USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 713 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 118 MET CE :methyl 180:sc= -0.592 (180deg=-0.385) USER MOD Set 1.2: A 138 THR OG1 : rot -140:sc= -0.198 USER MOD Single : A 90 SER OG : rot -120:sc= -0.072 USER MOD Single : A 92 ASN : amide:sc= -0.0602 X(o=-0.06,f=-0.31) USER MOD Single : A 94 SER OG : rot -59:sc= 0.0232 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot 172:sc= -2.93 USER MOD Single : A 123 ASN : amide:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : A 125 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.9!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 MET CE :methyl -116:sc= -2.53 (180deg=-9.38!) USER MOD Single : A 129 THR OG1 : rot -150:sc= -0.497 USER MOD Single : A 140 THR OG1 : rot -170:sc= -0.545 USER MOD Single : A 141 HIS : no HE2:sc= -0.452 X(o=-0.45,f=-0.31) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 ASN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 147 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.28) USER MOD Single : A 149 CYS SG : rot 101:sc= -0.0288 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 HIS : no HD1:sc= -1.66 X(o=-1.7,f=-1.3) USER MOD Single : A 166 THR OG1 : rot 180:sc= 0 USER MOD Single : A 171 ASN : amide:sc= 0.0761 X(o=0.076,f=0) USER MOD Single : A 178 THR OG1 : rot 41:sc= 0.172 USER MOD Single : A 179 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 86 7.335 -21.720 -16.485 1.00 12.03 N ATOM 2 CA GLY A 86 7.843 -20.361 -16.482 1.00 10.03 C ATOM 3 C GLY A 86 6.736 -19.328 -16.401 1.00 24.11 C ATOM 4 O GLY A 86 6.451 -18.616 -17.364 1.00 23.11 O ATOM 0 HA2 GLY A 86 8.519 -20.231 -15.637 1.00 10.03 H new ATOM 0 HA3 GLY A 86 8.427 -20.193 -17.387 1.00 10.03 H new ATOM 8 N PRO A 87 6.091 -19.237 -15.229 1.00 21.12 N ATOM 9 CA PRO A 87 4.998 -18.287 -14.999 1.00 0.12 C ATOM 10 C PRO A 87 5.486 -16.843 -14.955 1.00 73.22 C ATOM 11 O PRO A 87 4.782 -15.927 -15.381 1.00 54.53 O ATOM 12 CB PRO A 87 4.445 -18.707 -13.635 1.00 13.14 C ATOM 13 CG PRO A 87 5.587 -19.378 -12.952 1.00 55.35 C ATOM 14 CD PRO A 87 6.378 -20.054 -14.038 1.00 60.20 C ATOM 0 HA PRO A 87 4.259 -18.313 -15.800 1.00 0.12 H new ATOM 0 HB2 PRO A 87 4.096 -17.845 -13.067 1.00 13.14 H new ATOM 0 HB3 PRO A 87 3.596 -19.382 -13.743 1.00 13.14 H new ATOM 0 HG2 PRO A 87 6.200 -18.655 -12.415 1.00 55.35 H new ATOM 0 HG3 PRO A 87 5.232 -20.102 -12.219 1.00 55.35 H new ATOM 0 HD2 PRO A 87 7.443 -20.069 -13.809 1.00 60.20 H new ATOM 0 HD3 PRO A 87 6.067 -21.089 -14.177 1.00 60.20 H new ATOM 22 N LEU A 88 6.693 -16.646 -14.437 1.00 42.12 N ATOM 23 CA LEU A 88 7.274 -15.313 -14.338 1.00 2.35 C ATOM 24 C LEU A 88 6.417 -14.408 -13.458 1.00 31.12 C ATOM 25 O LEU A 88 5.299 -14.765 -13.087 1.00 65.10 O ATOM 26 CB LEU A 88 7.425 -14.695 -15.729 1.00 24.30 C ATOM 27 CG LEU A 88 8.850 -14.611 -16.275 1.00 2.31 C ATOM 28 CD1 LEU A 88 8.870 -14.915 -17.765 1.00 51.50 C ATOM 29 CD2 LEU A 88 9.446 -13.237 -16.001 1.00 41.12 C ATOM 0 H LEU A 88 7.288 -17.393 -14.079 1.00 42.12 H new ATOM 0 HA LEU A 88 8.259 -15.407 -13.880 1.00 2.35 H new ATOM 0 HB2 LEU A 88 6.823 -15.274 -16.429 1.00 24.30 H new ATOM 0 HB3 LEU A 88 7.007 -13.689 -15.705 1.00 24.30 H new ATOM 0 HG LEU A 88 9.459 -15.358 -15.765 1.00 2.31 H new ATOM 0 HD11 LEU A 88 9.893 -14.850 -18.136 1.00 51.50 H new ATOM 0 HD12 LEU A 88 8.485 -15.920 -17.936 1.00 51.50 H new ATOM 0 HD13 LEU A 88 8.247 -14.193 -18.292 1.00 51.50 H new ATOM 0 HD21 LEU A 88 10.461 -13.195 -16.397 1.00 41.12 H new ATOM 0 HD22 LEU A 88 8.837 -12.473 -16.484 1.00 41.12 H new ATOM 0 HD23 LEU A 88 9.468 -13.058 -14.926 1.00 41.12 H new ATOM 41 N GLY A 89 6.948 -13.235 -13.128 1.00 61.11 N ATOM 42 CA GLY A 89 6.217 -12.297 -12.297 1.00 64.10 C ATOM 43 C GLY A 89 5.696 -11.109 -13.082 1.00 23.41 C ATOM 44 O GLY A 89 4.824 -11.257 -13.938 1.00 3.21 O ATOM 0 H GLY A 89 7.872 -12.918 -13.422 1.00 61.11 H new ATOM 0 HA2 GLY A 89 5.380 -12.811 -11.824 1.00 64.10 H new ATOM 0 HA3 GLY A 89 6.867 -11.943 -11.497 1.00 64.10 H new ATOM 48 N SER A 90 6.230 -9.928 -12.788 1.00 3.10 N ATOM 49 CA SER A 90 5.810 -8.709 -13.470 1.00 14.44 C ATOM 50 C SER A 90 6.998 -7.782 -13.705 1.00 53.43 C ATOM 51 O SER A 90 7.397 -7.029 -12.818 1.00 3.40 O ATOM 52 CB SER A 90 4.738 -7.985 -12.651 1.00 63.22 C ATOM 53 OG SER A 90 4.180 -6.907 -13.381 1.00 44.21 O ATOM 0 H SER A 90 6.954 -9.789 -12.083 1.00 3.10 H new ATOM 0 HA SER A 90 5.392 -8.988 -14.437 1.00 14.44 H new ATOM 0 HB2 SER A 90 3.951 -8.687 -12.375 1.00 63.22 H new ATOM 0 HB3 SER A 90 5.174 -7.613 -11.724 1.00 63.22 H new ATOM 0 HG SER A 90 4.331 -6.070 -12.895 1.00 44.21 H new ATOM 59 N GLU A 91 7.558 -7.843 -14.910 1.00 52.21 N ATOM 60 CA GLU A 91 8.701 -7.009 -15.263 1.00 30.33 C ATOM 61 C GLU A 91 9.894 -7.310 -14.360 1.00 31.12 C ATOM 62 O GLU A 91 9.770 -8.027 -13.368 1.00 72.32 O ATOM 63 CB GLU A 91 8.331 -5.528 -15.161 1.00 31.03 C ATOM 64 CG GLU A 91 8.213 -4.835 -16.508 1.00 1.01 C ATOM 65 CD GLU A 91 7.161 -3.744 -16.513 1.00 34.13 C ATOM 66 OE1 GLU A 91 7.270 -2.812 -15.689 1.00 2.24 O ATOM 67 OE2 GLU A 91 6.227 -3.822 -17.338 1.00 42.51 O ATOM 0 H GLU A 91 7.239 -8.460 -15.657 1.00 52.21 H new ATOM 0 HA GLU A 91 8.980 -7.236 -16.292 1.00 30.33 H new ATOM 0 HB2 GLU A 91 7.384 -5.435 -14.630 1.00 31.03 H new ATOM 0 HB3 GLU A 91 9.084 -5.015 -14.563 1.00 31.03 H new ATOM 0 HG2 GLU A 91 9.178 -4.405 -16.777 1.00 1.01 H new ATOM 0 HG3 GLU A 91 7.969 -5.573 -17.272 1.00 1.01 H new ATOM 74 N ASN A 92 11.050 -6.757 -14.712 1.00 43.04 N ATOM 75 CA ASN A 92 12.266 -6.967 -13.935 1.00 42.24 C ATOM 76 C ASN A 92 13.152 -5.726 -13.967 1.00 2.43 C ATOM 77 O ASN A 92 13.411 -5.162 -15.030 1.00 41.41 O ATOM 78 CB ASN A 92 13.038 -8.173 -14.474 1.00 61.21 C ATOM 79 CG ASN A 92 13.464 -7.989 -15.918 1.00 71.12 C ATOM 80 OD1 ASN A 92 12.637 -8.026 -16.830 1.00 30.34 O ATOM 81 ND2 ASN A 92 14.759 -7.790 -16.133 1.00 22.01 N ATOM 0 H ASN A 92 11.170 -6.160 -15.530 1.00 43.04 H new ATOM 0 HA ASN A 92 11.979 -7.160 -12.901 1.00 42.24 H new ATOM 0 HB2 ASN A 92 13.920 -8.342 -13.857 1.00 61.21 H new ATOM 0 HB3 ASN A 92 12.417 -9.065 -14.392 1.00 61.21 H new ATOM 0 HD21 ASN A 92 15.104 -7.660 -17.084 1.00 22.01 H new ATOM 0 HD22 ASN A 92 15.409 -7.767 -15.347 1.00 22.01 H new ATOM 88 N ARG A 93 13.616 -5.307 -12.793 1.00 54.22 N ATOM 89 CA ARG A 93 14.473 -4.132 -12.685 1.00 61.45 C ATOM 90 C ARG A 93 13.750 -2.884 -13.183 1.00 54.32 C ATOM 91 O ARG A 93 12.656 -2.969 -13.742 1.00 63.21 O ATOM 92 CB ARG A 93 15.761 -4.341 -13.484 1.00 4.52 C ATOM 93 CG ARG A 93 17.025 -4.150 -12.660 1.00 42.03 C ATOM 94 CD ARG A 93 18.227 -4.801 -13.327 1.00 22.12 C ATOM 95 NE ARG A 93 18.092 -6.253 -13.401 1.00 44.10 N ATOM 96 CZ ARG A 93 18.830 -7.020 -14.194 1.00 43.35 C ATOM 97 NH1 ARG A 93 19.752 -6.476 -14.979 1.00 14.44 N ATOM 98 NH2 ARG A 93 18.649 -8.335 -14.206 1.00 0.31 N ATOM 0 H ARG A 93 13.413 -5.764 -11.904 1.00 54.22 H new ATOM 0 HA ARG A 93 14.723 -3.990 -11.634 1.00 61.45 H new ATOM 0 HB2 ARG A 93 15.759 -5.347 -13.904 1.00 4.52 H new ATOM 0 HB3 ARG A 93 15.775 -3.645 -14.323 1.00 4.52 H new ATOM 0 HG2 ARG A 93 17.215 -3.085 -12.524 1.00 42.03 H new ATOM 0 HG3 ARG A 93 16.882 -4.577 -11.668 1.00 42.03 H new ATOM 0 HD2 ARG A 93 18.347 -4.396 -14.332 1.00 22.12 H new ATOM 0 HD3 ARG A 93 19.130 -4.549 -12.772 1.00 22.12 H new ATOM 0 HE ARG A 93 17.392 -6.703 -12.811 1.00 44.10 H new ATOM 0 HH11 ARG A 93 19.895 -5.466 -14.974 1.00 14.44 H new ATOM 0 HH12 ARG A 93 20.318 -7.068 -15.587 1.00 14.44 H new ATOM 0 HH21 ARG A 93 17.942 -8.758 -13.605 1.00 0.31 H new ATOM 0 HH22 ARG A 93 19.217 -8.922 -14.816 1.00 0.31 H new ATOM 112 N SER A 94 14.368 -1.726 -12.976 1.00 31.45 N ATOM 113 CA SER A 94 13.781 -0.459 -13.399 1.00 21.41 C ATOM 114 C SER A 94 12.358 -0.316 -12.867 1.00 2.32 C ATOM 115 O SER A 94 11.416 -0.103 -13.630 1.00 3.44 O ATOM 116 CB SER A 94 13.780 -0.359 -14.925 1.00 11.25 C ATOM 117 OG SER A 94 13.544 0.972 -15.348 1.00 2.53 O ATOM 0 H SER A 94 15.275 -1.638 -12.518 1.00 31.45 H new ATOM 0 HA SER A 94 14.386 0.350 -12.989 1.00 21.41 H new ATOM 0 HB2 SER A 94 14.737 -0.704 -15.316 1.00 11.25 H new ATOM 0 HB3 SER A 94 13.013 -1.016 -15.335 1.00 11.25 H new ATOM 0 HG SER A 94 12.678 1.276 -15.004 1.00 2.53 H new ATOM 123 N LYS A 95 12.211 -0.432 -11.551 1.00 71.35 N ATOM 124 CA LYS A 95 10.904 -0.314 -10.915 1.00 5.01 C ATOM 125 C LYS A 95 11.050 -0.047 -9.420 1.00 61.44 C ATOM 126 O LYS A 95 11.135 -0.978 -8.618 1.00 4.03 O ATOM 127 CB LYS A 95 10.087 -1.589 -11.139 1.00 5.15 C ATOM 128 CG LYS A 95 8.743 -1.582 -10.431 1.00 64.15 C ATOM 129 CD LYS A 95 8.016 -2.905 -10.604 1.00 33.03 C ATOM 130 CE LYS A 95 8.626 -3.994 -9.735 1.00 11.00 C ATOM 131 NZ LYS A 95 8.878 -5.243 -10.506 1.00 3.31 N ATOM 0 H LYS A 95 12.980 -0.607 -10.905 1.00 71.35 H new ATOM 0 HA LYS A 95 10.382 0.528 -11.368 1.00 5.01 H new ATOM 0 HB2 LYS A 95 9.924 -1.723 -12.208 1.00 5.15 H new ATOM 0 HB3 LYS A 95 10.665 -2.446 -10.795 1.00 5.15 H new ATOM 0 HG2 LYS A 95 8.891 -1.383 -9.370 1.00 64.15 H new ATOM 0 HG3 LYS A 95 8.127 -0.773 -10.824 1.00 64.15 H new ATOM 0 HD2 LYS A 95 6.964 -2.780 -10.347 1.00 33.03 H new ATOM 0 HD3 LYS A 95 8.055 -3.209 -11.650 1.00 33.03 H new ATOM 0 HE2 LYS A 95 9.563 -3.636 -9.308 1.00 11.00 H new ATOM 0 HE3 LYS A 95 7.958 -4.210 -8.901 1.00 11.00 H new ATOM 0 HZ1 LYS A 95 9.294 -5.960 -9.878 1.00 3.31 H new ATOM 0 HZ2 LYS A 95 7.981 -5.599 -10.893 1.00 3.31 H new ATOM 0 HZ3 LYS A 95 9.536 -5.043 -11.286 1.00 3.31 H new ATOM 145 N THR A 96 11.076 1.230 -9.051 1.00 54.11 N ATOM 146 CA THR A 96 11.211 1.619 -7.653 1.00 14.11 C ATOM 147 C THR A 96 9.987 2.393 -7.178 1.00 1.01 C ATOM 148 O THR A 96 10.095 3.299 -6.350 1.00 12.24 O ATOM 149 CB THR A 96 12.468 2.479 -7.428 1.00 11.34 C ATOM 150 OG1 THR A 96 12.338 3.727 -8.120 1.00 33.03 O ATOM 151 CG2 THR A 96 13.715 1.754 -7.912 1.00 75.41 C ATOM 0 H THR A 96 11.005 2.013 -9.701 1.00 54.11 H new ATOM 0 HA THR A 96 11.302 0.699 -7.076 1.00 14.11 H new ATOM 0 HB THR A 96 12.567 2.664 -6.358 1.00 11.34 H new ATOM 0 HG1 THR A 96 13.141 4.269 -7.971 1.00 33.03 H new ATOM 0 HG21 THR A 96 14.590 2.382 -7.742 1.00 75.41 H new ATOM 0 HG22 THR A 96 13.828 0.819 -7.364 1.00 75.41 H new ATOM 0 HG23 THR A 96 13.622 1.542 -8.977 1.00 75.41 H new ATOM 159 N THR A 97 8.821 2.032 -7.706 1.00 31.53 N ATOM 160 CA THR A 97 7.576 2.693 -7.336 1.00 24.15 C ATOM 161 C THR A 97 6.371 1.819 -7.659 1.00 64.43 C ATOM 162 O THR A 97 6.225 1.337 -8.783 1.00 45.12 O ATOM 163 CB THR A 97 7.423 4.046 -8.056 1.00 4.41 C ATOM 164 OG1 THR A 97 8.012 3.976 -9.360 1.00 34.14 O ATOM 165 CG2 THR A 97 8.079 5.162 -7.258 1.00 22.24 C ATOM 0 H THR A 97 8.714 1.285 -8.392 1.00 31.53 H new ATOM 0 HA THR A 97 7.618 2.865 -6.260 1.00 24.15 H new ATOM 0 HB THR A 97 6.359 4.264 -8.149 1.00 4.41 H new ATOM 0 HG1 THR A 97 7.909 4.839 -9.812 1.00 34.14 H new ATOM 0 HG21 THR A 97 7.958 6.107 -7.787 1.00 22.24 H new ATOM 0 HG22 THR A 97 7.609 5.232 -6.277 1.00 22.24 H new ATOM 0 HG23 THR A 97 9.141 4.947 -7.137 1.00 22.24 H new ATOM 173 N SER A 98 5.509 1.616 -6.668 1.00 73.31 N ATOM 174 CA SER A 98 4.317 0.795 -6.848 1.00 13.04 C ATOM 175 C SER A 98 3.065 1.664 -6.921 1.00 41.21 C ATOM 176 O SER A 98 3.017 2.755 -6.352 1.00 43.34 O ATOM 177 CB SER A 98 4.187 -0.210 -5.701 1.00 63.13 C ATOM 178 OG SER A 98 4.790 -1.448 -6.038 1.00 0.25 O ATOM 0 H SER A 98 5.614 2.009 -5.732 1.00 73.31 H new ATOM 0 HA SER A 98 4.418 0.253 -7.788 1.00 13.04 H new ATOM 0 HB2 SER A 98 4.656 0.194 -4.804 1.00 63.13 H new ATOM 0 HB3 SER A 98 3.134 -0.366 -5.468 1.00 63.13 H new ATOM 0 HG SER A 98 4.695 -2.073 -5.289 1.00 0.25 H new ATOM 184 N THR A 99 2.051 1.172 -7.627 1.00 64.11 N ATOM 185 CA THR A 99 0.800 1.903 -7.779 1.00 31.03 C ATOM 186 C THR A 99 -0.400 0.972 -7.641 1.00 71.24 C ATOM 187 O THR A 99 -0.329 -0.204 -7.998 1.00 63.42 O ATOM 188 CB THR A 99 0.728 2.617 -9.140 1.00 55.42 C ATOM 189 OG1 THR A 99 2.031 3.063 -9.531 1.00 11.34 O ATOM 190 CG2 THR A 99 -0.222 3.805 -9.078 1.00 41.41 C ATOM 0 H THR A 99 2.073 0.270 -8.102 1.00 64.11 H new ATOM 0 HA THR A 99 0.771 2.649 -6.985 1.00 31.03 H new ATOM 0 HB THR A 99 0.352 1.908 -9.877 1.00 55.42 H new ATOM 0 HG1 THR A 99 1.975 3.515 -10.399 1.00 11.34 H new ATOM 0 HG21 THR A 99 -0.257 4.294 -10.051 1.00 41.41 H new ATOM 0 HG22 THR A 99 -1.220 3.459 -8.810 1.00 41.41 H new ATOM 0 HG23 THR A 99 0.130 4.514 -8.328 1.00 41.41 H new ATOM 198 N TRP A 100 -1.500 1.506 -7.123 1.00 63.33 N ATOM 199 CA TRP A 100 -2.716 0.722 -6.940 1.00 60.24 C ATOM 200 C TRP A 100 -3.956 1.585 -7.142 1.00 12.14 C ATOM 201 O TRP A 100 -4.119 2.616 -6.489 1.00 41.03 O ATOM 202 CB TRP A 100 -2.738 0.093 -5.546 1.00 10.32 C ATOM 203 CG TRP A 100 -1.554 -0.784 -5.271 1.00 50.50 C ATOM 204 CD1 TRP A 100 -1.335 -2.041 -5.757 1.00 4.51 C ATOM 205 CD2 TRP A 100 -0.428 -0.470 -4.443 1.00 52.31 C ATOM 206 NE1 TRP A 100 -0.141 -2.527 -5.282 1.00 43.10 N ATOM 207 CE2 TRP A 100 0.435 -1.582 -4.475 1.00 30.44 C ATOM 208 CE3 TRP A 100 -0.065 0.644 -3.680 1.00 34.33 C ATOM 209 CZ2 TRP A 100 1.636 -1.611 -3.771 1.00 20.11 C ATOM 210 CZ3 TRP A 100 1.127 0.612 -2.982 1.00 42.43 C ATOM 211 CH2 TRP A 100 1.967 -0.508 -3.033 1.00 40.10 C ATOM 0 H TRP A 100 -1.575 2.478 -6.822 1.00 63.33 H new ATOM 0 HA TRP A 100 -2.723 -0.071 -7.688 1.00 60.24 H new ATOM 0 HB2 TRP A 100 -2.776 0.885 -4.798 1.00 10.32 H new ATOM 0 HB3 TRP A 100 -3.650 -0.494 -5.435 1.00 10.32 H new ATOM 0 HD1 TRP A 100 -2.002 -2.575 -6.418 1.00 4.51 H new ATOM 0 HE1 TRP A 100 0.253 -3.443 -5.496 1.00 43.10 H new ATOM 0 HE3 TRP A 100 -0.704 1.513 -3.637 1.00 34.33 H new ATOM 0 HZ2 TRP A 100 2.284 -2.474 -3.806 1.00 20.11 H new ATOM 0 HZ3 TRP A 100 1.416 1.465 -2.387 1.00 42.43 H new ATOM 0 HH2 TRP A 100 2.894 -0.500 -2.479 1.00 40.10 H new ATOM 222 N VAL A 101 -4.829 1.158 -8.049 1.00 63.20 N ATOM 223 CA VAL A 101 -6.055 1.892 -8.335 1.00 35.21 C ATOM 224 C VAL A 101 -7.277 1.155 -7.795 1.00 4.30 C ATOM 225 O VAL A 101 -7.604 0.059 -8.251 1.00 32.31 O ATOM 226 CB VAL A 101 -6.234 2.119 -9.847 1.00 52.31 C ATOM 227 CG1 VAL A 101 -7.391 3.072 -10.112 1.00 5.15 C ATOM 228 CG2 VAL A 101 -4.947 2.647 -10.462 1.00 64.30 C ATOM 0 H VAL A 101 -4.709 0.307 -8.598 1.00 63.20 H new ATOM 0 HA VAL A 101 -5.968 2.858 -7.838 1.00 35.21 H new ATOM 0 HB VAL A 101 -6.468 1.163 -10.315 1.00 52.31 H new ATOM 0 HG11 VAL A 101 -7.502 3.220 -11.186 1.00 5.15 H new ATOM 0 HG12 VAL A 101 -8.311 2.649 -9.707 1.00 5.15 H new ATOM 0 HG13 VAL A 101 -7.190 4.030 -9.633 1.00 5.15 H new ATOM 0 HG21 VAL A 101 -5.091 2.802 -11.531 1.00 64.30 H new ATOM 0 HG22 VAL A 101 -4.680 3.593 -9.991 1.00 64.30 H new ATOM 0 HG23 VAL A 101 -4.146 1.925 -10.305 1.00 64.30 H new ATOM 238 N LEU A 102 -7.946 1.763 -6.822 1.00 43.43 N ATOM 239 CA LEU A 102 -9.132 1.165 -6.219 1.00 64.33 C ATOM 240 C LEU A 102 -10.200 2.221 -5.957 1.00 20.14 C ATOM 241 O LEU A 102 -9.887 3.376 -5.666 1.00 53.12 O ATOM 242 CB LEU A 102 -8.763 0.459 -4.913 1.00 41.22 C ATOM 243 CG LEU A 102 -8.405 1.368 -3.737 1.00 1.40 C ATOM 244 CD1 LEU A 102 -9.060 0.869 -2.458 1.00 12.43 C ATOM 245 CD2 LEU A 102 -6.896 1.450 -3.568 1.00 3.34 C ATOM 0 H LEU A 102 -7.687 2.670 -6.434 1.00 43.43 H new ATOM 0 HA LEU A 102 -9.536 0.433 -6.918 1.00 64.33 H new ATOM 0 HB2 LEU A 102 -9.600 -0.173 -4.616 1.00 41.22 H new ATOM 0 HB3 LEU A 102 -7.918 -0.201 -5.106 1.00 41.22 H new ATOM 0 HG LEU A 102 -8.782 2.369 -3.948 1.00 1.40 H new ATOM 0 HD11 LEU A 102 -8.794 1.528 -1.632 1.00 12.43 H new ATOM 0 HD12 LEU A 102 -10.143 0.862 -2.583 1.00 12.43 H new ATOM 0 HD13 LEU A 102 -8.713 -0.142 -2.242 1.00 12.43 H new ATOM 0 HD21 LEU A 102 -6.659 2.101 -2.727 1.00 3.34 H new ATOM 0 HD22 LEU A 102 -6.496 0.454 -3.380 1.00 3.34 H new ATOM 0 HD23 LEU A 102 -6.450 1.854 -4.477 1.00 3.34 H new ATOM 257 N ARG A 103 -11.462 1.816 -6.058 1.00 54.01 N ATOM 258 CA ARG A 103 -12.578 2.727 -5.830 1.00 2.13 C ATOM 259 C ARG A 103 -12.730 3.039 -4.343 1.00 50.04 C ATOM 260 O ARG A 103 -13.403 2.312 -3.612 1.00 64.42 O ATOM 261 CB ARG A 103 -13.875 2.125 -6.371 1.00 64.24 C ATOM 262 CG ARG A 103 -14.868 3.163 -6.867 1.00 60.30 C ATOM 263 CD ARG A 103 -16.269 2.891 -6.340 1.00 62.04 C ATOM 264 NE ARG A 103 -17.287 3.625 -7.087 1.00 30.33 N ATOM 265 CZ ARG A 103 -17.755 3.236 -8.267 1.00 74.32 C ATOM 266 NH1 ARG A 103 -17.301 2.125 -8.832 1.00 3.45 N ATOM 267 NH2 ARG A 103 -18.682 3.958 -8.884 1.00 61.13 N ATOM 0 H ARG A 103 -11.737 0.863 -6.296 1.00 54.01 H new ATOM 0 HA ARG A 103 -12.369 3.657 -6.359 1.00 2.13 H new ATOM 0 HB2 ARG A 103 -13.636 1.444 -7.188 1.00 64.24 H new ATOM 0 HB3 ARG A 103 -14.345 1.531 -5.587 1.00 64.24 H new ATOM 0 HG2 ARG A 103 -14.546 4.156 -6.552 1.00 60.30 H new ATOM 0 HG3 ARG A 103 -14.882 3.163 -7.957 1.00 60.30 H new ATOM 0 HD2 ARG A 103 -16.477 1.823 -6.398 1.00 62.04 H new ATOM 0 HD3 ARG A 103 -16.321 3.169 -5.287 1.00 62.04 H new ATOM 0 HE ARG A 103 -17.659 4.483 -6.680 1.00 30.33 H new ATOM 0 HH11 ARG A 103 -16.590 1.566 -8.360 1.00 3.45 H new ATOM 0 HH12 ARG A 103 -17.663 1.829 -9.739 1.00 3.45 H new ATOM 0 HH21 ARG A 103 -19.035 4.812 -8.452 1.00 61.13 H new ATOM 0 HH22 ARG A 103 -19.042 3.659 -9.791 1.00 61.13 H new ATOM 281 N LEU A 104 -12.100 4.123 -3.904 1.00 52.24 N ATOM 282 CA LEU A 104 -12.166 4.531 -2.505 1.00 44.44 C ATOM 283 C LEU A 104 -12.686 5.959 -2.379 1.00 12.23 C ATOM 284 O LEU A 104 -12.495 6.783 -3.275 1.00 23.35 O ATOM 285 CB LEU A 104 -10.784 4.420 -1.857 1.00 14.04 C ATOM 286 CG LEU A 104 -10.763 3.971 -0.395 1.00 54.10 C ATOM 287 CD1 LEU A 104 -9.637 2.978 -0.157 1.00 43.33 C ATOM 288 CD2 LEU A 104 -10.623 5.171 0.529 1.00 1.33 C ATOM 0 H LEU A 104 -11.538 4.735 -4.496 1.00 52.24 H new ATOM 0 HA LEU A 104 -12.858 3.865 -1.989 1.00 44.44 H new ATOM 0 HB2 LEU A 104 -10.186 3.719 -2.440 1.00 14.04 H new ATOM 0 HB3 LEU A 104 -10.294 5.391 -1.925 1.00 14.04 H new ATOM 0 HG LEU A 104 -11.708 3.476 -0.174 1.00 54.10 H new ATOM 0 HD11 LEU A 104 -9.638 2.670 0.889 1.00 43.33 H new ATOM 0 HD12 LEU A 104 -9.782 2.104 -0.793 1.00 43.33 H new ATOM 0 HD13 LEU A 104 -8.682 3.446 -0.396 1.00 43.33 H new ATOM 0 HD21 LEU A 104 -10.610 4.833 1.565 1.00 1.33 H new ATOM 0 HD22 LEU A 104 -9.694 5.695 0.307 1.00 1.33 H new ATOM 0 HD23 LEU A 104 -11.465 5.846 0.378 1.00 1.33 H new ATOM 300 N ASP A 105 -13.342 6.247 -1.260 1.00 21.22 N ATOM 301 CA ASP A 105 -13.887 7.577 -1.013 1.00 51.54 C ATOM 302 C ASP A 105 -14.980 7.912 -2.024 1.00 55.01 C ATOM 303 O ASP A 105 -15.369 9.070 -2.173 1.00 22.13 O ATOM 304 CB ASP A 105 -12.777 8.628 -1.079 1.00 22.52 C ATOM 305 CG ASP A 105 -12.646 9.412 0.212 1.00 74.11 C ATOM 306 OD1 ASP A 105 -12.783 8.803 1.294 1.00 53.04 O ATOM 307 OD2 ASP A 105 -12.407 10.636 0.140 1.00 30.22 O ATOM 0 H ASP A 105 -13.509 5.577 -0.509 1.00 21.22 H new ATOM 0 HA ASP A 105 -14.324 7.583 -0.014 1.00 51.54 H new ATOM 0 HB2 ASP A 105 -11.829 8.138 -1.301 1.00 22.52 H new ATOM 0 HB3 ASP A 105 -12.980 9.316 -1.900 1.00 22.52 H new ATOM 312 N GLY A 106 -15.472 6.889 -2.717 1.00 21.24 N ATOM 313 CA GLY A 106 -16.514 7.096 -3.705 1.00 54.14 C ATOM 314 C GLY A 106 -15.957 7.430 -5.075 1.00 20.04 C ATOM 315 O GLY A 106 -16.712 7.662 -6.018 1.00 54.21 O ATOM 0 H GLY A 106 -15.167 5.921 -2.612 1.00 21.24 H new ATOM 0 HA2 GLY A 106 -17.128 6.198 -3.775 1.00 54.14 H new ATOM 0 HA3 GLY A 106 -17.168 7.904 -3.375 1.00 54.14 H new ATOM 319 N GLU A 107 -14.632 7.456 -5.183 1.00 13.02 N ATOM 320 CA GLU A 107 -13.976 7.768 -6.447 1.00 24.52 C ATOM 321 C GLU A 107 -12.759 6.872 -6.662 1.00 54.14 C ATOM 322 O GLU A 107 -12.367 6.116 -5.775 1.00 24.14 O ATOM 323 CB GLU A 107 -13.554 9.237 -6.479 1.00 3.41 C ATOM 324 CG GLU A 107 -13.873 9.934 -7.791 1.00 43.41 C ATOM 325 CD GLU A 107 -12.733 10.806 -8.281 1.00 61.32 C ATOM 326 OE1 GLU A 107 -11.621 10.273 -8.475 1.00 22.34 O ATOM 327 OE2 GLU A 107 -12.953 12.021 -8.472 1.00 33.42 O ATOM 0 H GLU A 107 -13.993 7.265 -4.411 1.00 13.02 H new ATOM 0 HA GLU A 107 -14.688 7.585 -7.252 1.00 24.52 H new ATOM 0 HB2 GLU A 107 -14.051 9.767 -5.666 1.00 3.41 H new ATOM 0 HB3 GLU A 107 -12.482 9.302 -6.294 1.00 3.41 H new ATOM 0 HG2 GLU A 107 -14.104 9.185 -8.549 1.00 43.41 H new ATOM 0 HG3 GLU A 107 -14.766 10.547 -7.665 1.00 43.41 H new ATOM 334 N ASP A 108 -12.168 6.964 -7.849 1.00 32.24 N ATOM 335 CA ASP A 108 -10.995 6.163 -8.182 1.00 12.43 C ATOM 336 C ASP A 108 -9.779 6.622 -7.384 1.00 60.33 C ATOM 337 O ASP A 108 -9.025 7.490 -7.824 1.00 50.15 O ATOM 338 CB ASP A 108 -10.701 6.252 -9.680 1.00 64.02 C ATOM 339 CG ASP A 108 -11.913 5.925 -10.529 1.00 64.53 C ATOM 340 OD1 ASP A 108 -12.874 5.337 -9.990 1.00 44.34 O ATOM 341 OD2 ASP A 108 -11.902 6.255 -11.734 1.00 5.51 O ATOM 0 H ASP A 108 -12.481 7.584 -8.596 1.00 32.24 H new ATOM 0 HA ASP A 108 -11.207 5.126 -7.921 1.00 12.43 H new ATOM 0 HB2 ASP A 108 -10.354 7.257 -9.920 1.00 64.02 H new ATOM 0 HB3 ASP A 108 -9.891 5.567 -9.929 1.00 64.02 H new ATOM 346 N LEU A 109 -9.595 6.034 -6.206 1.00 42.32 N ATOM 347 CA LEU A 109 -8.471 6.383 -5.345 1.00 43.12 C ATOM 348 C LEU A 109 -7.177 5.757 -5.857 1.00 55.55 C ATOM 349 O LEU A 109 -7.120 4.556 -6.124 1.00 12.34 O ATOM 350 CB LEU A 109 -8.740 5.923 -3.911 1.00 45.21 C ATOM 351 CG LEU A 109 -7.986 6.675 -2.813 1.00 73.44 C ATOM 352 CD1 LEU A 109 -8.931 7.588 -2.047 1.00 33.12 C ATOM 353 CD2 LEU A 109 -7.305 5.696 -1.868 1.00 62.20 C ATOM 0 H LEU A 109 -10.210 5.314 -5.826 1.00 42.32 H new ATOM 0 HA LEU A 109 -8.358 7.467 -5.358 1.00 43.12 H new ATOM 0 HB2 LEU A 109 -9.809 6.012 -3.716 1.00 45.21 H new ATOM 0 HB3 LEU A 109 -8.489 4.865 -3.837 1.00 45.21 H new ATOM 0 HG LEU A 109 -7.218 7.291 -3.281 1.00 73.44 H new ATOM 0 HD11 LEU A 109 -8.377 8.115 -1.270 1.00 33.12 H new ATOM 0 HD12 LEU A 109 -9.373 8.312 -2.732 1.00 33.12 H new ATOM 0 HD13 LEU A 109 -9.721 6.993 -1.589 1.00 33.12 H new ATOM 0 HD21 LEU A 109 -6.773 6.248 -1.093 1.00 62.20 H new ATOM 0 HD22 LEU A 109 -8.055 5.054 -1.406 1.00 62.20 H new ATOM 0 HD23 LEU A 109 -6.598 5.083 -2.427 1.00 62.20 H new ATOM 365 N ARG A 110 -6.141 6.578 -5.992 1.00 54.44 N ATOM 366 CA ARG A 110 -4.848 6.105 -6.471 1.00 40.03 C ATOM 367 C ARG A 110 -3.829 6.066 -5.337 1.00 62.12 C ATOM 368 O ARG A 110 -3.506 7.095 -4.742 1.00 73.14 O ATOM 369 CB ARG A 110 -4.338 7.004 -7.599 1.00 14.43 C ATOM 370 CG ARG A 110 -3.795 6.237 -8.793 1.00 34.21 C ATOM 371 CD ARG A 110 -3.801 7.088 -10.053 1.00 33.21 C ATOM 372 NE ARG A 110 -5.156 7.440 -10.469 1.00 51.03 N ATOM 373 CZ ARG A 110 -5.452 7.932 -11.667 1.00 61.53 C ATOM 374 NH1 ARG A 110 -4.494 8.127 -12.563 1.00 32.52 N ATOM 375 NH2 ARG A 110 -6.709 8.228 -11.972 1.00 70.25 N ATOM 0 H ARG A 110 -6.172 7.574 -5.776 1.00 54.44 H new ATOM 0 HA ARG A 110 -4.979 5.093 -6.853 1.00 40.03 H new ATOM 0 HB2 ARG A 110 -5.150 7.650 -7.932 1.00 14.43 H new ATOM 0 HB3 ARG A 110 -3.554 7.653 -7.208 1.00 14.43 H new ATOM 0 HG2 ARG A 110 -2.778 5.905 -8.582 1.00 34.21 H new ATOM 0 HG3 ARG A 110 -4.395 5.342 -8.955 1.00 34.21 H new ATOM 0 HD2 ARG A 110 -3.227 7.998 -9.878 1.00 33.21 H new ATOM 0 HD3 ARG A 110 -3.304 6.547 -10.858 1.00 33.21 H new ATOM 0 HE ARG A 110 -5.916 7.301 -9.804 1.00 51.03 H new ATOM 0 HH11 ARG A 110 -3.527 7.899 -12.333 1.00 32.52 H new ATOM 0 HH12 ARG A 110 -4.724 8.505 -13.482 1.00 32.52 H new ATOM 0 HH21 ARG A 110 -7.449 8.078 -11.286 1.00 70.25 H new ATOM 0 HH22 ARG A 110 -6.935 8.606 -12.892 1.00 70.25 H new ATOM 389 N VAL A 111 -3.325 4.872 -5.042 1.00 40.51 N ATOM 390 CA VAL A 111 -2.341 4.698 -3.980 1.00 11.01 C ATOM 391 C VAL A 111 -0.981 4.312 -4.547 1.00 44.15 C ATOM 392 O VAL A 111 -0.824 3.244 -5.141 1.00 33.15 O ATOM 393 CB VAL A 111 -2.788 3.624 -2.971 1.00 34.53 C ATOM 394 CG1 VAL A 111 -2.664 4.143 -1.547 1.00 3.12 C ATOM 395 CG2 VAL A 111 -4.214 3.181 -3.262 1.00 72.32 C ATOM 0 H VAL A 111 -3.582 4.010 -5.524 1.00 40.51 H new ATOM 0 HA VAL A 111 -2.258 5.656 -3.467 1.00 11.01 H new ATOM 0 HB VAL A 111 -2.133 2.759 -3.075 1.00 34.53 H new ATOM 0 HG11 VAL A 111 -2.984 3.370 -0.849 1.00 3.12 H new ATOM 0 HG12 VAL A 111 -1.626 4.407 -1.345 1.00 3.12 H new ATOM 0 HG13 VAL A 111 -3.293 5.025 -1.425 1.00 3.12 H new ATOM 0 HG21 VAL A 111 -4.514 2.422 -2.540 1.00 72.32 H new ATOM 0 HG22 VAL A 111 -4.884 4.038 -3.187 1.00 72.32 H new ATOM 0 HG23 VAL A 111 -4.268 2.766 -4.268 1.00 72.32 H new ATOM 405 N VAL A 112 0.002 5.186 -4.362 1.00 42.30 N ATOM 406 CA VAL A 112 1.352 4.936 -4.855 1.00 10.03 C ATOM 407 C VAL A 112 2.339 4.784 -3.702 1.00 54.00 C ATOM 408 O VAL A 112 2.262 5.504 -2.706 1.00 2.21 O ATOM 409 CB VAL A 112 1.831 6.070 -5.779 1.00 41.54 C ATOM 410 CG1 VAL A 112 3.172 5.719 -6.405 1.00 73.25 C ATOM 411 CG2 VAL A 112 0.791 6.358 -6.852 1.00 62.01 C ATOM 0 H VAL A 112 -0.110 6.075 -3.874 1.00 42.30 H new ATOM 0 HA VAL A 112 1.314 4.006 -5.423 1.00 10.03 H new ATOM 0 HB VAL A 112 1.962 6.972 -5.181 1.00 41.54 H new ATOM 0 HG11 VAL A 112 3.494 6.533 -7.055 1.00 73.25 H new ATOM 0 HG12 VAL A 112 3.912 5.568 -5.619 1.00 73.25 H new ATOM 0 HG13 VAL A 112 3.072 4.805 -6.990 1.00 73.25 H new ATOM 0 HG21 VAL A 112 1.146 7.162 -7.496 1.00 62.01 H new ATOM 0 HG22 VAL A 112 0.626 5.461 -7.449 1.00 62.01 H new ATOM 0 HG23 VAL A 112 -0.145 6.657 -6.380 1.00 62.01 H new ATOM 421 N LEU A 113 3.265 3.843 -3.844 1.00 14.11 N ATOM 422 CA LEU A 113 4.269 3.595 -2.816 1.00 33.24 C ATOM 423 C LEU A 113 5.665 3.945 -3.321 1.00 32.41 C ATOM 424 O LEU A 113 6.223 3.242 -4.162 1.00 5.32 O ATOM 425 CB LEU A 113 4.225 2.131 -2.374 1.00 52.20 C ATOM 426 CG LEU A 113 5.347 1.679 -1.439 1.00 34.10 C ATOM 427 CD1 LEU A 113 5.683 2.774 -0.439 1.00 52.12 C ATOM 428 CD2 LEU A 113 4.955 0.397 -0.717 1.00 0.43 C ATOM 0 H LEU A 113 3.342 3.238 -4.662 1.00 14.11 H new ATOM 0 HA LEU A 113 4.043 4.233 -1.961 1.00 33.24 H new ATOM 0 HB2 LEU A 113 3.271 1.950 -1.878 1.00 52.20 H new ATOM 0 HB3 LEU A 113 4.246 1.503 -3.264 1.00 52.20 H new ATOM 0 HG LEU A 113 6.235 1.479 -2.039 1.00 34.10 H new ATOM 0 HD11 LEU A 113 6.484 2.434 0.218 1.00 52.12 H new ATOM 0 HD12 LEU A 113 6.007 3.667 -0.973 1.00 52.12 H new ATOM 0 HD13 LEU A 113 4.800 3.007 0.156 1.00 52.12 H new ATOM 0 HD21 LEU A 113 5.765 0.090 -0.056 1.00 0.43 H new ATOM 0 HD22 LEU A 113 4.053 0.571 -0.130 1.00 0.43 H new ATOM 0 HD23 LEU A 113 4.765 -0.389 -1.448 1.00 0.43 H new ATOM 440 N GLU A 114 6.221 5.033 -2.799 1.00 11.41 N ATOM 441 CA GLU A 114 7.553 5.475 -3.198 1.00 4.21 C ATOM 442 C GLU A 114 8.631 4.699 -2.447 1.00 31.10 C ATOM 443 O GLU A 114 8.542 4.506 -1.234 1.00 31.12 O ATOM 444 CB GLU A 114 7.716 6.975 -2.940 1.00 61.45 C ATOM 445 CG GLU A 114 8.273 7.740 -4.128 1.00 63.13 C ATOM 446 CD GLU A 114 7.503 9.014 -4.415 1.00 63.00 C ATOM 447 OE1 GLU A 114 7.481 9.903 -3.538 1.00 34.23 O ATOM 448 OE2 GLU A 114 6.923 9.123 -5.516 1.00 25.33 O ATOM 0 H GLU A 114 5.771 5.624 -2.100 1.00 11.41 H new ATOM 0 HA GLU A 114 7.667 5.283 -4.265 1.00 4.21 H new ATOM 0 HB2 GLU A 114 6.748 7.396 -2.669 1.00 61.45 H new ATOM 0 HB3 GLU A 114 8.376 7.118 -2.085 1.00 61.45 H new ATOM 0 HG2 GLU A 114 9.318 7.986 -3.939 1.00 63.13 H new ATOM 0 HG3 GLU A 114 8.251 7.100 -5.010 1.00 63.13 H new ATOM 455 N LYS A 115 9.649 4.254 -3.176 1.00 73.13 N ATOM 456 CA LYS A 115 10.745 3.499 -2.581 1.00 52.33 C ATOM 457 C LYS A 115 11.657 4.413 -1.769 1.00 30.31 C ATOM 458 O LYS A 115 12.451 3.945 -0.953 1.00 4.44 O ATOM 459 CB LYS A 115 11.553 2.791 -3.671 1.00 2.24 C ATOM 460 CG LYS A 115 11.027 1.410 -4.020 1.00 34.13 C ATOM 461 CD LYS A 115 11.994 0.320 -3.593 1.00 65.40 C ATOM 462 CE LYS A 115 13.164 0.204 -4.557 1.00 61.24 C ATOM 463 NZ LYS A 115 14.249 -0.659 -4.013 1.00 11.24 N ATOM 0 H LYS A 115 9.738 4.404 -4.181 1.00 73.13 H new ATOM 0 HA LYS A 115 10.319 2.753 -1.911 1.00 52.33 H new ATOM 0 HB2 LYS A 115 11.553 3.408 -4.570 1.00 2.24 H new ATOM 0 HB3 LYS A 115 12.589 2.704 -3.344 1.00 2.24 H new ATOM 0 HG2 LYS A 115 10.064 1.253 -3.535 1.00 34.13 H new ATOM 0 HG3 LYS A 115 10.857 1.346 -5.095 1.00 34.13 H new ATOM 0 HD2 LYS A 115 12.366 0.535 -2.591 1.00 65.40 H new ATOM 0 HD3 LYS A 115 11.469 -0.634 -3.540 1.00 65.40 H new ATOM 0 HE2 LYS A 115 12.814 -0.206 -5.504 1.00 61.24 H new ATOM 0 HE3 LYS A 115 13.561 1.197 -4.767 1.00 61.24 H new ATOM 0 HZ1 LYS A 115 15.028 -0.712 -4.700 1.00 11.24 H new ATOM 0 HZ2 LYS A 115 14.601 -0.254 -3.122 1.00 11.24 H new ATOM 0 HZ3 LYS A 115 13.877 -1.614 -3.836 1.00 11.24 H new ATOM 477 N ASP A 116 11.535 5.716 -1.996 1.00 25.31 N ATOM 478 CA ASP A 116 12.347 6.695 -1.283 1.00 3.43 C ATOM 479 C ASP A 116 12.271 6.470 0.224 1.00 13.51 C ATOM 480 O ASP A 116 13.294 6.338 0.896 1.00 1.34 O ATOM 481 CB ASP A 116 11.890 8.114 -1.624 1.00 53.23 C ATOM 482 CG ASP A 116 12.637 8.695 -2.809 1.00 34.15 C ATOM 483 OD1 ASP A 116 13.875 8.541 -2.861 1.00 41.55 O ATOM 484 OD2 ASP A 116 11.983 9.303 -3.682 1.00 24.30 O ATOM 0 H ASP A 116 10.882 6.119 -2.668 1.00 25.31 H new ATOM 0 HA ASP A 116 13.383 6.570 -1.599 1.00 3.43 H new ATOM 0 HB2 ASP A 116 10.822 8.106 -1.840 1.00 53.23 H new ATOM 0 HB3 ASP A 116 12.035 8.757 -0.756 1.00 53.23 H new ATOM 489 N THR A 117 11.050 6.430 0.749 1.00 21.32 N ATOM 490 CA THR A 117 10.839 6.224 2.177 1.00 1.45 C ATOM 491 C THR A 117 9.693 5.252 2.429 1.00 60.53 C ATOM 492 O THR A 117 9.158 5.182 3.535 1.00 75.11 O ATOM 493 CB THR A 117 10.539 7.552 2.898 1.00 33.13 C ATOM 494 OG1 THR A 117 10.475 8.621 1.948 1.00 13.12 O ATOM 495 CG2 THR A 117 11.605 7.856 3.940 1.00 70.55 C ATOM 0 H THR A 117 10.193 6.537 0.207 1.00 21.32 H new ATOM 0 HA THR A 117 11.762 5.803 2.575 1.00 1.45 H new ATOM 0 HB THR A 117 9.578 7.456 3.403 1.00 33.13 H new ATOM 0 HG1 THR A 117 10.282 9.461 2.414 1.00 13.12 H new ATOM 0 HG21 THR A 117 11.371 8.798 4.435 1.00 70.55 H new ATOM 0 HG22 THR A 117 11.631 7.055 4.678 1.00 70.55 H new ATOM 0 HG23 THR A 117 12.577 7.933 3.454 1.00 70.55 H new ATOM 503 N MET A 118 9.321 4.502 1.396 1.00 54.23 N ATOM 504 CA MET A 118 8.238 3.532 1.507 1.00 20.10 C ATOM 505 C MET A 118 6.952 4.204 1.978 1.00 64.32 C ATOM 506 O MET A 118 6.150 3.599 2.690 1.00 53.13 O ATOM 507 CB MET A 118 8.626 2.411 2.475 1.00 41.05 C ATOM 508 CG MET A 118 9.531 1.359 1.854 1.00 10.42 C ATOM 509 SD MET A 118 10.271 0.267 3.083 1.00 12.15 S ATOM 510 CE MET A 118 8.807 -0.384 3.883 1.00 22.31 C ATOM 0 H MET A 118 9.754 4.548 0.473 1.00 54.23 H new ATOM 0 HA MET A 118 8.063 3.105 0.519 1.00 20.10 H new ATOM 0 HB2 MET A 118 9.128 2.846 3.339 1.00 41.05 H new ATOM 0 HB3 MET A 118 7.720 1.929 2.842 1.00 41.05 H new ATOM 0 HG2 MET A 118 8.956 0.764 1.144 1.00 10.42 H new ATOM 0 HG3 MET A 118 10.322 1.853 1.289 1.00 10.42 H new ATOM 0 HE1 MET A 118 9.101 -1.078 4.670 1.00 22.31 H new ATOM 0 HE2 MET A 118 8.235 0.436 4.317 1.00 22.31 H new ATOM 0 HE3 MET A 118 8.193 -0.907 3.149 1.00 22.31 H new ATOM 520 N ASP A 119 6.763 5.455 1.577 1.00 4.52 N ATOM 521 CA ASP A 119 5.574 6.208 1.958 1.00 1.54 C ATOM 522 C ASP A 119 4.439 5.970 0.967 1.00 10.05 C ATOM 523 O ASP A 119 4.675 5.643 -0.196 1.00 74.03 O ATOM 524 CB ASP A 119 5.894 7.703 2.035 1.00 30.54 C ATOM 525 CG ASP A 119 5.672 8.271 3.424 1.00 62.44 C ATOM 526 OD1 ASP A 119 4.709 7.842 4.093 1.00 12.35 O ATOM 527 OD2 ASP A 119 6.462 9.143 3.841 1.00 62.34 O ATOM 0 H ASP A 119 7.418 5.970 0.988 1.00 4.52 H new ATOM 0 HA ASP A 119 5.254 5.861 2.940 1.00 1.54 H new ATOM 0 HB2 ASP A 119 6.931 7.866 1.740 1.00 30.54 H new ATOM 0 HB3 ASP A 119 5.271 8.242 1.321 1.00 30.54 H new ATOM 532 N VAL A 120 3.205 6.134 1.436 1.00 5.14 N ATOM 533 CA VAL A 120 2.034 5.936 0.592 1.00 22.11 C ATOM 534 C VAL A 120 1.415 7.270 0.191 1.00 33.11 C ATOM 535 O VAL A 120 1.182 8.136 1.033 1.00 12.51 O ATOM 536 CB VAL A 120 0.968 5.081 1.303 1.00 43.40 C ATOM 537 CG1 VAL A 120 -0.206 4.810 0.375 1.00 2.51 C ATOM 538 CG2 VAL A 120 1.576 3.778 1.801 1.00 10.12 C ATOM 0 H VAL A 120 2.992 6.404 2.396 1.00 5.14 H new ATOM 0 HA VAL A 120 2.372 5.412 -0.302 1.00 22.11 H new ATOM 0 HB VAL A 120 0.598 5.636 2.165 1.00 43.40 H new ATOM 0 HG11 VAL A 120 -0.949 4.205 0.895 1.00 2.51 H new ATOM 0 HG12 VAL A 120 -0.656 5.755 0.072 1.00 2.51 H new ATOM 0 HG13 VAL A 120 0.144 4.275 -0.508 1.00 2.51 H new ATOM 0 HG21 VAL A 120 0.809 3.186 2.301 1.00 10.12 H new ATOM 0 HG22 VAL A 120 1.975 3.216 0.956 1.00 10.12 H new ATOM 0 HG23 VAL A 120 2.380 3.997 2.503 1.00 10.12 H new ATOM 548 N TRP A 121 1.149 7.428 -1.101 1.00 61.21 N ATOM 549 CA TRP A 121 0.556 8.656 -1.615 1.00 12.02 C ATOM 550 C TRP A 121 -0.865 8.410 -2.111 1.00 71.52 C ATOM 551 O TRP A 121 -1.095 7.543 -2.956 1.00 3.42 O ATOM 552 CB TRP A 121 1.412 9.227 -2.746 1.00 63.11 C ATOM 553 CG TRP A 121 1.338 10.719 -2.853 1.00 2.51 C ATOM 554 CD1 TRP A 121 0.644 11.566 -2.037 1.00 41.33 C ATOM 555 CD2 TRP A 121 1.982 11.542 -3.832 1.00 41.45 C ATOM 556 NE1 TRP A 121 0.817 12.865 -2.450 1.00 51.32 N ATOM 557 CE2 TRP A 121 1.634 12.877 -3.549 1.00 55.12 C ATOM 558 CE3 TRP A 121 2.820 11.280 -4.920 1.00 15.21 C ATOM 559 CZ2 TRP A 121 2.094 13.945 -4.316 1.00 50.11 C ATOM 560 CZ3 TRP A 121 3.276 12.341 -5.680 1.00 73.54 C ATOM 561 CH2 TRP A 121 2.913 13.660 -5.375 1.00 31.22 C ATOM 0 H TRP A 121 1.335 6.720 -1.812 1.00 61.21 H new ATOM 0 HA TRP A 121 0.516 9.378 -0.799 1.00 12.02 H new ATOM 0 HB2 TRP A 121 2.450 8.932 -2.590 1.00 63.11 H new ATOM 0 HB3 TRP A 121 1.094 8.786 -3.691 1.00 63.11 H new ATOM 0 HD1 TRP A 121 0.047 11.260 -1.191 1.00 41.33 H new ATOM 0 HE1 TRP A 121 0.404 13.687 -2.009 1.00 51.32 H new ATOM 0 HE3 TRP A 121 3.106 10.267 -5.162 1.00 15.21 H new ATOM 0 HZ2 TRP A 121 1.814 14.962 -4.083 1.00 50.11 H new ATOM 0 HZ3 TRP A 121 3.923 12.150 -6.523 1.00 73.54 H new ATOM 0 HH2 TRP A 121 3.287 14.467 -5.988 1.00 31.22 H new ATOM 572 N CYS A 122 -1.813 9.174 -1.582 1.00 43.02 N ATOM 573 CA CYS A 122 -3.212 9.037 -1.971 1.00 61.32 C ATOM 574 C CYS A 122 -3.753 10.349 -2.530 1.00 25.34 C ATOM 575 O CYS A 122 -4.046 11.279 -1.780 1.00 34.11 O ATOM 576 CB CYS A 122 -4.055 8.591 -0.775 1.00 52.22 C ATOM 577 SG CYS A 122 -5.838 8.648 -1.067 1.00 0.03 S ATOM 0 H CYS A 122 -1.639 9.895 -0.882 1.00 43.02 H new ATOM 0 HA CYS A 122 -3.273 8.279 -2.752 1.00 61.32 H new ATOM 0 HB2 CYS A 122 -3.774 7.573 -0.506 1.00 52.22 H new ATOM 0 HB3 CYS A 122 -3.817 9.224 0.080 1.00 52.22 H new ATOM 0 HG CYS A 122 -6.459 8.095 -0.068 1.00 0.03 H new ATOM 583 N ASN A 123 -3.879 10.417 -3.850 1.00 72.12 N ATOM 584 CA ASN A 123 -4.382 11.617 -4.509 1.00 1.42 C ATOM 585 C ASN A 123 -3.703 12.866 -3.957 1.00 23.10 C ATOM 586 O ASN A 123 -4.321 13.661 -3.250 1.00 1.22 O ATOM 587 CB ASN A 123 -5.898 11.725 -4.329 1.00 44.34 C ATOM 588 CG ASN A 123 -6.663 11.086 -5.472 1.00 74.22 C ATOM 589 OD1 ASN A 123 -6.727 11.633 -6.573 1.00 61.52 O ATOM 590 ND2 ASN A 123 -7.249 9.922 -5.213 1.00 44.32 N ATOM 0 H ASN A 123 -3.640 9.656 -4.485 1.00 72.12 H new ATOM 0 HA ASN A 123 -4.153 11.541 -5.572 1.00 1.42 H new ATOM 0 HB2 ASN A 123 -6.185 11.248 -3.392 1.00 44.34 H new ATOM 0 HB3 ASN A 123 -6.178 12.776 -4.251 1.00 44.34 H new ATOM 0 HD21 ASN A 123 -7.779 9.444 -5.942 1.00 44.32 H new ATOM 0 HD22 ASN A 123 -7.169 9.506 -4.285 1.00 44.32 H new ATOM 597 N GLY A 124 -2.425 13.033 -4.287 1.00 21.04 N ATOM 598 CA GLY A 124 -1.682 14.188 -3.815 1.00 74.10 C ATOM 599 C GLY A 124 -1.865 14.428 -2.331 1.00 15.14 C ATOM 600 O GLY A 124 -1.996 15.571 -1.892 1.00 11.40 O ATOM 0 H GLY A 124 -1.892 12.390 -4.872 1.00 21.04 H new ATOM 0 HA2 GLY A 124 -0.623 14.047 -4.029 1.00 74.10 H new ATOM 0 HA3 GLY A 124 -2.003 15.072 -4.365 1.00 74.10 H new ATOM 604 N GLN A 125 -1.878 13.349 -1.554 1.00 12.54 N ATOM 605 CA GLN A 125 -2.050 13.451 -0.109 1.00 74.44 C ATOM 606 C GLN A 125 -1.172 12.436 0.615 1.00 63.13 C ATOM 607 O GLN A 125 -1.494 11.249 0.674 1.00 2.42 O ATOM 608 CB GLN A 125 -3.517 13.234 0.267 1.00 50.02 C ATOM 609 CG GLN A 125 -4.055 14.271 1.239 1.00 2.44 C ATOM 610 CD GLN A 125 -4.636 15.483 0.537 1.00 41.11 C ATOM 611 OE1 GLN A 125 -5.077 15.398 -0.609 1.00 60.04 O ATOM 612 NE2 GLN A 125 -4.638 16.620 1.223 1.00 44.34 N ATOM 0 H GLN A 125 -1.772 12.396 -1.900 1.00 12.54 H new ATOM 0 HA GLN A 125 -1.747 14.452 0.199 1.00 74.44 H new ATOM 0 HB2 GLN A 125 -4.122 13.249 -0.640 1.00 50.02 H new ATOM 0 HB3 GLN A 125 -3.628 12.243 0.707 1.00 50.02 H new ATOM 0 HG2 GLN A 125 -4.823 13.814 1.863 1.00 2.44 H new ATOM 0 HG3 GLN A 125 -3.253 14.591 1.904 1.00 2.44 H new ATOM 0 HE21 GLN A 125 -4.262 16.644 2.171 1.00 44.34 H new ATOM 0 HE22 GLN A 125 -5.016 17.469 0.802 1.00 44.34 H new ATOM 621 N LYS A 126 -0.058 12.910 1.164 1.00 14.14 N ATOM 622 CA LYS A 126 0.868 12.046 1.886 1.00 13.05 C ATOM 623 C LYS A 126 0.142 11.262 2.977 1.00 65.34 C ATOM 624 O LYS A 126 -0.159 11.797 4.043 1.00 44.03 O ATOM 625 CB LYS A 126 1.995 12.876 2.505 1.00 62.50 C ATOM 626 CG LYS A 126 3.247 12.071 2.806 1.00 42.45 C ATOM 627 CD LYS A 126 4.492 12.942 2.772 1.00 54.43 C ATOM 628 CE LYS A 126 5.713 12.154 2.326 1.00 44.41 C ATOM 629 NZ LYS A 126 6.609 12.964 1.455 1.00 54.15 N ATOM 0 H LYS A 126 0.225 13.889 1.122 1.00 14.14 H new ATOM 0 HA LYS A 126 1.294 11.338 1.175 1.00 13.05 H new ATOM 0 HB2 LYS A 126 2.251 13.690 1.826 1.00 62.50 H new ATOM 0 HB3 LYS A 126 1.635 13.331 3.428 1.00 62.50 H new ATOM 0 HG2 LYS A 126 3.154 11.606 3.787 1.00 42.45 H new ATOM 0 HG3 LYS A 126 3.346 11.265 2.079 1.00 42.45 H new ATOM 0 HD2 LYS A 126 4.332 13.781 2.094 1.00 54.43 H new ATOM 0 HD3 LYS A 126 4.671 13.362 3.762 1.00 54.43 H new ATOM 0 HE2 LYS A 126 6.267 11.816 3.202 1.00 44.41 H new ATOM 0 HE3 LYS A 126 5.393 11.262 1.788 1.00 44.41 H new ATOM 0 HZ1 LYS A 126 7.429 12.391 1.172 1.00 54.15 H new ATOM 0 HZ2 LYS A 126 6.089 13.266 0.607 1.00 54.15 H new ATOM 0 HZ3 LYS A 126 6.936 13.802 1.977 1.00 54.15 H new ATOM 643 N MET A 127 -0.132 9.991 2.701 1.00 62.14 N ATOM 644 CA MET A 127 -0.818 9.133 3.659 1.00 14.04 C ATOM 645 C MET A 127 0.034 8.922 4.907 1.00 35.44 C ATOM 646 O MET A 127 1.221 9.242 4.919 1.00 23.34 O ATOM 647 CB MET A 127 -1.154 7.784 3.021 1.00 44.01 C ATOM 648 CG MET A 127 -2.171 7.880 1.895 1.00 3.14 C ATOM 649 SD MET A 127 -3.856 7.571 2.454 1.00 31.21 S ATOM 650 CE MET A 127 -3.705 5.898 3.077 1.00 10.34 C ATOM 0 H MET A 127 0.110 9.533 1.822 1.00 62.14 H new ATOM 0 HA MET A 127 -1.744 9.627 3.952 1.00 14.04 H new ATOM 0 HB2 MET A 127 -0.238 7.336 2.635 1.00 44.01 H new ATOM 0 HB3 MET A 127 -1.538 7.113 3.790 1.00 44.01 H new ATOM 0 HG2 MET A 127 -2.117 8.872 1.446 1.00 3.14 H new ATOM 0 HG3 MET A 127 -1.913 7.163 1.116 1.00 3.14 H new ATOM 0 HE1 MET A 127 -4.327 5.230 2.481 1.00 10.34 H new ATOM 0 HE2 MET A 127 -2.665 5.579 3.013 1.00 10.34 H new ATOM 0 HE3 MET A 127 -4.031 5.866 4.117 1.00 10.34 H new ATOM 660 N GLU A 128 -0.582 8.380 5.954 1.00 0.42 N ATOM 661 CA GLU A 128 0.121 8.127 7.206 1.00 53.32 C ATOM 662 C GLU A 128 0.108 6.640 7.546 1.00 31.22 C ATOM 663 O GLU A 128 -0.917 6.093 7.955 1.00 22.13 O ATOM 664 CB GLU A 128 -0.515 8.928 8.345 1.00 40.12 C ATOM 665 CG GLU A 128 0.385 10.020 8.897 1.00 3.54 C ATOM 666 CD GLU A 128 0.215 10.217 10.391 1.00 0.30 C ATOM 667 OE1 GLU A 128 -0.929 10.101 10.878 1.00 22.03 O ATOM 668 OE2 GLU A 128 1.226 10.487 11.072 1.00 52.02 O ATOM 0 H GLU A 128 -1.565 8.108 5.959 1.00 0.42 H new ATOM 0 HA GLU A 128 1.156 8.445 7.082 1.00 53.32 H new ATOM 0 HB2 GLU A 128 -1.441 9.378 7.988 1.00 40.12 H new ATOM 0 HB3 GLU A 128 -0.782 8.246 9.152 1.00 40.12 H new ATOM 0 HG2 GLU A 128 1.425 9.771 8.683 1.00 3.54 H new ATOM 0 HG3 GLU A 128 0.169 10.957 8.384 1.00 3.54 H new ATOM 675 N THR A 129 1.254 5.989 7.374 1.00 22.30 N ATOM 676 CA THR A 129 1.376 4.565 7.661 1.00 50.31 C ATOM 677 C THR A 129 1.931 4.332 9.061 1.00 42.11 C ATOM 678 O THR A 129 2.251 5.279 9.778 1.00 43.41 O ATOM 679 CB THR A 129 2.286 3.861 6.636 1.00 12.33 C ATOM 680 OG1 THR A 129 3.655 4.201 6.882 1.00 33.00 O ATOM 681 CG2 THR A 129 1.907 4.255 5.216 1.00 31.11 C ATOM 0 H THR A 129 2.112 6.426 7.037 1.00 22.30 H new ATOM 0 HA THR A 129 0.373 4.142 7.596 1.00 50.31 H new ATOM 0 HB THR A 129 2.154 2.784 6.745 1.00 12.33 H new ATOM 0 HG1 THR A 129 4.154 4.181 6.039 1.00 33.00 H new ATOM 0 HG21 THR A 129 2.563 3.746 4.510 1.00 31.11 H new ATOM 0 HG22 THR A 129 0.873 3.969 5.023 1.00 31.11 H new ATOM 0 HG23 THR A 129 2.013 5.333 5.097 1.00 31.11 H new ATOM 689 N ALA A 130 2.043 3.064 9.444 1.00 42.20 N ATOM 690 CA ALA A 130 2.563 2.706 10.758 1.00 53.30 C ATOM 691 C ALA A 130 3.738 1.743 10.640 1.00 40.03 C ATOM 692 O ALA A 130 3.572 0.528 10.748 1.00 4.33 O ATOM 693 CB ALA A 130 1.462 2.096 11.613 1.00 73.42 C ATOM 0 H ALA A 130 1.781 2.268 8.863 1.00 42.20 H new ATOM 0 HA ALA A 130 2.920 3.616 11.240 1.00 53.30 H new ATOM 0 HB1 ALA A 130 1.864 1.833 12.591 1.00 73.42 H new ATOM 0 HB2 ALA A 130 0.654 2.817 11.735 1.00 73.42 H new ATOM 0 HB3 ALA A 130 1.078 1.200 11.126 1.00 73.42 H new ATOM 699 N GLY A 131 4.928 2.293 10.416 1.00 51.04 N ATOM 700 CA GLY A 131 6.115 1.467 10.286 1.00 32.51 C ATOM 701 C GLY A 131 6.276 0.497 11.440 1.00 55.13 C ATOM 702 O GLY A 131 6.496 0.909 12.578 1.00 31.33 O ATOM 0 H GLY A 131 5.091 3.295 10.322 1.00 51.04 H new ATOM 0 HA2 GLY A 131 6.065 0.909 9.351 1.00 32.51 H new ATOM 0 HA3 GLY A 131 6.995 2.108 10.228 1.00 32.51 H new ATOM 706 N GLU A 132 6.162 -0.794 11.145 1.00 62.30 N ATOM 707 CA GLU A 132 6.294 -1.825 12.169 1.00 42.41 C ATOM 708 C GLU A 132 7.193 -2.960 11.686 1.00 53.24 C ATOM 709 O GLU A 132 6.818 -3.728 10.800 1.00 73.42 O ATOM 710 CB GLU A 132 4.918 -2.375 12.550 1.00 24.52 C ATOM 711 CG GLU A 132 4.801 -2.756 14.017 1.00 54.40 C ATOM 712 CD GLU A 132 3.918 -3.970 14.235 1.00 44.34 C ATOM 713 OE1 GLU A 132 2.690 -3.792 14.376 1.00 65.21 O ATOM 714 OE2 GLU A 132 4.456 -5.096 14.265 1.00 31.23 O ATOM 0 H GLU A 132 5.979 -1.151 10.207 1.00 62.30 H new ATOM 0 HA GLU A 132 6.752 -1.372 13.048 1.00 42.41 H new ATOM 0 HB2 GLU A 132 4.160 -1.628 12.315 1.00 24.52 H new ATOM 0 HB3 GLU A 132 4.703 -3.251 11.937 1.00 24.52 H new ATOM 0 HG2 GLU A 132 5.795 -2.958 14.417 1.00 54.40 H new ATOM 0 HG3 GLU A 132 4.397 -1.912 14.577 1.00 54.40 H new ATOM 721 N PHE A 133 8.380 -3.058 12.273 1.00 21.44 N ATOM 722 CA PHE A 133 9.333 -4.098 11.903 1.00 54.23 C ATOM 723 C PHE A 133 8.841 -5.471 12.351 1.00 5.54 C ATOM 724 O PHE A 133 8.741 -5.746 13.547 1.00 63.12 O ATOM 725 CB PHE A 133 10.703 -3.807 12.519 1.00 32.31 C ATOM 726 CG PHE A 133 11.844 -4.000 11.563 1.00 42.34 C ATOM 727 CD1 PHE A 133 12.112 -3.057 10.583 1.00 1.52 C ATOM 728 CD2 PHE A 133 12.649 -5.125 11.642 1.00 25.33 C ATOM 729 CE1 PHE A 133 13.161 -3.233 9.701 1.00 61.42 C ATOM 730 CE2 PHE A 133 13.701 -5.306 10.763 1.00 54.24 C ATOM 731 CZ PHE A 133 13.958 -4.359 9.791 1.00 14.32 C ATOM 0 H PHE A 133 8.706 -2.430 13.008 1.00 21.44 H new ATOM 0 HA PHE A 133 9.425 -4.102 10.817 1.00 54.23 H new ATOM 0 HB2 PHE A 133 10.717 -2.781 12.886 1.00 32.31 H new ATOM 0 HB3 PHE A 133 10.849 -4.456 13.382 1.00 32.31 H new ATOM 0 HD1 PHE A 133 11.494 -2.175 10.508 1.00 1.52 H new ATOM 0 HD2 PHE A 133 12.452 -5.870 12.399 1.00 25.33 H new ATOM 0 HE1 PHE A 133 13.358 -2.491 8.941 1.00 61.42 H new ATOM 0 HE2 PHE A 133 14.321 -6.187 10.836 1.00 54.24 H new ATOM 0 HZ PHE A 133 14.779 -4.498 9.103 1.00 14.32 H new ATOM 741 N VAL A 134 8.536 -6.329 11.383 1.00 24.11 N ATOM 742 CA VAL A 134 8.057 -7.673 11.678 1.00 74.35 C ATOM 743 C VAL A 134 9.163 -8.705 11.493 1.00 44.05 C ATOM 744 O VAL A 134 10.306 -8.358 11.195 1.00 4.00 O ATOM 745 CB VAL A 134 6.863 -8.052 10.780 1.00 74.25 C ATOM 746 CG1 VAL A 134 5.700 -7.099 11.007 1.00 23.03 C ATOM 747 CG2 VAL A 134 7.279 -8.060 9.316 1.00 13.43 C ATOM 0 H VAL A 134 8.612 -6.117 10.388 1.00 24.11 H new ATOM 0 HA VAL A 134 7.735 -7.672 12.720 1.00 74.35 H new ATOM 0 HB VAL A 134 6.535 -9.057 11.046 1.00 74.25 H new ATOM 0 HG11 VAL A 134 4.867 -7.383 10.364 1.00 23.03 H new ATOM 0 HG12 VAL A 134 5.387 -7.149 12.050 1.00 23.03 H new ATOM 0 HG13 VAL A 134 6.011 -6.082 10.770 1.00 23.03 H new ATOM 0 HG21 VAL A 134 6.424 -8.330 8.696 1.00 13.43 H new ATOM 0 HG22 VAL A 134 7.634 -7.069 9.033 1.00 13.43 H new ATOM 0 HG23 VAL A 134 8.078 -8.787 9.169 1.00 13.43 H new ATOM 757 N ASP A 135 8.817 -9.975 11.672 1.00 25.03 N ATOM 758 CA ASP A 135 9.782 -11.059 11.524 1.00 1.11 C ATOM 759 C ASP A 135 10.492 -10.975 10.176 1.00 10.50 C ATOM 760 O ASP A 135 11.708 -11.141 10.093 1.00 63.11 O ATOM 761 CB ASP A 135 9.085 -12.414 11.663 1.00 14.35 C ATOM 762 CG ASP A 135 9.268 -13.021 13.040 1.00 2.43 C ATOM 763 OD1 ASP A 135 10.413 -13.389 13.378 1.00 52.51 O ATOM 764 OD2 ASP A 135 8.268 -13.128 13.780 1.00 3.32 O ATOM 0 H ASP A 135 7.876 -10.279 11.920 1.00 25.03 H new ATOM 0 HA ASP A 135 10.527 -10.959 12.314 1.00 1.11 H new ATOM 0 HB2 ASP A 135 8.021 -12.294 11.461 1.00 14.35 H new ATOM 0 HB3 ASP A 135 9.477 -13.100 10.912 1.00 14.35 H new ATOM 769 N ASP A 136 9.724 -10.715 9.125 1.00 54.35 N ATOM 770 CA ASP A 136 10.278 -10.608 7.780 1.00 64.21 C ATOM 771 C ASP A 136 9.445 -9.663 6.921 1.00 43.40 C ATOM 772 O ASP A 136 8.356 -10.013 6.471 1.00 34.34 O ATOM 773 CB ASP A 136 10.346 -11.987 7.122 1.00 65.03 C ATOM 774 CG ASP A 136 11.767 -12.398 6.785 1.00 54.42 C ATOM 775 OD1 ASP A 136 12.325 -11.856 5.808 1.00 42.03 O ATOM 776 OD2 ASP A 136 12.319 -13.261 7.497 1.00 2.22 O ATOM 0 H ASP A 136 8.715 -10.574 9.178 1.00 54.35 H new ATOM 0 HA ASP A 136 11.286 -10.202 7.862 1.00 64.21 H new ATOM 0 HB2 ASP A 136 9.905 -12.727 7.790 1.00 65.03 H new ATOM 0 HB3 ASP A 136 9.747 -11.982 6.212 1.00 65.03 H new ATOM 781 N GLY A 137 9.965 -8.459 6.700 1.00 42.42 N ATOM 782 CA GLY A 137 9.255 -7.480 5.896 1.00 25.13 C ATOM 783 C GLY A 137 8.712 -6.333 6.726 1.00 64.23 C ATOM 784 O GLY A 137 9.026 -6.211 7.911 1.00 43.42 O ATOM 0 H GLY A 137 10.865 -8.144 7.063 1.00 42.42 H new ATOM 0 HA2 GLY A 137 9.926 -7.086 5.132 1.00 25.13 H new ATOM 0 HA3 GLY A 137 8.432 -7.970 5.376 1.00 25.13 H new ATOM 788 N THR A 138 7.896 -5.489 6.103 1.00 33.33 N ATOM 789 CA THR A 138 7.311 -4.345 6.791 1.00 74.12 C ATOM 790 C THR A 138 5.825 -4.215 6.476 1.00 20.33 C ATOM 791 O THR A 138 5.422 -4.256 5.314 1.00 4.41 O ATOM 792 CB THR A 138 8.022 -3.034 6.405 1.00 73.11 C ATOM 793 OG1 THR A 138 9.167 -3.318 5.593 1.00 72.13 O ATOM 794 CG2 THR A 138 8.452 -2.266 7.646 1.00 20.24 C ATOM 0 H THR A 138 7.625 -5.576 5.123 1.00 33.33 H new ATOM 0 HA THR A 138 7.440 -4.519 7.859 1.00 74.12 H new ATOM 0 HB THR A 138 7.321 -2.419 5.841 1.00 73.11 H new ATOM 0 HG1 THR A 138 9.906 -2.728 5.852 1.00 72.13 H new ATOM 0 HG21 THR A 138 8.952 -1.344 7.348 1.00 20.24 H new ATOM 0 HG22 THR A 138 7.575 -2.026 8.247 1.00 20.24 H new ATOM 0 HG23 THR A 138 9.138 -2.877 8.233 1.00 20.24 H new ATOM 802 N GLU A 139 5.015 -4.059 7.518 1.00 21.43 N ATOM 803 CA GLU A 139 3.573 -3.924 7.352 1.00 43.03 C ATOM 804 C GLU A 139 3.136 -2.475 7.544 1.00 1.14 C ATOM 805 O GLU A 139 2.966 -2.010 8.672 1.00 13.13 O ATOM 806 CB GLU A 139 2.835 -4.826 8.343 1.00 71.21 C ATOM 807 CG GLU A 139 3.433 -6.219 8.459 1.00 20.13 C ATOM 808 CD GLU A 139 2.695 -7.088 9.459 1.00 23.43 C ATOM 809 OE1 GLU A 139 2.288 -6.560 10.515 1.00 31.52 O ATOM 810 OE2 GLU A 139 2.527 -8.294 9.187 1.00 63.52 O ATOM 0 H GLU A 139 5.333 -4.023 8.486 1.00 21.43 H new ATOM 0 HA GLU A 139 3.321 -4.230 6.337 1.00 43.03 H new ATOM 0 HB2 GLU A 139 2.841 -4.354 9.325 1.00 71.21 H new ATOM 0 HB3 GLU A 139 1.792 -4.911 8.037 1.00 71.21 H new ATOM 0 HG2 GLU A 139 3.415 -6.701 7.481 1.00 20.13 H new ATOM 0 HG3 GLU A 139 4.479 -6.138 8.755 1.00 20.13 H new ATOM 817 N THR A 140 2.958 -1.764 6.435 1.00 14.15 N ATOM 818 CA THR A 140 2.543 -0.367 6.481 1.00 65.21 C ATOM 819 C THR A 140 1.052 -0.246 6.773 1.00 23.21 C ATOM 820 O THR A 140 0.215 -0.578 5.933 1.00 33.30 O ATOM 821 CB THR A 140 2.856 0.355 5.157 1.00 75.20 C ATOM 822 OG1 THR A 140 3.312 -0.588 4.180 1.00 11.43 O ATOM 823 CG2 THR A 140 3.911 1.430 5.363 1.00 41.12 C ATOM 0 H THR A 140 3.095 -2.133 5.494 1.00 14.15 H new ATOM 0 HA THR A 140 3.107 0.105 7.286 1.00 65.21 H new ATOM 0 HB THR A 140 1.941 0.830 4.803 1.00 75.20 H new ATOM 0 HG1 THR A 140 3.657 -0.108 3.398 1.00 11.43 H new ATOM 0 HG21 THR A 140 4.115 1.926 4.414 1.00 41.12 H new ATOM 0 HG22 THR A 140 3.548 2.162 6.084 1.00 41.12 H new ATOM 0 HG23 THR A 140 4.827 0.974 5.738 1.00 41.12 H new ATOM 831 N HIS A 141 0.726 0.233 7.970 1.00 52.14 N ATOM 832 CA HIS A 141 -0.667 0.400 8.372 1.00 4.44 C ATOM 833 C HIS A 141 -1.097 1.858 8.248 1.00 51.43 C ATOM 834 O HIS A 141 -0.682 2.709 9.035 1.00 54.02 O ATOM 835 CB HIS A 141 -0.864 -0.080 9.810 1.00 32.34 C ATOM 836 CG HIS A 141 -0.422 -1.494 10.036 1.00 42.21 C ATOM 837 ND1 HIS A 141 -1.213 -2.585 9.747 1.00 50.15 N ATOM 838 CD2 HIS A 141 0.739 -1.991 10.524 1.00 51.22 C ATOM 839 CE1 HIS A 141 -0.560 -3.692 10.049 1.00 64.32 C ATOM 840 NE2 HIS A 141 0.628 -3.359 10.522 1.00 32.31 N ATOM 0 H HIS A 141 1.406 0.512 8.677 1.00 52.14 H new ATOM 0 HA HIS A 141 -1.287 -0.201 7.707 1.00 4.44 H new ATOM 0 HB2 HIS A 141 -0.312 0.576 10.482 1.00 32.34 H new ATOM 0 HB3 HIS A 141 -1.918 0.009 10.073 1.00 32.34 H new ATOM 0 HD1 HIS A 141 -2.156 -2.544 9.360 1.00 50.15 H new ATOM 0 HD2 HIS A 141 1.593 -1.418 10.853 1.00 51.22 H new ATOM 0 HE1 HIS A 141 -0.933 -4.698 9.930 1.00 64.32 H new ATOM 848 N PHE A 142 -1.931 2.140 7.252 1.00 52.11 N ATOM 849 CA PHE A 142 -2.416 3.497 7.022 1.00 73.52 C ATOM 850 C PHE A 142 -3.942 3.535 7.025 1.00 32.32 C ATOM 851 O PHE A 142 -4.593 2.817 6.266 1.00 33.24 O ATOM 852 CB PHE A 142 -1.884 4.033 5.692 1.00 43.10 C ATOM 853 CG PHE A 142 -1.939 3.030 4.576 1.00 54.45 C ATOM 854 CD1 PHE A 142 -3.088 2.882 3.815 1.00 1.03 C ATOM 855 CD2 PHE A 142 -0.841 2.235 4.286 1.00 54.22 C ATOM 856 CE1 PHE A 142 -3.142 1.960 2.788 1.00 64.22 C ATOM 857 CE2 PHE A 142 -0.889 1.311 3.259 1.00 31.21 C ATOM 858 CZ PHE A 142 -2.040 1.174 2.509 1.00 41.03 C ATOM 0 H PHE A 142 -2.285 1.448 6.592 1.00 52.11 H new ATOM 0 HA PHE A 142 -2.052 4.129 7.832 1.00 73.52 H new ATOM 0 HB2 PHE A 142 -2.461 4.913 5.407 1.00 43.10 H new ATOM 0 HB3 PHE A 142 -0.852 4.358 5.827 1.00 43.10 H new ATOM 0 HD1 PHE A 142 -3.951 3.495 4.028 1.00 1.03 H new ATOM 0 HD2 PHE A 142 0.062 2.339 4.869 1.00 54.22 H new ATOM 0 HE1 PHE A 142 -4.044 1.853 2.204 1.00 64.22 H new ATOM 0 HE2 PHE A 142 -0.027 0.697 3.044 1.00 31.21 H new ATOM 0 HZ PHE A 142 -2.079 0.454 1.705 1.00 41.03 H new ATOM 868 N SER A 143 -4.505 4.379 7.885 1.00 65.22 N ATOM 869 CA SER A 143 -5.954 4.509 7.990 1.00 41.33 C ATOM 870 C SER A 143 -6.485 5.508 6.966 1.00 2.34 C ATOM 871 O SER A 143 -5.750 6.367 6.480 1.00 63.34 O ATOM 872 CB SER A 143 -6.345 4.951 9.401 1.00 32.43 C ATOM 873 OG SER A 143 -5.711 6.169 9.749 1.00 35.53 O ATOM 0 H SER A 143 -3.980 4.982 8.518 1.00 65.22 H new ATOM 0 HA SER A 143 -6.398 3.535 7.785 1.00 41.33 H new ATOM 0 HB2 SER A 143 -7.427 5.071 9.461 1.00 32.43 H new ATOM 0 HB3 SER A 143 -6.070 4.177 10.117 1.00 32.43 H new ATOM 0 HG SER A 143 -5.979 6.430 10.655 1.00 35.53 H new ATOM 879 N VAL A 144 -7.769 5.389 6.645 1.00 62.31 N ATOM 880 CA VAL A 144 -8.402 6.281 5.680 1.00 24.25 C ATOM 881 C VAL A 144 -9.882 6.467 5.992 1.00 61.25 C ATOM 882 O VAL A 144 -10.698 5.583 5.733 1.00 3.31 O ATOM 883 CB VAL A 144 -8.254 5.749 4.243 1.00 41.24 C ATOM 884 CG1 VAL A 144 -8.950 6.674 3.256 1.00 21.13 C ATOM 885 CG2 VAL A 144 -6.785 5.583 3.884 1.00 5.01 C ATOM 0 H VAL A 144 -8.392 4.684 7.039 1.00 62.31 H new ATOM 0 HA VAL A 144 -7.894 7.242 5.757 1.00 24.25 H new ATOM 0 HB VAL A 144 -8.731 4.771 4.187 1.00 41.24 H new ATOM 0 HG11 VAL A 144 -8.834 6.281 2.246 1.00 21.13 H new ATOM 0 HG12 VAL A 144 -10.010 6.737 3.502 1.00 21.13 H new ATOM 0 HG13 VAL A 144 -8.505 7.667 3.312 1.00 21.13 H new ATOM 0 HG21 VAL A 144 -6.700 5.206 2.865 1.00 5.01 H new ATOM 0 HG22 VAL A 144 -6.281 6.547 3.958 1.00 5.01 H new ATOM 0 HG23 VAL A 144 -6.320 4.877 4.572 1.00 5.01 H new ATOM 895 N GLY A 145 -10.223 7.625 6.550 1.00 52.14 N ATOM 896 CA GLY A 145 -11.606 7.906 6.887 1.00 13.32 C ATOM 897 C GLY A 145 -12.229 6.817 7.736 1.00 22.25 C ATOM 898 O GLY A 145 -11.834 6.611 8.883 1.00 2.23 O ATOM 0 H GLY A 145 -9.566 8.373 6.774 1.00 52.14 H new ATOM 0 HA2 GLY A 145 -11.661 8.855 7.421 1.00 13.32 H new ATOM 0 HA3 GLY A 145 -12.184 8.022 5.970 1.00 13.32 H new ATOM 902 N ASN A 146 -13.208 6.116 7.172 1.00 11.10 N ATOM 903 CA ASN A 146 -13.890 5.042 7.886 1.00 3.54 C ATOM 904 C ASN A 146 -13.537 3.684 7.290 1.00 42.13 C ATOM 905 O ASN A 146 -14.308 2.729 7.394 1.00 64.14 O ATOM 906 CB ASN A 146 -15.405 5.254 7.843 1.00 4.14 C ATOM 907 CG ASN A 146 -15.869 6.306 8.832 1.00 74.24 C ATOM 908 OD1 ASN A 146 -15.113 7.205 9.201 1.00 74.35 O ATOM 909 ND2 ASN A 146 -17.120 6.198 9.266 1.00 40.34 N ATOM 0 H ASN A 146 -13.547 6.273 6.223 1.00 11.10 H new ATOM 0 HA ASN A 146 -13.558 5.060 8.924 1.00 3.54 H new ATOM 0 HB2 ASN A 146 -15.699 5.551 6.836 1.00 4.14 H new ATOM 0 HB3 ASN A 146 -15.908 4.311 8.057 1.00 4.14 H new ATOM 0 HD21 ASN A 146 -17.489 6.877 9.932 1.00 40.34 H new ATOM 0 HD22 ASN A 146 -17.711 5.436 8.933 1.00 40.34 H new ATOM 916 N HIS A 147 -12.367 3.603 6.664 1.00 50.44 N ATOM 917 CA HIS A 147 -11.911 2.361 6.051 1.00 21.22 C ATOM 918 C HIS A 147 -10.540 1.961 6.587 1.00 51.31 C ATOM 919 O HIS A 147 -9.804 2.793 7.119 1.00 10.44 O ATOM 920 CB HIS A 147 -11.854 2.509 4.530 1.00 24.12 C ATOM 921 CG HIS A 147 -13.076 3.146 3.944 1.00 4.34 C ATOM 922 ND1 HIS A 147 -14.358 2.767 4.281 1.00 22.42 N ATOM 923 CD2 HIS A 147 -13.205 4.144 3.039 1.00 15.34 C ATOM 924 CE1 HIS A 147 -15.224 3.503 3.607 1.00 4.32 C ATOM 925 NE2 HIS A 147 -14.551 4.347 2.847 1.00 63.10 N ATOM 0 H HIS A 147 -11.717 4.383 6.568 1.00 50.44 H new ATOM 0 HA HIS A 147 -12.624 1.576 6.306 1.00 21.22 H new ATOM 0 HB2 HIS A 147 -10.981 3.104 4.264 1.00 24.12 H new ATOM 0 HB3 HIS A 147 -11.717 1.525 4.082 1.00 24.12 H new ATOM 0 HD2 HIS A 147 -12.401 4.681 2.558 1.00 15.34 H new ATOM 0 HE1 HIS A 147 -16.300 3.427 3.668 1.00 4.32 H new ATOM 0 HE2 HIS A 147 -14.963 5.038 2.219 1.00 63.10 H new ATOM 933 N ASP A 148 -10.203 0.685 6.444 1.00 61.44 N ATOM 934 CA ASP A 148 -8.919 0.175 6.914 1.00 72.34 C ATOM 935 C ASP A 148 -8.122 -0.433 5.763 1.00 11.43 C ATOM 936 O ASP A 148 -8.598 -1.335 5.074 1.00 65.12 O ATOM 937 CB ASP A 148 -9.132 -0.869 8.010 1.00 74.23 C ATOM 938 CG ASP A 148 -8.000 -0.889 9.018 1.00 61.12 C ATOM 939 OD1 ASP A 148 -6.863 -1.229 8.627 1.00 4.33 O ATOM 940 OD2 ASP A 148 -8.250 -0.564 10.198 1.00 44.13 O ATOM 0 H ASP A 148 -10.800 -0.016 6.006 1.00 61.44 H new ATOM 0 HA ASP A 148 -8.352 1.010 7.324 1.00 72.34 H new ATOM 0 HB2 ASP A 148 -10.070 -0.664 8.526 1.00 74.23 H new ATOM 0 HB3 ASP A 148 -9.227 -1.855 7.555 1.00 74.23 H new ATOM 945 N CYS A 149 -6.909 0.070 5.561 1.00 34.13 N ATOM 946 CA CYS A 149 -6.046 -0.422 4.494 1.00 62.14 C ATOM 947 C CYS A 149 -4.589 -0.458 4.944 1.00 71.12 C ATOM 948 O CYS A 149 -4.187 0.287 5.839 1.00 71.24 O ATOM 949 CB CYS A 149 -6.187 0.458 3.250 1.00 64.11 C ATOM 950 SG CYS A 149 -6.416 2.215 3.611 1.00 31.32 S ATOM 0 H CYS A 149 -6.501 0.818 6.122 1.00 34.13 H new ATOM 0 HA CYS A 149 -6.356 -1.438 4.249 1.00 62.14 H new ATOM 0 HB2 CYS A 149 -5.298 0.338 2.631 1.00 64.11 H new ATOM 0 HB3 CYS A 149 -7.035 0.105 2.663 1.00 64.11 H new ATOM 0 HG CYS A 149 -5.287 2.841 3.454 1.00 31.32 H new ATOM 956 N TYR A 150 -3.804 -1.329 4.321 1.00 72.12 N ATOM 957 CA TYR A 150 -2.393 -1.465 4.660 1.00 25.24 C ATOM 958 C TYR A 150 -1.611 -2.078 3.503 1.00 44.34 C ATOM 959 O TYR A 150 -2.143 -2.878 2.733 1.00 33.34 O ATOM 960 CB TYR A 150 -2.229 -2.327 5.914 1.00 53.23 C ATOM 961 CG TYR A 150 -2.705 -3.751 5.735 1.00 31.11 C ATOM 962 CD1 TYR A 150 -1.857 -4.730 5.232 1.00 21.34 C ATOM 963 CD2 TYR A 150 -4.003 -4.118 6.070 1.00 24.45 C ATOM 964 CE1 TYR A 150 -2.287 -6.032 5.067 1.00 65.10 C ATOM 965 CE2 TYR A 150 -4.441 -5.419 5.910 1.00 42.14 C ATOM 966 CZ TYR A 150 -3.580 -6.372 5.407 1.00 5.43 C ATOM 967 OH TYR A 150 -4.012 -7.668 5.246 1.00 55.15 O ATOM 0 H TYR A 150 -4.121 -1.952 3.578 1.00 72.12 H new ATOM 0 HA TYR A 150 -1.995 -0.469 4.856 1.00 25.24 H new ATOM 0 HB2 TYR A 150 -1.178 -2.337 6.203 1.00 53.23 H new ATOM 0 HB3 TYR A 150 -2.781 -1.869 6.735 1.00 53.23 H new ATOM 0 HD1 TYR A 150 -0.844 -4.468 4.965 1.00 21.34 H new ATOM 0 HD2 TYR A 150 -4.681 -3.374 6.462 1.00 24.45 H new ATOM 0 HE1 TYR A 150 -1.615 -6.780 4.674 1.00 65.10 H new ATOM 0 HE2 TYR A 150 -5.452 -5.688 6.177 1.00 42.14 H new ATOM 0 HH TYR A 150 -4.946 -7.740 5.533 1.00 55.15 H new ATOM 977 N ILE A 151 -0.343 -1.697 3.386 1.00 4.51 N ATOM 978 CA ILE A 151 0.514 -2.208 2.324 1.00 24.32 C ATOM 979 C ILE A 151 1.381 -3.359 2.825 1.00 25.04 C ATOM 980 O ILE A 151 2.254 -3.169 3.673 1.00 61.22 O ATOM 981 CB ILE A 151 1.424 -1.105 1.754 1.00 14.52 C ATOM 982 CG1 ILE A 151 0.686 -0.316 0.670 1.00 3.42 C ATOM 983 CG2 ILE A 151 2.705 -1.709 1.197 1.00 34.31 C ATOM 984 CD1 ILE A 151 1.443 0.902 0.188 1.00 24.25 C ATOM 0 H ILE A 151 0.113 -1.036 4.014 1.00 4.51 H new ATOM 0 HA ILE A 151 -0.144 -2.568 1.533 1.00 24.32 H new ATOM 0 HB ILE A 151 1.689 -0.421 2.560 1.00 14.52 H new ATOM 0 HG12 ILE A 151 0.493 -0.973 -0.178 1.00 3.42 H new ATOM 0 HG13 ILE A 151 -0.283 -0.002 1.057 1.00 3.42 H new ATOM 0 HG21 ILE A 151 3.338 -0.916 0.798 1.00 34.31 H new ATOM 0 HG22 ILE A 151 3.237 -2.232 1.992 1.00 34.31 H new ATOM 0 HG23 ILE A 151 2.460 -2.413 0.401 1.00 34.31 H new ATOM 0 HD11 ILE A 151 0.861 1.412 -0.579 1.00 24.25 H new ATOM 0 HD12 ILE A 151 1.613 1.579 1.025 1.00 24.25 H new ATOM 0 HD13 ILE A 151 2.401 0.593 -0.230 1.00 24.25 H new ATOM 996 N LYS A 152 1.137 -4.551 2.294 1.00 74.25 N ATOM 997 CA LYS A 152 1.897 -5.734 2.683 1.00 52.31 C ATOM 998 C LYS A 152 3.242 -5.776 1.965 1.00 21.22 C ATOM 999 O LYS A 152 3.318 -6.126 0.788 1.00 50.34 O ATOM 1000 CB LYS A 152 1.100 -7.002 2.371 1.00 24.32 C ATOM 1001 CG LYS A 152 1.914 -8.279 2.502 1.00 14.44 C ATOM 1002 CD LYS A 152 1.025 -9.481 2.773 1.00 44.32 C ATOM 1003 CE LYS A 152 1.407 -10.176 4.070 1.00 32.32 C ATOM 1004 NZ LYS A 152 1.298 -11.658 3.959 1.00 22.03 N ATOM 0 H LYS A 152 0.418 -4.725 1.592 1.00 74.25 H new ATOM 0 HA LYS A 152 2.080 -5.682 3.756 1.00 52.31 H new ATOM 0 HB2 LYS A 152 0.243 -7.057 3.042 1.00 24.32 H new ATOM 0 HB3 LYS A 152 0.707 -6.934 1.357 1.00 24.32 H new ATOM 0 HG2 LYS A 152 2.483 -8.445 1.587 1.00 14.44 H new ATOM 0 HG3 LYS A 152 2.636 -8.170 3.311 1.00 14.44 H new ATOM 0 HD2 LYS A 152 -0.016 -9.161 2.823 1.00 44.32 H new ATOM 0 HD3 LYS A 152 1.102 -10.186 1.945 1.00 44.32 H new ATOM 0 HE2 LYS A 152 2.428 -9.906 4.339 1.00 32.32 H new ATOM 0 HE3 LYS A 152 0.761 -9.824 4.875 1.00 32.32 H new ATOM 0 HZ1 LYS A 152 1.567 -12.095 4.864 1.00 22.03 H new ATOM 0 HZ2 LYS A 152 0.318 -11.918 3.727 1.00 22.03 H new ATOM 0 HZ3 LYS A 152 1.933 -11.998 3.209 1.00 22.03 H new ATOM 1018 N ALA A 153 4.302 -5.418 2.682 1.00 23.04 N ATOM 1019 CA ALA A 153 5.644 -5.419 2.115 1.00 43.11 C ATOM 1020 C ALA A 153 6.403 -6.684 2.502 1.00 64.13 C ATOM 1021 O ALA A 153 6.254 -7.195 3.612 1.00 51.22 O ATOM 1022 CB ALA A 153 6.410 -4.183 2.567 1.00 75.41 C ATOM 0 H ALA A 153 4.257 -5.123 3.657 1.00 23.04 H new ATOM 0 HA ALA A 153 5.552 -5.399 1.029 1.00 43.11 H new ATOM 0 HB1 ALA A 153 7.411 -4.197 2.136 1.00 75.41 H new ATOM 0 HB2 ALA A 153 5.885 -3.288 2.235 1.00 75.41 H new ATOM 0 HB3 ALA A 153 6.484 -4.178 3.654 1.00 75.41 H new ATOM 1028 N VAL A 154 7.219 -7.185 1.579 1.00 34.45 N ATOM 1029 CA VAL A 154 8.001 -8.390 1.824 1.00 63.40 C ATOM 1030 C VAL A 154 9.345 -8.330 1.105 1.00 55.43 C ATOM 1031 O VAL A 154 9.401 -8.131 -0.109 1.00 20.52 O ATOM 1032 CB VAL A 154 7.245 -9.653 1.370 1.00 4.31 C ATOM 1033 CG1 VAL A 154 8.021 -10.906 1.748 1.00 0.32 C ATOM 1034 CG2 VAL A 154 5.847 -9.681 1.969 1.00 10.41 C ATOM 0 H VAL A 154 7.355 -6.774 0.655 1.00 34.45 H new ATOM 0 HA VAL A 154 8.169 -8.443 2.900 1.00 63.40 H new ATOM 0 HB VAL A 154 7.150 -9.628 0.284 1.00 4.31 H new ATOM 0 HG11 VAL A 154 7.471 -11.788 1.419 1.00 0.32 H new ATOM 0 HG12 VAL A 154 8.999 -10.888 1.266 1.00 0.32 H new ATOM 0 HG13 VAL A 154 8.150 -10.942 2.830 1.00 0.32 H new ATOM 0 HG21 VAL A 154 5.327 -10.580 1.638 1.00 10.41 H new ATOM 0 HG22 VAL A 154 5.917 -9.682 3.057 1.00 10.41 H new ATOM 0 HG23 VAL A 154 5.293 -8.801 1.642 1.00 10.41 H new ATOM 1044 N SER A 155 10.423 -8.502 1.861 1.00 11.45 N ATOM 1045 CA SER A 155 11.767 -8.462 1.298 1.00 42.34 C ATOM 1046 C SER A 155 12.250 -9.866 0.947 1.00 24.42 C ATOM 1047 O SER A 155 12.020 -10.817 1.694 1.00 65.43 O ATOM 1048 CB SER A 155 12.737 -7.807 2.281 1.00 5.13 C ATOM 1049 OG SER A 155 13.423 -8.782 3.048 1.00 53.11 O ATOM 0 H SER A 155 10.392 -8.671 2.866 1.00 11.45 H new ATOM 0 HA SER A 155 11.734 -7.869 0.384 1.00 42.34 H new ATOM 0 HB2 SER A 155 13.457 -7.197 1.735 1.00 5.13 H new ATOM 0 HB3 SER A 155 12.190 -7.137 2.944 1.00 5.13 H new ATOM 0 HG SER A 155 14.038 -8.337 3.668 1.00 53.11 H new ATOM 1055 N SER A 156 12.922 -9.988 -0.193 1.00 42.33 N ATOM 1056 CA SER A 156 13.435 -11.276 -0.644 1.00 40.35 C ATOM 1057 C SER A 156 14.811 -11.118 -1.286 1.00 33.24 C ATOM 1058 O SER A 156 15.096 -10.110 -1.930 1.00 74.20 O ATOM 1059 CB SER A 156 12.466 -11.914 -1.643 1.00 14.45 C ATOM 1060 OG SER A 156 11.254 -11.183 -1.714 1.00 15.52 O ATOM 0 H SER A 156 13.124 -9.210 -0.821 1.00 42.33 H new ATOM 0 HA SER A 156 13.530 -11.926 0.226 1.00 40.35 H new ATOM 0 HB2 SER A 156 12.929 -11.954 -2.629 1.00 14.45 H new ATOM 0 HB3 SER A 156 12.258 -12.942 -1.347 1.00 14.45 H new ATOM 0 HG SER A 156 10.652 -11.609 -2.360 1.00 15.52 H new ATOM 1066 N GLY A 157 15.662 -12.124 -1.101 1.00 53.33 N ATOM 1067 CA GLY A 157 16.997 -12.078 -1.666 1.00 53.24 C ATOM 1068 C GLY A 157 18.070 -12.393 -0.644 1.00 23.22 C ATOM 1069 O GLY A 157 17.770 -12.670 0.518 1.00 44.13 O ATOM 0 H GLY A 157 15.450 -12.969 -0.570 1.00 53.33 H new ATOM 0 HA2 GLY A 157 17.064 -12.789 -2.490 1.00 53.24 H new ATOM 0 HA3 GLY A 157 17.177 -11.088 -2.084 1.00 53.24 H new ATOM 1073 N LYS A 158 19.327 -12.355 -1.075 1.00 15.51 N ATOM 1074 CA LYS A 158 20.449 -12.639 -0.190 1.00 2.44 C ATOM 1075 C LYS A 158 20.382 -11.778 1.068 1.00 44.30 C ATOM 1076 O LYS A 158 20.341 -12.295 2.184 1.00 13.31 O ATOM 1077 CB LYS A 158 21.774 -12.395 -0.917 1.00 40.31 C ATOM 1078 CG LYS A 158 22.401 -13.659 -1.478 1.00 32.22 C ATOM 1079 CD LYS A 158 23.626 -13.348 -2.319 1.00 45.33 C ATOM 1080 CE LYS A 158 23.454 -13.823 -3.754 1.00 73.11 C ATOM 1081 NZ LYS A 158 24.741 -14.279 -4.347 1.00 5.11 N ATOM 0 H LYS A 158 19.593 -12.130 -2.034 1.00 15.51 H new ATOM 0 HA LYS A 158 20.390 -13.687 0.104 1.00 2.44 H new ATOM 0 HB2 LYS A 158 21.608 -11.690 -1.731 1.00 40.31 H new ATOM 0 HB3 LYS A 158 22.476 -11.926 -0.228 1.00 40.31 H new ATOM 0 HG2 LYS A 158 22.680 -14.322 -0.659 1.00 32.22 H new ATOM 0 HG3 LYS A 158 21.668 -14.192 -2.084 1.00 32.22 H new ATOM 0 HD2 LYS A 158 23.811 -12.274 -2.310 1.00 45.33 H new ATOM 0 HD3 LYS A 158 24.501 -13.826 -1.879 1.00 45.33 H new ATOM 0 HE2 LYS A 158 22.732 -14.639 -3.782 1.00 73.11 H new ATOM 0 HE3 LYS A 158 23.043 -13.014 -4.357 1.00 73.11 H new ATOM 0 HZ1 LYS A 158 24.580 -14.594 -5.325 1.00 5.11 H new ATOM 0 HZ2 LYS A 158 25.422 -13.493 -4.344 1.00 5.11 H new ATOM 0 HZ3 LYS A 158 25.121 -15.069 -3.787 1.00 5.11 H new ATOM 1095 N ARG A 159 20.370 -10.462 0.880 1.00 51.35 N ATOM 1096 CA ARG A 159 20.307 -9.530 1.998 1.00 23.42 C ATOM 1097 C ARG A 159 19.595 -8.242 1.594 1.00 20.01 C ATOM 1098 O ARG A 159 20.234 -7.228 1.314 1.00 31.31 O ATOM 1099 CB ARG A 159 21.716 -9.210 2.503 1.00 74.54 C ATOM 1100 CG ARG A 159 22.690 -8.846 1.395 1.00 4.22 C ATOM 1101 CD ARG A 159 23.754 -7.876 1.886 1.00 14.51 C ATOM 1102 NE ARG A 159 23.403 -6.488 1.598 1.00 32.11 N ATOM 1103 CZ ARG A 159 24.166 -5.453 1.931 1.00 43.25 C ATOM 1104 NH1 ARG A 159 25.317 -5.648 2.558 1.00 33.31 N ATOM 1105 NH2 ARG A 159 23.779 -4.219 1.633 1.00 14.44 N ATOM 0 H ARG A 159 20.403 -10.018 -0.038 1.00 51.35 H new ATOM 0 HA ARG A 159 19.739 -10.002 2.800 1.00 23.42 H new ATOM 0 HB2 ARG A 159 21.660 -8.384 3.212 1.00 74.54 H new ATOM 0 HB3 ARG A 159 22.103 -10.072 3.047 1.00 74.54 H new ATOM 0 HG2 ARG A 159 23.167 -9.750 1.017 1.00 4.22 H new ATOM 0 HG3 ARG A 159 22.146 -8.400 0.562 1.00 4.22 H new ATOM 0 HD2 ARG A 159 23.890 -8.000 2.960 1.00 14.51 H new ATOM 0 HD3 ARG A 159 24.707 -8.114 1.414 1.00 14.51 H new ATOM 0 HE ARG A 159 22.524 -6.303 1.115 1.00 32.11 H new ATOM 0 HH11 ARG A 159 25.619 -6.595 2.786 1.00 33.31 H new ATOM 0 HH12 ARG A 159 25.901 -4.851 2.812 1.00 33.31 H new ATOM 0 HH21 ARG A 159 22.895 -4.065 1.148 1.00 14.44 H new ATOM 0 HH22 ARG A 159 24.365 -3.425 1.889 1.00 14.44 H new ATOM 1119 N LYS A 160 18.267 -8.290 1.566 1.00 30.31 N ATOM 1120 CA LYS A 160 17.467 -7.129 1.197 1.00 44.10 C ATOM 1121 C LYS A 160 17.770 -6.691 -0.232 1.00 50.34 C ATOM 1122 O LYS A 160 18.141 -5.544 -0.474 1.00 12.44 O ATOM 1123 CB LYS A 160 17.735 -5.971 2.163 1.00 73.52 C ATOM 1124 CG LYS A 160 16.731 -4.838 2.047 1.00 15.21 C ATOM 1125 CD LYS A 160 17.182 -3.612 2.822 1.00 13.55 C ATOM 1126 CE LYS A 160 16.693 -3.651 4.262 1.00 53.30 C ATOM 1127 NZ LYS A 160 17.568 -2.854 5.167 1.00 72.34 N ATOM 0 H LYS A 160 17.722 -9.122 1.795 1.00 30.31 H new ATOM 0 HA LYS A 160 16.416 -7.410 1.258 1.00 44.10 H new ATOM 0 HB2 LYS A 160 17.725 -6.351 3.184 1.00 73.52 H new ATOM 0 HB3 LYS A 160 18.735 -5.579 1.979 1.00 73.52 H new ATOM 0 HG2 LYS A 160 16.596 -4.577 0.997 1.00 15.21 H new ATOM 0 HG3 LYS A 160 15.762 -5.170 2.420 1.00 15.21 H new ATOM 0 HD2 LYS A 160 18.270 -3.551 2.808 1.00 13.55 H new ATOM 0 HD3 LYS A 160 16.806 -2.713 2.333 1.00 13.55 H new ATOM 0 HE2 LYS A 160 15.674 -3.266 4.310 1.00 53.30 H new ATOM 0 HE3 LYS A 160 16.660 -4.685 4.606 1.00 53.30 H new ATOM 0 HZ1 LYS A 160 17.201 -2.906 6.139 1.00 72.34 H new ATOM 0 HZ2 LYS A 160 18.535 -3.237 5.141 1.00 72.34 H new ATOM 0 HZ3 LYS A 160 17.580 -1.862 4.854 1.00 72.34 H new ATOM 1141 N GLU A 161 17.606 -7.614 -1.176 1.00 11.30 N ATOM 1142 CA GLU A 161 17.861 -7.320 -2.581 1.00 61.53 C ATOM 1143 C GLU A 161 16.594 -6.825 -3.272 1.00 43.53 C ATOM 1144 O GLU A 161 16.497 -5.659 -3.651 1.00 1.31 O ATOM 1145 CB GLU A 161 18.392 -8.565 -3.296 1.00 61.32 C ATOM 1146 CG GLU A 161 19.853 -8.461 -3.698 1.00 22.35 C ATOM 1147 CD GLU A 161 20.135 -9.093 -5.046 1.00 71.11 C ATOM 1148 OE1 GLU A 161 19.978 -10.326 -5.169 1.00 12.05 O ATOM 1149 OE2 GLU A 161 20.513 -8.355 -5.980 1.00 71.44 O ATOM 0 H GLU A 161 17.298 -8.569 -0.993 1.00 11.30 H new ATOM 0 HA GLU A 161 18.612 -6.532 -2.631 1.00 61.53 H new ATOM 0 HB2 GLU A 161 18.264 -9.430 -2.645 1.00 61.32 H new ATOM 0 HB3 GLU A 161 17.791 -8.746 -4.187 1.00 61.32 H new ATOM 0 HG2 GLU A 161 20.144 -7.411 -3.726 1.00 22.35 H new ATOM 0 HG3 GLU A 161 20.470 -8.943 -2.939 1.00 22.35 H new ATOM 1156 N GLY A 162 15.625 -7.721 -3.435 1.00 23.32 N ATOM 1157 CA GLY A 162 14.378 -7.357 -4.080 1.00 45.20 C ATOM 1158 C GLY A 162 13.205 -7.362 -3.120 1.00 52.21 C ATOM 1159 O GLY A 162 12.980 -8.341 -2.409 1.00 65.45 O ATOM 0 H GLY A 162 15.682 -8.693 -3.131 1.00 23.32 H new ATOM 0 HA2 GLY A 162 14.477 -6.366 -4.522 1.00 45.20 H new ATOM 0 HA3 GLY A 162 14.178 -8.052 -4.896 1.00 45.20 H new ATOM 1163 N ILE A 163 12.456 -6.265 -3.098 1.00 45.44 N ATOM 1164 CA ILE A 163 11.301 -6.146 -2.217 1.00 52.12 C ATOM 1165 C ILE A 163 10.022 -5.914 -3.016 1.00 44.31 C ATOM 1166 O ILE A 163 10.037 -5.242 -4.048 1.00 51.11 O ATOM 1167 CB ILE A 163 11.478 -4.998 -1.207 1.00 11.44 C ATOM 1168 CG1 ILE A 163 12.759 -5.198 -0.394 1.00 54.32 C ATOM 1169 CG2 ILE A 163 10.268 -4.910 -0.288 1.00 2.43 C ATOM 1170 CD1 ILE A 163 13.009 -4.101 0.618 1.00 34.24 C ATOM 0 H ILE A 163 12.628 -5.446 -3.680 1.00 45.44 H new ATOM 0 HA ILE A 163 11.221 -7.087 -1.673 1.00 52.12 H new ATOM 0 HB ILE A 163 11.562 -4.060 -1.756 1.00 11.44 H new ATOM 0 HG12 ILE A 163 12.705 -6.155 0.125 1.00 54.32 H new ATOM 0 HG13 ILE A 163 13.608 -5.253 -1.076 1.00 54.32 H new ATOM 0 HG21 ILE A 163 10.408 -4.094 0.421 1.00 2.43 H new ATOM 0 HG22 ILE A 163 9.373 -4.726 -0.882 1.00 2.43 H new ATOM 0 HG23 ILE A 163 10.156 -5.848 0.256 1.00 2.43 H new ATOM 0 HD11 ILE A 163 13.933 -4.308 1.158 1.00 34.24 H new ATOM 0 HD12 ILE A 163 13.096 -3.144 0.103 1.00 34.24 H new ATOM 0 HD13 ILE A 163 12.179 -4.060 1.323 1.00 34.24 H new ATOM 1182 N ILE A 164 8.919 -6.472 -2.531 1.00 75.32 N ATOM 1183 CA ILE A 164 7.631 -6.323 -3.198 1.00 4.23 C ATOM 1184 C ILE A 164 6.560 -5.843 -2.224 1.00 2.11 C ATOM 1185 O ILE A 164 6.512 -6.279 -1.074 1.00 74.31 O ATOM 1186 CB ILE A 164 7.172 -7.646 -3.838 1.00 10.23 C ATOM 1187 CG1 ILE A 164 8.265 -8.201 -4.754 1.00 32.23 C ATOM 1188 CG2 ILE A 164 5.880 -7.439 -4.613 1.00 33.24 C ATOM 1189 CD1 ILE A 164 7.957 -9.579 -5.296 1.00 74.43 C ATOM 0 H ILE A 164 8.891 -7.032 -1.679 1.00 75.32 H new ATOM 0 HA ILE A 164 7.766 -5.578 -3.982 1.00 4.23 H new ATOM 0 HB ILE A 164 6.986 -8.370 -3.045 1.00 10.23 H new ATOM 0 HG12 ILE A 164 8.411 -7.515 -5.589 1.00 32.23 H new ATOM 0 HG13 ILE A 164 9.205 -8.238 -4.204 1.00 32.23 H new ATOM 0 HG21 ILE A 164 5.568 -8.383 -5.060 1.00 33.24 H new ATOM 0 HG22 ILE A 164 5.103 -7.084 -3.936 1.00 33.24 H new ATOM 0 HG23 ILE A 164 6.042 -6.702 -5.399 1.00 33.24 H new ATOM 0 HD11 ILE A 164 8.775 -9.909 -5.937 1.00 74.43 H new ATOM 0 HD12 ILE A 164 7.840 -10.278 -4.468 1.00 74.43 H new ATOM 0 HD13 ILE A 164 7.034 -9.544 -5.875 1.00 74.43 H new ATOM 1201 N HIS A 165 5.702 -4.944 -2.694 1.00 53.41 N ATOM 1202 CA HIS A 165 4.627 -4.407 -1.864 1.00 44.45 C ATOM 1203 C HIS A 165 3.263 -4.756 -2.451 1.00 11.22 C ATOM 1204 O HIS A 165 3.042 -4.635 -3.656 1.00 44.31 O ATOM 1205 CB HIS A 165 4.766 -2.889 -1.734 1.00 24.22 C ATOM 1206 CG HIS A 165 6.185 -2.428 -1.601 1.00 2.23 C ATOM 1207 ND1 HIS A 165 6.946 -2.016 -2.675 1.00 5.44 N ATOM 1208 CD2 HIS A 165 6.980 -2.311 -0.512 1.00 22.13 C ATOM 1209 CE1 HIS A 165 8.149 -1.668 -2.252 1.00 30.13 C ATOM 1210 NE2 HIS A 165 8.195 -1.838 -0.943 1.00 25.24 N ATOM 0 H HIS A 165 5.729 -4.572 -3.643 1.00 53.41 H new ATOM 0 HA HIS A 165 4.704 -4.858 -0.875 1.00 44.45 H new ATOM 0 HB2 HIS A 165 4.319 -2.415 -2.608 1.00 24.22 H new ATOM 0 HB3 HIS A 165 4.200 -2.553 -0.865 1.00 24.22 H new ATOM 0 HD2 HIS A 165 6.709 -2.546 0.507 1.00 22.13 H new ATOM 0 HE1 HIS A 165 8.957 -1.306 -2.871 1.00 30.13 H new ATOM 0 HE2 HIS A 165 9.002 -1.649 -0.349 1.00 25.24 H new ATOM 1218 N THR A 166 2.348 -5.190 -1.589 1.00 64.01 N ATOM 1219 CA THR A 166 1.006 -5.558 -2.021 1.00 3.10 C ATOM 1220 C THR A 166 -0.054 -4.839 -1.194 1.00 61.11 C ATOM 1221 O THR A 166 -0.238 -5.131 -0.011 1.00 72.43 O ATOM 1222 CB THR A 166 0.779 -7.078 -1.916 1.00 20.22 C ATOM 1223 OG1 THR A 166 1.819 -7.675 -1.132 1.00 73.50 O ATOM 1224 CG2 THR A 166 0.746 -7.717 -3.296 1.00 23.32 C ATOM 0 H THR A 166 2.513 -5.295 -0.588 1.00 64.01 H new ATOM 0 HA THR A 166 0.916 -5.256 -3.064 1.00 3.10 H new ATOM 0 HB THR A 166 -0.183 -7.247 -1.432 1.00 20.22 H new ATOM 0 HG1 THR A 166 1.667 -8.641 -1.068 1.00 73.50 H new ATOM 0 HG21 THR A 166 0.585 -8.790 -3.196 1.00 23.32 H new ATOM 0 HG22 THR A 166 -0.065 -7.281 -3.880 1.00 23.32 H new ATOM 0 HG23 THR A 166 1.694 -7.538 -3.802 1.00 23.32 H new ATOM 1232 N LEU A 167 -0.750 -3.898 -1.822 1.00 73.44 N ATOM 1233 CA LEU A 167 -1.794 -3.138 -1.145 1.00 40.11 C ATOM 1234 C LEU A 167 -2.989 -4.026 -0.815 1.00 41.01 C ATOM 1235 O LEU A 167 -3.434 -4.817 -1.647 1.00 73.14 O ATOM 1236 CB LEU A 167 -2.243 -1.962 -2.015 1.00 65.51 C ATOM 1237 CG LEU A 167 -3.511 -1.239 -1.564 1.00 15.33 C ATOM 1238 CD1 LEU A 167 -3.410 -0.847 -0.097 1.00 44.31 C ATOM 1239 CD2 LEU A 167 -3.764 -0.013 -2.429 1.00 43.41 C ATOM 0 H LEU A 167 -0.610 -3.643 -2.800 1.00 73.44 H new ATOM 0 HA LEU A 167 -1.381 -2.755 -0.212 1.00 40.11 H new ATOM 0 HB2 LEU A 167 -1.431 -1.236 -2.057 1.00 65.51 H new ATOM 0 HB3 LEU A 167 -2.398 -2.326 -3.031 1.00 65.51 H new ATOM 0 HG LEU A 167 -4.354 -1.920 -1.680 1.00 15.33 H new ATOM 0 HD11 LEU A 167 -4.322 -0.333 0.206 1.00 44.31 H new ATOM 0 HD12 LEU A 167 -3.279 -1.742 0.511 1.00 44.31 H new ATOM 0 HD13 LEU A 167 -2.556 -0.184 0.045 1.00 44.31 H new ATOM 0 HD21 LEU A 167 -4.671 0.489 -2.093 1.00 43.41 H new ATOM 0 HD22 LEU A 167 -2.919 0.671 -2.347 1.00 43.41 H new ATOM 0 HD23 LEU A 167 -3.883 -0.319 -3.468 1.00 43.41 H new ATOM 1251 N ILE A 168 -3.504 -3.888 0.402 1.00 75.44 N ATOM 1252 CA ILE A 168 -4.650 -4.677 0.840 1.00 40.13 C ATOM 1253 C ILE A 168 -5.633 -3.824 1.634 1.00 41.42 C ATOM 1254 O ILE A 168 -5.300 -3.303 2.699 1.00 53.24 O ATOM 1255 CB ILE A 168 -4.213 -5.875 1.703 1.00 5.04 C ATOM 1256 CG1 ILE A 168 -3.168 -6.711 0.961 1.00 21.12 C ATOM 1257 CG2 ILE A 168 -5.417 -6.727 2.074 1.00 25.43 C ATOM 1258 CD1 ILE A 168 -2.896 -8.051 1.610 1.00 44.42 C ATOM 0 H ILE A 168 -3.147 -3.238 1.102 1.00 75.44 H new ATOM 0 HA ILE A 168 -5.140 -5.049 -0.060 1.00 40.13 H new ATOM 0 HB ILE A 168 -3.763 -5.498 2.622 1.00 5.04 H new ATOM 0 HG12 ILE A 168 -3.505 -6.874 -0.063 1.00 21.12 H new ATOM 0 HG13 ILE A 168 -2.237 -6.148 0.905 1.00 21.12 H new ATOM 0 HG21 ILE A 168 -5.092 -7.570 2.684 1.00 25.43 H new ATOM 0 HG22 ILE A 168 -6.129 -6.124 2.638 1.00 25.43 H new ATOM 0 HG23 ILE A 168 -5.894 -7.098 1.167 1.00 25.43 H new ATOM 0 HD11 ILE A 168 -2.146 -8.590 1.031 1.00 44.42 H new ATOM 0 HD12 ILE A 168 -2.529 -7.896 2.625 1.00 44.42 H new ATOM 0 HD13 ILE A 168 -3.817 -8.633 1.642 1.00 44.42 H new ATOM 1270 N VAL A 169 -6.847 -3.686 1.109 1.00 62.23 N ATOM 1271 CA VAL A 169 -7.881 -2.898 1.770 1.00 63.31 C ATOM 1272 C VAL A 169 -9.077 -3.765 2.143 1.00 30.54 C ATOM 1273 O VAL A 169 -9.649 -4.451 1.296 1.00 61.12 O ATOM 1274 CB VAL A 169 -8.359 -1.738 0.878 1.00 54.24 C ATOM 1275 CG1 VAL A 169 -9.290 -0.817 1.652 1.00 2.32 C ATOM 1276 CG2 VAL A 169 -7.171 -0.967 0.324 1.00 42.21 C ATOM 0 H VAL A 169 -7.138 -4.110 0.228 1.00 62.23 H new ATOM 0 HA VAL A 169 -7.436 -2.488 2.677 1.00 63.31 H new ATOM 0 HB VAL A 169 -8.915 -2.154 0.038 1.00 54.24 H new ATOM 0 HG11 VAL A 169 -9.617 -0.003 1.005 1.00 2.32 H new ATOM 0 HG12 VAL A 169 -10.158 -1.381 1.994 1.00 2.32 H new ATOM 0 HG13 VAL A 169 -8.762 -0.406 2.513 1.00 2.32 H new ATOM 0 HG21 VAL A 169 -7.528 -0.151 -0.304 1.00 42.21 H new ATOM 0 HG22 VAL A 169 -6.584 -0.561 1.148 1.00 42.21 H new ATOM 0 HG23 VAL A 169 -6.548 -1.636 -0.270 1.00 42.21 H new ATOM 1286 N ASP A 170 -9.452 -3.730 3.418 1.00 64.24 N ATOM 1287 CA ASP A 170 -10.583 -4.512 3.903 1.00 13.24 C ATOM 1288 C ASP A 170 -10.315 -6.006 3.757 1.00 2.20 C ATOM 1289 O ASP A 170 -11.213 -6.778 3.427 1.00 44.10 O ATOM 1290 CB ASP A 170 -11.856 -4.133 3.145 1.00 1.24 C ATOM 1291 CG ASP A 170 -13.061 -4.018 4.058 1.00 11.20 C ATOM 1292 OD1 ASP A 170 -13.357 -4.995 4.777 1.00 72.44 O ATOM 1293 OD2 ASP A 170 -13.708 -2.949 4.054 1.00 35.22 O ATOM 0 H ASP A 170 -8.989 -3.169 4.133 1.00 64.24 H new ATOM 0 HA ASP A 170 -10.719 -4.288 4.961 1.00 13.24 H new ATOM 0 HB2 ASP A 170 -11.701 -3.184 2.632 1.00 1.24 H new ATOM 0 HB3 ASP A 170 -12.055 -4.881 2.378 1.00 1.24 H new ATOM 1298 N ASN A 171 -9.071 -6.405 4.003 1.00 72.24 N ATOM 1299 CA ASN A 171 -8.683 -7.808 3.896 1.00 2.31 C ATOM 1300 C ASN A 171 -8.883 -8.320 2.473 1.00 4.35 C ATOM 1301 O ASN A 171 -9.377 -9.428 2.265 1.00 0.13 O ATOM 1302 CB ASN A 171 -9.495 -8.659 4.875 1.00 11.54 C ATOM 1303 CG ASN A 171 -8.663 -9.750 5.519 1.00 62.34 C ATOM 1304 OD1 ASN A 171 -8.194 -9.605 6.648 1.00 71.22 O ATOM 1305 ND2 ASN A 171 -8.475 -10.852 4.800 1.00 34.44 N ATOM 0 H ASN A 171 -8.315 -5.778 4.277 1.00 72.24 H new ATOM 0 HA ASN A 171 -7.625 -7.887 4.147 1.00 2.31 H new ATOM 0 HB2 ASN A 171 -9.911 -8.017 5.651 1.00 11.54 H new ATOM 0 HB3 ASN A 171 -10.336 -9.110 4.349 1.00 11.54 H new ATOM 0 HD21 ASN A 171 -7.923 -11.621 5.180 1.00 34.44 H new ATOM 0 HD22 ASN A 171 -8.883 -10.929 3.868 1.00 34.44 H new ATOM 1312 N ARG A 172 -8.492 -7.506 1.496 1.00 20.34 N ATOM 1313 CA ARG A 172 -8.628 -7.877 0.093 1.00 32.24 C ATOM 1314 C ARG A 172 -7.407 -7.433 -0.707 1.00 33.55 C ATOM 1315 O ARG A 172 -6.995 -6.277 -0.638 1.00 12.05 O ATOM 1316 CB ARG A 172 -9.894 -7.254 -0.500 1.00 22.11 C ATOM 1317 CG ARG A 172 -11.114 -8.156 -0.413 1.00 51.43 C ATOM 1318 CD ARG A 172 -12.179 -7.749 -1.421 1.00 25.41 C ATOM 1319 NE ARG A 172 -13.520 -8.125 -0.980 1.00 72.14 N ATOM 1320 CZ ARG A 172 -14.633 -7.619 -1.500 1.00 45.14 C ATOM 1321 NH1 ARG A 172 -14.565 -6.722 -2.475 1.00 23.03 N ATOM 1322 NH2 ARG A 172 -15.817 -8.010 -1.046 1.00 61.43 N ATOM 0 H ARG A 172 -8.079 -6.586 1.651 1.00 20.34 H new ATOM 0 HA ARG A 172 -8.704 -8.963 0.035 1.00 32.24 H new ATOM 0 HB2 ARG A 172 -10.106 -6.319 0.019 1.00 22.11 H new ATOM 0 HB3 ARG A 172 -9.711 -7.004 -1.545 1.00 22.11 H new ATOM 0 HG2 ARG A 172 -10.818 -9.190 -0.592 1.00 51.43 H new ATOM 0 HG3 ARG A 172 -11.529 -8.113 0.594 1.00 51.43 H new ATOM 0 HD2 ARG A 172 -12.137 -6.671 -1.577 1.00 25.41 H new ATOM 0 HD3 ARG A 172 -11.968 -8.219 -2.382 1.00 25.41 H new ATOM 0 HE ARG A 172 -13.607 -8.813 -0.232 1.00 72.14 H new ATOM 0 HH11 ARG A 172 -13.657 -6.419 -2.827 1.00 23.03 H new ATOM 0 HH12 ARG A 172 -15.421 -6.335 -2.873 1.00 23.03 H new ATOM 0 HH21 ARG A 172 -15.873 -8.700 -0.297 1.00 61.43 H new ATOM 0 HH22 ARG A 172 -16.671 -7.621 -1.446 1.00 61.43 H new ATOM 1336 N GLU A 173 -6.833 -8.363 -1.464 1.00 72.23 N ATOM 1337 CA GLU A 173 -5.658 -8.067 -2.276 1.00 74.34 C ATOM 1338 C GLU A 173 -5.978 -7.014 -3.333 1.00 25.42 C ATOM 1339 O GLU A 173 -7.093 -6.959 -3.852 1.00 23.21 O ATOM 1340 CB GLU A 173 -5.143 -9.341 -2.949 1.00 61.24 C ATOM 1341 CG GLU A 173 -3.651 -9.316 -3.238 1.00 32.52 C ATOM 1342 CD GLU A 173 -3.173 -10.569 -3.947 1.00 2.35 C ATOM 1343 OE1 GLU A 173 -3.878 -11.037 -4.865 1.00 12.20 O ATOM 1344 OE2 GLU A 173 -2.094 -11.082 -3.583 1.00 32.24 O ATOM 0 H GLU A 173 -7.162 -9.326 -1.532 1.00 72.23 H new ATOM 0 HA GLU A 173 -4.883 -7.673 -1.619 1.00 74.34 H new ATOM 0 HB2 GLU A 173 -5.367 -10.195 -2.310 1.00 61.24 H new ATOM 0 HB3 GLU A 173 -5.683 -9.492 -3.884 1.00 61.24 H new ATOM 0 HG2 GLU A 173 -3.418 -8.445 -3.851 1.00 32.52 H new ATOM 0 HG3 GLU A 173 -3.105 -9.202 -2.301 1.00 32.52 H new ATOM 1351 N ILE A 174 -4.992 -6.180 -3.645 1.00 65.24 N ATOM 1352 CA ILE A 174 -5.167 -5.129 -4.640 1.00 24.54 C ATOM 1353 C ILE A 174 -4.141 -5.256 -5.760 1.00 51.14 C ATOM 1354 O ILE A 174 -2.941 -5.395 -5.525 1.00 11.14 O ATOM 1355 CB ILE A 174 -5.049 -3.730 -4.006 1.00 71.03 C ATOM 1356 CG1 ILE A 174 -6.160 -3.517 -2.976 1.00 41.35 C ATOM 1357 CG2 ILE A 174 -5.103 -2.655 -5.083 1.00 23.45 C ATOM 1358 CD1 ILE A 174 -7.087 -2.370 -3.315 1.00 63.04 C ATOM 0 H ILE A 174 -4.064 -6.212 -3.223 1.00 65.24 H new ATOM 0 HA ILE A 174 -6.168 -5.249 -5.054 1.00 24.54 H new ATOM 0 HB ILE A 174 -4.089 -3.658 -3.495 1.00 71.03 H new ATOM 0 HG12 ILE A 174 -6.745 -4.433 -2.890 1.00 41.35 H new ATOM 0 HG13 ILE A 174 -5.710 -3.333 -2.001 1.00 41.35 H new ATOM 0 HG21 ILE A 174 -5.019 -1.672 -4.620 1.00 23.45 H new ATOM 0 HG22 ILE A 174 -4.279 -2.799 -5.782 1.00 23.45 H new ATOM 0 HG23 ILE A 174 -6.050 -2.724 -5.619 1.00 23.45 H new ATOM 0 HD11 ILE A 174 -7.849 -2.278 -2.542 1.00 63.04 H new ATOM 0 HD12 ILE A 174 -6.514 -1.444 -3.373 1.00 63.04 H new ATOM 0 HD13 ILE A 174 -7.566 -2.561 -4.275 1.00 63.04 H new ATOM 1370 N PRO A 175 -4.623 -5.205 -7.011 1.00 43.12 N ATOM 1371 CA PRO A 175 -3.764 -5.310 -8.195 1.00 3.41 C ATOM 1372 C PRO A 175 -2.880 -4.082 -8.380 1.00 4.42 C ATOM 1373 O PRO A 175 -3.341 -2.948 -8.247 1.00 24.34 O ATOM 1374 CB PRO A 175 -4.762 -5.429 -9.349 1.00 61.30 C ATOM 1375 CG PRO A 175 -6.001 -4.772 -8.846 1.00 11.14 C ATOM 1376 CD PRO A 175 -6.042 -5.040 -7.367 1.00 61.05 C ATOM 0 HA PRO A 175 -3.073 -6.150 -8.123 1.00 3.41 H new ATOM 0 HB2 PRO A 175 -4.389 -4.937 -10.247 1.00 61.30 H new ATOM 0 HB3 PRO A 175 -4.944 -6.472 -9.609 1.00 61.30 H new ATOM 0 HG2 PRO A 175 -5.984 -3.701 -9.048 1.00 11.14 H new ATOM 0 HG3 PRO A 175 -6.885 -5.176 -9.340 1.00 11.14 H new ATOM 0 HD2 PRO A 175 -6.500 -4.215 -6.822 1.00 61.05 H new ATOM 0 HD3 PRO A 175 -6.621 -5.934 -7.137 1.00 61.05 H new ATOM 1384 N GLU A 176 -1.607 -4.315 -8.689 1.00 10.52 N ATOM 1385 CA GLU A 176 -0.660 -3.225 -8.892 1.00 45.22 C ATOM 1386 C GLU A 176 -0.607 -2.817 -10.361 1.00 41.10 C ATOM 1387 O GLU A 176 -0.353 -3.643 -11.238 1.00 54.03 O ATOM 1388 CB GLU A 176 0.735 -3.638 -8.415 1.00 54.30 C ATOM 1389 CG GLU A 176 1.812 -2.611 -8.725 1.00 50.21 C ATOM 1390 CD GLU A 176 2.910 -3.167 -9.611 1.00 55.12 C ATOM 1391 OE1 GLU A 176 3.401 -4.278 -9.320 1.00 55.43 O ATOM 1392 OE2 GLU A 176 3.278 -2.492 -10.595 1.00 3.43 O ATOM 0 H GLU A 176 -1.209 -5.247 -8.804 1.00 10.52 H new ATOM 0 HA GLU A 176 -0.998 -2.369 -8.308 1.00 45.22 H new ATOM 0 HB2 GLU A 176 0.706 -3.809 -7.339 1.00 54.30 H new ATOM 0 HB3 GLU A 176 1.004 -4.586 -8.881 1.00 54.30 H new ATOM 0 HG2 GLU A 176 1.357 -1.749 -9.214 1.00 50.21 H new ATOM 0 HG3 GLU A 176 2.249 -2.255 -7.792 1.00 50.21 H new ATOM 1399 N LEU A 177 -0.848 -1.537 -10.623 1.00 30.24 N ATOM 1400 CA LEU A 177 -0.830 -1.017 -11.985 1.00 64.12 C ATOM 1401 C LEU A 177 0.469 -1.392 -12.693 1.00 53.54 C ATOM 1402 O LEU A 177 1.561 -1.073 -12.222 1.00 22.43 O ATOM 1403 CB LEU A 177 -0.997 0.503 -11.975 1.00 15.13 C ATOM 1404 CG LEU A 177 -1.339 1.150 -13.318 1.00 43.30 C ATOM 1405 CD1 LEU A 177 -2.843 1.149 -13.543 1.00 3.54 C ATOM 1406 CD2 LEU A 177 -0.788 2.567 -13.383 1.00 22.41 C ATOM 0 H LEU A 177 -1.058 -0.840 -9.909 1.00 30.24 H new ATOM 0 HA LEU A 177 -1.662 -1.464 -12.529 1.00 64.12 H new ATOM 0 HB2 LEU A 177 -1.781 0.758 -11.262 1.00 15.13 H new ATOM 0 HB3 LEU A 177 -0.073 0.947 -11.605 1.00 15.13 H new ATOM 0 HG LEU A 177 -0.874 0.565 -14.111 1.00 43.30 H new ATOM 0 HD11 LEU A 177 -3.068 1.613 -14.503 1.00 3.54 H new ATOM 0 HD12 LEU A 177 -3.210 0.123 -13.541 1.00 3.54 H new ATOM 0 HD13 LEU A 177 -3.331 1.710 -12.746 1.00 3.54 H new ATOM 0 HD21 LEU A 177 -1.041 3.012 -14.345 1.00 22.41 H new ATOM 0 HD22 LEU A 177 -1.224 3.164 -12.582 1.00 22.41 H new ATOM 0 HD23 LEU A 177 0.296 2.542 -13.268 1.00 22.41 H new ATOM 1418 N THR A 178 0.344 -2.070 -13.830 1.00 34.21 N ATOM 1419 CA THR A 178 1.506 -2.488 -14.604 1.00 15.55 C ATOM 1420 C THR A 178 1.340 -2.137 -16.077 1.00 55.14 C ATOM 1421 O THR A 178 0.325 -2.466 -16.691 1.00 54.23 O ATOM 1422 CB THR A 178 1.754 -4.002 -14.471 1.00 52.54 C ATOM 1423 OG1 THR A 178 0.611 -4.728 -14.939 1.00 65.13 O ATOM 1424 CG2 THR A 178 2.044 -4.380 -13.027 1.00 43.54 C ATOM 0 H THR A 178 -0.552 -2.341 -14.235 1.00 34.21 H new ATOM 0 HA THR A 178 2.365 -1.951 -14.201 1.00 15.55 H new ATOM 0 HB THR A 178 2.622 -4.260 -15.078 1.00 52.54 H new ATOM 0 HG1 THR A 178 0.261 -4.301 -15.749 1.00 65.13 H new ATOM 0 HG21 THR A 178 2.216 -5.454 -12.960 1.00 43.54 H new ATOM 0 HG22 THR A 178 2.931 -3.848 -12.683 1.00 43.54 H new ATOM 0 HG23 THR A 178 1.193 -4.109 -12.402 1.00 43.54 H new ATOM 1432 N GLN A 179 2.342 -1.470 -16.639 1.00 22.10 N ATOM 1433 CA GLN A 179 2.306 -1.077 -18.043 1.00 2.33 C ATOM 1434 C GLN A 179 3.715 -0.854 -18.583 1.00 10.13 C ATOM 1435 O GLN A 179 4.377 -1.793 -19.027 1.00 53.30 O ATOM 1436 CB GLN A 179 1.475 0.196 -18.216 1.00 72.10 C ATOM 1437 CG GLN A 179 0.747 0.271 -19.549 1.00 22.21 C ATOM 1438 CD GLN A 179 0.435 1.695 -19.963 1.00 63.11 C ATOM 1439 OE1 GLN A 179 -0.212 2.441 -19.227 1.00 72.24 O ATOM 1440 NE2 GLN A 179 0.894 2.081 -21.149 1.00 11.13 N ATOM 0 H GLN A 179 3.189 -1.190 -16.144 1.00 22.10 H new ATOM 0 HA GLN A 179 1.843 -1.886 -18.609 1.00 2.33 H new ATOM 0 HB2 GLN A 179 0.745 0.256 -17.409 1.00 72.10 H new ATOM 0 HB3 GLN A 179 2.129 1.063 -18.119 1.00 72.10 H new ATOM 0 HG2 GLN A 179 1.357 -0.202 -20.319 1.00 22.21 H new ATOM 0 HG3 GLN A 179 -0.181 -0.296 -19.484 1.00 22.21 H new ATOM 0 HE21 GLN A 179 1.426 1.430 -21.727 1.00 11.13 H new ATOM 0 HE22 GLN A 179 0.714 3.028 -21.482 1.00 11.13 H new TER 1449 GLN A 179