 H new ATOM 0 HB THR A 73 -8.943 -2.692 4.345 1.00 21.23 H new ATOM 0 HG1 THR A 73 -7.608 -3.937 5.820 1.00 42.54 H new ATOM 0 HG21 THR A 73 -9.397 -5.089 4.762 1.00 72.34 H new ATOM 0 HG22 THR A 73 -9.795 -4.619 3.092 1.00 72.34 H new ATOM 0 HG23 THR A 73 -8.298 -5.520 3.430 1.00 72.34 H new ATOM 1196 N TYR A 74 -7.640 -0.500 2.719 1.00 54.31 N ATOM 1197 CA TYR A 74 -7.047 0.825 2.917 1.00 3.32 C ATOM 1198 C TYR A 74 -7.932 1.736 3.782 1.00 50.11 C ATOM 1199 O TYR A 74 -9.048 2.099 3.400 1.00 2.43 O ATOM 1200 CB TYR A 74 -6.715 1.488 1.563 1.00 43.10 C ATOM 1201 CG TYR A 74 -7.861 1.539 0.558 1.00 1.21 C ATOM 1202 CD1 TYR A 74 -8.189 0.424 -0.211 1.00 64.14 C ATOM 1203 CD2 TYR A 74 -8.592 2.709 0.356 1.00 43.41 C ATOM 1204 CE1 TYR A 74 -9.212 0.473 -1.143 1.00 23.33 C ATOM 1205 CE2 TYR A 74 -9.611 2.763 -0.577 1.00 44.32 C ATOM 1206 CZ TYR A 74 -9.918 1.645 -1.323 1.00 41.23 C ATOM 1207 OH TYR A 74 -10.932 1.702 -2.258 1.00 73.24 O ATOM 0 H TYR A 74 -8.618 -0.489 2.428 1.00 54.31 H new ATOM 0 HA TYR A 74 -6.115 0.681 3.464 1.00 3.32 H new ATOM 0 HB2 TYR A 74 -6.374 2.506 1.751 1.00 43.10 H new ATOM 0 HB3 TYR A 74 -5.881 0.951 1.110 1.00 43.10 H new ATOM 0 HD1 TYR A 74 -7.636 -0.494 -0.078 1.00 64.14 H new ATOM 0 HD2 TYR A 74 -8.358 3.588 0.938 1.00 43.41 H new ATOM 0 HE1 TYR A 74 -9.456 -0.402 -1.727 1.00 23.33 H new ATOM 0 HE2 TYR A 74 -10.165 3.679 -0.721 1.00 44.32 H new ATOM 0 HH TYR A 74 -11.328 2.599 -2.257 1.00 73.24 H new ATOM 1217 N THR A 75 -7.416 2.098 4.957 1.00 72.34 N ATOM 1218 CA THR A 75 -8.115 2.997 5.886 1.00 62.14 C ATOM 1219 C THR A 75 -7.493 4.397 5.845 1.00 30.34 C ATOM 1220 O THR A 75 -6.288 4.557 6.044 1.00 11.25 O ATOM 1221 CB THR A 75 -8.072 2.460 7.339 1.00 74.22 C ATOM 1222 OG1 THR A 75 -8.712 1.175 7.411 1.00 20.12 O ATOM 1223 CG2 THR A 75 -8.758 3.420 8.310 1.00 31.13 C ATOM 0 H THR A 75 -6.507 1.780 5.294 1.00 72.34 H new ATOM 0 HA THR A 75 -9.156 3.048 5.567 1.00 62.14 H new ATOM 0 HB THR A 75 -7.024 2.368 7.625 1.00 74.22 H new ATOM 0 HG1 THR A 75 -8.678 0.844 8.333 1.00 20.12 H new ATOM 0 HG21 THR A 75 -8.710 3.012 9.320 1.00 31.13 H new ATOM 0 HG22 THR A 75 -8.254 4.386 8.284 1.00 31.13 H new ATOM 0 HG23 THR A 75 -9.801 3.547 8.020 1.00 31.13 H new ATOM 1231 N ILE A 76 -8.315 5.410 5.585 1.00 52.23 N ATOM 1232 CA ILE A 76 -7.819 6.780 5.404 1.00 21.32 C ATOM 1233 C ILE A 76 -8.390 7.748 6.451 1.00 33.34 C ATOM 1234 O ILE A 76 -9.571 7.683 6.803 1.00 64.10 O ATOM 1235 CB ILE A 76 -8.168 7.303 3.987 1.00 3.11 C ATOM 1236 CG1 ILE A 76 -7.664 6.314 2.927 1.00 62.05 C ATOM 1237 CG2 ILE A 76 -7.576 8.696 3.754 1.00 71.35 C ATOM 1238 CD1 ILE A 76 -7.953 6.732 1.503 1.00 73.53 C ATOM 0 H ILE A 76 -9.326 5.313 5.494 1.00 52.23 H new ATOM 0 HA ILE A 76 -6.737 6.740 5.530 1.00 21.32 H new ATOM 0 HB ILE A 76 -9.252 7.386 3.905 1.00 3.11 H new ATOM 0 HG12 ILE A 76 -6.588 6.188 3.046 1.00 62.05 H new ATOM 0 HG13 ILE A 76 -8.120 5.341 3.108 1.00 62.05 H new ATOM 0 HG21 ILE A 76 -7.836 9.039 2.753 1.00 71.35 H new ATOM 0 HG22 ILE A 76 -7.979 9.390 4.491 1.00 71.35 H new ATOM 0 HG23 ILE A 76 -6.491 8.651 3.852 1.00 71.35 H new ATOM 0 HD11 ILE A 76 -7.565 5.979 0.817 1.00 73.53 H new ATOM 0 HD12 ILE A 76 -9.030 6.829 1.364 1.00 73.53 H new ATOM 0 HD13 ILE A 76 -7.473 7.690 1.300 1.00 73.53 H new ATOM 1250 N ARG A 77 -7.539 8.651 6.942 1.00 31.11 N ATOM 1251 CA ARG A 77 -7.970 9.711 7.862 1.00 25.34 C ATOM 1252 C ARG A 77 -7.544 11.093 7.335 1.00 51.10 C ATOM 1253 O ARG A 77 -6.388 11.300 6.955 1.00 13.53 O ATOM 1254 CB ARG A 77 -7.421 9.471 9.278 1.00 24.40 C ATOM 1255 CG ARG A 77 -5.897 9.430 9.375 1.00 22.32 C ATOM 1256 CD ARG A 77 -5.435 9.257 10.820 1.00 62.42 C ATOM 1257 NE ARG A 77 -3.980 9.315 10.950 1.00 3.01 N ATOM 1258 CZ ARG A 77 -3.351 9.905 11.934 1.00 41.14 C ATOM 1259 NH1 ARG A 77 -4.008 10.466 12.901 1.00 20.42 N ATOM 1260 NH2 ARG A 77 -2.058 9.908 11.966 1.00 2.31 N ATOM 0 H ARG A 77 -6.544 8.671 6.718 1.00 31.11 H new ATOM 0 HA ARG A 77 -9.058 9.688 7.918 1.00 25.34 H new ATOM 0 HB2 ARG A 77 -7.792 10.258 9.935 1.00 24.40 H new ATOM 0 HB3 ARG A 77 -7.821 8.529 9.653 1.00 24.40 H new ATOM 0 HG2 ARG A 77 -5.514 8.609 8.768 1.00 22.32 H new ATOM 0 HG3 ARG A 77 -5.480 10.350 8.966 1.00 22.32 H new ATOM 0 HD2 ARG A 77 -5.884 10.035 11.438 1.00 62.42 H new ATOM 0 HD3 ARG A 77 -5.793 8.301 11.201 1.00 62.42 H new ATOM 0 HE ARG A 77 -3.419 8.866 10.226 1.00 3.01 H new ATOM 0 HH11 ARG A 77 -5.028 10.451 12.901 1.00 20.42 H new ATOM 0 HH12 ARG A 77 -3.505 10.922 13.662 1.00 20.42 H new ATOM 0 HH21 ARG A 77 -1.528 9.450 11.224 1.00 2.31 H new ATOM 0 HH22 ARG A 77 -1.568 10.368 12.733 1.00 2.31 H new ATOM 1274 N LEU A 78 -8.485 12.035 7.316 1.00 42.35 N ATOM 1275 CA LEU A 78 -8.253 13.353 6.710 1.00 52.11 C ATOM 1276 C LEU A 78 -8.761 14.510 7.591 1.00 72.40 C ATOM 1277 O LEU A 78 -9.463 14.296 8.586 1.00 55.02 O ATOM 1278 CB LEU A 78 -8.890 13.406 5.304 1.00 60.33 C ATOM 1279 CG LEU A 78 -10.340 12.885 5.187 1.00 4.02 C ATOM 1280 CD1 LEU A 78 -11.338 13.822 5.869 1.00 61.05 C ATOM 1281 CD2 LEU A 78 -10.713 12.675 3.720 1.00 30.22 C ATOM 0 H LEU A 78 -9.417 11.914 7.712 1.00 42.35 H new ATOM 0 HA LEU A 78 -7.175 13.487 6.621 1.00 52.11 H new ATOM 0 HB2 LEU A 78 -8.869 14.439 4.958 1.00 60.33 H new ATOM 0 HB3 LEU A 78 -8.264 12.829 4.623 1.00 60.33 H new ATOM 0 HG LEU A 78 -10.389 11.927 5.704 1.00 4.02 H new ATOM 0 HD11 LEU A 78 -12.345 13.419 5.764 1.00 61.05 H new ATOM 0 HD12 LEU A 78 -11.091 13.909 6.927 1.00 61.05 H new ATOM 0 HD13 LEU A 78 -11.290 14.806 5.403 1.00 61.05 H new ATOM 0 HD21 LEU A 78 -11.737 12.308 3.654 1.00 30.22 H new ATOM 0 HD22 LEU A 78 -10.631 13.621 3.185 1.00 30.22 H new ATOM 0 HD23 LEU A 78 -10.037 11.946 3.273 1.00 30.22 H new ATOM 1293 N GLU A 79 -8.381 15.735 7.222 1.00 30.21 N ATOM 1294 CA GLU A 79 -8.797 16.941 7.947 1.00 22.43 C ATOM 1295 C GLU A 79 -10.313 17.192 7.824 1.00 75.15 C ATOM 1296 O GLU A 79 -10.770 17.920 6.939 1.00 71.35 O ATOM 1297 CB GLU A 79 -8.016 18.156 7.416 1.00 74.41 C ATOM 1298 CG GLU A 79 -6.507 18.062 7.632 1.00 45.22 C ATOM 1299 CD GLU A 79 -5.728 19.111 6.849 1.00 61.52 C ATOM 1300 OE1 GLU A 79 -5.973 20.319 7.051 1.00 33.04 O ATOM 1301 OE2 GLU A 79 -4.867 18.728 6.026 1.00 64.12 O ATOM 0 H GLU A 79 -7.781 15.920 6.418 1.00 30.21 H new ATOM 0 HA GLU A 79 -8.576 16.791 9.004 1.00 22.43 H new ATOM 0 HB2 GLU A 79 -8.215 18.266 6.350 1.00 74.41 H new ATOM 0 HB3 GLU A 79 -8.388 19.057 7.904 1.00 74.41 H new ATOM 0 HG2 GLU A 79 -6.290 18.174 8.694 1.00 45.22 H new ATOM 0 HG3 GLU A 79 -6.165 17.069 7.339 1.00 45.22 H new ATOM 1308 N HIS A 80 -11.093 16.562 8.703 1.00 4.24 N ATOM 1309 CA HIS A 80 -12.547 16.764 8.731 1.00 5.15 C ATOM 1310 C HIS A 80 -12.903 18.150 9.300 1.00 12.10 C ATOM 1311 O HIS A 80 -12.477 18.512 10.398 1.00 32.23 O ATOM 1312 CB HIS A 80 -13.232 15.652 9.544 1.00 52.22 C ATOM 1313 CG HIS A 80 -12.791 15.577 10.976 1.00 41.01 C ATOM 1314 ND1 HIS A 80 -13.539 16.074 12.023 1.00 73.10 N ATOM 1315 CD2 HIS A 80 -11.675 15.050 11.539 1.00 24.23 C ATOM 1316 CE1 HIS A 80 -12.906 15.860 13.157 1.00 2.44 C ATOM 1317 NE2 HIS A 80 -11.775 15.241 12.893 1.00 62.10 N ATOM 0 H HIS A 80 -10.746 15.908 9.405 1.00 4.24 H new ATOM 0 HA HIS A 80 -12.913 16.718 7.705 1.00 5.15 H new ATOM 0 HB2 HIS A 80 -14.310 15.808 9.515 1.00 52.22 H new ATOM 0 HB3 HIS A 80 -13.036 14.693 9.064 1.00 52.22 H new ATOM 0 HD2 HIS A 80 -10.860 14.570 11.018 1.00 24.23 H new ATOM 0 HE1 HIS A 80 -13.256 16.144 14.138 1.00 2.44 H new ATOM 0 HE2 HIS A 80 -11.084 14.950 13.585 1.00 62.10 H new ATOM 1326 N HIS A 81 -13.686 18.919 8.548 1.00 74.31 N ATOM 1327 CA HIS A 81 -14.021 20.297 8.925 1.00 63.24 C ATOM 1328 C HIS A 81 -15.114 20.358 10.007 1.00 3.14 C ATOM 1329 O HIS A 81 -15.968 19.475 10.102 1.00 5.32 O ATOM 1330 CB HIS A 81 -14.457 21.091 7.687 1.00 34.34 C ATOM 1331 CG HIS A 81 -13.402 21.151 6.623 1.00 13.34 C ATOM 1332 ND1 HIS A 81 -13.670 20.991 5.281 1.00 0.44 N ATOM 1333 CD2 HIS A 81 -12.068 21.365 6.708 1.00 64.55 C ATOM 1334 CE1 HIS A 81 -12.554 21.097 4.592 1.00 11.33 C ATOM 1335 NE2 HIS A 81 -11.568 21.327 5.433 1.00 70.12 N ATOM 0 H HIS A 81 -14.104 18.613 7.669 1.00 74.31 H new ATOM 0 HA HIS A 81 -13.122 20.745 9.349 1.00 63.24 H new ATOM 0 HB2 HIS A 81 -15.358 20.639 7.272 1.00 34.34 H new ATOM 0 HB3 HIS A 81 -14.719 22.105 7.987 1.00 34.34 H new ATOM 0 HD2 HIS A 81 -11.503 21.534 7.613 1.00 64.55 H new ATOM 0 HE1 HIS A 81 -12.463 21.010 3.519 1.00 11.33 H new ATOM 0 HE2 HIS A 81 -10.589 21.456 5.177 1.00 70.12 H new ATOM 1344 N HIS A 82 -15.074 21.417 10.812 1.00 5.11 N ATOM 1345 CA HIS A 82 -16.019 21.613 11.918 1.00 43.43 C ATOM 1346 C HIS A 82 -17.073 22.675 11.563 1.00 11.11 C ATOM 1347 O HIS A 82 -16.773 23.865 11.528 1.00 13.53 O ATOM 1348 CB HIS A 82 -15.240 22.039 13.170 1.00 10.32 C ATOM 1349 CG HIS A 82 -16.075 22.158 14.408 1.00 65.20 C ATOM 1350 ND1 HIS A 82 -16.264 21.114 15.289 1.00 53.51 N ATOM 1351 CD2 HIS A 82 -16.755 23.208 14.926 1.00 4.42 C ATOM 1352 CE1 HIS A 82 -17.019 21.516 16.290 1.00 40.12 C ATOM 1353 NE2 HIS A 82 -17.331 22.779 16.094 1.00 62.14 N ATOM 0 H HIS A 82 -14.387 22.165 10.719 1.00 5.11 H new ATOM 0 HA HIS A 82 -16.542 20.676 12.107 1.00 43.43 H new ATOM 0 HB2 HIS A 82 -14.444 21.316 13.351 1.00 10.32 H new ATOM 0 HB3 HIS A 82 -14.761 22.999 12.976 1.00 10.32 H new ATOM 0 HD2 HIS A 82 -16.830 24.197 14.499 1.00 4.42 H new ATOM 0 HE1 HIS A 82 -17.329 20.912 17.129 1.00 40.12 H new ATOM 0 HE2 HIS A 82 -17.909 23.348 16.712 1.00 62.14 H new ATOM 1362 N HIS A 83 -18.310 22.245 11.298 1.00 3.35 N ATOM 1363 CA HIS A 83 -19.384 23.172 10.897 1.00 42.05 C ATOM 1364 C HIS A 83 -20.486 23.304 11.969 1.00 14.41 C ATOM 1365 O HIS A 83 -20.549 24.311 12.674 1.00 24.24 O ATOM 1366 CB HIS A 83 -20.000 22.734 9.559 1.00 72.12 C ATOM 1367 CG HIS A 83 -19.058 22.828 8.395 1.00 73.51 C ATOM 1368 ND1 HIS A 83 -19.321 22.264 7.166 1.00 34.44 N ATOM 1369 CD2 HIS A 83 -17.854 23.439 8.271 1.00 43.55 C ATOM 1370 CE1 HIS A 83 -18.324 22.518 6.344 1.00 32.13 C ATOM 1371 NE2 HIS A 83 -17.423 23.230 6.986 1.00 43.21 N ATOM 0 H HIS A 83 -18.596 21.267 11.352 1.00 3.35 H new ATOM 0 HA HIS A 83 -18.926 24.154 10.783 1.00 42.05 H new ATOM 0 HB2 HIS A 83 -20.348 21.705 9.650 1.00 72.12 H new ATOM 0 HB3 HIS A 83 -20.876 23.349 9.355 1.00 72.12 H new ATOM 0 HD2 HIS A 83 -17.332 23.988 9.041 1.00 43.55 H new ATOM 0 HE1 HIS A 83 -18.257 22.196 5.315 1.00 32.13 H new ATOM 0 HE2 HIS A 83 -16.546 23.571 6.592 1.00 43.21 H new ATOM 1380 N HIS A 84 -21.348 22.286 12.083 1.00 41.24 N ATOM 1381 CA HIS A 84 -22.526 22.346 12.969 1.00 24.53 C ATOM 1382 C HIS A 84 -23.495 23.462 12.536 1.00 2.13 C ATOM 1383 O HIS A 84 -24.135 24.109 13.366 1.00 63.42 O ATOM 1384 CB HIS A 84 -22.107 22.539 14.437 1.00 51.05 C ATOM 1385 CG HIS A 84 -21.475 21.326 15.045 1.00 12.01 C ATOM 1386 ND1 HIS A 84 -22.189 20.386 15.753 1.00 23.14 N ATOM 1387 CD2 HIS A 84 -20.192 20.898 15.049 1.00 51.03 C ATOM 1388 CE1 HIS A 84 -21.376 19.439 16.170 1.00 4.44 C ATOM 1389 NE2 HIS A 84 -20.159 19.723 15.757 1.00 33.53 N ATOM 0 H HIS A 84 -21.255 21.407 11.573 1.00 41.24 H new ATOM 0 HA HIS A 84 -23.046 21.392 12.884 1.00 24.53 H new ATOM 0 HB2 HIS A 84 -21.408 23.373 14.500 1.00 51.05 H new ATOM 0 HB3 HIS A 84 -22.984 22.814 15.023 1.00 51.05 H new ATOM 0 HD2 HIS A 84 -19.351 21.389 14.582 1.00 51.03 H new ATOM 0 HE1 HIS A 84 -21.659 18.575 16.753 1.00 4.44 H new ATOM 0 HE2 HIS A 84 -19.327 19.161 15.934 1.00 33.53 H new ATOM 1398 N HIS A 85 -23.602 23.665 11.221 1.00 72.15 N ATOM 1399 CA HIS A 85 -24.510 24.673 10.644 1.00 72.13 C ATOM 1400 C HIS A 85 -25.337 24.083 9.486 1.00 12.44 C ATOM 1401 O HIS A 85 -26.435 23.541 9.745 1.00 37.96 O ATOM 1402 CB HIS A 85 -23.716 25.900 10.165 1.00 60.04 C ATOM 1403 CG HIS A 85 -23.060 26.661 11.277 1.00 44.24 C ATOM 1404 ND1 HIS A 85 -21.706 26.916 11.330 1.00 13.50 N ATOM 1405 CD2 HIS A 85 -23.586 27.233 12.385 1.00 73.24 C ATOM 1406 CE1 HIS A 85 -21.431 27.607 12.415 1.00 72.41 C ATOM 1407 NE2 HIS A 85 -22.551 27.814 13.073 1.00 51.22 N ATOM 1408 OXT HIS A 85 -24.873 24.133 8.326 1.00 37.96 O ATOM 0 H HIS A 85 -23.068 23.142 10.526 1.00 72.15 H new ATOM 0 HA HIS A 85 -25.202 24.986 11.425 1.00 72.13 H new ATOM 0 HB2 HIS A 85 -22.952 25.575 9.458 1.00 60.04 H new ATOM 0 HB3 HIS A 85 -24.387 26.568 9.625 1.00 60.04 H new ATOM 0 HD2 HIS A 85 -24.627 27.232 12.674 1.00 73.24 H new ATOM 0 HE1 HIS A 85 -20.451 27.947 12.715 1.00 72.41 H new ATOM 0 HE2 HIS A 85 -22.636 28.324 13.952 1.00 51.22 H new TER 1417 HIS A 85