USER MOD reduce.3.24.130724 H: found=0, std=0, add=1094, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1093 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 99 HIS : no HE2:sc= -1.25 K(o=-1.4,f=-3.4) USER MOD Set 1.2: A 115 TYR OH : rot 150:sc= -0.142 USER MOD Set 2.1: A 64 TYR OH : rot 34:sc= 1.1 USER MOD Set 2.2: A 81 ASN : amide:sc= -1.42! K(o=-1.7!,f=-1) USER MOD Set 2.3: A 84 HIS : no HD1:sc= -1.37! C(o=-1.7!,f=-7.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -152:sc= -0.135 (180deg=-1.04) USER MOD Single : A 10 SER OG : rot 83:sc= 0.133 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0901 K(o=-0.09,f=-2.9) USER MOD Single : A 22 TYR OH : rot 121:sc= -0.95! USER MOD Single : A 24 GLN : amide:sc= -0.159 K(o=-0.16,f=-2.3!) USER MOD Single : A 28 ASN : amide:sc= 0.0544 X(o=0.054,f=0) USER MOD Single : A 30 TYR OH : rot 130:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 78:sc= 0.882 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 171:sc=-0.00704 (180deg=-0.104) USER MOD Single : A 70 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-0.33) USER MOD Single : A 71 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.0034) USER MOD Single : A 72 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.5) USER MOD Single : A 74 HIS : no HD1:sc= -1.5! K(o=-1.5!,f=-0.14) USER MOD Single : A 75 ASN : amide:sc= -1.7! K(o=-1.7!,f=-0.75) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot -95:sc= 0.245 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 69:sc= 0.695 USER MOD Single : A 103 TYR OH : rot -70:sc= 1.23 USER MOD Single : A 104 HIS : no HD1:sc= -0.198 X(o=-0.2,f=0.039) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -1 K(o=-1,f=0) USER MOD Single : A 108 TYR OH : rot -158:sc= 0.94 USER MOD Single : A 113 ASN : amide:sc= 1.25 K(o=1.3,f=-3.1!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 51:sc= 0.394 USER MOD Single : A 121 TYR OH : rot 180:sc= -0.411 USER MOD Single : A 122 THR OG1 : rot 77:sc= 0.0237 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -0.83 K(o=-0.83,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 HIS : no HD1:sc= -0.439 X(o=-0.44,f=-0.056) USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 140 HIS : no HE2:sc= 0.373 K(o=0.37,f=-1.9!) USER MOD Single : A 141 HIS : no HD1:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 142 HIS : no HD1:sc=-0.00984 X(o=-0.0098,f=0) USER MOD Single : A 143 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.549 -8.515 -10.921 1.00 2.41 N ATOM 2 CA MET A 1 12.904 -8.037 -9.549 1.00 51.13 C ATOM 3 C MET A 1 11.882 -8.497 -8.450 1.00 23.35 C ATOM 4 O MET A 1 12.284 -9.216 -7.544 1.00 42.54 O ATOM 5 CB MET A 1 13.090 -6.487 -9.517 1.00 13.11 C ATOM 6 CG MET A 1 14.266 -5.980 -10.360 1.00 25.13 C ATOM 7 SD MET A 1 15.837 -6.677 -9.808 1.00 5.35 S ATOM 8 CE MET A 1 16.997 -5.944 -10.963 1.00 53.35 C ATOM 0 H1 MET A 1 13.415 -8.614 -11.489 1.00 2.41 H new ATOM 0 H2 MET A 1 12.071 -9.436 -10.855 1.00 2.41 H new ATOM 0 H3 MET A 1 11.914 -7.828 -11.375 1.00 2.41 H new ATOM 0 HA MET A 1 13.857 -8.508 -9.305 1.00 51.13 H new ATOM 0 HB2 MET A 1 12.173 -6.015 -9.870 1.00 13.11 H new ATOM 0 HB3 MET A 1 13.234 -6.170 -8.484 1.00 13.11 H new ATOM 0 HG2 MET A 1 14.101 -6.238 -11.406 1.00 25.13 H new ATOM 0 HG3 MET A 1 14.311 -4.892 -10.304 1.00 25.13 H new ATOM 0 HE1 MET A 1 18.005 -6.290 -10.735 1.00 53.35 H new ATOM 0 HE2 MET A 1 16.733 -6.238 -11.979 1.00 53.35 H new ATOM 0 HE3 MET A 1 16.958 -4.858 -10.878 1.00 53.35 H new ATOM 20 N PRO A 2 10.547 -8.124 -8.505 1.00 63.40 N ATOM 21 CA PRO A 2 9.620 -8.252 -7.334 1.00 35.30 C ATOM 22 C PRO A 2 8.974 -9.659 -7.118 1.00 71.25 C ATOM 23 O PRO A 2 9.242 -10.601 -7.856 1.00 23.23 O ATOM 24 CB PRO A 2 8.545 -7.205 -7.683 1.00 3.32 C ATOM 25 CG PRO A 2 8.424 -7.292 -9.175 1.00 62.30 C ATOM 26 CD PRO A 2 9.817 -7.590 -9.695 1.00 20.42 C ATOM 0 HA PRO A 2 10.152 -8.106 -6.394 1.00 35.30 H new ATOM 0 HB2 PRO A 2 7.597 -7.427 -7.192 1.00 3.32 H new ATOM 0 HB3 PRO A 2 8.843 -6.206 -7.364 1.00 3.32 H new ATOM 0 HG2 PRO A 2 7.724 -8.076 -9.464 1.00 62.30 H new ATOM 0 HG3 PRO A 2 8.045 -6.358 -9.590 1.00 62.30 H new ATOM 0 HD2 PRO A 2 9.792 -8.318 -10.506 1.00 20.42 H new ATOM 0 HD3 PRO A 2 10.296 -6.693 -10.086 1.00 20.42 H new ATOM 34 N LEU A 3 8.104 -9.751 -6.081 1.00 62.24 N ATOM 35 CA LEU A 3 7.285 -10.957 -5.768 1.00 31.41 C ATOM 36 C LEU A 3 5.957 -10.920 -6.552 1.00 52.31 C ATOM 37 O LEU A 3 5.358 -9.865 -6.684 1.00 21.44 O ATOM 38 CB LEU A 3 6.987 -11.045 -4.227 1.00 2.21 C ATOM 39 CG LEU A 3 7.990 -11.884 -3.372 1.00 74.14 C ATOM 40 CD1 LEU A 3 7.674 -11.778 -1.871 1.00 64.32 C ATOM 41 CD2 LEU A 3 7.987 -13.365 -3.811 1.00 31.24 C ATOM 0 H LEU A 3 7.947 -8.982 -5.429 1.00 62.24 H new ATOM 0 HA LEU A 3 7.853 -11.838 -6.065 1.00 31.41 H new ATOM 0 HB2 LEU A 3 6.960 -10.032 -3.826 1.00 2.21 H new ATOM 0 HB3 LEU A 3 5.990 -11.466 -4.095 1.00 2.21 H new ATOM 0 HG LEU A 3 8.984 -11.471 -3.541 1.00 74.14 H new ATOM 0 HD11 LEU A 3 8.391 -12.373 -1.305 1.00 64.32 H new ATOM 0 HD12 LEU A 3 7.741 -10.736 -1.558 1.00 64.32 H new ATOM 0 HD13 LEU A 3 6.666 -12.149 -1.684 1.00 64.32 H new ATOM 0 HD21 LEU A 3 8.694 -13.927 -3.200 1.00 31.24 H new ATOM 0 HD22 LEU A 3 6.987 -13.780 -3.684 1.00 31.24 H new ATOM 0 HD23 LEU A 3 8.278 -13.434 -4.859 1.00 31.24 H new ATOM 53 N GLU A 4 5.518 -12.075 -7.076 1.00 54.13 N ATOM 54 CA GLU A 4 4.243 -12.181 -7.839 1.00 14.13 C ATOM 55 C GLU A 4 3.445 -13.447 -7.437 1.00 21.01 C ATOM 56 O GLU A 4 4.025 -14.529 -7.275 1.00 61.32 O ATOM 57 CB GLU A 4 4.550 -12.166 -9.366 1.00 33.23 C ATOM 58 CG GLU A 4 3.322 -12.432 -10.308 1.00 40.03 C ATOM 59 CD GLU A 4 3.323 -13.813 -10.993 1.00 23.14 C ATOM 60 OE1 GLU A 4 3.935 -14.760 -10.456 1.00 25.11 O ATOM 61 OE2 GLU A 4 2.726 -13.950 -12.080 1.00 4.35 O ATOM 0 H GLU A 4 6.022 -12.957 -6.990 1.00 54.13 H new ATOM 0 HA GLU A 4 3.616 -11.323 -7.596 1.00 14.13 H new ATOM 0 HB2 GLU A 4 4.979 -11.197 -9.623 1.00 33.23 H new ATOM 0 HB3 GLU A 4 5.313 -12.917 -9.572 1.00 33.23 H new ATOM 0 HG2 GLU A 4 2.406 -12.331 -9.726 1.00 40.03 H new ATOM 0 HG3 GLU A 4 3.297 -11.660 -11.077 1.00 40.03 H new ATOM 68 N TRP A 5 2.110 -13.303 -7.274 1.00 1.15 N ATOM 69 CA TRP A 5 1.212 -14.438 -6.961 1.00 43.53 C ATOM 70 C TRP A 5 0.465 -14.956 -8.215 1.00 42.24 C ATOM 71 O TRP A 5 -0.035 -14.185 -9.038 1.00 11.53 O ATOM 72 CB TRP A 5 0.192 -14.073 -5.851 1.00 21.22 C ATOM 73 CG TRP A 5 -0.526 -15.287 -5.302 1.00 52.42 C ATOM 74 CD1 TRP A 5 0.042 -16.295 -4.578 1.00 34.12 C ATOM 75 CD2 TRP A 5 -1.914 -15.637 -5.442 1.00 1.13 C ATOM 76 NE1 TRP A 5 -0.888 -17.251 -4.289 1.00 14.42 N ATOM 77 CE2 TRP A 5 -2.097 -16.869 -4.787 1.00 34.14 C ATOM 78 CE3 TRP A 5 -3.016 -15.031 -6.052 1.00 44.33 C ATOM 79 CZ2 TRP A 5 -3.328 -17.511 -4.730 1.00 11.03 C ATOM 80 CZ3 TRP A 5 -4.243 -15.671 -5.990 1.00 60.33 C ATOM 81 CH2 TRP A 5 -4.390 -16.896 -5.329 1.00 32.44 C ATOM 0 H TRP A 5 1.629 -12.407 -7.355 1.00 1.15 H new ATOM 0 HA TRP A 5 1.853 -15.240 -6.594 1.00 43.53 H new ATOM 0 HB2 TRP A 5 0.711 -13.563 -5.039 1.00 21.22 H new ATOM 0 HB3 TRP A 5 -0.540 -13.372 -6.251 1.00 21.22 H new ATOM 0 HD1 TRP A 5 1.079 -16.331 -4.277 1.00 34.12 H new ATOM 0 HE1 TRP A 5 -0.706 -18.116 -3.780 1.00 14.42 H new ATOM 0 HE3 TRP A 5 -2.913 -14.084 -6.561 1.00 44.33 H new ATOM 0 HZ2 TRP A 5 -3.441 -18.462 -4.230 1.00 11.03 H new ATOM 0 HZ3 TRP A 5 -5.102 -15.216 -6.460 1.00 60.33 H new ATOM 0 HH2 TRP A 5 -5.363 -17.364 -5.292 1.00 32.44 H new ATOM 92 N ARG A 6 0.415 -16.287 -8.324 1.00 32.51 N ATOM 93 CA ARG A 6 -0.352 -17.029 -9.351 1.00 63.43 C ATOM 94 C ARG A 6 -1.083 -18.227 -8.703 1.00 31.44 C ATOM 95 O ARG A 6 -0.813 -18.590 -7.550 1.00 65.11 O ATOM 96 CB ARG A 6 0.569 -17.507 -10.548 1.00 64.21 C ATOM 97 CG ARG A 6 2.097 -17.400 -10.310 1.00 73.54 C ATOM 98 CD ARG A 6 2.639 -18.309 -9.185 1.00 42.41 C ATOM 99 NE ARG A 6 3.933 -17.821 -8.658 1.00 61.53 N ATOM 100 CZ ARG A 6 4.703 -18.457 -7.795 1.00 62.13 C ATOM 101 NH1 ARG A 6 4.466 -19.684 -7.445 1.00 63.42 N ATOM 102 NH2 ARG A 6 5.740 -17.868 -7.305 1.00 25.43 N ATOM 0 H ARG A 6 0.919 -16.903 -7.686 1.00 32.51 H new ATOM 0 HA ARG A 6 -1.092 -16.349 -9.773 1.00 63.43 H new ATOM 0 HB2 ARG A 6 0.328 -18.546 -10.774 1.00 64.21 H new ATOM 0 HB3 ARG A 6 0.316 -16.921 -11.432 1.00 64.21 H new ATOM 0 HG2 ARG A 6 2.614 -17.645 -11.238 1.00 73.54 H new ATOM 0 HG3 ARG A 6 2.343 -16.365 -10.073 1.00 73.54 H new ATOM 0 HD2 ARG A 6 1.912 -18.357 -8.375 1.00 42.41 H new ATOM 0 HD3 ARG A 6 2.761 -19.323 -9.565 1.00 42.41 H new ATOM 0 HE ARG A 6 4.258 -16.913 -8.991 1.00 61.53 H new ATOM 0 HH11 ARG A 6 3.668 -20.182 -7.839 1.00 63.42 H new ATOM 0 HH12 ARG A 6 5.078 -20.151 -6.776 1.00 63.42 H new ATOM 0 HH21 ARG A 6 5.964 -16.913 -7.584 1.00 25.43 H new ATOM 0 HH22 ARG A 6 6.337 -18.357 -6.638 1.00 25.43 H new ATOM 116 N ALA A 7 -1.992 -18.847 -9.471 1.00 43.43 N ATOM 117 CA ALA A 7 -2.640 -20.110 -9.065 1.00 74.34 C ATOM 118 C ALA A 7 -1.604 -21.264 -9.152 1.00 22.13 C ATOM 119 O ALA A 7 -0.902 -21.400 -10.161 1.00 73.31 O ATOM 120 CB ALA A 7 -3.869 -20.394 -9.942 1.00 73.23 C ATOM 0 H ALA A 7 -2.297 -18.496 -10.379 1.00 43.43 H new ATOM 0 HA ALA A 7 -2.989 -20.027 -8.036 1.00 74.34 H new ATOM 0 HB1 ALA A 7 -4.333 -21.329 -9.627 1.00 73.23 H new ATOM 0 HB2 ALA A 7 -4.586 -19.580 -9.838 1.00 73.23 H new ATOM 0 HB3 ALA A 7 -3.561 -20.475 -10.985 1.00 73.23 H new ATOM 126 N GLY A 8 -1.508 -22.071 -8.081 1.00 73.22 N ATOM 127 CA GLY A 8 -0.463 -23.108 -7.953 1.00 23.12 C ATOM 128 C GLY A 8 0.665 -22.710 -6.988 1.00 60.11 C ATOM 129 O GLY A 8 1.438 -23.575 -6.556 1.00 62.10 O ATOM 0 H GLY A 8 -2.145 -22.026 -7.286 1.00 73.22 H new ATOM 0 HA2 GLY A 8 -0.920 -24.035 -7.606 1.00 23.12 H new ATOM 0 HA3 GLY A 8 -0.038 -23.310 -8.936 1.00 23.12 H new ATOM 133 N ALA A 9 0.773 -21.396 -6.668 1.00 22.54 N ATOM 134 CA ALA A 9 1.688 -20.894 -5.613 1.00 53.13 C ATOM 135 C ALA A 9 1.366 -21.518 -4.234 1.00 51.13 C ATOM 136 O ALA A 9 0.195 -21.677 -3.870 1.00 31.22 O ATOM 137 CB ALA A 9 1.622 -19.357 -5.531 1.00 52.45 C ATOM 0 H ALA A 9 0.235 -20.662 -7.128 1.00 22.54 H new ATOM 0 HA ALA A 9 2.700 -21.193 -5.885 1.00 53.13 H new ATOM 0 HB1 ALA A 9 2.299 -19.005 -4.753 1.00 52.45 H new ATOM 0 HB2 ALA A 9 1.917 -18.929 -6.489 1.00 52.45 H new ATOM 0 HB3 ALA A 9 0.604 -19.049 -5.293 1.00 52.45 H new ATOM 143 N SER A 10 2.420 -21.808 -3.457 1.00 22.54 N ATOM 144 CA SER A 10 2.308 -22.551 -2.176 1.00 24.23 C ATOM 145 C SER A 10 1.908 -21.606 -1.024 1.00 72.24 C ATOM 146 O SER A 10 2.077 -20.388 -1.135 1.00 3.20 O ATOM 147 CB SER A 10 3.659 -23.240 -1.853 1.00 1.34 C ATOM 148 OG SER A 10 4.100 -24.050 -2.932 1.00 21.01 O ATOM 0 H SER A 10 3.375 -21.538 -3.691 1.00 22.54 H new ATOM 0 HA SER A 10 1.530 -23.307 -2.281 1.00 24.23 H new ATOM 0 HB2 SER A 10 4.412 -22.483 -1.634 1.00 1.34 H new ATOM 0 HB3 SER A 10 3.552 -23.852 -0.957 1.00 1.34 H new ATOM 0 HG SER A 10 4.554 -23.491 -3.596 1.00 21.01 H new ATOM 154 N SER A 11 1.384 -22.181 0.079 1.00 64.42 N ATOM 155 CA SER A 11 0.921 -21.411 1.269 1.00 50.51 C ATOM 156 C SER A 11 2.041 -20.524 1.860 1.00 61.12 C ATOM 157 O SER A 11 1.817 -19.351 2.155 1.00 22.22 O ATOM 158 CB SER A 11 0.381 -22.369 2.354 1.00 73.44 C ATOM 159 OG SER A 11 1.384 -23.276 2.793 1.00 52.52 O ATOM 0 H SER A 11 1.267 -23.190 0.177 1.00 64.42 H new ATOM 0 HA SER A 11 0.119 -20.753 0.934 1.00 50.51 H new ATOM 0 HB2 SER A 11 0.015 -21.791 3.202 1.00 73.44 H new ATOM 0 HB3 SER A 11 -0.468 -22.927 1.959 1.00 73.44 H new ATOM 0 HG SER A 11 1.012 -23.867 3.480 1.00 52.52 H new ATOM 165 N ASP A 12 3.248 -21.101 1.999 1.00 33.43 N ATOM 166 CA ASP A 12 4.450 -20.381 2.482 1.00 21.32 C ATOM 167 C ASP A 12 4.887 -19.261 1.498 1.00 34.23 C ATOM 168 O ASP A 12 5.425 -18.237 1.929 1.00 4.44 O ATOM 169 CB ASP A 12 5.610 -21.376 2.710 1.00 65.34 C ATOM 170 CG ASP A 12 5.250 -22.490 3.708 1.00 61.24 C ATOM 171 OD1 ASP A 12 4.511 -23.425 3.330 1.00 61.30 O ATOM 172 OD2 ASP A 12 5.686 -22.435 4.879 1.00 73.14 O ATOM 0 H ASP A 12 3.422 -22.082 1.780 1.00 33.43 H new ATOM 0 HA ASP A 12 4.192 -19.905 3.428 1.00 21.32 H new ATOM 0 HB2 ASP A 12 5.891 -21.825 1.757 1.00 65.34 H new ATOM 0 HB3 ASP A 12 6.482 -20.834 3.076 1.00 65.34 H new ATOM 177 N GLU A 13 4.655 -19.470 0.177 1.00 34.13 N ATOM 178 CA GLU A 13 4.907 -18.430 -0.860 1.00 63.44 C ATOM 179 C GLU A 13 3.919 -17.245 -0.702 1.00 71.02 C ATOM 180 O GLU A 13 4.316 -16.089 -0.844 1.00 21.43 O ATOM 181 CB GLU A 13 4.825 -19.016 -2.309 1.00 34.54 C ATOM 182 CG GLU A 13 5.966 -19.992 -2.683 1.00 4.11 C ATOM 183 CD GLU A 13 5.882 -20.491 -4.146 1.00 61.12 C ATOM 184 OE1 GLU A 13 6.371 -19.793 -5.068 1.00 1.34 O ATOM 185 OE2 GLU A 13 5.314 -21.578 -4.382 1.00 33.12 O ATOM 0 H GLU A 13 4.294 -20.348 -0.197 1.00 34.13 H new ATOM 0 HA GLU A 13 5.923 -18.065 -0.709 1.00 63.44 H new ATOM 0 HB2 GLU A 13 3.872 -19.533 -2.423 1.00 34.54 H new ATOM 0 HB3 GLU A 13 4.826 -18.190 -3.020 1.00 34.54 H new ATOM 0 HG2 GLU A 13 6.925 -19.497 -2.529 1.00 4.11 H new ATOM 0 HG3 GLU A 13 5.938 -20.849 -2.011 1.00 4.11 H new ATOM 192 N ILE A 14 2.636 -17.552 -0.387 1.00 51.20 N ATOM 193 CA ILE A 14 1.597 -16.519 -0.139 1.00 60.41 C ATOM 194 C ILE A 14 1.926 -15.726 1.149 1.00 75.14 C ATOM 195 O ILE A 14 1.787 -14.513 1.183 1.00 70.45 O ATOM 196 CB ILE A 14 0.146 -17.133 -0.004 1.00 53.44 C ATOM 197 CG1 ILE A 14 -0.188 -18.047 -1.225 1.00 33.42 C ATOM 198 CG2 ILE A 14 -0.922 -16.016 0.158 1.00 63.43 C ATOM 199 CD1 ILE A 14 -1.590 -18.650 -1.235 1.00 42.10 C ATOM 0 H ILE A 14 2.295 -18.509 -0.298 1.00 51.20 H new ATOM 0 HA ILE A 14 1.604 -15.859 -1.006 1.00 60.41 H new ATOM 0 HB ILE A 14 0.127 -17.748 0.896 1.00 53.44 H new ATOM 0 HG12 ILE A 14 -0.056 -17.466 -2.138 1.00 33.42 H new ATOM 0 HG13 ILE A 14 0.538 -18.860 -1.257 1.00 33.42 H new ATOM 0 HG21 ILE A 14 -1.910 -16.468 0.249 1.00 63.43 H new ATOM 0 HG22 ILE A 14 -0.706 -15.433 1.053 1.00 63.43 H new ATOM 0 HG23 ILE A 14 -0.900 -15.363 -0.714 1.00 63.43 H new ATOM 0 HD11 ILE A 14 -1.715 -19.266 -2.126 1.00 42.10 H new ATOM 0 HD12 ILE A 14 -1.728 -19.265 -0.346 1.00 42.10 H new ATOM 0 HD13 ILE A 14 -2.330 -17.850 -1.241 1.00 42.10 H new ATOM 211 N ASN A 15 2.367 -16.448 2.194 1.00 65.32 N ATOM 212 CA ASN A 15 2.760 -15.853 3.497 1.00 32.52 C ATOM 213 C ASN A 15 4.052 -15.003 3.377 1.00 54.42 C ATOM 214 O ASN A 15 4.232 -14.035 4.123 1.00 61.45 O ATOM 215 CB ASN A 15 2.923 -16.964 4.566 1.00 55.21 C ATOM 216 CG ASN A 15 1.629 -17.742 4.833 1.00 43.12 C ATOM 217 OD1 ASN A 15 0.527 -17.217 4.701 1.00 54.32 O ATOM 218 ND2 ASN A 15 1.754 -19.004 5.214 1.00 42.12 N ATOM 0 H ASN A 15 2.463 -17.463 2.165 1.00 65.32 H new ATOM 0 HA ASN A 15 1.963 -15.179 3.811 1.00 32.52 H new ATOM 0 HB2 ASN A 15 3.697 -17.660 4.242 1.00 55.21 H new ATOM 0 HB3 ASN A 15 3.268 -16.515 5.497 1.00 55.21 H new ATOM 0 HD21 ASN A 15 0.923 -19.564 5.405 1.00 42.12 H new ATOM 0 HD22 ASN A 15 2.681 -19.416 5.316 1.00 42.12 H new ATOM 225 N ALA A 16 4.948 -15.387 2.445 1.00 44.45 N ATOM 226 CA ALA A 16 6.152 -14.588 2.100 1.00 23.23 C ATOM 227 C ALA A 16 5.760 -13.299 1.333 1.00 61.44 C ATOM 228 O ALA A 16 6.382 -12.246 1.501 1.00 21.20 O ATOM 229 CB ALA A 16 7.139 -15.435 1.274 1.00 23.21 C ATOM 0 H ALA A 16 4.863 -16.252 1.911 1.00 44.45 H new ATOM 0 HA ALA A 16 6.643 -14.291 3.027 1.00 23.23 H new ATOM 0 HB1 ALA A 16 8.016 -14.836 1.029 1.00 23.21 H new ATOM 0 HB2 ALA A 16 7.445 -16.306 1.854 1.00 23.21 H new ATOM 0 HB3 ALA A 16 6.655 -15.763 0.354 1.00 23.21 H new ATOM 235 N ILE A 17 4.714 -13.406 0.491 1.00 64.41 N ATOM 236 CA ILE A 17 4.107 -12.254 -0.212 1.00 74.42 C ATOM 237 C ILE A 17 3.435 -11.290 0.797 1.00 44.05 C ATOM 238 O ILE A 17 3.632 -10.081 0.712 1.00 21.14 O ATOM 239 CB ILE A 17 3.102 -12.766 -1.326 1.00 73.13 C ATOM 240 CG1 ILE A 17 3.915 -13.390 -2.514 1.00 51.12 C ATOM 241 CG2 ILE A 17 2.130 -11.661 -1.819 1.00 60.31 C ATOM 242 CD1 ILE A 17 3.084 -14.073 -3.587 1.00 23.35 C ATOM 0 H ILE A 17 4.263 -14.296 0.277 1.00 64.41 H new ATOM 0 HA ILE A 17 4.888 -11.685 -0.716 1.00 74.42 H new ATOM 0 HB ILE A 17 2.469 -13.533 -0.878 1.00 73.13 H new ATOM 0 HG12 ILE A 17 4.504 -12.601 -2.982 1.00 51.12 H new ATOM 0 HG13 ILE A 17 4.620 -14.116 -2.108 1.00 51.12 H new ATOM 0 HG21 ILE A 17 1.467 -12.072 -2.580 1.00 60.31 H new ATOM 0 HG22 ILE A 17 1.537 -11.297 -0.980 1.00 60.31 H new ATOM 0 HG23 ILE A 17 2.702 -10.836 -2.243 1.00 60.31 H new ATOM 0 HD11 ILE A 17 3.742 -14.469 -4.360 1.00 23.35 H new ATOM 0 HD12 ILE A 17 2.515 -14.889 -3.142 1.00 23.35 H new ATOM 0 HD13 ILE A 17 2.398 -13.351 -4.030 1.00 23.35 H new ATOM 254 N ILE A 18 2.699 -11.855 1.780 1.00 13.55 N ATOM 255 CA ILE A 18 2.107 -11.092 2.910 1.00 3.24 C ATOM 256 C ILE A 18 3.209 -10.305 3.660 1.00 41.30 C ATOM 257 O ILE A 18 3.106 -9.096 3.851 1.00 12.11 O ATOM 258 CB ILE A 18 1.344 -12.060 3.911 1.00 65.52 C ATOM 259 CG1 ILE A 18 0.087 -12.691 3.222 1.00 32.42 C ATOM 260 CG2 ILE A 18 0.953 -11.347 5.237 1.00 22.31 C ATOM 261 CD1 ILE A 18 -0.663 -13.725 4.056 1.00 54.33 C ATOM 0 H ILE A 18 2.496 -12.854 1.815 1.00 13.55 H new ATOM 0 HA ILE A 18 1.384 -10.386 2.502 1.00 3.24 H new ATOM 0 HB ILE A 18 2.035 -12.861 4.173 1.00 65.52 H new ATOM 0 HG12 ILE A 18 -0.604 -11.890 2.960 1.00 32.42 H new ATOM 0 HG13 ILE A 18 0.401 -13.159 2.289 1.00 32.42 H new ATOM 0 HG21 ILE A 18 0.434 -12.050 5.889 1.00 22.31 H new ATOM 0 HG22 ILE A 18 1.853 -10.987 5.736 1.00 22.31 H new ATOM 0 HG23 ILE A 18 0.298 -10.504 5.017 1.00 22.31 H new ATOM 0 HD11 ILE A 18 -1.515 -14.100 3.490 1.00 54.33 H new ATOM 0 HD12 ILE A 18 0.005 -14.552 4.297 1.00 54.33 H new ATOM 0 HD13 ILE A 18 -1.015 -13.263 4.978 1.00 54.33 H new ATOM 273 N ARG A 19 4.283 -11.024 4.015 1.00 21.22 N ATOM 274 CA ARG A 19 5.470 -10.468 4.700 1.00 22.12 C ATOM 275 C ARG A 19 6.078 -9.270 3.924 1.00 70.11 C ATOM 276 O ARG A 19 6.272 -8.200 4.493 1.00 65.22 O ATOM 277 CB ARG A 19 6.521 -11.604 4.860 1.00 33.01 C ATOM 278 CG ARG A 19 7.898 -11.198 5.442 1.00 64.43 C ATOM 279 CD ARG A 19 7.846 -10.803 6.924 1.00 10.23 C ATOM 280 NE ARG A 19 7.258 -11.866 7.769 1.00 74.54 N ATOM 281 CZ ARG A 19 7.901 -12.616 8.639 1.00 60.00 C ATOM 282 NH1 ARG A 19 9.176 -12.483 8.832 1.00 51.45 N ATOM 283 NH2 ARG A 19 7.244 -13.486 9.328 1.00 62.44 N ATOM 0 H ARG A 19 4.358 -12.025 3.834 1.00 21.22 H new ATOM 0 HA ARG A 19 5.169 -10.089 5.677 1.00 22.12 H new ATOM 0 HB2 ARG A 19 6.094 -12.375 5.501 1.00 33.01 H new ATOM 0 HB3 ARG A 19 6.685 -12.057 3.882 1.00 33.01 H new ATOM 0 HG2 ARG A 19 8.594 -12.028 5.320 1.00 64.43 H new ATOM 0 HG3 ARG A 19 8.295 -10.362 4.866 1.00 64.43 H new ATOM 0 HD2 ARG A 19 8.854 -10.580 7.274 1.00 10.23 H new ATOM 0 HD3 ARG A 19 7.261 -9.890 7.034 1.00 10.23 H new ATOM 0 HE ARG A 19 6.257 -12.034 7.667 1.00 74.54 H new ATOM 0 HH11 ARG A 19 9.702 -11.786 8.304 1.00 51.45 H new ATOM 0 HH12 ARG A 19 9.653 -13.075 9.511 1.00 51.45 H new ATOM 0 HH21 ARG A 19 6.238 -13.587 9.196 1.00 62.44 H new ATOM 0 HH22 ARG A 19 7.731 -14.073 10.005 1.00 62.44 H new ATOM 297 N ALA A 20 6.315 -9.457 2.613 1.00 71.13 N ATOM 298 CA ALA A 20 6.978 -8.440 1.761 1.00 0.25 C ATOM 299 C ALA A 20 6.079 -7.208 1.502 1.00 72.42 C ATOM 300 O ALA A 20 6.592 -6.097 1.300 1.00 41.24 O ATOM 301 CB ALA A 20 7.427 -9.064 0.438 1.00 60.11 C ATOM 0 H ALA A 20 6.057 -10.308 2.113 1.00 71.13 H new ATOM 0 HA ALA A 20 7.853 -8.086 2.306 1.00 0.25 H new ATOM 0 HB1 ALA A 20 7.912 -8.305 -0.176 1.00 60.11 H new ATOM 0 HB2 ALA A 20 8.130 -9.873 0.637 1.00 60.11 H new ATOM 0 HB3 ALA A 20 6.560 -9.459 -0.091 1.00 60.11 H new ATOM 307 N VAL A 21 4.743 -7.421 1.497 1.00 5.24 N ATOM 308 CA VAL A 21 3.758 -6.322 1.439 1.00 11.42 C ATOM 309 C VAL A 21 3.885 -5.447 2.702 1.00 44.23 C ATOM 310 O VAL A 21 4.099 -4.252 2.601 1.00 61.45 O ATOM 311 CB VAL A 21 2.277 -6.855 1.295 1.00 2.20 C ATOM 312 CG1 VAL A 21 1.233 -5.730 1.520 1.00 1.44 C ATOM 313 CG2 VAL A 21 2.051 -7.525 -0.081 1.00 52.01 C ATOM 0 H VAL A 21 4.323 -8.350 1.533 1.00 5.24 H new ATOM 0 HA VAL A 21 3.975 -5.728 0.551 1.00 11.42 H new ATOM 0 HB VAL A 21 2.137 -7.605 2.073 1.00 2.20 H new ATOM 0 HG11 VAL A 21 0.228 -6.139 1.412 1.00 1.44 H new ATOM 0 HG12 VAL A 21 1.352 -5.319 2.522 1.00 1.44 H new ATOM 0 HG13 VAL A 21 1.384 -4.941 0.784 1.00 1.44 H new ATOM 0 HG21 VAL A 21 1.023 -7.881 -0.148 1.00 52.01 H new ATOM 0 HG22 VAL A 21 2.237 -6.800 -0.874 1.00 52.01 H new ATOM 0 HG23 VAL A 21 2.734 -8.367 -0.192 1.00 52.01 H new ATOM 323 N TYR A 22 3.812 -6.083 3.882 1.00 72.12 N ATOM 324 CA TYR A 22 3.943 -5.392 5.185 1.00 71.04 C ATOM 325 C TYR A 22 5.310 -4.666 5.338 1.00 52.32 C ATOM 326 O TYR A 22 5.368 -3.577 5.896 1.00 5.44 O ATOM 327 CB TYR A 22 3.748 -6.391 6.354 1.00 64.10 C ATOM 328 CG TYR A 22 2.293 -6.698 6.756 1.00 32.20 C ATOM 329 CD1 TYR A 22 1.510 -7.592 6.032 1.00 22.23 C ATOM 330 CD2 TYR A 22 1.715 -6.103 7.888 1.00 44.41 C ATOM 331 CE1 TYR A 22 0.219 -7.887 6.415 1.00 11.13 C ATOM 332 CE2 TYR A 22 0.422 -6.393 8.271 1.00 42.55 C ATOM 333 CZ TYR A 22 -0.319 -7.286 7.528 1.00 71.02 C ATOM 334 OH TYR A 22 -1.602 -7.576 7.903 1.00 41.34 O ATOM 0 H TYR A 22 3.661 -7.088 3.965 1.00 72.12 H new ATOM 0 HA TYR A 22 3.161 -4.634 5.217 1.00 71.04 H new ATOM 0 HB2 TYR A 22 4.234 -7.329 6.086 1.00 64.10 H new ATOM 0 HB3 TYR A 22 4.269 -6.000 7.228 1.00 64.10 H new ATOM 0 HD1 TYR A 22 1.922 -8.064 5.152 1.00 22.23 H new ATOM 0 HD2 TYR A 22 2.295 -5.403 8.472 1.00 44.41 H new ATOM 0 HE1 TYR A 22 -0.368 -8.589 5.842 1.00 11.13 H new ATOM 0 HE2 TYR A 22 -0.006 -5.924 9.145 1.00 42.55 H new ATOM 0 HH TYR A 22 -1.602 -7.941 8.812 1.00 41.34 H new ATOM 344 N ARG A 23 6.406 -5.276 4.848 1.00 5.14 N ATOM 345 CA ARG A 23 7.767 -4.701 5.020 1.00 41.42 C ATOM 346 C ARG A 23 8.009 -3.476 4.125 1.00 53.21 C ATOM 347 O ARG A 23 8.737 -2.562 4.515 1.00 41.02 O ATOM 348 CB ARG A 23 8.872 -5.771 4.830 1.00 43.44 C ATOM 349 CG ARG A 23 8.818 -6.910 5.878 1.00 41.42 C ATOM 350 CD ARG A 23 10.061 -7.827 5.856 1.00 1.44 C ATOM 351 NE ARG A 23 11.202 -7.230 6.579 1.00 75.11 N ATOM 352 CZ ARG A 23 12.379 -6.935 6.081 1.00 4.53 C ATOM 353 NH1 ARG A 23 12.631 -7.053 4.810 1.00 44.05 N ATOM 354 NH2 ARG A 23 13.293 -6.487 6.869 1.00 75.25 N ATOM 0 H ARG A 23 6.384 -6.157 4.335 1.00 5.14 H new ATOM 0 HA ARG A 23 7.823 -4.350 6.050 1.00 41.42 H new ATOM 0 HB2 ARG A 23 8.782 -6.201 3.833 1.00 43.44 H new ATOM 0 HB3 ARG A 23 9.847 -5.287 4.881 1.00 43.44 H new ATOM 0 HG2 ARG A 23 8.715 -6.474 6.872 1.00 41.42 H new ATOM 0 HG3 ARG A 23 7.928 -7.514 5.701 1.00 41.42 H new ATOM 0 HD2 ARG A 23 9.810 -8.788 6.305 1.00 1.44 H new ATOM 0 HD3 ARG A 23 10.349 -8.023 4.823 1.00 1.44 H new ATOM 0 HE ARG A 23 11.060 -7.026 7.568 1.00 75.11 H new ATOM 0 HH11 ARG A 23 11.904 -7.382 4.174 1.00 44.05 H new ATOM 0 HH12 ARG A 23 13.555 -6.817 4.449 1.00 44.05 H new ATOM 0 HH21 ARG A 23 13.096 -6.367 7.863 1.00 75.25 H new ATOM 0 HH22 ARG A 23 14.214 -6.252 6.500 1.00 75.25 H new ATOM 368 N GLN A 24 7.430 -3.464 2.913 1.00 61.40 N ATOM 369 CA GLN A 24 7.484 -2.268 2.046 1.00 55.44 C ATOM 370 C GLN A 24 6.474 -1.182 2.502 1.00 72.41 C ATOM 371 O GLN A 24 6.828 -0.005 2.572 1.00 44.54 O ATOM 372 CB GLN A 24 7.288 -2.635 0.552 1.00 13.12 C ATOM 373 CG GLN A 24 7.501 -1.437 -0.415 1.00 3.10 C ATOM 374 CD GLN A 24 7.605 -1.826 -1.887 1.00 23.12 C ATOM 375 OE1 GLN A 24 8.097 -2.897 -2.224 1.00 41.44 O ATOM 376 NE2 GLN A 24 7.165 -0.950 -2.779 1.00 35.21 N ATOM 0 H GLN A 24 6.925 -4.255 2.513 1.00 61.40 H new ATOM 0 HA GLN A 24 8.483 -1.844 2.148 1.00 55.44 H new ATOM 0 HB2 GLN A 24 7.983 -3.432 0.288 1.00 13.12 H new ATOM 0 HB3 GLN A 24 6.282 -3.030 0.412 1.00 13.12 H new ATOM 0 HG2 GLN A 24 6.674 -0.737 -0.294 1.00 3.10 H new ATOM 0 HG3 GLN A 24 8.410 -0.910 -0.126 1.00 3.10 H new ATOM 0 HE21 GLN A 24 6.760 -0.066 -2.469 1.00 35.21 H new ATOM 0 HE22 GLN A 24 7.231 -1.159 -3.775 1.00 35.21 H new ATOM 385 N VAL A 25 5.234 -1.600 2.856 1.00 21.50 N ATOM 386 CA VAL A 25 4.120 -0.674 3.205 1.00 13.14 C ATOM 387 C VAL A 25 4.331 0.007 4.581 1.00 43.03 C ATOM 388 O VAL A 25 4.003 1.176 4.740 1.00 33.00 O ATOM 389 CB VAL A 25 2.707 -1.386 3.142 1.00 4.51 C ATOM 390 CG1 VAL A 25 1.565 -0.489 3.697 1.00 21.32 C ATOM 391 CG2 VAL A 25 2.378 -1.835 1.691 1.00 12.10 C ATOM 0 H VAL A 25 4.975 -2.585 2.909 1.00 21.50 H new ATOM 0 HA VAL A 25 4.131 0.108 2.445 1.00 13.14 H new ATOM 0 HB VAL A 25 2.771 -2.266 3.782 1.00 4.51 H new ATOM 0 HG11 VAL A 25 0.618 -1.024 3.631 1.00 21.32 H new ATOM 0 HG12 VAL A 25 1.770 -0.241 4.738 1.00 21.32 H new ATOM 0 HG13 VAL A 25 1.505 0.428 3.111 1.00 21.32 H new ATOM 0 HG21 VAL A 25 1.403 -2.321 1.673 1.00 12.10 H new ATOM 0 HG22 VAL A 25 2.361 -0.964 1.036 1.00 12.10 H new ATOM 0 HG23 VAL A 25 3.139 -2.535 1.345 1.00 12.10 H new ATOM 401 N LEU A 26 4.861 -0.714 5.577 1.00 53.25 N ATOM 402 CA LEU A 26 5.270 -0.090 6.861 1.00 64.04 C ATOM 403 C LEU A 26 6.736 0.406 6.782 1.00 73.21 C ATOM 404 O LEU A 26 6.993 1.616 6.803 1.00 73.43 O ATOM 405 CB LEU A 26 5.045 -1.043 8.077 1.00 41.24 C ATOM 406 CG LEU A 26 3.538 -1.330 8.448 1.00 71.33 C ATOM 407 CD1 LEU A 26 2.988 -2.593 7.750 1.00 74.00 C ATOM 408 CD2 LEU A 26 3.321 -1.395 9.980 1.00 41.35 C ATOM 0 H LEU A 26 5.019 -1.721 5.529 1.00 53.25 H new ATOM 0 HA LEU A 26 4.629 0.775 7.028 1.00 64.04 H new ATOM 0 HB2 LEU A 26 5.536 -1.993 7.867 1.00 41.24 H new ATOM 0 HB3 LEU A 26 5.540 -0.614 8.948 1.00 41.24 H new ATOM 0 HG LEU A 26 2.965 -0.483 8.070 1.00 71.33 H new ATOM 0 HD11 LEU A 26 1.948 -2.745 8.039 1.00 74.00 H new ATOM 0 HD12 LEU A 26 3.049 -2.467 6.669 1.00 74.00 H new ATOM 0 HD13 LEU A 26 3.578 -3.460 8.048 1.00 74.00 H new ATOM 0 HD21 LEU A 26 2.270 -1.594 10.191 1.00 41.35 H new ATOM 0 HD22 LEU A 26 3.933 -2.193 10.401 1.00 41.35 H new ATOM 0 HD23 LEU A 26 3.607 -0.444 10.429 1.00 41.35 H new ATOM 420 N GLY A 27 7.693 -0.531 6.672 1.00 21.33 N ATOM 421 CA GLY A 27 9.129 -0.185 6.581 1.00 64.25 C ATOM 422 C GLY A 27 10.000 -1.079 7.459 1.00 41.13 C ATOM 423 O GLY A 27 10.620 -2.032 6.966 1.00 74.13 O ATOM 0 H GLY A 27 7.503 -1.533 6.644 1.00 21.33 H new ATOM 0 HA2 GLY A 27 9.455 -0.270 5.544 1.00 64.25 H new ATOM 0 HA3 GLY A 27 9.269 0.855 6.875 1.00 64.25 H new ATOM 427 N ASN A 28 10.047 -0.772 8.770 1.00 55.12 N ATOM 428 CA ASN A 28 10.801 -1.577 9.761 1.00 50.03 C ATOM 429 C ASN A 28 10.008 -2.863 10.102 1.00 72.14 C ATOM 430 O ASN A 28 9.291 -2.925 11.114 1.00 42.13 O ATOM 431 CB ASN A 28 11.095 -0.727 11.029 1.00 74.40 C ATOM 432 CG ASN A 28 12.013 -1.433 12.038 1.00 60.13 C ATOM 433 OD1 ASN A 28 13.231 -1.298 11.989 1.00 14.03 O ATOM 434 ND2 ASN A 28 11.438 -2.196 12.950 1.00 2.43 N ATOM 0 H ASN A 28 9.569 0.034 9.173 1.00 55.12 H new ATOM 0 HA ASN A 28 11.760 -1.876 9.337 1.00 50.03 H new ATOM 0 HB2 ASN A 28 11.555 0.214 10.728 1.00 74.40 H new ATOM 0 HB3 ASN A 28 10.153 -0.479 11.518 1.00 74.40 H new ATOM 0 HD21 ASN A 28 12.009 -2.690 13.636 1.00 2.43 H new ATOM 0 HD22 ASN A 28 10.423 -2.291 12.969 1.00 2.43 H new ATOM 441 N ASP A 29 10.139 -3.866 9.212 1.00 34.45 N ATOM 442 CA ASP A 29 9.327 -5.095 9.212 1.00 43.12 C ATOM 443 C ASP A 29 7.812 -4.760 9.152 1.00 30.14 C ATOM 444 O ASP A 29 7.276 -4.544 8.070 1.00 55.51 O ATOM 445 CB ASP A 29 9.691 -6.037 10.398 1.00 41.14 C ATOM 446 CG ASP A 29 11.187 -6.380 10.414 1.00 14.25 C ATOM 447 OD1 ASP A 29 11.619 -7.246 9.618 1.00 62.12 O ATOM 448 OD2 ASP A 29 11.947 -5.766 11.195 1.00 52.35 O ATOM 0 H ASP A 29 10.826 -3.842 8.459 1.00 34.45 H new ATOM 0 HA ASP A 29 9.566 -5.653 8.307 1.00 43.12 H new ATOM 0 HB2 ASP A 29 9.417 -5.559 11.339 1.00 41.14 H new ATOM 0 HB3 ASP A 29 9.108 -6.955 10.325 1.00 41.14 H new ATOM 453 N TYR A 30 7.148 -4.644 10.325 1.00 62.35 N ATOM 454 CA TYR A 30 5.688 -4.389 10.414 1.00 11.43 C ATOM 455 C TYR A 30 5.201 -4.259 11.872 1.00 24.32 C ATOM 456 O TYR A 30 5.992 -4.147 12.813 1.00 21.11 O ATOM 457 CB TYR A 30 4.876 -5.511 9.687 1.00 32.42 C ATOM 458 CG TYR A 30 5.290 -6.971 10.003 1.00 51.12 C ATOM 459 CD1 TYR A 30 5.523 -7.414 11.310 1.00 63.02 C ATOM 460 CD2 TYR A 30 5.439 -7.903 8.982 1.00 14.03 C ATOM 461 CE1 TYR A 30 5.877 -8.716 11.570 1.00 15.01 C ATOM 462 CE2 TYR A 30 5.790 -9.200 9.242 1.00 45.41 C ATOM 463 CZ TYR A 30 6.008 -9.606 10.536 1.00 33.34 C ATOM 464 OH TYR A 30 6.355 -10.911 10.799 1.00 10.40 O ATOM 0 H TYR A 30 7.605 -4.724 11.233 1.00 62.35 H new ATOM 0 HA TYR A 30 5.512 -3.436 9.916 1.00 11.43 H new ATOM 0 HB2 TYR A 30 3.823 -5.391 9.941 1.00 32.42 H new ATOM 0 HB3 TYR A 30 4.964 -5.355 8.612 1.00 32.42 H new ATOM 0 HD1 TYR A 30 5.423 -6.719 12.130 1.00 63.02 H new ATOM 0 HD2 TYR A 30 5.274 -7.596 7.960 1.00 14.03 H new ATOM 0 HE1 TYR A 30 6.052 -9.037 12.586 1.00 15.01 H new ATOM 0 HE2 TYR A 30 5.896 -9.904 8.430 1.00 45.41 H new ATOM 0 HH TYR A 30 5.732 -11.514 10.341 1.00 10.40 H new ATOM 474 N VAL A 31 3.868 -4.240 12.019 1.00 43.13 N ATOM 475 CA VAL A 31 3.174 -4.500 13.283 1.00 23.44 C ATOM 476 C VAL A 31 2.397 -5.828 13.154 1.00 24.33 C ATOM 477 O VAL A 31 1.438 -5.919 12.379 1.00 53.03 O ATOM 478 CB VAL A 31 2.172 -3.346 13.651 1.00 70.52 C ATOM 479 CG1 VAL A 31 1.415 -3.669 14.966 1.00 24.51 C ATOM 480 CG2 VAL A 31 2.904 -1.983 13.725 1.00 50.34 C ATOM 0 H VAL A 31 3.233 -4.039 11.247 1.00 43.13 H new ATOM 0 HA VAL A 31 3.918 -4.557 14.077 1.00 23.44 H new ATOM 0 HB VAL A 31 1.427 -3.271 12.859 1.00 70.52 H new ATOM 0 HG11 VAL A 31 0.728 -2.856 15.199 1.00 24.51 H new ATOM 0 HG12 VAL A 31 0.853 -4.595 14.844 1.00 24.51 H new ATOM 0 HG13 VAL A 31 2.131 -3.783 15.780 1.00 24.51 H new ATOM 0 HG21 VAL A 31 2.190 -1.200 13.981 1.00 50.34 H new ATOM 0 HG22 VAL A 31 3.682 -2.029 14.487 1.00 50.34 H new ATOM 0 HG23 VAL A 31 3.356 -1.760 12.759 1.00 50.34 H new ATOM 490 N MET A 32 2.838 -6.865 13.891 1.00 11.55 N ATOM 491 CA MET A 32 2.116 -8.153 14.005 1.00 53.43 C ATOM 492 C MET A 32 2.036 -8.638 15.471 1.00 51.15 C ATOM 493 O MET A 32 2.445 -7.912 16.385 1.00 43.20 O ATOM 494 CB MET A 32 2.697 -9.245 13.048 1.00 23.41 C ATOM 495 CG MET A 32 2.222 -9.117 11.582 1.00 2.22 C ATOM 496 SD MET A 32 2.690 -10.523 10.547 1.00 31.34 S ATOM 497 CE MET A 32 1.716 -10.203 9.068 1.00 20.53 C ATOM 0 H MET A 32 3.706 -6.836 14.426 1.00 11.55 H new ATOM 0 HA MET A 32 1.092 -7.973 13.676 1.00 53.43 H new ATOM 0 HB2 MET A 32 3.785 -9.192 13.072 1.00 23.41 H new ATOM 0 HB3 MET A 32 2.417 -10.229 13.425 1.00 23.41 H new ATOM 0 HG2 MET A 32 1.137 -9.011 11.568 1.00 2.22 H new ATOM 0 HG3 MET A 32 2.637 -8.205 11.152 1.00 2.22 H new ATOM 0 HE1 MET A 32 1.899 -10.988 8.335 1.00 20.53 H new ATOM 0 HE2 MET A 32 0.657 -10.187 9.326 1.00 20.53 H new ATOM 0 HE3 MET A 32 2.001 -9.239 8.646 1.00 20.53 H new ATOM 507 N SER A 33 1.426 -9.846 15.662 1.00 43.33 N ATOM 508 CA SER A 33 1.033 -10.438 16.989 1.00 23.13 C ATOM 509 C SER A 33 -0.286 -9.828 17.546 1.00 72.52 C ATOM 510 O SER A 33 -1.087 -10.527 18.172 1.00 44.35 O ATOM 511 CB SER A 33 2.175 -10.353 18.045 1.00 52.31 C ATOM 512 OG SER A 33 1.808 -10.923 19.293 1.00 2.13 O ATOM 0 H SER A 33 1.186 -10.455 14.880 1.00 43.33 H new ATOM 0 HA SER A 33 0.848 -11.495 16.795 1.00 23.13 H new ATOM 0 HB2 SER A 33 3.058 -10.864 17.662 1.00 52.31 H new ATOM 0 HB3 SER A 33 2.451 -9.309 18.194 1.00 52.31 H new ATOM 0 HG SER A 33 2.557 -10.847 19.920 1.00 2.13 H new ATOM 518 N THR A 34 -0.505 -8.522 17.296 1.00 54.01 N ATOM 519 CA THR A 34 -1.704 -7.764 17.754 1.00 20.35 C ATOM 520 C THR A 34 -2.610 -7.356 16.555 1.00 21.45 C ATOM 521 O THR A 34 -2.205 -6.537 15.737 1.00 5.51 O ATOM 522 CB THR A 34 -1.271 -6.484 18.570 1.00 5.03 C ATOM 523 OG1 THR A 34 -2.389 -5.593 18.760 1.00 4.21 O ATOM 524 CG2 THR A 34 -0.099 -5.718 17.905 1.00 35.13 C ATOM 0 H THR A 34 0.150 -7.949 16.764 1.00 54.01 H new ATOM 0 HA THR A 34 -2.282 -8.420 18.405 1.00 20.35 H new ATOM 0 HB THR A 34 -0.922 -6.842 19.539 1.00 5.03 H new ATOM 0 HG1 THR A 34 -2.099 -4.808 19.269 1.00 4.21 H new ATOM 0 HG21 THR A 34 0.156 -4.848 18.509 1.00 35.13 H new ATOM 0 HG22 THR A 34 0.768 -6.374 17.829 1.00 35.13 H new ATOM 0 HG23 THR A 34 -0.396 -5.393 16.908 1.00 35.13 H new ATOM 532 N GLU A 35 -3.830 -7.960 16.474 1.00 41.12 N ATOM 533 CA GLU A 35 -4.861 -7.702 15.404 1.00 42.43 C ATOM 534 C GLU A 35 -4.327 -8.009 13.967 1.00 71.14 C ATOM 535 O GLU A 35 -4.667 -9.043 13.380 1.00 72.30 O ATOM 536 CB GLU A 35 -5.422 -6.250 15.494 1.00 33.13 C ATOM 537 CG GLU A 35 -6.595 -5.948 14.526 1.00 71.23 C ATOM 538 CD GLU A 35 -7.140 -4.509 14.646 1.00 33.44 C ATOM 539 OE1 GLU A 35 -7.610 -4.137 15.745 1.00 23.31 O ATOM 540 OE2 GLU A 35 -7.103 -3.748 13.654 1.00 0.33 O ATOM 0 H GLU A 35 -4.138 -8.652 17.157 1.00 41.12 H new ATOM 0 HA GLU A 35 -5.680 -8.396 15.591 1.00 42.43 H new ATOM 0 HB2 GLU A 35 -5.755 -6.066 16.515 1.00 33.13 H new ATOM 0 HB3 GLU A 35 -4.612 -5.549 15.292 1.00 33.13 H new ATOM 0 HG2 GLU A 35 -6.263 -6.118 13.502 1.00 71.23 H new ATOM 0 HG3 GLU A 35 -7.405 -6.652 14.719 1.00 71.23 H new ATOM 547 N ARG A 36 -3.492 -7.077 13.436 1.00 22.03 N ATOM 548 CA ARG A 36 -2.647 -7.222 12.207 1.00 11.54 C ATOM 549 C ARG A 36 -3.315 -7.887 10.978 1.00 4.23 C ATOM 550 O ARG A 36 -2.666 -8.627 10.238 1.00 52.10 O ATOM 551 CB ARG A 36 -1.254 -7.847 12.581 1.00 42.45 C ATOM 552 CG ARG A 36 -1.257 -9.170 13.410 1.00 55.13 C ATOM 553 CD ARG A 36 -1.524 -10.423 12.579 1.00 22.44 C ATOM 554 NE ARG A 36 -1.589 -11.641 13.409 1.00 61.51 N ATOM 555 CZ ARG A 36 -1.591 -12.874 12.963 1.00 74.40 C ATOM 556 NH1 ARG A 36 -1.535 -13.140 11.692 1.00 41.12 N ATOM 557 NH2 ARG A 36 -1.679 -13.842 13.813 1.00 52.44 N ATOM 0 H ARG A 36 -3.380 -6.160 13.868 1.00 22.03 H new ATOM 0 HA ARG A 36 -2.495 -6.207 11.839 1.00 11.54 H new ATOM 0 HB2 ARG A 36 -0.709 -8.031 11.655 1.00 42.45 H new ATOM 0 HB3 ARG A 36 -0.690 -7.101 13.140 1.00 42.45 H new ATOM 0 HG2 ARG A 36 -0.294 -9.276 13.909 1.00 55.13 H new ATOM 0 HG3 ARG A 36 -2.014 -9.096 14.191 1.00 55.13 H new ATOM 0 HD2 ARG A 36 -2.463 -10.304 12.038 1.00 22.44 H new ATOM 0 HD3 ARG A 36 -0.738 -10.536 11.833 1.00 22.44 H new ATOM 0 HE ARG A 36 -1.637 -11.512 14.420 1.00 61.51 H new ATOM 0 HH11 ARG A 36 -1.488 -12.380 11.013 1.00 41.12 H new ATOM 0 HH12 ARG A 36 -1.538 -14.109 11.373 1.00 41.12 H new ATOM 0 HH21 ARG A 36 -1.745 -13.640 14.811 1.00 52.44 H new ATOM 0 HH22 ARG A 36 -1.682 -14.808 13.487 1.00 52.44 H new ATOM 571 N LEU A 37 -4.603 -7.557 10.752 1.00 23.24 N ATOM 572 CA LEU A 37 -5.349 -7.920 9.521 1.00 73.01 C ATOM 573 C LEU A 37 -5.407 -9.451 9.266 1.00 31.33 C ATOM 574 O LEU A 37 -5.278 -9.895 8.121 1.00 0.23 O ATOM 575 CB LEU A 37 -4.731 -7.193 8.293 1.00 52.22 C ATOM 576 CG LEU A 37 -4.728 -5.640 8.332 1.00 15.35 C ATOM 577 CD1 LEU A 37 -3.852 -5.072 7.204 1.00 0.52 C ATOM 578 CD2 LEU A 37 -6.164 -5.079 8.248 1.00 10.21 C ATOM 0 H LEU A 37 -5.162 -7.027 11.421 1.00 23.24 H new ATOM 0 HA LEU A 37 -6.378 -7.593 9.670 1.00 73.01 H new ATOM 0 HB2 LEU A 37 -3.702 -7.533 8.179 1.00 52.22 H new ATOM 0 HB3 LEU A 37 -5.272 -7.510 7.402 1.00 52.22 H new ATOM 0 HG LEU A 37 -4.303 -5.327 9.286 1.00 15.35 H new ATOM 0 HD11 LEU A 37 -3.863 -3.983 7.248 1.00 0.52 H new ATOM 0 HD12 LEU A 37 -2.829 -5.430 7.322 1.00 0.52 H new ATOM 0 HD13 LEU A 37 -4.242 -5.400 6.240 1.00 0.52 H new ATOM 0 HD21 LEU A 37 -6.131 -3.990 8.277 1.00 10.21 H new ATOM 0 HD22 LEU A 37 -6.627 -5.403 7.316 1.00 10.21 H new ATOM 0 HD23 LEU A 37 -6.748 -5.447 9.091 1.00 10.21 H new ATOM 590 N THR A 38 -5.643 -10.236 10.334 1.00 4.33 N ATOM 591 CA THR A 38 -5.872 -11.711 10.241 1.00 63.31 C ATOM 592 C THR A 38 -6.974 -12.069 9.205 1.00 54.44 C ATOM 593 O THR A 38 -6.911 -13.114 8.546 1.00 3.04 O ATOM 594 CB THR A 38 -6.275 -12.311 11.631 1.00 62.41 C ATOM 595 OG1 THR A 38 -7.412 -11.600 12.155 1.00 22.20 O ATOM 596 CG2 THR A 38 -5.122 -12.245 12.643 1.00 63.41 C ATOM 0 H THR A 38 -5.683 -9.878 11.288 1.00 4.33 H new ATOM 0 HA THR A 38 -4.927 -12.144 9.912 1.00 63.31 H new ATOM 0 HB THR A 38 -6.524 -13.361 11.476 1.00 62.41 H new ATOM 0 HG1 THR A 38 -7.663 -11.979 13.023 1.00 22.20 H new ATOM 0 HG21 THR A 38 -5.446 -12.672 13.592 1.00 63.41 H new ATOM 0 HG22 THR A 38 -4.271 -12.810 12.263 1.00 63.41 H new ATOM 0 HG23 THR A 38 -4.829 -11.206 12.794 1.00 63.41 H new ATOM 604 N SER A 39 -7.979 -11.176 9.083 1.00 1.03 N ATOM 605 CA SER A 39 -9.047 -11.274 8.059 1.00 75.44 C ATOM 606 C SER A 39 -8.478 -11.147 6.622 1.00 42.42 C ATOM 607 O SER A 39 -8.727 -12.004 5.773 1.00 61.44 O ATOM 608 CB SER A 39 -10.113 -10.183 8.299 1.00 41.12 C ATOM 609 OG SER A 39 -11.109 -10.189 7.285 1.00 51.43 O ATOM 0 H SER A 39 -8.075 -10.364 9.692 1.00 1.03 H new ATOM 0 HA SER A 39 -9.504 -12.259 8.152 1.00 75.44 H new ATOM 0 HB2 SER A 39 -10.582 -10.340 9.270 1.00 41.12 H new ATOM 0 HB3 SER A 39 -9.632 -9.205 8.331 1.00 41.12 H new ATOM 0 HG SER A 39 -11.768 -9.487 7.469 1.00 51.43 H new ATOM 615 N ALA A 40 -7.686 -10.076 6.377 1.00 1.34 N ATOM 616 CA ALA A 40 -7.111 -9.773 5.036 1.00 44.35 C ATOM 617 C ALA A 40 -6.103 -10.855 4.580 1.00 60.02 C ATOM 618 O ALA A 40 -6.048 -11.204 3.393 1.00 43.30 O ATOM 619 CB ALA A 40 -6.449 -8.382 5.032 1.00 54.13 C ATOM 0 H ALA A 40 -7.427 -9.400 7.095 1.00 1.34 H new ATOM 0 HA ALA A 40 -7.935 -9.774 4.322 1.00 44.35 H new ATOM 0 HB1 ALA A 40 -6.035 -8.179 4.044 1.00 54.13 H new ATOM 0 HB2 ALA A 40 -7.193 -7.624 5.276 1.00 54.13 H new ATOM 0 HB3 ALA A 40 -5.650 -8.357 5.773 1.00 54.13 H new ATOM 625 N GLU A 41 -5.292 -11.353 5.537 1.00 64.15 N ATOM 626 CA GLU A 41 -4.392 -12.511 5.335 1.00 44.11 C ATOM 627 C GLU A 41 -5.169 -13.749 4.835 1.00 73.04 C ATOM 628 O GLU A 41 -4.797 -14.352 3.827 1.00 34.13 O ATOM 629 CB GLU A 41 -3.646 -12.851 6.657 1.00 71.12 C ATOM 630 CG GLU A 41 -2.630 -11.780 7.127 1.00 12.21 C ATOM 631 CD GLU A 41 -1.907 -12.154 8.438 1.00 72.40 C ATOM 632 OE1 GLU A 41 -1.457 -13.316 8.568 1.00 24.32 O ATOM 633 OE2 GLU A 41 -1.765 -11.293 9.328 1.00 21.53 O ATOM 0 H GLU A 41 -5.242 -10.961 6.478 1.00 64.15 H new ATOM 0 HA GLU A 41 -3.664 -12.237 4.571 1.00 44.11 H new ATOM 0 HB2 GLU A 41 -4.384 -13.001 7.445 1.00 71.12 H new ATOM 0 HB3 GLU A 41 -3.121 -13.797 6.528 1.00 71.12 H new ATOM 0 HG2 GLU A 41 -1.888 -11.625 6.343 1.00 12.21 H new ATOM 0 HG3 GLU A 41 -3.150 -10.832 7.265 1.00 12.21 H new ATOM 640 N SER A 42 -6.263 -14.102 5.545 1.00 44.33 N ATOM 641 CA SER A 42 -7.156 -15.236 5.165 1.00 11.25 C ATOM 642 C SER A 42 -7.743 -15.065 3.738 1.00 2.32 C ATOM 643 O SER A 42 -7.883 -16.044 3.000 1.00 33.32 O ATOM 644 CB SER A 42 -8.316 -15.381 6.184 1.00 14.11 C ATOM 645 OG SER A 42 -7.830 -15.611 7.495 1.00 11.31 O ATOM 0 H SER A 42 -6.557 -13.617 6.393 1.00 44.33 H new ATOM 0 HA SER A 42 -6.543 -16.137 5.174 1.00 11.25 H new ATOM 0 HB2 SER A 42 -8.925 -14.477 6.174 1.00 14.11 H new ATOM 0 HB3 SER A 42 -8.963 -16.205 5.885 1.00 14.11 H new ATOM 0 HG SER A 42 -7.522 -14.765 7.883 1.00 11.31 H new ATOM 651 N LEU A 43 -8.070 -13.809 3.367 1.00 43.21 N ATOM 652 CA LEU A 43 -8.631 -13.468 2.037 1.00 33.51 C ATOM 653 C LEU A 43 -7.601 -13.681 0.892 1.00 25.33 C ATOM 654 O LEU A 43 -7.951 -14.214 -0.159 1.00 31.14 O ATOM 655 CB LEU A 43 -9.152 -12.004 2.032 1.00 63.53 C ATOM 656 CG LEU A 43 -10.344 -11.684 2.992 1.00 41.43 C ATOM 657 CD1 LEU A 43 -10.669 -10.171 3.006 1.00 53.20 C ATOM 658 CD2 LEU A 43 -11.593 -12.527 2.639 1.00 45.40 C ATOM 0 H LEU A 43 -7.954 -13.001 3.979 1.00 43.21 H new ATOM 0 HA LEU A 43 -9.463 -14.147 1.852 1.00 33.51 H new ATOM 0 HB2 LEU A 43 -8.322 -11.346 2.288 1.00 63.53 H new ATOM 0 HB3 LEU A 43 -9.456 -11.754 1.016 1.00 63.53 H new ATOM 0 HG LEU A 43 -10.036 -11.960 4.000 1.00 41.43 H new ATOM 0 HD11 LEU A 43 -11.502 -9.984 3.683 1.00 53.20 H new ATOM 0 HD12 LEU A 43 -9.795 -9.614 3.344 1.00 53.20 H new ATOM 0 HD13 LEU A 43 -10.939 -9.848 2.001 1.00 53.20 H new ATOM 0 HD21 LEU A 43 -12.404 -12.281 3.325 1.00 45.40 H new ATOM 0 HD22 LEU A 43 -11.903 -12.308 1.617 1.00 45.40 H new ATOM 0 HD23 LEU A 43 -11.353 -13.587 2.726 1.00 45.40 H new ATOM 670 N LEU A 44 -6.336 -13.258 1.098 1.00 65.11 N ATOM 671 CA LEU A 44 -5.256 -13.448 0.086 1.00 71.11 C ATOM 672 C LEU A 44 -4.883 -14.953 -0.051 1.00 43.23 C ATOM 673 O LEU A 44 -4.716 -15.471 -1.160 1.00 21.35 O ATOM 674 CB LEU A 44 -3.993 -12.606 0.445 1.00 4.02 C ATOM 675 CG LEU A 44 -2.869 -12.580 -0.651 1.00 45.25 C ATOM 676 CD1 LEU A 44 -3.360 -11.888 -1.944 1.00 62.11 C ATOM 677 CD2 LEU A 44 -1.564 -11.934 -0.125 1.00 63.03 C ATOM 0 H LEU A 44 -6.031 -12.784 1.948 1.00 65.11 H new ATOM 0 HA LEU A 44 -5.637 -13.097 -0.873 1.00 71.11 H new ATOM 0 HB2 LEU A 44 -4.305 -11.581 0.646 1.00 4.02 H new ATOM 0 HB3 LEU A 44 -3.567 -12.997 1.369 1.00 4.02 H new ATOM 0 HG LEU A 44 -2.636 -13.616 -0.897 1.00 45.25 H new ATOM 0 HD11 LEU A 44 -2.558 -11.886 -2.683 1.00 62.11 H new ATOM 0 HD12 LEU A 44 -4.219 -12.428 -2.342 1.00 62.11 H new ATOM 0 HD13 LEU A 44 -3.649 -10.861 -1.720 1.00 62.11 H new ATOM 0 HD21 LEU A 44 -0.813 -11.936 -0.915 1.00 63.03 H new ATOM 0 HD22 LEU A 44 -1.764 -10.908 0.182 1.00 63.03 H new ATOM 0 HD23 LEU A 44 -1.195 -12.503 0.728 1.00 63.03 H new ATOM 689 N ARG A 45 -4.783 -15.631 1.105 1.00 44.01 N ATOM 690 CA ARG A 45 -4.531 -17.093 1.204 1.00 15.23 C ATOM 691 C ARG A 45 -5.683 -17.941 0.601 1.00 3.45 C ATOM 692 O ARG A 45 -5.460 -19.065 0.145 1.00 13.51 O ATOM 693 CB ARG A 45 -4.301 -17.465 2.699 1.00 34.43 C ATOM 694 CG ARG A 45 -2.938 -16.995 3.273 1.00 0.13 C ATOM 695 CD ARG A 45 -2.901 -16.974 4.818 1.00 60.21 C ATOM 696 NE ARG A 45 -3.431 -18.208 5.429 1.00 53.54 N ATOM 697 CZ ARG A 45 -3.926 -18.302 6.649 1.00 44.31 C ATOM 698 NH1 ARG A 45 -3.952 -17.278 7.456 1.00 61.54 N ATOM 699 NH2 ARG A 45 -4.392 -19.433 7.058 1.00 24.13 N ATOM 0 H ARG A 45 -4.875 -15.179 2.015 1.00 44.01 H new ATOM 0 HA ARG A 45 -3.642 -17.324 0.617 1.00 15.23 H new ATOM 0 HB2 ARG A 45 -5.103 -17.031 3.297 1.00 34.43 H new ATOM 0 HB3 ARG A 45 -4.373 -18.547 2.807 1.00 34.43 H new ATOM 0 HG2 ARG A 45 -2.151 -17.653 2.906 1.00 0.13 H new ATOM 0 HG3 ARG A 45 -2.718 -15.996 2.897 1.00 0.13 H new ATOM 0 HD2 ARG A 45 -1.873 -16.825 5.148 1.00 60.21 H new ATOM 0 HD3 ARG A 45 -3.478 -16.122 5.177 1.00 60.21 H new ATOM 0 HE ARG A 45 -3.413 -19.057 4.863 1.00 53.54 H new ATOM 0 HH11 ARG A 45 -3.584 -16.377 7.149 1.00 61.54 H new ATOM 0 HH12 ARG A 45 -4.340 -17.378 8.394 1.00 61.54 H new ATOM 0 HH21 ARG A 45 -4.376 -20.245 6.440 1.00 24.13 H new ATOM 0 HH22 ARG A 45 -4.777 -19.516 7.999 1.00 24.13 H new ATOM 713 N GLY A 46 -6.913 -17.393 0.626 1.00 13.12 N ATOM 714 CA GLY A 46 -8.088 -18.043 0.015 1.00 62.32 C ATOM 715 C GLY A 46 -8.333 -17.627 -1.444 1.00 23.54 C ATOM 716 O GLY A 46 -9.173 -18.223 -2.123 1.00 64.22 O ATOM 0 H GLY A 46 -7.119 -16.496 1.066 1.00 13.12 H new ATOM 0 HA2 GLY A 46 -7.958 -19.124 0.059 1.00 62.32 H new ATOM 0 HA3 GLY A 46 -8.973 -17.804 0.605 1.00 62.32 H new ATOM 720 N GLY A 47 -7.588 -16.605 -1.924 1.00 14.13 N ATOM 721 CA GLY A 47 -7.776 -16.050 -3.282 1.00 61.12 C ATOM 722 C GLY A 47 -9.070 -15.236 -3.454 1.00 4.25 C ATOM 723 O GLY A 47 -9.547 -15.046 -4.576 1.00 73.41 O ATOM 0 H GLY A 47 -6.850 -16.148 -1.389 1.00 14.13 H new ATOM 0 HA2 GLY A 47 -6.924 -15.414 -3.524 1.00 61.12 H new ATOM 0 HA3 GLY A 47 -7.777 -16.869 -4.001 1.00 61.12 H new ATOM 727 N GLU A 48 -9.640 -14.772 -2.330 1.00 70.31 N ATOM 728 CA GLU A 48 -10.870 -13.949 -2.304 1.00 71.01 C ATOM 729 C GLU A 48 -10.593 -12.485 -2.723 1.00 32.31 C ATOM 730 O GLU A 48 -11.461 -11.815 -3.293 1.00 73.30 O ATOM 731 CB GLU A 48 -11.480 -13.995 -0.878 1.00 41.25 C ATOM 732 CG GLU A 48 -11.797 -15.416 -0.357 1.00 23.12 C ATOM 733 CD GLU A 48 -12.933 -16.124 -1.124 1.00 24.12 C ATOM 734 OE1 GLU A 48 -12.670 -16.772 -2.164 1.00 63.14 O ATOM 735 OE2 GLU A 48 -14.099 -16.032 -0.693 1.00 71.24 O ATOM 0 H GLU A 48 -9.259 -14.957 -1.402 1.00 70.31 H new ATOM 0 HA GLU A 48 -11.576 -14.361 -3.025 1.00 71.01 H new ATOM 0 HB2 GLU A 48 -10.788 -13.515 -0.186 1.00 41.25 H new ATOM 0 HB3 GLU A 48 -12.398 -13.407 -0.871 1.00 41.25 H new ATOM 0 HG2 GLU A 48 -10.895 -16.025 -0.420 1.00 23.12 H new ATOM 0 HG3 GLU A 48 -12.067 -15.354 0.697 1.00 23.12 H new ATOM 742 N ILE A 49 -9.372 -11.998 -2.422 1.00 32.31 N ATOM 743 CA ILE A 49 -8.875 -10.681 -2.888 1.00 30.53 C ATOM 744 C ILE A 49 -7.587 -10.867 -3.721 1.00 13.03 C ATOM 745 O ILE A 49 -6.903 -11.897 -3.612 1.00 62.24 O ATOM 746 CB ILE A 49 -8.586 -9.682 -1.689 1.00 73.11 C ATOM 747 CG1 ILE A 49 -7.423 -10.204 -0.770 1.00 52.23 C ATOM 748 CG2 ILE A 49 -9.877 -9.400 -0.874 1.00 54.04 C ATOM 749 CD1 ILE A 49 -7.008 -9.262 0.354 1.00 0.32 C ATOM 0 H ILE A 49 -8.699 -12.506 -1.848 1.00 32.31 H new ATOM 0 HA ILE A 49 -9.662 -10.243 -3.502 1.00 30.53 H new ATOM 0 HB ILE A 49 -8.254 -8.737 -2.118 1.00 73.11 H new ATOM 0 HG12 ILE A 49 -7.727 -11.154 -0.331 1.00 52.23 H new ATOM 0 HG13 ILE A 49 -6.552 -10.405 -1.393 1.00 52.23 H new ATOM 0 HG21 ILE A 49 -9.650 -8.713 -0.059 1.00 54.04 H new ATOM 0 HG22 ILE A 49 -10.629 -8.954 -1.526 1.00 54.04 H new ATOM 0 HG23 ILE A 49 -10.260 -10.335 -0.464 1.00 54.04 H new ATOM 0 HD11 ILE A 49 -6.200 -9.715 0.929 1.00 0.32 H new ATOM 0 HD12 ILE A 49 -6.667 -8.318 -0.070 1.00 0.32 H new ATOM 0 HD13 ILE A 49 -7.860 -9.079 1.008 1.00 0.32 H new ATOM 761 N SER A 50 -7.272 -9.866 -4.557 1.00 54.45 N ATOM 762 CA SER A 50 -5.997 -9.830 -5.311 1.00 13.50 C ATOM 763 C SER A 50 -4.871 -9.239 -4.435 1.00 3.20 C ATOM 764 O SER A 50 -5.132 -8.669 -3.363 1.00 43.43 O ATOM 765 CB SER A 50 -6.152 -8.993 -6.606 1.00 73.11 C ATOM 766 OG SER A 50 -7.218 -9.470 -7.406 1.00 12.14 O ATOM 0 H SER A 50 -7.880 -9.066 -4.732 1.00 54.45 H new ATOM 0 HA SER A 50 -5.734 -10.852 -5.585 1.00 13.50 H new ATOM 0 HB2 SER A 50 -6.329 -7.949 -6.347 1.00 73.11 H new ATOM 0 HB3 SER A 50 -5.224 -9.027 -7.176 1.00 73.11 H new ATOM 0 HG SER A 50 -7.291 -8.921 -8.214 1.00 12.14 H new ATOM 772 N VAL A 51 -3.616 -9.369 -4.899 1.00 21.11 N ATOM 773 CA VAL A 51 -2.447 -8.751 -4.227 1.00 50.31 C ATOM 774 C VAL A 51 -2.568 -7.207 -4.217 1.00 42.13 C ATOM 775 O VAL A 51 -2.131 -6.554 -3.275 1.00 14.01 O ATOM 776 CB VAL A 51 -1.102 -9.198 -4.911 1.00 14.42 C ATOM 777 CG1 VAL A 51 0.149 -8.551 -4.254 1.00 14.41 C ATOM 778 CG2 VAL A 51 -0.983 -10.743 -4.926 1.00 40.45 C ATOM 0 H VAL A 51 -3.379 -9.897 -5.739 1.00 21.11 H new ATOM 0 HA VAL A 51 -2.433 -9.098 -3.194 1.00 50.31 H new ATOM 0 HB VAL A 51 -1.135 -8.838 -5.939 1.00 14.42 H new ATOM 0 HG11 VAL A 51 1.048 -8.895 -4.766 1.00 14.41 H new ATOM 0 HG12 VAL A 51 0.080 -7.466 -4.331 1.00 14.41 H new ATOM 0 HG13 VAL A 51 0.198 -8.838 -3.204 1.00 14.41 H new ATOM 0 HG21 VAL A 51 -0.046 -11.031 -5.403 1.00 40.45 H new ATOM 0 HG22 VAL A 51 -1.000 -11.119 -3.903 1.00 40.45 H new ATOM 0 HG23 VAL A 51 -1.819 -11.167 -5.482 1.00 40.45 H new ATOM 788 N ARG A 52 -3.191 -6.644 -5.272 1.00 2.41 N ATOM 789 CA ARG A 52 -3.463 -5.190 -5.370 1.00 20.44 C ATOM 790 C ARG A 52 -4.384 -4.690 -4.222 1.00 70.33 C ATOM 791 O ARG A 52 -4.146 -3.626 -3.634 1.00 1.02 O ATOM 792 CB ARG A 52 -4.071 -4.837 -6.762 1.00 44.25 C ATOM 793 CG ARG A 52 -3.921 -3.347 -7.187 1.00 71.23 C ATOM 794 CD ARG A 52 -2.472 -2.967 -7.615 1.00 55.00 C ATOM 795 NE ARG A 52 -1.477 -3.119 -6.517 1.00 64.10 N ATOM 796 CZ ARG A 52 -0.407 -3.898 -6.546 1.00 63.00 C ATOM 797 NH1 ARG A 52 -0.071 -4.525 -7.607 1.00 2.30 N ATOM 798 NH2 ARG A 52 0.336 -4.013 -5.509 1.00 64.53 N ATOM 0 H ARG A 52 -3.519 -7.178 -6.077 1.00 2.41 H new ATOM 0 HA ARG A 52 -2.509 -4.673 -5.265 1.00 20.44 H new ATOM 0 HB2 ARG A 52 -3.598 -5.464 -7.518 1.00 44.25 H new ATOM 0 HB3 ARG A 52 -5.131 -5.092 -6.754 1.00 44.25 H new ATOM 0 HG2 ARG A 52 -4.601 -3.143 -8.014 1.00 71.23 H new ATOM 0 HG3 ARG A 52 -4.226 -2.708 -6.358 1.00 71.23 H new ATOM 0 HD2 ARG A 52 -2.173 -3.592 -8.457 1.00 55.00 H new ATOM 0 HD3 ARG A 52 -2.462 -1.935 -7.965 1.00 55.00 H new ATOM 0 HE ARG A 52 -1.634 -2.575 -5.668 1.00 64.10 H new ATOM 0 HH11 ARG A 52 -0.631 -4.431 -8.454 1.00 2.30 H new ATOM 0 HH12 ARG A 52 0.757 -5.120 -7.607 1.00 2.30 H new ATOM 0 HH21 ARG A 52 0.104 -3.503 -4.656 1.00 64.53 H new ATOM 0 HH22 ARG A 52 1.159 -4.614 -5.536 1.00 64.53 H new ATOM 812 N ASP A 53 -5.421 -5.493 -3.915 1.00 1.21 N ATOM 813 CA ASP A 53 -6.355 -5.235 -2.796 1.00 63.21 C ATOM 814 C ASP A 53 -5.667 -5.418 -1.426 1.00 64.51 C ATOM 815 O ASP A 53 -6.004 -4.721 -0.468 1.00 52.42 O ATOM 816 CB ASP A 53 -7.573 -6.184 -2.886 1.00 2.02 C ATOM 817 CG ASP A 53 -8.345 -6.032 -4.200 1.00 71.51 C ATOM 818 OD1 ASP A 53 -7.907 -6.594 -5.223 1.00 61.32 O ATOM 819 OD2 ASP A 53 -9.385 -5.346 -4.220 1.00 62.04 O ATOM 0 H ASP A 53 -5.637 -6.342 -4.437 1.00 1.21 H new ATOM 0 HA ASP A 53 -6.685 -4.200 -2.880 1.00 63.21 H new ATOM 0 HB2 ASP A 53 -7.233 -7.215 -2.786 1.00 2.02 H new ATOM 0 HB3 ASP A 53 -8.244 -5.987 -2.050 1.00 2.02 H new ATOM 824 N PHE A 54 -4.712 -6.369 -1.347 1.00 40.30 N ATOM 825 CA PHE A 54 -3.996 -6.682 -0.091 1.00 53.22 C ATOM 826 C PHE A 54 -2.982 -5.565 0.282 1.00 21.21 C ATOM 827 O PHE A 54 -2.911 -5.155 1.441 1.00 73.11 O ATOM 828 CB PHE A 54 -3.289 -8.061 -0.184 1.00 2.45 C ATOM 829 CG PHE A 54 -2.708 -8.526 1.154 1.00 2.20 C ATOM 830 CD1 PHE A 54 -3.542 -9.025 2.156 1.00 55.54 C ATOM 831 CD2 PHE A 54 -1.344 -8.442 1.422 1.00 65.21 C ATOM 832 CE1 PHE A 54 -3.028 -9.424 3.373 1.00 60.12 C ATOM 833 CE2 PHE A 54 -0.835 -8.844 2.640 1.00 63.12 C ATOM 834 CZ PHE A 54 -1.677 -9.335 3.613 1.00 4.22 C ATOM 0 H PHE A 54 -4.418 -6.936 -2.142 1.00 40.30 H new ATOM 0 HA PHE A 54 -4.739 -6.732 0.705 1.00 53.22 H new ATOM 0 HB2 PHE A 54 -4.001 -8.805 -0.543 1.00 2.45 H new ATOM 0 HB3 PHE A 54 -2.488 -8.004 -0.921 1.00 2.45 H new ATOM 0 HD1 PHE A 54 -4.604 -9.100 1.976 1.00 55.54 H new ATOM 0 HD2 PHE A 54 -0.675 -8.057 0.666 1.00 65.21 H new ATOM 0 HE1 PHE A 54 -3.688 -9.807 4.138 1.00 60.12 H new ATOM 0 HE2 PHE A 54 0.226 -8.773 2.831 1.00 63.12 H new ATOM 0 HZ PHE A 54 -1.276 -9.650 4.565 1.00 4.22 H new ATOM 844 N VAL A 55 -2.205 -5.087 -0.715 1.00 4.11 N ATOM 845 CA VAL A 55 -1.266 -3.939 -0.549 1.00 34.35 C ATOM 846 C VAL A 55 -2.036 -2.674 -0.091 1.00 34.40 C ATOM 847 O VAL A 55 -1.572 -1.914 0.772 1.00 65.23 O ATOM 848 CB VAL A 55 -0.464 -3.658 -1.887 1.00 25.04 C ATOM 849 CG1 VAL A 55 0.422 -2.387 -1.787 1.00 41.52 C ATOM 850 CG2 VAL A 55 0.402 -4.887 -2.277 1.00 52.02 C ATOM 0 H VAL A 55 -2.206 -5.480 -1.656 1.00 4.11 H new ATOM 0 HA VAL A 55 -0.542 -4.201 0.222 1.00 34.35 H new ATOM 0 HB VAL A 55 -1.203 -3.480 -2.668 1.00 25.04 H new ATOM 0 HG11 VAL A 55 0.951 -2.237 -2.728 1.00 41.52 H new ATOM 0 HG12 VAL A 55 -0.207 -1.520 -1.582 1.00 41.52 H new ATOM 0 HG13 VAL A 55 1.145 -2.510 -0.980 1.00 41.52 H new ATOM 0 HG21 VAL A 55 0.944 -4.673 -3.198 1.00 52.02 H new ATOM 0 HG22 VAL A 55 1.113 -5.099 -1.479 1.00 52.02 H new ATOM 0 HG23 VAL A 55 -0.242 -5.753 -2.428 1.00 52.02 H new ATOM 860 N ARG A 56 -3.239 -2.503 -0.661 1.00 43.52 N ATOM 861 CA ARG A 56 -4.173 -1.428 -0.286 1.00 65.32 C ATOM 862 C ARG A 56 -4.726 -1.625 1.149 1.00 51.11 C ATOM 863 O ARG A 56 -4.828 -0.664 1.901 1.00 63.33 O ATOM 864 CB ARG A 56 -5.325 -1.359 -1.323 1.00 32.52 C ATOM 865 CG ARG A 56 -6.360 -0.235 -1.084 1.00 32.20 C ATOM 866 CD ARG A 56 -7.321 -0.056 -2.277 1.00 35.22 C ATOM 867 NE ARG A 56 -8.036 -1.299 -2.634 1.00 2.21 N ATOM 868 CZ ARG A 56 -8.952 -1.409 -3.575 1.00 2.42 C ATOM 869 NH1 ARG A 56 -9.362 -0.377 -4.246 1.00 43.42 N ATOM 870 NH2 ARG A 56 -9.486 -2.555 -3.813 1.00 64.32 N ATOM 0 H ARG A 56 -3.594 -3.110 -1.400 1.00 43.52 H new ATOM 0 HA ARG A 56 -3.632 -0.482 -0.289 1.00 65.32 H new ATOM 0 HB2 ARG A 56 -4.892 -1.227 -2.315 1.00 32.52 H new ATOM 0 HB3 ARG A 56 -5.846 -2.316 -1.327 1.00 32.52 H new ATOM 0 HG2 ARG A 56 -6.937 -0.461 -0.187 1.00 32.20 H new ATOM 0 HG3 ARG A 56 -5.837 0.703 -0.899 1.00 32.20 H new ATOM 0 HD2 ARG A 56 -8.049 0.719 -2.037 1.00 35.22 H new ATOM 0 HD3 ARG A 56 -6.757 0.293 -3.142 1.00 35.22 H new ATOM 0 HE ARG A 56 -7.801 -2.141 -2.109 1.00 2.21 H new ATOM 0 HH11 ARG A 56 -8.974 0.546 -4.050 1.00 43.42 H new ATOM 0 HH12 ARG A 56 -10.072 -0.488 -4.970 1.00 43.42 H new ATOM 0 HH21 ARG A 56 -9.200 -3.373 -3.274 1.00 64.32 H new ATOM 0 HH22 ARG A 56 -10.195 -2.646 -4.540 1.00 64.32 H new ATOM 884 N ALA A 57 -5.055 -2.882 1.517 1.00 35.11 N ATOM 885 CA ALA A 57 -5.616 -3.230 2.857 1.00 40.33 C ATOM 886 C ALA A 57 -4.618 -2.940 4.006 1.00 41.13 C ATOM 887 O ALA A 57 -4.997 -2.429 5.067 1.00 33.14 O ATOM 888 CB ALA A 57 -6.027 -4.714 2.882 1.00 22.15 C ATOM 0 H ALA A 57 -4.943 -3.688 0.902 1.00 35.11 H new ATOM 0 HA ALA A 57 -6.490 -2.599 3.019 1.00 40.33 H new ATOM 0 HB1 ALA A 57 -6.435 -4.962 3.862 1.00 22.15 H new ATOM 0 HB2 ALA A 57 -6.782 -4.895 2.117 1.00 22.15 H new ATOM 0 HB3 ALA A 57 -5.154 -5.337 2.685 1.00 22.15 H new ATOM 894 N VAL A 58 -3.345 -3.284 3.768 1.00 30.20 N ATOM 895 CA VAL A 58 -2.229 -3.052 4.719 1.00 64.04 C ATOM 896 C VAL A 58 -1.884 -1.545 4.810 1.00 4.12 C ATOM 897 O VAL A 58 -1.440 -1.050 5.851 1.00 12.04 O ATOM 898 CB VAL A 58 -0.986 -3.938 4.322 1.00 25.20 C ATOM 899 CG1 VAL A 58 0.223 -3.748 5.278 1.00 14.53 C ATOM 900 CG2 VAL A 58 -1.407 -5.433 4.266 1.00 62.13 C ATOM 0 H VAL A 58 -3.049 -3.736 2.903 1.00 30.20 H new ATOM 0 HA VAL A 58 -2.540 -3.358 5.718 1.00 64.04 H new ATOM 0 HB VAL A 58 -0.654 -3.609 3.337 1.00 25.20 H new ATOM 0 HG11 VAL A 58 1.047 -4.384 4.953 1.00 14.53 H new ATOM 0 HG12 VAL A 58 0.540 -2.705 5.261 1.00 14.53 H new ATOM 0 HG13 VAL A 58 -0.068 -4.022 6.292 1.00 14.53 H new ATOM 0 HG21 VAL A 58 -0.547 -6.043 3.991 1.00 62.13 H new ATOM 0 HG22 VAL A 58 -1.775 -5.744 5.244 1.00 62.13 H new ATOM 0 HG23 VAL A 58 -2.195 -5.562 3.524 1.00 62.13 H new ATOM 910 N ALA A 59 -2.114 -0.827 3.703 1.00 72.50 N ATOM 911 CA ALA A 59 -2.048 0.649 3.671 1.00 51.42 C ATOM 912 C ALA A 59 -3.270 1.315 4.355 1.00 11.43 C ATOM 913 O ALA A 59 -3.172 2.439 4.829 1.00 44.53 O ATOM 914 CB ALA A 59 -1.935 1.120 2.229 1.00 24.53 C ATOM 0 H ALA A 59 -2.351 -1.247 2.804 1.00 72.50 H new ATOM 0 HA ALA A 59 -1.166 0.951 4.235 1.00 51.42 H new ATOM 0 HB1 ALA A 59 -1.886 2.209 2.205 1.00 24.53 H new ATOM 0 HB2 ALA A 59 -1.032 0.706 1.781 1.00 24.53 H new ATOM 0 HB3 ALA A 59 -2.806 0.783 1.667 1.00 24.53 H new ATOM 920 N LEU A 60 -4.418 0.612 4.383 1.00 14.34 N ATOM 921 CA LEU A 60 -5.654 1.087 5.065 1.00 53.34 C ATOM 922 C LEU A 60 -5.666 0.691 6.554 1.00 34.22 C ATOM 923 O LEU A 60 -6.555 1.115 7.303 1.00 32.54 O ATOM 924 CB LEU A 60 -6.921 0.528 4.353 1.00 33.35 C ATOM 925 CG LEU A 60 -7.227 1.129 2.944 1.00 1.32 C ATOM 926 CD1 LEU A 60 -8.478 0.481 2.307 1.00 22.44 C ATOM 927 CD2 LEU A 60 -7.365 2.662 3.027 1.00 63.53 C ATOM 0 H LEU A 60 -4.523 -0.299 3.937 1.00 14.34 H new ATOM 0 HA LEU A 60 -5.664 2.175 5.005 1.00 53.34 H new ATOM 0 HB2 LEU A 60 -6.811 -0.552 4.251 1.00 33.35 H new ATOM 0 HB3 LEU A 60 -7.783 0.701 4.997 1.00 33.35 H new ATOM 0 HG LEU A 60 -6.384 0.900 2.292 1.00 1.32 H new ATOM 0 HD11 LEU A 60 -8.659 0.925 1.328 1.00 22.44 H new ATOM 0 HD12 LEU A 60 -8.315 -0.591 2.195 1.00 22.44 H new ATOM 0 HD13 LEU A 60 -9.343 0.652 2.948 1.00 22.44 H new ATOM 0 HD21 LEU A 60 -7.578 3.062 2.036 1.00 63.53 H new ATOM 0 HD22 LEU A 60 -8.180 2.918 3.704 1.00 63.53 H new ATOM 0 HD23 LEU A 60 -6.435 3.091 3.400 1.00 63.53 H new ATOM 939 N SER A 61 -4.676 -0.128 6.958 1.00 1.54 N ATOM 940 CA SER A 61 -4.520 -0.602 8.343 1.00 14.15 C ATOM 941 C SER A 61 -4.354 0.567 9.334 1.00 5.51 C ATOM 942 O SER A 61 -3.561 1.487 9.096 1.00 13.51 O ATOM 943 CB SER A 61 -3.299 -1.545 8.452 1.00 1.51 C ATOM 944 OG SER A 61 -3.192 -2.109 9.746 1.00 14.12 O ATOM 0 H SER A 61 -3.957 -0.481 6.326 1.00 1.54 H new ATOM 0 HA SER A 61 -5.429 -1.143 8.604 1.00 14.15 H new ATOM 0 HB2 SER A 61 -3.386 -2.342 7.713 1.00 1.51 H new ATOM 0 HB3 SER A 61 -2.389 -0.992 8.219 1.00 1.51 H new ATOM 0 HG SER A 61 -2.412 -2.701 9.781 1.00 14.12 H new ATOM 950 N GLU A 62 -5.100 0.507 10.445 1.00 15.21 N ATOM 951 CA GLU A 62 -5.004 1.485 11.541 1.00 20.04 C ATOM 952 C GLU A 62 -3.682 1.323 12.322 1.00 70.03 C ATOM 953 O GLU A 62 -3.261 2.240 13.011 1.00 31.14 O ATOM 954 CB GLU A 62 -6.227 1.391 12.486 1.00 51.14 C ATOM 955 CG GLU A 62 -7.554 1.819 11.819 1.00 53.25 C ATOM 956 CD GLU A 62 -8.726 1.984 12.796 1.00 55.01 C ATOM 957 OE1 GLU A 62 -8.586 2.753 13.773 1.00 21.23 O ATOM 958 OE2 GLU A 62 -9.805 1.396 12.573 1.00 64.22 O ATOM 0 H GLU A 62 -5.791 -0.224 10.611 1.00 15.21 H new ATOM 0 HA GLU A 62 -5.005 2.480 11.096 1.00 20.04 H new ATOM 0 HB2 GLU A 62 -6.323 0.366 12.843 1.00 51.14 H new ATOM 0 HB3 GLU A 62 -6.050 2.017 13.360 1.00 51.14 H new ATOM 0 HG2 GLU A 62 -7.397 2.762 11.296 1.00 53.25 H new ATOM 0 HG3 GLU A 62 -7.825 1.078 11.067 1.00 53.25 H new ATOM 965 N LEU A 63 -3.081 0.126 12.239 1.00 54.23 N ATOM 966 CA LEU A 63 -1.781 -0.199 12.868 1.00 33.11 C ATOM 967 C LEU A 63 -0.618 0.533 12.141 1.00 12.34 C ATOM 968 O LEU A 63 0.274 1.103 12.783 1.00 42.32 O ATOM 969 CB LEU A 63 -1.544 -1.741 12.852 1.00 53.41 C ATOM 970 CG LEU A 63 -2.543 -2.623 13.687 1.00 24.02 C ATOM 971 CD1 LEU A 63 -3.963 -2.678 13.073 1.00 62.10 C ATOM 972 CD2 LEU A 63 -1.989 -4.043 13.875 1.00 65.00 C ATOM 0 H LEU A 63 -3.486 -0.658 11.727 1.00 54.23 H new ATOM 0 HA LEU A 63 -1.806 0.143 13.903 1.00 33.11 H new ATOM 0 HB2 LEU A 63 -1.578 -2.079 11.816 1.00 53.41 H new ATOM 0 HB3 LEU A 63 -0.535 -1.933 13.217 1.00 53.41 H new ATOM 0 HG LEU A 63 -2.638 -2.141 14.660 1.00 24.02 H new ATOM 0 HD11 LEU A 63 -4.605 -3.302 13.695 1.00 62.10 H new ATOM 0 HD12 LEU A 63 -4.376 -1.671 13.021 1.00 62.10 H new ATOM 0 HD13 LEU A 63 -3.909 -3.100 12.070 1.00 62.10 H new ATOM 0 HD21 LEU A 63 -2.696 -4.636 14.455 1.00 65.00 H new ATOM 0 HD22 LEU A 63 -1.840 -4.508 12.900 1.00 65.00 H new ATOM 0 HD23 LEU A 63 -1.037 -3.995 14.403 1.00 65.00 H new ATOM 984 N TYR A 64 -0.660 0.510 10.791 1.00 51.22 N ATOM 985 CA TYR A 64 0.272 1.285 9.929 1.00 35.15 C ATOM 986 C TYR A 64 0.041 2.805 10.125 1.00 1.33 C ATOM 987 O TYR A 64 0.994 3.590 10.231 1.00 13.02 O ATOM 988 CB TYR A 64 0.079 0.862 8.433 1.00 14.34 C ATOM 989 CG TYR A 64 0.647 1.838 7.374 1.00 61.34 C ATOM 990 CD1 TYR A 64 1.989 2.233 7.387 1.00 13.24 C ATOM 991 CD2 TYR A 64 -0.171 2.381 6.374 1.00 3.05 C ATOM 992 CE1 TYR A 64 2.484 3.125 6.454 1.00 11.04 C ATOM 993 CE2 TYR A 64 0.327 3.271 5.436 1.00 61.31 C ATOM 994 CZ TYR A 64 1.654 3.638 5.479 1.00 74.44 C ATOM 995 OH TYR A 64 2.152 4.529 4.545 1.00 31.05 O ATOM 0 H TYR A 64 -1.337 -0.043 10.265 1.00 51.22 H new ATOM 0 HA TYR A 64 1.301 1.068 10.214 1.00 35.15 H new ATOM 0 HB2 TYR A 64 0.546 -0.112 8.288 1.00 14.34 H new ATOM 0 HB3 TYR A 64 -0.987 0.735 8.247 1.00 14.34 H new ATOM 0 HD1 TYR A 64 2.651 1.833 8.141 1.00 13.24 H new ATOM 0 HD2 TYR A 64 -1.213 2.099 6.334 1.00 3.05 H new ATOM 0 HE1 TYR A 64 3.522 3.421 6.489 1.00 11.04 H new ATOM 0 HE2 TYR A 64 -0.323 3.675 4.674 1.00 61.31 H new ATOM 0 HH TYR A 64 3.085 4.305 4.344 1.00 31.05 H new ATOM 1005 N ARG A 65 -1.239 3.187 10.179 1.00 31.41 N ATOM 1006 CA ARG A 65 -1.676 4.585 10.361 1.00 3.31 C ATOM 1007 C ARG A 65 -1.231 5.150 11.737 1.00 64.43 C ATOM 1008 O ARG A 65 -0.769 6.280 11.832 1.00 74.12 O ATOM 1009 CB ARG A 65 -3.216 4.651 10.233 1.00 1.11 C ATOM 1010 CG ARG A 65 -3.812 6.069 10.110 1.00 54.35 C ATOM 1011 CD ARG A 65 -5.353 6.045 10.097 1.00 21.22 C ATOM 1012 NE ARG A 65 -5.894 5.025 9.174 1.00 14.04 N ATOM 1013 CZ ARG A 65 -7.091 4.483 9.254 1.00 2.43 C ATOM 1014 NH1 ARG A 65 -7.935 4.845 10.171 1.00 11.21 N ATOM 1015 NH2 ARG A 65 -7.437 3.560 8.420 1.00 41.24 N ATOM 0 H ARG A 65 -2.015 2.530 10.097 1.00 31.41 H new ATOM 0 HA ARG A 65 -1.208 5.198 9.590 1.00 3.31 H new ATOM 0 HB2 ARG A 65 -3.516 4.073 9.359 1.00 1.11 H new ATOM 0 HB3 ARG A 65 -3.657 4.165 11.103 1.00 1.11 H new ATOM 0 HG2 ARG A 65 -3.465 6.682 10.942 1.00 54.35 H new ATOM 0 HG3 ARG A 65 -3.448 6.538 9.196 1.00 54.35 H new ATOM 0 HD2 ARG A 65 -5.719 5.849 11.105 1.00 21.22 H new ATOM 0 HD3 ARG A 65 -5.726 7.027 9.807 1.00 21.22 H new ATOM 0 HE ARG A 65 -5.290 4.716 8.412 1.00 14.04 H new ATOM 0 HH11 ARG A 65 -7.676 5.563 10.848 1.00 11.21 H new ATOM 0 HH12 ARG A 65 -8.857 4.412 10.215 1.00 11.21 H new ATOM 0 HH21 ARG A 65 -6.783 3.252 7.700 1.00 41.24 H new ATOM 0 HH22 ARG A 65 -8.364 3.139 8.481 1.00 41.24 H new ATOM 1029 N GLU A 66 -1.364 4.334 12.794 1.00 41.23 N ATOM 1030 CA GLU A 66 -1.011 4.732 14.180 1.00 4.34 C ATOM 1031 C GLU A 66 0.503 5.030 14.275 1.00 40.53 C ATOM 1032 O GLU A 66 0.915 6.105 14.721 1.00 61.45 O ATOM 1033 CB GLU A 66 -1.448 3.603 15.173 1.00 34.44 C ATOM 1034 CG GLU A 66 -1.468 3.958 16.688 1.00 60.45 C ATOM 1035 CD GLU A 66 -0.078 4.033 17.361 1.00 32.51 C ATOM 1036 OE1 GLU A 66 0.557 2.970 17.543 1.00 12.34 O ATOM 1037 OE2 GLU A 66 0.385 5.146 17.693 1.00 65.03 O ATOM 0 H GLU A 66 -1.718 3.380 12.720 1.00 41.23 H new ATOM 0 HA GLU A 66 -1.541 5.645 14.453 1.00 4.34 H new ATOM 0 HB2 GLU A 66 -2.447 3.272 14.890 1.00 34.44 H new ATOM 0 HB3 GLU A 66 -0.780 2.753 15.034 1.00 34.44 H new ATOM 0 HG2 GLU A 66 -1.968 4.918 16.814 1.00 60.45 H new ATOM 0 HG3 GLU A 66 -2.069 3.215 17.212 1.00 60.45 H new ATOM 1044 N LYS A 67 1.309 4.093 13.764 1.00 23.42 N ATOM 1045 CA LYS A 67 2.774 4.151 13.875 1.00 62.22 C ATOM 1046 C LYS A 67 3.398 5.242 12.957 1.00 12.23 C ATOM 1047 O LYS A 67 4.208 6.049 13.412 1.00 34.33 O ATOM 1048 CB LYS A 67 3.374 2.751 13.577 1.00 54.43 C ATOM 1049 CG LYS A 67 4.894 2.641 13.837 1.00 40.42 C ATOM 1050 CD LYS A 67 5.427 1.194 13.721 1.00 63.42 C ATOM 1051 CE LYS A 67 6.944 1.104 13.979 1.00 4.24 C ATOM 1052 NZ LYS A 67 7.313 1.578 15.336 1.00 34.02 N ATOM 0 H LYS A 67 0.967 3.274 13.262 1.00 23.42 H new ATOM 0 HA LYS A 67 3.023 4.438 14.897 1.00 62.22 H new ATOM 0 HB2 LYS A 67 2.858 2.010 14.188 1.00 54.43 H new ATOM 0 HB3 LYS A 67 3.176 2.498 12.535 1.00 54.43 H new ATOM 0 HG2 LYS A 67 5.425 3.275 13.127 1.00 40.42 H new ATOM 0 HG3 LYS A 67 5.115 3.024 14.833 1.00 40.42 H new ATOM 0 HD2 LYS A 67 4.902 0.558 14.434 1.00 63.42 H new ATOM 0 HD3 LYS A 67 5.207 0.807 12.726 1.00 63.42 H new ATOM 0 HE2 LYS A 67 7.271 0.071 13.856 1.00 4.24 H new ATOM 0 HE3 LYS A 67 7.473 1.697 13.233 1.00 4.24 H new ATOM 0 HZ1 LYS A 67 8.313 1.359 15.520 1.00 34.02 H new ATOM 0 HZ2 LYS A 67 7.167 2.606 15.396 1.00 34.02 H new ATOM 0 HZ3 LYS A 67 6.718 1.102 16.044 1.00 34.02 H new ATOM 1066 N PHE A 68 2.988 5.286 11.674 1.00 3.12 N ATOM 1067 CA PHE A 68 3.649 6.145 10.645 1.00 4.41 C ATOM 1068 C PHE A 68 2.917 7.476 10.346 1.00 23.44 C ATOM 1069 O PHE A 68 3.524 8.372 9.756 1.00 31.14 O ATOM 1070 CB PHE A 68 3.885 5.329 9.343 1.00 3.02 C ATOM 1071 CG PHE A 68 4.947 4.242 9.522 1.00 45.00 C ATOM 1072 CD1 PHE A 68 6.305 4.545 9.382 1.00 71.44 C ATOM 1073 CD2 PHE A 68 4.599 2.939 9.879 1.00 2.24 C ATOM 1074 CE1 PHE A 68 7.272 3.579 9.580 1.00 43.34 C ATOM 1075 CE2 PHE A 68 5.569 1.977 10.084 1.00 0.45 C ATOM 1076 CZ PHE A 68 6.905 2.295 9.936 1.00 24.10 C ATOM 0 H PHE A 68 2.204 4.741 11.316 1.00 3.12 H new ATOM 0 HA PHE A 68 4.605 6.446 11.074 1.00 4.41 H new ATOM 0 HB2 PHE A 68 2.947 4.869 9.030 1.00 3.02 H new ATOM 0 HB3 PHE A 68 4.191 6.005 8.544 1.00 3.02 H new ATOM 0 HD1 PHE A 68 6.602 5.549 9.115 1.00 71.44 H new ATOM 0 HD2 PHE A 68 3.557 2.679 9.997 1.00 2.24 H new ATOM 0 HE1 PHE A 68 8.316 3.827 9.457 1.00 43.34 H new ATOM 0 HE2 PHE A 68 5.282 0.973 10.361 1.00 0.45 H new ATOM 0 HZ PHE A 68 7.662 1.542 10.098 1.00 24.10 H new ATOM 1086 N PHE A 69 1.614 7.604 10.667 1.00 13.45 N ATOM 1087 CA PHE A 69 0.922 8.927 10.605 1.00 1.34 C ATOM 1088 C PHE A 69 0.983 9.690 11.959 1.00 71.14 C ATOM 1089 O PHE A 69 1.217 10.893 11.972 1.00 52.15 O ATOM 1090 CB PHE A 69 -0.552 8.802 10.112 1.00 3.45 C ATOM 1091 CG PHE A 69 -1.321 10.133 10.144 1.00 63.51 C ATOM 1092 CD1 PHE A 69 -1.086 11.122 9.191 1.00 45.40 C ATOM 1093 CD2 PHE A 69 -2.241 10.414 11.161 1.00 22.34 C ATOM 1094 CE1 PHE A 69 -1.742 12.339 9.258 1.00 43.14 C ATOM 1095 CE2 PHE A 69 -2.898 11.628 11.218 1.00 33.41 C ATOM 1096 CZ PHE A 69 -2.645 12.590 10.268 1.00 50.42 C ATOM 0 H PHE A 69 1.021 6.830 10.967 1.00 13.45 H new ATOM 0 HA PHE A 69 1.470 9.514 9.868 1.00 1.34 H new ATOM 0 HB2 PHE A 69 -0.555 8.413 9.094 1.00 3.45 H new ATOM 0 HB3 PHE A 69 -1.074 8.074 10.733 1.00 3.45 H new ATOM 0 HD1 PHE A 69 -0.384 10.937 8.391 1.00 45.40 H new ATOM 0 HD2 PHE A 69 -2.441 9.668 11.915 1.00 22.34 H new ATOM 0 HE1 PHE A 69 -1.545 13.097 8.514 1.00 43.14 H new ATOM 0 HE2 PHE A 69 -3.609 11.821 12.007 1.00 33.41 H new ATOM 0 HZ PHE A 69 -3.154 13.542 10.314 1.00 50.42 H new ATOM 1106 N HIS A 70 0.726 9.002 13.096 1.00 43.15 N ATOM 1107 CA HIS A 70 0.550 9.693 14.413 1.00 22.14 C ATOM 1108 C HIS A 70 1.885 9.936 15.160 1.00 63.03 C ATOM 1109 O HIS A 70 2.043 10.970 15.817 1.00 0.31 O ATOM 1110 CB HIS A 70 -0.453 8.928 15.309 1.00 21.53 C ATOM 1111 CG HIS A 70 -1.862 8.906 14.760 1.00 62.03 C ATOM 1112 ND1 HIS A 70 -2.802 9.866 15.069 1.00 12.25 N ATOM 1113 CD2 HIS A 70 -2.481 8.055 13.909 1.00 13.43 C ATOM 1114 CE1 HIS A 70 -3.927 9.607 14.441 1.00 23.11 C ATOM 1115 NE2 HIS A 70 -3.761 8.518 13.728 1.00 54.24 N ATOM 0 H HIS A 70 0.636 7.987 13.138 1.00 43.15 H new ATOM 0 HA HIS A 70 0.142 10.678 14.189 1.00 22.14 H new ATOM 0 HB2 HIS A 70 -0.105 7.903 15.435 1.00 21.53 H new ATOM 0 HB3 HIS A 70 -0.465 9.385 16.299 1.00 21.53 H new ATOM 0 HD2 HIS A 70 -2.048 7.175 13.456 1.00 13.43 H new ATOM 0 HE1 HIS A 70 -4.834 10.191 14.501 1.00 23.11 H new ATOM 0 HE2 HIS A 70 -4.469 8.085 13.135 1.00 54.24 H new ATOM 1124 N ASN A 71 2.849 8.998 15.056 1.00 14.12 N ATOM 1125 CA ASN A 71 4.209 9.172 15.659 1.00 13.10 C ATOM 1126 C ASN A 71 5.194 9.878 14.674 1.00 73.33 C ATOM 1127 O ASN A 71 6.406 9.925 14.915 1.00 42.33 O ATOM 1128 CB ASN A 71 4.778 7.793 16.098 1.00 11.20 C ATOM 1129 CG ASN A 71 3.893 7.077 17.123 1.00 11.55 C ATOM 1130 OD1 ASN A 71 4.049 7.245 18.325 1.00 54.43 O ATOM 1131 ND2 ASN A 71 2.963 6.275 16.656 1.00 25.10 N ATOM 0 H ASN A 71 2.723 8.113 14.565 1.00 14.12 H new ATOM 0 HA ASN A 71 4.106 9.814 16.534 1.00 13.10 H new ATOM 0 HB2 ASN A 71 4.893 7.158 15.220 1.00 11.20 H new ATOM 0 HB3 ASN A 71 5.772 7.935 16.521 1.00 11.20 H new ATOM 0 HD21 ASN A 71 2.350 5.775 17.300 1.00 25.10 H new ATOM 0 HD22 ASN A 71 2.854 6.152 15.649 1.00 25.10 H new ATOM 1138 N ASN A 72 4.643 10.443 13.587 1.00 14.33 N ATOM 1139 CA ASN A 72 5.413 11.053 12.474 1.00 22.33 C ATOM 1140 C ASN A 72 4.627 12.252 11.869 1.00 72.30 C ATOM 1141 O ASN A 72 3.413 12.331 12.026 1.00 31.53 O ATOM 1142 CB ASN A 72 5.675 9.952 11.411 1.00 42.32 C ATOM 1143 CG ASN A 72 6.507 10.389 10.207 1.00 40.33 C ATOM 1144 OD1 ASN A 72 7.424 11.192 10.327 1.00 53.24 O ATOM 1145 ND2 ASN A 72 6.178 9.881 9.034 1.00 30.22 N ATOM 0 H ASN A 72 3.634 10.493 13.448 1.00 14.33 H new ATOM 0 HA ASN A 72 6.365 11.442 12.834 1.00 22.33 H new ATOM 0 HB2 ASN A 72 6.179 9.116 11.895 1.00 42.32 H new ATOM 0 HB3 ASN A 72 4.715 9.581 11.052 1.00 42.32 H new ATOM 0 HD21 ASN A 72 6.692 10.155 8.197 1.00 30.22 H new ATOM 0 HD22 ASN A 72 5.409 9.214 8.965 1.00 30.22 H new ATOM 1152 N ALA A 73 5.329 13.194 11.212 1.00 23.24 N ATOM 1153 CA ALA A 73 4.690 14.338 10.510 1.00 74.33 C ATOM 1154 C ALA A 73 3.932 13.861 9.243 1.00 21.53 C ATOM 1155 O ALA A 73 4.422 12.978 8.544 1.00 3.41 O ATOM 1156 CB ALA A 73 5.747 15.390 10.132 1.00 43.31 C ATOM 0 H ALA A 73 6.347 13.190 11.149 1.00 23.24 H new ATOM 0 HA ALA A 73 3.967 14.790 11.189 1.00 74.33 H new ATOM 0 HB1 ALA A 73 5.265 16.222 9.619 1.00 43.31 H new ATOM 0 HB2 ALA A 73 6.236 15.755 11.035 1.00 43.31 H new ATOM 0 HB3 ALA A 73 6.490 14.939 9.474 1.00 43.31 H new ATOM 1162 N HIS A 74 2.729 14.426 8.972 1.00 62.24 N ATOM 1163 CA HIS A 74 1.921 14.080 7.764 1.00 21.53 C ATOM 1164 C HIS A 74 2.704 14.327 6.444 1.00 33.33 C ATOM 1165 O HIS A 74 2.557 13.568 5.484 1.00 23.31 O ATOM 1166 CB HIS A 74 0.589 14.870 7.757 1.00 70.41 C ATOM 1167 CG HIS A 74 -0.361 14.509 6.626 1.00 71.20 C ATOM 1168 ND1 HIS A 74 -1.173 15.451 6.046 1.00 22.32 N ATOM 1169 CD2 HIS A 74 -0.613 13.302 6.043 1.00 5.15 C ATOM 1170 CE1 HIS A 74 -1.890 14.810 5.146 1.00 73.43 C ATOM 1171 NE2 HIS A 74 -1.588 13.509 5.107 1.00 43.25 N ATOM 0 H HIS A 74 2.292 15.125 9.572 1.00 62.24 H new ATOM 0 HA HIS A 74 1.703 13.013 7.817 1.00 21.53 H new ATOM 0 HB2 HIS A 74 0.080 14.705 8.707 1.00 70.41 H new ATOM 0 HB3 HIS A 74 0.815 15.935 7.697 1.00 70.41 H new ATOM 0 HD2 HIS A 74 -0.134 12.362 6.276 1.00 5.15 H new ATOM 0 HE1 HIS A 74 -2.632 15.279 4.516 1.00 73.43 H new ATOM 0 HE2 HIS A 74 -2.004 12.806 4.497 1.00 43.25 H new ATOM 1179 N ASN A 75 3.527 15.389 6.418 1.00 53.23 N ATOM 1180 CA ASN A 75 4.441 15.686 5.285 1.00 61.44 C ATOM 1181 C ASN A 75 5.391 14.481 5.027 1.00 55.11 C ATOM 1182 O ASN A 75 5.485 13.972 3.905 1.00 41.14 O ATOM 1183 CB ASN A 75 5.244 16.974 5.603 1.00 61.10 C ATOM 1184 CG ASN A 75 6.157 17.432 4.462 1.00 23.44 C ATOM 1185 OD1 ASN A 75 7.315 17.052 4.385 1.00 11.54 O ATOM 1186 ND2 ASN A 75 5.642 18.260 3.572 1.00 13.10 N ATOM 0 H ASN A 75 3.583 16.069 7.177 1.00 53.23 H new ATOM 0 HA ASN A 75 3.860 15.849 4.377 1.00 61.44 H new ATOM 0 HB2 ASN A 75 4.546 17.776 5.841 1.00 61.10 H new ATOM 0 HB3 ASN A 75 5.849 16.803 6.493 1.00 61.10 H new ATOM 0 HD21 ASN A 75 6.214 18.597 2.798 1.00 13.10 H new ATOM 0 HD22 ASN A 75 4.672 18.563 3.658 1.00 13.10 H new ATOM 1193 N ARG A 76 6.034 14.009 6.112 1.00 74.44 N ATOM 1194 CA ARG A 76 6.903 12.809 6.104 1.00 65.41 C ATOM 1195 C ARG A 76 6.115 11.513 5.796 1.00 30.43 C ATOM 1196 O ARG A 76 6.654 10.600 5.183 1.00 34.41 O ATOM 1197 CB ARG A 76 7.624 12.666 7.470 1.00 5.33 C ATOM 1198 CG ARG A 76 8.736 13.699 7.739 1.00 4.44 C ATOM 1199 CD ARG A 76 9.923 13.523 6.773 1.00 21.15 C ATOM 1200 NE ARG A 76 10.514 12.168 6.859 1.00 11.52 N ATOM 1201 CZ ARG A 76 10.890 11.428 5.837 1.00 32.14 C ATOM 1202 NH1 ARG A 76 10.729 11.830 4.613 1.00 2.12 N ATOM 1203 NH2 ARG A 76 11.414 10.269 6.054 1.00 43.45 N ATOM 0 H ARG A 76 5.966 14.451 7.029 1.00 74.44 H new ATOM 0 HA ARG A 76 7.634 12.948 5.308 1.00 65.41 H new ATOM 0 HB2 ARG A 76 6.881 12.741 8.264 1.00 5.33 H new ATOM 0 HB3 ARG A 76 8.056 11.667 7.531 1.00 5.33 H new ATOM 0 HG2 ARG A 76 8.330 14.705 7.637 1.00 4.44 H new ATOM 0 HG3 ARG A 76 9.085 13.599 8.767 1.00 4.44 H new ATOM 0 HD2 ARG A 76 9.590 13.709 5.752 1.00 21.15 H new ATOM 0 HD3 ARG A 76 10.687 14.267 6.999 1.00 21.15 H new ATOM 0 HE ARG A 76 10.641 11.774 7.791 1.00 11.52 H new ATOM 0 HH11 ARG A 76 10.303 12.738 4.426 1.00 2.12 H new ATOM 0 HH12 ARG A 76 11.029 11.238 3.838 1.00 2.12 H new ATOM 0 HH21 ARG A 76 11.533 9.934 7.010 1.00 43.45 H new ATOM 0 HH22 ARG A 76 11.709 9.688 5.269 1.00 43.45 H new ATOM 1217 N PHE A 77 4.844 11.449 6.239 1.00 73.33 N ATOM 1218 CA PHE A 77 3.964 10.276 6.024 1.00 0.23 C ATOM 1219 C PHE A 77 3.660 10.085 4.522 1.00 5.44 C ATOM 1220 O PHE A 77 3.662 8.963 4.040 1.00 12.24 O ATOM 1221 CB PHE A 77 2.644 10.418 6.837 1.00 13.44 C ATOM 1222 CG PHE A 77 1.607 9.310 6.584 1.00 40.31 C ATOM 1223 CD1 PHE A 77 1.867 7.989 6.957 1.00 12.31 C ATOM 1224 CD2 PHE A 77 0.387 9.584 5.954 1.00 52.44 C ATOM 1225 CE1 PHE A 77 0.946 6.988 6.721 1.00 42.22 C ATOM 1226 CE2 PHE A 77 -0.530 8.576 5.714 1.00 72.23 C ATOM 1227 CZ PHE A 77 -0.250 7.279 6.097 1.00 75.22 C ATOM 0 H PHE A 77 4.396 12.206 6.755 1.00 73.33 H new ATOM 0 HA PHE A 77 4.490 9.390 6.380 1.00 0.23 H new ATOM 0 HB2 PHE A 77 2.888 10.432 7.899 1.00 13.44 H new ATOM 0 HB3 PHE A 77 2.191 11.381 6.601 1.00 13.44 H new ATOM 0 HD1 PHE A 77 2.803 7.747 7.438 1.00 12.31 H new ATOM 0 HD2 PHE A 77 0.159 10.595 5.651 1.00 52.44 H new ATOM 0 HE1 PHE A 77 1.162 5.975 7.025 1.00 42.22 H new ATOM 0 HE2 PHE A 77 -1.466 8.804 5.226 1.00 72.23 H new ATOM 0 HZ PHE A 77 -0.966 6.493 5.908 1.00 75.22 H new ATOM 1237 N ILE A 78 3.404 11.198 3.807 1.00 44.14 N ATOM 1238 CA ILE A 78 3.180 11.200 2.336 1.00 13.21 C ATOM 1239 C ILE A 78 4.482 10.819 1.582 1.00 31.31 C ATOM 1240 O ILE A 78 4.449 10.057 0.600 1.00 44.12 O ATOM 1241 CB ILE A 78 2.646 12.610 1.858 1.00 13.11 C ATOM 1242 CG1 ILE A 78 1.274 12.932 2.547 1.00 52.32 C ATOM 1243 CG2 ILE A 78 2.527 12.694 0.309 1.00 23.24 C ATOM 1244 CD1 ILE A 78 0.742 14.339 2.305 1.00 45.43 C ATOM 0 H ILE A 78 3.345 12.125 4.228 1.00 44.14 H new ATOM 0 HA ILE A 78 2.423 10.451 2.103 1.00 13.21 H new ATOM 0 HB ILE A 78 3.375 13.362 2.160 1.00 13.11 H new ATOM 0 HG12 ILE A 78 0.532 12.215 2.196 1.00 52.32 H new ATOM 0 HG13 ILE A 78 1.381 12.781 3.621 1.00 52.32 H new ATOM 0 HG21 ILE A 78 2.157 13.679 0.025 1.00 23.24 H new ATOM 0 HG22 ILE A 78 3.507 12.531 -0.141 1.00 23.24 H new ATOM 0 HG23 ILE A 78 1.834 11.930 -0.045 1.00 23.24 H new ATOM 0 HD11 ILE A 78 -0.209 14.462 2.822 1.00 45.43 H new ATOM 0 HD12 ILE A 78 1.458 15.069 2.683 1.00 45.43 H new ATOM 0 HD13 ILE A 78 0.596 14.494 1.236 1.00 45.43 H new ATOM 1256 N GLU A 79 5.628 11.337 2.080 1.00 41.14 N ATOM 1257 CA GLU A 79 6.976 11.010 1.548 1.00 5.32 C ATOM 1258 C GLU A 79 7.294 9.506 1.662 1.00 31.21 C ATOM 1259 O GLU A 79 7.890 8.901 0.756 1.00 72.05 O ATOM 1260 CB GLU A 79 8.065 11.860 2.255 1.00 52.01 C ATOM 1261 CG GLU A 79 7.985 13.366 1.953 1.00 54.45 C ATOM 1262 CD GLU A 79 9.131 14.153 2.595 1.00 72.05 C ATOM 1263 OE1 GLU A 79 9.012 14.552 3.769 1.00 75.31 O ATOM 1264 OE2 GLU A 79 10.177 14.331 1.938 1.00 33.51 O ATOM 0 H GLU A 79 5.647 11.993 2.861 1.00 41.14 H new ATOM 0 HA GLU A 79 6.975 11.259 0.487 1.00 5.32 H new ATOM 0 HB2 GLU A 79 7.983 11.712 3.332 1.00 52.01 H new ATOM 0 HB3 GLU A 79 9.047 11.493 1.957 1.00 52.01 H new ATOM 0 HG2 GLU A 79 8.003 13.519 0.874 1.00 54.45 H new ATOM 0 HG3 GLU A 79 7.033 13.756 2.314 1.00 54.45 H new ATOM 1271 N LEU A 80 6.874 8.922 2.782 1.00 44.03 N ATOM 1272 CA LEU A 80 6.993 7.485 3.038 1.00 53.22 C ATOM 1273 C LEU A 80 5.935 6.684 2.238 1.00 41.25 C ATOM 1274 O LEU A 80 6.254 5.657 1.667 1.00 70.34 O ATOM 1275 CB LEU A 80 6.878 7.219 4.564 1.00 34.52 C ATOM 1276 CG LEU A 80 8.059 7.772 5.433 1.00 41.04 C ATOM 1277 CD1 LEU A 80 7.762 7.661 6.948 1.00 20.12 C ATOM 1278 CD2 LEU A 80 9.390 7.074 5.067 1.00 34.34 C ATOM 0 H LEU A 80 6.437 9.437 3.546 1.00 44.03 H new ATOM 0 HA LEU A 80 7.971 7.143 2.698 1.00 53.22 H new ATOM 0 HB2 LEU A 80 5.948 7.659 4.923 1.00 34.52 H new ATOM 0 HB3 LEU A 80 6.804 6.143 4.724 1.00 34.52 H new ATOM 0 HG LEU A 80 8.162 8.833 5.206 1.00 41.04 H new ATOM 0 HD11 LEU A 80 8.606 8.055 7.514 1.00 20.12 H new ATOM 0 HD12 LEU A 80 6.866 8.234 7.186 1.00 20.12 H new ATOM 0 HD13 LEU A 80 7.605 6.615 7.212 1.00 20.12 H new ATOM 0 HD21 LEU A 80 10.193 7.476 5.684 1.00 34.34 H new ATOM 0 HD22 LEU A 80 9.299 6.002 5.243 1.00 34.34 H new ATOM 0 HD23 LEU A 80 9.617 7.251 4.016 1.00 34.34 H new ATOM 1290 N ASN A 81 4.695 7.200 2.159 1.00 25.01 N ATOM 1291 CA ASN A 81 3.528 6.467 1.585 1.00 5.44 C ATOM 1292 C ASN A 81 3.724 6.158 0.071 1.00 11.54 C ATOM 1293 O ASN A 81 3.299 5.107 -0.416 1.00 72.21 O ATOM 1294 CB ASN A 81 2.223 7.291 1.818 1.00 2.25 C ATOM 1295 CG ASN A 81 0.927 6.492 1.628 1.00 54.40 C ATOM 1296 OD1 ASN A 81 0.887 5.288 1.851 1.00 72.01 O ATOM 1297 ND2 ASN A 81 -0.150 7.160 1.247 1.00 32.20 N ATOM 0 H ASN A 81 4.463 8.137 2.489 1.00 25.01 H new ATOM 0 HA ASN A 81 3.444 5.508 2.097 1.00 5.44 H new ATOM 0 HB2 ASN A 81 2.240 7.697 2.829 1.00 2.25 H new ATOM 0 HB3 ASN A 81 2.216 8.139 1.134 1.00 2.25 H new ATOM 0 HD21 ASN A 81 -1.039 6.673 1.133 1.00 32.20 H new ATOM 0 HD22 ASN A 81 -0.091 8.162 1.067 1.00 32.20 H new ATOM 1304 N PHE A 82 4.383 7.089 -0.657 1.00 52.12 N ATOM 1305 CA PHE A 82 4.741 6.905 -2.090 1.00 22.22 C ATOM 1306 C PHE A 82 5.705 5.715 -2.305 1.00 54.33 C ATOM 1307 O PHE A 82 5.466 4.865 -3.167 1.00 1.31 O ATOM 1308 CB PHE A 82 5.356 8.204 -2.690 1.00 50.31 C ATOM 1309 CG PHE A 82 4.339 9.154 -3.311 1.00 14.44 C ATOM 1310 CD1 PHE A 82 3.645 8.778 -4.463 1.00 54.13 C ATOM 1311 CD2 PHE A 82 4.091 10.413 -2.773 1.00 2.14 C ATOM 1312 CE1 PHE A 82 2.740 9.634 -5.053 1.00 52.15 C ATOM 1313 CE2 PHE A 82 3.187 11.266 -3.363 1.00 64.14 C ATOM 1314 CZ PHE A 82 2.514 10.875 -4.504 1.00 62.23 C ATOM 0 H PHE A 82 4.682 7.986 -0.274 1.00 52.12 H new ATOM 0 HA PHE A 82 3.812 6.680 -2.614 1.00 22.22 H new ATOM 0 HB2 PHE A 82 5.896 8.732 -1.904 1.00 50.31 H new ATOM 0 HB3 PHE A 82 6.088 7.928 -3.449 1.00 50.31 H new ATOM 0 HD1 PHE A 82 3.820 7.805 -4.897 1.00 54.13 H new ATOM 0 HD2 PHE A 82 4.615 10.724 -1.881 1.00 2.14 H new ATOM 0 HE1 PHE A 82 2.210 9.331 -5.944 1.00 52.15 H new ATOM 0 HE2 PHE A 82 3.004 12.240 -2.934 1.00 64.14 H new ATOM 0 HZ PHE A 82 1.807 11.547 -4.968 1.00 62.23 H new ATOM 1324 N LYS A 83 6.805 5.680 -1.538 1.00 32.43 N ATOM 1325 CA LYS A 83 7.804 4.587 -1.622 1.00 71.25 C ATOM 1326 C LYS A 83 7.274 3.267 -1.010 1.00 72.11 C ATOM 1327 O LYS A 83 7.747 2.176 -1.353 1.00 30.12 O ATOM 1328 CB LYS A 83 9.152 5.019 -0.995 1.00 55.51 C ATOM 1329 CG LYS A 83 9.118 5.323 0.517 1.00 23.24 C ATOM 1330 CD LYS A 83 10.435 5.947 1.026 1.00 71.22 C ATOM 1331 CE LYS A 83 11.662 5.062 0.749 1.00 71.10 C ATOM 1332 NZ LYS A 83 11.598 3.755 1.461 1.00 52.33 N ATOM 0 H LYS A 83 7.032 6.396 -0.848 1.00 32.43 H new ATOM 0 HA LYS A 83 7.983 4.385 -2.678 1.00 71.25 H new ATOM 0 HB2 LYS A 83 9.884 4.231 -1.172 1.00 55.51 H new ATOM 0 HB3 LYS A 83 9.507 5.907 -1.518 1.00 55.51 H new ATOM 0 HG2 LYS A 83 8.292 6.002 0.729 1.00 23.24 H new ATOM 0 HG3 LYS A 83 8.921 4.402 1.065 1.00 23.24 H new ATOM 0 HD2 LYS A 83 10.579 6.918 0.551 1.00 71.22 H new ATOM 0 HD3 LYS A 83 10.356 6.125 2.098 1.00 71.22 H new ATOM 0 HE2 LYS A 83 11.742 4.884 -0.323 1.00 71.10 H new ATOM 0 HE3 LYS A 83 12.564 5.593 1.052 1.00 71.10 H new ATOM 0 HZ1 LYS A 83 12.448 3.198 1.241 1.00 52.33 H new ATOM 0 HZ2 LYS A 83 11.549 3.920 2.487 1.00 52.33 H new ATOM 0 HZ3 LYS A 83 10.752 3.233 1.154 1.00 52.33 H new ATOM 1346 N HIS A 84 6.297 3.387 -0.090 1.00 0.10 N ATOM 1347 CA HIS A 84 5.614 2.232 0.525 1.00 13.11 C ATOM 1348 C HIS A 84 4.701 1.501 -0.487 1.00 14.43 C ATOM 1349 O HIS A 84 4.720 0.270 -0.575 1.00 42.34 O ATOM 1350 CB HIS A 84 4.766 2.688 1.750 1.00 55.42 C ATOM 1351 CG HIS A 84 5.553 3.102 2.970 1.00 14.10 C ATOM 1352 ND1 HIS A 84 4.962 3.719 4.047 1.00 71.21 N ATOM 1353 CD2 HIS A 84 6.854 2.936 3.315 1.00 74.35 C ATOM 1354 CE1 HIS A 84 5.848 3.909 4.993 1.00 24.22 C ATOM 1355 NE2 HIS A 84 7.009 3.445 4.582 1.00 0.20 N ATOM 0 H HIS A 84 5.959 4.288 0.248 1.00 0.10 H new ATOM 0 HA HIS A 84 6.388 1.538 0.853 1.00 13.11 H new ATOM 0 HB2 HIS A 84 4.138 3.525 1.443 1.00 55.42 H new ATOM 0 HB3 HIS A 84 4.098 1.874 2.030 1.00 55.42 H new ATOM 0 HD2 HIS A 84 7.625 2.487 2.707 1.00 74.35 H new ATOM 0 HE1 HIS A 84 5.657 4.370 5.951 1.00 24.22 H new ATOM 0 HE2 HIS A 84 7.879 3.461 5.115 1.00 0.20 H new ATOM 1364 N LEU A 85 3.900 2.267 -1.253 1.00 75.43 N ATOM 1365 CA LEU A 85 2.866 1.681 -2.135 1.00 44.41 C ATOM 1366 C LEU A 85 3.324 1.508 -3.591 1.00 4.11 C ATOM 1367 O LEU A 85 2.887 0.577 -4.240 1.00 10.11 O ATOM 1368 CB LEU A 85 1.572 2.544 -2.067 1.00 13.04 C ATOM 1369 CG LEU A 85 0.891 2.598 -0.661 1.00 42.44 C ATOM 1370 CD1 LEU A 85 -0.416 3.426 -0.686 1.00 3.01 C ATOM 1371 CD2 LEU A 85 0.644 1.170 -0.134 1.00 11.24 C ATOM 0 H LEU A 85 3.946 3.286 -1.281 1.00 75.43 H new ATOM 0 HA LEU A 85 2.667 0.675 -1.765 1.00 44.41 H new ATOM 0 HB2 LEU A 85 1.814 3.561 -2.377 1.00 13.04 H new ATOM 0 HB3 LEU A 85 0.854 2.153 -2.788 1.00 13.04 H new ATOM 0 HG LEU A 85 1.570 3.106 0.024 1.00 42.44 H new ATOM 0 HD11 LEU A 85 -0.858 3.439 0.310 1.00 3.01 H new ATOM 0 HD12 LEU A 85 -0.194 4.447 -0.998 1.00 3.01 H new ATOM 0 HD13 LEU A 85 -1.118 2.977 -1.388 1.00 3.01 H new ATOM 0 HD21 LEU A 85 0.169 1.221 0.846 1.00 11.24 H new ATOM 0 HD22 LEU A 85 -0.007 0.635 -0.825 1.00 11.24 H new ATOM 0 HD23 LEU A 85 1.595 0.644 -0.050 1.00 11.24 H new ATOM 1383 N LEU A 86 4.225 2.369 -4.094 1.00 22.33 N ATOM 1384 CA LEU A 86 4.671 2.320 -5.520 1.00 42.13 C ATOM 1385 C LEU A 86 6.196 2.090 -5.608 1.00 75.44 C ATOM 1386 O LEU A 86 6.663 1.224 -6.351 1.00 41.13 O ATOM 1387 CB LEU A 86 4.261 3.621 -6.296 1.00 3.20 C ATOM 1388 CG LEU A 86 2.749 4.067 -6.178 1.00 22.42 C ATOM 1389 CD1 LEU A 86 2.509 4.951 -4.941 1.00 33.32 C ATOM 1390 CD2 LEU A 86 2.231 4.774 -7.450 1.00 42.12 C ATOM 0 H LEU A 86 4.664 3.109 -3.546 1.00 22.33 H new ATOM 0 HA LEU A 86 4.166 1.479 -5.995 1.00 42.13 H new ATOM 0 HB2 LEU A 86 4.887 4.440 -5.942 1.00 3.20 H new ATOM 0 HB3 LEU A 86 4.492 3.476 -7.351 1.00 3.20 H new ATOM 0 HG LEU A 86 2.178 3.146 -6.062 1.00 22.42 H new ATOM 0 HD11 LEU A 86 1.458 5.236 -4.896 1.00 33.32 H new ATOM 0 HD12 LEU A 86 2.773 4.396 -4.041 1.00 33.32 H new ATOM 0 HD13 LEU A 86 3.126 5.847 -5.009 1.00 33.32 H new ATOM 0 HD21 LEU A 86 1.188 5.057 -7.310 1.00 42.12 H new ATOM 0 HD22 LEU A 86 2.827 5.667 -7.638 1.00 42.12 H new ATOM 0 HD23 LEU A 86 2.312 4.098 -8.301 1.00 42.12 H new ATOM 1402 N GLY A 87 6.959 2.881 -4.830 1.00 75.40 N ATOM 1403 CA GLY A 87 8.430 2.787 -4.793 1.00 40.04 C ATOM 1404 C GLY A 87 9.141 4.058 -5.260 1.00 22.41 C ATOM 1405 O GLY A 87 10.269 3.994 -5.763 1.00 53.54 O ATOM 0 H GLY A 87 6.576 3.598 -4.214 1.00 75.40 H new ATOM 0 HA2 GLY A 87 8.745 2.559 -3.775 1.00 40.04 H new ATOM 0 HA3 GLY A 87 8.747 1.953 -5.419 1.00 40.04 H new ATOM 1409 N ARG A 88 8.492 5.232 -5.058 1.00 10.13 N ATOM 1410 CA ARG A 88 9.029 6.555 -5.492 1.00 23.14 C ATOM 1411 C ARG A 88 9.000 7.618 -4.354 1.00 63.34 C ATOM 1412 O ARG A 88 8.475 7.376 -3.268 1.00 1.42 O ATOM 1413 CB ARG A 88 8.245 7.075 -6.732 1.00 4.40 C ATOM 1414 CG ARG A 88 8.432 6.235 -8.041 1.00 24.15 C ATOM 1415 CD ARG A 88 7.166 5.469 -8.463 1.00 43.32 C ATOM 1416 NE ARG A 88 6.027 6.382 -8.658 1.00 63.32 N ATOM 1417 CZ ARG A 88 4.904 6.089 -9.264 1.00 60.35 C ATOM 1418 NH1 ARG A 88 4.710 4.939 -9.838 1.00 13.42 N ATOM 1419 NH2 ARG A 88 3.966 6.968 -9.310 1.00 54.11 N ATOM 0 H ARG A 88 7.586 5.293 -4.593 1.00 10.13 H new ATOM 0 HA ARG A 88 10.075 6.401 -5.758 1.00 23.14 H new ATOM 0 HB2 ARG A 88 7.184 7.102 -6.485 1.00 4.40 H new ATOM 0 HB3 ARG A 88 8.552 8.102 -6.931 1.00 4.40 H new ATOM 0 HG2 ARG A 88 8.732 6.900 -8.851 1.00 24.15 H new ATOM 0 HG3 ARG A 88 9.245 5.524 -7.895 1.00 24.15 H new ATOM 0 HD2 ARG A 88 7.360 4.924 -9.387 1.00 43.32 H new ATOM 0 HD3 ARG A 88 6.916 4.729 -7.702 1.00 43.32 H new ATOM 0 HE ARG A 88 6.122 7.328 -8.288 1.00 63.32 H new ATOM 0 HH11 ARG A 88 5.445 4.232 -9.825 1.00 13.42 H new ATOM 0 HH12 ARG A 88 3.823 4.744 -10.301 1.00 13.42 H new ATOM 0 HH21 ARG A 88 4.102 7.882 -8.877 1.00 54.11 H new ATOM 0 HH22 ARG A 88 3.087 6.751 -9.779 1.00 54.11 H new ATOM 1433 N ALA A 89 9.574 8.807 -4.638 1.00 12.41 N ATOM 1434 CA ALA A 89 9.728 9.919 -3.666 1.00 32.41 C ATOM 1435 C ALA A 89 9.050 11.213 -4.199 1.00 25.34 C ATOM 1436 O ALA A 89 9.356 11.628 -5.330 1.00 32.31 O ATOM 1437 CB ALA A 89 11.223 10.155 -3.376 1.00 34.35 C ATOM 0 H ALA A 89 9.950 9.028 -5.560 1.00 12.41 H new ATOM 0 HA ALA A 89 9.232 9.647 -2.734 1.00 32.41 H new ATOM 0 HB1 ALA A 89 11.331 10.972 -2.662 1.00 34.35 H new ATOM 0 HB2 ALA A 89 11.660 9.248 -2.958 1.00 34.35 H new ATOM 0 HB3 ALA A 89 11.737 10.412 -4.302 1.00 34.35 H new ATOM 1443 N PRO A 90 8.096 11.858 -3.432 1.00 52.22 N ATOM 1444 CA PRO A 90 7.467 13.143 -3.846 1.00 32.23 C ATOM 1445 C PRO A 90 8.510 14.296 -3.935 1.00 61.11 C ATOM 1446 O PRO A 90 8.889 14.923 -2.940 1.00 55.10 O ATOM 1447 CB PRO A 90 6.387 13.404 -2.765 1.00 31.02 C ATOM 1448 CG PRO A 90 6.861 12.635 -1.582 1.00 24.20 C ATOM 1449 CD PRO A 90 7.566 11.402 -2.126 1.00 14.32 C ATOM 0 HA PRO A 90 7.036 13.093 -4.846 1.00 32.23 H new ATOM 0 HB2 PRO A 90 6.298 14.467 -2.540 1.00 31.02 H new ATOM 0 HB3 PRO A 90 5.405 13.064 -3.093 1.00 31.02 H new ATOM 0 HG2 PRO A 90 7.540 13.235 -0.976 1.00 24.20 H new ATOM 0 HG3 PRO A 90 6.025 12.354 -0.941 1.00 24.20 H new ATOM 0 HD2 PRO A 90 8.364 11.070 -1.462 1.00 14.32 H new ATOM 0 HD3 PRO A 90 6.878 10.564 -2.242 1.00 14.32 H new ATOM 1457 N TYR A 91 8.972 14.500 -5.162 1.00 5.12 N ATOM 1458 CA TYR A 91 10.009 15.482 -5.559 1.00 61.20 C ATOM 1459 C TYR A 91 9.666 16.958 -5.202 1.00 44.21 C ATOM 1460 O TYR A 91 10.578 17.785 -5.082 1.00 33.43 O ATOM 1461 CB TYR A 91 10.252 15.339 -7.101 1.00 42.51 C ATOM 1462 CG TYR A 91 8.942 15.126 -7.896 1.00 34.24 C ATOM 1463 CD1 TYR A 91 8.049 16.174 -8.113 1.00 11.21 C ATOM 1464 CD2 TYR A 91 8.568 13.853 -8.350 1.00 3.12 C ATOM 1465 CE1 TYR A 91 6.843 15.974 -8.751 1.00 4.12 C ATOM 1466 CE2 TYR A 91 7.371 13.646 -9.003 1.00 34.14 C ATOM 1467 CZ TYR A 91 6.505 14.707 -9.201 1.00 71.45 C ATOM 1468 OH TYR A 91 5.297 14.500 -9.834 1.00 73.45 O ATOM 0 H TYR A 91 8.625 13.965 -5.958 1.00 5.12 H new ATOM 0 HA TYR A 91 10.908 15.253 -4.987 1.00 61.20 H new ATOM 0 HB2 TYR A 91 10.754 16.233 -7.470 1.00 42.51 H new ATOM 0 HB3 TYR A 91 10.923 14.499 -7.282 1.00 42.51 H new ATOM 0 HD1 TYR A 91 8.308 17.166 -7.773 1.00 11.21 H new ATOM 0 HD2 TYR A 91 9.231 13.017 -8.185 1.00 3.12 H new ATOM 0 HE1 TYR A 91 6.164 16.801 -8.900 1.00 4.12 H new ATOM 0 HE2 TYR A 91 7.111 12.660 -9.358 1.00 34.14 H new ATOM 0 HH TYR A 91 4.633 14.197 -9.180 1.00 73.45 H new ATOM 1478 N ASP A 92 8.366 17.301 -5.043 1.00 42.04 N ATOM 1479 CA ASP A 92 7.949 18.719 -4.882 1.00 53.23 C ATOM 1480 C ASP A 92 6.731 18.876 -3.941 1.00 71.23 C ATOM 1481 O ASP A 92 5.977 17.933 -3.696 1.00 12.15 O ATOM 1482 CB ASP A 92 7.669 19.336 -6.282 1.00 35.12 C ATOM 1483 CG ASP A 92 7.402 20.850 -6.248 1.00 2.12 C ATOM 1484 OD1 ASP A 92 8.323 21.613 -5.893 1.00 3.14 O ATOM 1485 OD2 ASP A 92 6.270 21.276 -6.548 1.00 0.14 O ATOM 0 H ASP A 92 7.598 16.630 -5.022 1.00 42.04 H new ATOM 0 HA ASP A 92 8.766 19.261 -4.406 1.00 53.23 H new ATOM 0 HB2 ASP A 92 8.522 19.141 -6.932 1.00 35.12 H new ATOM 0 HB3 ASP A 92 6.809 18.834 -6.725 1.00 35.12 H new ATOM 1490 N GLN A 93 6.568 20.110 -3.426 1.00 12.53 N ATOM 1491 CA GLN A 93 5.499 20.491 -2.474 1.00 70.23 C ATOM 1492 C GLN A 93 4.095 20.491 -3.118 1.00 42.11 C ATOM 1493 O GLN A 93 3.108 20.321 -2.413 1.00 72.01 O ATOM 1494 CB GLN A 93 5.794 21.883 -1.859 1.00 52.12 C ATOM 1495 CG GLN A 93 7.119 21.961 -1.077 1.00 2.32 C ATOM 1496 CD GLN A 93 7.295 23.286 -0.330 1.00 24.22 C ATOM 1497 OE1 GLN A 93 7.824 24.255 -0.862 1.00 24.35 O ATOM 1498 NE2 GLN A 93 6.840 23.339 0.909 1.00 62.01 N ATOM 0 H GLN A 93 7.186 20.887 -3.663 1.00 12.53 H new ATOM 0 HA GLN A 93 5.495 19.733 -1.690 1.00 70.23 H new ATOM 0 HB2 GLN A 93 5.813 22.624 -2.658 1.00 52.12 H new ATOM 0 HB3 GLN A 93 4.975 22.154 -1.192 1.00 52.12 H new ATOM 0 HG2 GLN A 93 7.162 21.139 -0.363 1.00 2.32 H new ATOM 0 HG3 GLN A 93 7.951 21.826 -1.768 1.00 2.32 H new ATOM 0 HE21 GLN A 93 6.404 22.518 1.328 1.00 62.01 H new ATOM 0 HE22 GLN A 93 6.925 24.201 1.447 1.00 62.01 H new ATOM 1507 N ALA A 94 4.011 20.713 -4.447 1.00 74.21 N ATOM 1508 CA ALA A 94 2.734 20.596 -5.204 1.00 51.12 C ATOM 1509 C ALA A 94 2.170 19.158 -5.134 1.00 43.54 C ATOM 1510 O ALA A 94 0.953 18.950 -5.089 1.00 61.23 O ATOM 1511 CB ALA A 94 2.942 21.025 -6.667 1.00 62.34 C ATOM 0 H ALA A 94 4.810 20.975 -5.024 1.00 74.21 H new ATOM 0 HA ALA A 94 2.004 21.261 -4.743 1.00 51.12 H new ATOM 0 HB1 ALA A 94 2.001 20.935 -7.210 1.00 62.34 H new ATOM 0 HB2 ALA A 94 3.281 22.060 -6.698 1.00 62.34 H new ATOM 0 HB3 ALA A 94 3.691 20.384 -7.131 1.00 62.34 H new ATOM 1517 N GLU A 95 3.091 18.179 -5.119 1.00 34.02 N ATOM 1518 CA GLU A 95 2.758 16.756 -4.945 1.00 63.31 C ATOM 1519 C GLU A 95 2.214 16.480 -3.512 1.00 31.21 C ATOM 1520 O GLU A 95 1.122 15.928 -3.346 1.00 3.42 O ATOM 1521 CB GLU A 95 4.017 15.891 -5.239 1.00 25.53 C ATOM 1522 CG GLU A 95 3.785 14.366 -5.247 1.00 53.33 C ATOM 1523 CD GLU A 95 2.924 13.871 -6.424 1.00 25.22 C ATOM 1524 OE1 GLU A 95 3.488 13.571 -7.499 1.00 11.25 O ATOM 1525 OE2 GLU A 95 1.683 13.772 -6.279 1.00 24.24 O ATOM 0 H GLU A 95 4.090 18.354 -5.228 1.00 34.02 H new ATOM 0 HA GLU A 95 1.970 16.488 -5.649 1.00 63.31 H new ATOM 0 HB2 GLU A 95 4.421 16.185 -6.208 1.00 25.53 H new ATOM 0 HB3 GLU A 95 4.778 16.122 -4.493 1.00 25.53 H new ATOM 0 HG2 GLU A 95 4.751 13.862 -5.279 1.00 53.33 H new ATOM 0 HG3 GLU A 95 3.305 14.077 -4.312 1.00 53.33 H new ATOM 1532 N VAL A 96 2.960 16.945 -2.490 1.00 0.11 N ATOM 1533 CA VAL A 96 2.645 16.690 -1.059 1.00 22.30 C ATOM 1534 C VAL A 96 1.315 17.377 -0.629 1.00 53.23 C ATOM 1535 O VAL A 96 0.429 16.731 -0.065 1.00 32.14 O ATOM 1536 CB VAL A 96 3.825 17.172 -0.129 1.00 62.30 C ATOM 1537 CG1 VAL A 96 3.524 16.914 1.371 1.00 51.42 C ATOM 1538 CG2 VAL A 96 5.172 16.520 -0.547 1.00 54.10 C ATOM 0 H VAL A 96 3.799 17.509 -2.627 1.00 0.11 H new ATOM 0 HA VAL A 96 2.521 15.613 -0.946 1.00 22.30 H new ATOM 0 HB VAL A 96 3.916 18.250 -0.260 1.00 62.30 H new ATOM 0 HG11 VAL A 96 4.362 17.261 1.975 1.00 51.42 H new ATOM 0 HG12 VAL A 96 2.622 17.453 1.659 1.00 51.42 H new ATOM 0 HG13 VAL A 96 3.376 15.846 1.534 1.00 51.42 H new ATOM 0 HG21 VAL A 96 5.966 16.871 0.112 1.00 54.10 H new ATOM 0 HG22 VAL A 96 5.090 15.436 -0.471 1.00 54.10 H new ATOM 0 HG23 VAL A 96 5.406 16.795 -1.576 1.00 54.10 H new ATOM 1548 N ALA A 97 1.197 18.685 -0.926 1.00 62.10 N ATOM 1549 CA ALA A 97 0.008 19.518 -0.589 1.00 14.41 C ATOM 1550 C ALA A 97 -1.292 19.010 -1.266 1.00 53.53 C ATOM 1551 O ALA A 97 -2.384 19.143 -0.698 1.00 11.13 O ATOM 1552 CB ALA A 97 0.270 20.991 -0.959 1.00 3.53 C ATOM 0 H ALA A 97 1.927 19.206 -1.411 1.00 62.10 H new ATOM 0 HA ALA A 97 -0.147 19.435 0.487 1.00 14.41 H new ATOM 0 HB1 ALA A 97 -0.605 21.590 -0.708 1.00 3.53 H new ATOM 0 HB2 ALA A 97 1.132 21.358 -0.403 1.00 3.53 H new ATOM 0 HB3 ALA A 97 0.468 21.068 -2.028 1.00 3.53 H new ATOM 1558 N ALA A 98 -1.162 18.430 -2.478 1.00 14.21 N ATOM 1559 CA ALA A 98 -2.301 17.807 -3.199 1.00 13.40 C ATOM 1560 C ALA A 98 -2.863 16.589 -2.427 1.00 64.51 C ATOM 1561 O ALA A 98 -4.078 16.457 -2.251 1.00 11.52 O ATOM 1562 CB ALA A 98 -1.878 17.394 -4.619 1.00 22.03 C ATOM 0 H ALA A 98 -0.277 18.378 -2.983 1.00 14.21 H new ATOM 0 HA ALA A 98 -3.095 18.551 -3.270 1.00 13.40 H new ATOM 0 HB1 ALA A 98 -2.725 16.939 -5.133 1.00 22.03 H new ATOM 0 HB2 ALA A 98 -1.549 18.274 -5.171 1.00 22.03 H new ATOM 0 HB3 ALA A 98 -1.060 16.675 -4.561 1.00 22.03 H new ATOM 1568 N HIS A 99 -1.956 15.718 -1.953 1.00 14.12 N ATOM 1569 CA HIS A 99 -2.319 14.514 -1.165 1.00 31.11 C ATOM 1570 C HIS A 99 -2.779 14.869 0.266 1.00 74.42 C ATOM 1571 O HIS A 99 -3.575 14.141 0.862 1.00 64.21 O ATOM 1572 CB HIS A 99 -1.137 13.517 -1.151 1.00 44.40 C ATOM 1573 CG HIS A 99 -0.917 12.877 -2.494 1.00 31.51 C ATOM 1574 ND1 HIS A 99 -1.747 11.898 -2.990 1.00 73.24 N ATOM 1575 CD2 HIS A 99 -0.026 13.129 -3.475 1.00 41.34 C ATOM 1576 CE1 HIS A 99 -1.381 11.582 -4.213 1.00 33.01 C ATOM 1577 NE2 HIS A 99 -0.342 12.315 -4.533 1.00 65.03 N ATOM 0 H HIS A 99 -0.952 15.823 -2.101 1.00 14.12 H new ATOM 0 HA HIS A 99 -3.172 14.039 -1.650 1.00 31.11 H new ATOM 0 HB2 HIS A 99 -0.229 14.037 -0.845 1.00 44.40 H new ATOM 0 HB3 HIS A 99 -1.326 12.742 -0.408 1.00 44.40 H new ATOM 0 HD1 HIS A 99 -2.529 11.480 -2.485 1.00 73.24 H new ATOM 0 HD2 HIS A 99 0.786 13.840 -3.435 1.00 41.34 H new ATOM 0 HE1 HIS A 99 -1.855 10.845 -4.845 1.00 33.01 H new ATOM 1586 N ALA A 100 -2.265 15.986 0.807 1.00 12.20 N ATOM 1587 CA ALA A 100 -2.753 16.569 2.076 1.00 4.21 C ATOM 1588 C ALA A 100 -4.236 17.003 1.966 1.00 32.40 C ATOM 1589 O ALA A 100 -5.040 16.751 2.869 1.00 2.43 O ATOM 1590 CB ALA A 100 -1.868 17.756 2.484 1.00 42.14 C ATOM 0 H ALA A 100 -1.502 16.512 0.381 1.00 12.20 H new ATOM 0 HA ALA A 100 -2.693 15.802 2.848 1.00 4.21 H new ATOM 0 HB1 ALA A 100 -2.235 18.179 3.419 1.00 42.14 H new ATOM 0 HB2 ALA A 100 -0.841 17.415 2.618 1.00 42.14 H new ATOM 0 HB3 ALA A 100 -1.899 18.518 1.705 1.00 42.14 H new ATOM 1596 N ALA A 101 -4.583 17.640 0.832 1.00 52.03 N ATOM 1597 CA ALA A 101 -5.968 18.078 0.541 1.00 63.11 C ATOM 1598 C ALA A 101 -6.913 16.873 0.308 1.00 51.41 C ATOM 1599 O ALA A 101 -8.056 16.870 0.780 1.00 65.25 O ATOM 1600 CB ALA A 101 -5.980 19.016 -0.677 1.00 70.43 C ATOM 0 H ALA A 101 -3.918 17.866 0.093 1.00 52.03 H new ATOM 0 HA ALA A 101 -6.338 18.619 1.412 1.00 63.11 H new ATOM 0 HB1 ALA A 101 -7.003 19.332 -0.883 1.00 70.43 H new ATOM 0 HB2 ALA A 101 -5.365 19.891 -0.468 1.00 70.43 H new ATOM 0 HB3 ALA A 101 -5.581 18.491 -1.545 1.00 70.43 H new ATOM 1606 N THR A 102 -6.410 15.850 -0.414 1.00 61.43 N ATOM 1607 CA THR A 102 -7.157 14.591 -0.687 1.00 70.12 C ATOM 1608 C THR A 102 -7.488 13.852 0.631 1.00 3.13 C ATOM 1609 O THR A 102 -8.612 13.367 0.826 1.00 53.22 O ATOM 1610 CB THR A 102 -6.342 13.637 -1.635 1.00 52.42 C ATOM 1611 OG1 THR A 102 -6.004 14.338 -2.843 1.00 41.14 O ATOM 1612 CG2 THR A 102 -7.117 12.351 -2.003 1.00 32.12 C ATOM 0 H THR A 102 -5.477 15.867 -0.826 1.00 61.43 H new ATOM 0 HA THR A 102 -8.086 14.867 -1.186 1.00 70.12 H new ATOM 0 HB THR A 102 -5.446 13.337 -1.091 1.00 52.42 H new ATOM 0 HG1 THR A 102 -5.348 15.038 -2.642 1.00 41.14 H new ATOM 0 HG21 THR A 102 -6.504 11.732 -2.659 1.00 32.12 H new ATOM 0 HG22 THR A 102 -7.352 11.796 -1.095 1.00 32.12 H new ATOM 0 HG23 THR A 102 -8.042 12.617 -2.515 1.00 32.12 H new ATOM 1620 N TYR A 103 -6.481 13.801 1.523 1.00 2.40 N ATOM 1621 CA TYR A 103 -6.583 13.218 2.878 1.00 50.41 C ATOM 1622 C TYR A 103 -7.758 13.817 3.697 1.00 74.32 C ATOM 1623 O TYR A 103 -8.606 13.088 4.206 1.00 50.00 O ATOM 1624 CB TYR A 103 -5.231 13.463 3.617 1.00 32.54 C ATOM 1625 CG TYR A 103 -5.081 12.747 4.973 1.00 44.52 C ATOM 1626 CD1 TYR A 103 -5.594 13.297 6.156 1.00 0.43 C ATOM 1627 CD2 TYR A 103 -4.428 11.518 5.060 1.00 14.04 C ATOM 1628 CE1 TYR A 103 -5.465 12.643 7.364 1.00 33.22 C ATOM 1629 CE2 TYR A 103 -4.299 10.866 6.264 1.00 42.54 C ATOM 1630 CZ TYR A 103 -4.816 11.425 7.412 1.00 23.52 C ATOM 1631 OH TYR A 103 -4.694 10.754 8.613 1.00 21.32 O ATOM 0 H TYR A 103 -5.553 14.172 1.319 1.00 2.40 H new ATOM 0 HA TYR A 103 -6.786 12.152 2.781 1.00 50.41 H new ATOM 0 HB2 TYR A 103 -4.417 13.145 2.965 1.00 32.54 H new ATOM 0 HB3 TYR A 103 -5.112 14.535 3.776 1.00 32.54 H new ATOM 0 HD1 TYR A 103 -6.100 14.251 6.121 1.00 0.43 H new ATOM 0 HD2 TYR A 103 -4.017 11.071 4.167 1.00 14.04 H new ATOM 0 HE1 TYR A 103 -5.869 13.080 8.265 1.00 33.22 H new ATOM 0 HE2 TYR A 103 -3.791 9.914 6.310 1.00 42.54 H new ATOM 0 HH TYR A 103 -4.065 11.233 9.193 1.00 21.32 H new ATOM 1641 N HIS A 104 -7.778 15.153 3.835 1.00 33.40 N ATOM 1642 CA HIS A 104 -8.765 15.858 4.690 1.00 31.44 C ATOM 1643 C HIS A 104 -10.174 15.943 4.051 1.00 25.15 C ATOM 1644 O HIS A 104 -11.183 15.788 4.748 1.00 2.22 O ATOM 1645 CB HIS A 104 -8.241 17.272 5.056 1.00 15.24 C ATOM 1646 CG HIS A 104 -7.059 17.252 5.993 1.00 40.23 C ATOM 1647 ND1 HIS A 104 -7.179 16.930 7.327 1.00 1.53 N ATOM 1648 CD2 HIS A 104 -5.739 17.488 5.792 1.00 22.20 C ATOM 1649 CE1 HIS A 104 -6.001 16.972 7.904 1.00 72.21 C ATOM 1650 NE2 HIS A 104 -5.112 17.305 6.997 1.00 0.14 N ATOM 0 H HIS A 104 -7.120 15.775 3.365 1.00 33.40 H new ATOM 0 HA HIS A 104 -8.878 15.266 5.598 1.00 31.44 H new ATOM 0 HB2 HIS A 104 -7.961 17.795 4.142 1.00 15.24 H new ATOM 0 HB3 HIS A 104 -9.049 17.843 5.515 1.00 15.24 H new ATOM 0 HD2 HIS A 104 -5.271 17.767 4.860 1.00 22.20 H new ATOM 0 HE1 HIS A 104 -5.798 16.768 8.945 1.00 72.21 H new ATOM 0 HE2 HIS A 104 -4.111 17.411 7.163 1.00 0.14 H new ATOM 1659 N SER A 105 -10.237 16.183 2.732 1.00 41.20 N ATOM 1660 CA SER A 105 -11.525 16.442 2.031 1.00 31.20 C ATOM 1661 C SER A 105 -12.269 15.143 1.640 1.00 73.11 C ATOM 1662 O SER A 105 -13.497 15.080 1.722 1.00 24.10 O ATOM 1663 CB SER A 105 -11.258 17.284 0.763 1.00 33.40 C ATOM 1664 OG SER A 105 -12.449 17.560 0.034 1.00 41.32 O ATOM 0 H SER A 105 -9.419 16.205 2.123 1.00 41.20 H new ATOM 0 HA SER A 105 -12.167 16.983 2.726 1.00 31.20 H new ATOM 0 HB2 SER A 105 -10.783 18.223 1.047 1.00 33.40 H new ATOM 0 HB3 SER A 105 -10.556 16.754 0.119 1.00 33.40 H new ATOM 0 HG SER A 105 -12.231 18.095 -0.758 1.00 41.32 H new ATOM 1670 N HIS A 106 -11.519 14.111 1.214 1.00 52.05 N ATOM 1671 CA HIS A 106 -12.117 12.837 0.714 1.00 22.45 C ATOM 1672 C HIS A 106 -11.857 11.628 1.656 1.00 23.23 C ATOM 1673 O HIS A 106 -12.496 10.580 1.509 1.00 12.41 O ATOM 1674 CB HIS A 106 -11.567 12.547 -0.706 1.00 42.33 C ATOM 1675 CG HIS A 106 -11.702 13.698 -1.670 1.00 60.02 C ATOM 1676 ND1 HIS A 106 -12.836 13.932 -2.413 1.00 73.12 N ATOM 1677 CD2 HIS A 106 -10.842 14.698 -1.989 1.00 35.42 C ATOM 1678 CE1 HIS A 106 -12.673 15.013 -3.142 1.00 65.51 C ATOM 1679 NE2 HIS A 106 -11.473 15.501 -2.904 1.00 10.30 N ATOM 0 H HIS A 106 -10.499 14.123 1.202 1.00 52.05 H new ATOM 0 HA HIS A 106 -13.199 12.968 0.685 1.00 22.45 H new ATOM 0 HB2 HIS A 106 -10.514 12.276 -0.627 1.00 42.33 H new ATOM 0 HB3 HIS A 106 -12.089 11.682 -1.116 1.00 42.33 H new ATOM 0 HD2 HIS A 106 -9.846 14.836 -1.595 1.00 35.42 H new ATOM 0 HE1 HIS A 106 -13.401 15.431 -3.822 1.00 65.51 H new ATOM 0 HE2 HIS A 106 -11.078 16.339 -3.331 1.00 10.30 H new ATOM 1688 N GLY A 107 -10.911 11.777 2.601 1.00 23.33 N ATOM 1689 CA GLY A 107 -10.620 10.731 3.606 1.00 15.14 C ATOM 1690 C GLY A 107 -9.263 10.037 3.417 1.00 63.31 C ATOM 1691 O GLY A 107 -8.643 10.139 2.348 1.00 0.41 O ATOM 0 H GLY A 107 -10.333 12.612 2.692 1.00 23.33 H new ATOM 0 HA2 GLY A 107 -10.651 11.179 4.599 1.00 15.14 H new ATOM 0 HA3 GLY A 107 -11.408 9.979 3.570 1.00 15.14 H new ATOM 1695 N TYR A 108 -8.809 9.329 4.482 1.00 22.04 N ATOM 1696 CA TYR A 108 -7.559 8.517 4.469 1.00 74.24 C ATOM 1697 C TYR A 108 -7.594 7.469 3.335 1.00 63.35 C ATOM 1698 O TYR A 108 -6.614 7.278 2.603 1.00 33.30 O ATOM 1699 CB TYR A 108 -7.388 7.804 5.841 1.00 14.22 C ATOM 1700 CG TYR A 108 -6.111 6.949 5.985 1.00 1.12 C ATOM 1701 CD1 TYR A 108 -4.912 7.531 6.380 1.00 31.44 C ATOM 1702 CD2 TYR A 108 -6.104 5.568 5.731 1.00 14.42 C ATOM 1703 CE1 TYR A 108 -3.761 6.792 6.517 1.00 51.20 C ATOM 1704 CE2 TYR A 108 -4.948 4.824 5.873 1.00 64.42 C ATOM 1705 CZ TYR A 108 -3.779 5.443 6.266 1.00 43.23 C ATOM 1706 OH TYR A 108 -2.624 4.710 6.420 1.00 73.23 O ATOM 0 H TYR A 108 -9.298 9.303 5.377 1.00 22.04 H new ATOM 0 HA TYR A 108 -6.714 9.183 4.293 1.00 74.24 H new ATOM 0 HB2 TYR A 108 -7.391 8.559 6.627 1.00 14.22 H new ATOM 0 HB3 TYR A 108 -8.255 7.165 6.010 1.00 14.22 H new ATOM 0 HD1 TYR A 108 -4.884 8.591 6.585 1.00 31.44 H new ATOM 0 HD2 TYR A 108 -7.016 5.080 5.420 1.00 14.42 H new ATOM 0 HE1 TYR A 108 -2.843 7.273 6.822 1.00 51.20 H new ATOM 0 HE2 TYR A 108 -4.960 3.762 5.677 1.00 64.42 H new ATOM 0 HH TYR A 108 -2.686 3.887 5.892 1.00 73.23 H new ATOM 1716 N ASP A 109 -8.759 6.809 3.221 1.00 30.43 N ATOM 1717 CA ASP A 109 -9.028 5.772 2.214 1.00 53.12 C ATOM 1718 C ASP A 109 -8.827 6.296 0.775 1.00 34.53 C ATOM 1719 O ASP A 109 -8.205 5.631 -0.040 1.00 4.33 O ATOM 1720 CB ASP A 109 -10.465 5.212 2.409 1.00 34.32 C ATOM 1721 CG ASP A 109 -11.548 6.312 2.363 1.00 13.22 C ATOM 1722 OD1 ASP A 109 -11.680 7.065 3.357 1.00 34.34 O ATOM 1723 OD2 ASP A 109 -12.239 6.449 1.333 1.00 74.23 O ATOM 0 H ASP A 109 -9.553 6.985 3.837 1.00 30.43 H new ATOM 0 HA ASP A 109 -8.308 4.966 2.357 1.00 53.12 H new ATOM 0 HB2 ASP A 109 -10.670 4.474 1.634 1.00 34.32 H new ATOM 0 HB3 ASP A 109 -10.521 4.693 3.366 1.00 34.32 H new ATOM 1728 N ALA A 110 -9.327 7.507 0.500 1.00 73.05 N ATOM 1729 CA ALA A 110 -9.259 8.127 -0.839 1.00 73.45 C ATOM 1730 C ALA A 110 -7.813 8.440 -1.278 1.00 61.14 C ATOM 1731 O ALA A 110 -7.483 8.328 -2.467 1.00 2.12 O ATOM 1732 CB ALA A 110 -10.098 9.397 -0.855 1.00 74.41 C ATOM 0 H ALA A 110 -9.792 8.089 1.197 1.00 73.05 H new ATOM 0 HA ALA A 110 -9.656 7.406 -1.553 1.00 73.45 H new ATOM 0 HB1 ALA A 110 -10.047 9.854 -1.843 1.00 74.41 H new ATOM 0 HB2 ALA A 110 -11.134 9.152 -0.621 1.00 74.41 H new ATOM 0 HB3 ALA A 110 -9.714 10.096 -0.112 1.00 74.41 H new ATOM 1738 N ASP A 111 -6.962 8.848 -0.307 1.00 74.14 N ATOM 1739 CA ASP A 111 -5.524 9.082 -0.560 1.00 10.23 C ATOM 1740 C ASP A 111 -4.831 7.754 -0.956 1.00 73.12 C ATOM 1741 O ASP A 111 -4.200 7.676 -2.002 1.00 40.12 O ATOM 1742 CB ASP A 111 -4.829 9.728 0.675 1.00 62.24 C ATOM 1743 CG ASP A 111 -3.363 10.111 0.385 1.00 5.33 C ATOM 1744 OD1 ASP A 111 -3.146 11.007 -0.462 1.00 42.24 O ATOM 1745 OD2 ASP A 111 -2.426 9.501 0.960 1.00 12.42 O ATOM 0 H ASP A 111 -7.248 9.021 0.657 1.00 74.14 H new ATOM 0 HA ASP A 111 -5.432 9.784 -1.388 1.00 10.23 H new ATOM 0 HB2 ASP A 111 -5.382 10.617 0.977 1.00 62.24 H new ATOM 0 HB3 ASP A 111 -4.862 9.032 1.513 1.00 62.24 H new ATOM 1750 N ILE A 112 -5.023 6.706 -0.138 1.00 22.15 N ATOM 1751 CA ILE A 112 -4.463 5.352 -0.392 1.00 74.15 C ATOM 1752 C ILE A 112 -4.937 4.781 -1.758 1.00 43.44 C ATOM 1753 O ILE A 112 -4.131 4.281 -2.548 1.00 63.53 O ATOM 1754 CB ILE A 112 -4.855 4.362 0.770 1.00 63.12 C ATOM 1755 CG1 ILE A 112 -4.283 4.856 2.143 1.00 4.22 C ATOM 1756 CG2 ILE A 112 -4.420 2.902 0.468 1.00 63.11 C ATOM 1757 CD1 ILE A 112 -2.765 4.956 2.217 1.00 73.34 C ATOM 0 H ILE A 112 -5.570 6.765 0.721 1.00 22.15 H new ATOM 0 HA ILE A 112 -3.378 5.451 -0.426 1.00 74.15 H new ATOM 0 HB ILE A 112 -5.943 4.358 0.838 1.00 63.12 H new ATOM 0 HG12 ILE A 112 -4.706 5.836 2.363 1.00 4.22 H new ATOM 0 HG13 ILE A 112 -4.625 4.178 2.925 1.00 4.22 H new ATOM 0 HG21 ILE A 112 -4.711 2.257 1.297 1.00 63.11 H new ATOM 0 HG22 ILE A 112 -4.905 2.560 -0.446 1.00 63.11 H new ATOM 0 HG23 ILE A 112 -3.338 2.864 0.341 1.00 63.11 H new ATOM 0 HD11 ILE A 112 -2.471 5.306 3.207 1.00 73.34 H new ATOM 0 HD12 ILE A 112 -2.326 3.975 2.034 1.00 73.34 H new ATOM 0 HD13 ILE A 112 -2.409 5.658 1.463 1.00 73.34 H new ATOM 1769 N ASN A 113 -6.248 4.904 -2.031 1.00 53.11 N ATOM 1770 CA ASN A 113 -6.864 4.462 -3.302 1.00 44.11 C ATOM 1771 C ASN A 113 -6.303 5.254 -4.506 1.00 35.52 C ATOM 1772 O ASN A 113 -6.236 4.713 -5.597 1.00 14.24 O ATOM 1773 CB ASN A 113 -8.420 4.555 -3.253 1.00 4.22 C ATOM 1774 CG ASN A 113 -9.086 3.305 -2.654 1.00 33.22 C ATOM 1775 OD1 ASN A 113 -9.380 2.350 -3.366 1.00 2.12 O ATOM 1776 ND2 ASN A 113 -9.334 3.292 -1.358 1.00 13.54 N ATOM 0 H ASN A 113 -6.915 5.313 -1.377 1.00 53.11 H new ATOM 0 HA ASN A 113 -6.600 3.413 -3.437 1.00 44.11 H new ATOM 0 HB2 ASN A 113 -8.706 5.427 -2.666 1.00 4.22 H new ATOM 0 HB3 ASN A 113 -8.800 4.712 -4.263 1.00 4.22 H new ATOM 0 HD21 ASN A 113 -9.777 2.478 -0.932 1.00 13.54 H new ATOM 0 HD22 ASN A 113 -9.082 4.096 -0.782 1.00 13.54 H new ATOM 1783 N SER A 114 -5.902 6.528 -4.297 1.00 14.33 N ATOM 1784 CA SER A 114 -5.258 7.347 -5.363 1.00 10.33 C ATOM 1785 C SER A 114 -3.892 6.759 -5.806 1.00 64.43 C ATOM 1786 O SER A 114 -3.530 6.833 -6.985 1.00 32.45 O ATOM 1787 CB SER A 114 -5.081 8.819 -4.903 1.00 73.31 C ATOM 1788 OG SER A 114 -4.490 9.621 -5.918 1.00 12.03 O ATOM 0 H SER A 114 -6.010 7.014 -3.407 1.00 14.33 H new ATOM 0 HA SER A 114 -5.925 7.323 -6.225 1.00 10.33 H new ATOM 0 HB2 SER A 114 -6.051 9.234 -4.630 1.00 73.31 H new ATOM 0 HB3 SER A 114 -4.459 8.848 -4.008 1.00 73.31 H new ATOM 0 HG SER A 114 -4.395 10.541 -5.594 1.00 12.03 H new ATOM 1794 N TYR A 115 -3.147 6.168 -4.849 1.00 31.43 N ATOM 1795 CA TYR A 115 -1.831 5.533 -5.123 1.00 33.25 C ATOM 1796 C TYR A 115 -2.016 4.153 -5.814 1.00 24.52 C ATOM 1797 O TYR A 115 -1.273 3.798 -6.732 1.00 23.22 O ATOM 1798 CB TYR A 115 -1.033 5.340 -3.792 1.00 2.41 C ATOM 1799 CG TYR A 115 -0.579 6.627 -3.052 1.00 32.21 C ATOM 1800 CD1 TYR A 115 -1.426 7.717 -2.913 1.00 63.23 C ATOM 1801 CD2 TYR A 115 0.687 6.729 -2.454 1.00 60.33 C ATOM 1802 CE1 TYR A 115 -1.049 8.844 -2.220 1.00 32.11 C ATOM 1803 CE2 TYR A 115 1.069 7.868 -1.766 1.00 74.33 C ATOM 1804 CZ TYR A 115 0.194 8.920 -1.652 1.00 42.12 C ATOM 1805 OH TYR A 115 0.556 10.053 -0.953 1.00 45.11 O ATOM 0 H TYR A 115 -3.433 6.115 -3.871 1.00 31.43 H new ATOM 0 HA TYR A 115 -1.274 6.192 -5.789 1.00 33.25 H new ATOM 0 HB2 TYR A 115 -1.649 4.755 -3.109 1.00 2.41 H new ATOM 0 HB3 TYR A 115 -0.147 4.744 -4.011 1.00 2.41 H new ATOM 0 HD1 TYR A 115 -2.408 7.680 -3.361 1.00 63.23 H new ATOM 0 HD2 TYR A 115 1.377 5.902 -2.532 1.00 60.33 H new ATOM 0 HE1 TYR A 115 -1.736 9.672 -2.124 1.00 32.11 H new ATOM 0 HE2 TYR A 115 2.051 7.929 -1.321 1.00 74.33 H new ATOM 0 HH TYR A 115 1.191 9.813 -0.247 1.00 45.11 H new ATOM 1815 N ILE A 116 -3.041 3.403 -5.363 1.00 52.01 N ATOM 1816 CA ILE A 116 -3.308 2.008 -5.805 1.00 13.21 C ATOM 1817 C ILE A 116 -4.048 1.942 -7.179 1.00 34.32 C ATOM 1818 O ILE A 116 -3.756 1.072 -8.013 1.00 5.11 O ATOM 1819 CB ILE A 116 -4.120 1.238 -4.690 1.00 71.10 C ATOM 1820 CG1 ILE A 116 -3.337 1.240 -3.329 1.00 31.00 C ATOM 1821 CG2 ILE A 116 -4.481 -0.213 -5.115 1.00 45.02 C ATOM 1822 CD1 ILE A 116 -2.014 0.477 -3.324 1.00 43.21 C ATOM 0 H ILE A 116 -3.715 3.745 -4.677 1.00 52.01 H new ATOM 0 HA ILE A 116 -2.344 1.521 -5.952 1.00 13.21 H new ATOM 0 HB ILE A 116 -5.060 1.773 -4.555 1.00 71.10 H new ATOM 0 HG12 ILE A 116 -3.140 2.274 -3.046 1.00 31.00 H new ATOM 0 HG13 ILE A 116 -3.982 0.817 -2.559 1.00 31.00 H new ATOM 0 HG21 ILE A 116 -5.038 -0.699 -4.314 1.00 45.02 H new ATOM 0 HG22 ILE A 116 -5.091 -0.187 -6.018 1.00 45.02 H new ATOM 0 HG23 ILE A 116 -3.567 -0.773 -5.312 1.00 45.02 H new ATOM 0 HD11 ILE A 116 -1.559 0.544 -2.336 1.00 43.21 H new ATOM 0 HD12 ILE A 116 -2.196 -0.569 -3.569 1.00 43.21 H new ATOM 0 HD13 ILE A 116 -1.341 0.911 -4.064 1.00 43.21 H new ATOM 1834 N ASP A 117 -4.980 2.883 -7.412 1.00 52.10 N ATOM 1835 CA ASP A 117 -5.832 2.912 -8.637 1.00 11.55 C ATOM 1836 C ASP A 117 -5.091 3.547 -9.850 1.00 0.24 C ATOM 1837 O ASP A 117 -5.624 3.572 -10.969 1.00 33.41 O ATOM 1838 CB ASP A 117 -7.164 3.662 -8.328 1.00 64.55 C ATOM 1839 CG ASP A 117 -8.178 3.675 -9.492 1.00 23.44 C ATOM 1840 OD1 ASP A 117 -8.731 2.601 -9.821 1.00 15.12 O ATOM 1841 OD2 ASP A 117 -8.421 4.751 -10.086 1.00 72.43 O ATOM 0 H ASP A 117 -5.172 3.648 -6.765 1.00 52.10 H new ATOM 0 HA ASP A 117 -6.060 1.884 -8.920 1.00 11.55 H new ATOM 0 HB2 ASP A 117 -7.633 3.200 -7.460 1.00 64.55 H new ATOM 0 HB3 ASP A 117 -6.931 4.691 -8.054 1.00 64.55 H new ATOM 1846 N SER A 118 -3.848 4.029 -9.643 1.00 74.21 N ATOM 1847 CA SER A 118 -3.017 4.597 -10.733 1.00 34.42 C ATOM 1848 C SER A 118 -2.705 3.516 -11.796 1.00 53.51 C ATOM 1849 O SER A 118 -2.233 2.432 -11.451 1.00 13.12 O ATOM 1850 CB SER A 118 -1.694 5.176 -10.166 1.00 70.34 C ATOM 1851 OG SER A 118 -1.924 6.243 -9.256 1.00 44.42 O ATOM 0 H SER A 118 -3.394 4.038 -8.730 1.00 74.21 H new ATOM 0 HA SER A 118 -3.580 5.403 -11.204 1.00 34.42 H new ATOM 0 HB2 SER A 118 -1.139 4.384 -9.663 1.00 70.34 H new ATOM 0 HB3 SER A 118 -1.072 5.529 -10.988 1.00 70.34 H new ATOM 0 HG SER A 118 -2.582 5.965 -8.585 1.00 44.42 H new ATOM 1857 N ALA A 119 -2.995 3.813 -13.080 1.00 2.45 N ATOM 1858 CA ALA A 119 -2.729 2.876 -14.203 1.00 13.44 C ATOM 1859 C ALA A 119 -1.216 2.697 -14.428 1.00 3.23 C ATOM 1860 O ALA A 119 -0.764 1.618 -14.773 1.00 35.52 O ATOM 1861 CB ALA A 119 -3.404 3.348 -15.497 1.00 14.14 C ATOM 0 H ALA A 119 -3.415 4.696 -13.370 1.00 2.45 H new ATOM 0 HA ALA A 119 -3.156 1.911 -13.928 1.00 13.44 H new ATOM 0 HB1 ALA A 119 -3.190 2.641 -16.298 1.00 14.14 H new ATOM 0 HB2 ALA A 119 -4.482 3.408 -15.344 1.00 14.14 H new ATOM 0 HB3 ALA A 119 -3.021 4.332 -15.769 1.00 14.14 H new ATOM 1867 N GLU A 120 -0.448 3.778 -14.216 1.00 54.05 N ATOM 1868 CA GLU A 120 1.032 3.752 -14.303 1.00 30.35 C ATOM 1869 C GLU A 120 1.663 2.846 -13.211 1.00 20.11 C ATOM 1870 O GLU A 120 2.722 2.241 -13.427 1.00 15.30 O ATOM 1871 CB GLU A 120 1.576 5.211 -14.257 1.00 61.44 C ATOM 1872 CG GLU A 120 1.073 6.091 -13.074 1.00 4.24 C ATOM 1873 CD GLU A 120 2.067 6.200 -11.907 1.00 2.04 C ATOM 1874 OE1 GLU A 120 2.956 7.077 -11.965 1.00 41.33 O ATOM 1875 OE2 GLU A 120 1.972 5.417 -10.937 1.00 71.32 O ATOM 0 H GLU A 120 -0.828 4.695 -13.980 1.00 54.05 H new ATOM 0 HA GLU A 120 1.324 3.307 -15.254 1.00 30.35 H new ATOM 0 HB2 GLU A 120 2.664 5.171 -14.216 1.00 61.44 H new ATOM 0 HB3 GLU A 120 1.310 5.706 -15.191 1.00 61.44 H new ATOM 0 HG2 GLU A 120 0.855 7.092 -13.447 1.00 4.24 H new ATOM 0 HG3 GLU A 120 0.135 5.679 -12.701 1.00 4.24 H new ATOM 1882 N TYR A 121 1.002 2.769 -12.044 1.00 1.23 N ATOM 1883 CA TYR A 121 1.354 1.820 -10.967 1.00 13.50 C ATOM 1884 C TYR A 121 0.935 0.367 -11.310 1.00 71.02 C ATOM 1885 O TYR A 121 1.761 -0.536 -11.291 1.00 73.42 O ATOM 1886 CB TYR A 121 0.674 2.280 -9.656 1.00 64.33 C ATOM 1887 CG TYR A 121 0.756 1.291 -8.480 1.00 10.31 C ATOM 1888 CD1 TYR A 121 1.977 0.769 -8.056 1.00 53.23 C ATOM 1889 CD2 TYR A 121 -0.391 0.889 -7.796 1.00 2.23 C ATOM 1890 CE1 TYR A 121 2.045 -0.108 -6.999 1.00 22.33 C ATOM 1891 CE2 TYR A 121 -0.322 0.012 -6.737 1.00 52.14 C ATOM 1892 CZ TYR A 121 0.893 -0.481 -6.342 1.00 65.40 C ATOM 1893 OH TYR A 121 0.961 -1.342 -5.264 1.00 14.44 O ATOM 0 H TYR A 121 0.205 3.364 -11.817 1.00 1.23 H new ATOM 0 HA TYR A 121 2.438 1.817 -10.850 1.00 13.50 H new ATOM 0 HB2 TYR A 121 1.124 3.223 -9.346 1.00 64.33 H new ATOM 0 HB3 TYR A 121 -0.377 2.482 -9.865 1.00 64.33 H new ATOM 0 HD1 TYR A 121 2.884 1.058 -8.566 1.00 53.23 H new ATOM 0 HD2 TYR A 121 -1.352 1.273 -8.103 1.00 2.23 H new ATOM 0 HE1 TYR A 121 3.000 -0.504 -6.685 1.00 22.33 H new ATOM 0 HE2 TYR A 121 -1.222 -0.286 -6.220 1.00 52.14 H new ATOM 0 HH TYR A 121 0.059 -1.502 -4.915 1.00 14.44 H new ATOM 1903 N THR A 122 -0.350 0.165 -11.634 1.00 33.40 N ATOM 1904 CA THR A 122 -0.937 -1.191 -11.812 1.00 32.45 C ATOM 1905 C THR A 122 -0.368 -1.914 -13.059 1.00 71.11 C ATOM 1906 O THR A 122 -0.153 -3.121 -13.044 1.00 64.15 O ATOM 1907 CB THR A 122 -2.505 -1.119 -11.899 1.00 33.23 C ATOM 1908 OG1 THR A 122 -3.037 -0.600 -10.663 1.00 14.21 O ATOM 1909 CG2 THR A 122 -3.155 -2.490 -12.199 1.00 24.32 C ATOM 0 H THR A 122 -1.016 0.924 -11.781 1.00 33.40 H new ATOM 0 HA THR A 122 -0.657 -1.773 -10.934 1.00 32.45 H new ATOM 0 HB THR A 122 -2.746 -0.457 -12.730 1.00 33.23 H new ATOM 0 HG1 THR A 122 -2.914 0.372 -10.636 1.00 14.21 H new ATOM 0 HG21 THR A 122 -4.238 -2.376 -12.247 1.00 24.32 H new ATOM 0 HG22 THR A 122 -2.787 -2.866 -13.154 1.00 24.32 H new ATOM 0 HG23 THR A 122 -2.899 -3.195 -11.408 1.00 24.32 H new ATOM 1917 N GLU A 123 -0.147 -1.166 -14.139 1.00 12.43 N ATOM 1918 CA GLU A 123 0.374 -1.728 -15.403 1.00 61.44 C ATOM 1919 C GLU A 123 1.876 -2.130 -15.287 1.00 70.10 C ATOM 1920 O GLU A 123 2.274 -3.207 -15.747 1.00 44.14 O ATOM 1921 CB GLU A 123 0.158 -0.706 -16.557 1.00 12.21 C ATOM 1922 CG GLU A 123 -0.019 -1.326 -17.951 1.00 4.22 C ATOM 1923 CD GLU A 123 0.009 -0.278 -19.079 1.00 64.24 C ATOM 1924 OE1 GLU A 123 1.117 0.153 -19.469 1.00 62.32 O ATOM 1925 OE2 GLU A 123 -1.067 0.151 -19.552 1.00 63.41 O ATOM 0 H GLU A 123 -0.319 -0.161 -14.172 1.00 12.43 H new ATOM 0 HA GLU A 123 -0.179 -2.641 -15.623 1.00 61.44 H new ATOM 0 HB2 GLU A 123 -0.722 -0.105 -16.329 1.00 12.21 H new ATOM 0 HB3 GLU A 123 1.010 -0.026 -16.584 1.00 12.21 H new ATOM 0 HG2 GLU A 123 0.771 -2.057 -18.121 1.00 4.22 H new ATOM 0 HG3 GLU A 123 -0.966 -1.865 -17.986 1.00 4.22 H new ATOM 1932 N SER A 124 2.697 -1.260 -14.657 1.00 42.44 N ATOM 1933 CA SER A 124 4.174 -1.474 -14.553 1.00 73.24 C ATOM 1934 C SER A 124 4.574 -2.394 -13.366 1.00 4.43 C ATOM 1935 O SER A 124 5.512 -3.191 -13.477 1.00 5.14 O ATOM 1936 CB SER A 124 4.893 -0.112 -14.410 1.00 3.23 C ATOM 1937 OG SER A 124 6.302 -0.267 -14.310 1.00 62.41 O ATOM 0 H SER A 124 2.371 -0.402 -14.211 1.00 42.44 H new ATOM 0 HA SER A 124 4.483 -1.977 -15.469 1.00 73.24 H new ATOM 0 HB2 SER A 124 4.656 0.516 -15.269 1.00 3.23 H new ATOM 0 HB3 SER A 124 4.520 0.405 -13.525 1.00 3.23 H new ATOM 0 HG SER A 124 6.723 0.614 -14.223 1.00 62.41 H new ATOM 1943 N PHE A 125 3.848 -2.279 -12.243 1.00 11.24 N ATOM 1944 CA PHE A 125 4.092 -3.075 -11.004 1.00 52.54 C ATOM 1945 C PHE A 125 3.075 -4.232 -10.851 1.00 61.34 C ATOM 1946 O PHE A 125 2.970 -4.811 -9.768 1.00 61.11 O ATOM 1947 CB PHE A 125 4.040 -2.155 -9.747 1.00 0.23 C ATOM 1948 CG PHE A 125 5.125 -1.068 -9.703 1.00 25.23 C ATOM 1949 CD1 PHE A 125 6.404 -1.359 -9.228 1.00 2.25 C ATOM 1950 CD2 PHE A 125 4.866 0.240 -10.129 1.00 64.34 C ATOM 1951 CE1 PHE A 125 7.389 -0.385 -9.188 1.00 32.02 C ATOM 1952 CE2 PHE A 125 5.851 1.213 -10.087 1.00 34.52 C ATOM 1953 CZ PHE A 125 7.112 0.901 -9.613 1.00 12.32 C ATOM 0 H PHE A 125 3.066 -1.629 -12.157 1.00 11.24 H new ATOM 0 HA PHE A 125 5.086 -3.513 -11.092 1.00 52.54 H new ATOM 0 HB2 PHE A 125 3.062 -1.675 -9.705 1.00 0.23 H new ATOM 0 HB3 PHE A 125 4.130 -2.775 -8.855 1.00 0.23 H new ATOM 0 HD1 PHE A 125 6.630 -2.358 -8.886 1.00 2.25 H new ATOM 0 HD2 PHE A 125 3.883 0.495 -10.496 1.00 64.34 H new ATOM 0 HE1 PHE A 125 8.376 -0.631 -8.824 1.00 32.02 H new ATOM 0 HE2 PHE A 125 5.634 2.216 -10.425 1.00 34.52 H new ATOM 0 HZ PHE A 125 7.879 1.660 -9.575 1.00 12.32 H new ATOM 1963 N GLY A 126 2.299 -4.519 -11.927 1.00 35.11 N ATOM 1964 CA GLY A 126 1.325 -5.632 -11.944 1.00 2.30 C ATOM 1965 C GLY A 126 0.106 -5.424 -11.023 1.00 74.44 C ATOM 1966 O GLY A 126 0.093 -4.514 -10.199 1.00 54.24 O ATOM 0 H GLY A 126 2.332 -3.989 -12.798 1.00 35.11 H new ATOM 0 HA2 GLY A 126 0.973 -5.776 -12.966 1.00 2.30 H new ATOM 0 HA3 GLY A 126 1.835 -6.550 -11.650 1.00 2.30 H new ATOM 1970 N ASP A 127 -0.967 -6.201 -11.242 1.00 30.03 N ATOM 1971 CA ASP A 127 -2.125 -6.271 -10.304 1.00 45.53 C ATOM 1972 C ASP A 127 -1.938 -7.390 -9.237 1.00 55.45 C ATOM 1973 O ASP A 127 -2.334 -7.237 -8.077 1.00 0.12 O ATOM 1974 CB ASP A 127 -3.444 -6.455 -11.100 1.00 75.32 C ATOM 1975 CG ASP A 127 -3.387 -7.621 -12.103 1.00 33.34 C ATOM 1976 OD1 ASP A 127 -2.928 -7.414 -13.244 1.00 33.23 O ATOM 1977 OD2 ASP A 127 -3.784 -8.742 -11.748 1.00 61.54 O ATOM 0 H ASP A 127 -1.067 -6.798 -12.063 1.00 30.03 H new ATOM 0 HA ASP A 127 -2.180 -5.328 -9.759 1.00 45.53 H new ATOM 0 HB2 ASP A 127 -4.263 -6.625 -10.401 1.00 75.32 H new ATOM 0 HB3 ASP A 127 -3.669 -5.533 -11.636 1.00 75.32 H new ATOM 1982 N ASN A 128 -1.330 -8.518 -9.652 1.00 50.54 N ATOM 1983 CA ASN A 128 -0.997 -9.663 -8.747 1.00 32.00 C ATOM 1984 C ASN A 128 0.491 -9.652 -8.337 1.00 44.20 C ATOM 1985 O ASN A 128 0.968 -10.584 -7.685 1.00 74.50 O ATOM 1986 CB ASN A 128 -1.372 -11.028 -9.405 1.00 2.51 C ATOM 1987 CG ASN A 128 -2.864 -11.380 -9.304 1.00 30.14 C ATOM 1988 OD1 ASN A 128 -3.225 -12.538 -9.139 1.00 54.21 O ATOM 1989 ND2 ASN A 128 -3.745 -10.407 -9.436 1.00 74.12 N ATOM 0 H ASN A 128 -1.051 -8.673 -10.621 1.00 50.54 H new ATOM 0 HA ASN A 128 -1.593 -9.541 -7.843 1.00 32.00 H new ATOM 0 HB2 ASN A 128 -1.085 -11.004 -10.456 1.00 2.51 H new ATOM 0 HB3 ASN A 128 -0.790 -11.819 -8.933 1.00 2.51 H new ATOM 0 HD21 ASN A 128 -4.743 -10.615 -9.401 1.00 74.12 H new ATOM 0 HD22 ASN A 128 -3.428 -9.447 -9.573 1.00 74.12 H new ATOM 1996 N VAL A 129 1.207 -8.586 -8.704 1.00 22.34 N ATOM 1997 CA VAL A 129 2.613 -8.387 -8.320 1.00 62.45 C ATOM 1998 C VAL A 129 2.696 -7.391 -7.133 1.00 14.25 C ATOM 1999 O VAL A 129 1.975 -6.388 -7.097 1.00 2.21 O ATOM 2000 CB VAL A 129 3.460 -7.849 -9.534 1.00 60.23 C ATOM 2001 CG1 VAL A 129 4.942 -7.620 -9.160 1.00 62.05 C ATOM 2002 CG2 VAL A 129 3.353 -8.770 -10.766 1.00 52.41 C ATOM 0 H VAL A 129 0.829 -7.832 -9.278 1.00 22.34 H new ATOM 0 HA VAL A 129 3.026 -9.349 -8.017 1.00 62.45 H new ATOM 0 HB VAL A 129 3.030 -6.882 -9.795 1.00 60.23 H new ATOM 0 HG11 VAL A 129 5.484 -7.249 -10.030 1.00 62.05 H new ATOM 0 HG12 VAL A 129 5.005 -6.888 -8.354 1.00 62.05 H new ATOM 0 HG13 VAL A 129 5.384 -8.561 -8.831 1.00 62.05 H new ATOM 0 HG21 VAL A 129 3.952 -8.361 -11.579 1.00 52.41 H new ATOM 0 HG22 VAL A 129 3.719 -9.764 -10.510 1.00 52.41 H new ATOM 0 HG23 VAL A 129 2.312 -8.837 -11.081 1.00 52.41 H new ATOM 2012 N VAL A 130 3.572 -7.692 -6.165 1.00 43.51 N ATOM 2013 CA VAL A 130 3.930 -6.773 -5.067 1.00 73.24 C ATOM 2014 C VAL A 130 4.929 -5.732 -5.629 1.00 35.53 C ATOM 2015 O VAL A 130 5.904 -6.133 -6.277 1.00 50.34 O ATOM 2016 CB VAL A 130 4.616 -7.554 -3.867 1.00 5.42 C ATOM 2017 CG1 VAL A 130 4.940 -6.624 -2.661 1.00 52.45 C ATOM 2018 CG2 VAL A 130 3.755 -8.755 -3.421 1.00 5.23 C ATOM 0 H VAL A 130 4.058 -8.587 -6.118 1.00 43.51 H new ATOM 0 HA VAL A 130 3.027 -6.295 -4.687 1.00 73.24 H new ATOM 0 HB VAL A 130 5.567 -7.933 -4.241 1.00 5.42 H new ATOM 0 HG11 VAL A 130 5.408 -7.207 -1.867 1.00 52.45 H new ATOM 0 HG12 VAL A 130 5.621 -5.836 -2.982 1.00 52.45 H new ATOM 0 HG13 VAL A 130 4.018 -6.177 -2.288 1.00 52.45 H new ATOM 0 HG21 VAL A 130 4.249 -9.271 -2.598 1.00 5.23 H new ATOM 0 HG22 VAL A 130 2.778 -8.400 -3.092 1.00 5.23 H new ATOM 0 HG23 VAL A 130 3.629 -9.443 -4.257 1.00 5.23 H new ATOM 2028 N PRO A 131 4.724 -4.389 -5.409 1.00 41.11 N ATOM 2029 CA PRO A 131 5.659 -3.346 -5.926 1.00 32.21 C ATOM 2030 C PRO A 131 7.096 -3.473 -5.349 1.00 42.24 C ATOM 2031 O PRO A 131 7.376 -4.313 -4.482 1.00 15.53 O ATOM 2032 CB PRO A 131 4.987 -2.016 -5.483 1.00 34.30 C ATOM 2033 CG PRO A 131 4.130 -2.405 -4.315 1.00 4.23 C ATOM 2034 CD PRO A 131 3.597 -3.777 -4.656 1.00 51.34 C ATOM 0 HA PRO A 131 5.803 -3.427 -7.003 1.00 32.21 H new ATOM 0 HB2 PRO A 131 5.730 -1.270 -5.200 1.00 34.30 H new ATOM 0 HB3 PRO A 131 4.391 -1.584 -6.287 1.00 34.30 H new ATOM 0 HG2 PRO A 131 4.708 -2.425 -3.391 1.00 4.23 H new ATOM 0 HG3 PRO A 131 3.318 -1.693 -4.167 1.00 4.23 H new ATOM 0 HD2 PRO A 131 3.350 -4.349 -3.762 1.00 51.34 H new ATOM 0 HD3 PRO A 131 2.691 -3.721 -5.259 1.00 51.34 H new ATOM 2042 N TYR A 132 8.007 -2.646 -5.866 1.00 0.41 N ATOM 2043 CA TYR A 132 9.385 -2.544 -5.355 1.00 51.44 C ATOM 2044 C TYR A 132 9.833 -1.076 -5.343 1.00 52.21 C ATOM 2045 O TYR A 132 9.417 -0.280 -6.196 1.00 64.34 O ATOM 2046 CB TYR A 132 10.359 -3.431 -6.193 1.00 34.45 C ATOM 2047 CG TYR A 132 10.347 -3.158 -7.713 1.00 42.44 C ATOM 2048 CD1 TYR A 132 9.396 -3.758 -8.541 1.00 12.02 C ATOM 2049 CD2 TYR A 132 11.276 -2.299 -8.314 1.00 33.54 C ATOM 2050 CE1 TYR A 132 9.370 -3.521 -9.899 1.00 72.42 C ATOM 2051 CE2 TYR A 132 11.252 -2.057 -9.673 1.00 24.53 C ATOM 2052 CZ TYR A 132 10.297 -2.670 -10.462 1.00 22.53 C ATOM 2053 OH TYR A 132 10.272 -2.433 -11.817 1.00 53.34 O ATOM 0 H TYR A 132 7.815 -2.025 -6.652 1.00 0.41 H new ATOM 0 HA TYR A 132 9.408 -2.917 -4.331 1.00 51.44 H new ATOM 0 HB2 TYR A 132 11.373 -3.283 -5.821 1.00 34.45 H new ATOM 0 HB3 TYR A 132 10.108 -4.478 -6.025 1.00 34.45 H new ATOM 0 HD1 TYR A 132 8.664 -4.423 -8.108 1.00 12.02 H new ATOM 0 HD2 TYR A 132 12.025 -1.817 -7.703 1.00 33.54 H new ATOM 0 HE1 TYR A 132 8.627 -4.000 -10.519 1.00 72.42 H new ATOM 0 HE2 TYR A 132 11.977 -1.391 -10.118 1.00 24.53 H new ATOM 0 HH TYR A 132 10.991 -1.810 -12.053 1.00 53.34 H new ATOM 2063 N PHE A 133 10.677 -0.728 -4.364 1.00 62.11 N ATOM 2064 CA PHE A 133 11.361 0.572 -4.331 1.00 72.34 C ATOM 2065 C PHE A 133 12.519 0.569 -5.353 1.00 2.11 C ATOM 2066 O PHE A 133 13.150 -0.474 -5.579 1.00 22.10 O ATOM 2067 CB PHE A 133 11.874 0.886 -2.898 1.00 61.25 C ATOM 2068 CG PHE A 133 12.632 2.212 -2.775 1.00 4.32 C ATOM 2069 CD1 PHE A 133 11.966 3.428 -2.925 1.00 10.12 C ATOM 2070 CD2 PHE A 133 14.010 2.244 -2.538 1.00 4.04 C ATOM 2071 CE1 PHE A 133 12.643 4.628 -2.840 1.00 2.12 C ATOM 2072 CE2 PHE A 133 14.687 3.447 -2.456 1.00 5.22 C ATOM 2073 CZ PHE A 133 14.006 4.639 -2.607 1.00 70.02 C ATOM 0 H PHE A 133 10.905 -1.335 -3.577 1.00 62.11 H new ATOM 0 HA PHE A 133 10.656 1.357 -4.604 1.00 72.34 H new ATOM 0 HB2 PHE A 133 11.024 0.903 -2.216 1.00 61.25 H new ATOM 0 HB3 PHE A 133 12.527 0.076 -2.573 1.00 61.25 H new ATOM 0 HD1 PHE A 133 10.902 3.431 -3.111 1.00 10.12 H new ATOM 0 HD2 PHE A 133 14.552 1.318 -2.418 1.00 4.04 H new ATOM 0 HE1 PHE A 133 12.108 5.559 -2.956 1.00 2.12 H new ATOM 0 HE2 PHE A 133 15.751 3.454 -2.273 1.00 5.22 H new ATOM 0 HZ PHE A 133 14.537 5.577 -2.543 1.00 70.02 H new ATOM 2083 N ARG A 134 12.770 1.736 -5.976 1.00 74.24 N ATOM 2084 CA ARG A 134 13.882 1.913 -6.937 1.00 51.23 C ATOM 2085 C ARG A 134 15.253 1.780 -6.217 1.00 44.01 C ATOM 2086 O ARG A 134 15.771 2.748 -5.648 1.00 2.51 O ATOM 2087 CB ARG A 134 13.754 3.279 -7.673 1.00 70.20 C ATOM 2088 CG ARG A 134 12.457 3.442 -8.510 1.00 74.41 C ATOM 2089 CD ARG A 134 12.291 2.344 -9.590 1.00 24.22 C ATOM 2090 NE ARG A 134 13.487 2.219 -10.453 1.00 72.12 N ATOM 2091 CZ ARG A 134 13.597 2.627 -11.702 1.00 53.14 C ATOM 2092 NH1 ARG A 134 12.633 3.250 -12.302 1.00 61.21 N ATOM 2093 NH2 ARG A 134 14.697 2.424 -12.335 1.00 54.20 N ATOM 0 H ARG A 134 12.214 2.579 -5.831 1.00 74.24 H new ATOM 0 HA ARG A 134 13.825 1.124 -7.687 1.00 51.23 H new ATOM 0 HB2 ARG A 134 13.798 4.080 -6.935 1.00 70.20 H new ATOM 0 HB3 ARG A 134 14.614 3.404 -8.331 1.00 70.20 H new ATOM 0 HG2 ARG A 134 11.595 3.420 -7.843 1.00 74.41 H new ATOM 0 HG3 ARG A 134 12.463 4.420 -8.992 1.00 74.41 H new ATOM 0 HD2 ARG A 134 12.094 1.388 -9.105 1.00 24.22 H new ATOM 0 HD3 ARG A 134 11.423 2.573 -10.208 1.00 24.22 H new ATOM 0 HE ARG A 134 14.307 1.773 -10.041 1.00 72.12 H new ATOM 0 HH11 ARG A 134 11.761 3.437 -11.808 1.00 61.21 H new ATOM 0 HH12 ARG A 134 12.746 3.554 -13.269 1.00 61.21 H new ATOM 0 HH21 ARG A 134 15.473 1.952 -11.871 1.00 54.20 H new ATOM 0 HH22 ARG A 134 14.794 2.735 -13.302 1.00 54.20 H new ATOM 2107 N GLY A 135 15.789 0.542 -6.209 1.00 22.40 N ATOM 2108 CA GLY A 135 17.041 0.206 -5.506 1.00 23.41 C ATOM 2109 C GLY A 135 16.940 -1.067 -4.651 1.00 64.22 C ATOM 2110 O GLY A 135 17.952 -1.530 -4.109 1.00 75.31 O ATOM 0 H GLY A 135 15.365 -0.251 -6.690 1.00 22.40 H new ATOM 0 HA2 GLY A 135 17.838 0.080 -6.239 1.00 23.41 H new ATOM 0 HA3 GLY A 135 17.325 1.042 -4.867 1.00 23.41 H new ATOM 2114 N LEU A 136 15.718 -1.631 -4.512 1.00 25.21 N ATOM 2115 CA LEU A 136 15.472 -2.863 -3.721 1.00 42.53 C ATOM 2116 C LEU A 136 15.067 -4.052 -4.627 1.00 65.33 C ATOM 2117 O LEU A 136 13.990 -4.047 -5.242 1.00 64.43 O ATOM 2118 CB LEU A 136 14.379 -2.614 -2.638 1.00 22.22 C ATOM 2119 CG LEU A 136 14.766 -1.627 -1.488 1.00 32.53 C ATOM 2120 CD1 LEU A 136 13.608 -1.459 -0.477 1.00 71.25 C ATOM 2121 CD2 LEU A 136 16.071 -2.076 -0.777 1.00 54.31 C ATOM 0 H LEU A 136 14.876 -1.248 -4.943 1.00 25.21 H new ATOM 0 HA LEU A 136 16.407 -3.123 -3.225 1.00 42.53 H new ATOM 0 HB2 LEU A 136 13.486 -2.232 -3.133 1.00 22.22 H new ATOM 0 HB3 LEU A 136 14.112 -3.572 -2.193 1.00 22.22 H new ATOM 0 HG LEU A 136 14.953 -0.653 -1.940 1.00 32.53 H new ATOM 0 HD11 LEU A 136 13.909 -0.767 0.309 1.00 71.25 H new ATOM 0 HD12 LEU A 136 12.731 -1.065 -0.991 1.00 71.25 H new ATOM 0 HD13 LEU A 136 13.367 -2.426 -0.036 1.00 71.25 H new ATOM 0 HD21 LEU A 136 16.314 -1.370 0.017 1.00 54.31 H new ATOM 0 HD22 LEU A 136 15.929 -3.069 -0.350 1.00 54.31 H new ATOM 0 HD23 LEU A 136 16.887 -2.105 -1.499 1.00 54.31 H new ATOM 2133 N GLU A 137 15.948 -5.069 -4.692 1.00 45.42 N ATOM 2134 CA GLU A 137 15.680 -6.349 -5.384 1.00 50.45 C ATOM 2135 C GLU A 137 14.906 -7.319 -4.455 1.00 41.31 C ATOM 2136 O GLU A 137 14.868 -7.136 -3.232 1.00 61.33 O ATOM 2137 CB GLU A 137 17.016 -7.008 -5.828 1.00 31.50 C ATOM 2138 CG GLU A 137 17.895 -6.140 -6.755 1.00 61.53 C ATOM 2139 CD GLU A 137 19.174 -6.869 -7.215 1.00 43.12 C ATOM 2140 OE1 GLU A 137 20.145 -6.945 -6.428 1.00 34.22 O ATOM 2141 OE2 GLU A 137 19.207 -7.391 -8.353 1.00 45.42 O ATOM 0 H GLU A 137 16.873 -5.027 -4.263 1.00 45.42 H new ATOM 0 HA GLU A 137 15.071 -6.141 -6.264 1.00 50.45 H new ATOM 0 HB2 GLU A 137 17.592 -7.261 -4.938 1.00 31.50 H new ATOM 0 HB3 GLU A 137 16.790 -7.944 -6.338 1.00 31.50 H new ATOM 0 HG2 GLU A 137 17.314 -5.846 -7.630 1.00 61.53 H new ATOM 0 HG3 GLU A 137 18.171 -5.224 -6.234 1.00 61.53 H new ATOM 2148 N HIS A 138 14.277 -8.344 -5.052 1.00 44.02 N ATOM 2149 CA HIS A 138 13.595 -9.432 -4.302 1.00 34.34 C ATOM 2150 C HIS A 138 14.106 -10.816 -4.797 1.00 1.04 C ATOM 2151 O HIS A 138 14.401 -11.705 -3.983 1.00 23.22 O ATOM 2152 CB HIS A 138 12.049 -9.329 -4.454 1.00 43.25 C ATOM 2153 CG HIS A 138 11.415 -8.089 -3.859 1.00 25.20 C ATOM 2154 ND1 HIS A 138 10.784 -8.090 -2.634 1.00 61.24 N ATOM 2155 CD2 HIS A 138 11.264 -6.827 -4.347 1.00 5.15 C ATOM 2156 CE1 HIS A 138 10.265 -6.900 -2.397 1.00 72.12 C ATOM 2157 NE2 HIS A 138 10.542 -6.114 -3.418 1.00 44.40 N ATOM 0 H HIS A 138 14.222 -8.450 -6.065 1.00 44.02 H new ATOM 0 HA HIS A 138 13.832 -9.327 -3.243 1.00 34.34 H new ATOM 0 HB2 HIS A 138 11.803 -9.368 -5.515 1.00 43.25 H new ATOM 0 HB3 HIS A 138 11.597 -10.205 -3.989 1.00 43.25 H new ATOM 0 HD2 HIS A 138 11.641 -6.455 -5.288 1.00 5.15 H new ATOM 0 HE1 HIS A 138 9.708 -6.618 -1.516 1.00 72.12 H new ATOM 0 HE2 HIS A 138 10.266 -5.136 -3.505 1.00 44.40 H new ATOM 2166 N HIS A 139 14.178 -10.970 -6.149 1.00 31.45 N ATOM 2167 CA HIS A 139 14.781 -12.139 -6.848 1.00 3.43 C ATOM 2168 C HIS A 139 14.163 -13.491 -6.372 1.00 61.40 C ATOM 2169 O HIS A 139 14.870 -14.367 -5.865 1.00 74.20 O ATOM 2170 CB HIS A 139 16.337 -12.106 -6.676 1.00 53.12 C ATOM 2171 CG HIS A 139 17.123 -12.851 -7.736 1.00 1.51 C ATOM 2172 ND1 HIS A 139 17.989 -12.220 -8.601 1.00 50.31 N ATOM 2173 CD2 HIS A 139 17.204 -14.172 -8.040 1.00 42.51 C ATOM 2174 CE1 HIS A 139 18.564 -13.106 -9.380 1.00 1.15 C ATOM 2175 NE2 HIS A 139 18.110 -14.301 -9.064 1.00 31.50 N ATOM 0 H HIS A 139 13.811 -10.271 -6.795 1.00 31.45 H new ATOM 0 HA HIS A 139 14.549 -12.067 -7.911 1.00 3.43 H new ATOM 0 HB2 HIS A 139 16.663 -11.066 -6.670 1.00 53.12 H new ATOM 0 HB3 HIS A 139 16.587 -12.524 -5.701 1.00 53.12 H new ATOM 0 HD2 HIS A 139 16.657 -14.973 -7.565 1.00 42.51 H new ATOM 0 HE1 HIS A 139 19.289 -12.891 -10.151 1.00 1.15 H new ATOM 0 HE2 HIS A 139 18.386 -15.178 -9.507 1.00 31.50 H new ATOM 2184 N HIS A 140 12.840 -13.645 -6.546 1.00 3.03 N ATOM 2185 CA HIS A 140 12.089 -14.794 -5.982 1.00 63.35 C ATOM 2186 C HIS A 140 12.342 -16.121 -6.739 1.00 51.13 C ATOM 2187 O HIS A 140 12.772 -16.135 -7.897 1.00 45.31 O ATOM 2188 CB HIS A 140 10.570 -14.485 -5.936 1.00 24.00 C ATOM 2189 CG HIS A 140 9.856 -14.459 -7.271 1.00 54.44 C ATOM 2190 ND1 HIS A 140 9.722 -13.323 -8.032 1.00 4.15 N ATOM 2191 CD2 HIS A 140 9.208 -15.436 -7.959 1.00 70.43 C ATOM 2192 CE1 HIS A 140 9.024 -13.593 -9.116 1.00 60.52 C ATOM 2193 NE2 HIS A 140 8.706 -14.865 -9.098 1.00 4.22 N ATOM 0 H HIS A 140 12.262 -12.990 -7.073 1.00 3.03 H new ATOM 0 HA HIS A 140 12.464 -14.935 -4.968 1.00 63.35 H new ATOM 0 HB2 HIS A 140 10.087 -15.229 -5.303 1.00 24.00 H new ATOM 0 HB3 HIS A 140 10.431 -13.518 -5.453 1.00 24.00 H new ATOM 0 HD1 HIS A 140 10.105 -12.408 -7.794 1.00 4.15 H new ATOM 0 HD2 HIS A 140 9.108 -16.470 -7.663 1.00 70.43 H new ATOM 0 HE1 HIS A 140 8.759 -12.887 -9.889 1.00 60.52 H new ATOM 2202 N HIS A 141 12.067 -17.236 -6.045 1.00 55.05 N ATOM 2203 CA HIS A 141 12.099 -18.605 -6.612 1.00 34.45 C ATOM 2204 C HIS A 141 10.721 -19.290 -6.409 1.00 33.54 C ATOM 2205 O HIS A 141 9.918 -18.852 -5.578 1.00 71.40 O ATOM 2206 CB HIS A 141 13.233 -19.442 -5.942 1.00 42.03 C ATOM 2207 CG HIS A 141 14.640 -18.956 -6.232 1.00 73.45 C ATOM 2208 ND1 HIS A 141 15.562 -19.701 -6.937 1.00 1.35 N ATOM 2209 CD2 HIS A 141 15.282 -17.806 -5.898 1.00 74.10 C ATOM 2210 CE1 HIS A 141 16.698 -19.037 -7.024 1.00 35.42 C ATOM 2211 NE2 HIS A 141 16.556 -17.883 -6.404 1.00 71.21 N ATOM 0 H HIS A 141 11.811 -17.218 -5.058 1.00 55.05 H new ATOM 0 HA HIS A 141 12.306 -18.544 -7.680 1.00 34.45 H new ATOM 0 HB2 HIS A 141 13.078 -19.439 -4.863 1.00 42.03 H new ATOM 0 HB3 HIS A 141 13.146 -20.477 -6.274 1.00 42.03 H new ATOM 0 HD2 HIS A 141 14.866 -16.982 -5.337 1.00 74.10 H new ATOM 0 HE1 HIS A 141 17.594 -19.381 -7.520 1.00 35.42 H new ATOM 0 HE2 HIS A 141 17.275 -17.165 -6.315 1.00 71.21 H new ATOM 2220 N HIS A 142 10.449 -20.355 -7.185 1.00 40.44 N ATOM 2221 CA HIS A 142 9.180 -21.128 -7.090 1.00 20.11 C ATOM 2222 C HIS A 142 9.363 -22.379 -6.194 1.00 4.42 C ATOM 2223 O HIS A 142 10.410 -23.029 -6.240 1.00 4.42 O ATOM 2224 CB HIS A 142 8.702 -21.552 -8.502 1.00 53.21 C ATOM 2225 CG HIS A 142 8.524 -20.415 -9.474 1.00 4.14 C ATOM 2226 ND1 HIS A 142 8.742 -20.546 -10.827 1.00 72.22 N ATOM 2227 CD2 HIS A 142 8.139 -19.130 -9.290 1.00 53.51 C ATOM 2228 CE1 HIS A 142 8.501 -19.406 -11.430 1.00 71.42 C ATOM 2229 NE2 HIS A 142 8.134 -18.530 -10.522 1.00 25.50 N ATOM 0 H HIS A 142 11.092 -20.708 -7.893 1.00 40.44 H new ATOM 0 HA HIS A 142 8.424 -20.487 -6.637 1.00 20.11 H new ATOM 0 HB2 HIS A 142 9.421 -22.258 -8.917 1.00 53.21 H new ATOM 0 HB3 HIS A 142 7.754 -22.082 -8.406 1.00 53.21 H new ATOM 0 HD2 HIS A 142 7.884 -18.665 -8.349 1.00 53.51 H new ATOM 0 HE1 HIS A 142 8.589 -19.220 -12.490 1.00 71.42 H new ATOM 0 HE2 HIS A 142 7.885 -17.558 -10.705 1.00 25.50 H new ATOM 2238 N HIS A 143 8.334 -22.715 -5.392 1.00 41.22 N ATOM 2239 CA HIS A 143 8.357 -23.914 -4.514 1.00 35.45 C ATOM 2240 C HIS A 143 6.941 -24.487 -4.347 1.00 2.24 C ATOM 2241 O HIS A 143 6.283 -24.870 -5.318 1.00 71.20 O ATOM 2242 CB HIS A 143 8.973 -23.560 -3.135 1.00 0.01 C ATOM 2243 CG HIS A 143 9.213 -24.748 -2.236 1.00 53.13 C ATOM 2244 ND1 HIS A 143 8.372 -25.094 -1.199 1.00 10.02 N ATOM 2245 CD2 HIS A 143 10.205 -25.673 -2.225 1.00 71.13 C ATOM 2246 CE1 HIS A 143 8.831 -26.166 -0.593 1.00 51.33 C ATOM 2247 NE2 HIS A 143 9.937 -26.536 -1.195 1.00 41.33 N ATOM 0 H HIS A 143 7.471 -22.174 -5.330 1.00 41.22 H new ATOM 0 HA HIS A 143 8.979 -24.677 -4.983 1.00 35.45 H new ATOM 0 HB2 HIS A 143 9.920 -23.044 -3.295 1.00 0.01 H new ATOM 0 HB3 HIS A 143 8.311 -22.861 -2.624 1.00 0.01 H new ATOM 0 HD2 HIS A 143 11.047 -25.720 -2.900 1.00 71.13 H new ATOM 0 HE1 HIS A 143 8.376 -26.658 0.254 1.00 51.33 H new ATOM 0 HE2 HIS A 143 10.508 -27.341 -0.936 1.00 41.33 H new TER 2256 HIS A 143