USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 979 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 6 THR OG1 : rot 94:sc= 1.26 USER MOD Set 1.2: A 123 ASN : amide:sc= 0.911 K(o=2.2,f=-2.5!) USER MOD Set 2.1: A 63 SER OG : rot 180:sc= 0.14 USER MOD Set 2.2: A 90 THR OG1 : rot -6:sc= 0.131 USER MOD Set 3.1: A 14 MET CE :methyl 177:sc= -0.975 (180deg=-0.985) USER MOD Set 3.2: A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.3: A 112 SER OG : rot -123:sc= 0.172 USER MOD Set 4.1: A 75 ASN : amide:sc= 0.266 K(o=0.94,f=-8.1!) USER MOD Set 4.2: A 106 LYS NZ :NH3+ 156:sc= 0.674 (180deg=-0.929) USER MOD Single : A 8 SER OG : rot 140:sc= -0.1 USER MOD Single : A 10 ASN : amide:sc= -0.343 K(o=-0.34,f=-1.4) USER MOD Single : A 17 HIS : no HD1:sc= -0.255 X(o=-0.25,f=0) USER MOD Single : A 21 THR OG1 : rot -78:sc= 0.935 USER MOD Single : A 23 LYS NZ :NH3+ 147:sc= -0.0851 (180deg=-1.86!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 120:sc= -1.09 USER MOD Single : A 29 MET CE :methyl -166:sc= -0.148 (180deg=-0.555) USER MOD Single : A 35 MET CE :methyl -158:sc= -0.347 (180deg=-1.59) USER MOD Single : A 37 THR OG1 : rot -150:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -0.801 F(o=-1.6,f=-0.8) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 4:sc= 1.25 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.484 X(o=-0.48,f=-0.042) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 10:sc= 0.0852 USER MOD Single : A 62 THR OG1 : rot -140:sc= -0.126 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.0915 K(o=-0.092,f=-1.3) USER MOD Single : A 83 THR OG1 : rot 132:sc= 1.25 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= 0.221 K(o=0.22,f=-2.4!) USER MOD Single : A 94 ASN : amide:sc= -0.0486 X(o=-0.049,f=0) USER MOD Single : A 101 CYS SG : rot 154:sc= 0.303 USER MOD Single : A 102 MET CE :methyl 178:sc= -0.0963 (180deg=-0.106) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0.0531 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.0326 USER MOD Single : A 122 TYR OH : rot 3:sc= -0.201 USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N GLY A 5 8.086 -8.210 5.297 1.00 41.43 N ATOM 54 CA GLY A 5 9.264 -7.617 4.673 1.00 65.30 C ATOM 55 C GLY A 5 8.949 -7.117 3.267 1.00 60.51 C ATOM 56 O GLY A 5 8.178 -6.166 3.100 1.00 54.54 O ATOM 0 HA2 GLY A 5 9.625 -6.790 5.284 1.00 65.30 H new ATOM 0 HA3 GLY A 5 10.066 -8.354 4.629 1.00 65.30 H new ATOM 60 N THR A 6 9.557 -7.750 2.265 1.00 31.11 N ATOM 61 CA THR A 6 9.274 -7.571 0.843 1.00 1.33 C ATOM 62 C THR A 6 9.078 -8.973 0.257 1.00 1.21 C ATOM 63 O THR A 6 9.838 -9.877 0.616 1.00 14.52 O ATOM 64 CB THR A 6 10.435 -6.832 0.156 1.00 32.33 C ATOM 65 OG1 THR A 6 10.792 -5.667 0.881 1.00 64.32 O ATOM 66 CG2 THR A 6 10.108 -6.416 -1.282 1.00 53.31 C ATOM 0 H THR A 6 10.295 -8.434 2.431 1.00 31.11 H new ATOM 0 HA THR A 6 8.382 -6.965 0.686 1.00 1.33 H new ATOM 0 HB THR A 6 11.263 -7.540 0.133 1.00 32.33 H new ATOM 0 HG1 THR A 6 11.519 -5.879 1.503 1.00 64.32 H new ATOM 0 HG21 THR A 6 10.964 -5.899 -1.715 1.00 53.31 H new ATOM 0 HG22 THR A 6 9.882 -7.302 -1.875 1.00 53.31 H new ATOM 0 HG23 THR A 6 9.245 -5.750 -1.281 1.00 53.31 H new ATOM 74 N VAL A 7 8.096 -9.151 -0.634 1.00 45.14 N ATOM 75 CA VAL A 7 7.785 -10.389 -1.345 1.00 25.51 C ATOM 76 C VAL A 7 7.155 -10.069 -2.707 1.00 74.45 C ATOM 77 O VAL A 7 6.915 -8.898 -3.009 1.00 32.11 O ATOM 78 CB VAL A 7 6.834 -11.275 -0.527 1.00 3.44 C ATOM 79 CG1 VAL A 7 7.355 -11.667 0.855 1.00 22.12 C ATOM 80 CG2 VAL A 7 5.434 -10.658 -0.355 1.00 72.02 C ATOM 0 H VAL A 7 7.465 -8.392 -0.890 1.00 45.14 H new ATOM 0 HA VAL A 7 8.716 -10.935 -1.495 1.00 25.51 H new ATOM 0 HB VAL A 7 6.770 -12.179 -1.133 1.00 3.44 H new ATOM 0 HG11 VAL A 7 6.617 -12.292 1.358 1.00 22.12 H new ATOM 0 HG12 VAL A 7 8.287 -12.221 0.749 1.00 22.12 H new ATOM 0 HG13 VAL A 7 7.533 -10.768 1.445 1.00 22.12 H new ATOM 0 HG21 VAL A 7 4.809 -11.332 0.232 1.00 72.02 H new ATOM 0 HG22 VAL A 7 5.519 -9.701 0.160 1.00 72.02 H new ATOM 0 HG23 VAL A 7 4.981 -10.504 -1.335 1.00 72.02 H new ATOM 90 N SER A 8 6.861 -11.096 -3.513 1.00 53.11 N ATOM 91 CA SER A 8 6.312 -11.016 -4.858 1.00 52.33 C ATOM 92 C SER A 8 4.942 -11.703 -4.872 1.00 42.34 C ATOM 93 O SER A 8 4.787 -12.826 -5.372 1.00 3.10 O ATOM 94 CB SER A 8 7.277 -11.662 -5.861 1.00 1.21 C ATOM 95 OG SER A 8 7.842 -12.861 -5.342 1.00 52.12 O ATOM 0 H SER A 8 7.012 -12.061 -3.219 1.00 53.11 H new ATOM 0 HA SER A 8 6.185 -9.974 -5.153 1.00 52.33 H new ATOM 0 HB2 SER A 8 6.748 -11.880 -6.789 1.00 1.21 H new ATOM 0 HB3 SER A 8 8.073 -10.959 -6.106 1.00 1.21 H new ATOM 0 HG SER A 8 7.889 -13.535 -6.052 1.00 52.12 H new ATOM 101 N TRP A 9 3.941 -11.068 -4.271 1.00 70.14 N ATOM 102 CA TRP A 9 2.564 -11.517 -4.416 1.00 1.52 C ATOM 103 C TRP A 9 2.008 -11.017 -5.748 1.00 53.44 C ATOM 104 O TRP A 9 2.748 -10.623 -6.651 1.00 62.00 O ATOM 105 CB TRP A 9 1.777 -11.161 -3.136 1.00 54.35 C ATOM 106 CG TRP A 9 2.256 -11.879 -1.905 1.00 32.14 C ATOM 107 CD1 TRP A 9 3.072 -12.956 -1.914 1.00 63.54 C ATOM 108 CD2 TRP A 9 1.986 -11.611 -0.491 1.00 74.34 C ATOM 109 NE1 TRP A 9 3.316 -13.386 -0.632 1.00 44.32 N ATOM 110 CE2 TRP A 9 2.672 -12.590 0.289 1.00 62.22 C ATOM 111 CE3 TRP A 9 1.253 -10.638 0.222 1.00 53.34 C ATOM 112 CZ2 TRP A 9 2.650 -12.589 1.689 1.00 62.00 C ATOM 113 CZ3 TRP A 9 1.187 -10.654 1.629 1.00 33.31 C ATOM 114 CH2 TRP A 9 1.895 -11.619 2.366 1.00 32.53 C ATOM 0 H TRP A 9 4.058 -10.244 -3.681 1.00 70.14 H new ATOM 0 HA TRP A 9 2.473 -12.601 -4.487 1.00 1.52 H new ATOM 0 HB2 TRP A 9 1.845 -10.086 -2.967 1.00 54.35 H new ATOM 0 HB3 TRP A 9 0.724 -11.393 -3.293 1.00 54.35 H new ATOM 0 HD1 TRP A 9 3.476 -13.415 -2.804 1.00 63.54 H new ATOM 0 HE1 TRP A 9 3.898 -14.189 -0.394 1.00 44.32 H new ATOM 0 HE3 TRP A 9 0.732 -9.865 -0.323 1.00 53.34 H new ATOM 0 HZ2 TRP A 9 3.209 -13.328 2.243 1.00 62.00 H new ATOM 0 HZ3 TRP A 9 0.588 -9.919 2.146 1.00 33.31 H new ATOM 0 HH2 TRP A 9 1.858 -11.614 3.445 1.00 32.53 H new ATOM 125 N ASN A 10 0.703 -11.155 -5.918 1.00 54.35 N ATOM 126 CA ASN A 10 -0.071 -10.477 -6.956 1.00 14.51 C ATOM 127 C ASN A 10 -1.161 -9.686 -6.234 1.00 54.04 C ATOM 128 O ASN A 10 -1.537 -10.030 -5.113 1.00 12.45 O ATOM 129 CB ASN A 10 -0.590 -11.503 -7.986 1.00 54.32 C ATOM 130 CG ASN A 10 -1.945 -11.176 -8.617 1.00 51.54 C ATOM 131 OD1 ASN A 10 -2.154 -10.126 -9.218 1.00 43.31 O ATOM 132 ND2 ASN A 10 -2.921 -12.055 -8.470 1.00 64.14 N ATOM 0 H ASN A 10 0.133 -11.757 -5.324 1.00 54.35 H new ATOM 0 HA ASN A 10 0.523 -9.779 -7.545 1.00 14.51 H new ATOM 0 HB2 ASN A 10 0.148 -11.598 -8.782 1.00 54.32 H new ATOM 0 HB3 ASN A 10 -0.661 -12.476 -7.500 1.00 54.32 H new ATOM 0 HD21 ASN A 10 -3.845 -11.860 -8.855 1.00 64.14 H new ATOM 0 HD22 ASN A 10 -2.750 -12.928 -7.971 1.00 64.14 H new ATOM 139 N LEU A 11 -1.714 -8.672 -6.892 1.00 54.43 N ATOM 140 CA LEU A 11 -2.777 -7.804 -6.408 1.00 14.10 C ATOM 141 C LEU A 11 -3.918 -8.567 -5.732 1.00 61.31 C ATOM 142 O LEU A 11 -4.317 -8.215 -4.627 1.00 14.34 O ATOM 143 CB LEU A 11 -3.276 -6.982 -7.599 1.00 54.54 C ATOM 144 CG LEU A 11 -4.424 -6.014 -7.268 1.00 60.32 C ATOM 145 CD1 LEU A 11 -4.025 -4.978 -6.218 1.00 72.13 C ATOM 146 CD2 LEU A 11 -4.827 -5.332 -8.572 1.00 45.54 C ATOM 0 H LEU A 11 -1.412 -8.421 -7.834 1.00 54.43 H new ATOM 0 HA LEU A 11 -2.379 -7.154 -5.629 1.00 14.10 H new ATOM 0 HB2 LEU A 11 -2.441 -6.411 -8.005 1.00 54.54 H new ATOM 0 HB3 LEU A 11 -3.607 -7.664 -8.382 1.00 54.54 H new ATOM 0 HG LEU A 11 -5.258 -6.570 -6.839 1.00 60.32 H new ATOM 0 HD11 LEU A 11 -4.869 -4.318 -6.019 1.00 72.13 H new ATOM 0 HD12 LEU A 11 -3.736 -5.485 -5.298 1.00 72.13 H new ATOM 0 HD13 LEU A 11 -3.185 -4.390 -6.588 1.00 72.13 H new ATOM 0 HD21 LEU A 11 -5.642 -4.634 -8.381 1.00 45.54 H new ATOM 0 HD22 LEU A 11 -3.973 -4.790 -8.978 1.00 45.54 H new ATOM 0 HD23 LEU A 11 -5.154 -6.084 -9.290 1.00 45.54 H new ATOM 158 N ARG A 12 -4.464 -9.615 -6.356 1.00 34.42 N ATOM 159 CA ARG A 12 -5.581 -10.345 -5.756 1.00 35.01 C ATOM 160 C ARG A 12 -5.139 -11.211 -4.583 1.00 33.31 C ATOM 161 O ARG A 12 -5.948 -11.551 -3.718 1.00 51.44 O ATOM 162 CB ARG A 12 -6.203 -11.254 -6.818 1.00 13.52 C ATOM 163 CG ARG A 12 -7.710 -11.032 -6.964 1.00 61.34 C ATOM 164 CD ARG A 12 -8.237 -12.269 -7.691 1.00 43.23 C ATOM 165 NE ARG A 12 -9.551 -12.086 -8.323 1.00 23.41 N ATOM 166 CZ ARG A 12 -10.746 -12.080 -7.720 1.00 20.04 C ATOM 167 NH1 ARG A 12 -10.852 -12.171 -6.396 1.00 44.50 N ATOM 168 NH2 ARG A 12 -11.854 -11.985 -8.447 1.00 21.52 N ATOM 0 H ARG A 12 -4.156 -9.971 -7.261 1.00 34.42 H new ATOM 0 HA ARG A 12 -6.297 -9.611 -5.386 1.00 35.01 H new ATOM 0 HB2 ARG A 12 -5.717 -11.074 -7.777 1.00 13.52 H new ATOM 0 HB3 ARG A 12 -6.015 -12.295 -6.556 1.00 13.52 H new ATOM 0 HG2 ARG A 12 -8.186 -10.917 -5.990 1.00 61.34 H new ATOM 0 HG3 ARG A 12 -7.920 -10.125 -7.531 1.00 61.34 H new ATOM 0 HD2 ARG A 12 -7.517 -12.561 -8.455 1.00 43.23 H new ATOM 0 HD3 ARG A 12 -8.300 -13.094 -6.981 1.00 43.23 H new ATOM 0 HE ARG A 12 -9.553 -11.948 -9.334 1.00 23.41 H new ATOM 0 HH11 ARG A 12 -10.013 -12.247 -5.821 1.00 44.50 H new ATOM 0 HH12 ARG A 12 -11.772 -12.165 -5.956 1.00 44.50 H new ATOM 0 HH21 ARG A 12 -11.793 -11.917 -9.463 1.00 21.52 H new ATOM 0 HH22 ARG A 12 -12.765 -11.980 -7.989 1.00 21.52 H new ATOM 182 N GLU A 13 -3.880 -11.623 -4.612 1.00 14.53 N ATOM 183 CA GLU A 13 -3.222 -12.442 -3.618 1.00 43.35 C ATOM 184 C GLU A 13 -3.068 -11.614 -2.335 1.00 61.14 C ATOM 185 O GLU A 13 -3.462 -12.074 -1.261 1.00 10.04 O ATOM 186 CB GLU A 13 -1.876 -12.921 -4.208 1.00 73.14 C ATOM 187 CG GLU A 13 -1.766 -14.441 -4.308 1.00 21.03 C ATOM 188 CD GLU A 13 -1.695 -15.061 -2.920 1.00 61.30 C ATOM 189 OE1 GLU A 13 -0.685 -14.854 -2.212 1.00 3.13 O ATOM 190 OE2 GLU A 13 -2.697 -15.655 -2.475 1.00 70.12 O ATOM 0 H GLU A 13 -3.256 -11.376 -5.380 1.00 14.53 H new ATOM 0 HA GLU A 13 -3.798 -13.330 -3.358 1.00 43.35 H new ATOM 0 HB2 GLU A 13 -1.748 -12.489 -5.200 1.00 73.14 H new ATOM 0 HB3 GLU A 13 -1.062 -12.545 -3.589 1.00 73.14 H new ATOM 0 HG2 GLU A 13 -2.625 -14.839 -4.847 1.00 21.03 H new ATOM 0 HG3 GLU A 13 -0.878 -14.711 -4.879 1.00 21.03 H new ATOM 197 N MET A 14 -2.528 -10.394 -2.436 1.00 52.55 N ATOM 198 CA MET A 14 -2.365 -9.477 -1.309 1.00 42.20 C ATOM 199 C MET A 14 -3.728 -8.975 -0.806 1.00 63.33 C ATOM 200 O MET A 14 -3.930 -8.880 0.407 1.00 13.12 O ATOM 201 CB MET A 14 -1.388 -8.330 -1.666 1.00 31.21 C ATOM 202 CG MET A 14 -1.858 -7.384 -2.778 1.00 45.32 C ATOM 203 SD MET A 14 -0.607 -6.290 -3.525 1.00 44.42 S ATOM 204 CE MET A 14 -0.081 -5.259 -2.133 1.00 63.14 C ATOM 0 H MET A 14 -2.187 -10.013 -3.319 1.00 52.55 H new ATOM 0 HA MET A 14 -1.913 -10.019 -0.479 1.00 42.20 H new ATOM 0 HB2 MET A 14 -1.202 -7.742 -0.767 1.00 31.21 H new ATOM 0 HB3 MET A 14 -0.435 -8.767 -1.964 1.00 31.21 H new ATOM 0 HG2 MET A 14 -2.296 -7.988 -3.573 1.00 45.32 H new ATOM 0 HG3 MET A 14 -2.656 -6.760 -2.376 1.00 45.32 H new ATOM 0 HE1 MET A 14 0.717 -4.591 -2.456 1.00 63.14 H new ATOM 0 HE2 MET A 14 -0.926 -4.670 -1.777 1.00 63.14 H new ATOM 0 HE3 MET A 14 0.283 -5.895 -1.326 1.00 63.14 H new ATOM 214 N LEU A 15 -4.682 -8.702 -1.708 1.00 44.14 N ATOM 215 CA LEU A 15 -6.039 -8.261 -1.369 1.00 52.41 C ATOM 216 C LEU A 15 -6.756 -9.294 -0.491 1.00 2.30 C ATOM 217 O LEU A 15 -7.443 -8.927 0.465 1.00 53.01 O ATOM 218 CB LEU A 15 -6.835 -8.015 -2.667 1.00 74.25 C ATOM 219 CG LEU A 15 -8.204 -7.331 -2.469 1.00 4.21 C ATOM 220 CD1 LEU A 15 -8.051 -5.811 -2.420 1.00 14.41 C ATOM 221 CD2 LEU A 15 -9.144 -7.648 -3.633 1.00 33.12 C ATOM 0 H LEU A 15 -4.527 -8.784 -2.713 1.00 44.14 H new ATOM 0 HA LEU A 15 -5.973 -7.334 -0.800 1.00 52.41 H new ATOM 0 HB2 LEU A 15 -6.231 -7.401 -3.335 1.00 74.25 H new ATOM 0 HB3 LEU A 15 -6.992 -8.971 -3.167 1.00 74.25 H new ATOM 0 HG LEU A 15 -8.612 -7.707 -1.531 1.00 4.21 H new ATOM 0 HD11 LEU A 15 -9.029 -5.351 -2.280 1.00 14.41 H new ATOM 0 HD12 LEU A 15 -7.399 -5.537 -1.590 1.00 14.41 H new ATOM 0 HD13 LEU A 15 -7.615 -5.459 -3.355 1.00 14.41 H new ATOM 0 HD21 LEU A 15 -10.103 -7.155 -3.471 1.00 33.12 H new ATOM 0 HD22 LEU A 15 -8.704 -7.290 -4.564 1.00 33.12 H new ATOM 0 HD23 LEU A 15 -9.296 -8.726 -3.695 1.00 33.12 H new ATOM 233 N ALA A 16 -6.634 -10.579 -0.829 1.00 70.44 N ATOM 234 CA ALA A 16 -7.272 -11.661 -0.090 1.00 74.13 C ATOM 235 C ALA A 16 -6.673 -11.823 1.300 1.00 11.33 C ATOM 236 O ALA A 16 -7.427 -12.007 2.253 1.00 72.30 O ATOM 237 CB ALA A 16 -7.164 -12.945 -0.902 1.00 15.20 C ATOM 0 H ALA A 16 -6.086 -10.896 -1.628 1.00 70.44 H new ATOM 0 HA ALA A 16 -8.325 -11.419 0.058 1.00 74.13 H new ATOM 0 HB1 ALA A 16 -7.639 -13.761 -0.357 1.00 15.20 H new ATOM 0 HB2 ALA A 16 -7.662 -12.811 -1.862 1.00 15.20 H new ATOM 0 HB3 ALA A 16 -6.113 -13.183 -1.069 1.00 15.20 H new ATOM 243 N HIS A 17 -5.348 -11.701 1.435 1.00 10.44 N ATOM 244 CA HIS A 17 -4.690 -11.864 2.724 1.00 14.13 C ATOM 245 C HIS A 17 -5.280 -10.915 3.769 1.00 32.23 C ATOM 246 O HIS A 17 -5.626 -11.333 4.876 1.00 30.32 O ATOM 247 CB HIS A 17 -3.179 -11.647 2.597 1.00 44.42 C ATOM 248 CG HIS A 17 -2.506 -11.730 3.942 1.00 21.51 C ATOM 249 ND1 HIS A 17 -2.699 -12.742 4.854 1.00 74.44 N ATOM 250 CD2 HIS A 17 -1.699 -10.787 4.523 1.00 14.31 C ATOM 251 CE1 HIS A 17 -2.002 -12.443 5.953 1.00 14.02 C ATOM 252 NE2 HIS A 17 -1.367 -11.264 5.803 1.00 61.52 N ATOM 0 H HIS A 17 -4.715 -11.490 0.664 1.00 10.44 H new ATOM 0 HA HIS A 17 -4.864 -12.887 3.058 1.00 14.13 H new ATOM 0 HB2 HIS A 17 -2.756 -12.396 1.928 1.00 44.42 H new ATOM 0 HB3 HIS A 17 -2.984 -10.673 2.149 1.00 44.42 H new ATOM 0 HD2 HIS A 17 -1.379 -9.855 4.081 1.00 14.31 H new ATOM 0 HE1 HIS A 17 -1.954 -13.060 6.838 1.00 14.02 H new ATOM 0 HE2 HIS A 17 -0.763 -10.806 6.486 1.00 61.52 H new ATOM 260 N ALA A 18 -5.387 -9.629 3.436 1.00 44.42 N ATOM 261 CA ALA A 18 -5.878 -8.655 4.387 1.00 1.55 C ATOM 262 C ALA A 18 -7.386 -8.748 4.598 1.00 44.13 C ATOM 263 O ALA A 18 -7.831 -8.433 5.695 1.00 71.34 O ATOM 264 CB ALA A 18 -5.464 -7.269 3.957 1.00 3.13 C ATOM 0 H ALA A 18 -5.141 -9.248 2.522 1.00 44.42 H new ATOM 0 HA ALA A 18 -5.427 -8.877 5.354 1.00 1.55 H new ATOM 0 HB1 ALA A 18 -5.836 -6.539 4.676 1.00 3.13 H new ATOM 0 HB2 ALA A 18 -4.376 -7.212 3.911 1.00 3.13 H new ATOM 0 HB3 ALA A 18 -5.880 -7.054 2.973 1.00 3.13 H new ATOM 270 N GLU A 19 -8.171 -9.211 3.617 1.00 40.52 N ATOM 271 CA GLU A 19 -9.565 -9.539 3.879 1.00 62.45 C ATOM 272 C GLU A 19 -9.643 -10.646 4.936 1.00 41.22 C ATOM 273 O GLU A 19 -10.492 -10.588 5.827 1.00 3.11 O ATOM 274 CB GLU A 19 -10.306 -9.966 2.596 1.00 63.13 C ATOM 275 CG GLU A 19 -11.151 -8.835 1.984 1.00 5.44 C ATOM 276 CD GLU A 19 -12.350 -9.287 1.139 1.00 24.44 C ATOM 277 OE1 GLU A 19 -12.533 -10.495 0.866 1.00 44.12 O ATOM 278 OE2 GLU A 19 -13.165 -8.426 0.723 1.00 61.50 O ATOM 0 H GLU A 19 -7.867 -9.362 2.655 1.00 40.52 H new ATOM 0 HA GLU A 19 -10.059 -8.642 4.253 1.00 62.45 H new ATOM 0 HB2 GLU A 19 -9.578 -10.308 1.860 1.00 63.13 H new ATOM 0 HB3 GLU A 19 -10.953 -10.814 2.822 1.00 63.13 H new ATOM 0 HG2 GLU A 19 -11.517 -8.201 2.792 1.00 5.44 H new ATOM 0 HG3 GLU A 19 -10.503 -8.217 1.362 1.00 5.44 H new ATOM 285 N GLU A 20 -8.779 -11.660 4.865 1.00 3.23 N ATOM 286 CA GLU A 20 -8.768 -12.773 5.810 1.00 23.30 C ATOM 287 C GLU A 20 -8.299 -12.343 7.211 1.00 41.33 C ATOM 288 O GLU A 20 -8.525 -13.072 8.180 1.00 22.05 O ATOM 289 CB GLU A 20 -7.845 -13.880 5.271 1.00 5.15 C ATOM 290 CG GLU A 20 -8.246 -15.286 5.749 1.00 32.25 C ATOM 291 CD GLU A 20 -9.388 -15.924 4.944 1.00 21.31 C ATOM 292 OE1 GLU A 20 -9.923 -15.302 3.997 1.00 75.32 O ATOM 293 OE2 GLU A 20 -9.708 -17.104 5.214 1.00 24.30 O ATOM 0 H GLU A 20 -8.062 -11.730 4.143 1.00 3.23 H new ATOM 0 HA GLU A 20 -9.790 -13.140 5.909 1.00 23.30 H new ATOM 0 HB2 GLU A 20 -7.857 -13.856 4.181 1.00 5.15 H new ATOM 0 HB3 GLU A 20 -6.821 -13.675 5.583 1.00 5.15 H new ATOM 0 HG2 GLU A 20 -7.373 -15.937 5.698 1.00 32.25 H new ATOM 0 HG3 GLU A 20 -8.542 -15.230 6.797 1.00 32.25 H new ATOM 300 N THR A 21 -7.650 -11.183 7.332 1.00 50.04 N ATOM 301 CA THR A 21 -6.902 -10.721 8.497 1.00 14.30 C ATOM 302 C THR A 21 -7.307 -9.273 8.843 1.00 3.20 C ATOM 303 O THR A 21 -8.404 -8.831 8.501 1.00 61.01 O ATOM 304 CB THR A 21 -5.391 -10.974 8.311 1.00 35.31 C ATOM 305 OG1 THR A 21 -4.859 -10.225 7.249 1.00 33.50 O ATOM 306 CG2 THR A 21 -5.045 -12.449 8.065 1.00 10.42 C ATOM 0 H THR A 21 -7.633 -10.502 6.572 1.00 50.04 H new ATOM 0 HA THR A 21 -7.162 -11.304 9.381 1.00 14.30 H new ATOM 0 HB THR A 21 -4.946 -10.661 9.256 1.00 35.31 H new ATOM 0 HG1 THR A 21 -5.094 -10.651 6.398 1.00 33.50 H new ATOM 0 HG21 THR A 21 -3.967 -12.554 7.943 1.00 10.42 H new ATOM 0 HG22 THR A 21 -5.374 -13.047 8.915 1.00 10.42 H new ATOM 0 HG23 THR A 21 -5.548 -12.795 7.162 1.00 10.42 H new ATOM 314 N ARG A 22 -6.508 -8.563 9.651 1.00 44.23 N ATOM 315 CA ARG A 22 -6.733 -7.169 10.050 1.00 64.14 C ATOM 316 C ARG A 22 -5.473 -6.354 9.781 1.00 45.50 C ATOM 317 O ARG A 22 -4.820 -5.860 10.701 1.00 32.31 O ATOM 318 CB ARG A 22 -7.257 -7.009 11.488 1.00 22.14 C ATOM 319 CG ARG A 22 -6.556 -7.819 12.585 1.00 14.14 C ATOM 320 CD ARG A 22 -7.082 -9.252 12.562 1.00 0.44 C ATOM 321 NE ARG A 22 -6.795 -9.975 13.807 1.00 71.22 N ATOM 322 CZ ARG A 22 -7.280 -11.187 14.090 1.00 42.13 C ATOM 323 NH1 ARG A 22 -8.113 -11.778 13.246 1.00 50.25 N ATOM 324 NH2 ARG A 22 -6.942 -11.788 15.226 1.00 54.43 N ATOM 0 H ARG A 22 -5.660 -8.957 10.058 1.00 44.23 H new ATOM 0 HA ARG A 22 -7.542 -6.775 9.435 1.00 64.14 H new ATOM 0 HB2 ARG A 22 -7.194 -5.954 11.755 1.00 22.14 H new ATOM 0 HB3 ARG A 22 -8.314 -7.277 11.494 1.00 22.14 H new ATOM 0 HG2 ARG A 22 -5.478 -7.812 12.427 1.00 14.14 H new ATOM 0 HG3 ARG A 22 -6.738 -7.367 13.560 1.00 14.14 H new ATOM 0 HD2 ARG A 22 -8.159 -9.238 12.394 1.00 0.44 H new ATOM 0 HD3 ARG A 22 -6.635 -9.786 11.724 1.00 0.44 H new ATOM 0 HE ARG A 22 -6.191 -9.526 14.495 1.00 71.22 H new ATOM 0 HH11 ARG A 22 -8.383 -11.307 12.382 1.00 50.25 H new ATOM 0 HH12 ARG A 22 -8.485 -12.703 13.460 1.00 50.25 H new ATOM 0 HH21 ARG A 22 -6.313 -11.324 15.881 1.00 54.43 H new ATOM 0 HH22 ARG A 22 -7.312 -12.713 15.443 1.00 54.43 H new ATOM 338 N LYS A 23 -5.065 -6.300 8.515 1.00 45.21 N ATOM 339 CA LYS A 23 -3.907 -5.532 8.054 1.00 65.51 C ATOM 340 C LYS A 23 -4.468 -4.424 7.170 1.00 72.31 C ATOM 341 O LYS A 23 -5.115 -4.732 6.169 1.00 40.10 O ATOM 342 CB LYS A 23 -2.912 -6.422 7.288 1.00 12.41 C ATOM 343 CG LYS A 23 -1.933 -7.208 8.181 1.00 62.45 C ATOM 344 CD LYS A 23 -2.619 -8.043 9.270 1.00 52.55 C ATOM 345 CE LYS A 23 -1.682 -9.081 9.869 1.00 74.31 C ATOM 346 NZ LYS A 23 -0.981 -8.654 11.092 1.00 40.41 N ATOM 0 H LYS A 23 -5.540 -6.800 7.763 1.00 45.21 H new ATOM 0 HA LYS A 23 -3.344 -5.119 8.891 1.00 65.51 H new ATOM 0 HB2 LYS A 23 -3.473 -7.129 6.677 1.00 12.41 H new ATOM 0 HB3 LYS A 23 -2.337 -5.797 6.605 1.00 12.41 H new ATOM 0 HG2 LYS A 23 -1.334 -7.868 7.554 1.00 62.45 H new ATOM 0 HG3 LYS A 23 -1.245 -6.507 8.654 1.00 62.45 H new ATOM 0 HD2 LYS A 23 -2.980 -7.383 10.059 1.00 52.55 H new ATOM 0 HD3 LYS A 23 -3.491 -8.543 8.848 1.00 52.55 H new ATOM 0 HE2 LYS A 23 -2.256 -9.981 10.092 1.00 74.31 H new ATOM 0 HE3 LYS A 23 -0.940 -9.354 9.119 1.00 74.31 H new ATOM 0 HZ1 LYS A 23 -0.840 -9.474 11.716 1.00 40.41 H new ATOM 0 HZ2 LYS A 23 -0.057 -8.249 10.839 1.00 40.41 H new ATOM 0 HZ3 LYS A 23 -1.550 -7.937 11.586 1.00 40.41 H new ATOM 360 N LEU A 24 -4.306 -3.155 7.550 1.00 24.34 N ATOM 361 CA LEU A 24 -4.806 -2.028 6.755 1.00 50.42 C ATOM 362 C LEU A 24 -4.083 -2.015 5.403 1.00 35.51 C ATOM 363 O LEU A 24 -2.854 -2.067 5.359 1.00 42.32 O ATOM 364 CB LEU A 24 -4.674 -0.709 7.552 1.00 2.33 C ATOM 365 CG LEU A 24 -4.289 0.567 6.786 1.00 63.22 C ATOM 366 CD1 LEU A 24 -5.290 1.017 5.748 1.00 32.11 C ATOM 367 CD2 LEU A 24 -4.156 1.729 7.764 1.00 34.24 C ATOM 0 H LEU A 24 -3.829 -2.880 8.409 1.00 24.34 H new ATOM 0 HA LEU A 24 -5.870 -2.138 6.547 1.00 50.42 H new ATOM 0 HB2 LEU A 24 -5.626 -0.524 8.050 1.00 2.33 H new ATOM 0 HB3 LEU A 24 -3.931 -0.865 8.334 1.00 2.33 H new ATOM 0 HG LEU A 24 -3.360 0.308 6.277 1.00 63.22 H new ATOM 0 HD11 LEU A 24 -4.929 1.924 5.263 1.00 32.11 H new ATOM 0 HD12 LEU A 24 -5.418 0.233 5.002 1.00 32.11 H new ATOM 0 HD13 LEU A 24 -6.247 1.220 6.229 1.00 32.11 H new ATOM 0 HD21 LEU A 24 -3.883 2.633 7.220 1.00 34.24 H new ATOM 0 HD22 LEU A 24 -5.106 1.886 8.274 1.00 34.24 H new ATOM 0 HD23 LEU A 24 -3.383 1.500 8.498 1.00 34.24 H new ATOM 379 N MET A 25 -4.857 -1.926 4.319 1.00 12.43 N ATOM 380 CA MET A 25 -4.396 -1.899 2.942 1.00 55.54 C ATOM 381 C MET A 25 -4.502 -0.470 2.372 1.00 23.15 C ATOM 382 O MET A 25 -5.534 -0.118 1.808 1.00 42.42 O ATOM 383 CB MET A 25 -5.210 -2.932 2.149 1.00 64.42 C ATOM 384 CG MET A 25 -4.662 -3.146 0.739 1.00 14.41 C ATOM 385 SD MET A 25 -5.364 -4.605 -0.076 1.00 45.21 S ATOM 386 CE MET A 25 -4.565 -4.466 -1.692 1.00 13.10 C ATOM 0 H MET A 25 -5.873 -1.868 4.389 1.00 12.43 H new ATOM 0 HA MET A 25 -3.343 -2.170 2.871 1.00 55.54 H new ATOM 0 HB2 MET A 25 -5.208 -3.881 2.685 1.00 64.42 H new ATOM 0 HB3 MET A 25 -6.247 -2.603 2.087 1.00 64.42 H new ATOM 0 HG2 MET A 25 -4.871 -2.263 0.135 1.00 14.41 H new ATOM 0 HG3 MET A 25 -3.578 -3.249 0.788 1.00 14.41 H new ATOM 0 HE1 MET A 25 -4.886 -5.291 -2.329 1.00 13.10 H new ATOM 0 HE2 MET A 25 -4.844 -3.520 -2.156 1.00 13.10 H new ATOM 0 HE3 MET A 25 -3.483 -4.504 -1.567 1.00 13.10 H new ATOM 396 N PRO A 26 -3.509 0.413 2.553 1.00 13.54 N ATOM 397 CA PRO A 26 -3.507 1.731 1.914 1.00 70.32 C ATOM 398 C PRO A 26 -3.276 1.606 0.390 1.00 14.35 C ATOM 399 O PRO A 26 -2.594 0.669 -0.036 1.00 3.15 O ATOM 400 CB PRO A 26 -2.376 2.483 2.606 1.00 52.05 C ATOM 401 CG PRO A 26 -1.408 1.394 3.045 1.00 71.31 C ATOM 402 CD PRO A 26 -2.295 0.192 3.313 1.00 25.11 C ATOM 0 HA PRO A 26 -4.459 2.252 2.016 1.00 70.32 H new ATOM 0 HB2 PRO A 26 -1.897 3.191 1.929 1.00 52.05 H new ATOM 0 HB3 PRO A 26 -2.743 3.055 3.458 1.00 52.05 H new ATOM 0 HG2 PRO A 26 -0.671 1.180 2.271 1.00 71.31 H new ATOM 0 HG3 PRO A 26 -0.856 1.688 3.938 1.00 71.31 H new ATOM 0 HD2 PRO A 26 -1.804 -0.731 3.005 1.00 25.11 H new ATOM 0 HD3 PRO A 26 -2.513 0.097 4.377 1.00 25.11 H new ATOM 410 N ILE A 27 -3.785 2.553 -0.418 1.00 23.43 N ATOM 411 CA ILE A 27 -3.636 2.637 -1.888 1.00 44.01 C ATOM 412 C ILE A 27 -3.480 4.125 -2.271 1.00 3.22 C ATOM 413 O ILE A 27 -3.852 5.000 -1.494 1.00 63.24 O ATOM 414 CB ILE A 27 -4.863 1.990 -2.590 1.00 45.33 C ATOM 415 CG1 ILE A 27 -4.958 0.466 -2.350 1.00 42.35 C ATOM 416 CG2 ILE A 27 -4.937 2.220 -4.112 1.00 62.44 C ATOM 417 CD1 ILE A 27 -6.124 0.136 -1.422 1.00 64.21 C ATOM 0 H ILE A 27 -4.342 3.323 -0.047 1.00 23.43 H new ATOM 0 HA ILE A 27 -2.753 2.088 -2.217 1.00 44.01 H new ATOM 0 HB ILE A 27 -5.700 2.508 -2.121 1.00 45.33 H new ATOM 0 HG12 ILE A 27 -5.087 -0.049 -3.302 1.00 42.35 H new ATOM 0 HG13 ILE A 27 -4.027 0.103 -1.915 1.00 42.35 H new ATOM 0 HG21 ILE A 27 -5.826 1.731 -4.511 1.00 62.44 H new ATOM 0 HG22 ILE A 27 -4.988 3.289 -4.316 1.00 62.44 H new ATOM 0 HG23 ILE A 27 -4.049 1.802 -4.587 1.00 62.44 H new ATOM 0 HD11 ILE A 27 -6.172 -0.942 -1.267 1.00 64.21 H new ATOM 0 HD12 ILE A 27 -5.978 0.634 -0.464 1.00 64.21 H new ATOM 0 HD13 ILE A 27 -7.056 0.480 -1.872 1.00 64.21 H new ATOM 429 N CYS A 28 -2.930 4.450 -3.444 1.00 3.42 N ATOM 430 CA CYS A 28 -2.832 5.813 -3.960 1.00 3.14 C ATOM 431 C CYS A 28 -4.048 6.105 -4.850 1.00 12.21 C ATOM 432 O CYS A 28 -4.419 5.271 -5.673 1.00 1.01 O ATOM 433 CB CYS A 28 -1.528 5.918 -4.762 1.00 64.41 C ATOM 434 SG CYS A 28 -0.118 5.491 -3.703 1.00 23.11 S ATOM 0 H CYS A 28 -2.532 3.754 -4.074 1.00 3.42 H new ATOM 0 HA CYS A 28 -2.822 6.542 -3.150 1.00 3.14 H new ATOM 0 HB2 CYS A 28 -1.564 5.249 -5.622 1.00 64.41 H new ATOM 0 HB3 CYS A 28 -1.410 6.930 -5.150 1.00 64.41 H new ATOM 0 HG CYS A 28 0.506 4.466 -4.204 1.00 23.11 H new ATOM 440 N MET A 29 -4.660 7.286 -4.750 1.00 74.10 N ATOM 441 CA MET A 29 -5.741 7.703 -5.644 1.00 43.02 C ATOM 442 C MET A 29 -5.232 8.025 -7.062 1.00 60.12 C ATOM 443 O MET A 29 -6.037 8.186 -7.986 1.00 62.50 O ATOM 444 CB MET A 29 -6.464 8.899 -5.010 1.00 61.21 C ATOM 445 CG MET A 29 -7.911 9.014 -5.485 1.00 51.21 C ATOM 446 SD MET A 29 -8.874 10.321 -4.671 1.00 72.11 S ATOM 447 CE MET A 29 -8.843 9.764 -2.942 1.00 74.03 C ATOM 0 H MET A 29 -4.419 7.982 -4.045 1.00 74.10 H new ATOM 0 HA MET A 29 -6.443 6.878 -5.766 1.00 43.02 H new ATOM 0 HB2 MET A 29 -6.446 8.799 -3.925 1.00 61.21 H new ATOM 0 HB3 MET A 29 -5.929 9.817 -5.254 1.00 61.21 H new ATOM 0 HG2 MET A 29 -7.913 9.195 -6.560 1.00 51.21 H new ATOM 0 HG3 MET A 29 -8.410 8.059 -5.322 1.00 51.21 H new ATOM 0 HE1 MET A 29 -9.588 10.316 -2.369 1.00 74.03 H new ATOM 0 HE2 MET A 29 -9.068 8.698 -2.899 1.00 74.03 H new ATOM 0 HE3 MET A 29 -7.854 9.943 -2.520 1.00 74.03 H new ATOM 457 N ASP A 30 -3.912 8.136 -7.241 1.00 34.41 N ATOM 458 CA ASP A 30 -3.272 8.413 -8.526 1.00 54.31 C ATOM 459 C ASP A 30 -3.217 7.190 -9.429 1.00 11.33 C ATOM 460 O ASP A 30 -3.343 7.343 -10.648 1.00 15.43 O ATOM 461 CB ASP A 30 -1.874 9.012 -8.314 1.00 65.31 C ATOM 462 CG ASP A 30 -0.971 8.853 -9.542 1.00 4.50 C ATOM 463 OD1 ASP A 30 -1.106 9.676 -10.476 1.00 4.34 O ATOM 464 OD2 ASP A 30 -0.121 7.937 -9.596 1.00 75.31 O ATOM 0 H ASP A 30 -3.245 8.033 -6.476 1.00 34.41 H new ATOM 0 HA ASP A 30 -3.891 9.147 -9.041 1.00 54.31 H new ATOM 0 HB2 ASP A 30 -1.969 10.071 -8.073 1.00 65.31 H new ATOM 0 HB3 ASP A 30 -1.403 8.531 -7.457 1.00 65.31 H new ATOM 469 N VAL A 31 -3.067 5.981 -8.890 1.00 24.42 N ATOM 470 CA VAL A 31 -3.048 4.810 -9.744 1.00 42.02 C ATOM 471 C VAL A 31 -4.471 4.556 -10.242 1.00 41.43 C ATOM 472 O VAL A 31 -5.445 4.791 -9.525 1.00 15.51 O ATOM 473 CB VAL A 31 -2.396 3.594 -9.045 1.00 3.20 C ATOM 474 CG1 VAL A 31 -2.967 3.276 -7.663 1.00 32.40 C ATOM 475 CG2 VAL A 31 -2.360 2.387 -9.976 1.00 1.34 C ATOM 0 H VAL A 31 -2.960 5.795 -7.893 1.00 24.42 H new ATOM 0 HA VAL A 31 -2.414 4.985 -10.613 1.00 42.02 H new ATOM 0 HB VAL A 31 -1.365 3.879 -8.833 1.00 3.20 H new ATOM 0 HG11 VAL A 31 -2.452 2.410 -7.247 1.00 32.40 H new ATOM 0 HG12 VAL A 31 -2.825 4.133 -7.005 1.00 32.40 H new ATOM 0 HG13 VAL A 31 -4.031 3.058 -7.750 1.00 32.40 H new ATOM 0 HG21 VAL A 31 -1.897 1.545 -9.462 1.00 1.34 H new ATOM 0 HG22 VAL A 31 -3.376 2.121 -10.266 1.00 1.34 H new ATOM 0 HG23 VAL A 31 -1.781 2.631 -10.866 1.00 1.34 H new ATOM 485 N ARG A 32 -4.595 4.066 -11.474 1.00 11.42 N ATOM 486 CA ARG A 32 -5.812 3.521 -12.030 1.00 70.03 C ATOM 487 C ARG A 32 -5.703 2.001 -12.088 1.00 54.50 C ATOM 488 O ARG A 32 -6.649 1.337 -11.703 1.00 30.12 O ATOM 489 CB ARG A 32 -6.022 4.109 -13.426 1.00 64.34 C ATOM 490 CG ARG A 32 -6.719 5.476 -13.434 1.00 34.34 C ATOM 491 CD ARG A 32 -5.791 6.606 -12.970 1.00 33.12 C ATOM 492 NE ARG A 32 -6.317 7.925 -13.340 1.00 44.33 N ATOM 493 CZ ARG A 32 -5.841 9.111 -12.951 1.00 2.55 C ATOM 494 NH1 ARG A 32 -4.843 9.196 -12.082 1.00 13.02 N ATOM 495 NH2 ARG A 32 -6.368 10.226 -13.423 1.00 55.41 N ATOM 0 H ARG A 32 -3.815 4.041 -12.130 1.00 11.42 H new ATOM 0 HA ARG A 32 -6.668 3.780 -11.406 1.00 70.03 H new ATOM 0 HB2 ARG A 32 -5.054 4.204 -13.917 1.00 64.34 H new ATOM 0 HB3 ARG A 32 -6.612 3.409 -14.018 1.00 64.34 H new ATOM 0 HG2 ARG A 32 -7.077 5.693 -14.441 1.00 34.34 H new ATOM 0 HG3 ARG A 32 -7.594 5.439 -12.786 1.00 34.34 H new ATOM 0 HD2 ARG A 32 -5.666 6.554 -11.888 1.00 33.12 H new ATOM 0 HD3 ARG A 32 -4.804 6.471 -13.411 1.00 33.12 H new ATOM 0 HE ARG A 32 -7.129 7.938 -13.957 1.00 44.33 H new ATOM 0 HH11 ARG A 32 -4.426 8.347 -11.699 1.00 13.02 H new ATOM 0 HH12 ARG A 32 -4.492 10.110 -11.796 1.00 13.02 H new ATOM 0 HH21 ARG A 32 -7.141 10.184 -14.087 1.00 55.41 H new ATOM 0 HH22 ARG A 32 -6.002 11.130 -13.124 1.00 55.41 H new ATOM 509 N ALA A 33 -4.565 1.426 -12.487 1.00 31.43 N ATOM 510 CA ALA A 33 -4.456 -0.024 -12.682 1.00 5.14 C ATOM 511 C ALA A 33 -4.759 -0.847 -11.418 1.00 62.51 C ATOM 512 O ALA A 33 -5.336 -1.933 -11.497 1.00 43.25 O ATOM 513 CB ALA A 33 -3.059 -0.344 -13.211 1.00 73.24 C ATOM 0 H ALA A 33 -3.706 1.941 -12.681 1.00 31.43 H new ATOM 0 HA ALA A 33 -5.220 -0.314 -13.404 1.00 5.14 H new ATOM 0 HB1 ALA A 33 -2.964 -1.420 -13.361 1.00 73.24 H new ATOM 0 HB2 ALA A 33 -2.903 0.169 -14.160 1.00 73.24 H new ATOM 0 HB3 ALA A 33 -2.312 -0.011 -12.491 1.00 73.24 H new ATOM 519 N ILE A 34 -4.344 -0.354 -10.254 1.00 44.50 N ATOM 520 CA ILE A 34 -4.662 -0.883 -8.930 1.00 54.42 C ATOM 521 C ILE A 34 -6.100 -0.484 -8.578 1.00 4.51 C ATOM 522 O ILE A 34 -6.931 -1.353 -8.305 1.00 42.44 O ATOM 523 CB ILE A 34 -3.584 -0.330 -7.968 1.00 63.13 C ATOM 524 CG1 ILE A 34 -2.160 -0.864 -8.268 1.00 20.00 C ATOM 525 CG2 ILE A 34 -3.883 -0.443 -6.476 1.00 21.05 C ATOM 526 CD1 ILE A 34 -1.924 -2.337 -7.927 1.00 35.42 C ATOM 0 H ILE A 34 -3.744 0.470 -10.206 1.00 44.50 H new ATOM 0 HA ILE A 34 -4.636 -1.971 -8.869 1.00 54.42 H new ATOM 0 HB ILE A 34 -3.620 0.736 -8.191 1.00 63.13 H new ATOM 0 HG12 ILE A 34 -1.951 -0.716 -9.328 1.00 20.00 H new ATOM 0 HG13 ILE A 34 -1.440 -0.261 -7.714 1.00 20.00 H new ATOM 0 HG21 ILE A 34 -3.055 -0.022 -5.906 1.00 21.05 H new ATOM 0 HG22 ILE A 34 -4.797 0.104 -6.246 1.00 21.05 H new ATOM 0 HG23 ILE A 34 -4.011 -1.492 -6.209 1.00 21.05 H new ATOM 0 HD11 ILE A 34 -0.898 -2.608 -8.175 1.00 35.42 H new ATOM 0 HD12 ILE A 34 -2.094 -2.496 -6.862 1.00 35.42 H new ATOM 0 HD13 ILE A 34 -2.612 -2.958 -8.500 1.00 35.42 H new ATOM 538 N MET A 35 -6.410 0.819 -8.622 1.00 74.51 N ATOM 539 CA MET A 35 -7.734 1.355 -8.286 1.00 21.41 C ATOM 540 C MET A 35 -8.889 0.631 -9.016 1.00 22.50 C ATOM 541 O MET A 35 -9.950 0.400 -8.428 1.00 43.34 O ATOM 542 CB MET A 35 -7.715 2.871 -8.533 1.00 51.20 C ATOM 543 CG MET A 35 -9.042 3.558 -8.192 1.00 25.42 C ATOM 544 SD MET A 35 -8.989 5.106 -7.238 1.00 14.33 S ATOM 545 CE MET A 35 -8.012 4.642 -5.784 1.00 41.00 C ATOM 0 H MET A 35 -5.740 1.538 -8.895 1.00 74.51 H new ATOM 0 HA MET A 35 -7.939 1.167 -7.232 1.00 21.41 H new ATOM 0 HB2 MET A 35 -6.919 3.319 -7.938 1.00 51.20 H new ATOM 0 HB3 MET A 35 -7.475 3.059 -9.580 1.00 51.20 H new ATOM 0 HG2 MET A 35 -9.562 3.762 -9.128 1.00 25.42 H new ATOM 0 HG3 MET A 35 -9.653 2.846 -7.637 1.00 25.42 H new ATOM 0 HE1 MET A 35 -8.225 5.332 -4.967 1.00 41.00 H new ATOM 0 HE2 MET A 35 -8.272 3.628 -5.480 1.00 41.00 H new ATOM 0 HE3 MET A 35 -6.951 4.687 -6.029 1.00 41.00 H new ATOM 555 N ALA A 36 -8.687 0.203 -10.262 1.00 25.14 N ATOM 556 CA ALA A 36 -9.674 -0.479 -11.082 1.00 54.21 C ATOM 557 C ALA A 36 -10.074 -1.841 -10.511 1.00 33.23 C ATOM 558 O ALA A 36 -11.206 -2.270 -10.739 1.00 63.21 O ATOM 559 CB ALA A 36 -9.126 -0.647 -12.501 1.00 64.33 C ATOM 0 H ALA A 36 -7.796 0.329 -10.741 1.00 25.14 H new ATOM 0 HA ALA A 36 -10.574 0.136 -11.094 1.00 54.21 H new ATOM 0 HB1 ALA A 36 -9.865 -1.158 -13.118 1.00 64.33 H new ATOM 0 HB2 ALA A 36 -8.913 0.333 -12.927 1.00 64.33 H new ATOM 0 HB3 ALA A 36 -8.209 -1.236 -12.470 1.00 64.33 H new ATOM 565 N THR A 37 -9.201 -2.538 -9.773 1.00 2.42 N ATOM 566 CA THR A 37 -9.588 -3.760 -9.073 1.00 11.43 C ATOM 567 C THR A 37 -10.527 -3.439 -7.931 1.00 31.30 C ATOM 568 O THR A 37 -11.522 -4.158 -7.775 1.00 33.12 O ATOM 569 CB THR A 37 -8.353 -4.532 -8.577 1.00 32.13 C ATOM 570 OG1 THR A 37 -7.779 -5.157 -9.707 1.00 1.02 O ATOM 571 CG2 THR A 37 -8.634 -5.558 -7.453 1.00 44.20 C ATOM 0 H THR A 37 -8.224 -2.273 -9.648 1.00 2.42 H new ATOM 0 HA THR A 37 -10.114 -4.404 -9.777 1.00 11.43 H new ATOM 0 HB THR A 37 -7.672 -3.821 -8.111 1.00 32.13 H new ATOM 0 HG1 THR A 37 -7.335 -5.986 -9.432 1.00 1.02 H new ATOM 0 HG21 THR A 37 -7.704 -6.051 -7.170 1.00 44.20 H new ATOM 0 HG22 THR A 37 -9.050 -5.044 -6.587 1.00 44.20 H new ATOM 0 HG23 THR A 37 -9.346 -6.302 -7.810 1.00 44.20 H new ATOM 579 N ILE A 38 -10.226 -2.396 -7.153 1.00 52.13 N ATOM 580 CA ILE A 38 -11.118 -1.976 -6.082 1.00 74.24 C ATOM 581 C ILE A 38 -12.483 -1.696 -6.701 1.00 71.30 C ATOM 582 O ILE A 38 -13.418 -2.417 -6.379 1.00 23.13 O ATOM 583 CB ILE A 38 -10.535 -0.799 -5.277 1.00 13.31 C ATOM 584 CG1 ILE A 38 -9.261 -1.255 -4.531 1.00 23.11 C ATOM 585 CG2 ILE A 38 -11.543 -0.234 -4.261 1.00 55.03 C ATOM 586 CD1 ILE A 38 -8.060 -0.386 -4.897 1.00 12.25 C ATOM 0 H ILE A 38 -9.379 -1.835 -7.247 1.00 52.13 H new ATOM 0 HA ILE A 38 -11.233 -2.766 -5.340 1.00 74.24 H new ATOM 0 HB ILE A 38 -10.296 -0.007 -5.987 1.00 13.31 H new ATOM 0 HG12 ILE A 38 -9.431 -1.209 -3.455 1.00 23.11 H new ATOM 0 HG13 ILE A 38 -9.047 -2.295 -4.775 1.00 23.11 H new ATOM 0 HG21 ILE A 38 -11.087 0.594 -3.718 1.00 55.03 H new ATOM 0 HG22 ILE A 38 -12.429 0.122 -4.787 1.00 55.03 H new ATOM 0 HG23 ILE A 38 -11.828 -1.016 -3.558 1.00 55.03 H new ATOM 0 HD11 ILE A 38 -7.181 -0.734 -4.355 1.00 12.25 H new ATOM 0 HD12 ILE A 38 -7.875 -0.453 -5.969 1.00 12.25 H new ATOM 0 HD13 ILE A 38 -8.265 0.650 -4.629 1.00 12.25 H new ATOM 598 N GLN A 39 -12.592 -0.755 -7.641 1.00 24.32 N ATOM 599 CA GLN A 39 -13.887 -0.308 -8.167 1.00 45.03 C ATOM 600 C GLN A 39 -14.593 -1.353 -9.048 1.00 11.24 C ATOM 601 O GLN A 39 -15.728 -1.137 -9.471 1.00 55.11 O ATOM 602 CB GLN A 39 -13.722 1.028 -8.909 1.00 33.31 C ATOM 603 CG GLN A 39 -13.227 2.105 -7.935 1.00 60.43 C ATOM 604 CD GLN A 39 -13.420 3.524 -8.471 1.00 75.12 C ATOM 605 OE1 GLN A 39 -12.355 4.198 -8.860 1.00 64.15 O flip ATOM 606 NE2 GLN A 39 -14.534 4.045 -8.511 1.00 40.40 N flip ATOM 0 H GLN A 39 -11.790 -0.282 -8.058 1.00 24.32 H new ATOM 0 HA GLN A 39 -14.542 -0.166 -7.307 1.00 45.03 H new ATOM 0 HB2 GLN A 39 -13.014 0.914 -9.730 1.00 33.31 H new ATOM 0 HB3 GLN A 39 -14.673 1.331 -9.348 1.00 33.31 H new ATOM 0 HG2 GLN A 39 -13.758 2.004 -6.989 1.00 60.43 H new ATOM 0 HG3 GLN A 39 -12.170 1.941 -7.726 1.00 60.43 H new ATOM 0 HE21 GLN A 39 -15.354 3.519 -8.209 1.00 40.40 H new ATOM 0 HE22 GLN A 39 -14.637 5.003 -8.846 1.00 40.40 H new ATOM 615 N ARG A 40 -13.963 -2.493 -9.347 1.00 41.23 N ATOM 616 CA ARG A 40 -14.564 -3.661 -9.936 1.00 53.54 C ATOM 617 C ARG A 40 -15.214 -4.539 -8.861 1.00 54.10 C ATOM 618 O ARG A 40 -16.342 -5.006 -9.025 1.00 45.23 O ATOM 619 CB ARG A 40 -13.407 -4.362 -10.661 1.00 44.01 C ATOM 620 CG ARG A 40 -13.834 -5.725 -11.134 1.00 44.31 C ATOM 621 CD ARG A 40 -13.034 -6.188 -12.359 1.00 61.24 C ATOM 622 NE ARG A 40 -13.509 -7.471 -12.894 1.00 23.42 N ATOM 623 CZ ARG A 40 -14.591 -7.689 -13.653 1.00 1.40 C ATOM 624 NH1 ARG A 40 -15.387 -6.698 -14.044 1.00 33.32 N ATOM 625 NH2 ARG A 40 -14.872 -8.927 -14.026 1.00 31.42 N ATOM 0 H ARG A 40 -12.966 -2.617 -9.169 1.00 41.23 H new ATOM 0 HA ARG A 40 -15.373 -3.425 -10.627 1.00 53.54 H new ATOM 0 HB2 ARG A 40 -13.084 -3.760 -11.510 1.00 44.01 H new ATOM 0 HB3 ARG A 40 -12.552 -4.454 -9.991 1.00 44.01 H new ATOM 0 HG2 ARG A 40 -13.707 -6.445 -10.326 1.00 44.31 H new ATOM 0 HG3 ARG A 40 -14.896 -5.706 -11.381 1.00 44.31 H new ATOM 0 HD2 ARG A 40 -13.098 -5.428 -13.138 1.00 61.24 H new ATOM 0 HD3 ARG A 40 -11.982 -6.279 -12.088 1.00 61.24 H new ATOM 0 HE ARG A 40 -12.950 -8.291 -12.660 1.00 23.42 H new ATOM 0 HH11 ARG A 40 -15.181 -5.738 -13.766 1.00 33.32 H new ATOM 0 HH12 ARG A 40 -16.204 -6.897 -14.622 1.00 33.32 H new ATOM 0 HH21 ARG A 40 -14.269 -9.697 -13.735 1.00 31.42 H new ATOM 0 HH22 ARG A 40 -15.692 -9.112 -14.604 1.00 31.42 H new ATOM 639 N LYS A 41 -14.474 -4.821 -7.790 1.00 33.12 N ATOM 640 CA LYS A 41 -14.890 -5.659 -6.672 1.00 40.10 C ATOM 641 C LYS A 41 -15.858 -4.867 -5.805 1.00 3.22 C ATOM 642 O LYS A 41 -17.054 -5.148 -5.777 1.00 42.11 O ATOM 643 CB LYS A 41 -13.619 -6.128 -5.936 1.00 70.01 C ATOM 644 CG LYS A 41 -13.737 -6.635 -4.508 1.00 22.32 C ATOM 645 CD LYS A 41 -14.764 -7.717 -4.195 1.00 74.13 C ATOM 646 CE LYS A 41 -14.233 -8.556 -3.041 1.00 23.22 C ATOM 647 NZ LYS A 41 -15.086 -9.724 -2.748 1.00 23.05 N ATOM 0 H LYS A 41 -13.529 -4.455 -7.675 1.00 33.12 H new ATOM 0 HA LYS A 41 -15.426 -6.554 -6.989 1.00 40.10 H new ATOM 0 HB2 LYS A 41 -13.169 -6.923 -6.531 1.00 70.01 H new ATOM 0 HB3 LYS A 41 -12.915 -5.296 -5.932 1.00 70.01 H new ATOM 0 HG2 LYS A 41 -12.759 -7.012 -4.210 1.00 22.32 H new ATOM 0 HG3 LYS A 41 -13.956 -5.778 -3.871 1.00 22.32 H new ATOM 0 HD2 LYS A 41 -15.721 -7.268 -3.930 1.00 74.13 H new ATOM 0 HD3 LYS A 41 -14.937 -8.342 -5.071 1.00 74.13 H new ATOM 0 HE2 LYS A 41 -13.225 -8.897 -3.279 1.00 23.22 H new ATOM 0 HE3 LYS A 41 -14.157 -7.934 -2.149 1.00 23.22 H new ATOM 0 HZ1 LYS A 41 -14.680 -10.260 -1.955 1.00 23.05 H new ATOM 0 HZ2 LYS A 41 -16.041 -9.401 -2.494 1.00 23.05 H new ATOM 0 HZ3 LYS A 41 -15.139 -10.335 -3.588 1.00 23.05 H new ATOM 661 N TYR A 42 -15.318 -3.896 -5.081 1.00 15.32 N ATOM 662 CA TYR A 42 -16.025 -3.077 -4.133 1.00 2.13 C ATOM 663 C TYR A 42 -16.665 -1.957 -4.932 1.00 21.14 C ATOM 664 O TYR A 42 -15.968 -1.083 -5.442 1.00 14.42 O ATOM 665 CB TYR A 42 -15.060 -2.554 -3.064 1.00 54.11 C ATOM 666 CG TYR A 42 -14.224 -3.641 -2.417 1.00 2.22 C ATOM 667 CD1 TYR A 42 -14.829 -4.618 -1.599 1.00 52.13 C ATOM 668 CD2 TYR A 42 -12.875 -3.781 -2.795 1.00 72.24 C ATOM 669 CE1 TYR A 42 -14.081 -5.726 -1.164 1.00 23.33 C ATOM 670 CE2 TYR A 42 -12.126 -4.880 -2.351 1.00 62.13 C ATOM 671 CZ TYR A 42 -12.713 -5.841 -1.498 1.00 2.41 C ATOM 672 OH TYR A 42 -11.999 -6.938 -1.138 1.00 33.34 O ATOM 0 H TYR A 42 -14.329 -3.655 -5.149 1.00 15.32 H new ATOM 0 HA TYR A 42 -16.792 -3.637 -3.598 1.00 2.13 H new ATOM 0 HB2 TYR A 42 -14.396 -1.817 -3.515 1.00 54.11 H new ATOM 0 HB3 TYR A 42 -15.631 -2.038 -2.292 1.00 54.11 H new ATOM 0 HD1 TYR A 42 -15.864 -4.515 -1.308 1.00 52.13 H new ATOM 0 HD2 TYR A 42 -12.415 -3.038 -3.430 1.00 72.24 H new ATOM 0 HE1 TYR A 42 -14.555 -6.494 -0.571 1.00 23.33 H new ATOM 0 HE2 TYR A 42 -11.098 -4.992 -2.662 1.00 62.13 H new ATOM 0 HH TYR A 42 -12.593 -7.589 -0.710 1.00 33.34 H new ATOM 682 N LYS A 43 -17.984 -1.994 -5.094 1.00 54.51 N ATOM 683 CA LYS A 43 -18.705 -0.927 -5.789 1.00 43.04 C ATOM 684 C LYS A 43 -19.099 0.157 -4.800 1.00 25.13 C ATOM 685 O LYS A 43 -18.839 1.327 -5.047 1.00 45.14 O ATOM 686 CB LYS A 43 -19.925 -1.506 -6.517 1.00 73.23 C ATOM 687 CG LYS A 43 -19.527 -2.408 -7.699 1.00 55.12 C ATOM 688 CD LYS A 43 -19.007 -1.601 -8.899 1.00 22.32 C ATOM 689 CE LYS A 43 -18.293 -2.495 -9.917 1.00 35.40 C ATOM 690 NZ LYS A 43 -19.199 -3.395 -10.655 1.00 11.45 N ATOM 0 H LYS A 43 -18.578 -2.751 -4.754 1.00 54.51 H new ATOM 0 HA LYS A 43 -18.057 -0.474 -6.540 1.00 43.04 H new ATOM 0 HB2 LYS A 43 -20.527 -2.079 -5.812 1.00 73.23 H new ATOM 0 HB3 LYS A 43 -20.550 -0.690 -6.880 1.00 73.23 H new ATOM 0 HG2 LYS A 43 -18.758 -3.109 -7.375 1.00 55.12 H new ATOM 0 HG3 LYS A 43 -20.389 -3.000 -8.008 1.00 55.12 H new ATOM 0 HD2 LYS A 43 -19.840 -1.092 -9.383 1.00 22.32 H new ATOM 0 HD3 LYS A 43 -18.322 -0.829 -8.549 1.00 22.32 H new ATOM 0 HE2 LYS A 43 -17.761 -1.865 -10.630 1.00 35.40 H new ATOM 0 HE3 LYS A 43 -17.544 -3.093 -9.399 1.00 35.40 H new ATOM 0 HZ1 LYS A 43 -18.648 -3.969 -11.325 1.00 11.45 H new ATOM 0 HZ2 LYS A 43 -19.689 -4.021 -9.984 1.00 11.45 H new ATOM 0 HZ3 LYS A 43 -19.899 -2.831 -11.177 1.00 11.45 H new ATOM 704 N GLY A 44 -19.672 -0.211 -3.652 1.00 23.32 N ATOM 705 CA GLY A 44 -20.275 0.740 -2.723 1.00 72.32 C ATOM 706 C GLY A 44 -19.310 1.649 -1.961 1.00 10.35 C ATOM 707 O GLY A 44 -19.763 2.439 -1.132 1.00 73.25 O ATOM 0 H GLY A 44 -19.730 -1.181 -3.342 1.00 23.32 H new ATOM 0 HA2 GLY A 44 -20.969 1.369 -3.280 1.00 72.32 H new ATOM 0 HA3 GLY A 44 -20.864 0.181 -1.996 1.00 72.32 H new ATOM 711 N ILE A 45 -18.008 1.533 -2.188 1.00 70.04 N ATOM 712 CA ILE A 45 -16.962 2.352 -1.593 1.00 61.13 C ATOM 713 C ILE A 45 -17.037 3.772 -2.151 1.00 52.52 C ATOM 714 O ILE A 45 -17.188 3.973 -3.360 1.00 23.33 O ATOM 715 CB ILE A 45 -15.592 1.672 -1.813 1.00 63.24 C ATOM 716 CG1 ILE A 45 -14.366 2.571 -1.549 1.00 22.14 C ATOM 717 CG2 ILE A 45 -15.493 0.959 -3.170 1.00 15.23 C ATOM 718 CD1 ILE A 45 -13.774 3.296 -2.758 1.00 44.31 C ATOM 0 H ILE A 45 -17.635 0.829 -2.825 1.00 70.04 H new ATOM 0 HA ILE A 45 -17.102 2.438 -0.515 1.00 61.13 H new ATOM 0 HB ILE A 45 -15.554 0.910 -1.035 1.00 63.24 H new ATOM 0 HG12 ILE A 45 -14.646 3.319 -0.807 1.00 22.14 H new ATOM 0 HG13 ILE A 45 -13.583 1.957 -1.103 1.00 22.14 H new ATOM 0 HG21 ILE A 45 -14.509 0.500 -3.269 1.00 15.23 H new ATOM 0 HG22 ILE A 45 -16.261 0.188 -3.233 1.00 15.23 H new ATOM 0 HG23 ILE A 45 -15.638 1.682 -3.972 1.00 15.23 H new ATOM 0 HD11 ILE A 45 -12.919 3.894 -2.441 1.00 44.31 H new ATOM 0 HD12 ILE A 45 -13.451 2.564 -3.498 1.00 44.31 H new ATOM 0 HD13 ILE A 45 -14.529 3.947 -3.197 1.00 44.31 H new ATOM 730 N LYS A 46 -16.900 4.763 -1.274 1.00 25.22 N ATOM 731 CA LYS A 46 -16.726 6.161 -1.634 1.00 34.32 C ATOM 732 C LYS A 46 -15.231 6.447 -1.690 1.00 2.30 C ATOM 733 O LYS A 46 -14.508 6.190 -0.730 1.00 1.15 O ATOM 734 CB LYS A 46 -17.486 7.024 -0.611 1.00 44.25 C ATOM 735 CG LYS A 46 -17.486 8.528 -0.944 1.00 73.43 C ATOM 736 CD LYS A 46 -16.361 9.327 -0.274 1.00 43.31 C ATOM 737 CE LYS A 46 -16.462 9.404 1.257 1.00 1.10 C ATOM 738 NZ LYS A 46 -17.632 10.169 1.727 1.00 70.30 N ATOM 0 H LYS A 46 -16.908 4.608 -0.266 1.00 25.22 H new ATOM 0 HA LYS A 46 -17.138 6.400 -2.614 1.00 34.32 H new ATOM 0 HB2 LYS A 46 -18.517 6.675 -0.550 1.00 44.25 H new ATOM 0 HB3 LYS A 46 -17.042 6.879 0.374 1.00 44.25 H new ATOM 0 HG2 LYS A 46 -17.406 8.648 -2.024 1.00 73.43 H new ATOM 0 HG3 LYS A 46 -18.444 8.953 -0.646 1.00 73.43 H new ATOM 0 HD2 LYS A 46 -15.404 8.878 -0.541 1.00 43.31 H new ATOM 0 HD3 LYS A 46 -16.361 10.340 -0.677 1.00 43.31 H new ATOM 0 HE2 LYS A 46 -16.511 8.393 1.662 1.00 1.10 H new ATOM 0 HE3 LYS A 46 -15.555 9.862 1.651 1.00 1.10 H new ATOM 0 HZ1 LYS A 46 -17.642 10.183 2.767 1.00 70.30 H new ATOM 0 HZ2 LYS A 46 -17.577 11.143 1.368 1.00 70.30 H new ATOM 0 HZ3 LYS A 46 -18.503 9.720 1.378 1.00 70.30 H new ATOM 752 N ILE A 47 -14.760 6.982 -2.813 1.00 72.25 N ATOM 753 CA ILE A 47 -13.365 7.366 -2.996 1.00 11.43 C ATOM 754 C ILE A 47 -13.172 8.651 -2.185 1.00 34.03 C ATOM 755 O ILE A 47 -13.814 9.659 -2.500 1.00 53.33 O ATOM 756 CB ILE A 47 -13.033 7.586 -4.493 1.00 43.34 C ATOM 757 CG1 ILE A 47 -13.554 6.481 -5.439 1.00 64.34 C ATOM 758 CG2 ILE A 47 -11.514 7.770 -4.659 1.00 24.44 C ATOM 759 CD1 ILE A 47 -12.782 5.164 -5.370 1.00 51.35 C ATOM 0 H ILE A 47 -15.343 7.163 -3.630 1.00 72.25 H new ATOM 0 HA ILE A 47 -12.691 6.581 -2.655 1.00 11.43 H new ATOM 0 HB ILE A 47 -13.566 8.488 -4.794 1.00 43.34 H new ATOM 0 HG12 ILE A 47 -14.601 6.285 -5.205 1.00 64.34 H new ATOM 0 HG13 ILE A 47 -13.520 6.853 -6.463 1.00 64.34 H new ATOM 0 HG21 ILE A 47 -11.279 7.925 -5.712 1.00 24.44 H new ATOM 0 HG22 ILE A 47 -11.187 8.636 -4.083 1.00 24.44 H new ATOM 0 HG23 ILE A 47 -10.998 6.880 -4.299 1.00 24.44 H new ATOM 0 HD11 ILE A 47 -13.219 4.449 -6.068 1.00 51.35 H new ATOM 0 HD12 ILE A 47 -11.739 5.339 -5.635 1.00 51.35 H new ATOM 0 HD13 ILE A 47 -12.837 4.763 -4.358 1.00 51.35 H new ATOM 771 N GLN A 48 -12.333 8.616 -1.148 1.00 43.34 N ATOM 772 CA GLN A 48 -11.913 9.783 -0.381 1.00 64.21 C ATOM 773 C GLN A 48 -10.515 9.572 0.174 1.00 43.11 C ATOM 774 O GLN A 48 -10.078 8.432 0.296 1.00 52.24 O ATOM 775 CB GLN A 48 -12.877 10.057 0.784 1.00 44.14 C ATOM 776 CG GLN A 48 -12.994 8.872 1.777 1.00 64.11 C ATOM 777 CD GLN A 48 -13.261 9.308 3.214 1.00 63.42 C ATOM 778 OE1 GLN A 48 -14.175 8.818 3.868 1.00 51.42 O ATOM 779 NE2 GLN A 48 -12.495 10.257 3.735 1.00 65.31 N ATOM 0 H GLN A 48 -11.917 7.748 -0.811 1.00 43.34 H new ATOM 0 HA GLN A 48 -11.919 10.640 -1.054 1.00 64.21 H new ATOM 0 HB2 GLN A 48 -12.541 10.942 1.324 1.00 44.14 H new ATOM 0 HB3 GLN A 48 -13.865 10.284 0.383 1.00 44.14 H new ATOM 0 HG2 GLN A 48 -13.798 8.212 1.450 1.00 64.11 H new ATOM 0 HG3 GLN A 48 -12.072 8.291 1.747 1.00 64.11 H new ATOM 0 HE21 GLN A 48 -11.737 10.660 3.185 1.00 65.31 H new ATOM 0 HE22 GLN A 48 -12.664 10.584 4.686 1.00 65.31 H new ATOM 788 N GLU A 49 -9.857 10.647 0.603 1.00 4.54 N ATOM 789 CA GLU A 49 -8.592 10.573 1.314 1.00 45.44 C ATOM 790 C GLU A 49 -8.892 10.550 2.814 1.00 62.24 C ATOM 791 O GLU A 49 -8.875 11.535 3.552 1.00 44.23 O ATOM 792 CB GLU A 49 -7.599 11.633 0.828 1.00 45.51 C ATOM 793 CG GLU A 49 -7.955 13.069 1.238 1.00 60.51 C ATOM 794 CD GLU A 49 -7.177 13.620 2.445 1.00 5.22 C ATOM 795 OE1 GLU A 49 -6.052 13.148 2.734 1.00 64.22 O ATOM 796 OE2 GLU A 49 -7.675 14.582 3.074 1.00 71.13 O ATOM 0 H GLU A 49 -10.193 11.600 0.463 1.00 4.54 H new ATOM 0 HA GLU A 49 -8.060 9.648 1.093 1.00 45.44 H new ATOM 0 HB2 GLU A 49 -6.609 11.392 1.216 1.00 45.51 H new ATOM 0 HB3 GLU A 49 -7.536 11.583 -0.259 1.00 45.51 H new ATOM 0 HG2 GLU A 49 -7.783 13.726 0.385 1.00 60.51 H new ATOM 0 HG3 GLU A 49 -9.021 13.111 1.463 1.00 60.51 H new ATOM 803 N GLY A 50 -9.274 9.373 3.258 1.00 42.42 N ATOM 804 CA GLY A 50 -9.482 9.018 4.649 1.00 25.32 C ATOM 805 C GLY A 50 -9.480 7.509 4.758 1.00 22.34 C ATOM 806 O GLY A 50 -9.232 6.817 3.767 1.00 50.23 O ATOM 0 H GLY A 50 -9.458 8.594 2.626 1.00 42.42 H new ATOM 0 HA2 GLY A 50 -8.696 9.445 5.272 1.00 25.32 H new ATOM 0 HA3 GLY A 50 -10.428 9.424 5.007 1.00 25.32 H new ATOM 810 N ILE A 51 -9.725 7.004 5.966 1.00 42.53 N ATOM 811 CA ILE A 51 -10.042 5.599 6.149 1.00 64.31 C ATOM 812 C ILE A 51 -11.425 5.450 5.539 1.00 52.44 C ATOM 813 O ILE A 51 -12.396 6.057 5.996 1.00 34.32 O ATOM 814 CB ILE A 51 -10.029 5.170 7.627 1.00 4.15 C ATOM 815 CG1 ILE A 51 -8.706 5.509 8.345 1.00 20.02 C ATOM 816 CG2 ILE A 51 -10.351 3.671 7.781 1.00 73.35 C ATOM 817 CD1 ILE A 51 -7.520 4.577 8.081 1.00 72.13 C ATOM 0 H ILE A 51 -9.709 7.550 6.827 1.00 42.53 H new ATOM 0 HA ILE A 51 -9.298 4.956 5.678 1.00 64.31 H new ATOM 0 HB ILE A 51 -10.814 5.751 8.111 1.00 4.15 H new ATOM 0 HG12 ILE A 51 -8.414 6.520 8.060 1.00 20.02 H new ATOM 0 HG13 ILE A 51 -8.895 5.522 9.418 1.00 20.02 H new ATOM 0 HG21 ILE A 51 -10.333 3.402 8.837 1.00 73.35 H new ATOM 0 HG22 ILE A 51 -11.340 3.467 7.371 1.00 73.35 H new ATOM 0 HG23 ILE A 51 -9.607 3.082 7.244 1.00 73.35 H new ATOM 0 HD11 ILE A 51 -6.653 4.924 8.643 1.00 72.13 H new ATOM 0 HD12 ILE A 51 -7.775 3.565 8.395 1.00 72.13 H new ATOM 0 HD13 ILE A 51 -7.286 4.578 7.016 1.00 72.13 H new ATOM 829 N VAL A 52 -11.481 4.696 4.467 1.00 72.34 N ATOM 830 CA VAL A 52 -12.678 4.031 4.019 1.00 12.31 C ATOM 831 C VAL A 52 -12.735 2.763 4.877 1.00 42.44 C ATOM 832 O VAL A 52 -11.707 2.129 5.126 1.00 33.41 O ATOM 833 CB VAL A 52 -12.526 3.754 2.510 1.00 33.01 C ATOM 834 CG1 VAL A 52 -13.688 2.968 1.912 1.00 33.41 C ATOM 835 CG2 VAL A 52 -12.377 5.065 1.716 1.00 4.42 C ATOM 0 H VAL A 52 -10.674 4.525 3.868 1.00 72.34 H new ATOM 0 HA VAL A 52 -13.603 4.597 4.131 1.00 12.31 H new ATOM 0 HB VAL A 52 -11.625 3.146 2.426 1.00 33.01 H new ATOM 0 HG11 VAL A 52 -13.512 2.811 0.848 1.00 33.41 H new ATOM 0 HG12 VAL A 52 -13.770 2.003 2.412 1.00 33.41 H new ATOM 0 HG13 VAL A 52 -14.614 3.527 2.048 1.00 33.41 H new ATOM 0 HG21 VAL A 52 -12.272 4.838 0.655 1.00 4.42 H new ATOM 0 HG22 VAL A 52 -13.260 5.685 1.868 1.00 4.42 H new ATOM 0 HG23 VAL A 52 -11.493 5.601 2.062 1.00 4.42 H new ATOM 845 N ASP A 53 -13.922 2.359 5.314 1.00 14.55 N ATOM 846 CA ASP A 53 -14.122 1.055 5.934 1.00 45.15 C ATOM 847 C ASP A 53 -15.194 0.315 5.146 1.00 14.32 C ATOM 848 O ASP A 53 -16.332 0.107 5.583 1.00 0.51 O ATOM 849 CB ASP A 53 -14.370 1.144 7.440 1.00 52.13 C ATOM 850 CG ASP A 53 -14.482 -0.257 8.034 1.00 70.50 C ATOM 851 OD1 ASP A 53 -13.673 -1.137 7.666 1.00 64.50 O ATOM 852 OD2 ASP A 53 -15.382 -0.495 8.873 1.00 41.33 O ATOM 0 H ASP A 53 -14.769 2.923 5.249 1.00 14.55 H new ATOM 0 HA ASP A 53 -13.205 0.468 5.881 1.00 45.15 H new ATOM 0 HB2 ASP A 53 -13.556 1.687 7.920 1.00 52.13 H new ATOM 0 HB3 ASP A 53 -15.285 1.704 7.634 1.00 52.13 H new ATOM 857 N TYR A 54 -14.807 -0.020 3.920 1.00 44.43 N ATOM 858 CA TYR A 54 -15.570 -0.729 2.910 1.00 50.30 C ATOM 859 C TYR A 54 -14.638 -1.729 2.228 1.00 12.11 C ATOM 860 O TYR A 54 -13.972 -1.369 1.265 1.00 51.41 O ATOM 861 CB TYR A 54 -16.207 0.274 1.920 1.00 23.34 C ATOM 862 CG TYR A 54 -17.416 -0.278 1.197 1.00 32.03 C ATOM 863 CD1 TYR A 54 -17.251 -1.160 0.119 1.00 72.53 C ATOM 864 CD2 TYR A 54 -18.708 0.053 1.640 1.00 2.53 C ATOM 865 CE1 TYR A 54 -18.375 -1.761 -0.482 1.00 20.44 C ATOM 866 CE2 TYR A 54 -19.835 -0.539 1.048 1.00 44.30 C ATOM 867 CZ TYR A 54 -19.673 -1.467 -0.002 1.00 63.25 C ATOM 868 OH TYR A 54 -20.759 -2.079 -0.552 1.00 12.24 O ATOM 0 H TYR A 54 -13.874 0.219 3.584 1.00 44.43 H new ATOM 0 HA TYR A 54 -16.398 -1.281 3.356 1.00 50.30 H new ATOM 0 HB2 TYR A 54 -16.497 1.174 2.463 1.00 23.34 H new ATOM 0 HB3 TYR A 54 -15.459 0.572 1.185 1.00 23.34 H new ATOM 0 HD1 TYR A 54 -16.260 -1.379 -0.251 1.00 72.53 H new ATOM 0 HD2 TYR A 54 -18.835 0.767 2.440 1.00 2.53 H new ATOM 0 HE1 TYR A 54 -18.246 -2.445 -1.308 1.00 20.44 H new ATOM 0 HE2 TYR A 54 -20.825 -0.284 1.396 1.00 44.30 H new ATOM 0 HH TYR A 54 -21.573 -1.765 -0.105 1.00 12.24 H new ATOM 878 N GLY A 55 -14.484 -2.950 2.730 1.00 74.43 N ATOM 879 CA GLY A 55 -13.617 -3.984 2.172 1.00 30.15 C ATOM 880 C GLY A 55 -12.454 -4.259 3.118 1.00 23.12 C ATOM 881 O GLY A 55 -12.563 -5.167 3.935 1.00 62.34 O ATOM 0 H GLY A 55 -14.977 -3.259 3.568 1.00 74.43 H new ATOM 0 HA2 GLY A 55 -14.187 -4.899 2.009 1.00 30.15 H new ATOM 0 HA3 GLY A 55 -13.238 -3.667 1.200 1.00 30.15 H new ATOM 885 N VAL A 56 -11.360 -3.500 3.022 1.00 20.24 N ATOM 886 CA VAL A 56 -10.084 -3.762 3.697 1.00 51.31 C ATOM 887 C VAL A 56 -9.467 -2.467 4.250 1.00 23.42 C ATOM 888 O VAL A 56 -8.329 -2.104 3.951 1.00 1.31 O ATOM 889 CB VAL A 56 -9.121 -4.528 2.775 1.00 71.11 C ATOM 890 CG1 VAL A 56 -7.927 -5.088 3.540 1.00 31.02 C ATOM 891 CG2 VAL A 56 -9.755 -5.702 2.018 1.00 52.11 C ATOM 0 H VAL A 56 -11.336 -2.655 2.451 1.00 20.24 H new ATOM 0 HA VAL A 56 -10.278 -4.404 4.556 1.00 51.31 H new ATOM 0 HB VAL A 56 -8.816 -3.773 2.051 1.00 71.11 H new ATOM 0 HG11 VAL A 56 -7.272 -5.622 2.852 1.00 31.02 H new ATOM 0 HG12 VAL A 56 -7.376 -4.270 4.005 1.00 31.02 H new ATOM 0 HG13 VAL A 56 -8.278 -5.773 4.312 1.00 31.02 H new ATOM 0 HG21 VAL A 56 -9.001 -6.182 1.394 1.00 52.11 H new ATOM 0 HG22 VAL A 56 -10.149 -6.425 2.732 1.00 52.11 H new ATOM 0 HG23 VAL A 56 -10.566 -5.334 1.390 1.00 52.11 H new ATOM 901 N ARG A 57 -10.239 -1.767 5.073 1.00 41.01 N ATOM 902 CA ARG A 57 -9.908 -0.526 5.761 1.00 12.23 C ATOM 903 C ARG A 57 -9.199 0.507 4.866 1.00 4.04 C ATOM 904 O ARG A 57 -8.303 1.191 5.353 1.00 11.54 O ATOM 905 CB ARG A 57 -9.136 -0.831 7.062 1.00 12.34 C ATOM 906 CG ARG A 57 -9.878 -1.709 8.085 1.00 43.42 C ATOM 907 CD ARG A 57 -10.785 -0.905 9.024 1.00 31.20 C ATOM 908 NE ARG A 57 -11.518 -1.805 9.935 1.00 3.25 N ATOM 909 CZ ARG A 57 -11.358 -1.924 11.261 1.00 42.44 C ATOM 910 NH1 ARG A 57 -10.707 -1.002 11.959 1.00 0.51 N ATOM 911 NH2 ARG A 57 -11.859 -2.967 11.914 1.00 55.31 N ATOM 0 H ARG A 57 -11.186 -2.077 5.293 1.00 41.01 H new ATOM 0 HA ARG A 57 -10.847 -0.042 6.030 1.00 12.23 H new ATOM 0 HB2 ARG A 57 -8.199 -1.322 6.801 1.00 12.34 H new ATOM 0 HB3 ARG A 57 -8.878 0.114 7.540 1.00 12.34 H new ATOM 0 HG2 ARG A 57 -10.479 -2.447 7.553 1.00 43.42 H new ATOM 0 HG3 ARG A 57 -9.148 -2.260 8.678 1.00 43.42 H new ATOM 0 HD2 ARG A 57 -10.186 -0.202 9.603 1.00 31.20 H new ATOM 0 HD3 ARG A 57 -11.492 -0.316 8.440 1.00 31.20 H new ATOM 0 HE ARG A 57 -12.225 -2.403 9.508 1.00 3.25 H new ATOM 0 HH11 ARG A 57 -10.318 -0.185 11.487 1.00 0.51 H new ATOM 0 HH12 ARG A 57 -10.595 -1.110 12.967 1.00 0.51 H new ATOM 0 HH21 ARG A 57 -12.372 -3.688 11.407 1.00 55.31 H new ATOM 0 HH22 ARG A 57 -11.731 -3.047 12.923 1.00 55.31 H new ATOM 925 N PHE A 58 -9.516 0.560 3.570 1.00 43.14 N ATOM 926 CA PHE A 58 -8.693 1.191 2.549 1.00 22.33 C ATOM 927 C PHE A 58 -8.414 2.650 2.904 1.00 43.12 C ATOM 928 O PHE A 58 -9.326 3.419 3.191 1.00 45.20 O ATOM 929 CB PHE A 58 -9.350 1.078 1.165 1.00 50.11 C ATOM 930 CG PHE A 58 -9.572 -0.337 0.654 1.00 13.41 C ATOM 931 CD1 PHE A 58 -8.484 -1.205 0.476 1.00 32.21 C ATOM 932 CD2 PHE A 58 -10.866 -0.796 0.354 1.00 40.30 C ATOM 933 CE1 PHE A 58 -8.676 -2.504 -0.013 1.00 20.20 C ATOM 934 CE2 PHE A 58 -11.065 -2.110 -0.116 1.00 35.43 C ATOM 935 CZ PHE A 58 -9.968 -2.960 -0.312 1.00 25.35 C ATOM 0 H PHE A 58 -10.374 0.154 3.198 1.00 43.14 H new ATOM 0 HA PHE A 58 -7.740 0.664 2.510 1.00 22.33 H new ATOM 0 HB2 PHE A 58 -10.313 1.588 1.197 1.00 50.11 H new ATOM 0 HB3 PHE A 58 -8.730 1.612 0.444 1.00 50.11 H new ATOM 0 HD1 PHE A 58 -7.487 -0.868 0.719 1.00 32.21 H new ATOM 0 HD2 PHE A 58 -11.713 -0.138 0.484 1.00 40.30 H new ATOM 0 HE1 PHE A 58 -7.827 -3.155 -0.160 1.00 20.20 H new ATOM 0 HE2 PHE A 58 -12.064 -2.462 -0.325 1.00 35.43 H new ATOM 0 HZ PHE A 58 -10.117 -3.960 -0.691 1.00 25.35 H new ATOM 945 N PHE A 59 -7.147 3.046 2.865 1.00 24.20 N ATOM 946 CA PHE A 59 -6.701 4.375 3.252 1.00 4.22 C ATOM 947 C PHE A 59 -6.092 4.989 2.001 1.00 25.33 C ATOM 948 O PHE A 59 -5.010 4.566 1.583 1.00 13.52 O ATOM 949 CB PHE A 59 -5.737 4.225 4.438 1.00 75.25 C ATOM 950 CG PHE A 59 -5.326 5.458 5.218 1.00 15.24 C ATOM 951 CD1 PHE A 59 -6.280 6.390 5.659 1.00 44.03 C ATOM 952 CD2 PHE A 59 -4.000 5.579 5.659 1.00 40.43 C ATOM 953 CE1 PHE A 59 -5.922 7.429 6.536 1.00 61.54 C ATOM 954 CE2 PHE A 59 -3.632 6.619 6.533 1.00 45.21 C ATOM 955 CZ PHE A 59 -4.597 7.530 6.988 1.00 50.54 C ATOM 0 H PHE A 59 -6.388 2.439 2.557 1.00 24.20 H new ATOM 0 HA PHE A 59 -7.491 5.041 3.599 1.00 4.22 H new ATOM 0 HB2 PHE A 59 -6.190 3.527 5.142 1.00 75.25 H new ATOM 0 HB3 PHE A 59 -4.827 3.755 4.064 1.00 75.25 H new ATOM 0 HD1 PHE A 59 -7.302 6.307 5.320 1.00 44.03 H new ATOM 0 HD2 PHE A 59 -3.257 4.870 5.326 1.00 40.43 H new ATOM 0 HE1 PHE A 59 -6.662 8.145 6.860 1.00 61.54 H new ATOM 0 HE2 PHE A 59 -2.605 6.716 6.854 1.00 45.21 H new ATOM 0 HZ PHE A 59 -4.321 8.308 7.685 1.00 50.54 H new ATOM 965 N PHE A 60 -6.840 5.874 1.337 1.00 44.25 N ATOM 966 CA PHE A 60 -6.379 6.494 0.101 1.00 75.33 C ATOM 967 C PHE A 60 -5.743 7.853 0.389 1.00 41.40 C ATOM 968 O PHE A 60 -6.003 8.480 1.423 1.00 15.03 O ATOM 969 CB PHE A 60 -7.500 6.608 -0.945 1.00 45.21 C ATOM 970 CG PHE A 60 -8.208 5.315 -1.313 1.00 32.43 C ATOM 971 CD1 PHE A 60 -7.645 4.465 -2.283 1.00 55.14 C ATOM 972 CD2 PHE A 60 -9.436 4.964 -0.713 1.00 64.21 C ATOM 973 CE1 PHE A 60 -8.288 3.263 -2.633 1.00 51.24 C ATOM 974 CE2 PHE A 60 -10.075 3.760 -1.063 1.00 3.10 C ATOM 975 CZ PHE A 60 -9.497 2.905 -2.015 1.00 41.14 C ATOM 0 H PHE A 60 -7.767 6.175 1.638 1.00 44.25 H new ATOM 0 HA PHE A 60 -5.618 5.843 -0.330 1.00 75.33 H new ATOM 0 HB2 PHE A 60 -8.244 7.313 -0.574 1.00 45.21 H new ATOM 0 HB3 PHE A 60 -7.079 7.038 -1.853 1.00 45.21 H new ATOM 0 HD1 PHE A 60 -6.715 4.736 -2.761 1.00 55.14 H new ATOM 0 HD2 PHE A 60 -9.886 5.621 0.016 1.00 64.21 H new ATOM 0 HE1 PHE A 60 -7.851 2.615 -3.378 1.00 51.24 H new ATOM 0 HE2 PHE A 60 -11.013 3.493 -0.598 1.00 3.10 H new ATOM 0 HZ PHE A 60 -9.981 1.974 -2.271 1.00 41.14 H new ATOM 985 N TYR A 61 -4.957 8.326 -0.579 1.00 74.11 N ATOM 986 CA TYR A 61 -4.169 9.551 -0.534 1.00 51.15 C ATOM 987 C TYR A 61 -4.262 10.220 -1.894 1.00 13.12 C ATOM 988 O TYR A 61 -4.320 9.514 -2.903 1.00 22.24 O ATOM 989 CB TYR A 61 -2.693 9.205 -0.297 1.00 22.35 C ATOM 990 CG TYR A 61 -2.443 8.105 0.710 1.00 1.02 C ATOM 991 CD1 TYR A 61 -2.893 8.275 2.024 1.00 21.05 C ATOM 992 CD2 TYR A 61 -1.777 6.924 0.340 1.00 71.34 C ATOM 993 CE1 TYR A 61 -2.640 7.295 2.997 1.00 4.12 C ATOM 994 CE2 TYR A 61 -1.511 5.942 1.308 1.00 41.12 C ATOM 995 CZ TYR A 61 -1.904 6.141 2.648 1.00 52.41 C ATOM 996 OH TYR A 61 -1.488 5.283 3.617 1.00 11.40 O ATOM 0 H TYR A 61 -4.850 7.833 -1.466 1.00 74.11 H new ATOM 0 HA TYR A 61 -4.540 10.196 0.262 1.00 51.15 H new ATOM 0 HB2 TYR A 61 -2.248 8.913 -1.248 1.00 22.35 H new ATOM 0 HB3 TYR A 61 -2.174 10.104 0.035 1.00 22.35 H new ATOM 0 HD1 TYR A 61 -3.439 9.167 2.292 1.00 21.05 H new ATOM 0 HD2 TYR A 61 -1.471 6.772 -0.685 1.00 71.34 H new ATOM 0 HE1 TYR A 61 -3.006 7.423 4.005 1.00 4.12 H new ATOM 0 HE2 TYR A 61 -1.004 5.031 1.026 1.00 41.12 H new ATOM 0 HH TYR A 61 -1.910 5.521 4.468 1.00 11.40 H new ATOM 1006 N THR A 62 -4.203 11.544 -1.955 1.00 3.35 N ATOM 1007 CA THR A 62 -4.214 12.265 -3.224 1.00 43.22 C ATOM 1008 C THR A 62 -2.794 12.645 -3.637 1.00 42.43 C ATOM 1009 O THR A 62 -1.914 12.822 -2.792 1.00 20.21 O ATOM 1010 CB THR A 62 -5.125 13.494 -3.125 1.00 31.43 C ATOM 1011 OG1 THR A 62 -4.806 14.314 -2.028 1.00 22.22 O ATOM 1012 CG2 THR A 62 -6.591 13.094 -2.993 1.00 71.35 C ATOM 0 H THR A 62 -4.147 12.146 -1.133 1.00 3.35 H new ATOM 0 HA THR A 62 -4.616 11.614 -4.000 1.00 43.22 H new ATOM 0 HB THR A 62 -4.964 14.048 -4.050 1.00 31.43 H new ATOM 0 HG1 THR A 62 -5.631 14.642 -1.614 1.00 22.22 H new ATOM 0 HG21 THR A 62 -7.208 13.990 -2.925 1.00 71.35 H new ATOM 0 HG22 THR A 62 -6.890 12.513 -3.866 1.00 71.35 H new ATOM 0 HG23 THR A 62 -6.725 12.493 -2.094 1.00 71.35 H new ATOM 1020 N SER A 63 -2.581 12.813 -4.942 1.00 3.15 N ATOM 1021 CA SER A 63 -1.320 13.281 -5.497 1.00 32.23 C ATOM 1022 C SER A 63 -1.098 14.788 -5.276 1.00 55.44 C ATOM 1023 O SER A 63 -0.075 15.316 -5.709 1.00 41.54 O ATOM 1024 CB SER A 63 -1.276 12.873 -6.975 1.00 11.51 C ATOM 1025 OG SER A 63 0.045 12.729 -7.441 1.00 14.03 O ATOM 0 H SER A 63 -3.291 12.624 -5.649 1.00 3.15 H new ATOM 0 HA SER A 63 -0.488 12.812 -4.971 1.00 32.23 H new ATOM 0 HB2 SER A 63 -1.812 11.934 -7.108 1.00 11.51 H new ATOM 0 HB3 SER A 63 -1.793 13.623 -7.574 1.00 11.51 H new ATOM 0 HG SER A 63 0.032 12.467 -8.385 1.00 14.03 H new ATOM 1031 N LYS A 64 -2.012 15.512 -4.605 1.00 75.24 N ATOM 1032 CA LYS A 64 -1.680 16.867 -4.165 1.00 11.22 C ATOM 1033 C LYS A 64 -0.637 16.843 -3.042 1.00 74.25 C ATOM 1034 O LYS A 64 0.121 17.792 -2.880 1.00 14.34 O ATOM 1035 CB LYS A 64 -2.894 17.704 -3.793 1.00 40.03 C ATOM 1036 CG LYS A 64 -3.371 17.435 -2.364 1.00 50.43 C ATOM 1037 CD LYS A 64 -4.857 17.289 -2.356 1.00 53.35 C ATOM 1038 CE LYS A 64 -5.592 18.622 -2.440 1.00 51.14 C ATOM 1039 NZ LYS A 64 -7.025 18.362 -2.640 1.00 20.34 N ATOM 0 H LYS A 64 -2.950 15.192 -4.365 1.00 75.24 H new ATOM 0 HA LYS A 64 -1.240 17.367 -5.028 1.00 11.22 H new ATOM 0 HB2 LYS A 64 -2.650 18.761 -3.899 1.00 40.03 H new ATOM 0 HB3 LYS A 64 -3.705 17.493 -4.490 1.00 40.03 H new ATOM 0 HG2 LYS A 64 -2.904 16.529 -1.977 1.00 50.43 H new ATOM 0 HG3 LYS A 64 -3.071 18.253 -1.709 1.00 50.43 H new ATOM 0 HD2 LYS A 64 -5.158 16.662 -3.195 1.00 53.35 H new ATOM 0 HD3 LYS A 64 -5.160 16.771 -1.446 1.00 53.35 H new ATOM 0 HE2 LYS A 64 -5.437 19.197 -1.527 1.00 51.14 H new ATOM 0 HE3 LYS A 64 -5.198 19.219 -3.263 1.00 51.14 H new ATOM 0 HZ1 LYS A 64 -7.537 19.265 -2.699 1.00 20.34 H new ATOM 0 HZ2 LYS A 64 -7.161 17.829 -3.522 1.00 20.34 H new ATOM 0 HZ3 LYS A 64 -7.392 17.808 -1.840 1.00 20.34 H new ATOM 1053 N GLU A 65 -0.687 15.797 -2.216 1.00 73.14 N ATOM 1054 CA GLU A 65 -0.051 15.752 -0.910 1.00 73.44 C ATOM 1055 C GLU A 65 1.406 15.290 -1.085 1.00 35.43 C ATOM 1056 O GLU A 65 1.741 14.720 -2.127 1.00 33.13 O ATOM 1057 CB GLU A 65 -0.863 14.777 -0.035 1.00 31.33 C ATOM 1058 CG GLU A 65 -1.524 15.395 1.206 1.00 51.42 C ATOM 1059 CD GLU A 65 -2.791 16.224 0.962 1.00 45.31 C ATOM 1060 OE1 GLU A 65 -2.703 17.438 0.674 1.00 34.14 O ATOM 1061 OE2 GLU A 65 -3.884 15.635 1.163 1.00 63.23 O ATOM 0 H GLU A 65 -1.185 14.938 -2.448 1.00 73.14 H new ATOM 0 HA GLU A 65 -0.032 16.729 -0.428 1.00 73.44 H new ATOM 0 HB2 GLU A 65 -1.640 14.324 -0.651 1.00 31.33 H new ATOM 0 HB3 GLU A 65 -0.204 13.972 0.289 1.00 31.33 H new ATOM 0 HG2 GLU A 65 -1.770 14.590 1.898 1.00 51.42 H new ATOM 0 HG3 GLU A 65 -0.791 16.030 1.703 1.00 51.42 H new ATOM 1068 N PRO A 66 2.304 15.510 -0.109 1.00 42.13 N ATOM 1069 CA PRO A 66 3.646 14.937 -0.134 1.00 44.04 C ATOM 1070 C PRO A 66 3.576 13.424 0.120 1.00 10.44 C ATOM 1071 O PRO A 66 2.505 12.874 0.386 1.00 73.14 O ATOM 1072 CB PRO A 66 4.423 15.686 0.956 1.00 43.42 C ATOM 1073 CG PRO A 66 3.353 16.121 1.950 1.00 22.11 C ATOM 1074 CD PRO A 66 2.089 16.275 1.107 1.00 25.34 C ATOM 0 HA PRO A 66 4.141 15.050 -1.098 1.00 44.04 H new ATOM 0 HB2 PRO A 66 5.166 15.043 1.428 1.00 43.42 H new ATOM 0 HB3 PRO A 66 4.957 16.543 0.546 1.00 43.42 H new ATOM 0 HG2 PRO A 66 3.217 15.379 2.737 1.00 22.11 H new ATOM 0 HG3 PRO A 66 3.622 17.058 2.438 1.00 22.11 H new ATOM 0 HD2 PRO A 66 1.216 15.907 1.647 1.00 25.34 H new ATOM 0 HD3 PRO A 66 1.903 17.324 0.877 1.00 25.34 H new ATOM 1082 N VAL A 67 4.719 12.736 0.094 1.00 72.04 N ATOM 1083 CA VAL A 67 4.768 11.323 0.471 1.00 4.15 C ATOM 1084 C VAL A 67 4.903 11.218 1.997 1.00 4.13 C ATOM 1085 O VAL A 67 4.342 10.317 2.614 1.00 55.43 O ATOM 1086 CB VAL A 67 5.889 10.575 -0.290 1.00 32.21 C ATOM 1087 CG1 VAL A 67 5.628 9.062 -0.313 1.00 53.54 C ATOM 1088 CG2 VAL A 67 5.990 11.031 -1.752 1.00 22.10 C ATOM 0 H VAL A 67 5.618 13.132 -0.182 1.00 72.04 H new ATOM 0 HA VAL A 67 3.840 10.830 0.180 1.00 4.15 H new ATOM 0 HB VAL A 67 6.813 10.804 0.241 1.00 32.21 H new ATOM 0 HG11 VAL A 67 6.431 8.562 -0.854 1.00 53.54 H new ATOM 0 HG12 VAL A 67 5.589 8.684 0.709 1.00 53.54 H new ATOM 0 HG13 VAL A 67 4.678 8.864 -0.810 1.00 53.54 H new ATOM 0 HG21 VAL A 67 6.789 10.482 -2.250 1.00 22.10 H new ATOM 0 HG22 VAL A 67 5.045 10.837 -2.260 1.00 22.10 H new ATOM 0 HG23 VAL A 67 6.208 12.098 -1.786 1.00 22.10 H new ATOM 1098 N ALA A 68 5.618 12.148 2.637 1.00 3.41 N ATOM 1099 CA ALA A 68 5.934 12.047 4.055 1.00 73.34 C ATOM 1100 C ALA A 68 4.731 12.253 4.983 1.00 4.33 C ATOM 1101 O ALA A 68 4.658 11.572 6.008 1.00 33.44 O ATOM 1102 CB ALA A 68 7.034 13.045 4.394 1.00 25.22 C ATOM 0 H ALA A 68 5.989 12.984 2.186 1.00 3.41 H new ATOM 0 HA ALA A 68 6.267 11.024 4.229 1.00 73.34 H new ATOM 0 HB1 ALA A 68 7.275 12.974 5.455 1.00 25.22 H new ATOM 0 HB2 ALA A 68 7.923 12.821 3.804 1.00 25.22 H new ATOM 0 HB3 ALA A 68 6.692 14.055 4.166 1.00 25.22 H new ATOM 1108 N SER A 69 3.807 13.177 4.686 1.00 61.22 N ATOM 1109 CA SER A 69 2.724 13.464 5.632 1.00 23.42 C ATOM 1110 C SER A 69 1.786 12.248 5.764 1.00 42.34 C ATOM 1111 O SER A 69 1.360 11.934 6.879 1.00 23.03 O ATOM 1112 CB SER A 69 2.018 14.787 5.286 1.00 33.13 C ATOM 1113 OG SER A 69 1.405 15.348 6.421 1.00 63.52 O ATOM 0 H SER A 69 3.787 13.723 3.825 1.00 61.22 H new ATOM 0 HA SER A 69 3.141 13.622 6.627 1.00 23.42 H new ATOM 0 HB2 SER A 69 2.741 15.491 4.874 1.00 33.13 H new ATOM 0 HB3 SER A 69 1.269 14.611 4.514 1.00 33.13 H new ATOM 0 HG SER A 69 0.965 16.188 6.174 1.00 63.52 H new ATOM 1119 N ILE A 70 1.553 11.505 4.672 1.00 75.20 N ATOM 1120 CA ILE A 70 0.929 10.176 4.670 1.00 23.11 C ATOM 1121 C ILE A 70 1.555 9.296 5.758 1.00 15.32 C ATOM 1122 O ILE A 70 0.839 8.728 6.587 1.00 44.52 O ATOM 1123 CB ILE A 70 1.064 9.498 3.278 1.00 60.23 C ATOM 1124 CG1 ILE A 70 0.218 10.185 2.188 1.00 41.25 C ATOM 1125 CG2 ILE A 70 0.710 8.003 3.352 1.00 23.54 C ATOM 1126 CD1 ILE A 70 0.681 9.868 0.758 1.00 40.41 C ATOM 0 H ILE A 70 1.802 11.824 3.736 1.00 75.20 H new ATOM 0 HA ILE A 70 -0.133 10.297 4.883 1.00 23.11 H new ATOM 0 HB ILE A 70 2.110 9.607 2.992 1.00 60.23 H new ATOM 0 HG12 ILE A 70 -0.822 9.879 2.300 1.00 41.25 H new ATOM 0 HG13 ILE A 70 0.251 11.264 2.341 1.00 41.25 H new ATOM 0 HG21 ILE A 70 0.813 7.555 2.364 1.00 23.54 H new ATOM 0 HG22 ILE A 70 1.383 7.504 4.049 1.00 23.54 H new ATOM 0 HG23 ILE A 70 -0.318 7.889 3.696 1.00 23.54 H new ATOM 0 HD11 ILE A 70 0.040 10.386 0.045 1.00 40.41 H new ATOM 0 HD12 ILE A 70 1.711 10.200 0.627 1.00 40.41 H new ATOM 0 HD13 ILE A 70 0.621 8.793 0.586 1.00 40.41 H new ATOM 1138 N ILE A 71 2.882 9.154 5.741 1.00 2.43 N ATOM 1139 CA ILE A 71 3.614 8.269 6.640 1.00 75.31 C ATOM 1140 C ILE A 71 3.368 8.706 8.083 1.00 15.40 C ATOM 1141 O ILE A 71 3.086 7.863 8.935 1.00 12.42 O ATOM 1142 CB ILE A 71 5.119 8.261 6.277 1.00 32.33 C ATOM 1143 CG1 ILE A 71 5.380 7.804 4.825 1.00 4.14 C ATOM 1144 CG2 ILE A 71 5.934 7.407 7.259 1.00 64.34 C ATOM 1145 CD1 ILE A 71 5.212 6.306 4.581 1.00 22.10 C ATOM 0 H ILE A 71 3.484 9.660 5.091 1.00 2.43 H new ATOM 0 HA ILE A 71 3.257 7.245 6.532 1.00 75.31 H new ATOM 0 HB ILE A 71 5.452 9.296 6.358 1.00 32.33 H new ATOM 0 HG12 ILE A 71 4.703 8.343 4.163 1.00 4.14 H new ATOM 0 HG13 ILE A 71 6.394 8.091 4.546 1.00 4.14 H new ATOM 0 HG21 ILE A 71 6.985 7.426 6.972 1.00 64.34 H new ATOM 0 HG22 ILE A 71 5.826 7.808 8.267 1.00 64.34 H new ATOM 0 HG23 ILE A 71 5.570 6.380 7.237 1.00 64.34 H new ATOM 0 HD11 ILE A 71 5.416 6.083 3.534 1.00 22.10 H new ATOM 0 HD12 ILE A 71 5.909 5.754 5.212 1.00 22.10 H new ATOM 0 HD13 ILE A 71 4.191 6.010 4.823 1.00 22.10 H new ATOM 1157 N THR A 72 3.452 10.006 8.367 1.00 3.33 N ATOM 1158 CA THR A 72 3.207 10.538 9.699 1.00 12.23 C ATOM 1159 C THR A 72 1.765 10.227 10.150 1.00 45.30 C ATOM 1160 O THR A 72 1.562 9.886 11.320 1.00 12.33 O ATOM 1161 CB THR A 72 3.552 12.039 9.708 1.00 64.45 C ATOM 1162 OG1 THR A 72 4.814 12.248 9.087 1.00 55.51 O ATOM 1163 CG2 THR A 72 3.661 12.589 11.130 1.00 33.43 C ATOM 0 H THR A 72 3.692 10.717 7.676 1.00 3.33 H new ATOM 0 HA THR A 72 3.852 10.054 10.433 1.00 12.23 H new ATOM 0 HB THR A 72 2.750 12.550 9.175 1.00 64.45 H new ATOM 0 HG1 THR A 72 5.028 13.204 9.094 1.00 55.51 H new ATOM 0 HG21 THR A 72 3.906 13.651 11.092 1.00 33.43 H new ATOM 0 HG22 THR A 72 2.711 12.454 11.646 1.00 33.43 H new ATOM 0 HG23 THR A 72 4.445 12.055 11.667 1.00 33.43 H new ATOM 1171 N LYS A 73 0.785 10.267 9.233 1.00 1.21 N ATOM 1172 CA LYS A 73 -0.602 9.878 9.486 1.00 22.11 C ATOM 1173 C LYS A 73 -0.686 8.390 9.853 1.00 4.44 C ATOM 1174 O LYS A 73 -1.242 8.053 10.899 1.00 5.15 O ATOM 1175 CB LYS A 73 -1.497 10.264 8.281 1.00 75.00 C ATOM 1176 CG LYS A 73 -2.838 10.850 8.759 1.00 64.44 C ATOM 1177 CD LYS A 73 -3.837 11.198 7.638 1.00 4.52 C ATOM 1178 CE LYS A 73 -3.420 12.391 6.768 1.00 62.40 C ATOM 1179 NZ LYS A 73 -4.437 12.699 5.738 1.00 63.23 N ATOM 0 H LYS A 73 0.944 10.579 8.275 1.00 1.21 H new ATOM 0 HA LYS A 73 -0.984 10.428 10.346 1.00 22.11 H new ATOM 0 HB2 LYS A 73 -0.979 10.992 7.657 1.00 75.00 H new ATOM 0 HB3 LYS A 73 -1.679 9.386 7.662 1.00 75.00 H new ATOM 0 HG2 LYS A 73 -3.309 10.136 9.435 1.00 64.44 H new ATOM 0 HG3 LYS A 73 -2.637 11.751 9.338 1.00 64.44 H new ATOM 0 HD2 LYS A 73 -3.966 10.325 6.999 1.00 4.52 H new ATOM 0 HD3 LYS A 73 -4.808 11.412 8.086 1.00 4.52 H new ATOM 0 HE2 LYS A 73 -3.265 13.266 7.400 1.00 62.40 H new ATOM 0 HE3 LYS A 73 -2.467 12.174 6.285 1.00 62.40 H new ATOM 0 HZ1 LYS A 73 -4.121 13.510 5.170 1.00 63.23 H new ATOM 0 HZ2 LYS A 73 -4.566 11.873 5.120 1.00 63.23 H new ATOM 0 HZ3 LYS A 73 -5.340 12.931 6.200 1.00 63.23 H new ATOM 1193 N LEU A 74 -0.114 7.496 9.032 1.00 12.14 N ATOM 1194 CA LEU A 74 -0.118 6.050 9.292 1.00 54.31 C ATOM 1195 C LEU A 74 0.546 5.708 10.619 1.00 22.43 C ATOM 1196 O LEU A 74 0.145 4.745 11.275 1.00 31.30 O ATOM 1197 CB LEU A 74 0.616 5.257 8.190 1.00 62.41 C ATOM 1198 CG LEU A 74 -0.242 4.862 6.980 1.00 13.32 C ATOM 1199 CD1 LEU A 74 0.606 4.056 6.003 1.00 14.22 C ATOM 1200 CD2 LEU A 74 -1.425 3.978 7.387 1.00 71.14 C ATOM 0 H LEU A 74 0.364 7.756 8.169 1.00 12.14 H new ATOM 0 HA LEU A 74 -1.170 5.767 9.314 1.00 54.31 H new ATOM 0 HB2 LEU A 74 1.458 5.852 7.838 1.00 62.41 H new ATOM 0 HB3 LEU A 74 1.029 4.351 8.632 1.00 62.41 H new ATOM 0 HG LEU A 74 -0.614 5.783 6.532 1.00 13.32 H new ATOM 0 HD11 LEU A 74 -0.000 3.774 5.142 1.00 14.22 H new ATOM 0 HD12 LEU A 74 1.450 4.660 5.670 1.00 14.22 H new ATOM 0 HD13 LEU A 74 0.975 3.157 6.497 1.00 14.22 H new ATOM 0 HD21 LEU A 74 -2.008 3.720 6.503 1.00 71.14 H new ATOM 0 HD22 LEU A 74 -1.054 3.067 7.856 1.00 71.14 H new ATOM 0 HD23 LEU A 74 -2.056 4.518 8.093 1.00 71.14 H new ATOM 1212 N ASN A 75 1.575 6.463 11.005 1.00 11.22 N ATOM 1213 CA ASN A 75 2.399 6.161 12.170 1.00 32.42 C ATOM 1214 C ASN A 75 1.578 6.095 13.462 1.00 75.13 C ATOM 1215 O ASN A 75 1.952 5.359 14.370 1.00 3.35 O ATOM 1216 CB ASN A 75 3.519 7.205 12.307 1.00 71.21 C ATOM 1217 CG ASN A 75 4.883 6.567 12.536 1.00 22.21 C ATOM 1218 OD1 ASN A 75 5.040 5.628 13.312 1.00 13.41 O ATOM 1219 ND2 ASN A 75 5.906 7.029 11.824 1.00 33.53 N ATOM 0 H ASN A 75 1.860 7.309 10.511 1.00 11.22 H new ATOM 0 HA ASN A 75 2.835 5.174 12.014 1.00 32.42 H new ATOM 0 HB2 ASN A 75 3.554 7.817 11.406 1.00 71.21 H new ATOM 0 HB3 ASN A 75 3.290 7.873 13.137 1.00 71.21 H new ATOM 0 HD21 ASN A 75 6.828 6.603 11.920 1.00 33.53 H new ATOM 0 HD22 ASN A 75 5.769 7.809 11.181 1.00 33.53 H new ATOM 1226 N SER A 76 0.464 6.838 13.530 1.00 44.01 N ATOM 1227 CA SER A 76 -0.457 6.817 14.658 1.00 1.53 C ATOM 1228 C SER A 76 -1.155 5.455 14.779 1.00 54.32 C ATOM 1229 O SER A 76 -1.273 4.930 15.889 1.00 43.11 O ATOM 1230 CB SER A 76 -1.493 7.944 14.493 1.00 54.33 C ATOM 1231 OG SER A 76 -1.519 8.796 15.625 1.00 20.20 O ATOM 0 H SER A 76 0.180 7.478 12.788 1.00 44.01 H new ATOM 0 HA SER A 76 0.109 6.978 15.576 1.00 1.53 H new ATOM 0 HB2 SER A 76 -1.259 8.527 13.603 1.00 54.33 H new ATOM 0 HB3 SER A 76 -2.482 7.511 14.339 1.00 54.33 H new ATOM 0 HG SER A 76 -2.185 9.502 15.488 1.00 20.20 H new ATOM 1237 N LEU A 77 -1.626 4.893 13.658 1.00 44.21 N ATOM 1238 CA LEU A 77 -2.385 3.640 13.640 1.00 51.51 C ATOM 1239 C LEU A 77 -1.506 2.495 14.114 1.00 14.42 C ATOM 1240 O LEU A 77 -1.973 1.624 14.853 1.00 24.54 O ATOM 1241 CB LEU A 77 -2.858 3.299 12.221 1.00 61.42 C ATOM 1242 CG LEU A 77 -3.855 4.290 11.604 1.00 51.00 C ATOM 1243 CD1 LEU A 77 -4.030 3.912 10.139 1.00 35.35 C ATOM 1244 CD2 LEU A 77 -5.229 4.220 12.274 1.00 65.01 C ATOM 0 H LEU A 77 -1.489 5.300 12.733 1.00 44.21 H new ATOM 0 HA LEU A 77 -3.246 3.772 14.296 1.00 51.51 H new ATOM 0 HB2 LEU A 77 -1.985 3.235 11.571 1.00 61.42 H new ATOM 0 HB3 LEU A 77 -3.317 2.310 12.237 1.00 61.42 H new ATOM 0 HG LEU A 77 -3.465 5.299 11.735 1.00 51.00 H new ATOM 0 HD11 LEU A 77 -4.734 4.598 9.668 1.00 35.35 H new ATOM 0 HD12 LEU A 77 -3.068 3.973 9.630 1.00 35.35 H new ATOM 0 HD13 LEU A 77 -4.413 2.894 10.069 1.00 35.35 H new ATOM 0 HD21 LEU A 77 -5.900 4.939 11.804 1.00 65.01 H new ATOM 0 HD22 LEU A 77 -5.637 3.216 12.163 1.00 65.01 H new ATOM 0 HD23 LEU A 77 -5.130 4.456 13.334 1.00 65.01 H new ATOM 1256 N ASN A 78 -0.248 2.507 13.654 1.00 43.30 N ATOM 1257 CA ASN A 78 0.829 1.586 14.013 1.00 32.43 C ATOM 1258 C ASN A 78 0.528 0.112 13.673 1.00 2.12 C ATOM 1259 O ASN A 78 1.298 -0.784 14.017 1.00 32.34 O ATOM 1260 CB ASN A 78 1.215 1.845 15.481 1.00 12.14 C ATOM 1261 CG ASN A 78 2.550 1.231 15.855 1.00 50.41 C ATOM 1262 OD1 ASN A 78 3.427 1.055 15.013 1.00 10.35 O ATOM 1263 ND2 ASN A 78 2.761 0.960 17.128 1.00 23.10 N ATOM 0 H ASN A 78 0.060 3.206 12.978 1.00 43.30 H new ATOM 0 HA ASN A 78 1.700 1.787 13.390 1.00 32.43 H new ATOM 0 HB2 ASN A 78 1.252 2.920 15.658 1.00 12.14 H new ATOM 0 HB3 ASN A 78 0.440 1.442 16.132 1.00 12.14 H new ATOM 0 HD21 ASN A 78 3.666 0.597 17.429 1.00 23.10 H new ATOM 0 HD22 ASN A 78 2.020 1.113 17.812 1.00 23.10 H new ATOM 1270 N GLU A 79 -0.570 -0.154 12.962 1.00 13.32 N ATOM 1271 CA GLU A 79 -0.929 -1.480 12.476 1.00 54.33 C ATOM 1272 C GLU A 79 0.092 -1.965 11.439 1.00 5.03 C ATOM 1273 O GLU A 79 0.676 -1.138 10.740 1.00 14.12 O ATOM 1274 CB GLU A 79 -2.312 -1.439 11.801 1.00 74.12 C ATOM 1275 CG GLU A 79 -3.472 -1.200 12.771 1.00 74.53 C ATOM 1276 CD GLU A 79 -3.538 -2.222 13.910 1.00 22.54 C ATOM 1277 OE1 GLU A 79 -3.474 -3.444 13.647 1.00 31.15 O ATOM 1278 OE2 GLU A 79 -3.667 -1.785 15.080 1.00 75.33 O ATOM 0 H GLU A 79 -1.246 0.565 12.705 1.00 13.32 H new ATOM 0 HA GLU A 79 -0.944 -2.158 13.329 1.00 54.33 H new ATOM 0 HB2 GLU A 79 -2.314 -0.651 11.048 1.00 74.12 H new ATOM 0 HB3 GLU A 79 -2.478 -2.381 11.278 1.00 74.12 H new ATOM 0 HG2 GLU A 79 -3.380 -0.200 13.196 1.00 74.53 H new ATOM 0 HG3 GLU A 79 -4.410 -1.225 12.216 1.00 74.53 H new ATOM 1285 N PRO A 80 0.264 -3.287 11.277 1.00 12.24 N ATOM 1286 CA PRO A 80 0.940 -3.873 10.126 1.00 14.20 C ATOM 1287 C PRO A 80 0.127 -3.617 8.853 1.00 24.22 C ATOM 1288 O PRO A 80 -1.081 -3.876 8.833 1.00 73.33 O ATOM 1289 CB PRO A 80 1.041 -5.373 10.427 1.00 53.12 C ATOM 1290 CG PRO A 80 -0.081 -5.633 11.427 1.00 74.34 C ATOM 1291 CD PRO A 80 -0.292 -4.312 12.143 1.00 62.22 C ATOM 0 HA PRO A 80 1.926 -3.438 9.961 1.00 14.20 H new ATOM 0 HB2 PRO A 80 0.915 -5.969 9.523 1.00 53.12 H new ATOM 0 HB3 PRO A 80 2.014 -5.630 10.845 1.00 53.12 H new ATOM 0 HG2 PRO A 80 -0.991 -5.957 10.922 1.00 74.34 H new ATOM 0 HG3 PRO A 80 0.192 -6.422 12.128 1.00 74.34 H new ATOM 0 HD2 PRO A 80 -1.352 -4.134 12.326 1.00 62.22 H new ATOM 0 HD3 PRO A 80 0.204 -4.312 13.114 1.00 62.22 H new ATOM 1299 N LEU A 81 0.782 -3.127 7.798 1.00 33.30 N ATOM 1300 CA LEU A 81 0.178 -2.908 6.497 1.00 55.53 C ATOM 1301 C LEU A 81 0.632 -3.974 5.515 1.00 13.51 C ATOM 1302 O LEU A 81 1.642 -4.651 5.715 1.00 11.03 O ATOM 1303 CB LEU A 81 0.568 -1.533 5.924 1.00 5.42 C ATOM 1304 CG LEU A 81 0.453 -0.311 6.846 1.00 53.24 C ATOM 1305 CD1 LEU A 81 -0.819 -0.275 7.694 1.00 3.00 C ATOM 1306 CD2 LEU A 81 1.685 -0.106 7.714 1.00 3.35 C ATOM 0 H LEU A 81 1.768 -2.868 7.833 1.00 33.30 H new ATOM 0 HA LEU A 81 -0.903 -2.953 6.633 1.00 55.53 H new ATOM 0 HB2 LEU A 81 1.600 -1.595 5.579 1.00 5.42 H new ATOM 0 HB3 LEU A 81 -0.051 -1.349 5.046 1.00 5.42 H new ATOM 0 HG LEU A 81 0.383 0.529 6.155 1.00 53.24 H new ATOM 0 HD11 LEU A 81 -0.817 0.621 8.315 1.00 3.00 H new ATOM 0 HD12 LEU A 81 -1.692 -0.262 7.041 1.00 3.00 H new ATOM 0 HD13 LEU A 81 -0.856 -1.158 8.332 1.00 3.00 H new ATOM 0 HD21 LEU A 81 1.544 0.772 8.344 1.00 3.35 H new ATOM 0 HD22 LEU A 81 1.837 -0.983 8.343 1.00 3.35 H new ATOM 0 HD23 LEU A 81 2.558 0.040 7.078 1.00 3.35 H new ATOM 1318 N VAL A 82 -0.065 -4.012 4.390 1.00 13.24 N ATOM 1319 CA VAL A 82 0.315 -4.709 3.170 1.00 14.14 C ATOM 1320 C VAL A 82 -0.026 -3.721 2.048 1.00 45.35 C ATOM 1321 O VAL A 82 -1.183 -3.317 1.917 1.00 51.44 O ATOM 1322 CB VAL A 82 -0.389 -6.096 3.046 1.00 3.54 C ATOM 1323 CG1 VAL A 82 0.187 -6.918 1.888 1.00 25.43 C ATOM 1324 CG2 VAL A 82 -0.389 -6.963 4.315 1.00 54.52 C ATOM 0 H VAL A 82 -0.960 -3.531 4.298 1.00 13.24 H new ATOM 0 HA VAL A 82 1.372 -4.974 3.139 1.00 14.14 H new ATOM 0 HB VAL A 82 -1.429 -5.830 2.858 1.00 3.54 H new ATOM 0 HG11 VAL A 82 -0.327 -7.877 1.832 1.00 25.43 H new ATOM 0 HG12 VAL A 82 0.047 -6.376 0.953 1.00 25.43 H new ATOM 0 HG13 VAL A 82 1.251 -7.086 2.055 1.00 25.43 H new ATOM 0 HG21 VAL A 82 -0.904 -7.902 4.114 1.00 54.52 H new ATOM 0 HG22 VAL A 82 0.638 -7.169 4.615 1.00 54.52 H new ATOM 0 HG23 VAL A 82 -0.901 -6.433 5.118 1.00 54.52 H new ATOM 1334 N THR A 83 0.957 -3.266 1.266 1.00 24.42 N ATOM 1335 CA THR A 83 0.727 -2.361 0.137 1.00 43.40 C ATOM 1336 C THR A 83 1.907 -2.421 -0.854 1.00 33.14 C ATOM 1337 O THR A 83 2.838 -3.218 -0.698 1.00 24.21 O ATOM 1338 CB THR A 83 0.406 -0.928 0.644 1.00 23.11 C ATOM 1339 OG1 THR A 83 -0.045 -0.108 -0.416 1.00 65.43 O ATOM 1340 CG2 THR A 83 1.586 -0.237 1.330 1.00 41.22 C ATOM 0 H THR A 83 1.937 -3.516 1.399 1.00 24.42 H new ATOM 0 HA THR A 83 -0.151 -2.687 -0.420 1.00 43.40 H new ATOM 0 HB THR A 83 -0.378 -1.058 1.390 1.00 23.11 H new ATOM 0 HG1 THR A 83 -0.861 0.361 -0.143 1.00 65.43 H new ATOM 0 HG21 THR A 83 1.285 0.758 1.656 1.00 41.22 H new ATOM 0 HG22 THR A 83 1.899 -0.823 2.194 1.00 41.22 H new ATOM 0 HG23 THR A 83 2.416 -0.153 0.629 1.00 41.22 H new ATOM 1348 N MET A 84 1.854 -1.590 -1.894 1.00 34.12 N ATOM 1349 CA MET A 84 2.922 -1.298 -2.840 1.00 70.22 C ATOM 1350 C MET A 84 3.632 -0.006 -2.389 1.00 75.22 C ATOM 1351 O MET A 84 3.078 0.750 -1.586 1.00 3.04 O ATOM 1352 CB MET A 84 2.357 -1.107 -4.261 1.00 45.01 C ATOM 1353 CG MET A 84 1.156 -1.975 -4.637 1.00 75.50 C ATOM 1354 SD MET A 84 -0.422 -1.070 -4.557 1.00 3.21 S ATOM 1355 CE MET A 84 -1.510 -2.314 -3.820 1.00 4.24 C ATOM 0 H MET A 84 1.004 -1.069 -2.110 1.00 34.12 H new ATOM 0 HA MET A 84 3.623 -2.133 -2.862 1.00 70.22 H new ATOM 0 HB2 MET A 84 2.073 -0.061 -4.378 1.00 45.01 H new ATOM 0 HB3 MET A 84 3.157 -1.302 -4.976 1.00 45.01 H new ATOM 0 HG2 MET A 84 1.296 -2.363 -5.646 1.00 75.50 H new ATOM 0 HG3 MET A 84 1.111 -2.834 -3.968 1.00 75.50 H new ATOM 0 HE1 MET A 84 -2.513 -1.901 -3.710 1.00 4.24 H new ATOM 0 HE2 MET A 84 -1.548 -3.192 -4.465 1.00 4.24 H new ATOM 0 HE3 MET A 84 -1.126 -2.599 -2.841 1.00 4.24 H new ATOM 1365 N PRO A 85 4.837 0.304 -2.894 1.00 22.32 N ATOM 1366 CA PRO A 85 5.609 1.436 -2.392 1.00 64.03 C ATOM 1367 C PRO A 85 5.076 2.785 -2.912 1.00 64.25 C ATOM 1368 O PRO A 85 5.402 3.177 -4.026 1.00 71.10 O ATOM 1369 CB PRO A 85 7.055 1.141 -2.808 1.00 61.31 C ATOM 1370 CG PRO A 85 6.919 0.277 -4.062 1.00 54.54 C ATOM 1371 CD PRO A 85 5.603 -0.476 -3.863 1.00 12.44 C ATOM 0 HA PRO A 85 5.532 1.541 -1.310 1.00 64.03 H new ATOM 0 HB2 PRO A 85 7.604 2.059 -3.015 1.00 61.31 H new ATOM 0 HB3 PRO A 85 7.596 0.617 -2.021 1.00 61.31 H new ATOM 0 HG2 PRO A 85 6.895 0.887 -4.965 1.00 54.54 H new ATOM 0 HG3 PRO A 85 7.759 -0.410 -4.164 1.00 54.54 H new ATOM 0 HD2 PRO A 85 5.061 -0.570 -4.804 1.00 12.44 H new ATOM 0 HD3 PRO A 85 5.783 -1.486 -3.496 1.00 12.44 H new ATOM 1379 N ILE A 86 4.376 3.561 -2.077 1.00 2.42 N ATOM 1380 CA ILE A 86 3.560 4.738 -2.435 1.00 40.11 C ATOM 1381 C ILE A 86 4.241 5.670 -3.437 1.00 12.24 C ATOM 1382 O ILE A 86 3.715 5.917 -4.521 1.00 62.21 O ATOM 1383 CB ILE A 86 3.197 5.534 -1.153 1.00 12.24 C ATOM 1384 CG1 ILE A 86 2.464 4.613 -0.155 1.00 51.22 C ATOM 1385 CG2 ILE A 86 2.426 6.845 -1.432 1.00 43.32 C ATOM 1386 CD1 ILE A 86 1.796 5.345 1.006 1.00 33.24 C ATOM 0 H ILE A 86 4.360 3.378 -1.074 1.00 2.42 H new ATOM 0 HA ILE A 86 2.662 4.356 -2.920 1.00 40.11 H new ATOM 0 HB ILE A 86 4.131 5.865 -0.699 1.00 12.24 H new ATOM 0 HG12 ILE A 86 1.706 4.044 -0.694 1.00 51.22 H new ATOM 0 HG13 ILE A 86 3.177 3.893 0.247 1.00 51.22 H new ATOM 0 HG21 ILE A 86 2.207 7.346 -0.489 1.00 43.32 H new ATOM 0 HG22 ILE A 86 3.034 7.498 -2.058 1.00 43.32 H new ATOM 0 HG23 ILE A 86 1.493 6.616 -1.946 1.00 43.32 H new ATOM 0 HD11 ILE A 86 1.305 4.622 1.658 1.00 33.24 H new ATOM 0 HD12 ILE A 86 2.549 5.892 1.573 1.00 33.24 H new ATOM 0 HD13 ILE A 86 1.056 6.045 0.617 1.00 33.24 H new ATOM 1398 N GLY A 87 5.393 6.232 -3.074 1.00 50.41 N ATOM 1399 CA GLY A 87 5.991 7.299 -3.861 1.00 40.52 C ATOM 1400 C GLY A 87 6.426 6.835 -5.254 1.00 1.40 C ATOM 1401 O GLY A 87 6.616 7.668 -6.133 1.00 2.21 O ATOM 0 H GLY A 87 5.925 5.966 -2.245 1.00 50.41 H new ATOM 0 HA2 GLY A 87 5.276 8.115 -3.962 1.00 40.52 H new ATOM 0 HA3 GLY A 87 6.855 7.697 -3.329 1.00 40.52 H new ATOM 1405 N TYR A 88 6.537 5.524 -5.498 1.00 32.05 N ATOM 1406 CA TYR A 88 6.840 4.957 -6.810 1.00 3.43 C ATOM 1407 C TYR A 88 5.740 5.267 -7.837 1.00 14.22 C ATOM 1408 O TYR A 88 5.963 5.107 -9.033 1.00 50.12 O ATOM 1409 CB TYR A 88 7.021 3.439 -6.654 1.00 12.34 C ATOM 1410 CG TYR A 88 7.467 2.709 -7.897 1.00 41.20 C ATOM 1411 CD1 TYR A 88 8.821 2.681 -8.278 1.00 63.33 C ATOM 1412 CD2 TYR A 88 6.498 2.077 -8.692 1.00 24.34 C ATOM 1413 CE1 TYR A 88 9.201 2.032 -9.469 1.00 1.11 C ATOM 1414 CE2 TYR A 88 6.855 1.478 -9.901 1.00 64.34 C ATOM 1415 CZ TYR A 88 8.208 1.472 -10.307 1.00 11.14 C ATOM 1416 OH TYR A 88 8.542 0.916 -11.497 1.00 32.44 O ATOM 0 H TYR A 88 6.416 4.817 -4.773 1.00 32.05 H new ATOM 0 HA TYR A 88 7.757 5.410 -7.187 1.00 3.43 H new ATOM 0 HB2 TYR A 88 7.750 3.256 -5.865 1.00 12.34 H new ATOM 0 HB3 TYR A 88 6.076 3.010 -6.321 1.00 12.34 H new ATOM 0 HD1 TYR A 88 9.567 3.156 -7.659 1.00 63.33 H new ATOM 0 HD2 TYR A 88 5.469 2.054 -8.366 1.00 24.34 H new ATOM 0 HE1 TYR A 88 10.244 1.962 -9.741 1.00 1.11 H new ATOM 0 HE2 TYR A 88 6.100 1.021 -10.524 1.00 64.34 H new ATOM 0 HH TYR A 88 7.735 0.580 -11.939 1.00 32.44 H new ATOM 1426 N VAL A 89 4.565 5.716 -7.392 1.00 60.42 N ATOM 1427 CA VAL A 89 3.411 5.975 -8.242 1.00 43.10 C ATOM 1428 C VAL A 89 3.023 7.442 -8.130 1.00 11.24 C ATOM 1429 O VAL A 89 3.362 8.215 -9.021 1.00 34.24 O ATOM 1430 CB VAL A 89 2.298 4.927 -8.097 1.00 74.13 C ATOM 1431 CG1 VAL A 89 2.787 3.566 -8.616 1.00 64.14 C ATOM 1432 CG2 VAL A 89 1.850 4.696 -6.667 1.00 43.41 C ATOM 0 H VAL A 89 4.390 5.913 -6.407 1.00 60.42 H new ATOM 0 HA VAL A 89 3.672 5.830 -9.290 1.00 43.10 H new ATOM 0 HB VAL A 89 1.460 5.326 -8.669 1.00 74.13 H new ATOM 0 HG11 VAL A 89 1.991 2.829 -8.509 1.00 64.14 H new ATOM 0 HG12 VAL A 89 3.061 3.655 -9.667 1.00 64.14 H new ATOM 0 HG13 VAL A 89 3.656 3.248 -8.040 1.00 64.14 H new ATOM 0 HG21 VAL A 89 1.062 3.943 -6.650 1.00 43.41 H new ATOM 0 HG22 VAL A 89 2.696 4.351 -6.072 1.00 43.41 H new ATOM 0 HG23 VAL A 89 1.469 5.628 -6.250 1.00 43.41 H new ATOM 1442 N THR A 90 2.429 7.864 -7.017 1.00 55.42 N ATOM 1443 CA THR A 90 1.916 9.216 -6.805 1.00 24.32 C ATOM 1444 C THR A 90 3.021 10.279 -6.612 1.00 22.51 C ATOM 1445 O THR A 90 2.705 11.438 -6.357 1.00 22.14 O ATOM 1446 CB THR A 90 0.893 9.133 -5.657 1.00 42.20 C ATOM 1447 OG1 THR A 90 0.070 10.271 -5.572 1.00 1.43 O ATOM 1448 CG2 THR A 90 1.517 8.824 -4.298 1.00 13.22 C ATOM 0 H THR A 90 2.286 7.255 -6.211 1.00 55.42 H new ATOM 0 HA THR A 90 1.418 9.577 -7.705 1.00 24.32 H new ATOM 0 HB THR A 90 0.264 8.282 -5.921 1.00 42.20 H new ATOM 0 HG1 THR A 90 0.381 10.948 -6.208 1.00 1.43 H new ATOM 0 HG21 THR A 90 0.735 8.781 -3.540 1.00 13.22 H new ATOM 0 HG22 THR A 90 2.031 7.864 -4.343 1.00 13.22 H new ATOM 0 HG23 THR A 90 2.231 9.606 -4.039 1.00 13.22 H new ATOM 1456 N HIS A 91 4.302 9.910 -6.737 1.00 52.24 N ATOM 1457 CA HIS A 91 5.417 10.845 -6.878 1.00 50.21 C ATOM 1458 C HIS A 91 6.338 10.435 -8.049 1.00 4.14 C ATOM 1459 O HIS A 91 7.331 11.111 -8.327 1.00 11.11 O ATOM 1460 CB HIS A 91 6.167 10.954 -5.535 1.00 10.11 C ATOM 1461 CG HIS A 91 6.902 12.259 -5.343 1.00 62.34 C ATOM 1462 ND1 HIS A 91 7.866 12.759 -6.179 1.00 72.11 N ATOM 1463 CD2 HIS A 91 6.724 13.170 -4.338 1.00 12.12 C ATOM 1464 CE1 HIS A 91 8.251 13.948 -5.708 1.00 73.14 C ATOM 1465 NE2 HIS A 91 7.630 14.224 -4.544 1.00 74.54 N ATOM 0 H HIS A 91 4.594 8.933 -6.743 1.00 52.24 H new ATOM 0 HA HIS A 91 5.037 11.836 -7.127 1.00 50.21 H new ATOM 0 HB2 HIS A 91 5.453 10.829 -4.721 1.00 10.11 H new ATOM 0 HB3 HIS A 91 6.881 10.133 -5.462 1.00 10.11 H new ATOM 0 HD1 HIS A 91 8.227 12.302 -7.016 1.00 72.11 H new ATOM 0 HD2 HIS A 91 6.013 13.093 -3.529 1.00 12.12 H new ATOM 0 HE1 HIS A 91 8.963 14.599 -6.193 1.00 73.14 H new ATOM 1473 N GLY A 92 6.046 9.335 -8.754 1.00 73.40 N ATOM 1474 CA GLY A 92 6.868 8.815 -9.841 1.00 52.31 C ATOM 1475 C GLY A 92 8.324 8.585 -9.431 1.00 25.53 C ATOM 1476 O GLY A 92 9.225 8.792 -10.253 1.00 33.43 O ATOM 0 H GLY A 92 5.213 8.774 -8.577 1.00 73.40 H new ATOM 0 HA2 GLY A 92 6.443 7.875 -10.194 1.00 52.31 H new ATOM 0 HA3 GLY A 92 6.838 9.513 -10.678 1.00 52.31 H new ATOM 1480 N PHE A 93 8.578 8.214 -8.168 1.00 15.23 N ATOM 1481 CA PHE A 93 9.936 7.946 -7.699 1.00 64.21 C ATOM 1482 C PHE A 93 10.473 6.684 -8.373 1.00 32.42 C ATOM 1483 O PHE A 93 9.703 5.787 -8.730 1.00 63.24 O ATOM 1484 CB PHE A 93 9.975 7.745 -6.178 1.00 40.55 C ATOM 1485 CG PHE A 93 9.915 8.991 -5.319 1.00 14.31 C ATOM 1486 CD1 PHE A 93 10.540 10.186 -5.717 1.00 44.22 C ATOM 1487 CD2 PHE A 93 9.296 8.929 -4.059 1.00 5.35 C ATOM 1488 CE1 PHE A 93 10.513 11.310 -4.885 1.00 55.40 C ATOM 1489 CE2 PHE A 93 9.264 10.058 -3.224 1.00 52.35 C ATOM 1490 CZ PHE A 93 9.864 11.257 -3.639 1.00 13.21 C ATOM 0 H PHE A 93 7.857 8.094 -7.456 1.00 15.23 H new ATOM 0 HA PHE A 93 10.552 8.808 -7.954 1.00 64.21 H new ATOM 0 HB2 PHE A 93 9.141 7.101 -5.900 1.00 40.55 H new ATOM 0 HB3 PHE A 93 10.890 7.206 -5.931 1.00 40.55 H new ATOM 0 HD1 PHE A 93 11.044 10.236 -6.671 1.00 44.22 H new ATOM 0 HD2 PHE A 93 8.841 8.006 -3.730 1.00 5.35 H new ATOM 0 HE1 PHE A 93 10.994 12.224 -5.202 1.00 55.40 H new ATOM 0 HE2 PHE A 93 8.777 10.003 -2.262 1.00 52.35 H new ATOM 0 HZ PHE A 93 9.827 12.132 -3.006 1.00 13.21 H new ATOM 1500 N ASN A 94 11.799 6.567 -8.464 1.00 62.43 N ATOM 1501 CA ASN A 94 12.425 5.319 -8.889 1.00 35.22 C ATOM 1502 C ASN A 94 12.286 4.248 -7.808 1.00 32.33 C ATOM 1503 O ASN A 94 11.873 4.521 -6.673 1.00 44.12 O ATOM 1504 CB ASN A 94 13.906 5.515 -9.240 1.00 51.45 C ATOM 1505 CG ASN A 94 14.123 6.385 -10.463 1.00 22.11 C ATOM 1506 OD1 ASN A 94 14.864 7.358 -10.398 1.00 60.42 O ATOM 1507 ND2 ASN A 94 13.506 6.065 -11.584 1.00 54.23 N ATOM 0 H ASN A 94 12.455 7.318 -8.250 1.00 62.43 H new ATOM 0 HA ASN A 94 11.905 4.990 -9.788 1.00 35.22 H new ATOM 0 HB2 ASN A 94 14.418 5.963 -8.388 1.00 51.45 H new ATOM 0 HB3 ASN A 94 14.364 4.541 -9.410 1.00 51.45 H new ATOM 0 HD21 ASN A 94 13.641 6.633 -12.421 1.00 54.23 H new ATOM 0 HD22 ASN A 94 12.894 5.250 -11.614 1.00 54.23 H new ATOM 1514 N LEU A 95 12.664 3.014 -8.153 1.00 45.14 N ATOM 1515 CA LEU A 95 12.475 1.850 -7.300 1.00 24.44 C ATOM 1516 C LEU A 95 13.226 1.973 -5.961 1.00 74.01 C ATOM 1517 O LEU A 95 12.741 1.423 -4.972 1.00 55.41 O ATOM 1518 CB LEU A 95 12.852 0.557 -8.065 1.00 50.53 C ATOM 1519 CG LEU A 95 12.218 -0.716 -7.446 1.00 53.22 C ATOM 1520 CD1 LEU A 95 10.752 -0.795 -7.901 1.00 43.43 C ATOM 1521 CD2 LEU A 95 12.909 -2.052 -7.807 1.00 13.13 C ATOM 0 H LEU A 95 13.114 2.799 -9.043 1.00 45.14 H new ATOM 0 HA LEU A 95 11.418 1.795 -7.041 1.00 24.44 H new ATOM 0 HB2 LEU A 95 12.532 0.648 -9.103 1.00 50.53 H new ATOM 0 HB3 LEU A 95 13.937 0.449 -8.074 1.00 50.53 H new ATOM 0 HG LEU A 95 12.332 -0.606 -6.368 1.00 53.22 H new ATOM 0 HD11 LEU A 95 10.287 -1.684 -7.476 1.00 43.43 H new ATOM 0 HD12 LEU A 95 10.217 0.092 -7.561 1.00 43.43 H new ATOM 0 HD13 LEU A 95 10.711 -0.848 -8.989 1.00 43.43 H new ATOM 0 HD21 LEU A 95 12.385 -2.875 -7.322 1.00 13.13 H new ATOM 0 HD22 LEU A 95 12.885 -2.193 -8.888 1.00 13.13 H new ATOM 0 HD23 LEU A 95 13.944 -2.030 -7.466 1.00 13.13 H new ATOM 1533 N GLU A 96 14.357 2.688 -5.898 1.00 42.30 N ATOM 1534 CA GLU A 96 15.216 2.745 -4.708 1.00 15.22 C ATOM 1535 C GLU A 96 14.791 3.896 -3.795 1.00 41.31 C ATOM 1536 O GLU A 96 14.648 3.717 -2.587 1.00 45.24 O ATOM 1537 CB GLU A 96 16.680 2.828 -5.174 1.00 40.54 C ATOM 1538 CG GLU A 96 17.733 2.840 -4.057 1.00 72.03 C ATOM 1539 CD GLU A 96 19.143 2.436 -4.531 1.00 5.31 C ATOM 1540 OE1 GLU A 96 19.472 2.546 -5.741 1.00 52.41 O ATOM 1541 OE2 GLU A 96 19.941 1.968 -3.683 1.00 23.53 O ATOM 0 H GLU A 96 14.704 3.247 -6.677 1.00 42.30 H new ATOM 0 HA GLU A 96 15.112 1.845 -4.103 1.00 15.22 H new ATOM 0 HB2 GLU A 96 16.882 1.981 -5.830 1.00 40.54 H new ATOM 0 HB3 GLU A 96 16.801 3.731 -5.773 1.00 40.54 H new ATOM 0 HG2 GLU A 96 17.778 3.839 -3.622 1.00 72.03 H new ATOM 0 HG3 GLU A 96 17.417 2.161 -3.265 1.00 72.03 H new ATOM 1548 N GLU A 97 14.483 5.047 -4.388 1.00 35.52 N ATOM 1549 CA GLU A 97 13.908 6.212 -3.728 1.00 34.33 C ATOM 1550 C GLU A 97 12.647 5.813 -2.959 1.00 31.24 C ATOM 1551 O GLU A 97 12.559 5.967 -1.737 1.00 53.01 O ATOM 1552 CB GLU A 97 13.596 7.245 -4.820 1.00 45.40 C ATOM 1553 CG GLU A 97 14.840 8.059 -5.191 1.00 2.14 C ATOM 1554 CD GLU A 97 15.143 9.135 -4.138 1.00 33.14 C ATOM 1555 OE1 GLU A 97 14.196 9.805 -3.666 1.00 24.45 O ATOM 1556 OE2 GLU A 97 16.306 9.260 -3.693 1.00 74.14 O ATOM 0 H GLU A 97 14.635 5.198 -5.385 1.00 35.52 H new ATOM 0 HA GLU A 97 14.602 6.637 -3.003 1.00 34.33 H new ATOM 0 HB2 GLU A 97 13.214 6.737 -5.706 1.00 45.40 H new ATOM 0 HB3 GLU A 97 12.810 7.916 -4.474 1.00 45.40 H new ATOM 0 HG2 GLU A 97 15.697 7.392 -5.288 1.00 2.14 H new ATOM 0 HG3 GLU A 97 14.691 8.531 -6.162 1.00 2.14 H new ATOM 1563 N ALA A 98 11.681 5.217 -3.663 1.00 13.41 N ATOM 1564 CA ALA A 98 10.420 4.816 -3.061 1.00 22.32 C ATOM 1565 C ALA A 98 10.576 3.706 -2.008 1.00 12.22 C ATOM 1566 O ALA A 98 9.611 3.435 -1.286 1.00 14.12 O ATOM 1567 CB ALA A 98 9.464 4.372 -4.163 1.00 51.12 C ATOM 0 H ALA A 98 11.756 5.003 -4.658 1.00 13.41 H new ATOM 0 HA ALA A 98 10.019 5.680 -2.531 1.00 22.32 H new ATOM 0 HB1 ALA A 98 8.515 4.069 -3.721 1.00 51.12 H new ATOM 0 HB2 ALA A 98 9.296 5.199 -4.853 1.00 51.12 H new ATOM 0 HB3 ALA A 98 9.897 3.531 -4.703 1.00 51.12 H new ATOM 1573 N ALA A 99 11.743 3.061 -1.908 1.00 42.05 N ATOM 1574 CA ALA A 99 12.052 2.107 -0.855 1.00 0.03 C ATOM 1575 C ALA A 99 12.267 2.840 0.474 1.00 25.23 C ATOM 1576 O ALA A 99 11.679 2.469 1.492 1.00 34.32 O ATOM 1577 CB ALA A 99 13.257 1.247 -1.274 1.00 3.32 C ATOM 0 H ALA A 99 12.507 3.194 -2.571 1.00 42.05 H new ATOM 0 HA ALA A 99 11.213 1.428 -0.702 1.00 0.03 H new ATOM 0 HB1 ALA A 99 13.487 0.533 -0.483 1.00 3.32 H new ATOM 0 HB2 ALA A 99 13.018 0.709 -2.191 1.00 3.32 H new ATOM 0 HB3 ALA A 99 14.121 1.890 -1.445 1.00 3.32 H new ATOM 1583 N ARG A 100 13.049 3.926 0.472 1.00 44.21 N ATOM 1584 CA ARG A 100 13.278 4.743 1.670 1.00 64.42 C ATOM 1585 C ARG A 100 11.953 5.276 2.209 1.00 54.30 C ATOM 1586 O ARG A 100 11.706 5.215 3.415 1.00 72.34 O ATOM 1587 CB ARG A 100 14.240 5.903 1.359 1.00 51.34 C ATOM 1588 CG ARG A 100 15.635 5.475 0.883 1.00 32.53 C ATOM 1589 CD ARG A 100 16.453 4.811 2.007 1.00 61.42 C ATOM 1590 NE ARG A 100 17.704 5.541 2.256 1.00 51.30 N ATOM 1591 CZ ARG A 100 18.884 5.035 2.620 1.00 23.13 C ATOM 1592 NH1 ARG A 100 19.007 3.763 2.983 1.00 42.14 N ATOM 1593 NH2 ARG A 100 19.945 5.825 2.614 1.00 2.32 N ATOM 0 H ARG A 100 13.539 4.262 -0.357 1.00 44.21 H new ATOM 0 HA ARG A 100 13.736 4.115 2.434 1.00 64.42 H new ATOM 0 HB2 ARG A 100 13.789 6.535 0.594 1.00 51.34 H new ATOM 0 HB3 ARG A 100 14.349 6.515 2.254 1.00 51.34 H new ATOM 0 HG2 ARG A 100 15.536 4.780 0.049 1.00 32.53 H new ATOM 0 HG3 ARG A 100 16.173 6.346 0.510 1.00 32.53 H new ATOM 0 HD2 ARG A 100 15.860 4.778 2.921 1.00 61.42 H new ATOM 0 HD3 ARG A 100 16.678 3.780 1.736 1.00 61.42 H new ATOM 0 HE ARG A 100 17.666 6.553 2.137 1.00 51.30 H new ATOM 0 HH11 ARG A 100 18.190 3.153 2.987 1.00 42.14 H new ATOM 0 HH12 ARG A 100 19.919 3.397 3.258 1.00 42.14 H new ATOM 0 HH21 ARG A 100 19.852 6.802 2.335 1.00 2.32 H new ATOM 0 HH22 ARG A 100 20.856 5.458 2.889 1.00 2.32 H new ATOM 1607 N CYS A 101 11.065 5.714 1.313 1.00 2.02 N ATOM 1608 CA CYS A 101 9.719 6.170 1.639 1.00 4.41 C ATOM 1609 C CYS A 101 8.840 5.149 2.357 1.00 4.40 C ATOM 1610 O CYS A 101 7.806 5.551 2.882 1.00 13.40 O ATOM 1611 CB CYS A 101 9.023 6.627 0.355 1.00 34.22 C ATOM 1612 SG CYS A 101 9.558 8.302 -0.064 1.00 0.05 S ATOM 0 H CYS A 101 11.272 5.761 0.315 1.00 2.02 H new ATOM 0 HA CYS A 101 9.848 6.988 2.348 1.00 4.41 H new ATOM 0 HB2 CYS A 101 9.260 5.944 -0.461 1.00 34.22 H new ATOM 0 HB3 CYS A 101 7.941 6.603 0.488 1.00 34.22 H new ATOM 0 HG CYS A 101 9.446 8.485 -1.346 1.00 0.05 H new ATOM 1618 N MET A 102 9.187 3.866 2.391 1.00 21.33 N ATOM 1619 CA MET A 102 8.400 2.859 3.097 1.00 71.41 C ATOM 1620 C MET A 102 9.068 2.546 4.434 1.00 55.41 C ATOM 1621 O MET A 102 8.411 2.586 5.474 1.00 24.24 O ATOM 1622 CB MET A 102 8.248 1.631 2.197 1.00 5.32 C ATOM 1623 CG MET A 102 7.386 1.936 0.964 1.00 20.02 C ATOM 1624 SD MET A 102 5.652 2.371 1.252 1.00 64.25 S ATOM 1625 CE MET A 102 4.988 0.851 1.976 1.00 41.30 C ATOM 0 H MET A 102 10.019 3.495 1.932 1.00 21.33 H new ATOM 0 HA MET A 102 7.397 3.222 3.321 1.00 71.41 H new ATOM 0 HB2 MET A 102 9.233 1.289 1.878 1.00 5.32 H new ATOM 0 HB3 MET A 102 7.797 0.817 2.765 1.00 5.32 H new ATOM 0 HG2 MET A 102 7.854 2.756 0.420 1.00 20.02 H new ATOM 0 HG3 MET A 102 7.411 1.064 0.310 1.00 20.02 H new ATOM 0 HE1 MET A 102 3.939 0.998 2.232 1.00 41.30 H new ATOM 0 HE2 MET A 102 5.075 0.037 1.257 1.00 41.30 H new ATOM 0 HE3 MET A 102 5.549 0.601 2.876 1.00 41.30 H new ATOM 1635 N ARG A 103 10.388 2.341 4.450 1.00 22.32 N ATOM 1636 CA ARG A 103 11.133 2.105 5.688 1.00 34.13 C ATOM 1637 C ARG A 103 11.110 3.317 6.632 1.00 54.45 C ATOM 1638 O ARG A 103 11.336 3.147 7.828 1.00 12.32 O ATOM 1639 CB ARG A 103 12.542 1.613 5.315 1.00 30.45 C ATOM 1640 CG ARG A 103 13.445 1.277 6.512 1.00 74.51 C ATOM 1641 CD ARG A 103 14.250 2.495 6.988 1.00 15.41 C ATOM 1642 NE ARG A 103 14.242 2.627 8.453 1.00 21.31 N ATOM 1643 CZ ARG A 103 15.253 3.050 9.221 1.00 74.10 C ATOM 1644 NH1 ARG A 103 16.409 3.442 8.700 1.00 63.42 N ATOM 1645 NH2 ARG A 103 15.087 3.055 10.537 1.00 61.42 N ATOM 0 H ARG A 103 10.967 2.334 3.610 1.00 22.32 H new ATOM 0 HA ARG A 103 10.648 1.325 6.274 1.00 34.13 H new ATOM 0 HB2 ARG A 103 12.448 0.726 4.689 1.00 30.45 H new ATOM 0 HB3 ARG A 103 13.031 2.378 4.712 1.00 30.45 H new ATOM 0 HG2 ARG A 103 12.833 0.904 7.333 1.00 74.51 H new ATOM 0 HG3 ARG A 103 14.130 0.476 6.235 1.00 74.51 H new ATOM 0 HD2 ARG A 103 15.279 2.408 6.638 1.00 15.41 H new ATOM 0 HD3 ARG A 103 13.837 3.399 6.541 1.00 15.41 H new ATOM 0 HE ARG A 103 13.379 2.370 8.932 1.00 21.31 H new ATOM 0 HH11 ARG A 103 16.544 3.426 7.689 1.00 63.42 H new ATOM 0 HH12 ARG A 103 17.162 3.760 9.310 1.00 63.42 H new ATOM 0 HH21 ARG A 103 14.205 2.741 10.941 1.00 61.42 H new ATOM 0 HH22 ARG A 103 15.842 3.373 11.145 1.00 61.42 H new ATOM 1659 N SER A 104 10.811 4.523 6.139 1.00 40.33 N ATOM 1660 CA SER A 104 10.608 5.702 6.977 1.00 15.51 C ATOM 1661 C SER A 104 9.354 5.578 7.869 1.00 31.31 C ATOM 1662 O SER A 104 9.223 6.313 8.857 1.00 11.25 O ATOM 1663 CB SER A 104 10.539 6.942 6.072 1.00 4.34 C ATOM 1664 OG SER A 104 10.720 8.125 6.823 1.00 42.14 O ATOM 0 H SER A 104 10.703 4.706 5.141 1.00 40.33 H new ATOM 0 HA SER A 104 11.450 5.796 7.663 1.00 15.51 H new ATOM 0 HB2 SER A 104 11.305 6.876 5.299 1.00 4.34 H new ATOM 0 HB3 SER A 104 9.575 6.973 5.564 1.00 4.34 H new ATOM 0 HG SER A 104 10.674 8.901 6.227 1.00 42.14 H new ATOM 1670 N LEU A 105 8.415 4.676 7.557 1.00 32.03 N ATOM 1671 CA LEU A 105 7.299 4.354 8.436 1.00 1.10 C ATOM 1672 C LEU A 105 7.808 3.424 9.532 1.00 62.40 C ATOM 1673 O LEU A 105 8.435 2.413 9.223 1.00 12.33 O ATOM 1674 CB LEU A 105 6.194 3.671 7.616 1.00 65.01 C ATOM 1675 CG LEU A 105 4.914 3.343 8.399 1.00 72.44 C ATOM 1676 CD1 LEU A 105 4.244 4.532 9.101 1.00 23.03 C ATOM 1677 CD2 LEU A 105 3.925 2.729 7.409 1.00 3.33 C ATOM 0 H LEU A 105 8.414 4.150 6.683 1.00 32.03 H new ATOM 0 HA LEU A 105 6.887 5.256 8.889 1.00 1.10 H new ATOM 0 HB2 LEU A 105 5.934 4.316 6.777 1.00 65.01 H new ATOM 0 HB3 LEU A 105 6.592 2.747 7.196 1.00 65.01 H new ATOM 0 HG LEU A 105 5.202 2.668 9.205 1.00 72.44 H new ATOM 0 HD11 LEU A 105 3.351 4.190 9.623 1.00 23.03 H new ATOM 0 HD12 LEU A 105 4.938 4.969 9.818 1.00 23.03 H new ATOM 0 HD13 LEU A 105 3.967 5.282 8.361 1.00 23.03 H new ATOM 0 HD21 LEU A 105 2.999 2.481 7.927 1.00 3.33 H new ATOM 0 HD22 LEU A 105 3.715 3.444 6.613 1.00 3.33 H new ATOM 0 HD23 LEU A 105 4.355 1.824 6.980 1.00 3.33 H new ATOM 1689 N LYS A 106 7.511 3.729 10.802 1.00 73.10 N ATOM 1690 CA LYS A 106 7.843 2.820 11.902 1.00 73.54 C ATOM 1691 C LYS A 106 7.176 1.464 11.689 1.00 63.43 C ATOM 1692 O LYS A 106 7.840 0.438 11.819 1.00 61.45 O ATOM 1693 CB LYS A 106 7.399 3.351 13.259 1.00 74.40 C ATOM 1694 CG LYS A 106 8.138 4.607 13.737 1.00 2.30 C ATOM 1695 CD LYS A 106 8.140 4.673 15.268 1.00 42.51 C ATOM 1696 CE LYS A 106 6.844 5.118 15.968 1.00 31.42 C ATOM 1697 NZ LYS A 106 5.674 4.243 15.730 1.00 51.14 N ATOM 0 H LYS A 106 7.046 4.590 11.090 1.00 73.10 H new ATOM 0 HA LYS A 106 8.929 2.728 11.902 1.00 73.54 H new ATOM 0 HB2 LYS A 106 6.332 3.570 13.215 1.00 74.40 H new ATOM 0 HB3 LYS A 106 7.533 2.564 14.002 1.00 74.40 H new ATOM 0 HG2 LYS A 106 9.163 4.598 13.365 1.00 2.30 H new ATOM 0 HG3 LYS A 106 7.659 5.497 13.329 1.00 2.30 H new ATOM 0 HD2 LYS A 106 8.402 3.685 15.646 1.00 42.51 H new ATOM 0 HD3 LYS A 106 8.936 5.352 15.573 1.00 42.51 H new ATOM 0 HE2 LYS A 106 7.028 5.170 17.041 1.00 31.42 H new ATOM 0 HE3 LYS A 106 6.598 6.127 15.637 1.00 31.42 H new ATOM 0 HZ1 LYS A 106 4.995 4.352 16.510 1.00 51.14 H new ATOM 0 HZ2 LYS A 106 5.218 4.509 14.834 1.00 51.14 H new ATOM 0 HZ3 LYS A 106 5.986 3.252 15.679 1.00 51.14 H new ATOM 1711 N ALA A 107 5.865 1.485 11.430 1.00 62.11 N ATOM 1712 CA ALA A 107 5.061 0.285 11.298 1.00 3.34 C ATOM 1713 C ALA A 107 5.586 -0.577 10.147 1.00 54.31 C ATOM 1714 O ALA A 107 6.017 -0.028 9.125 1.00 65.04 O ATOM 1715 CB ALA A 107 3.595 0.666 11.068 1.00 63.24 C ATOM 0 H ALA A 107 5.335 2.348 11.306 1.00 62.11 H new ATOM 0 HA ALA A 107 5.129 -0.297 12.217 1.00 3.34 H new ATOM 0 HB1 ALA A 107 2.995 -0.239 10.969 1.00 63.24 H new ATOM 0 HB2 ALA A 107 3.234 1.250 11.914 1.00 63.24 H new ATOM 0 HB3 ALA A 107 3.512 1.258 10.156 1.00 63.24 H new ATOM 1721 N PRO A 108 5.525 -1.910 10.284 1.00 64.32 N ATOM 1722 CA PRO A 108 5.944 -2.810 9.232 1.00 44.34 C ATOM 1723 C PRO A 108 4.930 -2.762 8.091 1.00 72.22 C ATOM 1724 O PRO A 108 3.720 -2.725 8.329 1.00 21.11 O ATOM 1725 CB PRO A 108 6.032 -4.194 9.874 1.00 43.24 C ATOM 1726 CG PRO A 108 5.019 -4.116 11.013 1.00 35.33 C ATOM 1727 CD PRO A 108 5.075 -2.654 11.448 1.00 41.34 C ATOM 0 HA PRO A 108 6.908 -2.539 8.801 1.00 44.34 H new ATOM 0 HB2 PRO A 108 5.781 -4.983 9.165 1.00 43.24 H new ATOM 0 HB3 PRO A 108 7.036 -4.404 10.242 1.00 43.24 H new ATOM 0 HG2 PRO A 108 4.020 -4.397 10.680 1.00 35.33 H new ATOM 0 HG3 PRO A 108 5.283 -4.787 11.830 1.00 35.33 H new ATOM 0 HD2 PRO A 108 4.096 -2.307 11.779 1.00 41.34 H new ATOM 0 HD3 PRO A 108 5.760 -2.521 12.285 1.00 41.34 H new ATOM 1735 N ALA A 109 5.417 -2.800 6.854 1.00 72.14 N ATOM 1736 CA ALA A 109 4.595 -2.695 5.661 1.00 33.44 C ATOM 1737 C ALA A 109 5.038 -3.793 4.706 1.00 32.52 C ATOM 1738 O ALA A 109 6.117 -3.702 4.128 1.00 3.11 O ATOM 1739 CB ALA A 109 4.746 -1.293 5.063 1.00 21.34 C ATOM 0 H ALA A 109 6.411 -2.907 6.653 1.00 72.14 H new ATOM 0 HA ALA A 109 3.536 -2.829 5.879 1.00 33.44 H new ATOM 0 HB1 ALA A 109 4.130 -1.211 4.167 1.00 21.34 H new ATOM 0 HB2 ALA A 109 4.425 -0.550 5.793 1.00 21.34 H new ATOM 0 HB3 ALA A 109 5.790 -1.119 4.803 1.00 21.34 H new ATOM 1745 N VAL A 110 4.260 -4.868 4.593 1.00 33.10 N ATOM 1746 CA VAL A 110 4.516 -5.963 3.662 1.00 1.15 C ATOM 1747 C VAL A 110 4.459 -5.401 2.252 1.00 55.10 C ATOM 1748 O VAL A 110 3.383 -5.080 1.738 1.00 12.24 O ATOM 1749 CB VAL A 110 3.487 -7.084 3.856 1.00 34.20 C ATOM 1750 CG1 VAL A 110 3.651 -8.227 2.843 1.00 45.10 C ATOM 1751 CG2 VAL A 110 3.584 -7.629 5.277 1.00 44.24 C ATOM 0 H VAL A 110 3.420 -5.004 5.156 1.00 33.10 H new ATOM 0 HA VAL A 110 5.499 -6.396 3.845 1.00 1.15 H new ATOM 0 HB VAL A 110 2.502 -6.650 3.685 1.00 34.20 H new ATOM 0 HG11 VAL A 110 2.895 -8.990 3.030 1.00 45.10 H new ATOM 0 HG12 VAL A 110 3.531 -7.837 1.832 1.00 45.10 H new ATOM 0 HG13 VAL A 110 4.643 -8.666 2.947 1.00 45.10 H new ATOM 0 HG21 VAL A 110 2.852 -8.425 5.412 1.00 44.24 H new ATOM 0 HG22 VAL A 110 4.585 -8.024 5.448 1.00 44.24 H new ATOM 0 HG23 VAL A 110 3.384 -6.828 5.988 1.00 44.24 H new ATOM 1761 N VAL A 111 5.621 -5.249 1.632 1.00 54.33 N ATOM 1762 CA VAL A 111 5.684 -4.806 0.248 1.00 64.21 C ATOM 1763 C VAL A 111 5.496 -6.026 -0.640 1.00 25.30 C ATOM 1764 O VAL A 111 6.128 -7.060 -0.416 1.00 23.12 O ATOM 1765 CB VAL A 111 6.990 -4.029 -0.031 1.00 21.43 C ATOM 1766 CG1 VAL A 111 7.080 -3.570 -1.494 1.00 24.34 C ATOM 1767 CG2 VAL A 111 7.112 -2.775 0.847 1.00 50.14 C ATOM 0 H VAL A 111 6.528 -5.425 2.064 1.00 54.33 H new ATOM 0 HA VAL A 111 4.887 -4.096 0.028 1.00 64.21 H new ATOM 0 HB VAL A 111 7.796 -4.727 0.197 1.00 21.43 H new ATOM 0 HG11 VAL A 111 8.013 -3.028 -1.648 1.00 24.34 H new ATOM 0 HG12 VAL A 111 7.053 -4.440 -2.151 1.00 24.34 H new ATOM 0 HG13 VAL A 111 6.238 -2.916 -1.723 1.00 24.34 H new ATOM 0 HG21 VAL A 111 8.045 -2.260 0.618 1.00 50.14 H new ATOM 0 HG22 VAL A 111 6.272 -2.110 0.650 1.00 50.14 H new ATOM 0 HG23 VAL A 111 7.106 -3.065 1.898 1.00 50.14 H new ATOM 1777 N SER A 112 4.612 -5.896 -1.625 1.00 1.41 N ATOM 1778 CA SER A 112 4.216 -6.954 -2.536 1.00 50.30 C ATOM 1779 C SER A 112 4.472 -6.467 -3.964 1.00 45.34 C ATOM 1780 O SER A 112 3.667 -5.721 -4.528 1.00 72.40 O ATOM 1781 CB SER A 112 2.753 -7.304 -2.276 1.00 2.40 C ATOM 1782 OG SER A 112 2.531 -7.618 -0.910 1.00 31.12 O ATOM 0 H SER A 112 4.136 -5.014 -1.814 1.00 1.41 H new ATOM 0 HA SER A 112 4.794 -7.866 -2.385 1.00 50.30 H new ATOM 0 HB2 SER A 112 2.120 -6.466 -2.566 1.00 2.40 H new ATOM 0 HB3 SER A 112 2.464 -8.152 -2.897 1.00 2.40 H new ATOM 0 HG SER A 112 2.150 -8.518 -0.839 1.00 31.12 H new ATOM 1788 N VAL A 113 5.646 -6.797 -4.501 1.00 4.53 N ATOM 1789 CA VAL A 113 6.124 -6.316 -5.795 1.00 62.03 C ATOM 1790 C VAL A 113 5.621 -7.190 -6.945 1.00 44.15 C ATOM 1791 O VAL A 113 4.856 -8.136 -6.732 1.00 1.45 O ATOM 1792 CB VAL A 113 7.658 -6.247 -5.821 1.00 3.32 C ATOM 1793 CG1 VAL A 113 8.210 -5.475 -4.610 1.00 65.02 C ATOM 1794 CG2 VAL A 113 8.366 -7.599 -5.865 1.00 72.51 C ATOM 0 H VAL A 113 6.306 -7.421 -4.037 1.00 4.53 H new ATOM 0 HA VAL A 113 5.722 -5.312 -5.932 1.00 62.03 H new ATOM 0 HB VAL A 113 7.871 -5.730 -6.757 1.00 3.32 H new ATOM 0 HG11 VAL A 113 9.298 -5.447 -4.662 1.00 65.02 H new ATOM 0 HG12 VAL A 113 7.820 -4.457 -4.619 1.00 65.02 H new ATOM 0 HG13 VAL A 113 7.904 -5.973 -3.690 1.00 65.02 H new ATOM 0 HG21 VAL A 113 9.445 -7.444 -5.881 1.00 72.51 H new ATOM 0 HG22 VAL A 113 8.096 -8.180 -4.983 1.00 72.51 H new ATOM 0 HG23 VAL A 113 8.064 -8.139 -6.762 1.00 72.51 H new ATOM 1804 N SER A 114 6.068 -6.886 -8.169 1.00 71.02 N ATOM 1805 CA SER A 114 5.713 -7.648 -9.342 1.00 51.05 C ATOM 1806 C SER A 114 6.438 -9.004 -9.420 1.00 73.55 C ATOM 1807 O SER A 114 5.891 -10.029 -9.003 1.00 42.15 O ATOM 1808 CB SER A 114 5.891 -6.773 -10.591 1.00 52.52 C ATOM 1809 OG SER A 114 7.157 -6.126 -10.594 1.00 75.52 O ATOM 0 H SER A 114 6.688 -6.099 -8.360 1.00 71.02 H new ATOM 0 HA SER A 114 4.660 -7.923 -9.277 1.00 51.05 H new ATOM 0 HB2 SER A 114 5.793 -7.388 -11.485 1.00 52.52 H new ATOM 0 HB3 SER A 114 5.098 -6.026 -10.630 1.00 52.52 H new ATOM 0 HG SER A 114 7.242 -5.578 -11.402 1.00 75.52 H new ATOM 1815 N SER A 115 7.655 -9.028 -9.967 1.00 61.42 N ATOM 1816 CA SER A 115 8.419 -10.252 -10.201 1.00 21.22 C ATOM 1817 C SER A 115 9.093 -10.722 -8.905 1.00 40.21 C ATOM 1818 O SER A 115 9.455 -9.875 -8.087 1.00 53.32 O ATOM 1819 CB SER A 115 9.511 -9.971 -11.242 1.00 71.13 C ATOM 1820 OG SER A 115 8.967 -9.540 -12.475 1.00 20.05 O ATOM 0 H SER A 115 8.144 -8.183 -10.264 1.00 61.42 H new ATOM 0 HA SER A 115 7.738 -11.026 -10.555 1.00 21.22 H new ATOM 0 HB2 SER A 115 10.190 -9.209 -10.859 1.00 71.13 H new ATOM 0 HB3 SER A 115 10.101 -10.873 -11.401 1.00 71.13 H new ATOM 0 HG SER A 115 9.693 -9.370 -13.111 1.00 20.05 H new ATOM 1826 N PRO A 116 9.410 -12.021 -8.747 1.00 72.21 N ATOM 1827 CA PRO A 116 10.247 -12.491 -7.649 1.00 12.15 C ATOM 1828 C PRO A 116 11.606 -11.797 -7.658 1.00 2.34 C ATOM 1829 O PRO A 116 12.122 -11.446 -6.601 1.00 51.11 O ATOM 1830 CB PRO A 116 10.332 -14.013 -7.786 1.00 1.52 C ATOM 1831 CG PRO A 116 9.996 -14.265 -9.254 1.00 3.22 C ATOM 1832 CD PRO A 116 9.048 -13.126 -9.616 1.00 51.44 C ATOM 0 HA PRO A 116 9.821 -12.242 -6.677 1.00 12.15 H new ATOM 0 HB2 PRO A 116 11.326 -14.383 -7.534 1.00 1.52 H new ATOM 0 HB3 PRO A 116 9.628 -14.515 -7.122 1.00 1.52 H new ATOM 0 HG2 PRO A 116 10.891 -14.253 -9.876 1.00 3.22 H new ATOM 0 HG3 PRO A 116 9.524 -15.237 -9.394 1.00 3.22 H new ATOM 0 HD2 PRO A 116 9.152 -12.849 -10.665 1.00 51.44 H new ATOM 0 HD3 PRO A 116 8.009 -13.419 -9.465 1.00 51.44 H new ATOM 1840 N ASP A 117 12.171 -11.505 -8.828 1.00 72.12 N ATOM 1841 CA ASP A 117 13.429 -10.775 -8.952 1.00 50.22 C ATOM 1842 C ASP A 117 13.371 -9.450 -8.200 1.00 14.02 C ATOM 1843 O ASP A 117 14.311 -9.080 -7.501 1.00 51.30 O ATOM 1844 CB ASP A 117 13.725 -10.424 -10.424 1.00 72.24 C ATOM 1845 CG ASP A 117 13.905 -11.576 -11.406 1.00 63.13 C ATOM 1846 OD1 ASP A 117 13.295 -12.645 -11.207 1.00 11.23 O ATOM 1847 OD2 ASP A 117 14.549 -11.341 -12.458 1.00 1.23 O ATOM 0 H ASP A 117 11.764 -11.771 -9.724 1.00 72.12 H new ATOM 0 HA ASP A 117 14.201 -11.426 -8.541 1.00 50.22 H new ATOM 0 HB2 ASP A 117 12.912 -9.797 -10.789 1.00 72.24 H new ATOM 0 HB3 ASP A 117 14.631 -9.818 -10.448 1.00 72.24 H new ATOM 1852 N ALA A 118 12.255 -8.731 -8.352 1.00 71.12 N ATOM 1853 CA ALA A 118 12.094 -7.365 -7.882 1.00 30.12 C ATOM 1854 C ALA A 118 12.019 -7.291 -6.354 1.00 62.01 C ATOM 1855 O ALA A 118 12.117 -6.192 -5.801 1.00 2.01 O ATOM 1856 CB ALA A 118 10.853 -6.755 -8.552 1.00 14.11 C ATOM 0 H ALA A 118 11.424 -9.097 -8.816 1.00 71.12 H new ATOM 0 HA ALA A 118 12.972 -6.783 -8.162 1.00 30.12 H new ATOM 0 HB1 ALA A 118 10.721 -5.729 -8.208 1.00 14.11 H new ATOM 0 HB2 ALA A 118 10.984 -6.760 -9.634 1.00 14.11 H new ATOM 0 HB3 ALA A 118 9.973 -7.342 -8.290 1.00 14.11 H new ATOM 1862 N VAL A 119 11.843 -8.435 -5.685 1.00 5.01 N ATOM 1863 CA VAL A 119 11.846 -8.564 -4.240 1.00 5.40 C ATOM 1864 C VAL A 119 13.236 -8.169 -3.765 1.00 35.12 C ATOM 1865 O VAL A 119 13.384 -7.157 -3.088 1.00 62.33 O ATOM 1866 CB VAL A 119 11.469 -10.007 -3.835 1.00 11.14 C ATOM 1867 CG1 VAL A 119 11.362 -10.191 -2.307 1.00 54.23 C ATOM 1868 CG2 VAL A 119 10.100 -10.383 -4.405 1.00 42.24 C ATOM 0 H VAL A 119 11.690 -9.324 -6.161 1.00 5.01 H new ATOM 0 HA VAL A 119 11.105 -7.915 -3.772 1.00 5.40 H new ATOM 0 HB VAL A 119 12.267 -10.637 -4.229 1.00 11.14 H new ATOM 0 HG11 VAL A 119 11.095 -11.224 -2.083 1.00 54.23 H new ATOM 0 HG12 VAL A 119 12.320 -9.955 -1.844 1.00 54.23 H new ATOM 0 HG13 VAL A 119 10.595 -9.524 -1.913 1.00 54.23 H new ATOM 0 HG21 VAL A 119 9.851 -11.402 -4.110 1.00 42.24 H new ATOM 0 HG22 VAL A 119 9.345 -9.698 -4.019 1.00 42.24 H new ATOM 0 HG23 VAL A 119 10.128 -10.317 -5.493 1.00 42.24 H new ATOM 1878 N THR A 120 14.251 -8.942 -4.143 1.00 34.22 N ATOM 1879 CA THR A 120 15.607 -8.796 -3.649 1.00 70.02 C ATOM 1880 C THR A 120 16.203 -7.434 -4.012 1.00 31.51 C ATOM 1881 O THR A 120 16.961 -6.899 -3.203 1.00 62.23 O ATOM 1882 CB THR A 120 16.417 -9.995 -4.161 1.00 35.41 C ATOM 1883 OG1 THR A 120 15.860 -11.142 -3.537 1.00 52.14 O ATOM 1884 CG2 THR A 120 17.910 -9.895 -3.847 1.00 60.42 C ATOM 0 H THR A 120 14.146 -9.702 -4.816 1.00 34.22 H new ATOM 0 HA THR A 120 15.628 -8.806 -2.559 1.00 70.02 H new ATOM 0 HB THR A 120 16.354 -10.038 -5.248 1.00 35.41 H new ATOM 0 HG1 THR A 120 16.343 -11.942 -3.833 1.00 52.14 H new ATOM 0 HG21 THR A 120 18.423 -10.774 -4.236 1.00 60.42 H new ATOM 0 HG22 THR A 120 18.321 -8.999 -4.313 1.00 60.42 H new ATOM 0 HG23 THR A 120 18.052 -9.840 -2.768 1.00 60.42 H new ATOM 1892 N THR A 121 15.833 -6.840 -5.151 1.00 33.23 N ATOM 1893 CA THR A 121 16.340 -5.531 -5.536 1.00 44.21 C ATOM 1894 C THR A 121 15.885 -4.502 -4.498 1.00 5.23 C ATOM 1895 O THR A 121 16.703 -3.867 -3.835 1.00 21.54 O ATOM 1896 CB THR A 121 15.856 -5.140 -6.945 1.00 35.02 C ATOM 1897 OG1 THR A 121 15.521 -6.242 -7.769 1.00 72.12 O ATOM 1898 CG2 THR A 121 16.889 -4.288 -7.674 1.00 55.22 C ATOM 0 H THR A 121 15.182 -7.251 -5.820 1.00 33.23 H new ATOM 0 HA THR A 121 17.429 -5.561 -5.568 1.00 44.21 H new ATOM 0 HB THR A 121 14.944 -4.569 -6.770 1.00 35.02 H new ATOM 0 HG1 THR A 121 15.222 -5.917 -8.644 1.00 72.12 H new ATOM 0 HG21 THR A 121 16.514 -4.030 -8.665 1.00 55.22 H new ATOM 0 HG22 THR A 121 17.073 -3.375 -7.107 1.00 55.22 H new ATOM 0 HG23 THR A 121 17.819 -4.848 -7.772 1.00 55.22 H new ATOM 1906 N TYR A 122 14.567 -4.380 -4.322 1.00 34.51 N ATOM 1907 CA TYR A 122 13.943 -3.450 -3.396 1.00 53.11 C ATOM 1908 C TYR A 122 14.400 -3.729 -1.968 1.00 75.25 C ATOM 1909 O TYR A 122 14.768 -2.831 -1.213 1.00 71.42 O ATOM 1910 CB TYR A 122 12.428 -3.608 -3.534 1.00 71.43 C ATOM 1911 CG TYR A 122 11.627 -2.715 -2.620 1.00 30.32 C ATOM 1912 CD1 TYR A 122 11.400 -3.098 -1.285 1.00 12.40 C ATOM 1913 CD2 TYR A 122 11.125 -1.494 -3.100 1.00 43.11 C ATOM 1914 CE1 TYR A 122 10.677 -2.263 -0.425 1.00 53.41 C ATOM 1915 CE2 TYR A 122 10.389 -0.658 -2.248 1.00 72.15 C ATOM 1916 CZ TYR A 122 10.166 -1.044 -0.911 1.00 23.43 C ATOM 1917 OH TYR A 122 9.468 -0.237 -0.080 1.00 61.15 O ATOM 0 H TYR A 122 13.891 -4.944 -4.837 1.00 34.51 H new ATOM 0 HA TYR A 122 14.232 -2.425 -3.627 1.00 53.11 H new ATOM 0 HB2 TYR A 122 12.145 -3.400 -4.566 1.00 71.43 H new ATOM 0 HB3 TYR A 122 12.163 -4.646 -3.333 1.00 71.43 H new ATOM 0 HD1 TYR A 122 11.785 -4.040 -0.923 1.00 12.40 H new ATOM 0 HD2 TYR A 122 11.306 -1.200 -4.123 1.00 43.11 H new ATOM 0 HE1 TYR A 122 10.512 -2.551 0.603 1.00 53.41 H new ATOM 0 HE2 TYR A 122 9.995 0.278 -2.615 1.00 72.15 H new ATOM 0 HH TYR A 122 9.455 -0.626 0.819 1.00 61.15 H new ATOM 1927 N ASN A 123 14.376 -5.002 -1.593 1.00 43.32 N ATOM 1928 CA ASN A 123 14.700 -5.418 -0.230 1.00 30.33 C ATOM 1929 C ASN A 123 16.188 -5.235 0.087 1.00 73.25 C ATOM 1930 O ASN A 123 16.560 -5.169 1.259 1.00 74.40 O ATOM 1931 CB ASN A 123 14.279 -6.874 0.014 1.00 11.45 C ATOM 1932 CG ASN A 123 13.794 -7.103 1.436 1.00 31.21 C ATOM 1933 OD1 ASN A 123 13.149 -6.247 2.038 1.00 12.32 O ATOM 1934 ND2 ASN A 123 13.976 -8.293 1.966 1.00 65.33 N ATOM 0 H ASN A 123 14.134 -5.771 -2.218 1.00 43.32 H new ATOM 0 HA ASN A 123 14.136 -4.772 0.443 1.00 30.33 H new ATOM 0 HB2 ASN A 123 13.487 -7.143 -0.685 1.00 11.45 H new ATOM 0 HB3 ASN A 123 15.123 -7.533 -0.190 1.00 11.45 H new ATOM 0 HD21 ASN A 123 13.581 -8.510 2.881 1.00 65.33 H new ATOM 0 HD22 ASN A 123 14.512 -8.999 1.462 1.00 65.33 H new ATOM 1941 N GLY A 124 17.027 -5.140 -0.951 1.00 23.12 N ATOM 1942 CA GLY A 124 18.409 -4.705 -0.894 1.00 43.43 C ATOM 1943 C GLY A 124 18.482 -3.191 -0.756 1.00 33.21 C ATOM 1944 O GLY A 124 19.177 -2.713 0.133 1.00 33.43 O ATOM 0 H GLY A 124 16.735 -5.379 -1.899 1.00 23.12 H new ATOM 0 HA2 GLY A 124 18.912 -5.178 -0.051 1.00 43.43 H new ATOM 0 HA3 GLY A 124 18.934 -5.020 -1.796 1.00 43.43 H new ATOM 1948 N TYR A 125 17.735 -2.428 -1.556 1.00 40.54 N ATOM 1949 CA TYR A 125 17.694 -0.969 -1.460 1.00 53.52 C ATOM 1950 C TYR A 125 17.373 -0.477 -0.050 1.00 70.14 C ATOM 1951 O TYR A 125 17.877 0.570 0.361 1.00 2.34 O ATOM 1952 CB TYR A 125 16.647 -0.402 -2.430 1.00 42.44 C ATOM 1953 CG TYR A 125 16.888 -0.589 -3.918 1.00 63.03 C ATOM 1954 CD1 TYR A 125 18.183 -0.744 -4.450 1.00 32.01 C ATOM 1955 CD2 TYR A 125 15.789 -0.563 -4.792 1.00 10.11 C ATOM 1956 CE1 TYR A 125 18.383 -0.888 -5.833 1.00 2.24 C ATOM 1957 CE2 TYR A 125 15.983 -0.703 -6.172 1.00 34.32 C ATOM 1958 CZ TYR A 125 17.276 -0.865 -6.705 1.00 31.23 C ATOM 1959 OH TYR A 125 17.436 -1.016 -8.049 1.00 23.03 O ATOM 0 H TYR A 125 17.139 -2.807 -2.292 1.00 40.54 H new ATOM 0 HA TYR A 125 18.692 -0.615 -1.721 1.00 53.52 H new ATOM 0 HB2 TYR A 125 15.685 -0.854 -2.187 1.00 42.44 H new ATOM 0 HB3 TYR A 125 16.555 0.667 -2.237 1.00 42.44 H new ATOM 0 HD1 TYR A 125 19.034 -0.752 -3.785 1.00 32.01 H new ATOM 0 HD2 TYR A 125 14.791 -0.435 -4.399 1.00 10.11 H new ATOM 0 HE1 TYR A 125 19.381 -1.016 -6.226 1.00 2.24 H new ATOM 0 HE2 TYR A 125 15.131 -0.686 -6.835 1.00 34.32 H new ATOM 0 HH TYR A 125 16.561 -0.974 -8.489 1.00 23.03 H new ATOM 1969 N LEU A 126 16.575 -1.242 0.697 1.00 3.23 N ATOM 1970 CA LEU A 126 16.315 -1.005 2.109 1.00 72.43 C ATOM 1971 C LEU A 126 17.592 -0.882 2.933 1.00 5.55 C ATOM 1972 O LEU A 126 17.643 -0.017 3.805 1.00 10.40 O ATOM 1973 CB LEU A 126 15.389 -2.081 2.669 1.00 42.43 C ATOM 1974 CG LEU A 126 13.951 -1.976 2.124 1.00 14.12 C ATOM 1975 CD1 LEU A 126 13.075 -2.724 3.107 1.00 41.34 C ATOM 1976 CD2 LEU A 126 13.386 -0.552 2.015 1.00 35.24 C ATOM 0 H LEU A 126 16.085 -2.056 0.327 1.00 3.23 H new ATOM 0 HA LEU A 126 15.813 -0.040 2.186 1.00 72.43 H new ATOM 0 HB2 LEU A 126 15.793 -3.064 2.427 1.00 42.43 H new ATOM 0 HB3 LEU A 126 15.367 -2.005 3.756 1.00 42.43 H new ATOM 0 HG LEU A 126 13.966 -2.374 1.109 1.00 14.12 H new ATOM 0 HD11 LEU A 126 12.038 -2.685 2.773 1.00 41.34 H new ATOM 0 HD12 LEU A 126 13.399 -3.763 3.165 1.00 41.34 H new ATOM 0 HD13 LEU A 126 13.157 -2.263 4.091 1.00 41.34 H new ATOM 0 HD21 LEU A 126 12.370 -0.593 1.621 1.00 35.24 H new ATOM 0 HD22 LEU A 126 13.375 -0.089 3.002 1.00 35.24 H new ATOM 0 HD23 LEU A 126 14.012 0.037 1.345 1.00 35.24 H new