USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1001 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 HD1:sc= -0.358 K(o=0.96,f=-0.28) USER MOD Set 1.2: A 115 TYR OH : rot 176:sc= 1.32 USER MOD Set 2.1: A 64 TYR OH : rot 12:sc= 0.724 USER MOD Set 2.2: A 84 HIS : no HD1:sc= 0.157 K(o=0.88,f=-3.4) USER MOD Set 3.1: A 30 TYR OH : rot 22:sc= 0.393 USER MOD Set 3.2: A 32 MET CE :methyl 160:sc= 0 (180deg=-0.18) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.532 K(o=-0.53,f=0) USER MOD Single : A 22 TYR OH : rot -85:sc= 1.24 USER MOD Single : A 24 GLN : amide:sc= -0.197 K(o=-0.2,f=-0.92!) USER MOD Single : A 28 ASN : amide:sc= -0.766 K(o=-0.77,f=-1.7) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -109:sc= 0.209 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.0372 USER MOD Single : A 42 SER OG : rot 80:sc= 1.6 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -96:sc= 0.443 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.371 X(o=-0.37,f=0) USER MOD Single : A 71 ASN : amide:sc= 0.0204 X(o=0.02,f=-0.15) USER MOD Single : A 72 ASN : amide:sc= -0.0104 K(o=-0.01,f=-6.8!) USER MOD Single : A 74 HIS : no HD1:sc= -0.585 K(o=-0.59,f=-0.03) USER MOD Single : A 75 ASN : amide:sc= -0.414 K(o=-0.41,f=-1.1) USER MOD Single : A 81 ASN : amide:sc= -0.205 K(o=-0.2,f=-1.3) USER MOD Single : A 83 LYS NZ :NH3+ -130:sc= -0.437 (180deg=-2.27!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 74:sc= 0.568 USER MOD Single : A 103 TYR OH : rot 107:sc= 1.13 USER MOD Single : A 104 HIS : no HD1:sc= -0.0597 X(o=-0.06,f=0.0047) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -4.86! K(o=-4.9!,f=-1.2) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot -157:sc= 0.403 USER MOD Single : A 121 TYR OH : rot -130:sc= -0.143 USER MOD Single : A 122 THR OG1 : rot 32:sc= 0.127 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -1.18 K(o=-1.2,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 10.709 -8.499 -8.954 1.00 23.03 N ATOM 21 CA PRO A 2 9.227 -8.606 -8.768 1.00 73.14 C ATOM 22 C PRO A 2 8.725 -10.063 -8.484 1.00 65.13 C ATOM 23 O PRO A 2 8.874 -10.958 -9.322 1.00 32.21 O ATOM 24 CB PRO A 2 8.674 -8.058 -10.114 1.00 31.42 C ATOM 25 CG PRO A 2 9.722 -8.396 -11.126 1.00 44.44 C ATOM 26 CD PRO A 2 11.047 -8.293 -10.401 1.00 13.44 C ATOM 0 HA PRO A 2 8.886 -8.057 -7.890 1.00 73.14 H new ATOM 0 HB2 PRO A 2 7.719 -8.519 -10.366 1.00 31.42 H new ATOM 0 HB3 PRO A 2 8.506 -6.982 -10.063 1.00 31.42 H new ATOM 0 HG2 PRO A 2 9.571 -9.400 -11.524 1.00 44.44 H new ATOM 0 HG3 PRO A 2 9.685 -7.709 -11.971 1.00 44.44 H new ATOM 0 HD2 PRO A 2 11.751 -9.047 -10.754 1.00 13.44 H new ATOM 0 HD3 PRO A 2 11.513 -7.321 -10.564 1.00 13.44 H new ATOM 34 N LEU A 3 8.147 -10.279 -7.286 1.00 11.54 N ATOM 35 CA LEU A 3 7.507 -11.566 -6.901 1.00 51.44 C ATOM 36 C LEU A 3 5.973 -11.440 -7.097 1.00 51.23 C ATOM 37 O LEU A 3 5.376 -10.467 -6.653 1.00 32.33 O ATOM 38 CB LEU A 3 7.863 -11.921 -5.413 1.00 1.21 C ATOM 39 CG LEU A 3 7.994 -13.447 -5.040 1.00 61.44 C ATOM 40 CD1 LEU A 3 8.300 -13.625 -3.537 1.00 14.21 C ATOM 41 CD2 LEU A 3 6.762 -14.290 -5.454 1.00 2.21 C ATOM 0 H LEU A 3 8.107 -9.570 -6.554 1.00 11.54 H new ATOM 0 HA LEU A 3 7.879 -12.373 -7.532 1.00 51.44 H new ATOM 0 HB2 LEU A 3 8.806 -11.433 -5.167 1.00 1.21 H new ATOM 0 HB3 LEU A 3 7.100 -11.482 -4.771 1.00 1.21 H new ATOM 0 HG LEU A 3 8.834 -13.828 -5.620 1.00 61.44 H new ATOM 0 HD11 LEU A 3 8.385 -14.687 -3.306 1.00 14.21 H new ATOM 0 HD12 LEU A 3 9.238 -13.125 -3.295 1.00 14.21 H new ATOM 0 HD13 LEU A 3 7.493 -13.189 -2.947 1.00 14.21 H new ATOM 0 HD21 LEU A 3 6.920 -15.330 -5.167 1.00 2.21 H new ATOM 0 HD22 LEU A 3 5.873 -13.906 -4.953 1.00 2.21 H new ATOM 0 HD23 LEU A 3 6.625 -14.228 -6.534 1.00 2.21 H new ATOM 53 N GLU A 4 5.346 -12.433 -7.745 1.00 43.14 N ATOM 54 CA GLU A 4 3.887 -12.411 -8.041 1.00 70.41 C ATOM 55 C GLU A 4 3.151 -13.621 -7.431 1.00 10.44 C ATOM 56 O GLU A 4 3.719 -14.715 -7.310 1.00 1.13 O ATOM 57 CB GLU A 4 3.627 -12.358 -9.573 1.00 4.32 C ATOM 58 CG GLU A 4 4.118 -13.571 -10.395 1.00 14.02 C ATOM 59 CD GLU A 4 5.645 -13.627 -10.613 1.00 75.32 C ATOM 60 OE1 GLU A 4 6.139 -12.985 -11.563 1.00 42.44 O ATOM 61 OE2 GLU A 4 6.358 -14.312 -9.839 1.00 1.35 O ATOM 0 H GLU A 4 5.821 -13.271 -8.080 1.00 43.14 H new ATOM 0 HA GLU A 4 3.491 -11.507 -7.579 1.00 70.41 H new ATOM 0 HB2 GLU A 4 2.555 -12.248 -9.734 1.00 4.32 H new ATOM 0 HB3 GLU A 4 4.103 -11.461 -9.970 1.00 4.32 H new ATOM 0 HG2 GLU A 4 3.803 -14.485 -9.892 1.00 14.02 H new ATOM 0 HG3 GLU A 4 3.626 -13.557 -11.368 1.00 14.02 H new ATOM 68 N TRP A 5 1.879 -13.405 -7.038 1.00 0.50 N ATOM 69 CA TRP A 5 0.983 -14.495 -6.606 1.00 60.44 C ATOM 70 C TRP A 5 0.043 -14.931 -7.749 1.00 65.22 C ATOM 71 O TRP A 5 -0.545 -14.103 -8.451 1.00 72.21 O ATOM 72 CB TRP A 5 0.141 -14.107 -5.362 1.00 32.13 C ATOM 73 CG TRP A 5 -0.635 -15.283 -4.807 1.00 71.34 C ATOM 74 CD1 TRP A 5 -0.110 -16.380 -4.193 1.00 71.14 C ATOM 75 CD2 TRP A 5 -2.057 -15.502 -4.854 1.00 51.24 C ATOM 76 NE1 TRP A 5 -1.100 -17.266 -3.882 1.00 44.43 N ATOM 77 CE2 TRP A 5 -2.302 -16.750 -4.257 1.00 4.41 C ATOM 78 CE3 TRP A 5 -3.139 -14.768 -5.335 1.00 44.05 C ATOM 79 CZ2 TRP A 5 -3.580 -17.288 -4.137 1.00 71.42 C ATOM 80 CZ3 TRP A 5 -4.409 -15.301 -5.213 1.00 25.12 C ATOM 81 CH2 TRP A 5 -4.621 -16.549 -4.616 1.00 12.13 C ATOM 0 H TRP A 5 1.449 -12.481 -7.011 1.00 0.50 H new ATOM 0 HA TRP A 5 1.627 -15.330 -6.332 1.00 60.44 H new ATOM 0 HB2 TRP A 5 0.799 -13.711 -4.589 1.00 32.13 H new ATOM 0 HB3 TRP A 5 -0.553 -13.310 -5.629 1.00 32.13 H new ATOM 0 HD1 TRP A 5 0.939 -16.527 -3.983 1.00 71.14 H new ATOM 0 HE1 TRP A 5 -0.961 -18.174 -3.438 1.00 44.43 H new ATOM 0 HE3 TRP A 5 -2.989 -13.802 -5.794 1.00 44.05 H new ATOM 0 HZ2 TRP A 5 -3.741 -18.254 -3.682 1.00 71.42 H new ATOM 0 HZ3 TRP A 5 -5.255 -14.743 -5.586 1.00 25.12 H new ATOM 0 HH2 TRP A 5 -5.627 -16.933 -4.533 1.00 12.13 H new ATOM 92 N ARG A 6 -0.098 -16.252 -7.888 1.00 22.02 N ATOM 93 CA ARG A 6 -0.967 -16.896 -8.890 1.00 63.12 C ATOM 94 C ARG A 6 -1.765 -18.056 -8.247 1.00 52.25 C ATOM 95 O ARG A 6 -1.457 -18.500 -7.133 1.00 13.41 O ATOM 96 CB ARG A 6 -0.138 -17.406 -10.115 1.00 21.21 C ATOM 97 CG ARG A 6 1.087 -18.312 -9.789 1.00 30.54 C ATOM 98 CD ARG A 6 2.313 -17.509 -9.305 1.00 4.14 C ATOM 99 NE ARG A 6 3.467 -18.364 -8.986 1.00 64.45 N ATOM 100 CZ ARG A 6 4.726 -17.976 -8.977 1.00 62.22 C ATOM 101 NH1 ARG A 6 5.060 -16.754 -9.251 1.00 33.21 N ATOM 102 NH2 ARG A 6 5.649 -18.821 -8.675 1.00 32.41 N ATOM 0 H ARG A 6 0.396 -16.921 -7.298 1.00 22.02 H new ATOM 0 HA ARG A 6 -1.673 -16.150 -9.255 1.00 63.12 H new ATOM 0 HB2 ARG A 6 -0.807 -17.959 -10.775 1.00 21.21 H new ATOM 0 HB3 ARG A 6 0.216 -16.539 -10.673 1.00 21.21 H new ATOM 0 HG2 ARG A 6 0.805 -19.034 -9.022 1.00 30.54 H new ATOM 0 HG3 ARG A 6 1.359 -18.881 -10.678 1.00 30.54 H new ATOM 0 HD2 ARG A 6 2.599 -16.793 -10.075 1.00 4.14 H new ATOM 0 HD3 ARG A 6 2.038 -16.933 -8.421 1.00 4.14 H new ATOM 0 HE ARG A 6 3.276 -19.338 -8.752 1.00 64.45 H new ATOM 0 HH11 ARG A 6 4.341 -16.068 -9.480 1.00 33.21 H new ATOM 0 HH12 ARG A 6 6.042 -16.478 -9.237 1.00 33.21 H new ATOM 0 HH21 ARG A 6 5.403 -19.784 -8.445 1.00 32.41 H new ATOM 0 HH22 ARG A 6 6.626 -18.528 -8.666 1.00 32.41 H new ATOM 116 N ALA A 7 -2.777 -18.548 -8.980 1.00 30.34 N ATOM 117 CA ALA A 7 -3.567 -19.730 -8.573 1.00 44.31 C ATOM 118 C ALA A 7 -2.692 -21.008 -8.620 1.00 53.25 C ATOM 119 O ALA A 7 -1.981 -21.246 -9.603 1.00 5.44 O ATOM 120 CB ALA A 7 -4.809 -19.881 -9.469 1.00 2.33 C ATOM 0 H ALA A 7 -3.073 -18.142 -9.868 1.00 30.34 H new ATOM 0 HA ALA A 7 -3.904 -19.587 -7.546 1.00 44.31 H new ATOM 0 HB1 ALA A 7 -5.379 -20.756 -9.156 1.00 2.33 H new ATOM 0 HB2 ALA A 7 -5.432 -18.991 -9.380 1.00 2.33 H new ATOM 0 HB3 ALA A 7 -4.497 -20.004 -10.506 1.00 2.33 H new ATOM 126 N GLY A 8 -2.754 -21.819 -7.549 1.00 73.25 N ATOM 127 CA GLY A 8 -1.922 -23.028 -7.426 1.00 11.12 C ATOM 128 C GLY A 8 -0.618 -22.825 -6.638 1.00 4.11 C ATOM 129 O GLY A 8 0.128 -23.789 -6.434 1.00 43.44 O ATOM 0 H GLY A 8 -3.373 -21.658 -6.755 1.00 73.25 H new ATOM 0 HA2 GLY A 8 -2.507 -23.809 -6.941 1.00 11.12 H new ATOM 0 HA3 GLY A 8 -1.676 -23.388 -8.425 1.00 11.12 H new ATOM 133 N ALA A 9 -0.327 -21.571 -6.211 1.00 60.00 N ATOM 134 CA ALA A 9 0.858 -21.255 -5.371 1.00 43.35 C ATOM 135 C ALA A 9 0.812 -21.980 -3.998 1.00 14.33 C ATOM 136 O ALA A 9 -0.271 -22.220 -3.446 1.00 74.52 O ATOM 137 CB ALA A 9 0.976 -19.731 -5.179 1.00 75.24 C ATOM 0 H ALA A 9 -0.900 -20.757 -6.436 1.00 60.00 H new ATOM 0 HA ALA A 9 1.742 -21.620 -5.894 1.00 43.35 H new ATOM 0 HB1 ALA A 9 1.847 -19.508 -4.562 1.00 75.24 H new ATOM 0 HB2 ALA A 9 1.087 -19.249 -6.151 1.00 75.24 H new ATOM 0 HB3 ALA A 9 0.078 -19.356 -4.688 1.00 75.24 H new ATOM 143 N SER A 10 2.002 -22.286 -3.440 1.00 55.52 N ATOM 144 CA SER A 10 2.133 -23.068 -2.179 1.00 34.01 C ATOM 145 C SER A 10 1.935 -22.166 -0.942 1.00 71.42 C ATOM 146 O SER A 10 2.049 -20.949 -1.040 1.00 65.21 O ATOM 147 CB SER A 10 3.524 -23.749 -2.109 1.00 72.13 C ATOM 148 OG SER A 10 3.745 -24.614 -3.215 1.00 13.14 O ATOM 0 H SER A 10 2.896 -22.004 -3.842 1.00 55.52 H new ATOM 0 HA SER A 10 1.356 -23.832 -2.179 1.00 34.01 H new ATOM 0 HB2 SER A 10 4.302 -22.985 -2.084 1.00 72.13 H new ATOM 0 HB3 SER A 10 3.604 -24.317 -1.182 1.00 72.13 H new ATOM 0 HG SER A 10 4.632 -25.024 -3.138 1.00 13.14 H new ATOM 154 N SER A 11 1.648 -22.787 0.216 1.00 2.33 N ATOM 155 CA SER A 11 1.352 -22.070 1.485 1.00 24.01 C ATOM 156 C SER A 11 2.503 -21.126 1.922 1.00 54.30 C ATOM 157 O SER A 11 2.265 -19.944 2.186 1.00 4.24 O ATOM 158 CB SER A 11 1.053 -23.093 2.606 1.00 4.14 C ATOM 159 OG SER A 11 2.122 -24.017 2.757 1.00 32.32 O ATOM 0 H SER A 11 1.613 -23.802 0.306 1.00 2.33 H new ATOM 0 HA SER A 11 0.478 -21.444 1.306 1.00 24.01 H new ATOM 0 HB2 SER A 11 0.887 -22.568 3.547 1.00 4.14 H new ATOM 0 HB3 SER A 11 0.134 -23.631 2.375 1.00 4.14 H new ATOM 0 HG SER A 11 1.908 -24.651 3.473 1.00 32.32 H new ATOM 165 N ASP A 12 3.744 -21.646 1.948 1.00 2.40 N ATOM 166 CA ASP A 12 4.953 -20.854 2.296 1.00 1.21 C ATOM 167 C ASP A 12 5.267 -19.773 1.231 1.00 72.31 C ATOM 168 O ASP A 12 5.850 -18.730 1.559 1.00 31.33 O ATOM 169 CB ASP A 12 6.169 -21.783 2.490 1.00 23.43 C ATOM 170 CG ASP A 12 5.978 -22.770 3.653 1.00 42.11 C ATOM 171 OD1 ASP A 12 5.295 -23.798 3.463 1.00 2.13 O ATOM 172 OD2 ASP A 12 6.504 -22.517 4.760 1.00 2.32 O ATOM 0 H ASP A 12 3.944 -22.622 1.730 1.00 2.40 H new ATOM 0 HA ASP A 12 4.744 -20.339 3.233 1.00 1.21 H new ATOM 0 HB2 ASP A 12 6.346 -22.341 1.570 1.00 23.43 H new ATOM 0 HB3 ASP A 12 7.058 -21.179 2.673 1.00 23.43 H new ATOM 177 N GLU A 13 4.894 -20.035 -0.043 1.00 13.21 N ATOM 178 CA GLU A 13 4.978 -19.020 -1.124 1.00 11.23 C ATOM 179 C GLU A 13 4.045 -17.828 -0.819 1.00 63.14 C ATOM 180 O GLU A 13 4.473 -16.676 -0.879 1.00 24.34 O ATOM 181 CB GLU A 13 4.625 -19.625 -2.513 1.00 34.23 C ATOM 182 CG GLU A 13 5.595 -20.713 -3.017 1.00 55.32 C ATOM 183 CD GLU A 13 7.008 -20.185 -3.342 1.00 24.54 C ATOM 184 OE1 GLU A 13 7.862 -20.108 -2.432 1.00 43.24 O ATOM 185 OE2 GLU A 13 7.269 -19.842 -4.517 1.00 21.14 O ATOM 0 H GLU A 13 4.532 -20.938 -0.349 1.00 13.21 H new ATOM 0 HA GLU A 13 6.010 -18.671 -1.162 1.00 11.23 H new ATOM 0 HB2 GLU A 13 3.622 -20.049 -2.463 1.00 34.23 H new ATOM 0 HB3 GLU A 13 4.595 -18.819 -3.246 1.00 34.23 H new ATOM 0 HG2 GLU A 13 5.674 -21.494 -2.261 1.00 55.32 H new ATOM 0 HG3 GLU A 13 5.175 -21.175 -3.911 1.00 55.32 H new ATOM 192 N ILE A 14 2.777 -18.131 -0.457 1.00 25.24 N ATOM 193 CA ILE A 14 1.772 -17.096 -0.113 1.00 30.54 C ATOM 194 C ILE A 14 2.211 -16.295 1.136 1.00 62.52 C ATOM 195 O ILE A 14 2.102 -15.086 1.151 1.00 33.20 O ATOM 196 CB ILE A 14 0.322 -17.684 0.131 1.00 23.41 C ATOM 197 CG1 ILE A 14 -0.138 -18.564 -1.078 1.00 12.33 C ATOM 198 CG2 ILE A 14 -0.702 -16.540 0.403 1.00 61.22 C ATOM 199 CD1 ILE A 14 -1.595 -19.032 -1.043 1.00 45.41 C ATOM 0 H ILE A 14 2.424 -19.086 -0.395 1.00 25.24 H new ATOM 0 HA ILE A 14 1.718 -16.439 -0.981 1.00 30.54 H new ATOM 0 HB ILE A 14 0.363 -18.321 1.015 1.00 23.41 H new ATOM 0 HG12 ILE A 14 0.021 -17.998 -1.996 1.00 12.33 H new ATOM 0 HG13 ILE A 14 0.505 -19.442 -1.130 1.00 12.33 H new ATOM 0 HG21 ILE A 14 -1.691 -16.968 0.568 1.00 61.22 H new ATOM 0 HG22 ILE A 14 -0.397 -15.981 1.288 1.00 61.22 H new ATOM 0 HG23 ILE A 14 -0.735 -15.870 -0.456 1.00 61.22 H new ATOM 0 HD11 ILE A 14 -1.805 -19.633 -1.927 1.00 45.41 H new ATOM 0 HD12 ILE A 14 -1.763 -19.631 -0.148 1.00 45.41 H new ATOM 0 HD13 ILE A 14 -2.255 -18.165 -1.028 1.00 45.41 H new ATOM 211 N ASN A 15 2.724 -16.996 2.165 1.00 41.52 N ATOM 212 CA ASN A 15 3.214 -16.361 3.415 1.00 61.43 C ATOM 213 C ASN A 15 4.401 -15.394 3.151 1.00 41.14 C ATOM 214 O ASN A 15 4.520 -14.359 3.812 1.00 14.54 O ATOM 215 CB ASN A 15 3.625 -17.440 4.454 1.00 14.33 C ATOM 216 CG ASN A 15 2.478 -18.358 4.901 1.00 51.20 C ATOM 217 OD1 ASN A 15 2.693 -19.521 5.233 1.00 35.34 O ATOM 218 ND2 ASN A 15 1.255 -17.850 4.952 1.00 12.30 N ATOM 0 H ASN A 15 2.813 -18.012 2.159 1.00 41.52 H new ATOM 0 HA ASN A 15 2.391 -15.772 3.819 1.00 61.43 H new ATOM 0 HB2 ASN A 15 4.420 -18.053 4.029 1.00 14.33 H new ATOM 0 HB3 ASN A 15 4.040 -16.943 5.331 1.00 14.33 H new ATOM 0 HD21 ASN A 15 0.476 -18.427 5.270 1.00 12.30 H new ATOM 0 HD22 ASN A 15 1.093 -16.882 4.673 1.00 12.30 H new ATOM 225 N ALA A 16 5.261 -15.743 2.176 1.00 12.13 N ATOM 226 CA ALA A 16 6.390 -14.880 1.749 1.00 73.13 C ATOM 227 C ALA A 16 5.901 -13.658 0.934 1.00 21.00 C ATOM 228 O ALA A 16 6.503 -12.588 0.990 1.00 44.24 O ATOM 229 CB ALA A 16 7.399 -15.696 0.934 1.00 13.03 C ATOM 0 H ALA A 16 5.198 -16.622 1.663 1.00 12.13 H new ATOM 0 HA ALA A 16 6.878 -14.501 2.647 1.00 73.13 H new ATOM 0 HB1 ALA A 16 8.223 -15.053 0.626 1.00 13.03 H new ATOM 0 HB2 ALA A 16 7.785 -16.512 1.545 1.00 13.03 H new ATOM 0 HB3 ALA A 16 6.908 -16.104 0.051 1.00 13.03 H new ATOM 235 N ILE A 17 4.811 -13.843 0.175 1.00 23.53 N ATOM 236 CA ILE A 17 4.160 -12.774 -0.623 1.00 44.51 C ATOM 237 C ILE A 17 3.428 -11.761 0.296 1.00 61.24 C ATOM 238 O ILE A 17 3.551 -10.547 0.109 1.00 20.23 O ATOM 239 CB ILE A 17 3.196 -13.432 -1.684 1.00 62.32 C ATOM 240 CG1 ILE A 17 4.056 -14.166 -2.770 1.00 70.42 C ATOM 241 CG2 ILE A 17 2.208 -12.420 -2.319 1.00 41.43 C ATOM 242 CD1 ILE A 17 3.287 -15.058 -3.724 1.00 32.24 C ATOM 0 H ILE A 17 4.345 -14.747 0.092 1.00 23.53 H new ATOM 0 HA ILE A 17 4.918 -12.204 -1.161 1.00 44.51 H new ATOM 0 HB ILE A 17 2.567 -14.156 -1.167 1.00 62.32 H new ATOM 0 HG12 ILE A 17 4.589 -13.415 -3.353 1.00 70.42 H new ATOM 0 HG13 ILE A 17 4.809 -14.770 -2.264 1.00 70.42 H new ATOM 0 HG21 ILE A 17 1.573 -12.935 -3.040 1.00 41.43 H new ATOM 0 HG22 ILE A 17 1.588 -11.979 -1.539 1.00 41.43 H new ATOM 0 HG23 ILE A 17 2.768 -11.634 -2.825 1.00 41.43 H new ATOM 0 HD11 ILE A 17 3.978 -15.515 -4.432 1.00 32.24 H new ATOM 0 HD12 ILE A 17 2.776 -15.838 -3.160 1.00 32.24 H new ATOM 0 HD13 ILE A 17 2.553 -14.463 -4.267 1.00 32.24 H new ATOM 254 N ILE A 18 2.700 -12.290 1.296 1.00 30.11 N ATOM 255 CA ILE A 18 2.102 -11.502 2.401 1.00 22.03 C ATOM 256 C ILE A 18 3.197 -10.658 3.100 1.00 60.52 C ATOM 257 O ILE A 18 3.082 -9.439 3.230 1.00 51.55 O ATOM 258 CB ILE A 18 1.416 -12.457 3.466 1.00 54.41 C ATOM 259 CG1 ILE A 18 0.210 -13.241 2.860 1.00 31.44 C ATOM 260 CG2 ILE A 18 0.971 -11.685 4.723 1.00 15.31 C ATOM 261 CD1 ILE A 18 -0.431 -14.261 3.808 1.00 55.24 C ATOM 0 H ILE A 18 2.505 -13.289 1.365 1.00 30.11 H new ATOM 0 HA ILE A 18 1.343 -10.843 1.978 1.00 22.03 H new ATOM 0 HB ILE A 18 2.175 -13.182 3.760 1.00 54.41 H new ATOM 0 HG12 ILE A 18 -0.551 -12.526 2.549 1.00 31.44 H new ATOM 0 HG13 ILE A 18 0.546 -13.760 1.962 1.00 31.44 H new ATOM 0 HG21 ILE A 18 0.506 -12.374 5.428 1.00 15.31 H new ATOM 0 HG22 ILE A 18 1.839 -11.219 5.190 1.00 15.31 H new ATOM 0 HG23 ILE A 18 0.253 -10.915 4.442 1.00 15.31 H new ATOM 0 HD11 ILE A 18 -1.259 -14.757 3.302 1.00 55.24 H new ATOM 0 HD12 ILE A 18 0.312 -15.003 4.101 1.00 55.24 H new ATOM 0 HD13 ILE A 18 -0.802 -13.749 4.696 1.00 55.24 H new ATOM 273 N ARG A 19 4.277 -11.347 3.492 1.00 73.44 N ATOM 274 CA ARG A 19 5.433 -10.747 4.184 1.00 11.21 C ATOM 275 C ARG A 19 6.127 -9.660 3.340 1.00 64.15 C ATOM 276 O ARG A 19 6.482 -8.611 3.868 1.00 72.41 O ATOM 277 CB ARG A 19 6.434 -11.860 4.570 1.00 22.43 C ATOM 278 CG ARG A 19 7.782 -11.361 5.133 1.00 61.34 C ATOM 279 CD ARG A 19 8.635 -12.496 5.704 1.00 72.53 C ATOM 280 NE ARG A 19 10.005 -12.043 6.015 1.00 74.41 N ATOM 281 CZ ARG A 19 10.532 -11.940 7.212 1.00 71.41 C ATOM 282 NH1 ARG A 19 9.846 -12.218 8.280 1.00 72.44 N ATOM 283 NH2 ARG A 19 11.753 -11.556 7.328 1.00 25.14 N ATOM 0 H ARG A 19 4.377 -12.350 3.337 1.00 73.44 H new ATOM 0 HA ARG A 19 5.065 -10.253 5.083 1.00 11.21 H new ATOM 0 HB2 ARG A 19 5.966 -12.508 5.311 1.00 22.43 H new ATOM 0 HB3 ARG A 19 6.630 -12.473 3.690 1.00 22.43 H new ATOM 0 HG2 ARG A 19 8.337 -10.856 4.343 1.00 61.34 H new ATOM 0 HG3 ARG A 19 7.595 -10.623 5.913 1.00 61.34 H new ATOM 0 HD2 ARG A 19 8.166 -12.885 6.608 1.00 72.53 H new ATOM 0 HD3 ARG A 19 8.676 -13.317 4.988 1.00 72.53 H new ATOM 0 HE ARG A 19 10.597 -11.786 5.225 1.00 74.41 H new ATOM 0 HH11 ARG A 19 8.876 -12.524 8.198 1.00 72.44 H new ATOM 0 HH12 ARG A 19 10.277 -12.131 9.200 1.00 72.44 H new ATOM 0 HH21 ARG A 19 12.300 -11.336 6.495 1.00 25.14 H new ATOM 0 HH22 ARG A 19 12.175 -11.472 8.253 1.00 25.14 H new ATOM 297 N ALA A 20 6.291 -9.922 2.031 1.00 24.21 N ATOM 298 CA ALA A 20 6.931 -8.976 1.083 1.00 64.11 C ATOM 299 C ALA A 20 6.176 -7.626 1.035 1.00 51.11 C ATOM 300 O ALA A 20 6.782 -6.563 0.863 1.00 43.10 O ATOM 301 CB ALA A 20 7.016 -9.603 -0.318 1.00 54.32 C ATOM 0 H ALA A 20 5.986 -10.792 1.595 1.00 24.21 H new ATOM 0 HA ALA A 20 7.941 -8.774 1.438 1.00 64.11 H new ATOM 0 HB1 ALA A 20 7.487 -8.899 -1.004 1.00 54.32 H new ATOM 0 HB2 ALA A 20 7.608 -10.517 -0.272 1.00 54.32 H new ATOM 0 HB3 ALA A 20 6.013 -9.838 -0.673 1.00 54.32 H new ATOM 307 N VAL A 21 4.845 -7.705 1.227 1.00 74.53 N ATOM 308 CA VAL A 21 3.973 -6.527 1.359 1.00 62.21 C ATOM 309 C VAL A 21 4.274 -5.767 2.678 1.00 73.30 C ATOM 310 O VAL A 21 4.553 -4.581 2.649 1.00 23.30 O ATOM 311 CB VAL A 21 2.458 -6.941 1.313 1.00 33.35 C ATOM 312 CG1 VAL A 21 1.528 -5.728 1.529 1.00 34.45 C ATOM 313 CG2 VAL A 21 2.118 -7.677 -0.008 1.00 51.31 C ATOM 0 H VAL A 21 4.345 -8.592 1.295 1.00 74.53 H new ATOM 0 HA VAL A 21 4.178 -5.866 0.517 1.00 62.21 H new ATOM 0 HB VAL A 21 2.286 -7.634 2.137 1.00 33.35 H new ATOM 0 HG11 VAL A 21 0.489 -6.055 1.490 1.00 34.45 H new ATOM 0 HG12 VAL A 21 1.732 -5.282 2.502 1.00 34.45 H new ATOM 0 HG13 VAL A 21 1.705 -4.990 0.747 1.00 34.45 H new ATOM 0 HG21 VAL A 21 1.063 -7.951 -0.011 1.00 51.31 H new ATOM 0 HG22 VAL A 21 2.325 -7.021 -0.854 1.00 51.31 H new ATOM 0 HG23 VAL A 21 2.727 -8.577 -0.090 1.00 51.31 H new ATOM 323 N TYR A 22 4.255 -6.477 3.826 1.00 52.11 N ATOM 324 CA TYR A 22 4.495 -5.855 5.164 1.00 45.20 C ATOM 325 C TYR A 22 5.923 -5.268 5.310 1.00 40.11 C ATOM 326 O TYR A 22 6.129 -4.305 6.045 1.00 71.24 O ATOM 327 CB TYR A 22 4.195 -6.857 6.311 1.00 11.22 C ATOM 328 CG TYR A 22 2.694 -7.136 6.494 1.00 52.11 C ATOM 329 CD1 TYR A 22 1.893 -6.292 7.273 1.00 74.43 C ATOM 330 CD2 TYR A 22 2.076 -8.209 5.861 1.00 32.13 C ATOM 331 CE1 TYR A 22 0.536 -6.523 7.414 1.00 50.54 C ATOM 332 CE2 TYR A 22 0.720 -8.431 5.991 1.00 62.31 C ATOM 333 CZ TYR A 22 -0.043 -7.593 6.767 1.00 63.12 C ATOM 334 OH TYR A 22 -1.395 -7.810 6.875 1.00 0.11 O ATOM 0 H TYR A 22 4.077 -7.481 3.863 1.00 52.11 H new ATOM 0 HA TYR A 22 3.801 -5.018 5.240 1.00 45.20 H new ATOM 0 HB2 TYR A 22 4.711 -7.796 6.109 1.00 11.22 H new ATOM 0 HB3 TYR A 22 4.601 -6.465 7.243 1.00 11.22 H new ATOM 0 HD1 TYR A 22 2.342 -5.446 7.772 1.00 74.43 H new ATOM 0 HD2 TYR A 22 2.668 -8.881 5.257 1.00 32.13 H new ATOM 0 HE1 TYR A 22 -0.066 -5.869 8.027 1.00 50.54 H new ATOM 0 HE2 TYR A 22 0.258 -9.264 5.482 1.00 62.31 H new ATOM 0 HH TYR A 22 -1.580 -8.325 7.688 1.00 0.11 H new ATOM 344 N ARG A 23 6.898 -5.851 4.610 1.00 0.34 N ATOM 345 CA ARG A 23 8.291 -5.363 4.634 1.00 30.03 C ATOM 346 C ARG A 23 8.443 -4.044 3.848 1.00 50.44 C ATOM 347 O ARG A 23 9.061 -3.092 4.329 1.00 43.51 O ATOM 348 CB ARG A 23 9.248 -6.447 4.081 1.00 33.32 C ATOM 349 CG ARG A 23 9.336 -7.702 4.974 1.00 41.05 C ATOM 350 CD ARG A 23 10.365 -8.727 4.485 1.00 10.50 C ATOM 351 NE ARG A 23 11.719 -8.146 4.376 1.00 73.02 N ATOM 352 CZ ARG A 23 12.599 -8.047 5.355 1.00 51.22 C ATOM 353 NH1 ARG A 23 12.325 -8.475 6.546 1.00 63.22 N ATOM 354 NH2 ARG A 23 13.751 -7.513 5.124 1.00 62.00 N ATOM 0 H ARG A 23 6.754 -6.666 4.014 1.00 0.34 H new ATOM 0 HA ARG A 23 8.557 -5.156 5.671 1.00 30.03 H new ATOM 0 HB2 ARG A 23 8.915 -6.741 3.086 1.00 33.32 H new ATOM 0 HB3 ARG A 23 10.244 -6.019 3.970 1.00 33.32 H new ATOM 0 HG2 ARG A 23 9.591 -7.399 5.990 1.00 41.05 H new ATOM 0 HG3 ARG A 23 8.355 -8.176 5.019 1.00 41.05 H new ATOM 0 HD2 ARG A 23 10.388 -9.573 5.172 1.00 10.50 H new ATOM 0 HD3 ARG A 23 10.058 -9.114 3.513 1.00 10.50 H new ATOM 0 HE ARG A 23 11.999 -7.789 3.462 1.00 73.02 H new ATOM 0 HH11 ARG A 23 11.417 -8.897 6.740 1.00 63.22 H new ATOM 0 HH12 ARG A 23 13.017 -8.390 7.290 1.00 63.22 H new ATOM 0 HH21 ARG A 23 13.976 -7.171 4.190 1.00 62.00 H new ATOM 0 HH22 ARG A 23 14.436 -7.433 5.876 1.00 62.00 H new ATOM 368 N GLN A 24 7.868 -4.007 2.640 1.00 52.35 N ATOM 369 CA GLN A 24 7.974 -2.844 1.732 1.00 34.54 C ATOM 370 C GLN A 24 7.055 -1.667 2.179 1.00 72.53 C ATOM 371 O GLN A 24 7.467 -0.499 2.137 1.00 72.40 O ATOM 372 CB GLN A 24 7.689 -3.311 0.272 1.00 45.35 C ATOM 373 CG GLN A 24 7.994 -2.274 -0.845 1.00 53.31 C ATOM 374 CD GLN A 24 6.828 -1.351 -1.205 1.00 71.31 C ATOM 375 OE1 GLN A 24 5.669 -1.722 -1.081 1.00 24.40 O ATOM 376 NE2 GLN A 24 7.127 -0.156 -1.680 1.00 4.43 N ATOM 0 H GLN A 24 7.317 -4.776 2.260 1.00 52.35 H new ATOM 0 HA GLN A 24 8.988 -2.447 1.775 1.00 34.54 H new ATOM 0 HB2 GLN A 24 8.276 -4.209 0.077 1.00 45.35 H new ATOM 0 HB3 GLN A 24 6.639 -3.595 0.200 1.00 45.35 H new ATOM 0 HG2 GLN A 24 8.839 -1.662 -0.531 1.00 53.31 H new ATOM 0 HG3 GLN A 24 8.305 -2.809 -1.742 1.00 53.31 H new ATOM 0 HE21 GLN A 24 8.103 0.127 -1.772 1.00 4.43 H new ATOM 0 HE22 GLN A 24 6.382 0.485 -1.955 1.00 4.43 H new ATOM 385 N VAL A 25 5.822 -1.993 2.619 1.00 21.30 N ATOM 386 CA VAL A 25 4.808 -0.989 3.040 1.00 52.32 C ATOM 387 C VAL A 25 5.134 -0.374 4.429 1.00 3.33 C ATOM 388 O VAL A 25 4.975 0.825 4.613 1.00 5.34 O ATOM 389 CB VAL A 25 3.343 -1.576 3.019 1.00 51.21 C ATOM 390 CG1 VAL A 25 2.287 -0.557 3.538 1.00 65.10 C ATOM 391 CG2 VAL A 25 2.967 -2.063 1.594 1.00 60.31 C ATOM 0 H VAL A 25 5.496 -2.957 2.694 1.00 21.30 H new ATOM 0 HA VAL A 25 4.853 -0.187 2.303 1.00 52.32 H new ATOM 0 HB VAL A 25 3.334 -2.426 3.701 1.00 51.21 H new ATOM 0 HG11 VAL A 25 1.296 -1.010 3.503 1.00 65.10 H new ATOM 0 HG12 VAL A 25 2.523 -0.280 4.565 1.00 65.10 H new ATOM 0 HG13 VAL A 25 2.301 0.333 2.910 1.00 65.10 H new ATOM 0 HG21 VAL A 25 1.953 -2.464 1.602 1.00 60.31 H new ATOM 0 HG22 VAL A 25 3.021 -1.226 0.898 1.00 60.31 H new ATOM 0 HG23 VAL A 25 3.662 -2.841 1.280 1.00 60.31 H new ATOM 401 N LEU A 26 5.591 -1.175 5.412 1.00 23.42 N ATOM 402 CA LEU A 26 6.034 -0.611 6.719 1.00 73.12 C ATOM 403 C LEU A 26 7.464 -0.023 6.613 1.00 51.31 C ATOM 404 O LEU A 26 7.805 0.929 7.321 1.00 11.11 O ATOM 405 CB LEU A 26 5.958 -1.646 7.884 1.00 13.54 C ATOM 406 CG LEU A 26 4.524 -1.984 8.430 1.00 74.23 C ATOM 407 CD1 LEU A 26 3.709 -2.878 7.465 1.00 11.04 C ATOM 408 CD2 LEU A 26 4.599 -2.610 9.842 1.00 23.32 C ATOM 0 H LEU A 26 5.665 -2.190 5.338 1.00 23.42 H new ATOM 0 HA LEU A 26 5.336 0.191 6.959 1.00 73.12 H new ATOM 0 HB2 LEU A 26 6.422 -2.573 7.547 1.00 13.54 H new ATOM 0 HB3 LEU A 26 6.559 -1.271 8.713 1.00 13.54 H new ATOM 0 HG LEU A 26 3.988 -1.038 8.502 1.00 74.23 H new ATOM 0 HD11 LEU A 26 2.728 -3.078 7.896 1.00 11.04 H new ATOM 0 HD12 LEU A 26 3.589 -2.367 6.510 1.00 11.04 H new ATOM 0 HD13 LEU A 26 4.236 -3.820 7.309 1.00 11.04 H new ATOM 0 HD21 LEU A 26 3.592 -2.834 10.195 1.00 23.32 H new ATOM 0 HD22 LEU A 26 5.182 -3.530 9.802 1.00 23.32 H new ATOM 0 HD23 LEU A 26 5.076 -1.908 10.526 1.00 23.32 H new ATOM 420 N GLY A 27 8.286 -0.590 5.706 1.00 25.32 N ATOM 421 CA GLY A 27 9.711 -0.212 5.580 1.00 62.41 C ATOM 422 C GLY A 27 10.613 -0.932 6.594 1.00 24.41 C ATOM 423 O GLY A 27 11.790 -0.593 6.753 1.00 63.01 O ATOM 0 H GLY A 27 7.988 -1.312 5.049 1.00 25.32 H new ATOM 0 HA2 GLY A 27 10.054 -0.439 4.571 1.00 62.41 H new ATOM 0 HA3 GLY A 27 9.809 0.865 5.715 1.00 62.41 H new ATOM 427 N ASN A 28 10.037 -1.940 7.283 1.00 73.34 N ATOM 428 CA ASN A 28 10.708 -2.715 8.351 1.00 15.03 C ATOM 429 C ASN A 28 10.676 -4.224 7.998 1.00 34.34 C ATOM 430 O ASN A 28 10.646 -4.585 6.817 1.00 11.31 O ATOM 431 CB ASN A 28 9.987 -2.440 9.708 1.00 42.14 C ATOM 432 CG ASN A 28 9.927 -0.958 10.114 1.00 42.00 C ATOM 433 OD1 ASN A 28 8.962 -0.515 10.717 1.00 63.42 O ATOM 434 ND2 ASN A 28 10.960 -0.188 9.819 1.00 71.45 N ATOM 0 H ASN A 28 9.079 -2.244 7.111 1.00 73.34 H new ATOM 0 HA ASN A 28 11.751 -2.410 8.440 1.00 15.03 H new ATOM 0 HB2 ASN A 28 8.970 -2.828 9.649 1.00 42.14 H new ATOM 0 HB3 ASN A 28 10.496 -2.998 10.494 1.00 42.14 H new ATOM 0 HD21 ASN A 28 10.960 0.794 10.096 1.00 71.45 H new ATOM 0 HD22 ASN A 28 11.757 -0.576 9.315 1.00 71.45 H new ATOM 441 N ASP A 29 10.743 -5.107 9.016 1.00 32.13 N ATOM 442 CA ASP A 29 10.440 -6.533 8.831 1.00 43.21 C ATOM 443 C ASP A 29 8.905 -6.744 8.747 1.00 11.42 C ATOM 444 O ASP A 29 8.321 -6.668 7.667 1.00 24.44 O ATOM 445 CB ASP A 29 11.069 -7.390 9.965 1.00 12.22 C ATOM 446 CG ASP A 29 12.600 -7.318 9.984 1.00 70.30 C ATOM 447 OD1 ASP A 29 13.242 -8.041 9.196 1.00 22.11 O ATOM 448 OD2 ASP A 29 13.167 -6.540 10.774 1.00 34.34 O ATOM 0 H ASP A 29 11.004 -4.854 9.969 1.00 32.13 H new ATOM 0 HA ASP A 29 10.883 -6.865 7.892 1.00 43.21 H new ATOM 0 HB2 ASP A 29 10.682 -7.053 10.926 1.00 12.22 H new ATOM 0 HB3 ASP A 29 10.760 -8.428 9.844 1.00 12.22 H new ATOM 453 N TYR A 30 8.243 -6.923 9.900 1.00 51.23 N ATOM 454 CA TYR A 30 6.872 -7.467 9.940 1.00 54.41 C ATOM 455 C TYR A 30 6.356 -7.463 11.401 1.00 13.43 C ATOM 456 O TYR A 30 7.086 -7.859 12.316 1.00 4.30 O ATOM 457 CB TYR A 30 6.925 -8.924 9.369 1.00 51.44 C ATOM 458 CG TYR A 30 5.618 -9.605 8.914 1.00 1.01 C ATOM 459 CD1 TYR A 30 4.343 -9.162 9.275 1.00 3.01 C ATOM 460 CD2 TYR A 30 5.695 -10.748 8.121 1.00 61.41 C ATOM 461 CE1 TYR A 30 3.205 -9.846 8.873 1.00 72.10 C ATOM 462 CE2 TYR A 30 4.570 -11.419 7.707 1.00 35.52 C ATOM 463 CZ TYR A 30 3.327 -10.969 8.084 1.00 35.15 C ATOM 464 OH TYR A 30 2.205 -11.668 7.698 1.00 31.14 O ATOM 0 H TYR A 30 8.631 -6.700 10.816 1.00 51.23 H new ATOM 0 HA TYR A 30 6.190 -6.861 9.343 1.00 54.41 H new ATOM 0 HB2 TYR A 30 7.605 -8.917 8.517 1.00 51.44 H new ATOM 0 HB3 TYR A 30 7.377 -9.558 10.132 1.00 51.44 H new ATOM 0 HD1 TYR A 30 4.242 -8.271 9.878 1.00 3.01 H new ATOM 0 HD2 TYR A 30 6.666 -11.117 7.824 1.00 61.41 H new ATOM 0 HE1 TYR A 30 2.228 -9.500 9.177 1.00 72.10 H new ATOM 0 HE2 TYR A 30 4.662 -12.298 7.087 1.00 35.52 H new ATOM 0 HH TYR A 30 1.421 -11.083 7.751 1.00 31.14 H new ATOM 474 N VAL A 31 5.112 -6.993 11.599 1.00 13.43 N ATOM 475 CA VAL A 31 4.389 -7.112 12.894 1.00 1.55 C ATOM 476 C VAL A 31 4.241 -8.599 13.311 1.00 2.12 C ATOM 477 O VAL A 31 4.584 -8.988 14.432 1.00 54.53 O ATOM 478 CB VAL A 31 2.961 -6.447 12.784 1.00 40.10 C ATOM 479 CG1 VAL A 31 2.046 -6.820 13.985 1.00 33.23 C ATOM 480 CG2 VAL A 31 3.087 -4.910 12.622 1.00 20.04 C ATOM 0 H VAL A 31 4.574 -6.520 10.873 1.00 13.43 H new ATOM 0 HA VAL A 31 4.972 -6.593 13.655 1.00 1.55 H new ATOM 0 HB VAL A 31 2.480 -6.847 11.891 1.00 40.10 H new ATOM 0 HG11 VAL A 31 1.075 -6.340 13.865 1.00 33.23 H new ATOM 0 HG12 VAL A 31 1.914 -7.901 14.020 1.00 33.23 H new ATOM 0 HG13 VAL A 31 2.507 -6.481 14.913 1.00 33.23 H new ATOM 0 HG21 VAL A 31 2.093 -4.469 12.548 1.00 20.04 H new ATOM 0 HG22 VAL A 31 3.605 -4.494 13.486 1.00 20.04 H new ATOM 0 HG23 VAL A 31 3.652 -4.685 11.718 1.00 20.04 H new ATOM 490 N MET A 32 3.698 -9.381 12.369 1.00 30.40 N ATOM 491 CA MET A 32 3.443 -10.822 12.508 1.00 65.42 C ATOM 492 C MET A 32 2.312 -11.118 13.536 1.00 40.34 C ATOM 493 O MET A 32 1.505 -10.231 13.845 1.00 45.50 O ATOM 494 CB MET A 32 4.765 -11.649 12.741 1.00 62.00 C ATOM 495 CG MET A 32 5.024 -12.694 11.642 1.00 64.01 C ATOM 496 SD MET A 32 3.592 -13.778 11.396 1.00 30.34 S ATOM 497 CE MET A 32 3.957 -14.564 9.822 1.00 42.24 C ATOM 0 H MET A 32 3.415 -9.017 11.459 1.00 30.40 H new ATOM 0 HA MET A 32 3.060 -11.178 11.551 1.00 65.42 H new ATOM 0 HB2 MET A 32 5.611 -10.964 12.789 1.00 62.00 H new ATOM 0 HB3 MET A 32 4.707 -12.152 13.706 1.00 62.00 H new ATOM 0 HG2 MET A 32 5.262 -12.187 10.707 1.00 64.01 H new ATOM 0 HG3 MET A 32 5.894 -13.295 11.909 1.00 64.01 H new ATOM 0 HE1 MET A 32 3.372 -15.479 9.728 1.00 42.24 H new ATOM 0 HE2 MET A 32 3.702 -13.885 9.008 1.00 42.24 H new ATOM 0 HE3 MET A 32 5.019 -14.806 9.773 1.00 42.24 H new ATOM 507 N SER A 33 2.235 -12.385 13.992 1.00 43.22 N ATOM 508 CA SER A 33 1.050 -12.955 14.678 1.00 53.01 C ATOM 509 C SER A 33 0.596 -12.173 15.934 1.00 63.42 C ATOM 510 O SER A 33 1.079 -12.414 17.044 1.00 23.21 O ATOM 511 CB SER A 33 1.316 -14.434 15.026 1.00 51.03 C ATOM 512 OG SER A 33 0.163 -15.058 15.573 1.00 23.22 O ATOM 0 H SER A 33 3.001 -13.051 13.895 1.00 43.22 H new ATOM 0 HA SER A 33 0.221 -12.870 13.975 1.00 53.01 H new ATOM 0 HB2 SER A 33 1.629 -14.969 14.129 1.00 51.03 H new ATOM 0 HB3 SER A 33 2.138 -14.499 15.739 1.00 51.03 H new ATOM 0 HG SER A 33 0.365 -15.994 15.781 1.00 23.22 H new ATOM 518 N THR A 34 -0.314 -11.201 15.710 1.00 63.13 N ATOM 519 CA THR A 34 -1.039 -10.467 16.778 1.00 3.14 C ATOM 520 C THR A 34 -2.221 -9.661 16.163 1.00 15.12 C ATOM 521 O THR A 34 -3.386 -10.005 16.374 1.00 4.44 O ATOM 522 CB THR A 34 -0.104 -9.550 17.684 1.00 60.11 C ATOM 523 OG1 THR A 34 -0.904 -8.735 18.557 1.00 12.00 O ATOM 524 CG2 THR A 34 0.859 -8.660 16.875 1.00 41.11 C ATOM 0 H THR A 34 -0.572 -10.897 14.771 1.00 63.13 H new ATOM 0 HA THR A 34 -1.435 -11.218 17.461 1.00 3.14 H new ATOM 0 HB THR A 34 0.517 -10.231 18.267 1.00 60.11 H new ATOM 0 HG1 THR A 34 -0.860 -7.801 18.264 1.00 12.00 H new ATOM 0 HG21 THR A 34 1.464 -8.064 17.558 1.00 41.11 H new ATOM 0 HG22 THR A 34 1.510 -9.288 16.267 1.00 41.11 H new ATOM 0 HG23 THR A 34 0.285 -7.998 16.227 1.00 41.11 H new ATOM 532 N GLU A 35 -1.910 -8.626 15.350 1.00 22.12 N ATOM 533 CA GLU A 35 -2.919 -7.674 14.793 1.00 53.34 C ATOM 534 C GLU A 35 -2.651 -7.415 13.286 1.00 64.34 C ATOM 535 O GLU A 35 -3.031 -6.372 12.751 1.00 41.03 O ATOM 536 CB GLU A 35 -2.834 -6.330 15.584 1.00 34.42 C ATOM 537 CG GLU A 35 -3.134 -6.446 17.103 1.00 13.52 C ATOM 538 CD GLU A 35 -2.340 -5.436 17.944 1.00 44.40 C ATOM 539 OE1 GLU A 35 -1.127 -5.666 18.158 1.00 71.05 O ATOM 540 OE2 GLU A 35 -2.901 -4.401 18.363 1.00 21.34 O ATOM 0 H GLU A 35 -0.955 -8.421 15.057 1.00 22.12 H new ATOM 0 HA GLU A 35 -3.915 -8.105 14.894 1.00 53.34 H new ATOM 0 HB2 GLU A 35 -1.835 -5.913 15.456 1.00 34.42 H new ATOM 0 HB3 GLU A 35 -3.534 -5.621 15.143 1.00 34.42 H new ATOM 0 HG2 GLU A 35 -4.200 -6.294 17.271 1.00 13.52 H new ATOM 0 HG3 GLU A 35 -2.900 -7.456 17.439 1.00 13.52 H new ATOM 547 N ARG A 36 -2.031 -8.390 12.599 1.00 13.45 N ATOM 548 CA ARG A 36 -1.558 -8.224 11.192 1.00 54.14 C ATOM 549 C ARG A 36 -2.685 -8.423 10.127 1.00 5.24 C ATOM 550 O ARG A 36 -2.424 -8.966 9.055 1.00 14.42 O ATOM 551 CB ARG A 36 -0.385 -9.216 10.939 1.00 51.21 C ATOM 552 CG ARG A 36 -0.733 -10.704 11.219 1.00 42.33 C ATOM 553 CD ARG A 36 0.349 -11.663 10.705 1.00 51.13 C ATOM 554 NE ARG A 36 0.066 -13.069 11.040 1.00 4.42 N ATOM 555 CZ ARG A 36 0.148 -14.083 10.203 1.00 64.12 C ATOM 556 NH1 ARG A 36 0.361 -13.895 8.930 1.00 64.12 N ATOM 557 NH2 ARG A 36 -0.035 -15.280 10.643 1.00 32.02 N ATOM 0 H ARG A 36 -1.839 -9.313 12.990 1.00 13.45 H new ATOM 0 HA ARG A 36 -1.223 -7.193 11.076 1.00 54.14 H new ATOM 0 HB2 ARG A 36 -0.061 -9.120 9.903 1.00 51.21 H new ATOM 0 HB3 ARG A 36 0.460 -8.929 11.565 1.00 51.21 H new ATOM 0 HG2 ARG A 36 -0.863 -10.848 12.291 1.00 42.33 H new ATOM 0 HG3 ARG A 36 -1.685 -10.947 10.747 1.00 42.33 H new ATOM 0 HD2 ARG A 36 0.435 -11.561 9.623 1.00 51.13 H new ATOM 0 HD3 ARG A 36 1.312 -11.379 11.129 1.00 51.13 H new ATOM 0 HE ARG A 36 -0.217 -13.274 11.998 1.00 4.42 H new ATOM 0 HH11 ARG A 36 0.468 -12.948 8.565 1.00 64.12 H new ATOM 0 HH12 ARG A 36 0.421 -14.694 8.299 1.00 64.12 H new ATOM 0 HH21 ARG A 36 -0.241 -15.435 11.630 1.00 32.02 H new ATOM 0 HH22 ARG A 36 0.026 -16.073 10.004 1.00 32.02 H new ATOM 571 N LEU A 37 -3.912 -7.913 10.410 1.00 13.15 N ATOM 572 CA LEU A 37 -5.101 -8.053 9.520 1.00 53.30 C ATOM 573 C LEU A 37 -5.333 -9.520 9.102 1.00 73.21 C ATOM 574 O LEU A 37 -5.304 -9.856 7.913 1.00 52.41 O ATOM 575 CB LEU A 37 -5.026 -7.115 8.269 1.00 13.03 C ATOM 576 CG LEU A 37 -5.151 -5.579 8.530 1.00 45.22 C ATOM 577 CD1 LEU A 37 -3.913 -5.015 9.250 1.00 41.02 C ATOM 578 CD2 LEU A 37 -5.431 -4.807 7.219 1.00 42.33 C ATOM 0 H LEU A 37 -4.108 -7.391 11.264 1.00 13.15 H new ATOM 0 HA LEU A 37 -5.962 -7.733 10.107 1.00 53.30 H new ATOM 0 HB2 LEU A 37 -4.077 -7.297 7.764 1.00 13.03 H new ATOM 0 HB3 LEU A 37 -5.816 -7.407 7.578 1.00 13.03 H new ATOM 0 HG LEU A 37 -6.004 -5.437 9.193 1.00 45.22 H new ATOM 0 HD11 LEU A 37 -4.042 -3.945 9.411 1.00 41.02 H new ATOM 0 HD12 LEU A 37 -3.792 -5.515 10.211 1.00 41.02 H new ATOM 0 HD13 LEU A 37 -3.027 -5.185 8.638 1.00 41.02 H new ATOM 0 HD21 LEU A 37 -5.513 -3.742 7.434 1.00 42.33 H new ATOM 0 HD22 LEU A 37 -4.614 -4.974 6.517 1.00 42.33 H new ATOM 0 HD23 LEU A 37 -6.364 -5.161 6.781 1.00 42.33 H new ATOM 590 N THR A 38 -5.573 -10.372 10.107 1.00 13.45 N ATOM 591 CA THR A 38 -5.715 -11.835 9.926 1.00 54.41 C ATOM 592 C THR A 38 -6.855 -12.191 8.944 1.00 54.42 C ATOM 593 O THR A 38 -6.765 -13.171 8.203 1.00 44.14 O ATOM 594 CB THR A 38 -5.970 -12.543 11.297 1.00 50.41 C ATOM 595 OG1 THR A 38 -7.247 -12.149 11.826 1.00 63.31 O ATOM 596 CG2 THR A 38 -4.878 -12.198 12.327 1.00 14.03 C ATOM 0 H THR A 38 -5.676 -10.071 11.076 1.00 13.45 H new ATOM 0 HA THR A 38 -4.776 -12.191 9.502 1.00 54.41 H new ATOM 0 HB THR A 38 -5.951 -13.618 11.116 1.00 50.41 H new ATOM 0 HG1 THR A 38 -7.399 -12.599 12.684 1.00 63.31 H new ATOM 0 HG21 THR A 38 -5.090 -12.708 13.267 1.00 14.03 H new ATOM 0 HG22 THR A 38 -3.907 -12.520 11.950 1.00 14.03 H new ATOM 0 HG23 THR A 38 -4.863 -11.121 12.495 1.00 14.03 H new ATOM 604 N SER A 39 -7.917 -11.361 8.950 1.00 40.12 N ATOM 605 CA SER A 39 -9.049 -11.467 8.001 1.00 34.34 C ATOM 606 C SER A 39 -8.584 -11.223 6.543 1.00 33.14 C ATOM 607 O SER A 39 -8.853 -12.035 5.661 1.00 33.32 O ATOM 608 CB SER A 39 -10.156 -10.452 8.374 1.00 25.14 C ATOM 609 OG SER A 39 -9.674 -9.112 8.334 1.00 11.22 O ATOM 0 H SER A 39 -8.016 -10.594 9.615 1.00 40.12 H new ATOM 0 HA SER A 39 -9.448 -12.479 8.068 1.00 34.34 H new ATOM 0 HB2 SER A 39 -10.995 -10.558 7.686 1.00 25.14 H new ATOM 0 HB3 SER A 39 -10.533 -10.674 9.372 1.00 25.14 H new ATOM 0 HG SER A 39 -10.398 -8.497 8.573 1.00 11.22 H new ATOM 615 N ALA A 40 -7.849 -10.107 6.324 1.00 1.14 N ATOM 616 CA ALA A 40 -7.375 -9.684 4.976 1.00 52.41 C ATOM 617 C ALA A 40 -6.352 -10.680 4.375 1.00 33.32 C ATOM 618 O ALA A 40 -6.341 -10.919 3.163 1.00 50.04 O ATOM 619 CB ALA A 40 -6.771 -8.268 5.031 1.00 2.54 C ATOM 0 H ALA A 40 -7.566 -9.473 7.072 1.00 1.14 H new ATOM 0 HA ALA A 40 -8.246 -9.675 4.321 1.00 52.41 H new ATOM 0 HB1 ALA A 40 -6.431 -7.979 4.037 1.00 2.54 H new ATOM 0 HB2 ALA A 40 -7.527 -7.563 5.375 1.00 2.54 H new ATOM 0 HB3 ALA A 40 -5.926 -8.259 5.720 1.00 2.54 H new ATOM 625 N GLU A 41 -5.484 -11.236 5.237 1.00 62.55 N ATOM 626 CA GLU A 41 -4.529 -12.303 4.855 1.00 31.32 C ATOM 627 C GLU A 41 -5.265 -13.596 4.449 1.00 61.23 C ATOM 628 O GLU A 41 -4.915 -14.222 3.454 1.00 30.23 O ATOM 629 CB GLU A 41 -3.564 -12.587 6.021 1.00 55.21 C ATOM 630 CG GLU A 41 -2.753 -11.361 6.471 1.00 33.11 C ATOM 631 CD GLU A 41 -1.835 -11.656 7.658 1.00 44.23 C ATOM 632 OE1 GLU A 41 -2.328 -12.195 8.676 1.00 3.24 O ATOM 633 OE2 GLU A 41 -0.627 -11.337 7.593 1.00 1.11 O ATOM 0 H GLU A 41 -5.421 -10.963 6.218 1.00 62.55 H new ATOM 0 HA GLU A 41 -3.961 -11.955 3.992 1.00 31.32 H new ATOM 0 HB2 GLU A 41 -4.136 -12.964 6.869 1.00 55.21 H new ATOM 0 HB3 GLU A 41 -2.875 -13.378 5.725 1.00 55.21 H new ATOM 0 HG2 GLU A 41 -2.153 -11.002 5.635 1.00 33.11 H new ATOM 0 HG3 GLU A 41 -3.438 -10.557 6.740 1.00 33.11 H new ATOM 640 N SER A 42 -6.291 -13.978 5.238 1.00 60.34 N ATOM 641 CA SER A 42 -7.190 -15.119 4.904 1.00 64.35 C ATOM 642 C SER A 42 -7.924 -14.907 3.557 1.00 75.44 C ATOM 643 O SER A 42 -8.203 -15.872 2.842 1.00 2.43 O ATOM 644 CB SER A 42 -8.226 -15.350 6.028 1.00 4.31 C ATOM 645 OG SER A 42 -7.591 -15.708 7.246 1.00 55.44 O ATOM 0 H SER A 42 -6.524 -13.515 6.116 1.00 60.34 H new ATOM 0 HA SER A 42 -6.556 -16.001 4.809 1.00 64.35 H new ATOM 0 HB2 SER A 42 -8.815 -14.445 6.175 1.00 4.31 H new ATOM 0 HB3 SER A 42 -8.919 -16.137 5.731 1.00 4.31 H new ATOM 0 HG SER A 42 -7.251 -14.902 7.687 1.00 55.44 H new ATOM 651 N LEU A 43 -8.234 -13.633 3.230 1.00 22.23 N ATOM 652 CA LEU A 43 -8.813 -13.258 1.920 1.00 62.34 C ATOM 653 C LEU A 43 -7.808 -13.508 0.757 1.00 21.53 C ATOM 654 O LEU A 43 -8.189 -14.016 -0.291 1.00 4.40 O ATOM 655 CB LEU A 43 -9.262 -11.767 1.918 1.00 54.24 C ATOM 656 CG LEU A 43 -10.373 -11.349 2.934 1.00 35.35 C ATOM 657 CD1 LEU A 43 -10.651 -9.826 2.881 1.00 74.33 C ATOM 658 CD2 LEU A 43 -11.666 -12.154 2.716 1.00 23.15 C ATOM 0 H LEU A 43 -8.092 -12.843 3.859 1.00 22.23 H new ATOM 0 HA LEU A 43 -9.685 -13.892 1.761 1.00 62.34 H new ATOM 0 HB2 LEU A 43 -8.383 -11.150 2.107 1.00 54.24 H new ATOM 0 HB3 LEU A 43 -9.613 -11.522 0.916 1.00 54.24 H new ATOM 0 HG LEU A 43 -10.000 -11.581 3.932 1.00 35.35 H new ATOM 0 HD11 LEU A 43 -11.429 -9.573 3.601 1.00 74.33 H new ATOM 0 HD12 LEU A 43 -9.739 -9.281 3.125 1.00 74.33 H new ATOM 0 HD13 LEU A 43 -10.981 -9.551 1.879 1.00 74.33 H new ATOM 0 HD21 LEU A 43 -12.418 -11.838 3.439 1.00 23.15 H new ATOM 0 HD22 LEU A 43 -12.038 -11.979 1.706 1.00 23.15 H new ATOM 0 HD23 LEU A 43 -11.460 -13.216 2.848 1.00 23.15 H new ATOM 670 N LEU A 44 -6.525 -13.134 0.952 1.00 30.13 N ATOM 671 CA LEU A 44 -5.464 -13.351 -0.073 1.00 15.23 C ATOM 672 C LEU A 44 -5.171 -14.865 -0.282 1.00 75.51 C ATOM 673 O LEU A 44 -5.089 -15.343 -1.421 1.00 2.24 O ATOM 674 CB LEU A 44 -4.155 -12.602 0.304 1.00 20.11 C ATOM 675 CG LEU A 44 -2.992 -12.701 -0.748 1.00 51.43 C ATOM 676 CD1 LEU A 44 -3.399 -12.086 -2.110 1.00 43.33 C ATOM 677 CD2 LEU A 44 -1.684 -12.078 -0.213 1.00 4.12 C ATOM 0 H LEU A 44 -6.193 -12.682 1.804 1.00 30.13 H new ATOM 0 HA LEU A 44 -5.840 -12.943 -1.011 1.00 15.23 H new ATOM 0 HB2 LEU A 44 -4.391 -11.549 0.460 1.00 20.11 H new ATOM 0 HB3 LEU A 44 -3.795 -12.993 1.256 1.00 20.11 H new ATOM 0 HG LEU A 44 -2.801 -13.761 -0.916 1.00 51.43 H new ATOM 0 HD11 LEU A 44 -2.569 -12.173 -2.811 1.00 43.33 H new ATOM 0 HD12 LEU A 44 -4.265 -12.617 -2.505 1.00 43.33 H new ATOM 0 HD13 LEU A 44 -3.650 -11.034 -1.974 1.00 43.33 H new ATOM 0 HD21 LEU A 44 -0.903 -12.166 -0.969 1.00 4.12 H new ATOM 0 HD22 LEU A 44 -1.850 -11.026 0.017 1.00 4.12 H new ATOM 0 HD23 LEU A 44 -1.374 -12.602 0.691 1.00 4.12 H new ATOM 689 N ARG A 45 -5.027 -15.599 0.839 1.00 54.04 N ATOM 690 CA ARG A 45 -4.800 -17.070 0.837 1.00 54.24 C ATOM 691 C ARG A 45 -5.989 -17.825 0.193 1.00 4.34 C ATOM 692 O ARG A 45 -5.795 -18.800 -0.540 1.00 60.45 O ATOM 693 CB ARG A 45 -4.577 -17.593 2.287 1.00 34.11 C ATOM 694 CG ARG A 45 -3.375 -16.963 3.031 1.00 21.44 C ATOM 695 CD ARG A 45 -3.180 -17.538 4.447 1.00 11.13 C ATOM 696 NE ARG A 45 -4.375 -17.360 5.310 1.00 62.33 N ATOM 697 CZ ARG A 45 -5.092 -18.335 5.844 1.00 52.44 C ATOM 698 NH1 ARG A 45 -4.830 -19.581 5.600 1.00 15.20 N ATOM 699 NH2 ARG A 45 -6.083 -18.052 6.618 1.00 3.55 N ATOM 0 H ARG A 45 -5.064 -15.195 1.775 1.00 54.04 H new ATOM 0 HA ARG A 45 -3.906 -17.260 0.243 1.00 54.24 H new ATOM 0 HB2 ARG A 45 -5.481 -17.409 2.867 1.00 34.11 H new ATOM 0 HB3 ARG A 45 -4.437 -18.673 2.250 1.00 34.11 H new ATOM 0 HG2 ARG A 45 -2.468 -17.127 2.450 1.00 21.44 H new ATOM 0 HG3 ARG A 45 -3.520 -15.885 3.099 1.00 21.44 H new ATOM 0 HD2 ARG A 45 -2.945 -18.600 4.374 1.00 11.13 H new ATOM 0 HD3 ARG A 45 -2.323 -17.054 4.916 1.00 11.13 H new ATOM 0 HE ARG A 45 -4.668 -16.403 5.508 1.00 62.33 H new ATOM 0 HH11 ARG A 45 -4.056 -19.828 4.984 1.00 15.20 H new ATOM 0 HH12 ARG A 45 -5.398 -20.314 6.024 1.00 15.20 H new ATOM 0 HH21 ARG A 45 -6.313 -17.078 6.817 1.00 3.55 H new ATOM 0 HH22 ARG A 45 -6.638 -18.802 7.031 1.00 3.55 H new ATOM 713 N GLY A 46 -7.212 -17.343 0.484 1.00 73.31 N ATOM 714 CA GLY A 46 -8.448 -17.937 -0.041 1.00 3.21 C ATOM 715 C GLY A 46 -8.827 -17.472 -1.453 1.00 51.14 C ATOM 716 O GLY A 46 -9.794 -17.981 -2.028 1.00 41.42 O ATOM 0 H GLY A 46 -7.367 -16.535 1.087 1.00 73.31 H new ATOM 0 HA2 GLY A 46 -8.341 -19.022 -0.046 1.00 3.21 H new ATOM 0 HA3 GLY A 46 -9.267 -17.700 0.638 1.00 3.21 H new ATOM 720 N GLY A 47 -8.070 -16.500 -2.011 1.00 21.14 N ATOM 721 CA GLY A 47 -8.351 -15.947 -3.354 1.00 11.41 C ATOM 722 C GLY A 47 -9.581 -15.026 -3.405 1.00 42.42 C ATOM 723 O GLY A 47 -10.097 -14.726 -4.484 1.00 22.43 O ATOM 0 H GLY A 47 -7.260 -16.083 -1.552 1.00 21.14 H new ATOM 0 HA2 GLY A 47 -7.479 -15.391 -3.697 1.00 11.41 H new ATOM 0 HA3 GLY A 47 -8.498 -16.771 -4.052 1.00 11.41 H new ATOM 727 N GLU A 48 -10.040 -14.581 -2.224 1.00 0.43 N ATOM 728 CA GLU A 48 -11.210 -13.688 -2.075 1.00 33.02 C ATOM 729 C GLU A 48 -10.874 -12.231 -2.486 1.00 41.15 C ATOM 730 O GLU A 48 -11.747 -11.491 -2.946 1.00 50.25 O ATOM 731 CB GLU A 48 -11.699 -13.722 -0.603 1.00 3.32 C ATOM 732 CG GLU A 48 -11.991 -15.132 -0.025 1.00 5.33 C ATOM 733 CD GLU A 48 -13.265 -15.795 -0.590 1.00 70.00 C ATOM 734 OE1 GLU A 48 -13.212 -16.374 -1.694 1.00 10.21 O ATOM 735 OE2 GLU A 48 -14.328 -15.743 0.079 1.00 24.05 O ATOM 0 H GLU A 48 -9.608 -14.831 -1.335 1.00 0.43 H new ATOM 0 HA GLU A 48 -11.998 -14.045 -2.738 1.00 33.02 H new ATOM 0 HB2 GLU A 48 -10.946 -13.242 0.022 1.00 3.32 H new ATOM 0 HB3 GLU A 48 -12.606 -13.123 -0.527 1.00 3.32 H new ATOM 0 HG2 GLU A 48 -11.138 -15.779 -0.227 1.00 5.33 H new ATOM 0 HG3 GLU A 48 -12.084 -15.056 1.058 1.00 5.33 H new ATOM 742 N ILE A 49 -9.600 -11.818 -2.289 1.00 13.34 N ATOM 743 CA ILE A 49 -9.078 -10.523 -2.794 1.00 15.10 C ATOM 744 C ILE A 49 -7.810 -10.749 -3.643 1.00 3.33 C ATOM 745 O ILE A 49 -7.156 -11.803 -3.556 1.00 25.21 O ATOM 746 CB ILE A 49 -8.755 -9.482 -1.643 1.00 64.10 C ATOM 747 CG1 ILE A 49 -7.552 -9.960 -0.755 1.00 70.55 C ATOM 748 CG2 ILE A 49 -10.014 -9.192 -0.790 1.00 1.53 C ATOM 749 CD1 ILE A 49 -7.193 -9.025 0.390 1.00 63.04 C ATOM 0 H ILE A 49 -8.908 -12.368 -1.779 1.00 13.34 H new ATOM 0 HA ILE A 49 -9.874 -10.095 -3.403 1.00 15.10 H new ATOM 0 HB ILE A 49 -8.452 -8.547 -2.115 1.00 64.10 H new ATOM 0 HG12 ILE A 49 -7.790 -10.941 -0.343 1.00 70.55 H new ATOM 0 HG13 ILE A 49 -6.676 -10.085 -1.392 1.00 70.55 H new ATOM 0 HG21 ILE A 49 -9.766 -8.475 -0.007 1.00 1.53 H new ATOM 0 HG22 ILE A 49 -10.797 -8.779 -1.426 1.00 1.53 H new ATOM 0 HG23 ILE A 49 -10.367 -10.118 -0.335 1.00 1.53 H new ATOM 0 HD11 ILE A 49 -6.352 -9.438 0.947 1.00 63.04 H new ATOM 0 HD12 ILE A 49 -6.919 -8.049 -0.010 1.00 63.04 H new ATOM 0 HD13 ILE A 49 -8.050 -8.918 1.055 1.00 63.04 H new ATOM 761 N SER A 50 -7.490 -9.751 -4.475 1.00 75.31 N ATOM 762 CA SER A 50 -6.250 -9.722 -5.277 1.00 24.21 C ATOM 763 C SER A 50 -5.081 -9.120 -4.472 1.00 35.34 C ATOM 764 O SER A 50 -5.292 -8.457 -3.450 1.00 33.44 O ATOM 765 CB SER A 50 -6.477 -8.913 -6.576 1.00 44.23 C ATOM 766 OG SER A 50 -7.534 -9.464 -7.347 1.00 62.02 O ATOM 0 H SER A 50 -8.084 -8.934 -4.615 1.00 75.31 H new ATOM 0 HA SER A 50 -5.988 -10.748 -5.536 1.00 24.21 H new ATOM 0 HB2 SER A 50 -6.707 -7.877 -6.327 1.00 44.23 H new ATOM 0 HB3 SER A 50 -5.560 -8.903 -7.166 1.00 44.23 H new ATOM 0 HG SER A 50 -7.657 -8.932 -8.161 1.00 62.02 H new ATOM 772 N VAL A 51 -3.850 -9.349 -4.963 1.00 31.43 N ATOM 773 CA VAL A 51 -2.599 -8.846 -4.333 1.00 31.43 C ATOM 774 C VAL A 51 -2.601 -7.305 -4.206 1.00 60.12 C ATOM 775 O VAL A 51 -2.276 -6.757 -3.154 1.00 22.40 O ATOM 776 CB VAL A 51 -1.350 -9.281 -5.176 1.00 3.13 C ATOM 777 CG1 VAL A 51 -0.014 -8.797 -4.540 1.00 21.15 C ATOM 778 CG2 VAL A 51 -1.350 -10.810 -5.395 1.00 42.21 C ATOM 0 H VAL A 51 -3.686 -9.890 -5.812 1.00 31.43 H new ATOM 0 HA VAL A 51 -2.547 -9.279 -3.334 1.00 31.43 H new ATOM 0 HB VAL A 51 -1.425 -8.795 -6.149 1.00 3.13 H new ATOM 0 HG11 VAL A 51 0.822 -9.122 -5.159 1.00 21.15 H new ATOM 0 HG12 VAL A 51 -0.016 -7.709 -4.474 1.00 21.15 H new ATOM 0 HG13 VAL A 51 0.088 -9.221 -3.541 1.00 21.15 H new ATOM 0 HG21 VAL A 51 -0.476 -11.094 -5.982 1.00 42.21 H new ATOM 0 HG22 VAL A 51 -1.319 -11.316 -4.430 1.00 42.21 H new ATOM 0 HG23 VAL A 51 -2.255 -11.101 -5.928 1.00 42.21 H new ATOM 788 N ARG A 52 -2.986 -6.646 -5.309 1.00 52.21 N ATOM 789 CA ARG A 52 -3.112 -5.173 -5.411 1.00 51.21 C ATOM 790 C ARG A 52 -4.012 -4.584 -4.287 1.00 54.45 C ATOM 791 O ARG A 52 -3.642 -3.604 -3.625 1.00 40.22 O ATOM 792 CB ARG A 52 -3.664 -4.830 -6.829 1.00 50.44 C ATOM 793 CG ARG A 52 -3.946 -3.329 -7.127 1.00 54.33 C ATOM 794 CD ARG A 52 -5.443 -2.979 -7.153 1.00 74.20 C ATOM 795 NE ARG A 52 -6.134 -3.675 -8.244 1.00 0.31 N ATOM 796 CZ ARG A 52 -7.046 -3.142 -9.023 1.00 44.51 C ATOM 797 NH1 ARG A 52 -7.418 -1.906 -8.869 1.00 42.41 N ATOM 798 NH2 ARG A 52 -7.578 -3.850 -9.954 1.00 14.43 N ATOM 0 H ARG A 52 -3.225 -7.126 -6.176 1.00 52.21 H new ATOM 0 HA ARG A 52 -2.132 -4.716 -5.275 1.00 51.21 H new ATOM 0 HB2 ARG A 52 -2.951 -5.195 -7.569 1.00 50.44 H new ATOM 0 HB3 ARG A 52 -4.590 -5.386 -6.977 1.00 50.44 H new ATOM 0 HG2 ARG A 52 -3.451 -2.718 -6.372 1.00 54.33 H new ATOM 0 HG3 ARG A 52 -3.503 -3.068 -8.088 1.00 54.33 H new ATOM 0 HD2 ARG A 52 -5.898 -3.249 -6.200 1.00 74.20 H new ATOM 0 HD3 ARG A 52 -5.565 -1.902 -7.271 1.00 74.20 H new ATOM 0 HE ARG A 52 -5.886 -4.650 -8.410 1.00 0.31 H new ATOM 0 HH11 ARG A 52 -7.000 -1.335 -8.134 1.00 42.41 H new ATOM 0 HH12 ARG A 52 -8.128 -1.507 -9.483 1.00 42.41 H new ATOM 0 HH21 ARG A 52 -7.291 -4.820 -10.084 1.00 14.43 H new ATOM 0 HH22 ARG A 52 -8.287 -3.442 -10.563 1.00 14.43 H new ATOM 812 N ASP A 53 -5.171 -5.228 -4.063 1.00 24.24 N ATOM 813 CA ASP A 53 -6.160 -4.794 -3.051 1.00 40.44 C ATOM 814 C ASP A 53 -5.718 -5.175 -1.605 1.00 1.54 C ATOM 815 O ASP A 53 -6.100 -4.508 -0.629 1.00 53.13 O ATOM 816 CB ASP A 53 -7.547 -5.399 -3.385 1.00 73.31 C ATOM 817 CG ASP A 53 -8.671 -4.795 -2.530 1.00 43.42 C ATOM 818 OD1 ASP A 53 -8.936 -3.581 -2.672 1.00 12.12 O ATOM 819 OD2 ASP A 53 -9.283 -5.516 -1.708 1.00 71.30 O ATOM 0 H ASP A 53 -5.452 -6.064 -4.576 1.00 24.24 H new ATOM 0 HA ASP A 53 -6.226 -3.707 -3.084 1.00 40.44 H new ATOM 0 HB2 ASP A 53 -7.768 -5.234 -4.440 1.00 73.31 H new ATOM 0 HB3 ASP A 53 -7.517 -6.478 -3.231 1.00 73.31 H new ATOM 824 N PHE A 54 -4.911 -6.251 -1.484 1.00 54.41 N ATOM 825 CA PHE A 54 -4.311 -6.678 -0.192 1.00 62.03 C ATOM 826 C PHE A 54 -3.302 -5.628 0.328 1.00 4.24 C ATOM 827 O PHE A 54 -3.333 -5.256 1.503 1.00 61.01 O ATOM 828 CB PHE A 54 -3.619 -8.063 -0.338 1.00 23.15 C ATOM 829 CG PHE A 54 -2.910 -8.545 0.937 1.00 54.13 C ATOM 830 CD1 PHE A 54 -3.644 -8.951 2.051 1.00 2.31 C ATOM 831 CD2 PHE A 54 -1.512 -8.566 1.028 1.00 15.32 C ATOM 832 CE1 PHE A 54 -3.008 -9.366 3.206 1.00 52.43 C ATOM 833 CE2 PHE A 54 -0.881 -8.988 2.185 1.00 23.12 C ATOM 834 CZ PHE A 54 -1.631 -9.384 3.273 1.00 12.32 C ATOM 0 H PHE A 54 -4.656 -6.848 -2.271 1.00 54.41 H new ATOM 0 HA PHE A 54 -5.118 -6.766 0.536 1.00 62.03 H new ATOM 0 HB2 PHE A 54 -4.366 -8.802 -0.628 1.00 23.15 H new ATOM 0 HB3 PHE A 54 -2.892 -8.011 -1.148 1.00 23.15 H new ATOM 0 HD1 PHE A 54 -4.723 -8.941 2.011 1.00 2.31 H new ATOM 0 HD2 PHE A 54 -0.919 -8.248 0.183 1.00 15.32 H new ATOM 0 HE1 PHE A 54 -3.592 -9.677 4.059 1.00 52.43 H new ATOM 0 HE2 PHE A 54 0.198 -9.007 2.236 1.00 23.12 H new ATOM 0 HZ PHE A 54 -1.139 -9.708 4.178 1.00 12.32 H new ATOM 844 N VAL A 55 -2.415 -5.166 -0.568 1.00 1.50 N ATOM 845 CA VAL A 55 -1.413 -4.117 -0.258 1.00 22.15 C ATOM 846 C VAL A 55 -2.104 -2.795 0.141 1.00 11.02 C ATOM 847 O VAL A 55 -1.636 -2.069 1.024 1.00 74.43 O ATOM 848 CB VAL A 55 -0.463 -3.866 -1.476 1.00 73.02 C ATOM 849 CG1 VAL A 55 0.591 -2.766 -1.176 1.00 65.21 C ATOM 850 CG2 VAL A 55 0.218 -5.181 -1.929 1.00 13.01 C ATOM 0 H VAL A 55 -2.367 -5.505 -1.529 1.00 1.50 H new ATOM 0 HA VAL A 55 -0.818 -4.474 0.583 1.00 22.15 H new ATOM 0 HB VAL A 55 -1.081 -3.502 -2.297 1.00 73.02 H new ATOM 0 HG11 VAL A 55 1.229 -2.625 -2.049 1.00 65.21 H new ATOM 0 HG12 VAL A 55 0.084 -1.830 -0.942 1.00 65.21 H new ATOM 0 HG13 VAL A 55 1.202 -3.070 -0.326 1.00 65.21 H new ATOM 0 HG21 VAL A 55 0.873 -4.978 -2.777 1.00 13.01 H new ATOM 0 HG22 VAL A 55 0.805 -5.589 -1.106 1.00 13.01 H new ATOM 0 HG23 VAL A 55 -0.544 -5.903 -2.223 1.00 13.01 H new ATOM 860 N ARG A 56 -3.236 -2.519 -0.528 1.00 74.32 N ATOM 861 CA ARG A 56 -4.108 -1.375 -0.218 1.00 14.34 C ATOM 862 C ARG A 56 -4.648 -1.478 1.235 1.00 71.41 C ATOM 863 O ARG A 56 -4.648 -0.488 1.963 1.00 43.33 O ATOM 864 CB ARG A 56 -5.253 -1.307 -1.274 1.00 53.03 C ATOM 865 CG ARG A 56 -6.098 -0.002 -1.279 1.00 15.22 C ATOM 866 CD ARG A 56 -7.305 -0.036 -0.327 1.00 74.11 C ATOM 867 NE ARG A 56 -8.334 -1.006 -0.750 1.00 71.13 N ATOM 868 CZ ARG A 56 -9.635 -0.842 -0.621 1.00 10.35 C ATOM 869 NH1 ARG A 56 -10.135 0.239 -0.114 1.00 54.53 N ATOM 870 NH2 ARG A 56 -10.434 -1.770 -1.011 1.00 40.42 N ATOM 0 H ARG A 56 -3.573 -3.088 -1.304 1.00 74.32 H new ATOM 0 HA ARG A 56 -3.540 -0.446 -0.273 1.00 14.34 H new ATOM 0 HB2 ARG A 56 -4.816 -1.437 -2.264 1.00 53.03 H new ATOM 0 HB3 ARG A 56 -5.924 -2.150 -1.109 1.00 53.03 H new ATOM 0 HG2 ARG A 56 -5.456 0.836 -1.006 1.00 15.22 H new ATOM 0 HG3 ARG A 56 -6.453 0.185 -2.293 1.00 15.22 H new ATOM 0 HD2 ARG A 56 -6.964 -0.288 0.677 1.00 74.11 H new ATOM 0 HD3 ARG A 56 -7.749 0.958 -0.273 1.00 74.11 H new ATOM 0 HE ARG A 56 -8.012 -1.874 -1.177 1.00 71.13 H new ATOM 0 HH11 ARG A 56 -9.518 0.989 0.197 1.00 54.53 H new ATOM 0 HH12 ARG A 56 -11.146 0.341 -0.025 1.00 54.53 H new ATOM 0 HH21 ARG A 56 -10.060 -2.627 -1.418 1.00 40.42 H new ATOM 0 HH22 ARG A 56 -11.442 -1.649 -0.914 1.00 40.42 H new ATOM 884 N ALA A 57 -5.068 -2.694 1.648 1.00 70.15 N ATOM 885 CA ALA A 57 -5.541 -2.975 3.035 1.00 3.15 C ATOM 886 C ALA A 57 -4.417 -2.773 4.085 1.00 44.31 C ATOM 887 O ALA A 57 -4.661 -2.252 5.177 1.00 41.23 O ATOM 888 CB ALA A 57 -6.104 -4.404 3.121 1.00 44.32 C ATOM 0 H ALA A 57 -5.091 -3.510 1.037 1.00 70.15 H new ATOM 0 HA ALA A 57 -6.331 -2.261 3.265 1.00 3.15 H new ATOM 0 HB1 ALA A 57 -6.447 -4.600 4.137 1.00 44.32 H new ATOM 0 HB2 ALA A 57 -6.940 -4.508 2.430 1.00 44.32 H new ATOM 0 HB3 ALA A 57 -5.324 -5.119 2.857 1.00 44.32 H new ATOM 894 N VAL A 58 -3.189 -3.184 3.726 1.00 14.22 N ATOM 895 CA VAL A 58 -1.982 -3.011 4.577 1.00 64.12 C ATOM 896 C VAL A 58 -1.571 -1.509 4.668 1.00 74.44 C ATOM 897 O VAL A 58 -1.028 -1.056 5.680 1.00 3.24 O ATOM 898 CB VAL A 58 -0.799 -3.904 4.032 1.00 30.53 C ATOM 899 CG1 VAL A 58 0.499 -3.746 4.867 1.00 14.52 C ATOM 900 CG2 VAL A 58 -1.229 -5.395 3.967 1.00 44.11 C ATOM 0 H VAL A 58 -2.997 -3.647 2.838 1.00 14.22 H new ATOM 0 HA VAL A 58 -2.218 -3.342 5.588 1.00 64.12 H new ATOM 0 HB VAL A 58 -0.572 -3.554 3.025 1.00 30.53 H new ATOM 0 HG11 VAL A 58 1.280 -4.381 4.449 1.00 14.52 H new ATOM 0 HG12 VAL A 58 0.824 -2.706 4.840 1.00 14.52 H new ATOM 0 HG13 VAL A 58 0.306 -4.039 5.899 1.00 14.52 H new ATOM 0 HG21 VAL A 58 -0.402 -5.996 3.589 1.00 44.11 H new ATOM 0 HG22 VAL A 58 -1.501 -5.739 4.965 1.00 44.11 H new ATOM 0 HG23 VAL A 58 -2.086 -5.498 3.301 1.00 44.11 H new ATOM 910 N ALA A 59 -1.842 -0.748 3.596 1.00 74.40 N ATOM 911 CA ALA A 59 -1.685 0.727 3.587 1.00 34.12 C ATOM 912 C ALA A 59 -2.781 1.439 4.436 1.00 24.35 C ATOM 913 O ALA A 59 -2.544 2.517 4.987 1.00 64.25 O ATOM 914 CB ALA A 59 -1.698 1.247 2.144 1.00 11.43 C ATOM 0 H ALA A 59 -2.175 -1.130 2.711 1.00 74.40 H new ATOM 0 HA ALA A 59 -0.724 0.960 4.045 1.00 34.12 H new ATOM 0 HB1 ALA A 59 -1.582 2.331 2.147 1.00 11.43 H new ATOM 0 HB2 ALA A 59 -0.877 0.796 1.587 1.00 11.43 H new ATOM 0 HB3 ALA A 59 -2.644 0.984 1.671 1.00 11.43 H new ATOM 920 N LEU A 60 -3.979 0.817 4.532 1.00 42.25 N ATOM 921 CA LEU A 60 -5.100 1.331 5.374 1.00 33.42 C ATOM 922 C LEU A 60 -4.996 0.852 6.838 1.00 52.31 C ATOM 923 O LEU A 60 -5.722 1.369 7.701 1.00 10.20 O ATOM 924 CB LEU A 60 -6.476 0.866 4.822 1.00 23.11 C ATOM 925 CG LEU A 60 -6.842 1.309 3.377 1.00 72.20 C ATOM 926 CD1 LEU A 60 -8.249 0.808 3.001 1.00 13.34 C ATOM 927 CD2 LEU A 60 -6.712 2.839 3.191 1.00 75.14 C ATOM 0 H LEU A 60 -4.201 -0.046 4.036 1.00 42.25 H new ATOM 0 HA LEU A 60 -5.023 2.418 5.341 1.00 33.42 H new ATOM 0 HB2 LEU A 60 -6.506 -0.223 4.861 1.00 23.11 H new ATOM 0 HB3 LEU A 60 -7.252 1.231 5.495 1.00 23.11 H new ATOM 0 HG LEU A 60 -6.125 0.852 2.695 1.00 72.20 H new ATOM 0 HD11 LEU A 60 -8.490 1.127 1.987 1.00 13.34 H new ATOM 0 HD12 LEU A 60 -8.274 -0.280 3.055 1.00 13.34 H new ATOM 0 HD13 LEU A 60 -8.980 1.223 3.695 1.00 13.34 H new ATOM 0 HD21 LEU A 60 -6.977 3.105 2.168 1.00 75.14 H new ATOM 0 HD22 LEU A 60 -7.383 3.348 3.883 1.00 75.14 H new ATOM 0 HD23 LEU A 60 -5.685 3.144 3.391 1.00 75.14 H new ATOM 939 N SER A 61 -4.108 -0.139 7.096 1.00 31.42 N ATOM 940 CA SER A 61 -3.997 -0.813 8.415 1.00 20.13 C ATOM 941 C SER A 61 -3.779 0.195 9.553 1.00 3.12 C ATOM 942 O SER A 61 -3.009 1.144 9.395 1.00 1.43 O ATOM 943 CB SER A 61 -2.838 -1.844 8.433 1.00 32.21 C ATOM 944 OG SER A 61 -1.558 -1.237 8.496 1.00 31.51 O ATOM 0 H SER A 61 -3.451 -0.493 6.400 1.00 31.42 H new ATOM 0 HA SER A 61 -4.943 -1.331 8.572 1.00 20.13 H new ATOM 0 HB2 SER A 61 -2.962 -2.507 9.289 1.00 32.21 H new ATOM 0 HB3 SER A 61 -2.897 -2.464 7.538 1.00 32.21 H new ATOM 0 HG SER A 61 -1.189 -1.158 7.592 1.00 31.51 H new ATOM 950 N GLU A 62 -4.460 -0.032 10.690 1.00 12.21 N ATOM 951 CA GLU A 62 -4.357 0.839 11.879 1.00 43.40 C ATOM 952 C GLU A 62 -2.904 0.869 12.415 1.00 12.23 C ATOM 953 O GLU A 62 -2.452 1.901 12.884 1.00 10.54 O ATOM 954 CB GLU A 62 -5.347 0.400 13.011 1.00 43.34 C ATOM 955 CG GLU A 62 -5.087 -0.989 13.663 1.00 71.30 C ATOM 956 CD GLU A 62 -5.381 -2.185 12.736 1.00 40.35 C ATOM 957 OE1 GLU A 62 -6.554 -2.618 12.655 1.00 44.22 O ATOM 958 OE2 GLU A 62 -4.456 -2.669 12.042 1.00 14.24 O ATOM 0 H GLU A 62 -5.095 -0.820 10.813 1.00 12.21 H new ATOM 0 HA GLU A 62 -4.637 1.845 11.567 1.00 43.40 H new ATOM 0 HB2 GLU A 62 -5.323 1.155 13.797 1.00 43.34 H new ATOM 0 HB3 GLU A 62 -6.356 0.400 12.600 1.00 43.34 H new ATOM 0 HG2 GLU A 62 -4.046 -1.039 13.983 1.00 71.30 H new ATOM 0 HG3 GLU A 62 -5.701 -1.078 14.559 1.00 71.30 H new ATOM 965 N LEU A 63 -2.189 -0.270 12.288 1.00 2.13 N ATOM 966 CA LEU A 63 -0.780 -0.418 12.727 1.00 75.41 C ATOM 967 C LEU A 63 0.184 0.510 11.942 1.00 21.33 C ATOM 968 O LEU A 63 0.985 1.221 12.543 1.00 30.32 O ATOM 969 CB LEU A 63 -0.327 -1.890 12.567 1.00 12.00 C ATOM 970 CG LEU A 63 -1.147 -2.947 13.365 1.00 4.22 C ATOM 971 CD1 LEU A 63 -0.645 -4.367 13.060 1.00 24.11 C ATOM 972 CD2 LEU A 63 -1.125 -2.655 14.888 1.00 31.43 C ATOM 0 H LEU A 63 -2.574 -1.120 11.875 1.00 2.13 H new ATOM 0 HA LEU A 63 -0.738 -0.125 13.776 1.00 75.41 H new ATOM 0 HB2 LEU A 63 -0.369 -2.149 11.509 1.00 12.00 H new ATOM 0 HB3 LEU A 63 0.717 -1.963 12.872 1.00 12.00 H new ATOM 0 HG LEU A 63 -2.185 -2.878 13.040 1.00 4.22 H new ATOM 0 HD11 LEU A 63 -1.231 -5.090 13.628 1.00 24.11 H new ATOM 0 HD12 LEU A 63 -0.752 -4.570 11.994 1.00 24.11 H new ATOM 0 HD13 LEU A 63 0.405 -4.450 13.341 1.00 24.11 H new ATOM 0 HD21 LEU A 63 -1.707 -3.413 15.412 1.00 31.43 H new ATOM 0 HD22 LEU A 63 -0.096 -2.675 15.247 1.00 31.43 H new ATOM 0 HD23 LEU A 63 -1.556 -1.672 15.076 1.00 31.43 H new ATOM 984 N TYR A 64 0.079 0.499 10.596 1.00 4.12 N ATOM 985 CA TYR A 64 0.920 1.343 9.702 1.00 61.42 C ATOM 986 C TYR A 64 0.526 2.833 9.839 1.00 42.22 C ATOM 987 O TYR A 64 1.386 3.726 9.915 1.00 33.53 O ATOM 988 CB TYR A 64 0.767 0.850 8.227 1.00 10.13 C ATOM 989 CG TYR A 64 1.333 1.786 7.139 1.00 55.04 C ATOM 990 CD1 TYR A 64 2.704 1.923 6.948 1.00 70.14 C ATOM 991 CD2 TYR A 64 0.489 2.547 6.315 1.00 74.10 C ATOM 992 CE1 TYR A 64 3.213 2.777 5.986 1.00 52.01 C ATOM 993 CE2 TYR A 64 1.001 3.402 5.351 1.00 5.52 C ATOM 994 CZ TYR A 64 2.364 3.511 5.193 1.00 11.51 C ATOM 995 OH TYR A 64 2.887 4.364 4.237 1.00 51.00 O ATOM 0 H TYR A 64 -0.586 -0.090 10.095 1.00 4.12 H new ATOM 0 HA TYR A 64 1.966 1.251 9.993 1.00 61.42 H new ATOM 0 HB2 TYR A 64 1.258 -0.119 8.136 1.00 10.13 H new ATOM 0 HB3 TYR A 64 -0.292 0.691 8.026 1.00 10.13 H new ATOM 0 HD1 TYR A 64 3.384 1.352 7.562 1.00 70.14 H new ATOM 0 HD2 TYR A 64 -0.581 2.465 6.434 1.00 74.10 H new ATOM 0 HE1 TYR A 64 4.282 2.867 5.858 1.00 52.01 H new ATOM 0 HE2 TYR A 64 0.334 3.979 4.728 1.00 5.52 H new ATOM 0 HH TYR A 64 3.844 4.185 4.128 1.00 51.00 H new ATOM 1005 N ARG A 65 -0.793 3.059 9.892 1.00 25.20 N ATOM 1006 CA ARG A 65 -1.401 4.395 9.970 1.00 54.35 C ATOM 1007 C ARG A 65 -0.976 5.136 11.265 1.00 30.43 C ATOM 1008 O ARG A 65 -0.430 6.224 11.185 1.00 22.50 O ATOM 1009 CB ARG A 65 -2.947 4.236 9.846 1.00 32.12 C ATOM 1010 CG ARG A 65 -3.810 5.532 9.868 1.00 61.33 C ATOM 1011 CD ARG A 65 -4.331 5.898 11.274 1.00 42.54 C ATOM 1012 NE ARG A 65 -5.358 6.958 11.218 1.00 74.32 N ATOM 1013 CZ ARG A 65 -6.615 6.825 11.594 1.00 31.20 C ATOM 1014 NH1 ARG A 65 -7.063 5.706 12.081 1.00 0.45 N ATOM 1015 NH2 ARG A 65 -7.423 7.824 11.480 1.00 43.33 N ATOM 0 H ARG A 65 -1.480 2.305 9.882 1.00 25.20 H new ATOM 0 HA ARG A 65 -1.046 5.018 9.149 1.00 54.35 H new ATOM 0 HB2 ARG A 65 -3.157 3.709 8.915 1.00 32.12 H new ATOM 0 HB3 ARG A 65 -3.285 3.594 10.659 1.00 32.12 H new ATOM 0 HG2 ARG A 65 -3.217 6.361 9.481 1.00 61.33 H new ATOM 0 HG3 ARG A 65 -4.659 5.406 9.196 1.00 61.33 H new ATOM 0 HD2 ARG A 65 -4.750 5.011 11.749 1.00 42.54 H new ATOM 0 HD3 ARG A 65 -3.499 6.230 11.895 1.00 42.54 H new ATOM 0 HE ARG A 65 -5.071 7.869 10.859 1.00 74.32 H new ATOM 0 HH11 ARG A 65 -6.438 4.906 12.179 1.00 0.45 H new ATOM 0 HH12 ARG A 65 -8.040 5.628 12.365 1.00 0.45 H new ATOM 0 HH21 ARG A 65 -7.088 8.710 11.101 1.00 43.33 H new ATOM 0 HH22 ARG A 65 -8.397 7.728 11.769 1.00 43.33 H new ATOM 1029 N GLU A 66 -1.184 4.520 12.445 1.00 45.13 N ATOM 1030 CA GLU A 66 -0.872 5.163 13.755 1.00 33.55 C ATOM 1031 C GLU A 66 0.659 5.323 13.974 1.00 14.34 C ATOM 1032 O GLU A 66 1.105 6.308 14.564 1.00 11.25 O ATOM 1033 CB GLU A 66 -1.518 4.373 14.937 1.00 1.14 C ATOM 1034 CG GLU A 66 -0.852 3.016 15.282 1.00 54.53 C ATOM 1035 CD GLU A 66 -1.646 2.189 16.311 1.00 0.15 C ATOM 1036 OE1 GLU A 66 -1.760 2.634 17.473 1.00 51.31 O ATOM 1037 OE2 GLU A 66 -2.187 1.116 15.960 1.00 61.13 O ATOM 0 H GLU A 66 -1.566 3.578 12.527 1.00 45.13 H new ATOM 0 HA GLU A 66 -1.306 6.163 13.731 1.00 33.55 H new ATOM 0 HB2 GLU A 66 -1.497 5.004 15.826 1.00 1.14 H new ATOM 0 HB3 GLU A 66 -2.566 4.192 14.699 1.00 1.14 H new ATOM 0 HG2 GLU A 66 -0.738 2.433 14.368 1.00 54.53 H new ATOM 0 HG3 GLU A 66 0.150 3.200 15.670 1.00 54.53 H new ATOM 1044 N LYS A 67 1.441 4.357 13.461 1.00 13.24 N ATOM 1045 CA LYS A 67 2.921 4.323 13.598 1.00 21.43 C ATOM 1046 C LYS A 67 3.605 5.540 12.925 1.00 31.32 C ATOM 1047 O LYS A 67 4.559 6.102 13.463 1.00 52.32 O ATOM 1048 CB LYS A 67 3.441 2.997 12.984 1.00 34.34 C ATOM 1049 CG LYS A 67 4.968 2.768 13.017 1.00 3.23 C ATOM 1050 CD LYS A 67 5.352 1.396 12.409 1.00 5.40 C ATOM 1051 CE LYS A 67 6.870 1.170 12.328 1.00 54.30 C ATOM 1052 NZ LYS A 67 7.516 1.145 13.662 1.00 12.43 N ATOM 0 H LYS A 67 1.067 3.568 12.934 1.00 13.24 H new ATOM 0 HA LYS A 67 3.172 4.377 14.657 1.00 21.43 H new ATOM 0 HB2 LYS A 67 2.962 2.169 13.507 1.00 34.34 H new ATOM 0 HB3 LYS A 67 3.113 2.951 11.946 1.00 34.34 H new ATOM 0 HG2 LYS A 67 5.468 3.564 12.465 1.00 3.23 H new ATOM 0 HG3 LYS A 67 5.323 2.823 14.046 1.00 3.23 H new ATOM 0 HD2 LYS A 67 4.905 0.603 13.009 1.00 5.40 H new ATOM 0 HD3 LYS A 67 4.926 1.318 11.409 1.00 5.40 H new ATOM 0 HE2 LYS A 67 7.066 0.228 11.816 1.00 54.30 H new ATOM 0 HE3 LYS A 67 7.319 1.960 11.726 1.00 54.30 H new ATOM 0 HZ1 LYS A 67 8.538 0.990 13.550 1.00 12.43 H new ATOM 0 HZ2 LYS A 67 7.354 2.053 14.143 1.00 12.43 H new ATOM 0 HZ3 LYS A 67 7.109 0.375 14.230 1.00 12.43 H new ATOM 1066 N PHE A 68 3.112 5.923 11.734 1.00 33.02 N ATOM 1067 CA PHE A 68 3.702 7.028 10.933 1.00 63.52 C ATOM 1068 C PHE A 68 2.855 8.331 10.936 1.00 71.52 C ATOM 1069 O PHE A 68 3.349 9.377 10.512 1.00 1.25 O ATOM 1070 CB PHE A 68 3.950 6.536 9.488 1.00 71.13 C ATOM 1071 CG PHE A 68 4.937 5.368 9.395 1.00 35.34 C ATOM 1072 CD1 PHE A 68 6.293 5.563 9.650 1.00 53.50 C ATOM 1073 CD2 PHE A 68 4.513 4.084 9.064 1.00 44.04 C ATOM 1074 CE1 PHE A 68 7.188 4.515 9.570 1.00 73.34 C ATOM 1075 CE2 PHE A 68 5.412 3.038 8.985 1.00 71.45 C ATOM 1076 CZ PHE A 68 6.746 3.256 9.236 1.00 64.21 C ATOM 0 H PHE A 68 2.301 5.485 11.297 1.00 33.02 H new ATOM 0 HA PHE A 68 4.645 7.297 11.408 1.00 63.52 H new ATOM 0 HB2 PHE A 68 3.000 6.233 9.049 1.00 71.13 H new ATOM 0 HB3 PHE A 68 4.326 7.366 8.891 1.00 71.13 H new ATOM 0 HD1 PHE A 68 6.649 6.548 9.914 1.00 53.50 H new ATOM 0 HD2 PHE A 68 3.467 3.903 8.866 1.00 44.04 H new ATOM 0 HE1 PHE A 68 8.236 4.684 9.770 1.00 73.34 H new ATOM 0 HE2 PHE A 68 5.067 2.048 8.726 1.00 71.45 H new ATOM 0 HZ PHE A 68 7.448 2.438 9.171 1.00 64.21 H new ATOM 1086 N PHE A 69 1.580 8.276 11.358 1.00 14.25 N ATOM 1087 CA PHE A 69 0.741 9.503 11.493 1.00 33.43 C ATOM 1088 C PHE A 69 0.859 10.127 12.909 1.00 43.43 C ATOM 1089 O PHE A 69 0.979 11.347 13.044 1.00 5.42 O ATOM 1090 CB PHE A 69 -0.744 9.220 11.138 1.00 11.10 C ATOM 1091 CG PHE A 69 -1.628 10.473 11.109 1.00 71.01 C ATOM 1092 CD1 PHE A 69 -1.512 11.399 10.069 1.00 34.42 C ATOM 1093 CD2 PHE A 69 -2.557 10.733 12.120 1.00 41.30 C ATOM 1094 CE1 PHE A 69 -2.292 12.542 10.048 1.00 70.22 C ATOM 1095 CE2 PHE A 69 -3.336 11.874 12.094 1.00 3.15 C ATOM 1096 CZ PHE A 69 -3.204 12.778 11.058 1.00 71.32 C ATOM 0 H PHE A 69 1.103 7.411 11.611 1.00 14.25 H new ATOM 0 HA PHE A 69 1.125 10.230 10.777 1.00 33.43 H new ATOM 0 HB2 PHE A 69 -0.788 8.734 10.163 1.00 11.10 H new ATOM 0 HB3 PHE A 69 -1.153 8.516 11.863 1.00 11.10 H new ATOM 0 HD1 PHE A 69 -0.805 11.221 9.272 1.00 34.42 H new ATOM 0 HD2 PHE A 69 -2.668 10.032 12.934 1.00 41.30 H new ATOM 0 HE1 PHE A 69 -2.187 13.251 9.240 1.00 70.22 H new ATOM 0 HE2 PHE A 69 -4.049 12.059 12.884 1.00 3.15 H new ATOM 0 HZ PHE A 69 -3.814 13.669 11.038 1.00 71.32 H new ATOM 1106 N HIS A 70 0.803 9.291 13.970 1.00 23.21 N ATOM 1107 CA HIS A 70 0.837 9.795 15.377 1.00 72.35 C ATOM 1108 C HIS A 70 2.275 10.171 15.806 1.00 60.20 C ATOM 1109 O HIS A 70 2.486 11.180 16.487 1.00 44.12 O ATOM 1110 CB HIS A 70 0.274 8.738 16.368 1.00 71.41 C ATOM 1111 CG HIS A 70 -1.177 8.371 16.181 1.00 44.31 C ATOM 1112 ND1 HIS A 70 -1.869 7.629 17.111 1.00 23.24 N ATOM 1113 CD2 HIS A 70 -2.060 8.618 15.182 1.00 54.31 C ATOM 1114 CE1 HIS A 70 -3.098 7.433 16.699 1.00 62.12 C ATOM 1115 NE2 HIS A 70 -3.245 8.022 15.533 1.00 31.24 N ATOM 0 H HIS A 70 0.735 8.276 13.890 1.00 23.21 H new ATOM 0 HA HIS A 70 0.210 10.686 15.407 1.00 72.35 H new ATOM 0 HB2 HIS A 70 0.873 7.831 16.282 1.00 71.41 H new ATOM 0 HB3 HIS A 70 0.407 9.112 17.383 1.00 71.41 H new ATOM 0 HD2 HIS A 70 -1.867 9.179 14.279 1.00 54.31 H new ATOM 0 HE1 HIS A 70 -3.861 6.881 17.228 1.00 62.12 H new ATOM 0 HE2 HIS A 70 -4.101 8.034 14.979 1.00 31.24 H new ATOM 1124 N ASN A 71 3.257 9.367 15.361 1.00 32.41 N ATOM 1125 CA ASN A 71 4.674 9.500 15.780 1.00 50.13 C ATOM 1126 C ASN A 71 5.499 10.380 14.803 1.00 12.11 C ATOM 1127 O ASN A 71 6.668 10.669 15.069 1.00 4.20 O ATOM 1128 CB ASN A 71 5.314 8.093 15.888 1.00 13.11 C ATOM 1129 CG ASN A 71 4.541 7.133 16.800 1.00 30.11 C ATOM 1130 OD1 ASN A 71 3.925 7.537 17.780 1.00 51.43 O ATOM 1131 ND2 ASN A 71 4.561 5.853 16.477 1.00 13.31 N ATOM 0 H ASN A 71 3.096 8.606 14.701 1.00 32.41 H new ATOM 0 HA ASN A 71 4.686 9.996 16.750 1.00 50.13 H new ATOM 0 HB2 ASN A 71 5.383 7.657 14.891 1.00 13.11 H new ATOM 0 HB3 ASN A 71 6.333 8.195 16.262 1.00 13.11 H new ATOM 0 HD21 ASN A 71 4.056 5.175 17.048 1.00 13.31 H new ATOM 0 HD22 ASN A 71 5.081 5.542 15.656 1.00 13.31 H new ATOM 1138 N ASN A 72 4.874 10.816 13.695 1.00 34.44 N ATOM 1139 CA ASN A 72 5.567 11.561 12.616 1.00 5.44 C ATOM 1140 C ASN A 72 4.614 12.620 11.990 1.00 64.42 C ATOM 1141 O ASN A 72 3.389 12.477 12.056 1.00 31.43 O ATOM 1142 CB ASN A 72 6.070 10.547 11.543 1.00 22.31 C ATOM 1143 CG ASN A 72 7.243 11.041 10.700 1.00 70.41 C ATOM 1144 OD1 ASN A 72 7.481 12.232 10.553 1.00 20.23 O ATOM 1145 ND2 ASN A 72 7.969 10.121 10.107 1.00 14.24 N ATOM 0 H ASN A 72 3.881 10.666 13.518 1.00 34.44 H new ATOM 0 HA ASN A 72 6.424 12.095 13.026 1.00 5.44 H new ATOM 0 HB2 ASN A 72 6.363 9.624 12.044 1.00 22.31 H new ATOM 0 HB3 ASN A 72 5.241 10.300 10.879 1.00 22.31 H new ATOM 0 HD21 ASN A 72 8.749 10.394 9.510 1.00 14.24 H new ATOM 0 HD22 ASN A 72 7.752 9.134 10.244 1.00 14.24 H new ATOM 1152 N ALA A 73 5.196 13.679 11.392 1.00 75.23 N ATOM 1153 CA ALA A 73 4.442 14.778 10.736 1.00 1.32 C ATOM 1154 C ALA A 73 3.760 14.296 9.430 1.00 63.24 C ATOM 1155 O ALA A 73 4.359 13.535 8.679 1.00 44.23 O ATOM 1156 CB ALA A 73 5.389 15.957 10.441 1.00 63.42 C ATOM 0 H ALA A 73 6.208 13.801 11.348 1.00 75.23 H new ATOM 0 HA ALA A 73 3.657 15.106 11.417 1.00 1.32 H new ATOM 0 HB1 ALA A 73 4.831 16.760 9.960 1.00 63.42 H new ATOM 0 HB2 ALA A 73 5.818 16.322 11.374 1.00 63.42 H new ATOM 0 HB3 ALA A 73 6.189 15.624 9.780 1.00 63.42 H new ATOM 1162 N HIS A 74 2.508 14.751 9.176 1.00 43.11 N ATOM 1163 CA HIS A 74 1.702 14.317 7.999 1.00 2.21 C ATOM 1164 C HIS A 74 2.415 14.585 6.639 1.00 52.05 C ATOM 1165 O HIS A 74 2.250 13.809 5.702 1.00 33.40 O ATOM 1166 CB HIS A 74 0.312 14.996 8.020 1.00 2.41 C ATOM 1167 CG HIS A 74 -0.620 14.558 6.904 1.00 55.55 C ATOM 1168 ND1 HIS A 74 -1.210 15.468 6.066 1.00 20.42 N ATOM 1169 CD2 HIS A 74 -1.032 13.313 6.546 1.00 23.23 C ATOM 1170 CE1 HIS A 74 -1.953 14.774 5.231 1.00 64.10 C ATOM 1171 NE2 HIS A 74 -1.878 13.464 5.482 1.00 24.04 N ATOM 0 H HIS A 74 2.028 15.424 9.774 1.00 43.11 H new ATOM 0 HA HIS A 74 1.583 13.237 8.082 1.00 2.21 H new ATOM 0 HB2 HIS A 74 -0.165 14.788 8.978 1.00 2.41 H new ATOM 0 HB3 HIS A 74 0.448 16.076 7.960 1.00 2.41 H new ATOM 0 HD2 HIS A 74 -0.746 12.382 7.013 1.00 23.23 H new ATOM 0 HE1 HIS A 74 -2.549 15.209 4.442 1.00 64.10 H new ATOM 0 HE2 HIS A 74 -2.359 12.720 4.977 1.00 24.04 H new ATOM 1179 N ASN A 75 3.206 15.674 6.559 1.00 42.54 N ATOM 1180 CA ASN A 75 4.043 15.979 5.364 1.00 52.34 C ATOM 1181 C ASN A 75 5.028 14.810 5.075 1.00 40.13 C ATOM 1182 O ASN A 75 5.142 14.333 3.942 1.00 13.12 O ATOM 1183 CB ASN A 75 4.833 17.299 5.589 1.00 74.41 C ATOM 1184 CG ASN A 75 5.547 17.806 4.326 1.00 33.43 C ATOM 1185 OD1 ASN A 75 5.022 18.635 3.590 1.00 12.44 O ATOM 1186 ND2 ASN A 75 6.734 17.292 4.050 1.00 2.13 N ATOM 0 H ASN A 75 3.288 16.363 7.306 1.00 42.54 H new ATOM 0 HA ASN A 75 3.386 16.100 4.502 1.00 52.34 H new ATOM 0 HB2 ASN A 75 4.147 18.068 5.943 1.00 74.41 H new ATOM 0 HB3 ASN A 75 5.570 17.143 6.376 1.00 74.41 H new ATOM 0 HD21 ASN A 75 7.233 17.584 3.210 1.00 2.13 H new ATOM 0 HD22 ASN A 75 7.150 16.604 4.677 1.00 2.13 H new ATOM 1193 N ARG A 76 5.707 14.354 6.146 1.00 61.52 N ATOM 1194 CA ARG A 76 6.661 13.224 6.095 1.00 73.12 C ATOM 1195 C ARG A 76 5.926 11.870 5.903 1.00 72.40 C ATOM 1196 O ARG A 76 6.449 10.972 5.253 1.00 44.14 O ATOM 1197 CB ARG A 76 7.513 13.189 7.392 1.00 51.11 C ATOM 1198 CG ARG A 76 8.657 12.146 7.395 1.00 21.53 C ATOM 1199 CD ARG A 76 9.758 12.448 6.365 1.00 30.40 C ATOM 1200 NE ARG A 76 10.856 11.466 6.438 1.00 13.23 N ATOM 1201 CZ ARG A 76 12.003 11.639 7.061 1.00 74.42 C ATOM 1202 NH1 ARG A 76 12.290 12.744 7.677 1.00 11.44 N ATOM 1203 NH2 ARG A 76 12.870 10.695 7.049 1.00 23.10 N ATOM 0 H ARG A 76 5.610 14.760 7.077 1.00 61.52 H new ATOM 0 HA ARG A 76 7.316 13.375 5.237 1.00 73.12 H new ATOM 0 HB2 ARG A 76 7.943 14.178 7.553 1.00 51.11 H new ATOM 0 HB3 ARG A 76 6.854 12.986 8.236 1.00 51.11 H new ATOM 0 HG2 ARG A 76 9.101 12.107 8.390 1.00 21.53 H new ATOM 0 HG3 ARG A 76 8.240 11.159 7.192 1.00 21.53 H new ATOM 0 HD2 ARG A 76 9.330 12.442 5.362 1.00 30.40 H new ATOM 0 HD3 ARG A 76 10.153 13.449 6.537 1.00 30.40 H new ATOM 0 HE ARG A 76 10.714 10.574 5.964 1.00 13.23 H new ATOM 0 HH11 ARG A 76 11.618 13.511 7.688 1.00 11.44 H new ATOM 0 HH12 ARG A 76 13.188 12.846 8.150 1.00 11.44 H new ATOM 0 HH21 ARG A 76 12.667 9.823 6.561 1.00 23.10 H new ATOM 0 HH22 ARG A 76 13.763 10.816 7.528 1.00 23.10 H new ATOM 1217 N PHE A 77 4.704 11.753 6.469 1.00 61.43 N ATOM 1218 CA PHE A 77 3.823 10.561 6.313 1.00 31.31 C ATOM 1219 C PHE A 77 3.441 10.353 4.828 1.00 31.40 C ATOM 1220 O PHE A 77 3.332 9.218 4.361 1.00 62.03 O ATOM 1221 CB PHE A 77 2.546 10.725 7.194 1.00 23.31 C ATOM 1222 CG PHE A 77 1.457 9.654 6.992 1.00 14.04 C ATOM 1223 CD1 PHE A 77 1.649 8.349 7.437 1.00 31.12 C ATOM 1224 CD2 PHE A 77 0.248 9.955 6.352 1.00 24.44 C ATOM 1225 CE1 PHE A 77 0.678 7.380 7.255 1.00 34.44 C ATOM 1226 CE2 PHE A 77 -0.724 8.984 6.168 1.00 21.25 C ATOM 1227 CZ PHE A 77 -0.508 7.696 6.621 1.00 14.00 C ATOM 0 H PHE A 77 4.294 12.484 7.051 1.00 61.43 H new ATOM 0 HA PHE A 77 4.367 9.677 6.646 1.00 31.31 H new ATOM 0 HB2 PHE A 77 2.846 10.720 8.242 1.00 23.31 H new ATOM 0 HB3 PHE A 77 2.110 11.703 6.992 1.00 23.31 H new ATOM 0 HD1 PHE A 77 2.572 8.088 7.933 1.00 31.12 H new ATOM 0 HD2 PHE A 77 0.070 10.959 5.996 1.00 24.44 H new ATOM 0 HE1 PHE A 77 0.848 6.374 7.610 1.00 34.44 H new ATOM 0 HE2 PHE A 77 -1.650 9.234 5.671 1.00 21.25 H new ATOM 0 HZ PHE A 77 -1.265 6.938 6.480 1.00 14.00 H new ATOM 1237 N ILE A 78 3.233 11.474 4.112 1.00 74.44 N ATOM 1238 CA ILE A 78 2.997 11.482 2.651 1.00 31.41 C ATOM 1239 C ILE A 78 4.277 11.053 1.881 1.00 5.30 C ATOM 1240 O ILE A 78 4.197 10.262 0.940 1.00 42.53 O ATOM 1241 CB ILE A 78 2.484 12.901 2.173 1.00 3.41 C ATOM 1242 CG1 ILE A 78 1.079 13.207 2.797 1.00 64.14 C ATOM 1243 CG2 ILE A 78 2.436 13.023 0.628 1.00 75.20 C ATOM 1244 CD1 ILE A 78 0.514 14.585 2.480 1.00 63.23 C ATOM 0 H ILE A 78 3.223 12.404 4.530 1.00 74.44 H new ATOM 0 HA ILE A 78 2.217 10.754 2.426 1.00 31.41 H new ATOM 0 HB ILE A 78 3.202 13.642 2.526 1.00 3.41 H new ATOM 0 HG12 ILE A 78 0.373 12.454 2.448 1.00 64.14 H new ATOM 0 HG13 ILE A 78 1.149 13.101 3.880 1.00 64.14 H new ATOM 0 HG21 ILE A 78 2.078 14.015 0.352 1.00 75.20 H new ATOM 0 HG22 ILE A 78 3.435 12.872 0.220 1.00 75.20 H new ATOM 0 HG23 ILE A 78 1.761 12.268 0.224 1.00 75.20 H new ATOM 0 HD11 ILE A 78 -0.459 14.698 2.957 1.00 63.23 H new ATOM 0 HD12 ILE A 78 1.193 15.351 2.854 1.00 63.23 H new ATOM 0 HD13 ILE A 78 0.404 14.694 1.401 1.00 63.23 H new ATOM 1256 N GLU A 79 5.455 11.550 2.315 1.00 25.25 N ATOM 1257 CA GLU A 79 6.765 11.140 1.734 1.00 14.20 C ATOM 1258 C GLU A 79 7.023 9.618 1.900 1.00 52.42 C ATOM 1259 O GLU A 79 7.571 8.954 1.003 1.00 20.42 O ATOM 1260 CB GLU A 79 7.926 11.952 2.366 1.00 64.12 C ATOM 1261 CG GLU A 79 7.833 13.477 2.149 1.00 35.42 C ATOM 1262 CD GLU A 79 9.026 14.239 2.743 1.00 54.20 C ATOM 1263 OE1 GLU A 79 10.114 14.225 2.119 1.00 25.22 O ATOM 1264 OE2 GLU A 79 8.897 14.830 3.846 1.00 54.54 O ATOM 0 H GLU A 79 5.532 12.236 3.066 1.00 25.25 H new ATOM 0 HA GLU A 79 6.723 11.355 0.666 1.00 14.20 H new ATOM 0 HB2 GLU A 79 7.952 11.751 3.437 1.00 64.12 H new ATOM 0 HB3 GLU A 79 8.869 11.596 1.952 1.00 64.12 H new ATOM 0 HG2 GLU A 79 7.772 13.684 1.081 1.00 35.42 H new ATOM 0 HG3 GLU A 79 6.912 13.847 2.598 1.00 35.42 H new ATOM 1271 N LEU A 80 6.594 9.086 3.053 1.00 70.11 N ATOM 1272 CA LEU A 80 6.682 7.653 3.381 1.00 11.14 C ATOM 1273 C LEU A 80 5.641 6.843 2.578 1.00 71.45 C ATOM 1274 O LEU A 80 5.951 5.776 2.074 1.00 33.24 O ATOM 1275 CB LEU A 80 6.485 7.449 4.904 1.00 33.10 C ATOM 1276 CG LEU A 80 7.598 8.083 5.806 1.00 64.14 C ATOM 1277 CD1 LEU A 80 7.185 8.101 7.293 1.00 61.22 C ATOM 1278 CD2 LEU A 80 8.954 7.364 5.603 1.00 61.42 C ATOM 0 H LEU A 80 6.171 9.644 3.794 1.00 70.11 H new ATOM 0 HA LEU A 80 7.672 7.289 3.105 1.00 11.14 H new ATOM 0 HB2 LEU A 80 5.522 7.871 5.190 1.00 33.10 H new ATOM 0 HB3 LEU A 80 6.438 6.380 5.109 1.00 33.10 H new ATOM 0 HG LEU A 80 7.722 9.121 5.496 1.00 64.14 H new ATOM 0 HD11 LEU A 80 7.982 8.548 7.887 1.00 61.22 H new ATOM 0 HD12 LEU A 80 6.273 8.687 7.410 1.00 61.22 H new ATOM 0 HD13 LEU A 80 7.007 7.081 7.634 1.00 61.22 H new ATOM 0 HD21 LEU A 80 9.709 7.824 6.241 1.00 61.42 H new ATOM 0 HD22 LEU A 80 8.850 6.311 5.865 1.00 61.42 H new ATOM 0 HD23 LEU A 80 9.259 7.450 4.560 1.00 61.42 H new ATOM 1290 N ASN A 81 4.427 7.394 2.442 1.00 24.32 N ATOM 1291 CA ASN A 81 3.314 6.756 1.692 1.00 0.30 C ATOM 1292 C ASN A 81 3.705 6.525 0.205 1.00 10.42 C ATOM 1293 O ASN A 81 3.475 5.455 -0.359 1.00 3.31 O ATOM 1294 CB ASN A 81 2.048 7.653 1.789 1.00 42.34 C ATOM 1295 CG ASN A 81 0.790 7.020 1.188 1.00 31.41 C ATOM 1296 OD1 ASN A 81 0.623 5.808 1.217 1.00 64.31 O ATOM 1297 ND2 ASN A 81 -0.108 7.833 0.652 1.00 10.02 N ATOM 0 H ASN A 81 4.179 8.297 2.847 1.00 24.32 H new ATOM 0 HA ASN A 81 3.103 5.782 2.134 1.00 0.30 H new ATOM 0 HB2 ASN A 81 1.860 7.886 2.837 1.00 42.34 H new ATOM 0 HB3 ASN A 81 2.245 8.598 1.282 1.00 42.34 H new ATOM 0 HD21 ASN A 81 -0.965 7.453 0.250 1.00 10.02 H new ATOM 0 HD22 ASN A 81 0.057 8.839 0.642 1.00 10.02 H new ATOM 1304 N PHE A 82 4.337 7.552 -0.382 1.00 21.32 N ATOM 1305 CA PHE A 82 4.830 7.544 -1.779 1.00 41.14 C ATOM 1306 C PHE A 82 5.872 6.424 -2.041 1.00 11.13 C ATOM 1307 O PHE A 82 5.766 5.696 -3.038 1.00 64.04 O ATOM 1308 CB PHE A 82 5.431 8.939 -2.122 1.00 70.12 C ATOM 1309 CG PHE A 82 4.414 9.995 -2.573 1.00 24.12 C ATOM 1310 CD1 PHE A 82 3.179 10.146 -1.944 1.00 71.23 C ATOM 1311 CD2 PHE A 82 4.711 10.843 -3.638 1.00 42.24 C ATOM 1312 CE1 PHE A 82 2.281 11.109 -2.367 1.00 34.54 C ATOM 1313 CE2 PHE A 82 3.821 11.797 -4.053 1.00 41.34 C ATOM 1314 CZ PHE A 82 2.607 11.934 -3.422 1.00 64.14 C ATOM 0 H PHE A 82 4.526 8.429 0.104 1.00 21.32 H new ATOM 0 HA PHE A 82 3.980 7.333 -2.429 1.00 41.14 H new ATOM 0 HB2 PHE A 82 5.957 9.316 -1.245 1.00 70.12 H new ATOM 0 HB3 PHE A 82 6.174 8.813 -2.910 1.00 70.12 H new ATOM 0 HD1 PHE A 82 2.920 9.503 -1.116 1.00 71.23 H new ATOM 0 HD2 PHE A 82 5.660 10.746 -4.145 1.00 42.24 H new ATOM 0 HE1 PHE A 82 1.327 11.214 -1.872 1.00 34.54 H new ATOM 0 HE2 PHE A 82 4.074 12.445 -4.880 1.00 41.34 H new ATOM 0 HZ PHE A 82 1.909 12.688 -3.753 1.00 64.14 H new ATOM 1324 N LYS A 83 6.883 6.305 -1.159 1.00 63.32 N ATOM 1325 CA LYS A 83 7.933 5.259 -1.293 1.00 32.32 C ATOM 1326 C LYS A 83 7.398 3.840 -0.952 1.00 55.33 C ATOM 1327 O LYS A 83 7.885 2.839 -1.492 1.00 22.20 O ATOM 1328 CB LYS A 83 9.188 5.599 -0.439 1.00 3.12 C ATOM 1329 CG LYS A 83 8.943 5.716 1.077 1.00 15.44 C ATOM 1330 CD LYS A 83 10.210 6.052 1.912 1.00 11.43 C ATOM 1331 CE LYS A 83 10.831 7.439 1.596 1.00 51.33 C ATOM 1332 NZ LYS A 83 11.651 7.442 0.354 1.00 4.54 N ATOM 0 H LYS A 83 7.001 6.913 -0.348 1.00 63.32 H new ATOM 0 HA LYS A 83 8.230 5.249 -2.342 1.00 32.32 H new ATOM 0 HB2 LYS A 83 9.942 4.831 -0.610 1.00 3.12 H new ATOM 0 HB3 LYS A 83 9.606 6.540 -0.796 1.00 3.12 H new ATOM 0 HG2 LYS A 83 8.193 6.487 1.252 1.00 15.44 H new ATOM 0 HG3 LYS A 83 8.524 4.777 1.438 1.00 15.44 H new ATOM 0 HD2 LYS A 83 9.954 6.014 2.971 1.00 11.43 H new ATOM 0 HD3 LYS A 83 10.961 5.282 1.737 1.00 11.43 H new ATOM 0 HE2 LYS A 83 10.032 8.174 1.499 1.00 51.33 H new ATOM 0 HE3 LYS A 83 11.452 7.752 2.435 1.00 51.33 H new ATOM 0 HZ1 LYS A 83 12.577 7.873 0.550 1.00 4.54 H new ATOM 0 HZ2 LYS A 83 11.787 6.465 0.025 1.00 4.54 H new ATOM 0 HZ3 LYS A 83 11.163 7.990 -0.383 1.00 4.54 H new ATOM 1346 N HIS A 84 6.389 3.774 -0.064 1.00 13.01 N ATOM 1347 CA HIS A 84 5.784 2.499 0.394 1.00 53.34 C ATOM 1348 C HIS A 84 4.735 1.927 -0.595 1.00 54.34 C ATOM 1349 O HIS A 84 4.440 0.734 -0.541 1.00 35.04 O ATOM 1350 CB HIS A 84 5.164 2.668 1.803 1.00 12.35 C ATOM 1351 CG HIS A 84 6.170 2.929 2.903 1.00 51.40 C ATOM 1352 ND1 HIS A 84 5.854 3.614 4.059 1.00 33.41 N ATOM 1353 CD2 HIS A 84 7.465 2.548 3.051 1.00 50.20 C ATOM 1354 CE1 HIS A 84 6.898 3.639 4.863 1.00 72.30 C ATOM 1355 NE2 HIS A 84 7.889 3.001 4.280 1.00 22.24 N ATOM 0 H HIS A 84 5.967 4.600 0.359 1.00 13.01 H new ATOM 0 HA HIS A 84 6.595 1.772 0.438 1.00 53.34 H new ATOM 0 HB2 HIS A 84 4.451 3.492 1.776 1.00 12.35 H new ATOM 0 HB3 HIS A 84 4.601 1.768 2.049 1.00 12.35 H new ATOM 0 HD2 HIS A 84 8.054 1.992 2.336 1.00 50.20 H new ATOM 0 HE1 HIS A 84 6.934 4.105 5.837 1.00 72.30 H new ATOM 0 HE2 HIS A 84 8.820 2.864 4.674 1.00 22.24 H new ATOM 1364 N LEU A 85 4.133 2.770 -1.461 1.00 31.14 N ATOM 1365 CA LEU A 85 3.196 2.269 -2.508 1.00 54.30 C ATOM 1366 C LEU A 85 3.847 2.215 -3.913 1.00 71.11 C ATOM 1367 O LEU A 85 3.518 1.339 -4.719 1.00 10.14 O ATOM 1368 CB LEU A 85 1.923 3.170 -2.576 1.00 13.44 C ATOM 1369 CG LEU A 85 1.075 3.295 -1.266 1.00 20.14 C ATOM 1370 CD1 LEU A 85 -0.198 4.142 -1.509 1.00 74.34 C ATOM 1371 CD2 LEU A 85 0.733 1.906 -0.677 1.00 23.15 C ATOM 0 H LEU A 85 4.270 3.781 -1.464 1.00 31.14 H new ATOM 0 HA LEU A 85 2.927 1.253 -2.220 1.00 54.30 H new ATOM 0 HB2 LEU A 85 2.231 4.171 -2.878 1.00 13.44 H new ATOM 0 HB3 LEU A 85 1.276 2.785 -3.364 1.00 13.44 H new ATOM 0 HG LEU A 85 1.681 3.816 -0.525 1.00 20.14 H new ATOM 0 HD11 LEU A 85 -0.770 4.214 -0.584 1.00 74.34 H new ATOM 0 HD12 LEU A 85 0.087 5.141 -1.838 1.00 74.34 H new ATOM 0 HD13 LEU A 85 -0.809 3.668 -2.277 1.00 74.34 H new ATOM 0 HD21 LEU A 85 0.144 2.031 0.232 1.00 23.15 H new ATOM 0 HD22 LEU A 85 0.159 1.333 -1.406 1.00 23.15 H new ATOM 0 HD23 LEU A 85 1.655 1.374 -0.441 1.00 23.15 H new ATOM 1383 N LEU A 86 4.794 3.137 -4.197 1.00 71.22 N ATOM 1384 CA LEU A 86 5.319 3.339 -5.583 1.00 73.14 C ATOM 1385 C LEU A 86 6.859 3.451 -5.669 1.00 74.44 C ATOM 1386 O LEU A 86 7.433 3.277 -6.753 1.00 72.54 O ATOM 1387 CB LEU A 86 4.695 4.623 -6.198 1.00 13.53 C ATOM 1388 CG LEU A 86 3.146 4.629 -6.377 1.00 74.21 C ATOM 1389 CD1 LEU A 86 2.672 5.991 -6.895 1.00 75.13 C ATOM 1390 CD2 LEU A 86 2.672 3.484 -7.305 1.00 51.54 C ATOM 0 H LEU A 86 5.212 3.752 -3.499 1.00 71.22 H new ATOM 0 HA LEU A 86 5.034 2.446 -6.139 1.00 73.14 H new ATOM 0 HB2 LEU A 86 4.969 5.470 -5.569 1.00 13.53 H new ATOM 0 HB3 LEU A 86 5.151 4.790 -7.174 1.00 13.53 H new ATOM 0 HG LEU A 86 2.697 4.456 -5.399 1.00 74.21 H new ATOM 0 HD11 LEU A 86 1.589 5.978 -7.014 1.00 75.13 H new ATOM 0 HD12 LEU A 86 2.949 6.768 -6.182 1.00 75.13 H new ATOM 0 HD13 LEU A 86 3.141 6.197 -7.857 1.00 75.13 H new ATOM 0 HD21 LEU A 86 1.587 3.522 -7.405 1.00 51.54 H new ATOM 0 HD22 LEU A 86 3.131 3.598 -8.287 1.00 51.54 H new ATOM 0 HD23 LEU A 86 2.964 2.525 -6.877 1.00 51.54 H new ATOM 1402 N GLY A 87 7.523 3.769 -4.556 1.00 63.52 N ATOM 1403 CA GLY A 87 8.944 4.155 -4.602 1.00 23.13 C ATOM 1404 C GLY A 87 9.149 5.608 -5.062 1.00 51.53 C ATOM 1405 O GLY A 87 10.261 5.993 -5.440 1.00 61.13 O ATOM 0 H GLY A 87 7.112 3.769 -3.623 1.00 63.52 H new ATOM 0 HA2 GLY A 87 9.384 4.026 -3.613 1.00 23.13 H new ATOM 0 HA3 GLY A 87 9.477 3.486 -5.278 1.00 23.13 H new ATOM 1409 N ARG A 88 8.059 6.420 -5.035 1.00 33.12 N ATOM 1410 CA ARG A 88 8.112 7.867 -5.360 1.00 24.50 C ATOM 1411 C ARG A 88 8.850 8.674 -4.260 1.00 34.33 C ATOM 1412 O ARG A 88 8.762 8.362 -3.066 1.00 23.01 O ATOM 1413 CB ARG A 88 6.689 8.486 -5.518 1.00 63.55 C ATOM 1414 CG ARG A 88 5.958 8.277 -6.862 1.00 63.14 C ATOM 1415 CD ARG A 88 4.673 9.141 -6.906 1.00 31.24 C ATOM 1416 NE ARG A 88 3.950 9.095 -8.188 1.00 52.24 N ATOM 1417 CZ ARG A 88 3.283 10.110 -8.711 1.00 30.23 C ATOM 1418 NH1 ARG A 88 3.297 11.294 -8.161 1.00 34.22 N ATOM 1419 NH2 ARG A 88 2.598 9.936 -9.778 1.00 64.24 N ATOM 0 H ARG A 88 7.126 6.091 -4.789 1.00 33.12 H new ATOM 0 HA ARG A 88 8.652 7.933 -6.305 1.00 24.50 H new ATOM 0 HB2 ARG A 88 6.058 8.081 -4.727 1.00 63.55 H new ATOM 0 HB3 ARG A 88 6.769 9.559 -5.344 1.00 63.55 H new ATOM 0 HG2 ARG A 88 6.615 8.546 -7.689 1.00 63.14 H new ATOM 0 HG3 ARG A 88 5.703 7.225 -6.987 1.00 63.14 H new ATOM 0 HD2 ARG A 88 4.002 8.812 -6.113 1.00 31.24 H new ATOM 0 HD3 ARG A 88 4.939 10.176 -6.690 1.00 31.24 H new ATOM 0 HE ARG A 88 3.965 8.218 -8.709 1.00 52.24 H new ATOM 0 HH11 ARG A 88 3.831 11.453 -7.307 1.00 34.22 H new ATOM 0 HH12 ARG A 88 2.774 12.060 -8.585 1.00 34.22 H new ATOM 0 HH21 ARG A 88 2.568 9.018 -10.221 1.00 64.24 H new ATOM 0 HH22 ARG A 88 2.082 10.716 -10.185 1.00 64.24 H new ATOM 1433 N ALA A 89 9.542 9.734 -4.691 1.00 22.22 N ATOM 1434 CA ALA A 89 10.105 10.765 -3.804 1.00 3.10 C ATOM 1435 C ALA A 89 9.407 12.119 -4.101 1.00 74.25 C ATOM 1436 O ALA A 89 9.578 12.657 -5.205 1.00 10.05 O ATOM 1437 CB ALA A 89 11.630 10.868 -4.000 1.00 55.23 C ATOM 0 H ALA A 89 9.731 9.905 -5.679 1.00 22.22 H new ATOM 0 HA ALA A 89 9.927 10.495 -2.763 1.00 3.10 H new ATOM 0 HB1 ALA A 89 12.031 11.635 -3.337 1.00 55.23 H new ATOM 0 HB2 ALA A 89 12.092 9.909 -3.767 1.00 55.23 H new ATOM 0 HB3 ALA A 89 11.847 11.134 -5.035 1.00 55.23 H new ATOM 1443 N PRO A 90 8.559 12.672 -3.153 1.00 10.44 N ATOM 1444 CA PRO A 90 7.943 14.008 -3.321 1.00 53.21 C ATOM 1445 C PRO A 90 9.011 15.130 -3.296 1.00 71.33 C ATOM 1446 O PRO A 90 9.376 15.651 -2.234 1.00 24.42 O ATOM 1447 CB PRO A 90 6.932 14.132 -2.145 1.00 41.32 C ATOM 1448 CG PRO A 90 6.842 12.762 -1.548 1.00 70.42 C ATOM 1449 CD PRO A 90 8.137 12.045 -1.879 1.00 71.24 C ATOM 0 HA PRO A 90 7.447 14.115 -4.286 1.00 53.21 H new ATOM 0 HB2 PRO A 90 7.274 14.859 -1.409 1.00 41.32 H new ATOM 0 HB3 PRO A 90 5.958 14.471 -2.499 1.00 41.32 H new ATOM 0 HG2 PRO A 90 6.699 12.821 -0.469 1.00 70.42 H new ATOM 0 HG3 PRO A 90 5.987 12.220 -1.954 1.00 70.42 H new ATOM 0 HD2 PRO A 90 8.884 12.182 -1.097 1.00 71.24 H new ATOM 0 HD3 PRO A 90 7.985 10.971 -1.990 1.00 71.24 H new ATOM 1457 N TYR A 91 9.538 15.434 -4.489 1.00 52.24 N ATOM 1458 CA TYR A 91 10.614 16.428 -4.703 1.00 65.14 C ATOM 1459 C TYR A 91 10.156 17.882 -4.405 1.00 32.11 C ATOM 1460 O TYR A 91 10.979 18.744 -4.075 1.00 50.22 O ATOM 1461 CB TYR A 91 11.154 16.282 -6.160 1.00 44.31 C ATOM 1462 CG TYR A 91 10.060 16.278 -7.257 1.00 55.24 C ATOM 1463 CD1 TYR A 91 9.444 17.460 -7.655 1.00 54.13 C ATOM 1464 CD2 TYR A 91 9.633 15.090 -7.869 1.00 20.02 C ATOM 1465 CE1 TYR A 91 8.453 17.477 -8.605 1.00 14.42 C ATOM 1466 CE2 TYR A 91 8.639 15.102 -8.833 1.00 53.33 C ATOM 1467 CZ TYR A 91 8.054 16.301 -9.195 1.00 64.45 C ATOM 1468 OH TYR A 91 7.061 16.319 -10.151 1.00 3.30 O ATOM 0 H TYR A 91 9.227 14.991 -5.353 1.00 52.24 H new ATOM 0 HA TYR A 91 11.416 16.225 -3.994 1.00 65.14 H new ATOM 0 HB2 TYR A 91 11.847 17.099 -6.360 1.00 44.31 H new ATOM 0 HB3 TYR A 91 11.724 15.356 -6.231 1.00 44.31 H new ATOM 0 HD1 TYR A 91 9.754 18.391 -7.204 1.00 54.13 H new ATOM 0 HD2 TYR A 91 10.086 14.152 -7.584 1.00 20.02 H new ATOM 0 HE1 TYR A 91 7.989 18.410 -8.888 1.00 14.42 H new ATOM 0 HE2 TYR A 91 8.323 14.180 -9.299 1.00 53.33 H new ATOM 0 HH TYR A 91 6.897 15.407 -10.470 1.00 3.30 H new ATOM 1478 N ASP A 92 8.837 18.139 -4.525 1.00 22.43 N ATOM 1479 CA ASP A 92 8.243 19.478 -4.290 1.00 75.22 C ATOM 1480 C ASP A 92 6.882 19.382 -3.572 1.00 10.33 C ATOM 1481 O ASP A 92 6.159 18.381 -3.672 1.00 33.43 O ATOM 1482 CB ASP A 92 8.125 20.299 -5.610 1.00 20.23 C ATOM 1483 CG ASP A 92 9.455 20.961 -6.011 1.00 51.54 C ATOM 1484 OD1 ASP A 92 9.900 21.881 -5.289 1.00 53.33 O ATOM 1485 OD2 ASP A 92 10.057 20.576 -7.031 1.00 53.25 O ATOM 0 H ASP A 92 8.153 17.429 -4.786 1.00 22.43 H new ATOM 0 HA ASP A 92 8.925 20.014 -3.630 1.00 75.22 H new ATOM 0 HB2 ASP A 92 7.792 19.643 -6.414 1.00 20.23 H new ATOM 0 HB3 ASP A 92 7.362 21.068 -5.489 1.00 20.23 H new ATOM 1490 N GLN A 93 6.547 20.481 -2.877 1.00 0.53 N ATOM 1491 CA GLN A 93 5.409 20.563 -1.935 1.00 45.21 C ATOM 1492 C GLN A 93 4.025 20.569 -2.618 1.00 31.31 C ATOM 1493 O GLN A 93 3.048 20.231 -1.968 1.00 14.40 O ATOM 1494 CB GLN A 93 5.548 21.795 -1.000 1.00 60.41 C ATOM 1495 CG GLN A 93 6.792 21.765 -0.089 1.00 55.45 C ATOM 1496 CD GLN A 93 6.769 22.848 0.995 1.00 1.14 C ATOM 1497 OE1 GLN A 93 7.248 23.960 0.803 1.00 53.54 O ATOM 1498 NE2 GLN A 93 6.201 22.529 2.144 1.00 21.24 N ATOM 0 H GLN A 93 7.066 21.356 -2.952 1.00 0.53 H new ATOM 0 HA GLN A 93 5.456 19.647 -1.346 1.00 45.21 H new ATOM 0 HB2 GLN A 93 5.581 22.697 -1.610 1.00 60.41 H new ATOM 0 HB3 GLN A 93 4.657 21.865 -0.376 1.00 60.41 H new ATOM 0 HG2 GLN A 93 6.864 20.786 0.385 1.00 55.45 H new ATOM 0 HG3 GLN A 93 7.686 21.890 -0.700 1.00 55.45 H new ATOM 0 HE21 GLN A 93 5.810 21.597 2.278 1.00 21.24 H new ATOM 0 HE22 GLN A 93 6.153 23.215 2.897 1.00 21.24 H new ATOM 1507 N ALA A 94 3.938 20.990 -3.895 1.00 60.53 N ATOM 1508 CA ALA A 94 2.657 20.993 -4.661 1.00 3.43 C ATOM 1509 C ALA A 94 1.997 19.586 -4.724 1.00 50.45 C ATOM 1510 O ALA A 94 0.785 19.444 -4.526 1.00 54.51 O ATOM 1511 CB ALA A 94 2.892 21.548 -6.075 1.00 33.33 C ATOM 0 H ALA A 94 4.737 21.335 -4.427 1.00 60.53 H new ATOM 0 HA ALA A 94 1.960 21.641 -4.130 1.00 3.43 H new ATOM 0 HB1 ALA A 94 1.952 21.547 -6.627 1.00 33.33 H new ATOM 0 HB2 ALA A 94 3.272 22.567 -6.007 1.00 33.33 H new ATOM 0 HB3 ALA A 94 3.619 20.924 -6.595 1.00 33.33 H new ATOM 1517 N GLU A 95 2.824 18.556 -4.978 1.00 64.22 N ATOM 1518 CA GLU A 95 2.380 17.138 -5.000 1.00 54.02 C ATOM 1519 C GLU A 95 1.933 16.658 -3.587 1.00 2.12 C ATOM 1520 O GLU A 95 0.952 15.919 -3.444 1.00 3.22 O ATOM 1521 CB GLU A 95 3.533 16.248 -5.543 1.00 13.44 C ATOM 1522 CG GLU A 95 3.182 14.756 -5.749 1.00 51.44 C ATOM 1523 CD GLU A 95 2.146 14.471 -6.864 1.00 55.24 C ATOM 1524 OE1 GLU A 95 2.555 14.278 -8.035 1.00 33.13 O ATOM 1525 OE2 GLU A 95 0.930 14.405 -6.571 1.00 60.22 O ATOM 0 H GLU A 95 3.818 18.676 -5.174 1.00 64.22 H new ATOM 0 HA GLU A 95 1.515 17.054 -5.657 1.00 54.02 H new ATOM 0 HB2 GLU A 95 3.868 16.659 -6.495 1.00 13.44 H new ATOM 0 HB3 GLU A 95 4.375 16.313 -4.853 1.00 13.44 H new ATOM 0 HG2 GLU A 95 4.098 14.212 -5.979 1.00 51.44 H new ATOM 0 HG3 GLU A 95 2.801 14.356 -4.810 1.00 51.44 H new ATOM 1532 N VAL A 96 2.650 17.126 -2.548 1.00 14.44 N ATOM 1533 CA VAL A 96 2.357 16.792 -1.135 1.00 63.21 C ATOM 1534 C VAL A 96 1.015 17.435 -0.691 1.00 73.11 C ATOM 1535 O VAL A 96 0.172 16.783 -0.080 1.00 52.22 O ATOM 1536 CB VAL A 96 3.519 17.282 -0.189 1.00 73.13 C ATOM 1537 CG1 VAL A 96 3.256 16.901 1.289 1.00 1.43 C ATOM 1538 CG2 VAL A 96 4.894 16.751 -0.664 1.00 31.42 C ATOM 0 H VAL A 96 3.451 17.748 -2.661 1.00 14.44 H new ATOM 0 HA VAL A 96 2.276 15.708 -1.057 1.00 63.21 H new ATOM 0 HB VAL A 96 3.542 18.370 -0.246 1.00 73.13 H new ATOM 0 HG11 VAL A 96 4.079 17.256 1.908 1.00 1.43 H new ATOM 0 HG12 VAL A 96 2.326 17.361 1.623 1.00 1.43 H new ATOM 0 HG13 VAL A 96 3.177 15.817 1.377 1.00 1.43 H new ATOM 0 HG21 VAL A 96 5.674 17.107 0.009 1.00 31.42 H new ATOM 0 HG22 VAL A 96 4.883 15.661 -0.663 1.00 31.42 H new ATOM 0 HG23 VAL A 96 5.094 17.111 -1.673 1.00 31.42 H new ATOM 1548 N ALA A 97 0.842 18.715 -1.060 1.00 1.35 N ATOM 1549 CA ALA A 97 -0.339 19.540 -0.718 1.00 51.01 C ATOM 1550 C ALA A 97 -1.613 19.042 -1.430 1.00 42.21 C ATOM 1551 O ALA A 97 -2.710 19.112 -0.869 1.00 21.41 O ATOM 1552 CB ALA A 97 -0.070 21.020 -1.062 1.00 45.21 C ATOM 0 H ALA A 97 1.532 19.220 -1.617 1.00 1.35 H new ATOM 0 HA ALA A 97 -0.510 19.447 0.355 1.00 51.01 H new ATOM 0 HB1 ALA A 97 -0.945 21.618 -0.807 1.00 45.21 H new ATOM 0 HB2 ALA A 97 0.790 21.375 -0.494 1.00 45.21 H new ATOM 0 HB3 ALA A 97 0.135 21.114 -2.128 1.00 45.21 H new ATOM 1558 N ALA A 98 -1.447 18.544 -2.669 1.00 41.31 N ATOM 1559 CA ALA A 98 -2.539 17.919 -3.447 1.00 3.21 C ATOM 1560 C ALA A 98 -3.098 16.664 -2.730 1.00 61.13 C ATOM 1561 O ALA A 98 -4.314 16.484 -2.615 1.00 12.21 O ATOM 1562 CB ALA A 98 -2.035 17.561 -4.855 1.00 10.43 C ATOM 0 H ALA A 98 -0.554 18.562 -3.161 1.00 41.31 H new ATOM 0 HA ALA A 98 -3.355 18.637 -3.531 1.00 3.21 H new ATOM 0 HB1 ALA A 98 -2.843 17.101 -5.424 1.00 10.43 H new ATOM 0 HB2 ALA A 98 -1.702 18.466 -5.363 1.00 10.43 H new ATOM 0 HB3 ALA A 98 -1.202 16.862 -4.777 1.00 10.43 H new ATOM 1568 N HIS A 99 -2.181 15.813 -2.238 1.00 44.40 N ATOM 1569 CA HIS A 99 -2.534 14.583 -1.485 1.00 70.32 C ATOM 1570 C HIS A 99 -3.017 14.876 -0.049 1.00 34.43 C ATOM 1571 O HIS A 99 -3.821 14.125 0.497 1.00 63.40 O ATOM 1572 CB HIS A 99 -1.339 13.597 -1.495 1.00 44.50 C ATOM 1573 CG HIS A 99 -1.203 12.887 -2.815 1.00 72.25 C ATOM 1574 ND1 HIS A 99 -1.683 11.615 -3.019 1.00 52.15 N ATOM 1575 CD2 HIS A 99 -0.718 13.292 -4.011 1.00 23.23 C ATOM 1576 CE1 HIS A 99 -1.508 11.271 -4.265 1.00 62.33 C ATOM 1577 NE2 HIS A 99 -0.926 12.268 -4.896 1.00 44.14 N ATOM 0 H HIS A 99 -1.176 15.952 -2.347 1.00 44.40 H new ATOM 0 HA HIS A 99 -3.380 14.119 -1.992 1.00 70.32 H new ATOM 0 HB2 HIS A 99 -0.419 14.141 -1.280 1.00 44.50 H new ATOM 0 HB3 HIS A 99 -1.469 12.862 -0.700 1.00 44.50 H new ATOM 0 HD2 HIS A 99 -0.254 14.243 -4.227 1.00 23.23 H new ATOM 0 HE1 HIS A 99 -1.793 10.327 -4.705 1.00 62.33 H new ATOM 0 HE2 HIS A 99 -0.671 12.277 -5.884 1.00 44.14 H new ATOM 1586 N ALA A 100 -2.519 15.968 0.552 1.00 70.03 N ATOM 1587 CA ALA A 100 -3.003 16.459 1.862 1.00 25.32 C ATOM 1588 C ALA A 100 -4.460 16.978 1.765 1.00 54.15 C ATOM 1589 O ALA A 100 -5.281 16.740 2.657 1.00 62.51 O ATOM 1590 CB ALA A 100 -2.063 17.553 2.391 1.00 5.45 C ATOM 0 H ALA A 100 -1.773 16.536 0.150 1.00 70.03 H new ATOM 0 HA ALA A 100 -3.001 15.626 2.565 1.00 25.32 H new ATOM 0 HB1 ALA A 100 -2.426 17.909 3.355 1.00 5.45 H new ATOM 0 HB2 ALA A 100 -1.059 17.144 2.509 1.00 5.45 H new ATOM 0 HB3 ALA A 100 -2.036 18.383 1.684 1.00 5.45 H new ATOM 1596 N ALA A 101 -4.769 17.662 0.648 1.00 2.32 N ATOM 1597 CA ALA A 101 -6.123 18.200 0.372 1.00 64.34 C ATOM 1598 C ALA A 101 -7.138 17.056 0.106 1.00 71.24 C ATOM 1599 O ALA A 101 -8.277 17.099 0.584 1.00 50.21 O ATOM 1600 CB ALA A 101 -6.071 19.168 -0.819 1.00 72.13 C ATOM 0 H ALA A 101 -4.093 17.859 -0.089 1.00 2.32 H new ATOM 0 HA ALA A 101 -6.463 18.744 1.253 1.00 64.34 H new ATOM 0 HB1 ALA A 101 -7.070 19.558 -1.015 1.00 72.13 H new ATOM 0 HB2 ALA A 101 -5.398 19.993 -0.588 1.00 72.13 H new ATOM 0 HB3 ALA A 101 -5.708 18.640 -1.701 1.00 72.13 H new ATOM 1606 N THR A 102 -6.694 16.036 -0.661 1.00 34.14 N ATOM 1607 CA THR A 102 -7.497 14.813 -0.946 1.00 54.10 C ATOM 1608 C THR A 102 -7.754 14.003 0.348 1.00 2.21 C ATOM 1609 O THR A 102 -8.862 13.499 0.570 1.00 22.00 O ATOM 1610 CB THR A 102 -6.801 13.900 -2.019 1.00 31.44 C ATOM 1611 OG1 THR A 102 -6.574 14.660 -3.219 1.00 5.35 O ATOM 1612 CG2 THR A 102 -7.634 12.643 -2.373 1.00 12.42 C ATOM 0 H THR A 102 -5.774 16.031 -1.101 1.00 34.14 H new ATOM 0 HA THR A 102 -8.453 15.146 -1.350 1.00 54.10 H new ATOM 0 HB THR A 102 -5.861 13.560 -1.585 1.00 31.44 H new ATOM 0 HG1 THR A 102 -5.833 15.285 -3.075 1.00 5.35 H new ATOM 0 HG21 THR A 102 -7.102 12.052 -3.119 1.00 12.42 H new ATOM 0 HG22 THR A 102 -7.786 12.043 -1.476 1.00 12.42 H new ATOM 0 HG23 THR A 102 -8.601 12.948 -2.774 1.00 12.42 H new ATOM 1620 N TYR A 103 -6.709 13.899 1.191 1.00 54.22 N ATOM 1621 CA TYR A 103 -6.781 13.304 2.546 1.00 42.41 C ATOM 1622 C TYR A 103 -7.897 13.947 3.419 1.00 44.43 C ATOM 1623 O TYR A 103 -8.689 13.238 4.038 1.00 43.02 O ATOM 1624 CB TYR A 103 -5.392 13.452 3.240 1.00 4.41 C ATOM 1625 CG TYR A 103 -5.352 13.082 4.740 1.00 44.33 C ATOM 1626 CD1 TYR A 103 -5.230 11.758 5.154 1.00 41.23 C ATOM 1627 CD2 TYR A 103 -5.450 14.066 5.736 1.00 13.13 C ATOM 1628 CE1 TYR A 103 -5.211 11.428 6.495 1.00 52.21 C ATOM 1629 CE2 TYR A 103 -5.427 13.735 7.073 1.00 74.41 C ATOM 1630 CZ TYR A 103 -5.310 12.416 7.446 1.00 20.21 C ATOM 1631 OH TYR A 103 -5.310 12.083 8.781 1.00 41.51 O ATOM 0 H TYR A 103 -5.775 14.230 0.949 1.00 54.22 H new ATOM 0 HA TYR A 103 -7.038 12.250 2.440 1.00 42.41 H new ATOM 0 HB2 TYR A 103 -4.673 12.827 2.711 1.00 4.41 H new ATOM 0 HB3 TYR A 103 -5.059 14.484 3.130 1.00 4.41 H new ATOM 0 HD1 TYR A 103 -5.149 10.976 4.414 1.00 41.23 H new ATOM 0 HD2 TYR A 103 -5.545 15.103 5.449 1.00 13.13 H new ATOM 0 HE1 TYR A 103 -5.118 10.395 6.796 1.00 52.21 H new ATOM 0 HE2 TYR A 103 -5.500 14.507 7.825 1.00 74.41 H new ATOM 0 HH TYR A 103 -4.454 12.341 9.183 1.00 41.51 H new ATOM 1641 N HIS A 104 -7.927 15.288 3.483 1.00 62.40 N ATOM 1642 CA HIS A 104 -8.891 16.024 4.341 1.00 43.24 C ATOM 1643 C HIS A 104 -10.328 16.035 3.757 1.00 2.44 C ATOM 1644 O HIS A 104 -11.302 15.890 4.504 1.00 0.32 O ATOM 1645 CB HIS A 104 -8.402 17.471 4.607 1.00 24.44 C ATOM 1646 CG HIS A 104 -7.250 17.554 5.577 1.00 4.34 C ATOM 1647 ND1 HIS A 104 -7.392 17.273 6.918 1.00 33.21 N ATOM 1648 CD2 HIS A 104 -5.947 17.887 5.412 1.00 72.24 C ATOM 1649 CE1 HIS A 104 -6.242 17.426 7.527 1.00 41.03 C ATOM 1650 NE2 HIS A 104 -5.348 17.797 6.641 1.00 20.12 N ATOM 0 H HIS A 104 -7.298 15.891 2.954 1.00 62.40 H new ATOM 0 HA HIS A 104 -8.937 15.486 5.288 1.00 43.24 H new ATOM 0 HB2 HIS A 104 -8.102 17.923 3.662 1.00 24.44 H new ATOM 0 HB3 HIS A 104 -9.233 18.061 4.993 1.00 24.44 H new ATOM 0 HD2 HIS A 104 -5.470 18.170 4.485 1.00 72.24 H new ATOM 0 HE1 HIS A 104 -6.061 17.273 8.581 1.00 41.03 H new ATOM 0 HE2 HIS A 104 -4.365 17.988 6.836 1.00 20.12 H new ATOM 1659 N SER A 105 -10.452 16.196 2.429 1.00 20.03 N ATOM 1660 CA SER A 105 -11.772 16.378 1.770 1.00 72.03 C ATOM 1661 C SER A 105 -12.490 15.039 1.472 1.00 63.24 C ATOM 1662 O SER A 105 -13.717 14.949 1.589 1.00 10.10 O ATOM 1663 CB SER A 105 -11.588 17.169 0.452 1.00 44.43 C ATOM 1664 OG SER A 105 -12.807 17.297 -0.270 1.00 64.52 O ATOM 0 H SER A 105 -9.661 16.205 1.785 1.00 20.03 H new ATOM 0 HA SER A 105 -12.402 16.931 2.467 1.00 72.03 H new ATOM 0 HB2 SER A 105 -11.194 18.160 0.677 1.00 44.43 H new ATOM 0 HB3 SER A 105 -10.849 16.666 -0.172 1.00 44.43 H new ATOM 0 HG SER A 105 -12.648 17.803 -1.094 1.00 64.52 H new ATOM 1670 N HIS A 106 -11.723 14.008 1.070 1.00 41.24 N ATOM 1671 CA HIS A 106 -12.295 12.688 0.673 1.00 41.23 C ATOM 1672 C HIS A 106 -11.933 11.542 1.650 1.00 2.21 C ATOM 1673 O HIS A 106 -12.584 10.491 1.636 1.00 62.42 O ATOM 1674 CB HIS A 106 -11.806 12.333 -0.758 1.00 35.13 C ATOM 1675 CG HIS A 106 -12.052 13.420 -1.778 1.00 13.34 C ATOM 1676 ND1 HIS A 106 -13.292 13.680 -2.320 1.00 42.33 N ATOM 1677 CD2 HIS A 106 -11.208 14.322 -2.348 1.00 32.45 C ATOM 1678 CE1 HIS A 106 -13.206 14.684 -3.165 1.00 11.31 C ATOM 1679 NE2 HIS A 106 -11.957 15.093 -3.204 1.00 33.11 N ATOM 0 H HIS A 106 -10.706 14.054 1.008 1.00 41.24 H new ATOM 0 HA HIS A 106 -13.380 12.786 0.701 1.00 41.23 H new ATOM 0 HB2 HIS A 106 -10.738 12.117 -0.723 1.00 35.13 H new ATOM 0 HB3 HIS A 106 -12.305 11.421 -1.086 1.00 35.13 H new ATOM 0 HD2 HIS A 106 -10.148 14.415 -2.163 1.00 32.45 H new ATOM 0 HE1 HIS A 106 -14.024 15.103 -3.732 1.00 11.31 H new ATOM 0 HE2 HIS A 106 -11.602 15.859 -3.777 1.00 33.11 H new ATOM 1688 N GLY A 107 -10.915 11.752 2.502 1.00 44.43 N ATOM 1689 CA GLY A 107 -10.424 10.705 3.423 1.00 55.50 C ATOM 1690 C GLY A 107 -9.141 10.027 2.933 1.00 52.13 C ATOM 1691 O GLY A 107 -8.842 10.054 1.729 1.00 12.20 O ATOM 0 H GLY A 107 -10.414 12.637 2.574 1.00 44.43 H new ATOM 0 HA2 GLY A 107 -10.243 11.147 4.403 1.00 55.50 H new ATOM 0 HA3 GLY A 107 -11.200 9.950 3.552 1.00 55.50 H new ATOM 1695 N TYR A 108 -8.386 9.405 3.873 1.00 24.05 N ATOM 1696 CA TYR A 108 -7.095 8.739 3.560 1.00 51.33 C ATOM 1697 C TYR A 108 -7.274 7.552 2.588 1.00 74.14 C ATOM 1698 O TYR A 108 -6.421 7.322 1.740 1.00 31.52 O ATOM 1699 CB TYR A 108 -6.357 8.279 4.857 1.00 74.14 C ATOM 1700 CG TYR A 108 -7.011 7.117 5.642 1.00 42.10 C ATOM 1701 CD1 TYR A 108 -8.171 7.313 6.395 1.00 2.03 C ATOM 1702 CD2 TYR A 108 -6.451 5.830 5.633 1.00 44.12 C ATOM 1703 CE1 TYR A 108 -8.748 6.274 7.107 1.00 41.20 C ATOM 1704 CE2 TYR A 108 -7.030 4.792 6.341 1.00 55.33 C ATOM 1705 CZ TYR A 108 -8.177 5.020 7.076 1.00 10.21 C ATOM 1706 OH TYR A 108 -8.752 3.982 7.787 1.00 14.32 O ATOM 0 H TYR A 108 -8.650 9.351 4.857 1.00 24.05 H new ATOM 0 HA TYR A 108 -6.475 9.484 3.061 1.00 51.33 H new ATOM 0 HB2 TYR A 108 -5.344 7.982 4.587 1.00 74.14 H new ATOM 0 HB3 TYR A 108 -6.271 9.137 5.524 1.00 74.14 H new ATOM 0 HD1 TYR A 108 -8.626 8.292 6.423 1.00 2.03 H new ATOM 0 HD2 TYR A 108 -5.552 5.647 5.063 1.00 44.12 H new ATOM 0 HE1 TYR A 108 -9.644 6.446 7.685 1.00 41.20 H new ATOM 0 HE2 TYR A 108 -6.587 3.807 6.319 1.00 55.33 H new ATOM 0 HH TYR A 108 -8.226 3.165 7.657 1.00 14.32 H new ATOM 1716 N ASP A 109 -8.412 6.828 2.713 1.00 70.05 N ATOM 1717 CA ASP A 109 -8.729 5.667 1.846 1.00 31.13 C ATOM 1718 C ASP A 109 -8.752 6.065 0.348 1.00 74.32 C ATOM 1719 O ASP A 109 -8.089 5.434 -0.462 1.00 30.22 O ATOM 1720 CB ASP A 109 -10.072 5.020 2.278 1.00 52.55 C ATOM 1721 CG ASP A 109 -10.590 3.943 1.297 1.00 73.25 C ATOM 1722 OD1 ASP A 109 -9.935 2.887 1.150 1.00 65.24 O ATOM 1723 OD2 ASP A 109 -11.639 4.158 0.650 1.00 40.21 O ATOM 0 H ASP A 109 -9.129 7.029 3.410 1.00 70.05 H new ATOM 0 HA ASP A 109 -7.938 4.928 1.969 1.00 31.13 H new ATOM 0 HB2 ASP A 109 -9.948 4.571 3.263 1.00 52.55 H new ATOM 0 HB3 ASP A 109 -10.826 5.801 2.376 1.00 52.55 H new ATOM 1728 N ALA A 110 -9.490 7.135 0.014 1.00 72.31 N ATOM 1729 CA ALA A 110 -9.593 7.649 -1.376 1.00 54.15 C ATOM 1730 C ALA A 110 -8.212 8.033 -1.967 1.00 34.43 C ATOM 1731 O ALA A 110 -7.951 7.809 -3.160 1.00 63.14 O ATOM 1732 CB ALA A 110 -10.543 8.851 -1.413 1.00 2.21 C ATOM 0 H ALA A 110 -10.033 7.672 0.691 1.00 72.31 H new ATOM 0 HA ALA A 110 -9.991 6.846 -1.997 1.00 54.15 H new ATOM 0 HB1 ALA A 110 -10.616 9.226 -2.434 1.00 2.21 H new ATOM 0 HB2 ALA A 110 -11.530 8.545 -1.067 1.00 2.21 H new ATOM 0 HB3 ALA A 110 -10.159 9.638 -0.764 1.00 2.21 H new ATOM 1738 N ASP A 111 -7.334 8.583 -1.110 1.00 63.32 N ATOM 1739 CA ASP A 111 -5.969 9.002 -1.498 1.00 41.40 C ATOM 1740 C ASP A 111 -5.065 7.766 -1.794 1.00 52.31 C ATOM 1741 O ASP A 111 -4.288 7.765 -2.761 1.00 51.33 O ATOM 1742 CB ASP A 111 -5.352 9.891 -0.380 1.00 33.52 C ATOM 1743 CG ASP A 111 -4.079 10.617 -0.846 1.00 25.22 C ATOM 1744 OD1 ASP A 111 -4.206 11.605 -1.602 1.00 12.51 O ATOM 1745 OD2 ASP A 111 -2.948 10.194 -0.497 1.00 52.15 O ATOM 0 H ASP A 111 -7.548 8.751 -0.127 1.00 63.32 H new ATOM 0 HA ASP A 111 -6.031 9.587 -2.416 1.00 41.40 H new ATOM 0 HB2 ASP A 111 -6.089 10.626 -0.056 1.00 33.52 H new ATOM 0 HB3 ASP A 111 -5.118 9.271 0.486 1.00 33.52 H new ATOM 1750 N ILE A 112 -5.201 6.714 -0.959 1.00 74.15 N ATOM 1751 CA ILE A 112 -4.488 5.423 -1.143 1.00 75.04 C ATOM 1752 C ILE A 112 -4.967 4.709 -2.433 1.00 21.33 C ATOM 1753 O ILE A 112 -4.156 4.309 -3.273 1.00 21.43 O ATOM 1754 CB ILE A 112 -4.685 4.466 0.102 1.00 71.22 C ATOM 1755 CG1 ILE A 112 -4.158 5.129 1.418 1.00 1.41 C ATOM 1756 CG2 ILE A 112 -4.018 3.079 -0.119 1.00 54.32 C ATOM 1757 CD1 ILE A 112 -2.676 5.459 1.428 1.00 52.53 C ATOM 0 H ILE A 112 -5.806 6.731 -0.138 1.00 74.15 H new ATOM 0 HA ILE A 112 -3.426 5.652 -1.234 1.00 75.04 H new ATOM 0 HB ILE A 112 -5.757 4.302 0.208 1.00 71.22 H new ATOM 0 HG12 ILE A 112 -4.719 6.047 1.593 1.00 1.41 H new ATOM 0 HG13 ILE A 112 -4.371 4.461 2.253 1.00 1.41 H new ATOM 0 HG21 ILE A 112 -4.178 2.454 0.760 1.00 54.32 H new ATOM 0 HG22 ILE A 112 -4.460 2.598 -0.991 1.00 54.32 H new ATOM 0 HG23 ILE A 112 -2.948 3.211 -0.281 1.00 54.32 H new ATOM 0 HD11 ILE A 112 -2.411 5.914 2.382 1.00 52.53 H new ATOM 0 HD12 ILE A 112 -2.099 4.545 1.289 1.00 52.53 H new ATOM 0 HD13 ILE A 112 -2.453 6.155 0.620 1.00 52.53 H new ATOM 1769 N ASN A 113 -6.303 4.607 -2.592 1.00 12.14 N ATOM 1770 CA ASN A 113 -6.952 3.939 -3.745 1.00 42.11 C ATOM 1771 C ASN A 113 -6.589 4.640 -5.069 1.00 23.22 C ATOM 1772 O ASN A 113 -6.540 4.001 -6.114 1.00 23.52 O ATOM 1773 CB ASN A 113 -8.496 3.904 -3.586 1.00 24.44 C ATOM 1774 CG ASN A 113 -9.020 2.984 -2.472 1.00 11.21 C ATOM 1775 OD1 ASN A 113 -10.076 2.377 -2.605 1.00 54.40 O ATOM 1776 ND2 ASN A 113 -8.322 2.886 -1.359 1.00 71.53 N ATOM 0 H ASN A 113 -6.969 4.988 -1.920 1.00 12.14 H new ATOM 0 HA ASN A 113 -6.580 2.915 -3.770 1.00 42.11 H new ATOM 0 HB2 ASN A 113 -8.848 4.917 -3.394 1.00 24.44 H new ATOM 0 HB3 ASN A 113 -8.935 3.588 -4.532 1.00 24.44 H new ATOM 0 HD21 ASN A 113 -8.659 2.300 -0.596 1.00 71.53 H new ATOM 0 HD22 ASN A 113 -7.444 3.396 -1.261 1.00 71.53 H new ATOM 1783 N SER A 114 -6.351 5.968 -5.000 1.00 75.51 N ATOM 1784 CA SER A 114 -5.940 6.772 -6.172 1.00 35.11 C ATOM 1785 C SER A 114 -4.628 6.236 -6.798 1.00 51.51 C ATOM 1786 O SER A 114 -4.539 6.106 -8.015 1.00 23.25 O ATOM 1787 CB SER A 114 -5.782 8.261 -5.786 1.00 64.24 C ATOM 1788 OG SER A 114 -5.474 9.067 -6.917 1.00 31.30 O ATOM 0 H SER A 114 -6.437 6.509 -4.139 1.00 75.51 H new ATOM 0 HA SER A 114 -6.728 6.686 -6.920 1.00 35.11 H new ATOM 0 HB2 SER A 114 -6.703 8.617 -5.325 1.00 64.24 H new ATOM 0 HB3 SER A 114 -4.993 8.362 -5.041 1.00 64.24 H new ATOM 0 HG SER A 114 -5.383 10.002 -6.637 1.00 31.30 H new ATOM 1794 N TYR A 115 -3.626 5.911 -5.952 1.00 1.13 N ATOM 1795 CA TYR A 115 -2.334 5.335 -6.413 1.00 34.22 C ATOM 1796 C TYR A 115 -2.406 3.814 -6.709 1.00 54.42 C ATOM 1797 O TYR A 115 -1.832 3.349 -7.696 1.00 73.30 O ATOM 1798 CB TYR A 115 -1.203 5.626 -5.381 1.00 44.40 C ATOM 1799 CG TYR A 115 -0.504 6.982 -5.546 1.00 32.22 C ATOM 1800 CD1 TYR A 115 -0.499 7.659 -6.773 1.00 65.24 C ATOM 1801 CD2 TYR A 115 0.207 7.553 -4.490 1.00 4.22 C ATOM 1802 CE1 TYR A 115 0.179 8.846 -6.931 1.00 3.32 C ATOM 1803 CE2 TYR A 115 0.878 8.745 -4.648 1.00 35.54 C ATOM 1804 CZ TYR A 115 0.865 9.385 -5.869 1.00 53.41 C ATOM 1805 OH TYR A 115 1.541 10.571 -6.024 1.00 61.14 O ATOM 0 H TYR A 115 -3.683 6.037 -4.941 1.00 1.13 H new ATOM 0 HA TYR A 115 -2.105 5.827 -7.358 1.00 34.22 H new ATOM 0 HB2 TYR A 115 -1.625 5.572 -4.378 1.00 44.40 H new ATOM 0 HB3 TYR A 115 -0.454 4.837 -5.454 1.00 44.40 H new ATOM 0 HD1 TYR A 115 -1.038 7.241 -7.611 1.00 65.24 H new ATOM 0 HD2 TYR A 115 0.231 7.052 -3.533 1.00 4.22 H new ATOM 0 HE1 TYR A 115 0.172 9.352 -7.885 1.00 3.32 H new ATOM 0 HE2 TYR A 115 1.414 9.178 -3.816 1.00 35.54 H new ATOM 0 HH TYR A 115 1.919 10.847 -5.163 1.00 61.14 H new ATOM 1815 N ILE A 116 -3.122 3.062 -5.858 1.00 75.11 N ATOM 1816 CA ILE A 116 -3.208 1.582 -5.957 1.00 3.24 C ATOM 1817 C ILE A 116 -3.975 1.138 -7.243 1.00 24.23 C ATOM 1818 O ILE A 116 -3.580 0.194 -7.939 1.00 41.14 O ATOM 1819 CB ILE A 116 -3.889 0.989 -4.661 1.00 63.31 C ATOM 1820 CG1 ILE A 116 -3.041 1.297 -3.381 1.00 12.12 C ATOM 1821 CG2 ILE A 116 -4.141 -0.528 -4.787 1.00 4.54 C ATOM 1822 CD1 ILE A 116 -1.699 0.579 -3.299 1.00 33.32 C ATOM 0 H ILE A 116 -3.658 3.453 -5.083 1.00 75.11 H new ATOM 0 HA ILE A 116 -2.195 1.188 -6.032 1.00 3.24 H new ATOM 0 HB ILE A 116 -4.857 1.480 -4.560 1.00 63.31 H new ATOM 0 HG12 ILE A 116 -2.863 2.371 -3.333 1.00 12.12 H new ATOM 0 HG13 ILE A 116 -3.630 1.032 -2.503 1.00 12.12 H new ATOM 0 HG21 ILE A 116 -4.610 -0.896 -3.875 1.00 4.54 H new ATOM 0 HG22 ILE A 116 -4.798 -0.718 -5.635 1.00 4.54 H new ATOM 0 HG23 ILE A 116 -3.193 -1.043 -4.940 1.00 4.54 H new ATOM 0 HD11 ILE A 116 -1.192 0.861 -2.376 1.00 33.32 H new ATOM 0 HD12 ILE A 116 -1.862 -0.499 -3.309 1.00 33.32 H new ATOM 0 HD13 ILE A 116 -1.083 0.861 -4.153 1.00 33.32 H new ATOM 1834 N ASP A 117 -5.055 1.856 -7.545 1.00 43.00 N ATOM 1835 CA ASP A 117 -5.904 1.618 -8.739 1.00 10.24 C ATOM 1836 C ASP A 117 -5.370 2.394 -9.992 1.00 31.15 C ATOM 1837 O ASP A 117 -5.946 2.309 -11.083 1.00 32.01 O ATOM 1838 CB ASP A 117 -7.367 2.004 -8.374 1.00 3.51 C ATOM 1839 CG ASP A 117 -8.413 1.701 -9.460 1.00 44.13 C ATOM 1840 OD1 ASP A 117 -8.688 0.507 -9.714 1.00 40.12 O ATOM 1841 OD2 ASP A 117 -8.960 2.652 -10.066 1.00 13.04 O ATOM 0 H ASP A 117 -5.380 2.632 -6.968 1.00 43.00 H new ATOM 0 HA ASP A 117 -5.872 0.565 -9.018 1.00 10.24 H new ATOM 0 HB2 ASP A 117 -7.649 1.476 -7.463 1.00 3.51 H new ATOM 0 HB3 ASP A 117 -7.399 3.070 -8.148 1.00 3.51 H new ATOM 1846 N SER A 118 -4.238 3.119 -9.835 1.00 74.43 N ATOM 1847 CA SER A 118 -3.601 3.898 -10.936 1.00 64.33 C ATOM 1848 C SER A 118 -2.706 2.992 -11.807 1.00 43.41 C ATOM 1849 O SER A 118 -2.264 1.944 -11.352 1.00 13.22 O ATOM 1850 CB SER A 118 -2.755 5.050 -10.353 1.00 73.14 C ATOM 1851 OG SER A 118 -2.149 5.834 -11.368 1.00 33.21 O ATOM 0 H SER A 118 -3.738 3.184 -8.948 1.00 74.43 H new ATOM 0 HA SER A 118 -4.395 4.309 -11.560 1.00 64.33 H new ATOM 0 HB2 SER A 118 -3.387 5.686 -9.733 1.00 73.14 H new ATOM 0 HB3 SER A 118 -1.982 4.639 -9.703 1.00 73.14 H new ATOM 0 HG SER A 118 -1.368 6.297 -11.001 1.00 33.21 H new ATOM 1857 N ALA A 119 -2.429 3.429 -13.054 1.00 31.43 N ATOM 1858 CA ALA A 119 -1.622 2.662 -14.041 1.00 54.15 C ATOM 1859 C ALA A 119 -0.198 2.335 -13.524 1.00 52.42 C ATOM 1860 O ALA A 119 0.308 1.230 -13.726 1.00 64.41 O ATOM 1861 CB ALA A 119 -1.538 3.434 -15.370 1.00 64.42 C ATOM 0 H ALA A 119 -2.758 4.326 -13.411 1.00 31.43 H new ATOM 0 HA ALA A 119 -2.131 1.711 -14.199 1.00 54.15 H new ATOM 0 HB1 ALA A 119 -0.945 2.864 -16.085 1.00 64.42 H new ATOM 0 HB2 ALA A 119 -2.542 3.583 -15.768 1.00 64.42 H new ATOM 0 HB3 ALA A 119 -1.068 4.402 -15.199 1.00 64.42 H new ATOM 1867 N GLU A 120 0.425 3.314 -12.851 1.00 72.23 N ATOM 1868 CA GLU A 120 1.784 3.178 -12.274 1.00 50.12 C ATOM 1869 C GLU A 120 1.913 1.974 -11.305 1.00 14.24 C ATOM 1870 O GLU A 120 2.912 1.246 -11.334 1.00 41.42 O ATOM 1871 CB GLU A 120 2.173 4.521 -11.588 1.00 3.14 C ATOM 1872 CG GLU A 120 1.182 5.020 -10.501 1.00 65.22 C ATOM 1873 CD GLU A 120 1.292 6.528 -10.204 1.00 55.21 C ATOM 1874 OE1 GLU A 120 2.424 7.034 -10.058 1.00 4.43 O ATOM 1875 OE2 GLU A 120 0.247 7.210 -10.122 1.00 53.20 O ATOM 0 H GLU A 120 0.004 4.229 -12.687 1.00 72.23 H new ATOM 0 HA GLU A 120 2.483 2.965 -13.083 1.00 50.12 H new ATOM 0 HB2 GLU A 120 3.158 4.407 -11.134 1.00 3.14 H new ATOM 0 HB3 GLU A 120 2.263 5.290 -12.355 1.00 3.14 H new ATOM 0 HG2 GLU A 120 0.164 4.795 -10.820 1.00 65.22 H new ATOM 0 HG3 GLU A 120 1.357 4.464 -9.580 1.00 65.22 H new ATOM 1882 N TYR A 121 0.917 1.783 -10.430 1.00 20.45 N ATOM 1883 CA TYR A 121 0.859 0.599 -9.551 1.00 62.41 C ATOM 1884 C TYR A 121 0.305 -0.669 -10.280 1.00 1.01 C ATOM 1885 O TYR A 121 0.960 -1.703 -10.325 1.00 51.53 O ATOM 1886 CB TYR A 121 0.026 0.924 -8.294 1.00 42.01 C ATOM 1887 CG TYR A 121 0.092 -0.164 -7.222 1.00 65.31 C ATOM 1888 CD1 TYR A 121 1.143 -0.211 -6.309 1.00 64.01 C ATOM 1889 CD2 TYR A 121 -0.869 -1.166 -7.157 1.00 5.31 C ATOM 1890 CE1 TYR A 121 1.218 -1.215 -5.371 1.00 13.42 C ATOM 1891 CE2 TYR A 121 -0.797 -2.158 -6.218 1.00 20.44 C ATOM 1892 CZ TYR A 121 0.243 -2.185 -5.337 1.00 52.41 C ATOM 1893 OH TYR A 121 0.317 -3.199 -4.426 1.00 13.31 O ATOM 0 H TYR A 121 0.139 2.431 -10.309 1.00 20.45 H new ATOM 0 HA TYR A 121 1.880 0.357 -9.256 1.00 62.41 H new ATOM 0 HB2 TYR A 121 0.376 1.864 -7.868 1.00 42.01 H new ATOM 0 HB3 TYR A 121 -1.014 1.074 -8.585 1.00 42.01 H new ATOM 0 HD1 TYR A 121 1.909 0.550 -6.338 1.00 64.01 H new ATOM 0 HD2 TYR A 121 -1.688 -1.161 -7.861 1.00 5.31 H new ATOM 0 HE1 TYR A 121 2.036 -1.241 -4.667 1.00 13.42 H new ATOM 0 HE2 TYR A 121 -1.563 -2.918 -6.175 1.00 20.44 H new ATOM 0 HH TYR A 121 0.198 -4.058 -4.882 1.00 13.31 H new ATOM 1903 N THR A 122 -0.899 -0.556 -10.857 1.00 13.20 N ATOM 1904 CA THR A 122 -1.642 -1.716 -11.433 1.00 21.05 C ATOM 1905 C THR A 122 -0.924 -2.340 -12.651 1.00 32.44 C ATOM 1906 O THR A 122 -0.752 -3.559 -12.726 1.00 50.22 O ATOM 1907 CB THR A 122 -3.111 -1.314 -11.836 1.00 34.24 C ATOM 1908 OG1 THR A 122 -3.888 -0.990 -10.664 1.00 41.30 O ATOM 1909 CG2 THR A 122 -3.836 -2.411 -12.649 1.00 41.35 C ATOM 0 H THR A 122 -1.394 0.331 -10.944 1.00 13.20 H new ATOM 0 HA THR A 122 -1.678 -2.468 -10.645 1.00 21.05 H new ATOM 0 HB THR A 122 -3.022 -0.438 -12.478 1.00 34.24 H new ATOM 0 HG1 THR A 122 -3.304 -0.593 -9.984 1.00 41.30 H new ATOM 0 HG21 THR A 122 -4.843 -2.075 -12.896 1.00 41.35 H new ATOM 0 HG22 THR A 122 -3.283 -2.608 -13.568 1.00 41.35 H new ATOM 0 HG23 THR A 122 -3.894 -3.324 -12.057 1.00 41.35 H new ATOM 1917 N GLU A 123 -0.565 -1.505 -13.627 1.00 52.11 N ATOM 1918 CA GLU A 123 0.151 -1.960 -14.831 1.00 13.14 C ATOM 1919 C GLU A 123 1.657 -2.207 -14.537 1.00 24.32 C ATOM 1920 O GLU A 123 2.152 -3.328 -14.704 1.00 23.45 O ATOM 1921 CB GLU A 123 -0.022 -0.935 -15.984 1.00 33.30 C ATOM 1922 CG GLU A 123 0.648 -1.352 -17.307 1.00 23.33 C ATOM 1923 CD GLU A 123 0.644 -0.238 -18.370 1.00 64.21 C ATOM 1924 OE1 GLU A 123 1.452 0.713 -18.245 1.00 11.34 O ATOM 1925 OE2 GLU A 123 -0.180 -0.291 -19.314 1.00 51.12 O ATOM 0 H GLU A 123 -0.757 -0.503 -13.611 1.00 52.11 H new ATOM 0 HA GLU A 123 -0.285 -2.910 -15.140 1.00 13.14 H new ATOM 0 HB2 GLU A 123 -1.086 -0.781 -16.162 1.00 33.30 H new ATOM 0 HB3 GLU A 123 0.390 0.023 -15.668 1.00 33.30 H new ATOM 0 HG2 GLU A 123 1.677 -1.650 -17.107 1.00 23.33 H new ATOM 0 HG3 GLU A 123 0.135 -2.227 -17.706 1.00 23.33 H new ATOM 1932 N SER A 124 2.375 -1.162 -14.069 1.00 74.11 N ATOM 1933 CA SER A 124 3.866 -1.190 -13.983 1.00 43.21 C ATOM 1934 C SER A 124 4.404 -2.019 -12.778 1.00 14.13 C ATOM 1935 O SER A 124 5.449 -2.665 -12.897 1.00 72.21 O ATOM 1936 CB SER A 124 4.420 0.251 -13.944 1.00 42.01 C ATOM 1937 OG SER A 124 5.839 0.272 -13.873 1.00 4.23 O ATOM 0 H SER A 124 1.956 -0.290 -13.745 1.00 74.11 H new ATOM 0 HA SER A 124 4.222 -1.698 -14.879 1.00 43.21 H new ATOM 0 HB2 SER A 124 4.093 0.790 -14.833 1.00 42.01 H new ATOM 0 HB3 SER A 124 4.006 0.776 -13.083 1.00 42.01 H new ATOM 0 HG SER A 124 6.152 1.201 -13.852 1.00 4.23 H new ATOM 1943 N PHE A 125 3.692 -2.016 -11.625 1.00 41.25 N ATOM 1944 CA PHE A 125 4.014 -2.939 -10.487 1.00 53.42 C ATOM 1945 C PHE A 125 3.241 -4.266 -10.583 1.00 54.51 C ATOM 1946 O PHE A 125 3.498 -5.159 -9.787 1.00 12.44 O ATOM 1947 CB PHE A 125 3.729 -2.290 -9.096 1.00 74.11 C ATOM 1948 CG PHE A 125 4.819 -1.365 -8.595 1.00 64.10 C ATOM 1949 CD1 PHE A 125 6.049 -1.891 -8.200 1.00 31.01 C ATOM 1950 CD2 PHE A 125 4.618 0.004 -8.495 1.00 31.04 C ATOM 1951 CE1 PHE A 125 7.044 -1.072 -7.720 1.00 70.21 C ATOM 1952 CE2 PHE A 125 5.618 0.819 -8.018 1.00 71.44 C ATOM 1953 CZ PHE A 125 6.827 0.282 -7.628 1.00 64.31 C ATOM 0 H PHE A 125 2.900 -1.397 -11.450 1.00 41.25 H new ATOM 0 HA PHE A 125 5.082 -3.139 -10.570 1.00 53.42 H new ATOM 0 HB2 PHE A 125 2.795 -1.731 -9.155 1.00 74.11 H new ATOM 0 HB3 PHE A 125 3.579 -3.083 -8.364 1.00 74.11 H new ATOM 0 HD1 PHE A 125 6.222 -2.955 -8.272 1.00 31.01 H new ATOM 0 HD2 PHE A 125 3.672 0.432 -8.793 1.00 31.04 H new ATOM 0 HE1 PHE A 125 7.992 -1.491 -7.417 1.00 70.21 H new ATOM 0 HE2 PHE A 125 5.456 1.884 -7.949 1.00 71.44 H new ATOM 0 HZ PHE A 125 7.606 0.927 -7.249 1.00 64.31 H new ATOM 1963 N GLY A 126 2.313 -4.375 -11.551 1.00 25.44 N ATOM 1964 CA GLY A 126 1.441 -5.550 -11.676 1.00 12.23 C ATOM 1965 C GLY A 126 0.365 -5.651 -10.578 1.00 55.11 C ATOM 1966 O GLY A 126 0.638 -5.426 -9.397 1.00 3.22 O ATOM 0 H GLY A 126 2.150 -3.659 -12.259 1.00 25.44 H new ATOM 0 HA2 GLY A 126 0.951 -5.524 -12.649 1.00 12.23 H new ATOM 0 HA3 GLY A 126 2.055 -6.450 -11.652 1.00 12.23 H new ATOM 1970 N ASP A 127 -0.867 -6.002 -10.979 1.00 1.24 N ATOM 1971 CA ASP A 127 -2.014 -6.145 -10.052 1.00 70.44 C ATOM 1972 C ASP A 127 -1.969 -7.490 -9.263 1.00 71.23 C ATOM 1973 O ASP A 127 -2.567 -7.617 -8.188 1.00 11.51 O ATOM 1974 CB ASP A 127 -3.336 -5.987 -10.847 1.00 30.00 C ATOM 1975 CG ASP A 127 -3.526 -7.058 -11.932 1.00 42.21 C ATOM 1976 OD1 ASP A 127 -2.819 -7.002 -12.961 1.00 13.33 O ATOM 1977 OD2 ASP A 127 -4.357 -7.976 -11.745 1.00 50.45 O ATOM 0 H ASP A 127 -1.102 -6.196 -11.953 1.00 1.24 H new ATOM 0 HA ASP A 127 -1.955 -5.357 -9.301 1.00 70.44 H new ATOM 0 HB2 ASP A 127 -4.176 -6.030 -10.154 1.00 30.00 H new ATOM 0 HB3 ASP A 127 -3.356 -5.001 -11.312 1.00 30.00 H new ATOM 1982 N ASN A 128 -1.282 -8.504 -9.830 1.00 54.34 N ATOM 1983 CA ASN A 128 -0.978 -9.790 -9.131 1.00 5.40 C ATOM 1984 C ASN A 128 0.476 -9.832 -8.598 1.00 23.41 C ATOM 1985 O ASN A 128 0.872 -10.788 -7.931 1.00 31.32 O ATOM 1986 CB ASN A 128 -1.239 -11.010 -10.064 1.00 13.21 C ATOM 1987 CG ASN A 128 -2.725 -11.353 -10.259 1.00 43.51 C ATOM 1988 OD1 ASN A 128 -3.082 -12.515 -10.405 1.00 70.32 O ATOM 1989 ND2 ASN A 128 -3.605 -10.366 -10.291 1.00 64.23 N ATOM 0 H ASN A 128 -0.919 -8.464 -10.782 1.00 54.34 H new ATOM 0 HA ASN A 128 -1.650 -9.849 -8.275 1.00 5.40 H new ATOM 0 HB2 ASN A 128 -0.794 -10.809 -11.038 1.00 13.21 H new ATOM 0 HB3 ASN A 128 -0.728 -11.881 -9.654 1.00 13.21 H new ATOM 0 HD21 ASN A 128 -4.594 -10.569 -10.439 1.00 64.23 H new ATOM 0 HD22 ASN A 128 -3.295 -9.402 -10.168 1.00 64.23 H new ATOM 1996 N VAL A 129 1.249 -8.778 -8.885 1.00 1.32 N ATOM 1997 CA VAL A 129 2.672 -8.675 -8.493 1.00 55.02 C ATOM 1998 C VAL A 129 2.825 -7.713 -7.281 1.00 24.41 C ATOM 1999 O VAL A 129 2.122 -6.703 -7.187 1.00 3.31 O ATOM 2000 CB VAL A 129 3.575 -8.201 -9.693 1.00 64.02 C ATOM 2001 CG1 VAL A 129 5.082 -8.239 -9.331 1.00 54.13 C ATOM 2002 CG2 VAL A 129 3.283 -9.009 -10.984 1.00 22.42 C ATOM 0 H VAL A 129 0.909 -7.965 -9.398 1.00 1.32 H new ATOM 0 HA VAL A 129 3.011 -9.670 -8.203 1.00 55.02 H new ATOM 0 HB VAL A 129 3.317 -7.161 -9.893 1.00 64.02 H new ATOM 0 HG11 VAL A 129 5.670 -7.905 -10.186 1.00 54.13 H new ATOM 0 HG12 VAL A 129 5.269 -7.581 -8.482 1.00 54.13 H new ATOM 0 HG13 VAL A 129 5.368 -9.258 -9.070 1.00 54.13 H new ATOM 0 HG21 VAL A 129 3.925 -8.653 -11.789 1.00 22.42 H new ATOM 0 HG22 VAL A 129 3.479 -10.066 -10.804 1.00 22.42 H new ATOM 0 HG23 VAL A 129 2.239 -8.877 -11.268 1.00 22.42 H new ATOM 2012 N VAL A 130 3.727 -8.066 -6.349 1.00 21.34 N ATOM 2013 CA VAL A 130 3.987 -7.294 -5.107 1.00 35.13 C ATOM 2014 C VAL A 130 4.887 -6.053 -5.403 1.00 13.41 C ATOM 2015 O VAL A 130 5.889 -6.180 -6.124 1.00 22.13 O ATOM 2016 CB VAL A 130 4.693 -8.214 -4.022 1.00 51.21 C ATOM 2017 CG1 VAL A 130 4.989 -7.453 -2.700 1.00 31.45 C ATOM 2018 CG2 VAL A 130 3.851 -9.484 -3.748 1.00 55.44 C ATOM 0 H VAL A 130 4.305 -8.902 -6.431 1.00 21.34 H new ATOM 0 HA VAL A 130 3.029 -6.949 -4.719 1.00 35.13 H new ATOM 0 HB VAL A 130 5.655 -8.514 -4.437 1.00 51.21 H new ATOM 0 HG11 VAL A 130 5.472 -8.127 -1.992 1.00 31.45 H new ATOM 0 HG12 VAL A 130 5.648 -6.610 -2.905 1.00 31.45 H new ATOM 0 HG13 VAL A 130 4.055 -7.088 -2.274 1.00 31.45 H new ATOM 0 HG21 VAL A 130 4.353 -10.100 -3.002 1.00 55.44 H new ATOM 0 HG22 VAL A 130 2.867 -9.195 -3.378 1.00 55.44 H new ATOM 0 HG23 VAL A 130 3.739 -10.052 -4.671 1.00 55.44 H new ATOM 2028 N PRO A 131 4.542 -4.833 -4.852 1.00 54.41 N ATOM 2029 CA PRO A 131 5.388 -3.619 -4.989 1.00 22.44 C ATOM 2030 C PRO A 131 6.746 -3.749 -4.255 1.00 14.12 C ATOM 2031 O PRO A 131 6.843 -4.366 -3.186 1.00 13.43 O ATOM 2032 CB PRO A 131 4.518 -2.496 -4.362 1.00 34.43 C ATOM 2033 CG PRO A 131 3.635 -3.224 -3.395 1.00 1.43 C ATOM 2034 CD PRO A 131 3.309 -4.538 -4.069 1.00 34.43 C ATOM 0 HA PRO A 131 5.659 -3.429 -6.028 1.00 22.44 H new ATOM 0 HB2 PRO A 131 5.132 -1.749 -3.859 1.00 34.43 H new ATOM 0 HB3 PRO A 131 3.935 -1.972 -5.119 1.00 34.43 H new ATOM 0 HG2 PRO A 131 4.141 -3.384 -2.443 1.00 1.43 H new ATOM 0 HG3 PRO A 131 2.730 -2.655 -3.183 1.00 1.43 H new ATOM 0 HD2 PRO A 131 3.096 -5.322 -3.342 1.00 34.43 H new ATOM 0 HD3 PRO A 131 2.433 -4.454 -4.713 1.00 34.43 H new ATOM 2042 N TYR A 132 7.789 -3.183 -4.867 1.00 32.54 N ATOM 2043 CA TYR A 132 9.151 -3.145 -4.311 1.00 52.02 C ATOM 2044 C TYR A 132 9.805 -1.785 -4.611 1.00 61.35 C ATOM 2045 O TYR A 132 9.546 -1.171 -5.656 1.00 43.15 O ATOM 2046 CB TYR A 132 10.008 -4.320 -4.869 1.00 43.20 C ATOM 2047 CG TYR A 132 10.072 -4.393 -6.406 1.00 34.12 C ATOM 2048 CD1 TYR A 132 8.968 -4.831 -7.142 1.00 44.15 C ATOM 2049 CD2 TYR A 132 11.216 -4.015 -7.117 1.00 20.20 C ATOM 2050 CE1 TYR A 132 9.001 -4.893 -8.512 1.00 65.55 C ATOM 2051 CE2 TYR A 132 11.250 -4.081 -8.496 1.00 5.22 C ATOM 2052 CZ TYR A 132 10.138 -4.520 -9.185 1.00 1.33 C ATOM 2053 OH TYR A 132 10.163 -4.599 -10.562 1.00 21.02 O ATOM 0 H TYR A 132 7.714 -2.730 -5.778 1.00 32.54 H new ATOM 0 HA TYR A 132 9.093 -3.266 -3.229 1.00 52.02 H new ATOM 0 HB2 TYR A 132 11.022 -4.229 -4.480 1.00 43.20 H new ATOM 0 HB3 TYR A 132 9.604 -5.259 -4.490 1.00 43.20 H new ATOM 0 HD1 TYR A 132 8.069 -5.127 -6.621 1.00 44.15 H new ATOM 0 HD2 TYR A 132 12.085 -3.666 -6.579 1.00 20.20 H new ATOM 0 HE1 TYR A 132 8.135 -5.234 -9.060 1.00 65.55 H new ATOM 0 HE2 TYR A 132 12.142 -3.791 -9.032 1.00 5.22 H new ATOM 0 HH TYR A 132 11.036 -4.299 -10.891 1.00 21.02 H new ATOM 2063 N PHE A 133 10.660 -1.326 -3.693 1.00 54.54 N ATOM 2064 CA PHE A 133 11.442 -0.093 -3.878 1.00 3.24 C ATOM 2065 C PHE A 133 12.659 -0.387 -4.785 1.00 22.43 C ATOM 2066 O PHE A 133 13.353 -1.375 -4.572 1.00 54.04 O ATOM 2067 CB PHE A 133 11.891 0.449 -2.496 1.00 50.32 C ATOM 2068 CG PHE A 133 12.685 1.752 -2.573 1.00 43.24 C ATOM 2069 CD1 PHE A 133 12.035 2.965 -2.804 1.00 41.25 C ATOM 2070 CD2 PHE A 133 14.076 1.764 -2.450 1.00 21.25 C ATOM 2071 CE1 PHE A 133 12.748 4.139 -2.900 1.00 64.03 C ATOM 2072 CE2 PHE A 133 14.784 2.941 -2.553 1.00 13.02 C ATOM 2073 CZ PHE A 133 14.122 4.125 -2.777 1.00 50.41 C ATOM 0 H PHE A 133 10.832 -1.794 -2.803 1.00 54.54 H new ATOM 0 HA PHE A 133 10.830 0.669 -4.361 1.00 3.24 H new ATOM 0 HB2 PHE A 133 11.010 0.608 -1.875 1.00 50.32 H new ATOM 0 HB3 PHE A 133 12.499 -0.307 -2.000 1.00 50.32 H new ATOM 0 HD1 PHE A 133 10.960 2.983 -2.909 1.00 41.25 H new ATOM 0 HD2 PHE A 133 14.603 0.839 -2.272 1.00 21.25 H new ATOM 0 HE1 PHE A 133 12.231 5.072 -3.072 1.00 64.03 H new ATOM 0 HE2 PHE A 133 15.860 2.934 -2.458 1.00 13.02 H new ATOM 0 HZ PHE A 133 14.679 5.047 -2.857 1.00 50.41 H new