USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1286 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 51 TYR OH : rot 165:sc= -0.446 USER MOD Set 1.2: A 176 THR OG1 : rot 47:sc= 0.274 USER MOD Set 2.1: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 161 SER OG : rot 170:sc= 0 USER MOD Set 3.1: A 70 THR OG1 : rot 180:sc= 0.0253 USER MOD Set 3.2: A 100 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0.025) USER MOD Set 4.1: A 60 HIS :FLIP no HE2:sc= 0.54 F(o=-2.9,f=-0.91) USER MOD Set 4.2: A 80 HIS : no HD1:sc= -0.406! K(o=-0.91!,f=-6.9) USER MOD Set 4.3: A 83 THR OG1 : rot 93:sc= 0.84 USER MOD Set 4.4: A 96 HIS : no HE2:sc= -1.88! C(o=-0.91!,f=-8.8!) USER MOD Set 5.1: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 19 LYS NZ :NH3+ -144:sc= 1.71 (180deg=0.761) USER MOD Set 6.2: A 150 TYR OH : rot 180:sc= 0.0664 USER MOD Single : A 5 THR OG1 : rot 25:sc= 0.211 USER MOD Single : A 10 THR OG1 : rot 83:sc= 1.3 USER MOD Single : A 11 GLN :FLIP amide:sc= -0.513 F(o=-3.2!,f=-0.51) USER MOD Single : A 13 GLN :FLIP amide:sc=-7.61e-05 F(o=-0.79,f=-7.6e-05) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.134 F(o=-1.2,f=-0.13) USER MOD Single : A 24 SER OG : rot 83:sc= 0.646 USER MOD Single : A 26 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-2.6!) USER MOD Single : A 28 GLN : amide:sc= -0.0932 X(o=-0.093,f=-0.55) USER MOD Single : A 29 SER OG : rot 42:sc= 0.707 USER MOD Single : A 43 SER OG : rot 180:sc= 0.662 USER MOD Single : A 44 TYR OH : rot 151:sc= 0.939 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 49:sc= 0.31 USER MOD Single : A 65 SER OG : rot 40:sc= 0.154 USER MOD Single : A 71 SER OG : rot -105:sc= 0.0613 USER MOD Single : A 78 TYR OH : rot 41:sc= 0.381 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -44:sc= 0.21 USER MOD Single : A 107 THR OG1 : rot -48:sc= 0.396 USER MOD Single : A 115 LYS NZ :NH3+ -167:sc= 0.387 (180deg=0.324) USER MOD Single : A 116 THR OG1 : rot 51:sc= 0.225 USER MOD Single : A 117 THR OG1 : rot 73:sc= 0.674 USER MOD Single : A 119 GLN : amide:sc= 0.136 X(o=0.14,f=-0.044) USER MOD Single : A 120 GLN : amide:sc= -1.04 X(o=-1,f=-0.67) USER MOD Single : A 121 SER OG : rot -150:sc= -0.498 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 TYR OH : rot -105:sc= 0.0495 USER MOD Single : A 128 MET CE :methyl -112:sc= -1.19 (180deg=-1.5) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 147 ASN : amide:sc= -2.41 K(o=-2.4,f=-6.1!) USER MOD Single : A 151 SER OG : rot 33:sc= 0.176 USER MOD Single : A 154 CYS SG : rot -24:sc= -2.04 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 SER OG : rot 45:sc= 0.244 USER MOD Single : A 159 THR OG1 : rot -34:sc= 0.339 USER MOD Single : A 162 CYS SG : rot 180:sc= 0.0402 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 169 ASN : amide:sc= -2.09 K(o=-2.1,f=-7.8!) USER MOD Single : A 173 THR OG1 : rot 121:sc= 0.159 USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 5 -13.221 0.746 -15.535 1.00 13.31 N ATOM 60 CA THR A 5 -12.694 -0.567 -15.110 1.00 22.45 C ATOM 61 C THR A 5 -11.708 -1.188 -16.130 1.00 35.52 C ATOM 62 O THR A 5 -10.694 -1.770 -15.725 1.00 2.52 O ATOM 63 CB THR A 5 -13.881 -1.538 -14.825 1.00 2.01 C ATOM 64 OG1 THR A 5 -14.825 -0.897 -13.948 1.00 53.13 O ATOM 65 CG2 THR A 5 -13.421 -2.863 -14.188 1.00 22.42 C ATOM 0 HA THR A 5 -12.119 -0.406 -14.198 1.00 22.45 H new ATOM 0 HB THR A 5 -14.342 -1.775 -15.784 1.00 2.01 H new ATOM 0 HG1 THR A 5 -14.744 0.076 -14.035 1.00 53.13 H new ATOM 0 HG21 THR A 5 -14.287 -3.501 -14.011 1.00 22.42 H new ATOM 0 HG22 THR A 5 -12.729 -3.369 -14.861 1.00 22.42 H new ATOM 0 HG23 THR A 5 -12.922 -2.657 -13.241 1.00 22.42 H new ATOM 73 N GLU A 6 -12.016 -1.063 -17.441 1.00 25.35 N ATOM 74 CA GLU A 6 -11.105 -1.487 -18.529 1.00 24.03 C ATOM 75 C GLU A 6 -9.740 -0.769 -18.407 1.00 23.31 C ATOM 76 O GLU A 6 -8.705 -1.338 -18.709 1.00 65.24 O ATOM 77 CB GLU A 6 -11.721 -1.220 -19.939 1.00 21.22 C ATOM 78 CG GLU A 6 -11.700 0.260 -20.388 1.00 3.24 C ATOM 79 CD GLU A 6 -12.333 0.496 -21.760 1.00 3.54 C ATOM 80 OE1 GLU A 6 -13.571 0.394 -21.877 1.00 3.04 O ATOM 81 OE2 GLU A 6 -11.600 0.773 -22.728 1.00 60.32 O ATOM 0 H GLU A 6 -12.896 -0.668 -17.773 1.00 25.35 H new ATOM 0 HA GLU A 6 -10.957 -2.562 -18.425 1.00 24.03 H new ATOM 0 HB2 GLU A 6 -11.180 -1.816 -20.675 1.00 21.22 H new ATOM 0 HB3 GLU A 6 -12.753 -1.571 -19.941 1.00 21.22 H new ATOM 0 HG2 GLU A 6 -12.225 0.863 -19.647 1.00 3.24 H new ATOM 0 HG3 GLU A 6 -10.668 0.609 -20.409 1.00 3.24 H new ATOM 88 N ASP A 7 -9.782 0.481 -17.920 1.00 62.42 N ATOM 89 CA ASP A 7 -8.600 1.325 -17.733 1.00 73.21 C ATOM 90 C ASP A 7 -7.896 0.959 -16.416 1.00 62.34 C ATOM 91 O ASP A 7 -6.669 0.995 -16.328 1.00 31.31 O ATOM 92 CB ASP A 7 -9.034 2.808 -17.747 1.00 23.23 C ATOM 93 CG ASP A 7 -7.856 3.784 -17.619 1.00 33.11 C ATOM 94 OD1 ASP A 7 -7.179 4.040 -18.633 1.00 71.15 O ATOM 95 OD2 ASP A 7 -7.598 4.297 -16.511 1.00 22.44 O ATOM 0 H ASP A 7 -10.651 0.936 -17.642 1.00 62.42 H new ATOM 0 HA ASP A 7 -7.890 1.161 -18.544 1.00 73.21 H new ATOM 0 HB2 ASP A 7 -9.569 3.014 -18.674 1.00 23.23 H new ATOM 0 HB3 ASP A 7 -9.733 2.983 -16.929 1.00 23.23 H new ATOM 100 N TRP A 8 -8.706 0.608 -15.398 1.00 63.05 N ATOM 101 CA TRP A 8 -8.222 0.123 -14.092 1.00 3.55 C ATOM 102 C TRP A 8 -7.399 -1.171 -14.254 1.00 23.20 C ATOM 103 O TRP A 8 -6.422 -1.369 -13.532 1.00 11.34 O ATOM 104 CB TRP A 8 -9.422 -0.074 -13.121 1.00 0.32 C ATOM 105 CG TRP A 8 -9.050 -0.515 -11.716 1.00 51.22 C ATOM 106 CD1 TRP A 8 -8.340 0.199 -10.782 1.00 73.30 C ATOM 107 CD2 TRP A 8 -9.385 -1.765 -11.087 1.00 10.01 C ATOM 108 NE1 TRP A 8 -8.216 -0.530 -9.627 1.00 25.15 N ATOM 109 CE2 TRP A 8 -8.845 -1.735 -9.785 1.00 43.30 C ATOM 110 CE3 TRP A 8 -10.085 -2.907 -11.502 1.00 54.30 C ATOM 111 CZ2 TRP A 8 -8.986 -2.798 -8.898 1.00 13.11 C ATOM 112 CZ3 TRP A 8 -10.227 -3.959 -10.616 1.00 21.54 C ATOM 113 CH2 TRP A 8 -9.681 -3.896 -9.328 1.00 43.54 C ATOM 0 H TRP A 8 -9.723 0.654 -15.460 1.00 63.05 H new ATOM 0 HA TRP A 8 -7.557 0.872 -13.661 1.00 3.55 H new ATOM 0 HB2 TRP A 8 -9.974 0.863 -13.056 1.00 0.32 H new ATOM 0 HB3 TRP A 8 -10.098 -0.813 -13.550 1.00 0.32 H new ATOM 0 HD1 TRP A 8 -7.938 1.190 -10.935 1.00 73.30 H new ATOM 0 HE1 TRP A 8 -7.732 -0.223 -8.784 1.00 25.15 H new ATOM 0 HE3 TRP A 8 -10.505 -2.964 -12.495 1.00 54.30 H new ATOM 0 HZ2 TRP A 8 -8.562 -2.758 -7.905 1.00 13.11 H new ATOM 0 HZ3 TRP A 8 -10.767 -4.843 -10.922 1.00 21.54 H new ATOM 0 HH2 TRP A 8 -9.811 -4.733 -8.658 1.00 43.54 H new ATOM 124 N GLU A 9 -7.783 -2.027 -15.226 1.00 62.41 N ATOM 125 CA GLU A 9 -7.047 -3.275 -15.525 1.00 43.52 C ATOM 126 C GLU A 9 -5.904 -3.024 -16.544 1.00 34.41 C ATOM 127 O GLU A 9 -4.943 -3.804 -16.595 1.00 74.41 O ATOM 128 CB GLU A 9 -8.018 -4.390 -16.006 1.00 54.43 C ATOM 129 CG GLU A 9 -8.635 -4.160 -17.395 1.00 15.05 C ATOM 130 CD GLU A 9 -9.735 -5.168 -17.754 1.00 20.34 C ATOM 131 OE1 GLU A 9 -10.896 -4.959 -17.356 1.00 23.41 O ATOM 132 OE2 GLU A 9 -9.446 -6.173 -18.429 1.00 72.10 O ATOM 0 H GLU A 9 -8.600 -1.876 -15.818 1.00 62.41 H new ATOM 0 HA GLU A 9 -6.582 -3.623 -14.603 1.00 43.52 H new ATOM 0 HB2 GLU A 9 -7.481 -5.339 -16.016 1.00 54.43 H new ATOM 0 HB3 GLU A 9 -8.824 -4.487 -15.279 1.00 54.43 H new ATOM 0 HG2 GLU A 9 -9.049 -3.153 -17.437 1.00 15.05 H new ATOM 0 HG3 GLU A 9 -7.847 -4.212 -18.146 1.00 15.05 H new ATOM 139 N THR A 10 -6.003 -1.921 -17.333 1.00 22.22 N ATOM 140 CA THR A 10 -4.918 -1.490 -18.247 1.00 13.31 C ATOM 141 C THR A 10 -3.692 -1.019 -17.439 1.00 13.41 C ATOM 142 O THR A 10 -2.583 -1.521 -17.634 1.00 54.13 O ATOM 143 CB THR A 10 -5.374 -0.349 -19.226 1.00 11.43 C ATOM 144 OG1 THR A 10 -6.488 -0.779 -20.010 1.00 4.34 O ATOM 145 CG2 THR A 10 -4.246 0.090 -20.183 1.00 33.30 C ATOM 0 H THR A 10 -6.824 -1.316 -17.352 1.00 22.22 H new ATOM 0 HA THR A 10 -4.653 -2.357 -18.852 1.00 13.31 H new ATOM 0 HB THR A 10 -5.650 0.501 -18.602 1.00 11.43 H new ATOM 0 HG1 THR A 10 -7.315 -0.654 -19.499 1.00 4.34 H new ATOM 0 HG21 THR A 10 -4.612 0.880 -20.839 1.00 33.30 H new ATOM 0 HG22 THR A 10 -3.401 0.462 -19.603 1.00 33.30 H new ATOM 0 HG23 THR A 10 -3.927 -0.761 -20.784 1.00 33.30 H new ATOM 153 N GLN A 11 -3.914 -0.063 -16.516 1.00 23.14 N ATOM 154 CA GLN A 11 -2.855 0.440 -15.623 1.00 53.22 C ATOM 155 C GLN A 11 -2.381 -0.655 -14.658 1.00 51.21 C ATOM 156 O GLN A 11 -1.251 -0.615 -14.203 1.00 13.42 O ATOM 157 CB GLN A 11 -3.338 1.677 -14.823 1.00 74.51 C ATOM 158 CG GLN A 11 -4.466 1.394 -13.807 1.00 44.21 C ATOM 159 CD GLN A 11 -4.930 2.631 -13.043 1.00 71.32 C ATOM 160 OE1 GLN A 11 -6.188 2.655 -12.634 1.00 15.22 O flip ATOM 161 NE2 GLN A 11 -4.159 3.561 -12.811 1.00 63.41 N flip ATOM 0 H GLN A 11 -4.822 0.377 -16.370 1.00 23.14 H new ATOM 0 HA GLN A 11 -2.015 0.739 -16.250 1.00 53.22 H new ATOM 0 HB2 GLN A 11 -2.487 2.102 -14.290 1.00 74.51 H new ATOM 0 HB3 GLN A 11 -3.684 2.434 -15.527 1.00 74.51 H new ATOM 0 HG2 GLN A 11 -5.317 0.963 -14.334 1.00 44.21 H new ATOM 0 HG3 GLN A 11 -4.121 0.646 -13.094 1.00 44.21 H new ATOM 0 HE21 GLN A 11 -3.194 3.517 -13.138 1.00 63.41 H new ATOM 0 HE22 GLN A 11 -4.485 4.376 -12.292 1.00 63.41 H new ATOM 170 N LEU A 12 -3.261 -1.637 -14.374 1.00 42.10 N ATOM 171 CA LEU A 12 -2.984 -2.725 -13.428 1.00 74.04 C ATOM 172 C LEU A 12 -1.830 -3.621 -13.886 1.00 11.11 C ATOM 173 O LEU A 12 -1.056 -4.103 -13.042 1.00 43.21 O ATOM 174 CB LEU A 12 -4.245 -3.570 -13.202 1.00 4.32 C ATOM 175 CG LEU A 12 -4.102 -4.815 -12.282 1.00 44.21 C ATOM 176 CD1 LEU A 12 -3.616 -4.426 -10.873 1.00 54.45 C ATOM 177 CD2 LEU A 12 -5.420 -5.593 -12.237 1.00 3.44 C ATOM 0 H LEU A 12 -4.186 -1.693 -14.799 1.00 42.10 H new ATOM 0 HA LEU A 12 -2.682 -2.260 -12.490 1.00 74.04 H new ATOM 0 HB2 LEU A 12 -5.015 -2.924 -12.781 1.00 4.32 H new ATOM 0 HB3 LEU A 12 -4.607 -3.906 -14.174 1.00 4.32 H new ATOM 0 HG LEU A 12 -3.338 -5.468 -12.704 1.00 44.21 H new ATOM 0 HD11 LEU A 12 -3.528 -5.322 -10.258 1.00 54.45 H new ATOM 0 HD12 LEU A 12 -2.644 -3.938 -10.945 1.00 54.45 H new ATOM 0 HD13 LEU A 12 -4.332 -3.742 -10.417 1.00 54.45 H new ATOM 0 HD21 LEU A 12 -5.307 -6.463 -11.590 1.00 3.44 H new ATOM 0 HD22 LEU A 12 -6.209 -4.950 -11.847 1.00 3.44 H new ATOM 0 HD23 LEU A 12 -5.683 -5.921 -13.243 1.00 3.44 H new ATOM 189 N GLN A 13 -1.706 -3.851 -15.213 1.00 52.11 N ATOM 190 CA GLN A 13 -0.573 -4.626 -15.730 1.00 52.31 C ATOM 191 C GLN A 13 0.733 -3.864 -15.420 1.00 34.11 C ATOM 192 O GLN A 13 1.698 -4.468 -15.003 1.00 73.10 O ATOM 193 CB GLN A 13 -0.698 -4.973 -17.239 1.00 73.04 C ATOM 194 CG GLN A 13 -0.512 -3.812 -18.231 1.00 13.42 C ATOM 195 CD GLN A 13 -0.461 -4.239 -19.706 1.00 33.24 C ATOM 196 OE1 GLN A 13 0.062 -5.430 -19.998 1.00 44.32 O flip ATOM 197 NE2 GLN A 13 -0.870 -3.486 -20.592 1.00 21.42 N flip ATOM 0 H GLN A 13 -2.360 -3.519 -15.922 1.00 52.11 H new ATOM 0 HA GLN A 13 -0.565 -5.592 -15.224 1.00 52.31 H new ATOM 0 HB2 GLN A 13 0.037 -5.743 -17.474 1.00 73.04 H new ATOM 0 HB3 GLN A 13 -1.682 -5.411 -17.407 1.00 73.04 H new ATOM 0 HG2 GLN A 13 -1.329 -3.103 -18.099 1.00 13.42 H new ATOM 0 HG3 GLN A 13 0.410 -3.285 -17.986 1.00 13.42 H new ATOM 0 HE21 GLN A 13 -1.267 -2.579 -20.347 1.00 21.42 H new ATOM 0 HE22 GLN A 13 -0.812 -3.770 -21.570 1.00 21.42 H new ATOM 206 N ALA A 14 0.684 -2.513 -15.523 1.00 15.11 N ATOM 207 CA ALA A 14 1.813 -1.638 -15.161 1.00 21.20 C ATOM 208 C ALA A 14 2.094 -1.697 -13.647 1.00 14.14 C ATOM 209 O ALA A 14 3.249 -1.688 -13.251 1.00 53.34 O ATOM 210 CB ALA A 14 1.561 -0.189 -15.611 1.00 75.35 C ATOM 0 H ALA A 14 -0.136 -2.008 -15.858 1.00 15.11 H new ATOM 0 HA ALA A 14 2.696 -2.004 -15.685 1.00 21.20 H new ATOM 0 HB1 ALA A 14 2.411 0.432 -15.330 1.00 75.35 H new ATOM 0 HB2 ALA A 14 1.433 -0.161 -16.693 1.00 75.35 H new ATOM 0 HB3 ALA A 14 0.660 0.190 -15.129 1.00 75.35 H new ATOM 216 N ASN A 15 1.013 -1.762 -12.816 1.00 64.01 N ATOM 217 CA ASN A 15 1.114 -1.907 -11.336 1.00 32.40 C ATOM 218 C ASN A 15 1.949 -3.141 -10.945 1.00 10.21 C ATOM 219 O ASN A 15 2.848 -3.050 -10.107 1.00 64.20 O ATOM 220 CB ASN A 15 -0.294 -2.007 -10.663 1.00 40.13 C ATOM 221 CG ASN A 15 -1.118 -0.708 -10.629 1.00 40.53 C ATOM 222 OD1 ASN A 15 -0.978 0.160 -11.621 1.00 42.11 O flip ATOM 223 ND2 ASN A 15 -1.895 -0.493 -9.705 1.00 41.30 N flip ATOM 0 H ASN A 15 0.052 -1.715 -13.154 1.00 64.01 H new ATOM 0 HA ASN A 15 1.613 -1.008 -10.974 1.00 32.40 H new ATOM 0 HB2 ASN A 15 -0.873 -2.767 -11.188 1.00 40.13 H new ATOM 0 HB3 ASN A 15 -0.162 -2.357 -9.639 1.00 40.13 H new ATOM 0 HD21 ASN A 15 -1.990 -1.172 -8.950 1.00 41.30 H new ATOM 0 HD22 ASN A 15 -2.446 0.365 -9.692 1.00 41.30 H new ATOM 230 N ARG A 16 1.639 -4.299 -11.567 1.00 3.10 N ATOM 231 CA ARG A 16 2.334 -5.566 -11.264 1.00 73.44 C ATOM 232 C ARG A 16 3.698 -5.654 -11.981 1.00 15.21 C ATOM 233 O ARG A 16 4.615 -6.294 -11.468 1.00 30.13 O ATOM 234 CB ARG A 16 1.450 -6.808 -11.602 1.00 41.51 C ATOM 235 CG ARG A 16 1.019 -6.943 -13.081 1.00 33.25 C ATOM 236 CD ARG A 16 0.355 -8.300 -13.409 1.00 60.42 C ATOM 237 NE ARG A 16 -0.839 -8.597 -12.580 1.00 11.44 N ATOM 238 CZ ARG A 16 -1.886 -9.354 -12.971 1.00 24.44 C ATOM 239 NH1 ARG A 16 -1.928 -9.889 -14.188 1.00 33.12 N ATOM 240 NH2 ARG A 16 -2.873 -9.611 -12.121 1.00 62.51 N ATOM 0 H ARG A 16 0.914 -4.381 -12.280 1.00 3.10 H new ATOM 0 HA ARG A 16 2.520 -5.573 -10.190 1.00 73.44 H new ATOM 0 HB2 ARG A 16 1.996 -7.708 -11.319 1.00 41.51 H new ATOM 0 HB3 ARG A 16 0.553 -6.772 -10.983 1.00 41.51 H new ATOM 0 HG2 ARG A 16 0.324 -6.139 -13.323 1.00 33.25 H new ATOM 0 HG3 ARG A 16 1.893 -6.812 -13.719 1.00 33.25 H new ATOM 0 HD2 ARG A 16 0.067 -8.309 -14.460 1.00 60.42 H new ATOM 0 HD3 ARG A 16 1.088 -9.095 -13.272 1.00 60.42 H new ATOM 0 HE ARG A 16 -0.871 -8.198 -11.642 1.00 11.44 H new ATOM 0 HH11 ARG A 16 -1.161 -9.730 -14.842 1.00 33.12 H new ATOM 0 HH12 ARG A 16 -2.727 -10.459 -14.467 1.00 33.12 H new ATOM 0 HH21 ARG A 16 -2.840 -9.236 -11.173 1.00 62.51 H new ATOM 0 HH22 ARG A 16 -3.664 -10.183 -12.416 1.00 62.51 H new ATOM 254 N ASP A 17 3.819 -4.988 -13.158 1.00 1.11 N ATOM 255 CA ASP A 17 5.070 -4.975 -13.960 1.00 63.21 C ATOM 256 C ASP A 17 6.177 -4.195 -13.243 1.00 63.42 C ATOM 257 O ASP A 17 7.302 -4.695 -13.118 1.00 34.10 O ATOM 258 CB ASP A 17 4.848 -4.387 -15.397 1.00 13.40 C ATOM 259 CG ASP A 17 4.504 -5.458 -16.455 1.00 52.12 C ATOM 260 OD1 ASP A 17 5.403 -6.235 -16.819 1.00 62.01 O ATOM 261 OD2 ASP A 17 3.358 -5.525 -16.939 1.00 44.31 O ATOM 0 H ASP A 17 3.060 -4.450 -13.575 1.00 1.11 H new ATOM 0 HA ASP A 17 5.380 -6.014 -14.069 1.00 63.21 H new ATOM 0 HB2 ASP A 17 4.043 -3.653 -15.360 1.00 13.40 H new ATOM 0 HB3 ASP A 17 5.749 -3.857 -15.707 1.00 13.40 H new ATOM 266 N GLU A 18 5.849 -2.958 -12.788 1.00 44.44 N ATOM 267 CA GLU A 18 6.802 -2.095 -12.067 1.00 64.30 C ATOM 268 C GLU A 18 7.275 -2.767 -10.765 1.00 41.32 C ATOM 269 O GLU A 18 8.435 -2.635 -10.401 1.00 31.04 O ATOM 270 CB GLU A 18 6.209 -0.693 -11.747 1.00 54.12 C ATOM 271 CG GLU A 18 4.967 -0.703 -10.817 1.00 22.21 C ATOM 272 CD GLU A 18 4.893 0.505 -9.873 1.00 40.41 C ATOM 273 OE1 GLU A 18 4.328 1.553 -10.249 1.00 70.23 O ATOM 274 OE2 GLU A 18 5.427 0.405 -8.755 1.00 10.33 O ATOM 0 H GLU A 18 4.926 -2.541 -12.912 1.00 44.44 H new ATOM 0 HA GLU A 18 7.654 -1.952 -12.732 1.00 64.30 H new ATOM 0 HB2 GLU A 18 6.986 -0.084 -11.285 1.00 54.12 H new ATOM 0 HB3 GLU A 18 5.938 -0.207 -12.684 1.00 54.12 H new ATOM 0 HG2 GLU A 18 4.066 -0.730 -11.429 1.00 22.21 H new ATOM 0 HG3 GLU A 18 4.976 -1.617 -10.223 1.00 22.21 H new ATOM 281 N LYS A 19 6.362 -3.491 -10.082 1.00 1.24 N ATOM 282 CA LYS A 19 6.683 -4.209 -8.836 1.00 52.42 C ATOM 283 C LYS A 19 7.544 -5.453 -9.110 1.00 12.22 C ATOM 284 O LYS A 19 8.419 -5.790 -8.311 1.00 23.15 O ATOM 285 CB LYS A 19 5.393 -4.613 -8.083 1.00 33.54 C ATOM 286 CG LYS A 19 4.602 -3.444 -7.471 1.00 5.20 C ATOM 287 CD LYS A 19 5.448 -2.582 -6.506 1.00 32.23 C ATOM 288 CE LYS A 19 4.598 -1.563 -5.740 1.00 42.14 C ATOM 289 NZ LYS A 19 3.751 -0.732 -6.640 1.00 43.11 N ATOM 0 H LYS A 19 5.391 -3.592 -10.378 1.00 1.24 H new ATOM 0 HA LYS A 19 7.257 -3.528 -8.208 1.00 52.42 H new ATOM 0 HB2 LYS A 19 4.742 -5.151 -8.772 1.00 33.54 H new ATOM 0 HB3 LYS A 19 5.658 -5.308 -7.287 1.00 33.54 H new ATOM 0 HG2 LYS A 19 4.219 -2.812 -8.273 1.00 5.20 H new ATOM 0 HG3 LYS A 19 3.738 -3.838 -6.935 1.00 5.20 H new ATOM 0 HD2 LYS A 19 5.960 -3.232 -5.796 1.00 32.23 H new ATOM 0 HD3 LYS A 19 6.218 -2.058 -7.071 1.00 32.23 H new ATOM 0 HE2 LYS A 19 3.960 -2.089 -5.030 1.00 42.14 H new ATOM 0 HE3 LYS A 19 5.252 -0.912 -5.160 1.00 42.14 H new ATOM 0 HZ1 LYS A 19 3.690 0.236 -6.264 1.00 43.11 H new ATOM 0 HZ2 LYS A 19 4.174 -0.708 -7.590 1.00 43.11 H new ATOM 0 HZ3 LYS A 19 2.797 -1.143 -6.696 1.00 43.11 H new ATOM 303 N ASP A 20 7.277 -6.126 -10.240 1.00 14.21 N ATOM 304 CA ASP A 20 8.047 -7.307 -10.675 1.00 72.02 C ATOM 305 C ASP A 20 9.514 -6.920 -10.911 1.00 10.22 C ATOM 306 O ASP A 20 10.424 -7.572 -10.398 1.00 14.31 O ATOM 307 CB ASP A 20 7.431 -7.923 -11.963 1.00 20.00 C ATOM 308 CG ASP A 20 8.213 -9.145 -12.483 1.00 61.43 C ATOM 309 OD1 ASP A 20 7.959 -10.276 -12.012 1.00 43.44 O ATOM 310 OD2 ASP A 20 9.077 -8.982 -13.376 1.00 44.51 O ATOM 0 H ASP A 20 6.524 -5.870 -10.878 1.00 14.21 H new ATOM 0 HA ASP A 20 8.004 -8.059 -9.887 1.00 72.02 H new ATOM 0 HB2 ASP A 20 6.401 -8.217 -11.761 1.00 20.00 H new ATOM 0 HB3 ASP A 20 7.398 -7.162 -12.743 1.00 20.00 H new ATOM 315 N ARG A 21 9.720 -5.810 -11.646 1.00 14.34 N ATOM 316 CA ARG A 21 11.068 -5.317 -11.978 1.00 42.50 C ATOM 317 C ARG A 21 11.654 -4.490 -10.830 1.00 31.01 C ATOM 318 O ARG A 21 12.834 -4.193 -10.842 1.00 21.32 O ATOM 319 CB ARG A 21 11.062 -4.499 -13.293 1.00 3.10 C ATOM 320 CG ARG A 21 10.262 -3.183 -13.259 1.00 61.03 C ATOM 321 CD ARG A 21 10.178 -2.526 -14.645 1.00 63.02 C ATOM 322 NE ARG A 21 9.586 -3.446 -15.643 1.00 71.22 N ATOM 323 CZ ARG A 21 8.408 -3.281 -16.265 1.00 12.15 C ATOM 324 NH1 ARG A 21 7.647 -2.216 -16.025 1.00 24.14 N ATOM 325 NH2 ARG A 21 7.981 -4.208 -17.109 1.00 22.20 N ATOM 0 H ARG A 21 8.965 -5.236 -12.022 1.00 14.34 H new ATOM 0 HA ARG A 21 11.705 -6.189 -12.128 1.00 42.50 H new ATOM 0 HB2 ARG A 21 12.093 -4.269 -13.560 1.00 3.10 H new ATOM 0 HB3 ARG A 21 10.659 -5.127 -14.088 1.00 3.10 H new ATOM 0 HG2 ARG A 21 9.256 -3.380 -12.889 1.00 61.03 H new ATOM 0 HG3 ARG A 21 10.730 -2.492 -12.558 1.00 61.03 H new ATOM 0 HD2 ARG A 21 9.578 -1.618 -14.583 1.00 63.02 H new ATOM 0 HD3 ARG A 21 11.175 -2.228 -14.969 1.00 63.02 H new ATOM 0 HE ARG A 21 10.122 -4.281 -15.879 1.00 71.22 H new ATOM 0 HH11 ARG A 21 7.956 -1.508 -15.359 1.00 24.14 H new ATOM 0 HH12 ARG A 21 6.755 -2.108 -16.507 1.00 24.14 H new ATOM 0 HH21 ARG A 21 8.546 -5.039 -17.282 1.00 22.20 H new ATOM 0 HH22 ARG A 21 7.087 -4.091 -17.586 1.00 22.20 H new ATOM 339 N PHE A 22 10.809 -4.078 -9.863 1.00 2.32 N ATOM 340 CA PHE A 22 11.291 -3.501 -8.592 1.00 31.30 C ATOM 341 C PHE A 22 12.034 -4.580 -7.787 1.00 14.42 C ATOM 342 O PHE A 22 13.081 -4.322 -7.198 1.00 55.51 O ATOM 343 CB PHE A 22 10.115 -2.913 -7.763 1.00 20.33 C ATOM 344 CG PHE A 22 10.544 -2.006 -6.611 1.00 5.11 C ATOM 345 CD1 PHE A 22 10.892 -2.531 -5.362 1.00 14.12 C ATOM 346 CD2 PHE A 22 10.608 -0.622 -6.783 1.00 51.23 C ATOM 347 CE1 PHE A 22 11.283 -1.704 -4.330 1.00 33.35 C ATOM 348 CE2 PHE A 22 10.999 0.201 -5.746 1.00 40.24 C ATOM 349 CZ PHE A 22 11.339 -0.340 -4.522 1.00 12.15 C ATOM 0 H PHE A 22 9.793 -4.134 -9.938 1.00 2.32 H new ATOM 0 HA PHE A 22 11.977 -2.684 -8.816 1.00 31.30 H new ATOM 0 HB2 PHE A 22 9.463 -2.349 -8.430 1.00 20.33 H new ATOM 0 HB3 PHE A 22 9.524 -3.736 -7.361 1.00 20.33 H new ATOM 0 HD1 PHE A 22 10.854 -3.599 -5.204 1.00 14.12 H new ATOM 0 HD2 PHE A 22 10.349 -0.190 -7.738 1.00 51.23 H new ATOM 0 HE1 PHE A 22 11.546 -2.125 -3.371 1.00 33.35 H new ATOM 0 HE2 PHE A 22 11.039 1.270 -5.892 1.00 40.24 H new ATOM 0 HZ PHE A 22 11.649 0.306 -3.714 1.00 12.15 H new ATOM 359 N PHE A 23 11.458 -5.792 -7.783 1.00 22.43 N ATOM 360 CA PHE A 23 12.008 -6.953 -7.061 1.00 64.43 C ATOM 361 C PHE A 23 13.090 -7.678 -7.897 1.00 60.42 C ATOM 362 O PHE A 23 13.909 -8.403 -7.344 1.00 53.21 O ATOM 363 CB PHE A 23 10.857 -7.938 -6.677 1.00 1.13 C ATOM 364 CG PHE A 23 9.929 -7.470 -5.535 1.00 63.33 C ATOM 365 CD1 PHE A 23 9.445 -6.159 -5.467 1.00 24.12 C ATOM 366 CD2 PHE A 23 9.531 -8.360 -4.532 1.00 75.51 C ATOM 367 CE1 PHE A 23 8.606 -5.757 -4.443 1.00 5.15 C ATOM 368 CE2 PHE A 23 8.692 -7.954 -3.508 1.00 25.11 C ATOM 369 CZ PHE A 23 8.230 -6.654 -3.463 1.00 44.15 C ATOM 0 H PHE A 23 10.593 -5.997 -8.283 1.00 22.43 H new ATOM 0 HA PHE A 23 12.485 -6.592 -6.150 1.00 64.43 H new ATOM 0 HB2 PHE A 23 10.249 -8.120 -7.563 1.00 1.13 H new ATOM 0 HB3 PHE A 23 11.300 -8.892 -6.392 1.00 1.13 H new ATOM 0 HD1 PHE A 23 9.732 -5.448 -6.228 1.00 24.12 H new ATOM 0 HD2 PHE A 23 9.884 -9.380 -4.557 1.00 75.51 H new ATOM 0 HE1 PHE A 23 8.245 -4.740 -4.410 1.00 5.15 H new ATOM 0 HE2 PHE A 23 8.398 -8.657 -2.742 1.00 25.11 H new ATOM 0 HZ PHE A 23 7.576 -6.339 -2.663 1.00 44.15 H new ATOM 379 N SER A 24 13.107 -7.484 -9.226 1.00 24.34 N ATOM 380 CA SER A 24 14.065 -8.191 -10.113 1.00 41.20 C ATOM 381 C SER A 24 15.267 -7.315 -10.531 1.00 32.03 C ATOM 382 O SER A 24 16.405 -7.803 -10.558 1.00 31.42 O ATOM 383 CB SER A 24 13.323 -8.726 -11.357 1.00 22.15 C ATOM 384 OG SER A 24 12.312 -9.660 -10.988 1.00 11.14 O ATOM 0 H SER A 24 12.475 -6.849 -9.714 1.00 24.34 H new ATOM 0 HA SER A 24 14.480 -9.022 -9.542 1.00 41.20 H new ATOM 0 HB2 SER A 24 12.874 -7.896 -11.902 1.00 22.15 H new ATOM 0 HB3 SER A 24 14.034 -9.203 -12.032 1.00 22.15 H new ATOM 0 HG SER A 24 11.502 -9.177 -10.722 1.00 11.14 H new ATOM 390 N GLU A 25 15.031 -6.026 -10.848 1.00 53.01 N ATOM 391 CA GLU A 25 16.019 -5.179 -11.568 1.00 70.23 C ATOM 392 C GLU A 25 16.470 -3.989 -10.702 1.00 32.23 C ATOM 393 O GLU A 25 17.672 -3.731 -10.564 1.00 3.10 O ATOM 394 CB GLU A 25 15.380 -4.658 -12.890 1.00 23.23 C ATOM 395 CG GLU A 25 14.891 -5.767 -13.851 1.00 24.31 C ATOM 396 CD GLU A 25 16.040 -6.586 -14.472 1.00 4.44 C ATOM 397 OE1 GLU A 25 16.459 -7.602 -13.876 1.00 63.41 O ATOM 398 OE2 GLU A 25 16.528 -6.210 -15.560 1.00 34.25 O ATOM 0 H GLU A 25 14.163 -5.542 -10.618 1.00 53.01 H new ATOM 0 HA GLU A 25 16.898 -5.784 -11.791 1.00 70.23 H new ATOM 0 HB2 GLU A 25 14.537 -4.014 -12.641 1.00 23.23 H new ATOM 0 HB3 GLU A 25 16.110 -4.040 -13.412 1.00 23.23 H new ATOM 0 HG2 GLU A 25 14.226 -6.440 -13.310 1.00 24.31 H new ATOM 0 HG3 GLU A 25 14.304 -5.313 -14.650 1.00 24.31 H new ATOM 405 N HIS A 26 15.485 -3.270 -10.135 1.00 0.40 N ATOM 406 CA HIS A 26 15.712 -2.061 -9.319 1.00 3.12 C ATOM 407 C HIS A 26 16.442 -2.430 -8.020 1.00 42.03 C ATOM 408 O HIS A 26 17.504 -1.887 -7.688 1.00 33.55 O ATOM 409 CB HIS A 26 14.348 -1.385 -9.007 1.00 55.41 C ATOM 410 CG HIS A 26 14.449 -0.157 -8.141 1.00 54.31 C ATOM 411 ND1 HIS A 26 14.370 -0.235 -6.770 1.00 0.21 N ATOM 412 CD2 HIS A 26 14.665 1.130 -8.493 1.00 20.01 C ATOM 413 CE1 HIS A 26 14.547 0.993 -6.328 1.00 24.31 C ATOM 414 NE2 HIS A 26 14.729 1.852 -7.335 1.00 3.50 N ATOM 0 H HIS A 26 14.499 -3.513 -10.231 1.00 0.40 H new ATOM 0 HA HIS A 26 16.336 -1.360 -9.874 1.00 3.12 H new ATOM 0 HB2 HIS A 26 13.867 -1.114 -9.947 1.00 55.41 H new ATOM 0 HB3 HIS A 26 13.700 -2.110 -8.515 1.00 55.41 H new ATOM 0 HD2 HIS A 26 14.767 1.514 -9.497 1.00 20.01 H new ATOM 0 HE1 HIS A 26 14.545 1.270 -5.284 1.00 24.31 H new ATOM 0 HE2 HIS A 26 14.886 2.857 -7.254 1.00 3.50 H new ATOM 422 N ARG A 27 15.837 -3.373 -7.310 1.00 52.14 N ATOM 423 CA ARG A 27 16.354 -3.944 -6.069 1.00 22.14 C ATOM 424 C ARG A 27 16.282 -5.461 -6.152 1.00 52.44 C ATOM 425 O ARG A 27 15.502 -6.016 -6.929 1.00 23.50 O ATOM 426 CB ARG A 27 15.562 -3.420 -4.828 1.00 40.33 C ATOM 427 CG ARG A 27 15.961 -1.997 -4.376 1.00 12.30 C ATOM 428 CD ARG A 27 17.450 -1.911 -4.000 1.00 60.23 C ATOM 429 NE ARG A 27 17.865 -0.571 -3.565 1.00 53.14 N ATOM 430 CZ ARG A 27 18.528 0.315 -4.320 1.00 73.12 C ATOM 431 NH1 ARG A 27 18.859 0.033 -5.577 1.00 44.24 N ATOM 432 NH2 ARG A 27 18.905 1.465 -3.787 1.00 4.32 N ATOM 0 H ARG A 27 14.943 -3.776 -7.590 1.00 52.14 H new ATOM 0 HA ARG A 27 17.391 -3.634 -5.943 1.00 22.14 H new ATOM 0 HB2 ARG A 27 14.497 -3.430 -5.060 1.00 40.33 H new ATOM 0 HB3 ARG A 27 15.714 -4.109 -3.997 1.00 40.33 H new ATOM 0 HG2 ARG A 27 15.747 -1.289 -5.176 1.00 12.30 H new ATOM 0 HG3 ARG A 27 15.353 -1.704 -3.520 1.00 12.30 H new ATOM 0 HD2 ARG A 27 17.658 -2.624 -3.202 1.00 60.23 H new ATOM 0 HD3 ARG A 27 18.052 -2.209 -4.859 1.00 60.23 H new ATOM 0 HE ARG A 27 17.630 -0.293 -2.612 1.00 53.14 H new ATOM 0 HH11 ARG A 27 18.608 -0.870 -5.980 1.00 44.24 H new ATOM 0 HH12 ARG A 27 19.364 0.719 -6.138 1.00 44.24 H new ATOM 0 HH21 ARG A 27 18.690 1.669 -2.811 1.00 4.32 H new ATOM 0 HH22 ARG A 27 19.410 2.148 -4.352 1.00 4.32 H new ATOM 446 N GLN A 28 17.169 -6.111 -5.398 1.00 31.24 N ATOM 447 CA GLN A 28 17.091 -7.550 -5.122 1.00 30.44 C ATOM 448 C GLN A 28 15.727 -7.893 -4.465 1.00 52.20 C ATOM 449 O GLN A 28 15.212 -7.114 -3.641 1.00 21.14 O ATOM 450 CB GLN A 28 18.310 -7.970 -4.229 1.00 62.31 C ATOM 451 CG GLN A 28 18.574 -7.061 -2.990 1.00 43.34 C ATOM 452 CD GLN A 28 17.630 -7.297 -1.799 1.00 71.14 C ATOM 453 OE1 GLN A 28 17.193 -8.420 -1.539 1.00 73.33 O ATOM 454 NE2 GLN A 28 17.287 -6.238 -1.083 1.00 13.32 N ATOM 0 H GLN A 28 17.967 -5.653 -4.958 1.00 31.24 H new ATOM 0 HA GLN A 28 17.147 -8.118 -6.051 1.00 30.44 H new ATOM 0 HB2 GLN A 28 18.150 -8.991 -3.882 1.00 62.31 H new ATOM 0 HB3 GLN A 28 19.207 -7.980 -4.849 1.00 62.31 H new ATOM 0 HG2 GLN A 28 19.600 -7.215 -2.657 1.00 43.34 H new ATOM 0 HG3 GLN A 28 18.492 -6.019 -3.299 1.00 43.34 H new ATOM 0 HE21 GLN A 28 17.663 -5.319 -1.319 1.00 13.32 H new ATOM 0 HE22 GLN A 28 16.647 -6.340 -0.295 1.00 13.32 H new ATOM 463 N SER A 29 15.115 -9.003 -4.903 1.00 5.13 N ATOM 464 CA SER A 29 13.852 -9.490 -4.331 1.00 63.42 C ATOM 465 C SER A 29 14.036 -9.886 -2.849 1.00 20.01 C ATOM 466 O SER A 29 14.919 -10.699 -2.532 1.00 4.54 O ATOM 467 CB SER A 29 13.304 -10.679 -5.158 1.00 35.54 C ATOM 468 OG SER A 29 14.295 -11.653 -5.354 1.00 44.15 O ATOM 0 H SER A 29 15.479 -9.584 -5.658 1.00 5.13 H new ATOM 0 HA SER A 29 13.123 -8.681 -4.373 1.00 63.42 H new ATOM 0 HB2 SER A 29 12.450 -11.121 -4.644 1.00 35.54 H new ATOM 0 HB3 SER A 29 12.945 -10.321 -6.123 1.00 35.54 H new ATOM 0 HG SER A 29 14.794 -11.784 -4.521 1.00 44.15 H new ATOM 474 N PRO A 30 13.202 -9.309 -1.924 1.00 20.14 N ATOM 475 CA PRO A 30 13.215 -9.660 -0.479 1.00 32.43 C ATOM 476 C PRO A 30 12.797 -11.118 -0.224 1.00 21.31 C ATOM 477 O PRO A 30 12.990 -11.644 0.874 1.00 73.21 O ATOM 478 CB PRO A 30 12.194 -8.674 0.144 1.00 61.35 C ATOM 479 CG PRO A 30 12.030 -7.588 -0.870 1.00 60.24 C ATOM 480 CD PRO A 30 12.205 -8.250 -2.204 1.00 45.53 C ATOM 0 HA PRO A 30 14.214 -9.579 -0.049 1.00 32.43 H new ATOM 0 HB2 PRO A 30 11.244 -9.168 0.349 1.00 61.35 H new ATOM 0 HB3 PRO A 30 12.558 -8.277 1.091 1.00 61.35 H new ATOM 0 HG2 PRO A 30 11.048 -7.122 -0.790 1.00 60.24 H new ATOM 0 HG3 PRO A 30 12.769 -6.800 -0.724 1.00 60.24 H new ATOM 0 HD2 PRO A 30 11.268 -8.666 -2.574 1.00 45.53 H new ATOM 0 HD3 PRO A 30 12.562 -7.549 -2.958 1.00 45.53 H new ATOM 488 N ILE A 31 12.189 -11.740 -1.249 1.00 12.20 N ATOM 489 CA ILE A 31 11.819 -13.156 -1.215 1.00 23.33 C ATOM 490 C ILE A 31 13.117 -13.998 -1.055 1.00 21.23 C ATOM 491 O ILE A 31 13.983 -13.940 -1.935 1.00 55.14 O ATOM 492 CB ILE A 31 11.027 -13.583 -2.515 1.00 64.55 C ATOM 493 CG1 ILE A 31 9.930 -12.523 -2.898 1.00 43.10 C ATOM 494 CG2 ILE A 31 10.397 -14.990 -2.339 1.00 42.15 C ATOM 495 CD1 ILE A 31 8.881 -12.238 -1.828 1.00 53.44 C ATOM 0 H ILE A 31 11.943 -11.271 -2.121 1.00 12.20 H new ATOM 0 HA ILE A 31 11.153 -13.333 -0.371 1.00 23.33 H new ATOM 0 HB ILE A 31 11.742 -13.627 -3.336 1.00 64.55 H new ATOM 0 HG12 ILE A 31 10.428 -11.587 -3.150 1.00 43.10 H new ATOM 0 HG13 ILE A 31 9.420 -12.865 -3.798 1.00 43.10 H new ATOM 0 HG21 ILE A 31 9.857 -15.263 -3.246 1.00 42.15 H new ATOM 0 HG22 ILE A 31 11.184 -15.720 -2.152 1.00 42.15 H new ATOM 0 HG23 ILE A 31 9.706 -14.977 -1.496 1.00 42.15 H new ATOM 0 HD11 ILE A 31 8.176 -11.494 -2.199 1.00 53.44 H new ATOM 0 HD12 ILE A 31 8.346 -13.157 -1.589 1.00 53.44 H new ATOM 0 HD13 ILE A 31 9.370 -11.859 -0.931 1.00 53.44 H new ATOM 507 N PRO A 32 13.280 -14.740 0.094 1.00 1.24 N ATOM 508 CA PRO A 32 14.546 -15.451 0.459 1.00 34.42 C ATOM 509 C PRO A 32 15.017 -16.469 -0.618 1.00 22.43 C ATOM 510 O PRO A 32 14.192 -16.934 -1.389 1.00 0.13 O ATOM 511 CB PRO A 32 14.168 -16.147 1.796 1.00 20.23 C ATOM 512 CG PRO A 32 13.035 -15.350 2.342 1.00 14.44 C ATOM 513 CD PRO A 32 12.236 -14.960 1.132 1.00 50.25 C ATOM 0 HA PRO A 32 15.395 -14.773 0.541 1.00 34.42 H new ATOM 0 HB2 PRO A 32 13.877 -17.184 1.632 1.00 20.23 H new ATOM 0 HB3 PRO A 32 15.011 -16.158 2.487 1.00 20.23 H new ATOM 0 HG2 PRO A 32 12.438 -15.936 3.041 1.00 14.44 H new ATOM 0 HG3 PRO A 32 13.390 -14.473 2.883 1.00 14.44 H new ATOM 0 HD2 PRO A 32 11.537 -15.744 0.841 1.00 50.25 H new ATOM 0 HD3 PRO A 32 11.649 -14.059 1.310 1.00 50.25 H new ATOM 521 N PRO A 33 16.348 -16.859 -0.647 1.00 35.43 N ATOM 522 CA PRO A 33 16.985 -17.592 -1.793 1.00 1.54 C ATOM 523 C PRO A 33 16.241 -18.876 -2.227 1.00 41.33 C ATOM 524 O PRO A 33 15.963 -19.068 -3.419 1.00 63.12 O ATOM 525 CB PRO A 33 18.417 -17.910 -1.266 1.00 32.30 C ATOM 526 CG PRO A 33 18.324 -17.760 0.224 1.00 43.01 C ATOM 527 CD PRO A 33 17.339 -16.641 0.441 1.00 13.01 C ATOM 0 HA PRO A 33 16.970 -16.988 -2.700 1.00 1.54 H new ATOM 0 HB2 PRO A 33 18.725 -18.918 -1.543 1.00 32.30 H new ATOM 0 HB3 PRO A 33 19.154 -17.225 -1.687 1.00 32.30 H new ATOM 0 HG2 PRO A 33 17.983 -18.683 0.693 1.00 43.01 H new ATOM 0 HG3 PRO A 33 19.295 -17.521 0.658 1.00 43.01 H new ATOM 0 HD2 PRO A 33 16.876 -16.695 1.426 1.00 13.01 H new ATOM 0 HD3 PRO A 33 17.814 -15.663 0.365 1.00 13.01 H new ATOM 535 N GLU A 34 15.904 -19.732 -1.249 1.00 71.41 N ATOM 536 CA GLU A 34 15.216 -21.013 -1.512 1.00 11.23 C ATOM 537 C GLU A 34 13.750 -20.777 -1.916 1.00 32.25 C ATOM 538 O GLU A 34 13.213 -21.507 -2.758 1.00 21.15 O ATOM 539 CB GLU A 34 15.305 -21.999 -0.303 1.00 14.12 C ATOM 540 CG GLU A 34 14.586 -21.563 0.998 1.00 14.41 C ATOM 541 CD GLU A 34 15.284 -20.414 1.732 1.00 11.32 C ATOM 542 OE1 GLU A 34 16.214 -20.676 2.520 1.00 55.35 O ATOM 543 OE2 GLU A 34 14.926 -19.245 1.502 1.00 55.10 O ATOM 0 H GLU A 34 16.097 -19.561 -0.262 1.00 71.41 H new ATOM 0 HA GLU A 34 15.736 -21.484 -2.346 1.00 11.23 H new ATOM 0 HB2 GLU A 34 14.894 -22.959 -0.615 1.00 14.12 H new ATOM 0 HB3 GLU A 34 16.358 -22.163 -0.073 1.00 14.12 H new ATOM 0 HG2 GLU A 34 13.567 -21.262 0.756 1.00 14.41 H new ATOM 0 HG3 GLU A 34 14.514 -22.420 1.668 1.00 14.41 H new ATOM 550 N GLU A 35 13.111 -19.735 -1.332 1.00 63.33 N ATOM 551 CA GLU A 35 11.728 -19.371 -1.684 1.00 74.25 C ATOM 552 C GLU A 35 11.654 -18.838 -3.127 1.00 5.35 C ATOM 553 O GLU A 35 10.840 -19.314 -3.921 1.00 13.21 O ATOM 554 CB GLU A 35 11.121 -18.335 -0.691 1.00 12.05 C ATOM 555 CG GLU A 35 10.849 -18.887 0.723 1.00 41.14 C ATOM 556 CD GLU A 35 9.941 -17.974 1.574 1.00 63.02 C ATOM 557 OE1 GLU A 35 8.768 -17.774 1.192 1.00 1.35 O ATOM 558 OE2 GLU A 35 10.390 -17.474 2.629 1.00 74.43 O ATOM 0 H GLU A 35 13.533 -19.138 -0.620 1.00 63.33 H new ATOM 0 HA GLU A 35 11.131 -20.280 -1.612 1.00 74.25 H new ATOM 0 HB2 GLU A 35 11.800 -17.486 -0.611 1.00 12.05 H new ATOM 0 HB3 GLU A 35 10.186 -17.958 -1.106 1.00 12.05 H new ATOM 0 HG2 GLU A 35 10.386 -19.870 0.638 1.00 41.14 H new ATOM 0 HG3 GLU A 35 11.799 -19.026 1.240 1.00 41.14 H new ATOM 565 N ARG A 36 12.556 -17.899 -3.483 1.00 10.05 N ATOM 566 CA ARG A 36 12.496 -17.165 -4.760 1.00 63.44 C ATOM 567 C ARG A 36 12.959 -18.027 -5.946 1.00 61.24 C ATOM 568 O ARG A 36 12.711 -17.676 -7.099 1.00 74.52 O ATOM 569 CB ARG A 36 13.363 -15.886 -4.685 1.00 73.42 C ATOM 570 CG ARG A 36 14.877 -16.152 -4.568 1.00 20.51 C ATOM 571 CD ARG A 36 15.713 -14.874 -4.669 1.00 43.03 C ATOM 572 NE ARG A 36 15.367 -14.101 -5.868 1.00 53.35 N ATOM 573 CZ ARG A 36 15.975 -14.163 -7.055 1.00 23.34 C ATOM 574 NH1 ARG A 36 17.003 -14.982 -7.265 1.00 71.55 N ATOM 575 NH2 ARG A 36 15.539 -13.386 -8.039 1.00 4.04 N ATOM 0 H ARG A 36 13.344 -17.631 -2.893 1.00 10.05 H new ATOM 0 HA ARG A 36 11.453 -16.897 -4.926 1.00 63.44 H new ATOM 0 HB2 ARG A 36 13.179 -15.284 -5.575 1.00 73.42 H new ATOM 0 HB3 ARG A 36 13.043 -15.294 -3.828 1.00 73.42 H new ATOM 0 HG2 ARG A 36 15.083 -16.641 -3.616 1.00 20.51 H new ATOM 0 HG3 ARG A 36 15.182 -16.843 -5.354 1.00 20.51 H new ATOM 0 HD2 ARG A 36 15.554 -14.262 -3.781 1.00 43.03 H new ATOM 0 HD3 ARG A 36 16.772 -15.131 -4.693 1.00 43.03 H new ATOM 0 HE ARG A 36 14.584 -13.452 -5.786 1.00 53.35 H new ATOM 0 HH11 ARG A 36 17.342 -15.579 -6.511 1.00 71.55 H new ATOM 0 HH12 ARG A 36 17.452 -15.012 -8.180 1.00 71.55 H new ATOM 0 HH21 ARG A 36 14.753 -12.756 -7.881 1.00 4.04 H new ATOM 0 HH22 ARG A 36 15.990 -13.419 -8.953 1.00 4.04 H new ATOM 589 N ASP A 37 13.667 -19.127 -5.653 1.00 35.43 N ATOM 590 CA ASP A 37 14.129 -20.068 -6.686 1.00 34.33 C ATOM 591 C ASP A 37 12.935 -20.764 -7.366 1.00 23.02 C ATOM 592 O ASP A 37 12.984 -21.071 -8.559 1.00 74.20 O ATOM 593 CB ASP A 37 15.095 -21.108 -6.063 1.00 40.23 C ATOM 594 CG ASP A 37 15.761 -22.013 -7.116 1.00 30.45 C ATOM 595 OD1 ASP A 37 16.659 -21.529 -7.840 1.00 65.35 O ATOM 596 OD2 ASP A 37 15.394 -23.201 -7.238 1.00 74.32 O ATOM 0 H ASP A 37 13.934 -19.389 -4.704 1.00 35.43 H new ATOM 0 HA ASP A 37 14.668 -19.509 -7.451 1.00 34.33 H new ATOM 0 HB2 ASP A 37 15.868 -20.586 -5.499 1.00 40.23 H new ATOM 0 HB3 ASP A 37 14.546 -21.727 -5.354 1.00 40.23 H new ATOM 601 N ASP A 38 11.860 -20.987 -6.590 1.00 24.54 N ATOM 602 CA ASP A 38 10.643 -21.679 -7.062 1.00 73.43 C ATOM 603 C ASP A 38 9.385 -20.787 -6.926 1.00 64.45 C ATOM 604 O ASP A 38 8.277 -21.237 -7.246 1.00 22.15 O ATOM 605 CB ASP A 38 10.485 -23.005 -6.257 1.00 51.41 C ATOM 606 CG ASP A 38 9.410 -23.961 -6.820 1.00 71.24 C ATOM 607 OD1 ASP A 38 9.697 -24.682 -7.801 1.00 22.25 O ATOM 608 OD2 ASP A 38 8.274 -24.002 -6.289 1.00 11.43 O ATOM 0 H ASP A 38 11.808 -20.692 -5.615 1.00 24.54 H new ATOM 0 HA ASP A 38 10.747 -21.902 -8.124 1.00 73.43 H new ATOM 0 HB2 ASP A 38 11.444 -23.523 -6.240 1.00 51.41 H new ATOM 0 HB3 ASP A 38 10.235 -22.763 -5.224 1.00 51.41 H new ATOM 613 N PHE A 39 9.547 -19.501 -6.512 1.00 63.50 N ATOM 614 CA PHE A 39 8.387 -18.638 -6.177 1.00 64.24 C ATOM 615 C PHE A 39 7.529 -18.333 -7.419 1.00 31.02 C ATOM 616 O PHE A 39 8.028 -18.318 -8.553 1.00 42.04 O ATOM 617 CB PHE A 39 8.809 -17.322 -5.431 1.00 35.21 C ATOM 618 CG PHE A 39 9.223 -16.095 -6.278 1.00 20.02 C ATOM 619 CD1 PHE A 39 10.090 -16.204 -7.368 1.00 44.11 C ATOM 620 CD2 PHE A 39 8.756 -14.819 -5.948 1.00 44.02 C ATOM 621 CE1 PHE A 39 10.470 -15.090 -8.096 1.00 12.44 C ATOM 622 CE2 PHE A 39 9.134 -13.708 -6.681 1.00 34.34 C ATOM 623 CZ PHE A 39 9.989 -13.844 -7.755 1.00 3.31 C ATOM 0 H PHE A 39 10.454 -19.048 -6.404 1.00 63.50 H new ATOM 0 HA PHE A 39 7.770 -19.206 -5.480 1.00 64.24 H new ATOM 0 HB2 PHE A 39 7.977 -17.020 -4.794 1.00 35.21 H new ATOM 0 HB3 PHE A 39 9.642 -17.567 -4.772 1.00 35.21 H new ATOM 0 HD1 PHE A 39 10.471 -17.175 -7.648 1.00 44.11 H new ATOM 0 HD2 PHE A 39 8.089 -14.699 -5.107 1.00 44.02 H new ATOM 0 HE1 PHE A 39 11.145 -15.197 -8.933 1.00 12.44 H new ATOM 0 HE2 PHE A 39 8.759 -12.732 -6.412 1.00 34.34 H new ATOM 0 HZ PHE A 39 10.281 -12.976 -8.328 1.00 3.31 H new ATOM 633 N ASP A 40 6.241 -18.119 -7.175 1.00 34.20 N ATOM 634 CA ASP A 40 5.282 -17.676 -8.192 1.00 31.42 C ATOM 635 C ASP A 40 5.481 -16.156 -8.401 1.00 71.12 C ATOM 636 O ASP A 40 6.193 -15.526 -7.612 1.00 44.02 O ATOM 637 CB ASP A 40 3.836 -18.028 -7.729 1.00 60.43 C ATOM 638 CG ASP A 40 2.776 -17.844 -8.833 1.00 11.12 C ATOM 639 OD1 ASP A 40 2.235 -16.725 -8.987 1.00 74.00 O ATOM 640 OD2 ASP A 40 2.487 -18.815 -9.562 1.00 1.51 O ATOM 0 H ASP A 40 5.823 -18.249 -6.254 1.00 34.20 H new ATOM 0 HA ASP A 40 5.444 -18.182 -9.144 1.00 31.42 H new ATOM 0 HB2 ASP A 40 3.815 -19.062 -7.384 1.00 60.43 H new ATOM 0 HB3 ASP A 40 3.573 -17.402 -6.876 1.00 60.43 H new ATOM 645 N GLY A 41 4.892 -15.584 -9.475 1.00 45.33 N ATOM 646 CA GLY A 41 4.986 -14.133 -9.785 1.00 52.10 C ATOM 647 C GLY A 41 4.659 -13.199 -8.604 1.00 11.22 C ATOM 648 O GLY A 41 4.247 -13.670 -7.541 1.00 25.12 O ATOM 0 H GLY A 41 4.339 -16.110 -10.151 1.00 45.33 H new ATOM 0 HA2 GLY A 41 5.995 -13.915 -10.134 1.00 52.10 H new ATOM 0 HA3 GLY A 41 4.308 -13.907 -10.608 1.00 52.10 H new ATOM 652 N LEU A 42 4.827 -11.874 -8.817 1.00 43.33 N ATOM 653 CA LEU A 42 4.731 -10.839 -7.754 1.00 42.41 C ATOM 654 C LEU A 42 3.437 -11.027 -6.929 1.00 71.31 C ATOM 655 O LEU A 42 2.339 -10.715 -7.406 1.00 71.35 O ATOM 656 CB LEU A 42 4.814 -9.407 -8.388 1.00 20.33 C ATOM 657 CG LEU A 42 5.252 -8.221 -7.450 1.00 62.23 C ATOM 658 CD1 LEU A 42 4.201 -7.858 -6.366 1.00 64.04 C ATOM 659 CD2 LEU A 42 6.629 -8.510 -6.814 1.00 64.30 C ATOM 0 H LEU A 42 5.035 -11.487 -9.737 1.00 43.33 H new ATOM 0 HA LEU A 42 5.572 -10.950 -7.069 1.00 42.41 H new ATOM 0 HB2 LEU A 42 5.512 -9.449 -9.224 1.00 20.33 H new ATOM 0 HB3 LEU A 42 3.835 -9.165 -8.801 1.00 20.33 H new ATOM 0 HG LEU A 42 5.331 -7.342 -8.090 1.00 62.23 H new ATOM 0 HD11 LEU A 42 4.574 -7.033 -5.759 1.00 64.04 H new ATOM 0 HD12 LEU A 42 3.269 -7.562 -6.848 1.00 64.04 H new ATOM 0 HD13 LEU A 42 4.021 -8.724 -5.729 1.00 64.04 H new ATOM 0 HD21 LEU A 42 6.914 -7.678 -6.169 1.00 64.30 H new ATOM 0 HD22 LEU A 42 6.572 -9.424 -6.223 1.00 64.30 H new ATOM 0 HD23 LEU A 42 7.374 -8.632 -7.600 1.00 64.30 H new ATOM 671 N SER A 43 3.605 -11.592 -5.718 1.00 72.42 N ATOM 672 CA SER A 43 2.500 -11.956 -4.836 1.00 1.20 C ATOM 673 C SER A 43 1.715 -10.730 -4.361 1.00 53.15 C ATOM 674 O SER A 43 2.263 -9.834 -3.702 1.00 31.02 O ATOM 675 CB SER A 43 3.048 -12.742 -3.627 1.00 24.13 C ATOM 676 OG SER A 43 3.704 -13.929 -4.052 1.00 14.33 O ATOM 0 H SER A 43 4.523 -11.807 -5.329 1.00 72.42 H new ATOM 0 HA SER A 43 1.808 -12.580 -5.401 1.00 1.20 H new ATOM 0 HB2 SER A 43 3.744 -12.117 -3.067 1.00 24.13 H new ATOM 0 HB3 SER A 43 2.231 -12.995 -2.951 1.00 24.13 H new ATOM 0 HG SER A 43 4.046 -14.412 -3.271 1.00 14.33 H new ATOM 682 N TYR A 44 0.435 -10.702 -4.742 1.00 43.24 N ATOM 683 CA TYR A 44 -0.546 -9.763 -4.205 1.00 43.35 C ATOM 684 C TYR A 44 -1.952 -10.379 -4.290 1.00 14.42 C ATOM 685 O TYR A 44 -2.104 -11.546 -4.675 1.00 30.31 O ATOM 686 CB TYR A 44 -0.425 -8.369 -4.909 1.00 5.21 C ATOM 687 CG TYR A 44 -0.970 -8.228 -6.341 1.00 73.22 C ATOM 688 CD1 TYR A 44 -0.380 -8.885 -7.422 1.00 41.20 C ATOM 689 CD2 TYR A 44 -2.061 -7.391 -6.608 1.00 30.42 C ATOM 690 CE1 TYR A 44 -0.863 -8.718 -8.708 1.00 14.10 C ATOM 691 CE2 TYR A 44 -2.538 -7.217 -7.887 1.00 22.20 C ATOM 692 CZ TYR A 44 -1.939 -7.881 -8.930 1.00 75.14 C ATOM 693 OH TYR A 44 -2.409 -7.695 -10.209 1.00 30.31 O ATOM 0 H TYR A 44 0.049 -11.339 -5.440 1.00 43.24 H new ATOM 0 HA TYR A 44 -0.346 -9.577 -3.150 1.00 43.35 H new ATOM 0 HB2 TYR A 44 -0.935 -7.635 -4.285 1.00 5.21 H new ATOM 0 HB3 TYR A 44 0.630 -8.095 -4.926 1.00 5.21 H new ATOM 0 HD1 TYR A 44 0.467 -9.534 -7.252 1.00 41.20 H new ATOM 0 HD2 TYR A 44 -2.539 -6.870 -5.791 1.00 30.42 H new ATOM 0 HE1 TYR A 44 -0.401 -9.239 -9.533 1.00 14.10 H new ATOM 0 HE2 TYR A 44 -3.378 -6.563 -8.070 1.00 22.20 H new ATOM 0 HH TYR A 44 -3.369 -7.499 -10.180 1.00 30.31 H new ATOM 703 N PHE A 45 -2.967 -9.605 -3.904 1.00 44.13 N ATOM 704 CA PHE A 45 -4.368 -10.079 -3.873 1.00 73.23 C ATOM 705 C PHE A 45 -4.971 -10.066 -5.296 1.00 75.32 C ATOM 706 O PHE A 45 -4.404 -9.452 -6.209 1.00 43.25 O ATOM 707 CB PHE A 45 -5.203 -9.200 -2.914 1.00 3.22 C ATOM 708 CG PHE A 45 -4.812 -9.308 -1.442 1.00 45.04 C ATOM 709 CD1 PHE A 45 -3.826 -8.485 -0.895 1.00 23.41 C ATOM 710 CD2 PHE A 45 -5.439 -10.232 -0.601 1.00 33.33 C ATOM 711 CE1 PHE A 45 -3.478 -8.582 0.438 1.00 51.23 C ATOM 712 CE2 PHE A 45 -5.091 -10.325 0.733 1.00 4.14 C ATOM 713 CZ PHE A 45 -4.111 -9.501 1.252 1.00 35.10 C ATOM 0 H PHE A 45 -2.852 -8.637 -3.604 1.00 44.13 H new ATOM 0 HA PHE A 45 -4.387 -11.105 -3.506 1.00 73.23 H new ATOM 0 HB2 PHE A 45 -5.111 -8.159 -3.224 1.00 3.22 H new ATOM 0 HB3 PHE A 45 -6.254 -9.471 -3.017 1.00 3.22 H new ATOM 0 HD1 PHE A 45 -3.328 -7.762 -1.524 1.00 23.41 H new ATOM 0 HD2 PHE A 45 -6.205 -10.881 -0.999 1.00 33.33 H new ATOM 0 HE1 PHE A 45 -2.711 -7.939 0.844 1.00 51.23 H new ATOM 0 HE2 PHE A 45 -5.586 -11.043 1.371 1.00 4.14 H new ATOM 0 HZ PHE A 45 -3.840 -9.575 2.295 1.00 35.10 H new ATOM 723 N ASP A 46 -6.115 -10.754 -5.491 1.00 73.23 N ATOM 724 CA ASP A 46 -6.821 -10.758 -6.790 1.00 62.21 C ATOM 725 C ASP A 46 -7.638 -9.459 -6.935 1.00 31.43 C ATOM 726 O ASP A 46 -8.458 -9.156 -6.062 1.00 1.52 O ATOM 727 CB ASP A 46 -7.755 -11.987 -6.917 1.00 21.24 C ATOM 728 CG ASP A 46 -8.540 -12.051 -8.247 1.00 44.41 C ATOM 729 OD1 ASP A 46 -7.994 -12.545 -9.258 1.00 11.02 O ATOM 730 OD2 ASP A 46 -9.711 -11.619 -8.288 1.00 60.04 O ATOM 0 H ASP A 46 -6.569 -11.312 -4.768 1.00 73.23 H new ATOM 0 HA ASP A 46 -6.078 -10.817 -7.586 1.00 62.21 H new ATOM 0 HB2 ASP A 46 -7.159 -12.894 -6.816 1.00 21.24 H new ATOM 0 HB3 ASP A 46 -8.464 -11.977 -6.089 1.00 21.24 H new ATOM 735 N PRO A 47 -7.427 -8.679 -8.040 1.00 42.12 N ATOM 736 CA PRO A 47 -8.107 -7.377 -8.262 1.00 51.21 C ATOM 737 C PRO A 47 -9.635 -7.512 -8.459 1.00 62.34 C ATOM 738 O PRO A 47 -10.092 -8.009 -9.488 1.00 31.11 O ATOM 739 CB PRO A 47 -7.417 -6.843 -9.544 1.00 61.43 C ATOM 740 CG PRO A 47 -6.909 -8.065 -10.248 1.00 55.54 C ATOM 741 CD PRO A 47 -6.489 -9.007 -9.156 1.00 24.25 C ATOM 0 HA PRO A 47 -8.016 -6.714 -7.401 1.00 51.21 H new ATOM 0 HB2 PRO A 47 -8.119 -6.290 -10.169 1.00 61.43 H new ATOM 0 HB3 PRO A 47 -6.603 -6.161 -9.299 1.00 61.43 H new ATOM 0 HG2 PRO A 47 -7.683 -8.509 -10.874 1.00 55.54 H new ATOM 0 HG3 PRO A 47 -6.071 -7.822 -10.902 1.00 55.54 H new ATOM 0 HD2 PRO A 47 -6.580 -10.048 -9.466 1.00 24.25 H new ATOM 0 HD3 PRO A 47 -5.450 -8.850 -8.867 1.00 24.25 H new ATOM 749 N ASP A 48 -10.420 -7.065 -7.458 1.00 25.31 N ATOM 750 CA ASP A 48 -11.895 -7.082 -7.519 1.00 42.32 C ATOM 751 C ASP A 48 -12.412 -5.619 -7.508 1.00 64.14 C ATOM 752 O ASP A 48 -12.094 -4.864 -6.579 1.00 14.12 O ATOM 753 CB ASP A 48 -12.475 -7.892 -6.329 1.00 63.25 C ATOM 754 CG ASP A 48 -13.994 -8.132 -6.409 1.00 22.23 C ATOM 755 OD1 ASP A 48 -14.778 -7.185 -6.193 1.00 13.41 O ATOM 756 OD2 ASP A 48 -14.415 -9.280 -6.685 1.00 74.15 O ATOM 0 H ASP A 48 -10.050 -6.683 -6.587 1.00 25.31 H new ATOM 0 HA ASP A 48 -12.224 -7.569 -8.437 1.00 42.32 H new ATOM 0 HB2 ASP A 48 -11.968 -8.856 -6.279 1.00 63.25 H new ATOM 0 HB3 ASP A 48 -12.250 -7.365 -5.402 1.00 63.25 H new ATOM 761 N PRO A 49 -13.229 -5.210 -8.533 1.00 4.34 N ATOM 762 CA PRO A 49 -13.697 -3.807 -8.694 1.00 11.02 C ATOM 763 C PRO A 49 -14.726 -3.368 -7.626 1.00 5.20 C ATOM 764 O PRO A 49 -14.825 -2.176 -7.313 1.00 42.45 O ATOM 765 CB PRO A 49 -14.326 -3.813 -10.111 1.00 64.23 C ATOM 766 CG PRO A 49 -14.803 -5.224 -10.295 1.00 33.24 C ATOM 767 CD PRO A 49 -13.757 -6.086 -9.624 1.00 23.24 C ATOM 0 HA PRO A 49 -12.883 -3.093 -8.570 1.00 11.02 H new ATOM 0 HB2 PRO A 49 -15.148 -3.102 -10.185 1.00 64.23 H new ATOM 0 HB3 PRO A 49 -13.596 -3.537 -10.872 1.00 64.23 H new ATOM 0 HG2 PRO A 49 -15.784 -5.370 -9.842 1.00 33.24 H new ATOM 0 HG3 PRO A 49 -14.899 -5.473 -11.352 1.00 33.24 H new ATOM 0 HD2 PRO A 49 -14.189 -7.005 -9.227 1.00 23.24 H new ATOM 0 HD3 PRO A 49 -12.971 -6.378 -10.320 1.00 23.24 H new ATOM 775 N ASP A 50 -15.502 -4.333 -7.095 1.00 40.32 N ATOM 776 CA ASP A 50 -16.559 -4.066 -6.089 1.00 31.13 C ATOM 777 C ASP A 50 -15.968 -3.963 -4.682 1.00 2.30 C ATOM 778 O ASP A 50 -16.563 -3.341 -3.798 1.00 31.31 O ATOM 779 CB ASP A 50 -17.634 -5.180 -6.097 1.00 51.20 C ATOM 780 CG ASP A 50 -18.287 -5.371 -7.467 1.00 71.54 C ATOM 781 OD1 ASP A 50 -17.715 -6.097 -8.297 1.00 3.21 O ATOM 782 OD2 ASP A 50 -19.358 -4.790 -7.727 1.00 13.22 O ATOM 0 H ASP A 50 -15.418 -5.318 -7.348 1.00 40.32 H new ATOM 0 HA ASP A 50 -17.021 -3.116 -6.359 1.00 31.13 H new ATOM 0 HB2 ASP A 50 -17.178 -6.119 -5.784 1.00 51.20 H new ATOM 0 HB3 ASP A 50 -18.404 -4.939 -5.364 1.00 51.20 H new ATOM 787 N TYR A 51 -14.791 -4.581 -4.493 1.00 14.10 N ATOM 788 CA TYR A 51 -14.092 -4.610 -3.194 1.00 22.31 C ATOM 789 C TYR A 51 -13.331 -3.276 -3.003 1.00 63.20 C ATOM 790 O TYR A 51 -13.014 -2.859 -1.884 1.00 20.32 O ATOM 791 CB TYR A 51 -13.120 -5.827 -3.160 1.00 22.22 C ATOM 792 CG TYR A 51 -12.982 -6.488 -1.785 1.00 1.43 C ATOM 793 CD1 TYR A 51 -12.359 -5.832 -0.716 1.00 64.23 C ATOM 794 CD2 TYR A 51 -13.499 -7.765 -1.552 1.00 53.31 C ATOM 795 CE1 TYR A 51 -12.260 -6.427 0.524 1.00 3.10 C ATOM 796 CE2 TYR A 51 -13.403 -8.358 -0.316 1.00 4.21 C ATOM 797 CZ TYR A 51 -12.787 -7.691 0.715 1.00 14.12 C ATOM 798 OH TYR A 51 -12.699 -8.295 1.943 1.00 2.45 O ATOM 0 H TYR A 51 -14.296 -5.075 -5.235 1.00 14.10 H new ATOM 0 HA TYR A 51 -14.805 -4.722 -2.377 1.00 22.31 H new ATOM 0 HB2 TYR A 51 -13.466 -6.573 -3.875 1.00 22.22 H new ATOM 0 HB3 TYR A 51 -12.135 -5.499 -3.493 1.00 22.22 H new ATOM 0 HD1 TYR A 51 -11.949 -4.844 -0.865 1.00 64.23 H new ATOM 0 HD2 TYR A 51 -13.983 -8.296 -2.358 1.00 53.31 H new ATOM 0 HE1 TYR A 51 -11.775 -5.910 1.339 1.00 3.10 H new ATOM 0 HE2 TYR A 51 -13.811 -9.345 -0.156 1.00 4.21 H new ATOM 0 HH TYR A 51 -13.314 -9.057 1.978 1.00 2.45 H new ATOM 808 N ARG A 52 -13.044 -2.648 -4.147 1.00 73.33 N ATOM 809 CA ARG A 52 -12.510 -1.291 -4.261 1.00 64.14 C ATOM 810 C ARG A 52 -13.543 -0.263 -3.729 1.00 72.02 C ATOM 811 O ARG A 52 -14.708 -0.282 -4.142 1.00 4.04 O ATOM 812 CB ARG A 52 -12.216 -1.050 -5.764 1.00 25.32 C ATOM 813 CG ARG A 52 -11.734 0.357 -6.138 1.00 73.53 C ATOM 814 CD ARG A 52 -11.666 0.554 -7.665 1.00 22.20 C ATOM 815 NE ARG A 52 -13.000 0.479 -8.288 1.00 34.34 N ATOM 816 CZ ARG A 52 -13.291 0.863 -9.541 1.00 71.43 C ATOM 817 NH1 ARG A 52 -12.353 1.353 -10.346 1.00 70.41 N ATOM 818 NH2 ARG A 52 -14.540 0.785 -9.974 1.00 22.41 N ATOM 0 H ARG A 52 -13.184 -3.091 -5.055 1.00 73.33 H new ATOM 0 HA ARG A 52 -11.602 -1.173 -3.669 1.00 64.14 H new ATOM 0 HB2 ARG A 52 -11.462 -1.768 -6.086 1.00 25.32 H new ATOM 0 HB3 ARG A 52 -13.123 -1.264 -6.330 1.00 25.32 H new ATOM 0 HG2 ARG A 52 -12.407 1.098 -5.706 1.00 73.53 H new ATOM 0 HG3 ARG A 52 -10.749 0.530 -5.705 1.00 73.53 H new ATOM 0 HD2 ARG A 52 -11.215 1.521 -7.887 1.00 22.20 H new ATOM 0 HD3 ARG A 52 -11.018 -0.207 -8.101 1.00 22.20 H new ATOM 0 HE ARG A 52 -13.762 0.106 -7.722 1.00 34.34 H new ATOM 0 HH11 ARG A 52 -11.392 1.443 -10.015 1.00 70.41 H new ATOM 0 HH12 ARG A 52 -12.594 1.639 -11.295 1.00 70.41 H new ATOM 0 HH21 ARG A 52 -15.273 0.435 -9.357 1.00 22.41 H new ATOM 0 HH22 ARG A 52 -14.769 1.075 -10.925 1.00 22.41 H new ATOM 832 N VAL A 53 -13.103 0.629 -2.822 1.00 41.13 N ATOM 833 CA VAL A 53 -13.970 1.653 -2.188 1.00 4.03 C ATOM 834 C VAL A 53 -13.456 3.062 -2.551 1.00 70.11 C ATOM 835 O VAL A 53 -12.331 3.209 -3.034 1.00 42.51 O ATOM 836 CB VAL A 53 -14.014 1.484 -0.615 1.00 63.34 C ATOM 837 CG1 VAL A 53 -14.526 0.077 -0.212 1.00 15.23 C ATOM 838 CG2 VAL A 53 -12.640 1.786 0.037 1.00 2.31 C ATOM 0 H VAL A 53 -12.134 0.664 -2.504 1.00 41.13 H new ATOM 0 HA VAL A 53 -14.984 1.520 -2.566 1.00 4.03 H new ATOM 0 HB VAL A 53 -14.723 2.220 -0.234 1.00 63.34 H new ATOM 0 HG11 VAL A 53 -14.544 -0.006 0.875 1.00 15.23 H new ATOM 0 HG12 VAL A 53 -15.532 -0.070 -0.604 1.00 15.23 H new ATOM 0 HG13 VAL A 53 -13.862 -0.683 -0.623 1.00 15.23 H new ATOM 0 HG21 VAL A 53 -12.714 1.658 1.117 1.00 2.31 H new ATOM 0 HG22 VAL A 53 -11.891 1.100 -0.359 1.00 2.31 H new ATOM 0 HG23 VAL A 53 -12.348 2.812 -0.188 1.00 2.31 H new ATOM 848 N GLU A 54 -14.286 4.092 -2.327 1.00 54.55 N ATOM 849 CA GLU A 54 -13.877 5.508 -2.484 1.00 51.53 C ATOM 850 C GLU A 54 -13.574 6.114 -1.102 1.00 24.21 C ATOM 851 O GLU A 54 -14.149 5.679 -0.101 1.00 11.21 O ATOM 852 CB GLU A 54 -14.985 6.319 -3.211 1.00 63.50 C ATOM 853 CG GLU A 54 -16.364 6.321 -2.514 1.00 73.31 C ATOM 854 CD GLU A 54 -17.390 7.236 -3.206 1.00 13.32 C ATOM 855 OE1 GLU A 54 -17.917 6.858 -4.271 1.00 42.01 O ATOM 856 OE2 GLU A 54 -17.658 8.346 -2.698 1.00 4.42 O ATOM 0 H GLU A 54 -15.256 3.975 -2.033 1.00 54.55 H new ATOM 0 HA GLU A 54 -12.975 5.553 -3.094 1.00 51.53 H new ATOM 0 HB2 GLU A 54 -14.648 7.350 -3.317 1.00 63.50 H new ATOM 0 HB3 GLU A 54 -15.105 5.918 -4.217 1.00 63.50 H new ATOM 0 HG2 GLU A 54 -16.753 5.303 -2.489 1.00 73.31 H new ATOM 0 HG3 GLU A 54 -16.241 6.641 -1.479 1.00 73.31 H new ATOM 863 N ALA A 55 -12.682 7.124 -1.056 1.00 0.22 N ATOM 864 CA ALA A 55 -12.233 7.755 0.204 1.00 45.33 C ATOM 865 C ALA A 55 -11.994 9.260 0.019 1.00 43.53 C ATOM 866 O ALA A 55 -11.563 9.702 -1.048 1.00 43.10 O ATOM 867 CB ALA A 55 -10.951 7.071 0.710 1.00 32.14 C ATOM 0 H ALA A 55 -12.252 7.526 -1.889 1.00 0.22 H new ATOM 0 HA ALA A 55 -13.022 7.629 0.945 1.00 45.33 H new ATOM 0 HB1 ALA A 55 -10.629 7.543 1.638 1.00 32.14 H new ATOM 0 HB2 ALA A 55 -11.149 6.014 0.890 1.00 32.14 H new ATOM 0 HB3 ALA A 55 -10.166 7.170 -0.039 1.00 32.14 H new ATOM 873 N THR A 56 -12.290 10.032 1.074 1.00 61.41 N ATOM 874 CA THR A 56 -12.049 11.473 1.135 1.00 13.14 C ATOM 875 C THR A 56 -10.706 11.736 1.847 1.00 53.20 C ATOM 876 O THR A 56 -10.513 11.322 2.994 1.00 11.25 O ATOM 877 CB THR A 56 -13.213 12.185 1.900 1.00 42.05 C ATOM 878 OG1 THR A 56 -14.475 11.795 1.328 1.00 23.11 O ATOM 879 CG2 THR A 56 -13.083 13.721 1.858 1.00 60.03 C ATOM 0 H THR A 56 -12.712 9.660 1.925 1.00 61.41 H new ATOM 0 HA THR A 56 -12.006 11.874 0.122 1.00 13.14 H new ATOM 0 HB THR A 56 -13.158 11.877 2.944 1.00 42.05 H new ATOM 0 HG1 THR A 56 -15.204 12.240 1.809 1.00 23.11 H new ATOM 0 HG21 THR A 56 -13.913 14.171 2.402 1.00 60.03 H new ATOM 0 HG22 THR A 56 -12.142 14.019 2.320 1.00 60.03 H new ATOM 0 HG23 THR A 56 -13.102 14.060 0.822 1.00 60.03 H new ATOM 887 N VAL A 57 -9.799 12.432 1.152 1.00 2.22 N ATOM 888 CA VAL A 57 -8.446 12.746 1.634 1.00 62.22 C ATOM 889 C VAL A 57 -8.491 13.854 2.699 1.00 71.33 C ATOM 890 O VAL A 57 -9.236 14.824 2.560 1.00 44.24 O ATOM 891 CB VAL A 57 -7.530 13.239 0.448 1.00 31.41 C ATOM 892 CG1 VAL A 57 -6.057 13.372 0.892 1.00 51.53 C ATOM 893 CG2 VAL A 57 -7.659 12.322 -0.780 1.00 24.52 C ATOM 0 H VAL A 57 -9.987 12.801 0.220 1.00 2.22 H new ATOM 0 HA VAL A 57 -8.035 11.833 2.065 1.00 62.22 H new ATOM 0 HB VAL A 57 -7.879 14.230 0.158 1.00 31.41 H new ATOM 0 HG11 VAL A 57 -5.453 13.713 0.051 1.00 51.53 H new ATOM 0 HG12 VAL A 57 -5.986 14.093 1.706 1.00 51.53 H new ATOM 0 HG13 VAL A 57 -5.691 12.403 1.232 1.00 51.53 H new ATOM 0 HG21 VAL A 57 -7.015 12.690 -1.578 1.00 24.52 H new ATOM 0 HG22 VAL A 57 -7.360 11.309 -0.511 1.00 24.52 H new ATOM 0 HG23 VAL A 57 -8.694 12.316 -1.122 1.00 24.52 H new ATOM 903 N THR A 58 -7.676 13.701 3.747 1.00 5.51 N ATOM 904 CA THR A 58 -7.511 14.697 4.807 1.00 11.32 C ATOM 905 C THR A 58 -6.009 15.001 4.933 1.00 5.13 C ATOM 906 O THR A 58 -5.272 14.243 5.564 1.00 22.42 O ATOM 907 CB THR A 58 -8.095 14.168 6.164 1.00 41.13 C ATOM 908 OG1 THR A 58 -9.470 13.786 5.977 1.00 50.44 O ATOM 909 CG2 THR A 58 -8.007 15.214 7.288 1.00 75.43 C ATOM 0 H THR A 58 -7.104 12.868 3.884 1.00 5.51 H new ATOM 0 HA THR A 58 -8.057 15.607 4.560 1.00 11.32 H new ATOM 0 HB THR A 58 -7.495 13.310 6.465 1.00 41.13 H new ATOM 0 HG1 THR A 58 -9.835 13.454 6.824 1.00 50.44 H new ATOM 0 HG21 THR A 58 -8.424 14.798 8.205 1.00 75.43 H new ATOM 0 HG22 THR A 58 -6.964 15.484 7.453 1.00 75.43 H new ATOM 0 HG23 THR A 58 -8.571 16.102 7.003 1.00 75.43 H new ATOM 917 N VAL A 59 -5.551 16.090 4.292 1.00 21.23 N ATOM 918 CA VAL A 59 -4.115 16.427 4.218 1.00 2.33 C ATOM 919 C VAL A 59 -3.719 17.286 5.421 1.00 72.35 C ATOM 920 O VAL A 59 -4.423 18.238 5.764 1.00 5.53 O ATOM 921 CB VAL A 59 -3.747 17.143 2.861 1.00 71.31 C ATOM 922 CG1 VAL A 59 -2.314 17.745 2.867 1.00 31.41 C ATOM 923 CG2 VAL A 59 -3.900 16.150 1.693 1.00 74.33 C ATOM 0 H VAL A 59 -6.157 16.757 3.814 1.00 21.23 H new ATOM 0 HA VAL A 59 -3.547 15.497 4.246 1.00 2.33 H new ATOM 0 HB VAL A 59 -4.438 17.977 2.737 1.00 71.31 H new ATOM 0 HG11 VAL A 59 -2.117 18.224 1.908 1.00 31.41 H new ATOM 0 HG12 VAL A 59 -2.233 18.483 3.665 1.00 31.41 H new ATOM 0 HG13 VAL A 59 -1.586 16.950 3.032 1.00 31.41 H new ATOM 0 HG21 VAL A 59 -3.645 16.647 0.757 1.00 74.33 H new ATOM 0 HG22 VAL A 59 -3.233 15.302 1.847 1.00 74.33 H new ATOM 0 HG23 VAL A 59 -4.930 15.797 1.648 1.00 74.33 H new ATOM 933 N HIS A 60 -2.593 16.926 6.055 1.00 72.33 N ATOM 934 CA HIS A 60 -2.114 17.561 7.285 1.00 52.21 C ATOM 935 C HIS A 60 -1.013 18.569 6.967 1.00 11.12 C ATOM 936 O HIS A 60 -0.035 18.240 6.283 1.00 3.02 O ATOM 937 CB HIS A 60 -1.610 16.481 8.271 1.00 50.00 C ATOM 938 CG HIS A 60 -2.693 15.500 8.619 1.00 33.41 C ATOM 939 ND1 HIS A 60 -3.705 15.577 9.514 1.00 54.43 N flip ATOM 940 CD2 HIS A 60 -2.900 14.333 7.920 1.00 15.02 C flip ATOM 941 CE1 HIS A 60 -4.488 14.477 9.334 1.00 13.11 C flip ATOM 942 NE2 HIS A 60 -3.982 13.744 8.374 1.00 4.25 N flip ATOM 0 H HIS A 60 -1.985 16.178 5.722 1.00 72.33 H new ATOM 0 HA HIS A 60 -2.937 18.100 7.754 1.00 52.21 H new ATOM 0 HB2 HIS A 60 -0.766 15.951 7.830 1.00 50.00 H new ATOM 0 HB3 HIS A 60 -1.246 16.959 9.180 1.00 50.00 H new ATOM 0 HD1 HIS A 60 -3.854 16.320 10.196 1.00 54.43 H new ATOM 0 HD2 HIS A 60 -2.272 13.961 7.124 1.00 15.02 H new ATOM 0 HE1 HIS A 60 -5.383 14.246 9.893 1.00 13.11 H new ATOM 951 N GLU A 61 -1.196 19.795 7.482 1.00 4.25 N ATOM 952 CA GLU A 61 -0.212 20.879 7.350 1.00 30.40 C ATOM 953 C GLU A 61 0.901 20.720 8.402 1.00 21.14 C ATOM 954 O GLU A 61 1.927 21.397 8.322 1.00 1.21 O ATOM 955 CB GLU A 61 -0.896 22.268 7.464 1.00 71.10 C ATOM 956 CG GLU A 61 -1.630 22.525 8.797 1.00 62.42 C ATOM 957 CD GLU A 61 -2.163 23.959 8.899 1.00 53.43 C ATOM 958 OE1 GLU A 61 -3.293 24.229 8.437 1.00 64.44 O ATOM 959 OE2 GLU A 61 -1.437 24.836 9.407 1.00 33.20 O ATOM 0 H GLU A 61 -2.032 20.062 8.002 1.00 4.25 H new ATOM 0 HA GLU A 61 0.241 20.816 6.360 1.00 30.40 H new ATOM 0 HB2 GLU A 61 -0.140 23.041 7.328 1.00 71.10 H new ATOM 0 HB3 GLU A 61 -1.610 22.373 6.647 1.00 71.10 H new ATOM 0 HG2 GLU A 61 -2.459 21.824 8.894 1.00 62.42 H new ATOM 0 HG3 GLU A 61 -0.950 22.332 9.627 1.00 62.42 H new ATOM 966 N THR A 62 0.679 19.821 9.394 1.00 41.32 N ATOM 967 CA THR A 62 1.673 19.449 10.411 1.00 23.40 C ATOM 968 C THR A 62 1.859 17.903 10.399 1.00 44.02 C ATOM 969 O THR A 62 1.175 17.181 11.138 1.00 34.02 O ATOM 970 CB THR A 62 1.223 19.955 11.828 1.00 53.54 C ATOM 971 OG1 THR A 62 -0.119 19.525 12.095 1.00 31.53 O ATOM 972 CG2 THR A 62 1.291 21.491 11.948 1.00 72.03 C ATOM 0 H THR A 62 -0.210 19.333 9.504 1.00 41.32 H new ATOM 0 HA THR A 62 2.628 19.922 10.181 1.00 23.40 H new ATOM 0 HB THR A 62 1.913 19.528 12.556 1.00 53.54 H new ATOM 0 HG1 THR A 62 -0.199 18.567 11.907 1.00 31.53 H new ATOM 0 HG21 THR A 62 0.970 21.793 12.945 1.00 72.03 H new ATOM 0 HG22 THR A 62 2.315 21.824 11.780 1.00 72.03 H new ATOM 0 HG23 THR A 62 0.636 21.943 11.204 1.00 72.03 H new ATOM 980 N PRO A 63 2.754 17.366 9.505 1.00 13.51 N ATOM 981 CA PRO A 63 2.980 15.905 9.373 1.00 12.43 C ATOM 982 C PRO A 63 3.924 15.345 10.468 1.00 35.31 C ATOM 983 O PRO A 63 4.977 15.932 10.752 1.00 0.21 O ATOM 984 CB PRO A 63 3.609 15.795 7.967 1.00 3.04 C ATOM 985 CG PRO A 63 4.368 17.072 7.777 1.00 21.45 C ATOM 986 CD PRO A 63 3.606 18.138 8.549 1.00 11.31 C ATOM 0 HA PRO A 63 2.067 15.322 9.495 1.00 12.43 H new ATOM 0 HB2 PRO A 63 4.269 14.930 7.897 1.00 3.04 H new ATOM 0 HB3 PRO A 63 2.843 15.674 7.201 1.00 3.04 H new ATOM 0 HG2 PRO A 63 5.388 16.977 8.148 1.00 21.45 H new ATOM 0 HG3 PRO A 63 4.436 17.331 6.720 1.00 21.45 H new ATOM 0 HD2 PRO A 63 4.285 18.810 9.075 1.00 11.31 H new ATOM 0 HD3 PRO A 63 3.000 18.753 7.884 1.00 11.31 H new ATOM 994 N GLU A 64 3.533 14.211 11.084 1.00 11.53 N ATOM 995 CA GLU A 64 4.343 13.537 12.124 1.00 23.35 C ATOM 996 C GLU A 64 5.396 12.611 11.489 1.00 33.51 C ATOM 997 O GLU A 64 5.272 12.224 10.317 1.00 45.41 O ATOM 998 CB GLU A 64 3.418 12.739 13.088 1.00 63.03 C ATOM 999 CG GLU A 64 2.684 11.544 12.441 1.00 20.44 C ATOM 1000 CD GLU A 64 1.646 10.899 13.368 1.00 51.10 C ATOM 1001 OE1 GLU A 64 2.022 10.049 14.203 1.00 21.23 O ATOM 1002 OE2 GLU A 64 0.449 11.255 13.274 1.00 23.50 O ATOM 0 H GLU A 64 2.653 13.738 10.878 1.00 11.53 H new ATOM 0 HA GLU A 64 4.872 14.299 12.697 1.00 23.35 H new ATOM 0 HB2 GLU A 64 4.016 12.371 13.922 1.00 63.03 H new ATOM 0 HB3 GLU A 64 2.676 13.421 13.504 1.00 63.03 H new ATOM 0 HG2 GLU A 64 2.189 11.880 11.530 1.00 20.44 H new ATOM 0 HG3 GLU A 64 3.416 10.792 12.147 1.00 20.44 H new ATOM 1009 N SER A 65 6.417 12.257 12.284 1.00 1.40 N ATOM 1010 CA SER A 65 7.528 11.406 11.850 1.00 30.05 C ATOM 1011 C SER A 65 7.197 9.926 12.132 1.00 35.21 C ATOM 1012 O SER A 65 7.150 9.502 13.289 1.00 43.41 O ATOM 1013 CB SER A 65 8.823 11.855 12.580 1.00 72.35 C ATOM 1014 OG SER A 65 8.636 11.955 13.985 1.00 23.50 O ATOM 0 H SER A 65 6.492 12.558 13.256 1.00 1.40 H new ATOM 0 HA SER A 65 7.685 11.507 10.776 1.00 30.05 H new ATOM 0 HB2 SER A 65 9.622 11.144 12.371 1.00 72.35 H new ATOM 0 HB3 SER A 65 9.144 12.820 12.188 1.00 72.35 H new ATOM 0 HG SER A 65 8.073 11.215 14.294 1.00 23.50 H new ATOM 1020 N VAL A 66 6.956 9.159 11.054 1.00 31.20 N ATOM 1021 CA VAL A 66 6.572 7.733 11.105 1.00 54.30 C ATOM 1022 C VAL A 66 7.739 6.861 10.588 1.00 74.25 C ATOM 1023 O VAL A 66 8.093 6.928 9.409 1.00 33.51 O ATOM 1024 CB VAL A 66 5.278 7.471 10.230 1.00 3.44 C ATOM 1025 CG1 VAL A 66 4.758 6.019 10.390 1.00 30.51 C ATOM 1026 CG2 VAL A 66 4.165 8.505 10.550 1.00 61.33 C ATOM 0 H VAL A 66 7.024 9.519 10.102 1.00 31.20 H new ATOM 0 HA VAL A 66 6.350 7.469 12.139 1.00 54.30 H new ATOM 0 HB VAL A 66 5.563 7.598 9.186 1.00 3.44 H new ATOM 0 HG11 VAL A 66 3.870 5.881 9.774 1.00 30.51 H new ATOM 0 HG12 VAL A 66 5.531 5.319 10.074 1.00 30.51 H new ATOM 0 HG13 VAL A 66 4.507 5.836 11.435 1.00 30.51 H new ATOM 0 HG21 VAL A 66 3.290 8.300 9.934 1.00 61.33 H new ATOM 0 HG22 VAL A 66 3.893 8.433 11.603 1.00 61.33 H new ATOM 0 HG23 VAL A 66 4.530 9.510 10.338 1.00 61.33 H new ATOM 1036 N ASP A 67 8.329 6.048 11.478 1.00 33.24 N ATOM 1037 CA ASP A 67 9.485 5.186 11.144 1.00 64.54 C ATOM 1038 C ASP A 67 9.009 3.917 10.422 1.00 53.01 C ATOM 1039 O ASP A 67 8.311 3.086 11.016 1.00 62.23 O ATOM 1040 CB ASP A 67 10.268 4.791 12.425 1.00 24.44 C ATOM 1041 CG ASP A 67 10.891 5.994 13.138 1.00 33.10 C ATOM 1042 OD1 ASP A 67 10.185 6.661 13.917 1.00 12.11 O ATOM 1043 OD2 ASP A 67 12.081 6.296 12.910 1.00 24.31 O ATOM 0 H ASP A 67 8.023 5.966 12.448 1.00 33.24 H new ATOM 0 HA ASP A 67 10.148 5.749 10.488 1.00 64.54 H new ATOM 0 HB2 ASP A 67 9.596 4.277 13.111 1.00 24.44 H new ATOM 0 HB3 ASP A 67 11.055 4.085 12.160 1.00 24.44 H new ATOM 1048 N LEU A 68 9.371 3.785 9.138 1.00 22.13 N ATOM 1049 CA LEU A 68 9.029 2.606 8.312 1.00 63.01 C ATOM 1050 C LEU A 68 10.307 2.063 7.647 1.00 35.03 C ATOM 1051 O LEU A 68 11.387 2.669 7.772 1.00 51.30 O ATOM 1052 CB LEU A 68 7.986 2.980 7.217 1.00 60.03 C ATOM 1053 CG LEU A 68 6.707 3.740 7.696 1.00 61.14 C ATOM 1054 CD1 LEU A 68 5.834 4.150 6.509 1.00 24.50 C ATOM 1055 CD2 LEU A 68 5.886 2.916 8.702 1.00 62.52 C ATOM 0 H LEU A 68 9.910 4.491 8.637 1.00 22.13 H new ATOM 0 HA LEU A 68 8.592 1.842 8.955 1.00 63.01 H new ATOM 0 HB2 LEU A 68 8.485 3.593 6.467 1.00 60.03 H new ATOM 0 HB3 LEU A 68 7.671 2.063 6.720 1.00 60.03 H new ATOM 0 HG LEU A 68 7.049 4.640 8.207 1.00 61.14 H new ATOM 0 HD11 LEU A 68 4.951 4.677 6.871 1.00 24.50 H new ATOM 0 HD12 LEU A 68 6.402 4.805 5.849 1.00 24.50 H new ATOM 0 HD13 LEU A 68 5.526 3.260 5.960 1.00 24.50 H new ATOM 0 HD21 LEU A 68 5.007 3.484 9.007 1.00 62.52 H new ATOM 0 HD22 LEU A 68 5.571 1.982 8.236 1.00 62.52 H new ATOM 0 HD23 LEU A 68 6.497 2.696 9.577 1.00 62.52 H new ATOM 1067 N GLU A 69 10.174 0.928 6.939 1.00 1.24 N ATOM 1068 CA GLU A 69 11.269 0.345 6.149 1.00 21.42 C ATOM 1069 C GLU A 69 11.460 1.119 4.835 1.00 43.23 C ATOM 1070 O GLU A 69 10.522 1.743 4.314 1.00 43.04 O ATOM 1071 CB GLU A 69 10.986 -1.151 5.817 1.00 30.22 C ATOM 1072 CG GLU A 69 9.781 -1.407 4.873 1.00 3.20 C ATOM 1073 CD GLU A 69 9.545 -2.895 4.548 1.00 54.23 C ATOM 1074 OE1 GLU A 69 10.527 -3.638 4.452 1.00 5.12 O ATOM 1075 OE2 GLU A 69 8.377 -3.324 4.372 1.00 44.50 O ATOM 0 H GLU A 69 9.307 0.392 6.899 1.00 1.24 H new ATOM 0 HA GLU A 69 12.176 0.413 6.750 1.00 21.42 H new ATOM 0 HB2 GLU A 69 11.879 -1.580 5.363 1.00 30.22 H new ATOM 0 HB3 GLU A 69 10.815 -1.687 6.751 1.00 30.22 H new ATOM 0 HG2 GLU A 69 8.880 -0.998 5.331 1.00 3.20 H new ATOM 0 HG3 GLU A 69 9.940 -0.863 3.942 1.00 3.20 H new ATOM 1082 N THR A 70 12.693 1.099 4.333 1.00 4.21 N ATOM 1083 CA THR A 70 12.991 1.421 2.935 1.00 72.12 C ATOM 1084 C THR A 70 13.571 0.159 2.259 1.00 53.44 C ATOM 1085 O THR A 70 13.827 -0.851 2.940 1.00 41.13 O ATOM 1086 CB THR A 70 13.963 2.649 2.816 1.00 44.23 C ATOM 1087 OG1 THR A 70 13.983 3.130 1.463 1.00 2.31 O ATOM 1088 CG2 THR A 70 15.400 2.316 3.254 1.00 71.23 C ATOM 0 H THR A 70 13.517 0.859 4.884 1.00 4.21 H new ATOM 0 HA THR A 70 12.074 1.716 2.424 1.00 72.12 H new ATOM 0 HB THR A 70 13.582 3.417 3.489 1.00 44.23 H new ATOM 0 HG1 THR A 70 14.590 3.897 1.397 1.00 2.31 H new ATOM 0 HG21 THR A 70 16.027 3.202 3.150 1.00 71.23 H new ATOM 0 HG22 THR A 70 15.397 1.993 4.295 1.00 71.23 H new ATOM 0 HG23 THR A 70 15.795 1.517 2.627 1.00 71.23 H new ATOM 1096 N SER A 71 13.788 0.238 0.933 1.00 20.52 N ATOM 1097 CA SER A 71 14.213 -0.905 0.105 1.00 43.45 C ATOM 1098 C SER A 71 15.570 -1.483 0.568 1.00 43.33 C ATOM 1099 O SER A 71 15.749 -2.703 0.606 1.00 61.22 O ATOM 1100 CB SER A 71 14.285 -0.478 -1.372 1.00 44.31 C ATOM 1101 OG SER A 71 13.084 0.157 -1.789 1.00 3.45 O ATOM 0 H SER A 71 13.673 1.102 0.403 1.00 20.52 H new ATOM 0 HA SER A 71 13.472 -1.696 0.220 1.00 43.45 H new ATOM 0 HB2 SER A 71 15.126 0.201 -1.515 1.00 44.31 H new ATOM 0 HB3 SER A 71 14.471 -1.352 -1.996 1.00 44.31 H new ATOM 0 HG SER A 71 12.567 -0.458 -2.350 1.00 3.45 H new ATOM 1107 N ASP A 72 16.527 -0.598 0.900 1.00 31.52 N ATOM 1108 CA ASP A 72 17.847 -0.991 1.454 1.00 73.14 C ATOM 1109 C ASP A 72 17.810 -1.294 2.976 1.00 32.22 C ATOM 1110 O ASP A 72 18.684 -0.836 3.719 1.00 73.42 O ATOM 1111 CB ASP A 72 18.880 0.130 1.139 1.00 54.13 C ATOM 1112 CG ASP A 72 19.002 0.395 -0.366 1.00 30.12 C ATOM 1113 OD1 ASP A 72 19.684 -0.382 -1.067 1.00 75.03 O ATOM 1114 OD2 ASP A 72 18.383 1.355 -0.864 1.00 64.24 O ATOM 0 H ASP A 72 16.413 0.410 0.794 1.00 31.52 H new ATOM 0 HA ASP A 72 18.142 -1.925 0.975 1.00 73.14 H new ATOM 0 HB2 ASP A 72 18.583 1.048 1.646 1.00 54.13 H new ATOM 0 HB3 ASP A 72 19.854 -0.153 1.537 1.00 54.13 H new ATOM 1119 N ASP A 73 16.795 -2.081 3.417 1.00 22.42 N ATOM 1120 CA ASP A 73 16.664 -2.669 4.794 1.00 33.33 C ATOM 1121 C ASP A 73 16.940 -1.697 5.964 1.00 32.22 C ATOM 1122 O ASP A 73 17.238 -2.122 7.082 1.00 4.31 O ATOM 1123 CB ASP A 73 17.484 -3.996 4.929 1.00 71.00 C ATOM 1124 CG ASP A 73 19.019 -3.858 4.931 1.00 70.42 C ATOM 1125 OD1 ASP A 73 19.631 -3.833 3.839 1.00 63.24 O ATOM 1126 OD2 ASP A 73 19.621 -3.800 6.021 1.00 22.12 O ATOM 0 H ASP A 73 16.015 -2.338 2.811 1.00 22.42 H new ATOM 0 HA ASP A 73 15.603 -2.901 4.892 1.00 33.33 H new ATOM 0 HB2 ASP A 73 17.185 -4.490 5.854 1.00 71.00 H new ATOM 0 HB3 ASP A 73 17.202 -4.656 4.109 1.00 71.00 H new ATOM 1131 N ARG A 74 16.765 -0.397 5.702 1.00 3.41 N ATOM 1132 CA ARG A 74 17.052 0.676 6.668 1.00 3.04 C ATOM 1133 C ARG A 74 15.724 1.150 7.304 1.00 10.11 C ATOM 1134 O ARG A 74 14.639 0.727 6.880 1.00 63.01 O ATOM 1135 CB ARG A 74 17.789 1.831 5.908 1.00 54.11 C ATOM 1136 CG ARG A 74 18.438 2.920 6.791 1.00 12.15 C ATOM 1137 CD ARG A 74 19.051 4.064 5.973 1.00 41.24 C ATOM 1138 NE ARG A 74 19.761 5.030 6.825 1.00 14.13 N ATOM 1139 CZ ARG A 74 19.861 6.348 6.598 1.00 30.02 C ATOM 1140 NH1 ARG A 74 19.290 6.907 5.529 1.00 64.44 N ATOM 1141 NH2 ARG A 74 20.547 7.107 7.444 1.00 32.24 N ATOM 0 H ARG A 74 16.417 -0.054 4.806 1.00 3.41 H new ATOM 0 HA ARG A 74 17.697 0.328 7.475 1.00 3.04 H new ATOM 0 HB2 ARG A 74 18.565 1.390 5.282 1.00 54.11 H new ATOM 0 HB3 ARG A 74 17.075 2.312 5.239 1.00 54.11 H new ATOM 0 HG2 ARG A 74 17.687 3.326 7.469 1.00 12.15 H new ATOM 0 HG3 ARG A 74 19.213 2.466 7.409 1.00 12.15 H new ATOM 0 HD2 ARG A 74 19.742 3.654 5.236 1.00 41.24 H new ATOM 0 HD3 ARG A 74 18.264 4.577 5.421 1.00 41.24 H new ATOM 0 HE ARG A 74 20.217 4.666 7.661 1.00 14.13 H new ATOM 0 HH11 ARG A 74 18.768 6.330 4.870 1.00 64.44 H new ATOM 0 HH12 ARG A 74 19.376 7.911 5.371 1.00 64.44 H new ATOM 0 HH21 ARG A 74 20.993 6.687 8.259 1.00 32.24 H new ATOM 0 HH22 ARG A 74 20.628 8.110 7.279 1.00 32.24 H new ATOM 1155 N THR A 75 15.820 2.050 8.292 1.00 13.11 N ATOM 1156 CA THR A 75 14.668 2.673 8.940 1.00 55.42 C ATOM 1157 C THR A 75 14.781 4.172 8.662 1.00 1.04 C ATOM 1158 O THR A 75 15.856 4.755 8.866 1.00 73.14 O ATOM 1159 CB THR A 75 14.642 2.430 10.483 1.00 74.34 C ATOM 1160 OG1 THR A 75 14.812 1.034 10.771 1.00 44.35 O ATOM 1161 CG2 THR A 75 13.330 2.930 11.115 1.00 75.34 C ATOM 0 H THR A 75 16.715 2.367 8.666 1.00 13.11 H new ATOM 0 HA THR A 75 13.749 2.240 8.546 1.00 55.42 H new ATOM 0 HB THR A 75 15.467 2.996 10.916 1.00 74.34 H new ATOM 0 HG1 THR A 75 14.795 0.896 11.741 1.00 44.35 H new ATOM 0 HG21 THR A 75 13.349 2.744 12.189 1.00 75.34 H new ATOM 0 HG22 THR A 75 13.224 4.000 10.934 1.00 75.34 H new ATOM 0 HG23 THR A 75 12.487 2.401 10.670 1.00 75.34 H new ATOM 1169 N VAL A 76 13.691 4.789 8.204 1.00 2.33 N ATOM 1170 CA VAL A 76 13.683 6.209 7.802 1.00 40.14 C ATOM 1171 C VAL A 76 12.365 6.867 8.210 1.00 4.24 C ATOM 1172 O VAL A 76 11.322 6.209 8.304 1.00 71.10 O ATOM 1173 CB VAL A 76 13.950 6.422 6.253 1.00 42.21 C ATOM 1174 CG1 VAL A 76 15.440 6.199 5.896 1.00 73.43 C ATOM 1175 CG2 VAL A 76 13.035 5.520 5.393 1.00 34.31 C ATOM 0 H VAL A 76 12.788 4.326 8.099 1.00 2.33 H new ATOM 0 HA VAL A 76 14.510 6.686 8.327 1.00 40.14 H new ATOM 0 HB VAL A 76 13.707 7.460 6.025 1.00 42.21 H new ATOM 0 HG11 VAL A 76 15.585 6.353 4.827 1.00 73.43 H new ATOM 0 HG12 VAL A 76 16.057 6.905 6.452 1.00 73.43 H new ATOM 0 HG13 VAL A 76 15.728 5.181 6.158 1.00 73.43 H new ATOM 0 HG21 VAL A 76 13.244 5.691 4.337 1.00 34.31 H new ATOM 0 HG22 VAL A 76 13.223 4.474 5.635 1.00 34.31 H new ATOM 0 HG23 VAL A 76 11.992 5.758 5.600 1.00 34.31 H new ATOM 1185 N ARG A 77 12.459 8.174 8.471 1.00 55.44 N ATOM 1186 CA ARG A 77 11.327 9.031 8.807 1.00 71.50 C ATOM 1187 C ARG A 77 10.429 9.214 7.573 1.00 61.32 C ATOM 1188 O ARG A 77 10.928 9.466 6.476 1.00 44.24 O ATOM 1189 CB ARG A 77 11.876 10.401 9.344 1.00 35.23 C ATOM 1190 CG ARG A 77 10.834 11.544 9.553 1.00 42.22 C ATOM 1191 CD ARG A 77 10.631 12.443 8.312 1.00 64.50 C ATOM 1192 NE ARG A 77 11.859 13.185 7.957 1.00 43.14 N ATOM 1193 CZ ARG A 77 12.642 12.951 6.886 1.00 44.52 C ATOM 1194 NH1 ARG A 77 12.350 11.984 6.023 1.00 25.44 N ATOM 1195 NH2 ARG A 77 13.727 13.690 6.694 1.00 42.55 N ATOM 0 H ARG A 77 13.348 8.674 8.453 1.00 55.44 H new ATOM 0 HA ARG A 77 10.717 8.575 9.587 1.00 71.50 H new ATOM 0 HB2 ARG A 77 12.374 10.218 10.296 1.00 35.23 H new ATOM 0 HB3 ARG A 77 12.637 10.758 8.650 1.00 35.23 H new ATOM 0 HG2 ARG A 77 9.877 11.103 9.830 1.00 42.22 H new ATOM 0 HG3 ARG A 77 11.153 12.164 10.390 1.00 42.22 H new ATOM 0 HD2 ARG A 77 10.322 11.829 7.466 1.00 64.50 H new ATOM 0 HD3 ARG A 77 9.824 13.150 8.505 1.00 64.50 H new ATOM 0 HE ARG A 77 12.139 13.943 8.579 1.00 43.14 H new ATOM 0 HH11 ARG A 77 11.522 11.405 6.166 1.00 25.44 H new ATOM 0 HH12 ARG A 77 12.954 11.820 5.217 1.00 25.44 H new ATOM 0 HH21 ARG A 77 13.964 14.430 7.355 1.00 42.55 H new ATOM 0 HH22 ARG A 77 14.324 13.518 5.885 1.00 42.55 H new ATOM 1209 N TYR A 78 9.114 9.040 7.772 1.00 10.43 N ATOM 1210 CA TYR A 78 8.067 9.386 6.795 1.00 30.43 C ATOM 1211 C TYR A 78 7.238 10.546 7.358 1.00 52.32 C ATOM 1212 O TYR A 78 6.937 10.575 8.546 1.00 2.40 O ATOM 1213 CB TYR A 78 7.146 8.167 6.490 1.00 72.23 C ATOM 1214 CG TYR A 78 7.758 7.109 5.550 1.00 24.45 C ATOM 1215 CD1 TYR A 78 8.938 6.435 5.875 1.00 3.42 C ATOM 1216 CD2 TYR A 78 7.141 6.779 4.336 1.00 61.41 C ATOM 1217 CE1 TYR A 78 9.473 5.482 5.029 1.00 73.20 C ATOM 1218 CE2 TYR A 78 7.673 5.826 3.493 1.00 11.41 C ATOM 1219 CZ TYR A 78 8.839 5.180 3.843 1.00 22.43 C ATOM 1220 OH TYR A 78 9.378 4.225 3.004 1.00 34.32 O ATOM 0 H TYR A 78 8.739 8.646 8.635 1.00 10.43 H new ATOM 0 HA TYR A 78 8.540 9.679 5.858 1.00 30.43 H new ATOM 0 HB2 TYR A 78 6.882 7.686 7.432 1.00 72.23 H new ATOM 0 HB3 TYR A 78 6.219 8.532 6.047 1.00 72.23 H new ATOM 0 HD1 TYR A 78 9.441 6.663 6.803 1.00 3.42 H new ATOM 0 HD2 TYR A 78 6.228 7.282 4.054 1.00 61.41 H new ATOM 0 HE1 TYR A 78 10.388 4.974 5.297 1.00 73.20 H new ATOM 0 HE2 TYR A 78 7.178 5.587 2.563 1.00 11.41 H new ATOM 0 HH TYR A 78 9.715 3.474 3.536 1.00 34.32 H new ATOM 1230 N LEU A 79 6.889 11.499 6.503 1.00 4.31 N ATOM 1231 CA LEU A 79 6.020 12.621 6.868 1.00 12.44 C ATOM 1232 C LEU A 79 4.583 12.265 6.505 1.00 2.33 C ATOM 1233 O LEU A 79 4.274 12.046 5.321 1.00 62.24 O ATOM 1234 CB LEU A 79 6.482 13.927 6.166 1.00 64.21 C ATOM 1235 CG LEU A 79 7.832 14.515 6.686 1.00 54.10 C ATOM 1236 CD1 LEU A 79 8.243 15.778 5.904 1.00 50.22 C ATOM 1237 CD2 LEU A 79 7.757 14.800 8.207 1.00 24.32 C ATOM 0 H LEU A 79 7.200 11.519 5.532 1.00 4.31 H new ATOM 0 HA LEU A 79 6.080 12.802 7.941 1.00 12.44 H new ATOM 0 HB2 LEU A 79 6.575 13.734 5.097 1.00 64.21 H new ATOM 0 HB3 LEU A 79 5.704 14.681 6.287 1.00 64.21 H new ATOM 0 HG LEU A 79 8.605 13.765 6.517 1.00 54.10 H new ATOM 0 HD11 LEU A 79 9.187 16.157 6.295 1.00 50.22 H new ATOM 0 HD12 LEU A 79 8.361 15.530 4.849 1.00 50.22 H new ATOM 0 HD13 LEU A 79 7.472 16.541 6.014 1.00 50.22 H new ATOM 0 HD21 LEU A 79 8.708 15.209 8.548 1.00 24.32 H new ATOM 0 HD22 LEU A 79 6.962 15.519 8.404 1.00 24.32 H new ATOM 0 HD23 LEU A 79 7.549 13.873 8.741 1.00 24.32 H new ATOM 1249 N HIS A 80 3.721 12.163 7.539 1.00 55.13 N ATOM 1250 CA HIS A 80 2.311 11.807 7.369 1.00 10.32 C ATOM 1251 C HIS A 80 1.561 12.986 6.720 1.00 24.11 C ATOM 1252 O HIS A 80 1.136 13.932 7.395 1.00 21.24 O ATOM 1253 CB HIS A 80 1.708 11.412 8.742 1.00 4.31 C ATOM 1254 CG HIS A 80 0.221 11.167 8.729 1.00 42.32 C ATOM 1255 ND1 HIS A 80 -0.597 11.711 9.687 1.00 75.42 N ATOM 1256 CD2 HIS A 80 -0.534 10.445 7.868 1.00 31.12 C ATOM 1257 CE1 HIS A 80 -1.810 11.311 9.395 1.00 44.22 C ATOM 1258 NE2 HIS A 80 -1.821 10.545 8.305 1.00 54.23 N ATOM 0 H HIS A 80 3.990 12.326 8.509 1.00 55.13 H new ATOM 0 HA HIS A 80 2.211 10.947 6.707 1.00 10.32 H new ATOM 0 HB2 HIS A 80 2.208 10.511 9.098 1.00 4.31 H new ATOM 0 HB3 HIS A 80 1.926 12.202 9.460 1.00 4.31 H new ATOM 0 HD2 HIS A 80 -0.185 9.898 7.005 1.00 31.12 H new ATOM 0 HE1 HIS A 80 -2.690 11.570 9.966 1.00 44.22 H new ATOM 0 HE2 HIS A 80 -2.640 10.114 7.877 1.00 54.23 H new ATOM 1266 N VAL A 81 1.387 12.897 5.397 1.00 33.15 N ATOM 1267 CA VAL A 81 0.853 14.005 4.586 1.00 62.35 C ATOM 1268 C VAL A 81 -0.670 13.950 4.457 1.00 14.33 C ATOM 1269 O VAL A 81 -1.294 14.984 4.265 1.00 34.23 O ATOM 1270 CB VAL A 81 1.517 14.052 3.156 1.00 22.43 C ATOM 1271 CG1 VAL A 81 3.037 14.340 3.262 1.00 41.11 C ATOM 1272 CG2 VAL A 81 1.239 12.751 2.356 1.00 41.43 C ATOM 0 H VAL A 81 1.610 12.061 4.857 1.00 33.15 H new ATOM 0 HA VAL A 81 1.110 14.921 5.118 1.00 62.35 H new ATOM 0 HB VAL A 81 1.060 14.873 2.603 1.00 22.43 H new ATOM 0 HG11 VAL A 81 3.473 14.368 2.263 1.00 41.11 H new ATOM 0 HG12 VAL A 81 3.192 15.301 3.752 1.00 41.11 H new ATOM 0 HG13 VAL A 81 3.516 13.554 3.845 1.00 41.11 H new ATOM 0 HG21 VAL A 81 1.711 12.819 1.376 1.00 41.43 H new ATOM 0 HG22 VAL A 81 1.646 11.897 2.897 1.00 41.43 H new ATOM 0 HG23 VAL A 81 0.164 12.623 2.232 1.00 41.43 H new ATOM 1282 N ALA A 82 -1.272 12.752 4.568 1.00 51.22 N ATOM 1283 CA ALA A 82 -2.723 12.587 4.354 1.00 33.42 C ATOM 1284 C ALA A 82 -3.293 11.401 5.129 1.00 54.43 C ATOM 1285 O ALA A 82 -2.565 10.508 5.535 1.00 53.54 O ATOM 1286 CB ALA A 82 -3.025 12.438 2.849 1.00 55.41 C ATOM 0 H ALA A 82 -0.781 11.889 4.803 1.00 51.22 H new ATOM 0 HA ALA A 82 -3.211 13.484 4.735 1.00 33.42 H new ATOM 0 HB1 ALA A 82 -4.098 12.317 2.704 1.00 55.41 H new ATOM 0 HB2 ALA A 82 -2.685 13.328 2.320 1.00 55.41 H new ATOM 0 HB3 ALA A 82 -2.505 11.563 2.458 1.00 55.41 H new ATOM 1292 N THR A 83 -4.616 11.427 5.330 1.00 3.13 N ATOM 1293 CA THR A 83 -5.395 10.308 5.870 1.00 14.20 C ATOM 1294 C THR A 83 -6.625 10.133 4.971 1.00 31.33 C ATOM 1295 O THR A 83 -7.404 11.071 4.784 1.00 43.14 O ATOM 1296 CB THR A 83 -5.828 10.561 7.351 1.00 11.31 C ATOM 1297 OG1 THR A 83 -4.663 10.727 8.167 1.00 60.33 O ATOM 1298 CG2 THR A 83 -6.677 9.416 7.923 1.00 4.14 C ATOM 0 H THR A 83 -5.187 12.245 5.117 1.00 3.13 H new ATOM 0 HA THR A 83 -4.785 9.405 5.878 1.00 14.20 H new ATOM 0 HB THR A 83 -6.441 11.463 7.357 1.00 11.31 H new ATOM 0 HG1 THR A 83 -4.444 11.680 8.234 1.00 60.33 H new ATOM 0 HG21 THR A 83 -6.949 9.645 8.953 1.00 4.14 H new ATOM 0 HG22 THR A 83 -7.581 9.300 7.326 1.00 4.14 H new ATOM 0 HG23 THR A 83 -6.104 8.489 7.896 1.00 4.14 H new ATOM 1306 N LEU A 84 -6.785 8.932 4.419 1.00 2.43 N ATOM 1307 CA LEU A 84 -7.804 8.643 3.406 1.00 35.22 C ATOM 1308 C LEU A 84 -8.997 8.002 4.125 1.00 51.24 C ATOM 1309 O LEU A 84 -8.964 6.816 4.435 1.00 71.24 O ATOM 1310 CB LEU A 84 -7.204 7.700 2.311 1.00 73.04 C ATOM 1311 CG LEU A 84 -5.766 8.067 1.790 1.00 31.12 C ATOM 1312 CD1 LEU A 84 -5.300 7.090 0.691 1.00 52.14 C ATOM 1313 CD2 LEU A 84 -5.679 9.536 1.308 1.00 51.51 C ATOM 0 H LEU A 84 -6.209 8.126 4.662 1.00 2.43 H new ATOM 0 HA LEU A 84 -8.135 9.550 2.899 1.00 35.22 H new ATOM 0 HB2 LEU A 84 -7.175 6.686 2.710 1.00 73.04 H new ATOM 0 HB3 LEU A 84 -7.884 7.688 1.459 1.00 73.04 H new ATOM 0 HG LEU A 84 -5.086 7.967 2.636 1.00 31.12 H new ATOM 0 HD11 LEU A 84 -4.303 7.372 0.353 1.00 52.14 H new ATOM 0 HD12 LEU A 84 -5.274 6.077 1.092 1.00 52.14 H new ATOM 0 HD13 LEU A 84 -5.993 7.130 -0.149 1.00 52.14 H new ATOM 0 HD21 LEU A 84 -4.668 9.745 0.957 1.00 51.51 H new ATOM 0 HD22 LEU A 84 -6.386 9.694 0.493 1.00 51.51 H new ATOM 0 HD23 LEU A 84 -5.922 10.205 2.134 1.00 51.51 H new ATOM 1325 N SER A 85 -10.015 8.814 4.418 1.00 32.22 N ATOM 1326 CA SER A 85 -11.159 8.431 5.257 1.00 61.24 C ATOM 1327 C SER A 85 -12.311 7.879 4.402 1.00 21.42 C ATOM 1328 O SER A 85 -12.768 8.537 3.472 1.00 23.10 O ATOM 1329 CB SER A 85 -11.613 9.664 6.073 1.00 14.51 C ATOM 1330 OG SER A 85 -10.544 10.170 6.862 1.00 70.43 O ATOM 0 H SER A 85 -10.071 9.773 4.074 1.00 32.22 H new ATOM 0 HA SER A 85 -10.858 7.636 5.939 1.00 61.24 H new ATOM 0 HB2 SER A 85 -11.971 10.441 5.397 1.00 14.51 H new ATOM 0 HB3 SER A 85 -12.449 9.391 6.717 1.00 14.51 H new ATOM 0 HG SER A 85 -10.852 10.950 7.369 1.00 70.43 H new ATOM 1336 N PHE A 86 -12.796 6.681 4.755 1.00 11.44 N ATOM 1337 CA PHE A 86 -13.815 5.949 3.977 1.00 54.01 C ATOM 1338 C PHE A 86 -14.684 5.079 4.892 1.00 71.14 C ATOM 1339 O PHE A 86 -14.466 5.007 6.107 1.00 25.43 O ATOM 1340 CB PHE A 86 -13.152 5.081 2.860 1.00 63.01 C ATOM 1341 CG PHE A 86 -12.074 4.095 3.328 1.00 3.41 C ATOM 1342 CD1 PHE A 86 -10.738 4.485 3.398 1.00 61.34 C ATOM 1343 CD2 PHE A 86 -12.393 2.783 3.685 1.00 31.33 C ATOM 1344 CE1 PHE A 86 -9.759 3.607 3.813 1.00 33.44 C ATOM 1345 CE2 PHE A 86 -11.409 1.906 4.101 1.00 31.11 C ATOM 1346 CZ PHE A 86 -10.095 2.319 4.165 1.00 44.22 C ATOM 0 H PHE A 86 -12.493 6.186 5.594 1.00 11.44 H new ATOM 0 HA PHE A 86 -14.458 6.686 3.497 1.00 54.01 H new ATOM 0 HB2 PHE A 86 -13.935 4.519 2.351 1.00 63.01 H new ATOM 0 HB3 PHE A 86 -12.709 5.750 2.122 1.00 63.01 H new ATOM 0 HD1 PHE A 86 -10.464 5.493 3.122 1.00 61.34 H new ATOM 0 HD2 PHE A 86 -13.419 2.450 3.635 1.00 31.33 H new ATOM 0 HE1 PHE A 86 -8.729 3.929 3.862 1.00 33.44 H new ATOM 0 HE2 PHE A 86 -11.670 0.895 4.377 1.00 31.11 H new ATOM 0 HZ PHE A 86 -9.329 1.632 4.492 1.00 44.22 H new ATOM 1356 N ASP A 87 -15.689 4.433 4.284 1.00 53.34 N ATOM 1357 CA ASP A 87 -16.488 3.392 4.944 1.00 61.13 C ATOM 1358 C ASP A 87 -16.104 2.029 4.348 1.00 1.44 C ATOM 1359 O ASP A 87 -15.873 1.904 3.133 1.00 5.22 O ATOM 1360 CB ASP A 87 -18.013 3.661 4.819 1.00 73.12 C ATOM 1361 CG ASP A 87 -18.560 3.564 3.381 1.00 41.13 C ATOM 1362 OD1 ASP A 87 -18.479 4.564 2.637 1.00 21.11 O ATOM 1363 OD2 ASP A 87 -19.067 2.486 2.989 1.00 35.23 O ATOM 0 H ASP A 87 -15.970 4.618 3.321 1.00 53.34 H new ATOM 0 HA ASP A 87 -16.270 3.398 6.012 1.00 61.13 H new ATOM 0 HB2 ASP A 87 -18.548 2.949 5.447 1.00 73.12 H new ATOM 0 HB3 ASP A 87 -18.228 4.655 5.210 1.00 73.12 H new ATOM 1368 N LEU A 88 -16.024 1.032 5.219 1.00 74.21 N ATOM 1369 CA LEU A 88 -15.677 -0.349 4.868 1.00 54.04 C ATOM 1370 C LEU A 88 -16.239 -1.248 5.966 1.00 51.11 C ATOM 1371 O LEU A 88 -16.000 -0.977 7.142 1.00 34.20 O ATOM 1372 CB LEU A 88 -14.139 -0.541 4.742 1.00 20.10 C ATOM 1373 CG LEU A 88 -13.656 -1.987 4.368 1.00 54.54 C ATOM 1374 CD1 LEU A 88 -14.148 -2.408 2.963 1.00 43.01 C ATOM 1375 CD2 LEU A 88 -12.119 -2.119 4.493 1.00 32.41 C ATOM 0 H LEU A 88 -16.202 1.159 6.215 1.00 74.21 H new ATOM 0 HA LEU A 88 -16.102 -0.603 3.897 1.00 54.04 H new ATOM 0 HB2 LEU A 88 -13.767 0.152 3.987 1.00 20.10 H new ATOM 0 HB3 LEU A 88 -13.679 -0.259 5.689 1.00 20.10 H new ATOM 0 HG LEU A 88 -14.104 -2.674 5.086 1.00 54.54 H new ATOM 0 HD11 LEU A 88 -13.794 -3.414 2.740 1.00 43.01 H new ATOM 0 HD12 LEU A 88 -15.238 -2.393 2.940 1.00 43.01 H new ATOM 0 HD13 LEU A 88 -13.760 -1.713 2.218 1.00 43.01 H new ATOM 0 HD21 LEU A 88 -11.818 -3.132 4.227 1.00 32.41 H new ATOM 0 HD22 LEU A 88 -11.637 -1.409 3.821 1.00 32.41 H new ATOM 0 HD23 LEU A 88 -11.818 -1.909 5.519 1.00 32.41 H new ATOM 1387 N ASP A 89 -17.035 -2.268 5.568 1.00 34.42 N ATOM 1388 CA ASP A 89 -17.648 -3.256 6.495 1.00 20.11 C ATOM 1389 C ASP A 89 -18.729 -2.573 7.380 1.00 52.31 C ATOM 1390 O ASP A 89 -19.144 -3.099 8.413 1.00 22.52 O ATOM 1391 CB ASP A 89 -16.538 -3.961 7.349 1.00 23.24 C ATOM 1392 CG ASP A 89 -17.025 -5.211 8.109 1.00 14.45 C ATOM 1393 OD1 ASP A 89 -17.108 -6.292 7.495 1.00 3.55 O ATOM 1394 OD2 ASP A 89 -17.313 -5.122 9.320 1.00 73.20 O ATOM 0 H ASP A 89 -17.273 -2.432 4.590 1.00 34.42 H new ATOM 0 HA ASP A 89 -18.151 -4.030 5.915 1.00 20.11 H new ATOM 0 HB2 ASP A 89 -15.716 -4.246 6.692 1.00 23.24 H new ATOM 0 HB3 ASP A 89 -16.138 -3.245 8.067 1.00 23.24 H new ATOM 1399 N GLY A 90 -19.224 -1.406 6.919 1.00 43.20 N ATOM 1400 CA GLY A 90 -20.190 -0.611 7.685 1.00 33.30 C ATOM 1401 C GLY A 90 -19.589 0.177 8.848 1.00 74.15 C ATOM 1402 O GLY A 90 -20.330 0.633 9.728 1.00 24.34 O ATOM 0 H GLY A 90 -18.967 -0.998 6.020 1.00 43.20 H new ATOM 0 HA2 GLY A 90 -20.684 0.086 7.008 1.00 33.30 H new ATOM 0 HA3 GLY A 90 -20.960 -1.277 8.075 1.00 33.30 H new ATOM 1406 N GLU A 91 -18.254 0.356 8.851 1.00 73.14 N ATOM 1407 CA GLU A 91 -17.542 1.152 9.875 1.00 5.14 C ATOM 1408 C GLU A 91 -16.611 2.166 9.185 1.00 53.00 C ATOM 1409 O GLU A 91 -16.181 1.953 8.042 1.00 4.35 O ATOM 1410 CB GLU A 91 -16.735 0.234 10.837 1.00 34.04 C ATOM 1411 CG GLU A 91 -15.590 -0.558 10.166 1.00 15.14 C ATOM 1412 CD GLU A 91 -14.620 -1.250 11.138 1.00 54.15 C ATOM 1413 OE1 GLU A 91 -14.435 -0.754 12.271 1.00 2.02 O ATOM 1414 OE2 GLU A 91 -13.990 -2.255 10.740 1.00 72.14 O ATOM 0 H GLU A 91 -17.637 -0.046 8.145 1.00 73.14 H new ATOM 0 HA GLU A 91 -18.278 1.690 10.473 1.00 5.14 H new ATOM 0 HB2 GLU A 91 -16.316 0.847 11.635 1.00 34.04 H new ATOM 0 HB3 GLU A 91 -17.421 -0.472 11.304 1.00 34.04 H new ATOM 0 HG2 GLU A 91 -16.026 -1.314 9.512 1.00 15.14 H new ATOM 0 HG3 GLU A 91 -15.021 0.122 9.532 1.00 15.14 H new ATOM 1421 N SER A 92 -16.298 3.264 9.885 1.00 35.43 N ATOM 1422 CA SER A 92 -15.504 4.367 9.336 1.00 64.44 C ATOM 1423 C SER A 92 -14.002 4.037 9.440 1.00 35.41 C ATOM 1424 O SER A 92 -13.393 4.205 10.499 1.00 1.24 O ATOM 1425 CB SER A 92 -15.850 5.674 10.088 1.00 5.12 C ATOM 1426 OG SER A 92 -15.254 6.801 9.475 1.00 22.42 O ATOM 0 H SER A 92 -16.590 3.411 10.851 1.00 35.43 H new ATOM 0 HA SER A 92 -15.742 4.505 8.281 1.00 64.44 H new ATOM 0 HB2 SER A 92 -16.932 5.803 10.115 1.00 5.12 H new ATOM 0 HB3 SER A 92 -15.512 5.600 11.122 1.00 5.12 H new ATOM 0 HG SER A 92 -15.494 7.610 9.974 1.00 22.42 H new ATOM 1432 N ARG A 93 -13.442 3.481 8.351 1.00 43.54 N ATOM 1433 CA ARG A 93 -12.012 3.114 8.264 1.00 41.10 C ATOM 1434 C ARG A 93 -11.224 4.161 7.484 1.00 61.54 C ATOM 1435 O ARG A 93 -11.725 4.728 6.529 1.00 35.51 O ATOM 1436 CB ARG A 93 -11.844 1.715 7.608 1.00 54.41 C ATOM 1437 CG ARG A 93 -12.452 0.526 8.390 1.00 2.33 C ATOM 1438 CD ARG A 93 -11.836 0.341 9.796 1.00 41.05 C ATOM 1439 NE ARG A 93 -12.281 1.380 10.736 1.00 62.15 N ATOM 1440 CZ ARG A 93 -11.687 1.700 11.887 1.00 21.53 C ATOM 1441 NH1 ARG A 93 -10.614 1.058 12.304 1.00 42.33 N ATOM 1442 NH2 ARG A 93 -12.148 2.716 12.593 1.00 12.41 N ATOM 0 H ARG A 93 -13.968 3.272 7.502 1.00 43.54 H new ATOM 0 HA ARG A 93 -11.615 3.074 9.278 1.00 41.10 H new ATOM 0 HB2 ARG A 93 -12.297 1.743 6.617 1.00 54.41 H new ATOM 0 HB3 ARG A 93 -10.780 1.526 7.467 1.00 54.41 H new ATOM 0 HG2 ARG A 93 -13.527 0.677 8.489 1.00 2.33 H new ATOM 0 HG3 ARG A 93 -12.310 -0.389 7.815 1.00 2.33 H new ATOM 0 HD2 ARG A 93 -12.109 -0.640 10.185 1.00 41.05 H new ATOM 0 HD3 ARG A 93 -10.749 0.363 9.721 1.00 41.05 H new ATOM 0 HE ARG A 93 -13.120 1.904 10.486 1.00 62.15 H new ATOM 0 HH11 ARG A 93 -10.223 0.301 11.744 1.00 42.33 H new ATOM 0 HH12 ARG A 93 -10.175 1.318 13.187 1.00 42.33 H new ATOM 0 HH21 ARG A 93 -12.951 3.248 12.257 1.00 12.41 H new ATOM 0 HH22 ARG A 93 -11.701 2.969 13.474 1.00 12.41 H new ATOM 1456 N ASP A 94 -9.983 4.406 7.908 1.00 42.24 N ATOM 1457 CA ASP A 94 -9.078 5.363 7.245 1.00 12.41 C ATOM 1458 C ASP A 94 -7.650 4.820 7.175 1.00 21.34 C ATOM 1459 O ASP A 94 -7.121 4.341 8.173 1.00 62.52 O ATOM 1460 CB ASP A 94 -9.115 6.735 7.975 1.00 65.04 C ATOM 1461 CG ASP A 94 -8.888 6.639 9.497 1.00 25.32 C ATOM 1462 OD1 ASP A 94 -9.864 6.360 10.232 1.00 74.12 O ATOM 1463 OD2 ASP A 94 -7.743 6.839 9.963 1.00 75.03 O ATOM 0 H ASP A 94 -9.571 3.949 8.721 1.00 42.24 H new ATOM 0 HA ASP A 94 -9.425 5.505 6.222 1.00 12.41 H new ATOM 0 HB2 ASP A 94 -8.354 7.385 7.544 1.00 65.04 H new ATOM 0 HB3 ASP A 94 -10.080 7.208 7.790 1.00 65.04 H new ATOM 1468 N LEU A 95 -7.031 4.905 5.980 1.00 14.34 N ATOM 1469 CA LEU A 95 -5.625 4.496 5.765 1.00 10.03 C ATOM 1470 C LEU A 95 -4.753 5.744 5.639 1.00 62.24 C ATOM 1471 O LEU A 95 -5.085 6.656 4.887 1.00 41.22 O ATOM 1472 CB LEU A 95 -5.472 3.602 4.503 1.00 23.24 C ATOM 1473 CG LEU A 95 -6.300 2.277 4.488 1.00 12.33 C ATOM 1474 CD1 LEU A 95 -5.866 1.373 3.319 1.00 42.32 C ATOM 1475 CD2 LEU A 95 -6.222 1.530 5.839 1.00 31.43 C ATOM 0 H LEU A 95 -7.488 5.257 5.139 1.00 14.34 H new ATOM 0 HA LEU A 95 -5.304 3.904 6.622 1.00 10.03 H new ATOM 0 HB2 LEU A 95 -5.754 4.191 3.630 1.00 23.24 H new ATOM 0 HB3 LEU A 95 -4.418 3.348 4.389 1.00 23.24 H new ATOM 0 HG LEU A 95 -7.345 2.546 4.337 1.00 12.33 H new ATOM 0 HD11 LEU A 95 -6.456 0.457 3.329 1.00 42.32 H new ATOM 0 HD12 LEU A 95 -6.024 1.896 2.376 1.00 42.32 H new ATOM 0 HD13 LEU A 95 -4.810 1.125 3.423 1.00 42.32 H new ATOM 0 HD21 LEU A 95 -6.812 0.615 5.783 1.00 31.43 H new ATOM 0 HD22 LEU A 95 -5.184 1.280 6.057 1.00 31.43 H new ATOM 0 HD23 LEU A 95 -6.615 2.168 6.631 1.00 31.43 H new ATOM 1487 N HIS A 96 -3.631 5.769 6.358 1.00 51.33 N ATOM 1488 CA HIS A 96 -2.774 6.955 6.450 1.00 21.25 C ATOM 1489 C HIS A 96 -1.712 6.921 5.340 1.00 2.11 C ATOM 1490 O HIS A 96 -0.970 5.942 5.209 1.00 12.43 O ATOM 1491 CB HIS A 96 -2.137 7.033 7.856 1.00 65.20 C ATOM 1492 CG HIS A 96 -3.145 7.249 8.962 1.00 24.43 C ATOM 1493 ND1 HIS A 96 -3.118 8.368 9.750 1.00 25.23 N ATOM 1494 CD2 HIS A 96 -4.191 6.474 9.346 1.00 12.44 C ATOM 1495 CE1 HIS A 96 -4.129 8.251 10.588 1.00 22.30 C ATOM 1496 NE2 HIS A 96 -4.808 7.121 10.379 1.00 73.11 N ATOM 0 H HIS A 96 -3.289 4.970 6.893 1.00 51.33 H new ATOM 0 HA HIS A 96 -3.372 7.855 6.306 1.00 21.25 H new ATOM 0 HB2 HIS A 96 -1.589 6.111 8.050 1.00 65.20 H new ATOM 0 HB3 HIS A 96 -1.411 7.846 7.873 1.00 65.20 H new ATOM 0 HD1 HIS A 96 -2.450 9.137 9.699 1.00 25.23 H new ATOM 0 HD2 HIS A 96 -4.480 5.526 8.917 1.00 12.44 H new ATOM 0 HE1 HIS A 96 -4.377 8.978 11.348 1.00 22.30 H new ATOM 1504 N ALA A 97 -1.666 8.003 4.551 1.00 5.14 N ATOM 1505 CA ALA A 97 -0.788 8.149 3.388 1.00 10.12 C ATOM 1506 C ALA A 97 0.404 9.035 3.756 1.00 64.10 C ATOM 1507 O ALA A 97 0.226 10.160 4.247 1.00 4.04 O ATOM 1508 CB ALA A 97 -1.573 8.761 2.211 1.00 23.13 C ATOM 0 H ALA A 97 -2.255 8.821 4.710 1.00 5.14 H new ATOM 0 HA ALA A 97 -0.419 7.169 3.085 1.00 10.12 H new ATOM 0 HB1 ALA A 97 -0.914 8.867 1.350 1.00 23.13 H new ATOM 0 HB2 ALA A 97 -2.407 8.109 1.952 1.00 23.13 H new ATOM 0 HB3 ALA A 97 -1.954 9.741 2.498 1.00 23.13 H new ATOM 1514 N PHE A 98 1.613 8.514 3.529 1.00 51.41 N ATOM 1515 CA PHE A 98 2.870 9.214 3.827 1.00 22.42 C ATOM 1516 C PHE A 98 3.935 8.888 2.767 1.00 70.54 C ATOM 1517 O PHE A 98 3.749 8.019 1.910 1.00 71.44 O ATOM 1518 CB PHE A 98 3.388 8.894 5.286 1.00 54.35 C ATOM 1519 CG PHE A 98 2.838 7.621 5.937 1.00 53.42 C ATOM 1520 CD1 PHE A 98 3.077 6.365 5.385 1.00 25.10 C ATOM 1521 CD2 PHE A 98 2.074 7.691 7.107 1.00 4.33 C ATOM 1522 CE1 PHE A 98 2.572 5.225 5.982 1.00 24.11 C ATOM 1523 CE2 PHE A 98 1.575 6.549 7.702 1.00 50.44 C ATOM 1524 CZ PHE A 98 1.822 5.316 7.138 1.00 12.44 C ATOM 0 H PHE A 98 1.750 7.586 3.129 1.00 51.41 H new ATOM 0 HA PHE A 98 2.672 10.285 3.790 1.00 22.42 H new ATOM 0 HB2 PHE A 98 4.475 8.820 5.255 1.00 54.35 H new ATOM 0 HB3 PHE A 98 3.144 9.740 5.929 1.00 54.35 H new ATOM 0 HD1 PHE A 98 3.663 6.281 4.482 1.00 25.10 H new ATOM 0 HD2 PHE A 98 1.871 8.654 7.552 1.00 4.33 H new ATOM 0 HE1 PHE A 98 2.765 4.258 5.542 1.00 24.11 H new ATOM 0 HE2 PHE A 98 0.992 6.622 8.608 1.00 50.44 H new ATOM 0 HZ PHE A 98 1.429 4.422 7.600 1.00 12.44 H new ATOM 1534 N ARG A 99 5.044 9.620 2.861 1.00 51.44 N ATOM 1535 CA ARG A 99 6.230 9.485 2.001 1.00 64.41 C ATOM 1536 C ARG A 99 7.449 9.904 2.830 1.00 1.51 C ATOM 1537 O ARG A 99 7.264 10.618 3.815 1.00 61.44 O ATOM 1538 CB ARG A 99 6.095 10.369 0.735 1.00 50.54 C ATOM 1539 CG ARG A 99 5.895 11.902 0.996 1.00 63.43 C ATOM 1540 CD ARG A 99 4.515 12.411 0.551 1.00 13.30 C ATOM 1541 NE ARG A 99 4.265 12.206 -0.892 1.00 13.33 N ATOM 1542 CZ ARG A 99 3.326 12.845 -1.612 1.00 74.33 C ATOM 1543 NH1 ARG A 99 2.518 13.747 -1.049 1.00 71.03 N ATOM 1544 NH2 ARG A 99 3.204 12.573 -2.905 1.00 60.12 N ATOM 0 H ARG A 99 5.150 10.352 3.563 1.00 51.44 H new ATOM 0 HA ARG A 99 6.338 8.455 1.661 1.00 64.41 H new ATOM 0 HB2 ARG A 99 6.988 10.236 0.124 1.00 50.54 H new ATOM 0 HB3 ARG A 99 5.251 10.006 0.149 1.00 50.54 H new ATOM 0 HG2 ARG A 99 6.025 12.104 2.059 1.00 63.43 H new ATOM 0 HG3 ARG A 99 6.669 12.459 0.468 1.00 63.43 H new ATOM 0 HD2 ARG A 99 3.742 11.900 1.125 1.00 13.30 H new ATOM 0 HD3 ARG A 99 4.433 13.473 0.782 1.00 13.30 H new ATOM 0 HE ARG A 99 4.850 11.527 -1.379 1.00 13.33 H new ATOM 0 HH11 ARG A 99 2.607 13.962 -0.056 1.00 71.03 H new ATOM 0 HH12 ARG A 99 1.812 14.221 -1.612 1.00 71.03 H new ATOM 0 HH21 ARG A 99 3.819 11.886 -3.342 1.00 60.12 H new ATOM 0 HH22 ARG A 99 2.496 13.051 -3.462 1.00 60.12 H new ATOM 1558 N GLN A 100 8.671 9.464 2.438 1.00 2.22 N ATOM 1559 CA GLN A 100 9.894 9.644 3.263 1.00 62.22 C ATOM 1560 C GLN A 100 10.081 11.110 3.742 1.00 51.34 C ATOM 1561 O GLN A 100 9.826 11.408 4.914 1.00 30.34 O ATOM 1562 CB GLN A 100 11.158 9.126 2.523 1.00 25.41 C ATOM 1563 CG GLN A 100 11.185 7.600 2.286 1.00 33.43 C ATOM 1564 CD GLN A 100 12.521 7.057 1.753 1.00 12.25 C ATOM 1565 OE1 GLN A 100 13.643 7.645 2.170 1.00 14.30 O flip ATOM 1566 NE2 GLN A 100 12.550 6.084 0.993 1.00 45.23 N flip ATOM 0 H GLN A 100 8.836 8.981 1.555 1.00 2.22 H new ATOM 0 HA GLN A 100 9.756 9.038 4.159 1.00 62.22 H new ATOM 0 HB2 GLN A 100 11.232 9.631 1.560 1.00 25.41 H new ATOM 0 HB3 GLN A 100 12.040 9.407 3.098 1.00 25.41 H new ATOM 0 HG2 GLN A 100 10.952 7.096 3.224 1.00 33.43 H new ATOM 0 HG3 GLN A 100 10.396 7.341 1.580 1.00 33.43 H new ATOM 0 HE21 GLN A 100 11.679 5.650 0.687 1.00 45.23 H new ATOM 0 HE22 GLN A 100 13.445 5.714 0.672 1.00 45.23 H new ATOM 1575 N ALA A 101 10.478 12.032 2.852 1.00 50.34 N ATOM 1576 CA ALA A 101 10.570 13.459 3.216 1.00 53.02 C ATOM 1577 C ALA A 101 9.586 14.312 2.400 1.00 4.10 C ATOM 1578 O ALA A 101 8.496 14.642 2.874 1.00 10.54 O ATOM 1579 CB ALA A 101 12.023 13.951 3.068 1.00 60.30 C ATOM 0 H ALA A 101 10.738 11.822 1.888 1.00 50.34 H new ATOM 0 HA ALA A 101 10.283 13.570 4.262 1.00 53.02 H new ATOM 0 HB1 ALA A 101 12.080 15.005 3.339 1.00 60.30 H new ATOM 0 HB2 ALA A 101 12.672 13.372 3.725 1.00 60.30 H new ATOM 0 HB3 ALA A 101 12.347 13.824 2.035 1.00 60.30 H new ATOM 1585 N ALA A 102 9.942 14.606 1.140 1.00 4.21 N ATOM 1586 CA ALA A 102 9.274 15.651 0.336 1.00 54.12 C ATOM 1587 C ALA A 102 8.874 15.144 -1.055 1.00 21.05 C ATOM 1588 O ALA A 102 9.031 15.870 -2.054 1.00 2.32 O ATOM 1589 CB ALA A 102 10.203 16.879 0.245 1.00 51.33 C ATOM 0 H ALA A 102 10.698 14.130 0.648 1.00 4.21 H new ATOM 0 HA ALA A 102 8.345 15.934 0.830 1.00 54.12 H new ATOM 0 HB1 ALA A 102 9.721 17.657 -0.346 1.00 51.33 H new ATOM 0 HB2 ALA A 102 10.405 17.257 1.247 1.00 51.33 H new ATOM 0 HB3 ALA A 102 11.141 16.591 -0.230 1.00 51.33 H new ATOM 1595 N ASP A 103 8.360 13.897 -1.133 1.00 73.24 N ATOM 1596 CA ASP A 103 7.907 13.324 -2.418 1.00 22.55 C ATOM 1597 C ASP A 103 6.735 14.138 -2.979 1.00 10.12 C ATOM 1598 O ASP A 103 5.823 14.530 -2.245 1.00 3.13 O ATOM 1599 CB ASP A 103 7.488 11.838 -2.292 1.00 41.20 C ATOM 1600 CG ASP A 103 6.868 11.263 -3.584 1.00 65.51 C ATOM 1601 OD1 ASP A 103 7.625 10.933 -4.515 1.00 75.00 O ATOM 1602 OD2 ASP A 103 5.617 11.170 -3.682 1.00 13.13 O ATOM 0 H ASP A 103 8.250 13.275 -0.332 1.00 73.24 H new ATOM 0 HA ASP A 103 8.756 13.371 -3.100 1.00 22.55 H new ATOM 0 HB2 ASP A 103 8.361 11.244 -2.021 1.00 41.20 H new ATOM 0 HB3 ASP A 103 6.770 11.739 -1.478 1.00 41.20 H new ATOM 1607 N GLU A 104 6.807 14.399 -4.283 1.00 54.12 N ATOM 1608 CA GLU A 104 5.789 15.137 -5.049 1.00 62.51 C ATOM 1609 C GLU A 104 5.466 14.364 -6.343 1.00 55.44 C ATOM 1610 O GLU A 104 4.673 14.821 -7.172 1.00 22.21 O ATOM 1611 CB GLU A 104 6.308 16.568 -5.360 1.00 22.34 C ATOM 1612 CG GLU A 104 6.702 17.377 -4.104 1.00 52.21 C ATOM 1613 CD GLU A 104 7.386 18.707 -4.425 1.00 53.01 C ATOM 1614 OE1 GLU A 104 8.622 18.723 -4.587 1.00 2.51 O ATOM 1615 OE2 GLU A 104 6.692 19.740 -4.527 1.00 62.42 O ATOM 0 H GLU A 104 7.594 14.097 -4.857 1.00 54.12 H new ATOM 0 HA GLU A 104 4.873 15.229 -4.466 1.00 62.51 H new ATOM 0 HB2 GLU A 104 7.173 16.495 -6.019 1.00 22.34 H new ATOM 0 HB3 GLU A 104 5.537 17.113 -5.905 1.00 22.34 H new ATOM 0 HG2 GLU A 104 5.808 17.571 -3.511 1.00 52.21 H new ATOM 0 HG3 GLU A 104 7.369 16.774 -3.487 1.00 52.21 H new ATOM 1622 N SER A 105 6.059 13.152 -6.467 1.00 55.22 N ATOM 1623 CA SER A 105 5.886 12.257 -7.625 1.00 63.34 C ATOM 1624 C SER A 105 4.671 11.312 -7.407 1.00 4.20 C ATOM 1625 O SER A 105 4.555 10.265 -8.058 1.00 60.24 O ATOM 1626 CB SER A 105 7.198 11.474 -7.859 1.00 32.44 C ATOM 1627 OG SER A 105 7.200 10.823 -9.113 1.00 71.11 O ATOM 0 H SER A 105 6.678 12.768 -5.753 1.00 55.22 H new ATOM 0 HA SER A 105 5.673 12.843 -8.519 1.00 63.34 H new ATOM 0 HB2 SER A 105 8.045 12.158 -7.802 1.00 32.44 H new ATOM 0 HB3 SER A 105 7.329 10.738 -7.066 1.00 32.44 H new ATOM 0 HG SER A 105 6.335 10.385 -9.256 1.00 71.11 H new ATOM 1633 N ARG A 106 3.803 11.706 -6.440 1.00 22.22 N ATOM 1634 CA ARG A 106 2.452 11.134 -6.208 1.00 71.22 C ATOM 1635 C ARG A 106 2.506 9.786 -5.480 1.00 3.21 C ATOM 1636 O ARG A 106 1.466 9.177 -5.252 1.00 34.24 O ATOM 1637 CB ARG A 106 1.619 11.010 -7.535 1.00 44.13 C ATOM 1638 CG ARG A 106 1.483 12.318 -8.355 1.00 41.13 C ATOM 1639 CD ARG A 106 0.885 13.476 -7.547 1.00 45.42 C ATOM 1640 NE ARG A 106 0.845 14.724 -8.332 1.00 4.21 N ATOM 1641 CZ ARG A 106 1.287 15.924 -7.915 1.00 74.02 C ATOM 1642 NH1 ARG A 106 1.824 16.074 -6.709 1.00 61.32 N ATOM 1643 NH2 ARG A 106 1.177 16.977 -8.707 1.00 15.44 N ATOM 0 H ARG A 106 4.030 12.451 -5.782 1.00 22.22 H new ATOM 0 HA ARG A 106 1.939 11.843 -5.558 1.00 71.22 H new ATOM 0 HB2 ARG A 106 2.082 10.251 -8.166 1.00 44.13 H new ATOM 0 HB3 ARG A 106 0.620 10.651 -7.286 1.00 44.13 H new ATOM 0 HG2 ARG A 106 2.465 12.611 -8.726 1.00 41.13 H new ATOM 0 HG3 ARG A 106 0.856 12.130 -9.227 1.00 41.13 H new ATOM 0 HD2 ARG A 106 -0.124 13.214 -7.228 1.00 45.42 H new ATOM 0 HD3 ARG A 106 1.475 13.633 -6.644 1.00 45.42 H new ATOM 0 HE ARG A 106 0.449 14.673 -9.270 1.00 4.21 H new ATOM 0 HH11 ARG A 106 1.906 15.272 -6.084 1.00 61.32 H new ATOM 0 HH12 ARG A 106 2.154 16.991 -6.408 1.00 61.32 H new ATOM 0 HH21 ARG A 106 0.758 16.878 -9.632 1.00 15.44 H new ATOM 0 HH22 ARG A 106 1.511 17.888 -8.393 1.00 15.44 H new ATOM 1657 N THR A 107 3.700 9.352 -5.059 1.00 72.32 N ATOM 1658 CA THR A 107 3.889 8.018 -4.483 1.00 71.53 C ATOM 1659 C THR A 107 3.463 8.019 -3.001 1.00 63.12 C ATOM 1660 O THR A 107 4.243 8.386 -2.108 1.00 44.03 O ATOM 1661 CB THR A 107 5.367 7.557 -4.650 1.00 54.01 C ATOM 1662 OG1 THR A 107 5.757 7.718 -6.024 1.00 33.32 O ATOM 1663 CG2 THR A 107 5.570 6.084 -4.231 1.00 55.33 C ATOM 0 H THR A 107 4.553 9.909 -5.108 1.00 72.32 H new ATOM 0 HA THR A 107 3.259 7.306 -5.016 1.00 71.53 H new ATOM 0 HB THR A 107 5.985 8.174 -3.997 1.00 54.01 H new ATOM 0 HG1 THR A 107 5.071 7.331 -6.606 1.00 33.32 H new ATOM 0 HG21 THR A 107 6.616 5.808 -4.365 1.00 55.33 H new ATOM 0 HG22 THR A 107 5.294 5.962 -3.184 1.00 55.33 H new ATOM 0 HG23 THR A 107 4.943 5.440 -4.848 1.00 55.33 H new ATOM 1671 N LEU A 108 2.184 7.679 -2.768 1.00 41.52 N ATOM 1672 CA LEU A 108 1.619 7.571 -1.421 1.00 62.51 C ATOM 1673 C LEU A 108 1.718 6.120 -0.947 1.00 35.53 C ATOM 1674 O LEU A 108 1.313 5.193 -1.662 1.00 1.01 O ATOM 1675 CB LEU A 108 0.140 8.028 -1.399 1.00 25.33 C ATOM 1676 CG LEU A 108 -0.171 9.453 -1.943 1.00 70.25 C ATOM 1677 CD1 LEU A 108 -1.657 9.812 -1.726 1.00 21.22 C ATOM 1678 CD2 LEU A 108 0.758 10.511 -1.314 1.00 61.43 C ATOM 0 H LEU A 108 1.517 7.472 -3.511 1.00 41.52 H new ATOM 0 HA LEU A 108 2.185 8.221 -0.753 1.00 62.51 H new ATOM 0 HB2 LEU A 108 -0.444 7.311 -1.976 1.00 25.33 H new ATOM 0 HB3 LEU A 108 -0.215 7.974 -0.370 1.00 25.33 H new ATOM 0 HG LEU A 108 0.020 9.449 -3.016 1.00 70.25 H new ATOM 0 HD11 LEU A 108 -1.850 10.812 -2.114 1.00 21.22 H new ATOM 0 HD12 LEU A 108 -2.286 9.092 -2.250 1.00 21.22 H new ATOM 0 HD13 LEU A 108 -1.886 9.786 -0.661 1.00 21.22 H new ATOM 0 HD21 LEU A 108 0.514 11.494 -1.716 1.00 61.43 H new ATOM 0 HD22 LEU A 108 0.623 10.517 -0.232 1.00 61.43 H new ATOM 0 HD23 LEU A 108 1.795 10.270 -1.549 1.00 61.43 H new ATOM 1690 N PHE A 109 2.248 5.943 0.255 1.00 41.11 N ATOM 1691 CA PHE A 109 2.424 4.636 0.876 1.00 11.54 C ATOM 1692 C PHE A 109 1.313 4.469 1.923 1.00 20.35 C ATOM 1693 O PHE A 109 1.287 5.203 2.916 1.00 52.33 O ATOM 1694 CB PHE A 109 3.834 4.581 1.516 1.00 71.02 C ATOM 1695 CG PHE A 109 4.258 3.208 2.035 1.00 14.33 C ATOM 1696 CD1 PHE A 109 4.561 2.174 1.147 1.00 62.45 C ATOM 1697 CD2 PHE A 109 4.388 2.958 3.403 1.00 5.42 C ATOM 1698 CE1 PHE A 109 4.975 0.941 1.615 1.00 60.14 C ATOM 1699 CE2 PHE A 109 4.796 1.721 3.866 1.00 62.32 C ATOM 1700 CZ PHE A 109 5.093 0.715 2.974 1.00 11.34 C ATOM 0 H PHE A 109 2.573 6.715 0.836 1.00 41.11 H new ATOM 0 HA PHE A 109 2.353 3.823 0.153 1.00 11.54 H new ATOM 0 HB2 PHE A 109 4.564 4.914 0.778 1.00 71.02 H new ATOM 0 HB3 PHE A 109 3.869 5.291 2.342 1.00 71.02 H new ATOM 0 HD1 PHE A 109 4.471 2.339 0.084 1.00 62.45 H new ATOM 0 HD2 PHE A 109 4.166 3.744 4.110 1.00 5.42 H new ATOM 0 HE1 PHE A 109 5.207 0.151 0.916 1.00 60.14 H new ATOM 0 HE2 PHE A 109 4.882 1.544 4.928 1.00 62.32 H new ATOM 0 HZ PHE A 109 5.418 -0.250 3.335 1.00 11.34 H new ATOM 1710 N VAL A 110 0.367 3.542 1.670 1.00 71.25 N ATOM 1711 CA VAL A 110 -0.763 3.263 2.590 1.00 21.35 C ATOM 1712 C VAL A 110 -0.775 1.772 3.017 1.00 3.14 C ATOM 1713 O VAL A 110 -1.441 0.941 2.406 1.00 45.41 O ATOM 1714 CB VAL A 110 -2.175 3.688 1.979 1.00 42.25 C ATOM 1715 CG1 VAL A 110 -2.351 5.214 1.982 1.00 64.53 C ATOM 1716 CG2 VAL A 110 -2.388 3.133 0.552 1.00 50.43 C ATOM 0 H VAL A 110 0.361 2.967 0.828 1.00 71.25 H new ATOM 0 HA VAL A 110 -0.604 3.880 3.475 1.00 21.35 H new ATOM 0 HB VAL A 110 -2.934 3.246 2.625 1.00 42.25 H new ATOM 0 HG11 VAL A 110 -3.323 5.469 1.559 1.00 64.53 H new ATOM 0 HG12 VAL A 110 -2.292 5.585 3.005 1.00 64.53 H new ATOM 0 HG13 VAL A 110 -1.564 5.672 1.384 1.00 64.53 H new ATOM 0 HG21 VAL A 110 -3.363 3.449 0.180 1.00 50.43 H new ATOM 0 HG22 VAL A 110 -1.607 3.513 -0.107 1.00 50.43 H new ATOM 0 HG23 VAL A 110 -2.345 2.044 0.575 1.00 50.43 H new ATOM 1726 N PRO A 111 -0.011 1.391 4.082 1.00 73.42 N ATOM 1727 CA PRO A 111 -0.127 0.049 4.676 1.00 50.21 C ATOM 1728 C PRO A 111 -1.457 -0.074 5.438 1.00 51.31 C ATOM 1729 O PRO A 111 -2.049 0.942 5.826 1.00 32.44 O ATOM 1730 CB PRO A 111 1.102 -0.030 5.619 1.00 41.24 C ATOM 1731 CG PRO A 111 1.379 1.395 6.005 1.00 34.44 C ATOM 1732 CD PRO A 111 0.986 2.230 4.798 1.00 10.11 C ATOM 0 HA PRO A 111 -0.133 -0.763 3.948 1.00 50.21 H new ATOM 0 HB2 PRO A 111 0.890 -0.643 6.495 1.00 41.24 H new ATOM 0 HB3 PRO A 111 1.959 -0.478 5.116 1.00 41.24 H new ATOM 0 HG2 PRO A 111 0.802 1.682 6.884 1.00 34.44 H new ATOM 0 HG3 PRO A 111 2.431 1.536 6.253 1.00 34.44 H new ATOM 0 HD2 PRO A 111 0.559 3.187 5.098 1.00 10.11 H new ATOM 0 HD3 PRO A 111 1.848 2.449 4.168 1.00 10.11 H new ATOM 1740 N PHE A 112 -1.946 -1.301 5.604 1.00 74.12 N ATOM 1741 CA PHE A 112 -3.126 -1.575 6.438 1.00 62.53 C ATOM 1742 C PHE A 112 -2.951 -2.894 7.178 1.00 35.23 C ATOM 1743 O PHE A 112 -2.191 -3.765 6.750 1.00 13.33 O ATOM 1744 CB PHE A 112 -4.446 -1.563 5.612 1.00 4.22 C ATOM 1745 CG PHE A 112 -4.539 -2.559 4.453 1.00 41.11 C ATOM 1746 CD1 PHE A 112 -4.983 -3.870 4.660 1.00 44.23 C ATOM 1747 CD2 PHE A 112 -4.214 -2.176 3.151 1.00 53.43 C ATOM 1748 CE1 PHE A 112 -5.087 -4.755 3.607 1.00 62.53 C ATOM 1749 CE2 PHE A 112 -4.328 -3.067 2.107 1.00 41.51 C ATOM 1750 CZ PHE A 112 -4.762 -4.354 2.335 1.00 3.33 C ATOM 0 H PHE A 112 -1.543 -2.131 5.170 1.00 74.12 H new ATOM 0 HA PHE A 112 -3.209 -0.771 7.169 1.00 62.53 H new ATOM 0 HB2 PHE A 112 -5.276 -1.754 6.293 1.00 4.22 H new ATOM 0 HB3 PHE A 112 -4.588 -0.559 5.211 1.00 4.22 H new ATOM 0 HD1 PHE A 112 -5.247 -4.193 5.656 1.00 44.23 H new ATOM 0 HD2 PHE A 112 -3.869 -1.170 2.960 1.00 53.43 H new ATOM 0 HE1 PHE A 112 -5.425 -5.765 3.784 1.00 62.53 H new ATOM 0 HE2 PHE A 112 -4.076 -2.755 1.104 1.00 41.51 H new ATOM 0 HZ PHE A 112 -4.847 -5.048 1.512 1.00 3.33 H new ATOM 1760 N ARG A 113 -3.672 -3.028 8.289 1.00 60.43 N ATOM 1761 CA ARG A 113 -3.678 -4.240 9.112 1.00 72.22 C ATOM 1762 C ARG A 113 -5.120 -4.716 9.268 1.00 34.00 C ATOM 1763 O ARG A 113 -5.920 -4.046 9.907 1.00 32.01 O ATOM 1764 CB ARG A 113 -3.041 -3.937 10.495 1.00 3.51 C ATOM 1765 CG ARG A 113 -2.978 -5.158 11.439 1.00 4.50 C ATOM 1766 CD ARG A 113 -2.305 -4.852 12.786 1.00 32.41 C ATOM 1767 NE ARG A 113 -2.174 -6.065 13.613 1.00 13.11 N ATOM 1768 CZ ARG A 113 -1.565 -6.129 14.802 1.00 30.42 C ATOM 1769 NH1 ARG A 113 -1.010 -5.046 15.345 1.00 14.41 N ATOM 1770 NH2 ARG A 113 -1.504 -7.290 15.446 1.00 62.32 N ATOM 0 H ARG A 113 -4.277 -2.290 8.649 1.00 60.43 H new ATOM 0 HA ARG A 113 -3.092 -5.026 8.635 1.00 72.22 H new ATOM 0 HB2 ARG A 113 -2.031 -3.556 10.343 1.00 3.51 H new ATOM 0 HB3 ARG A 113 -3.611 -3.145 10.980 1.00 3.51 H new ATOM 0 HG2 ARG A 113 -3.990 -5.520 11.621 1.00 4.50 H new ATOM 0 HG3 ARG A 113 -2.435 -5.963 10.944 1.00 4.50 H new ATOM 0 HD2 ARG A 113 -1.319 -4.421 12.612 1.00 32.41 H new ATOM 0 HD3 ARG A 113 -2.889 -4.105 13.324 1.00 32.41 H new ATOM 0 HE ARG A 113 -2.581 -6.926 13.249 1.00 13.11 H new ATOM 0 HH11 ARG A 113 -1.046 -4.153 14.853 1.00 14.41 H new ATOM 0 HH12 ARG A 113 -0.549 -5.110 16.253 1.00 14.41 H new ATOM 0 HH21 ARG A 113 -1.920 -8.125 15.033 1.00 62.32 H new ATOM 0 HH22 ARG A 113 -1.041 -7.346 16.353 1.00 62.32 H new ATOM 1784 N ASP A 114 -5.439 -5.892 8.720 1.00 12.40 N ATOM 1785 CA ASP A 114 -6.816 -6.425 8.680 1.00 52.33 C ATOM 1786 C ASP A 114 -6.911 -7.675 9.584 1.00 14.53 C ATOM 1787 O ASP A 114 -6.001 -7.936 10.383 1.00 11.51 O ATOM 1788 CB ASP A 114 -7.224 -6.723 7.198 1.00 14.21 C ATOM 1789 CG ASP A 114 -6.213 -7.566 6.391 1.00 4.11 C ATOM 1790 OD1 ASP A 114 -5.576 -8.457 6.959 1.00 53.13 O ATOM 1791 OD2 ASP A 114 -6.087 -7.378 5.172 1.00 32.24 O ATOM 0 H ASP A 114 -4.751 -6.509 8.288 1.00 12.40 H new ATOM 0 HA ASP A 114 -7.520 -5.688 9.066 1.00 52.33 H new ATOM 0 HB2 ASP A 114 -8.183 -7.240 7.200 1.00 14.21 H new ATOM 0 HB3 ASP A 114 -7.374 -5.775 6.682 1.00 14.21 H new ATOM 1796 N LYS A 115 -8.005 -8.451 9.456 1.00 13.51 N ATOM 1797 CA LYS A 115 -8.232 -9.646 10.297 1.00 62.40 C ATOM 1798 C LYS A 115 -7.631 -10.907 9.668 1.00 62.10 C ATOM 1799 O LYS A 115 -7.489 -11.928 10.348 1.00 21.33 O ATOM 1800 CB LYS A 115 -9.740 -9.833 10.582 1.00 2.31 C ATOM 1801 CG LYS A 115 -10.410 -8.606 11.236 1.00 74.25 C ATOM 1802 CD LYS A 115 -9.791 -8.182 12.587 1.00 62.51 C ATOM 1803 CE LYS A 115 -9.940 -9.267 13.653 1.00 34.10 C ATOM 1804 NZ LYS A 115 -9.453 -8.830 14.984 1.00 63.24 N ATOM 0 H LYS A 115 -8.746 -8.273 8.778 1.00 13.51 H new ATOM 0 HA LYS A 115 -7.720 -9.484 11.245 1.00 62.40 H new ATOM 0 HB2 LYS A 115 -10.251 -10.058 9.646 1.00 2.31 H new ATOM 0 HB3 LYS A 115 -9.872 -10.697 11.233 1.00 2.31 H new ATOM 0 HG2 LYS A 115 -10.353 -7.765 10.545 1.00 74.25 H new ATOM 0 HG3 LYS A 115 -11.467 -8.823 11.387 1.00 74.25 H new ATOM 0 HD2 LYS A 115 -8.734 -7.956 12.446 1.00 62.51 H new ATOM 0 HD3 LYS A 115 -10.270 -7.266 12.933 1.00 62.51 H new ATOM 0 HE2 LYS A 115 -10.989 -9.554 13.730 1.00 34.10 H new ATOM 0 HE3 LYS A 115 -9.389 -10.155 13.342 1.00 34.10 H new ATOM 0 HZ1 LYS A 115 -9.369 -9.655 15.611 1.00 63.24 H new ATOM 0 HZ2 LYS A 115 -8.522 -8.377 14.882 1.00 63.24 H new ATOM 0 HZ3 LYS A 115 -10.125 -8.151 15.394 1.00 63.24 H new ATOM 1818 N THR A 116 -7.288 -10.839 8.365 1.00 64.21 N ATOM 1819 CA THR A 116 -6.519 -11.900 7.697 1.00 44.34 C ATOM 1820 C THR A 116 -5.038 -11.835 8.151 1.00 63.41 C ATOM 1821 O THR A 116 -4.357 -12.862 8.225 1.00 74.44 O ATOM 1822 CB THR A 116 -6.665 -11.821 6.116 1.00 40.23 C ATOM 1823 OG1 THR A 116 -7.017 -10.491 5.705 1.00 73.51 O ATOM 1824 CG2 THR A 116 -7.735 -12.775 5.570 1.00 54.12 C ATOM 0 H THR A 116 -7.534 -10.058 7.757 1.00 64.21 H new ATOM 0 HA THR A 116 -6.924 -12.868 7.992 1.00 44.34 H new ATOM 0 HB THR A 116 -5.694 -12.112 5.714 1.00 40.23 H new ATOM 0 HG1 THR A 116 -6.395 -9.849 6.107 1.00 73.51 H new ATOM 0 HG21 THR A 116 -7.790 -12.678 4.486 1.00 54.12 H new ATOM 0 HG22 THR A 116 -7.474 -13.801 5.829 1.00 54.12 H new ATOM 0 HG23 THR A 116 -8.702 -12.525 6.006 1.00 54.12 H new ATOM 1832 N THR A 117 -4.585 -10.615 8.517 1.00 13.53 N ATOM 1833 CA THR A 117 -3.237 -10.350 9.051 1.00 74.31 C ATOM 1834 C THR A 117 -3.087 -10.999 10.445 1.00 51.11 C ATOM 1835 O THR A 117 -4.005 -10.928 11.271 1.00 53.01 O ATOM 1836 CB THR A 117 -2.965 -8.798 9.121 1.00 34.03 C ATOM 1837 OG1 THR A 117 -2.805 -8.269 7.792 1.00 40.35 O ATOM 1838 CG2 THR A 117 -1.734 -8.418 9.963 1.00 55.14 C ATOM 0 H THR A 117 -5.159 -9.775 8.447 1.00 13.53 H new ATOM 0 HA THR A 117 -2.498 -10.790 8.381 1.00 74.31 H new ATOM 0 HB THR A 117 -3.834 -8.363 9.616 1.00 34.03 H new ATOM 0 HG1 THR A 117 -3.676 -8.242 7.344 1.00 40.35 H new ATOM 0 HG21 THR A 117 -1.613 -7.335 9.963 1.00 55.14 H new ATOM 0 HG22 THR A 117 -1.871 -8.768 10.986 1.00 55.14 H new ATOM 0 HG23 THR A 117 -0.844 -8.882 9.537 1.00 55.14 H new ATOM 1846 N GLY A 118 -1.936 -11.658 10.668 1.00 12.13 N ATOM 1847 CA GLY A 118 -1.645 -12.347 11.926 1.00 30.25 C ATOM 1848 C GLY A 118 -2.333 -13.709 12.067 1.00 61.42 C ATOM 1849 O GLY A 118 -2.106 -14.399 13.057 1.00 43.45 O ATOM 0 H GLY A 118 -1.187 -11.725 9.979 1.00 12.13 H new ATOM 0 HA2 GLY A 118 -0.567 -12.486 12.011 1.00 30.25 H new ATOM 0 HA3 GLY A 118 -1.951 -11.710 12.756 1.00 30.25 H new ATOM 1853 N GLN A 119 -3.177 -14.092 11.080 1.00 32.25 N ATOM 1854 CA GLN A 119 -4.006 -15.325 11.144 1.00 40.21 C ATOM 1855 C GLN A 119 -3.727 -16.235 9.934 1.00 61.12 C ATOM 1856 O GLN A 119 -3.202 -17.346 10.077 1.00 44.01 O ATOM 1857 CB GLN A 119 -5.522 -14.946 11.205 1.00 50.30 C ATOM 1858 CG GLN A 119 -5.967 -14.225 12.494 1.00 52.21 C ATOM 1859 CD GLN A 119 -5.708 -15.035 13.774 1.00 32.10 C ATOM 1860 OE1 GLN A 119 -6.526 -15.852 14.193 1.00 32.45 O ATOM 1861 NE2 GLN A 119 -4.582 -14.799 14.423 1.00 13.23 N ATOM 0 H GLN A 119 -3.304 -13.559 10.219 1.00 32.25 H new ATOM 0 HA GLN A 119 -3.742 -15.874 12.048 1.00 40.21 H new ATOM 0 HB2 GLN A 119 -5.755 -14.309 10.352 1.00 50.30 H new ATOM 0 HB3 GLN A 119 -6.112 -15.856 11.094 1.00 50.30 H new ATOM 0 HG2 GLN A 119 -5.444 -13.271 12.566 1.00 52.21 H new ATOM 0 HG3 GLN A 119 -7.031 -14.000 12.426 1.00 52.21 H new ATOM 0 HE21 GLN A 119 -3.917 -14.117 14.059 1.00 13.23 H new ATOM 0 HE22 GLN A 119 -4.378 -15.299 15.289 1.00 13.23 H new ATOM 1870 N GLN A 120 -4.099 -15.745 8.742 1.00 3.11 N ATOM 1871 CA GLN A 120 -3.859 -16.421 7.443 1.00 41.10 C ATOM 1872 C GLN A 120 -3.104 -15.458 6.495 1.00 35.01 C ATOM 1873 O GLN A 120 -3.195 -15.530 5.266 1.00 5.51 O ATOM 1874 CB GLN A 120 -5.211 -16.953 6.868 1.00 73.01 C ATOM 1875 CG GLN A 120 -6.453 -16.087 7.185 1.00 24.04 C ATOM 1876 CD GLN A 120 -7.779 -16.716 6.745 1.00 13.50 C ATOM 1877 OE1 GLN A 120 -7.907 -17.938 6.645 1.00 61.31 O ATOM 1878 NE2 GLN A 120 -8.797 -15.895 6.558 1.00 24.12 N ATOM 0 H GLN A 120 -4.584 -14.853 8.644 1.00 3.11 H new ATOM 0 HA GLN A 120 -3.220 -17.295 7.568 1.00 41.10 H new ATOM 0 HB2 GLN A 120 -5.117 -17.040 5.786 1.00 73.01 H new ATOM 0 HB3 GLN A 120 -5.381 -17.958 7.255 1.00 73.01 H new ATOM 0 HG2 GLN A 120 -6.489 -15.901 8.258 1.00 24.04 H new ATOM 0 HG3 GLN A 120 -6.342 -15.119 6.697 1.00 24.04 H new ATOM 0 HE21 GLN A 120 -8.663 -14.888 6.647 1.00 24.12 H new ATOM 0 HE22 GLN A 120 -9.717 -16.268 6.325 1.00 24.12 H new ATOM 1887 N SER A 121 -2.326 -14.588 7.148 1.00 31.53 N ATOM 1888 CA SER A 121 -1.376 -13.642 6.550 1.00 54.35 C ATOM 1889 C SER A 121 -0.426 -13.215 7.684 1.00 63.31 C ATOM 1890 O SER A 121 -0.775 -13.378 8.859 1.00 30.33 O ATOM 1891 CB SER A 121 -2.119 -12.431 5.925 1.00 2.41 C ATOM 1892 OG SER A 121 -1.227 -11.458 5.415 1.00 3.11 O ATOM 0 H SER A 121 -2.343 -14.521 8.166 1.00 31.53 H new ATOM 0 HA SER A 121 -0.815 -14.097 5.733 1.00 54.35 H new ATOM 0 HB2 SER A 121 -2.769 -12.781 5.123 1.00 2.41 H new ATOM 0 HB3 SER A 121 -2.761 -11.973 6.678 1.00 2.41 H new ATOM 0 HG SER A 121 -1.640 -10.572 5.476 1.00 3.11 H new ATOM 1898 N TYR A 122 0.772 -12.704 7.350 1.00 45.31 N ATOM 1899 CA TYR A 122 1.787 -12.330 8.360 1.00 3.32 C ATOM 1900 C TYR A 122 1.327 -11.095 9.150 1.00 21.22 C ATOM 1901 O TYR A 122 0.575 -10.266 8.622 1.00 4.21 O ATOM 1902 CB TYR A 122 3.170 -12.073 7.693 1.00 54.22 C ATOM 1903 CG TYR A 122 4.335 -11.810 8.672 1.00 71.34 C ATOM 1904 CD1 TYR A 122 4.750 -12.793 9.573 1.00 42.15 C ATOM 1905 CD2 TYR A 122 5.018 -10.589 8.695 1.00 34.33 C ATOM 1906 CE1 TYR A 122 5.787 -12.575 10.452 1.00 44.11 C ATOM 1907 CE2 TYR A 122 6.057 -10.367 9.580 1.00 52.44 C ATOM 1908 CZ TYR A 122 6.437 -11.366 10.453 1.00 52.35 C ATOM 1909 OH TYR A 122 7.472 -11.150 11.338 1.00 65.13 O ATOM 0 H TYR A 122 1.065 -12.539 6.387 1.00 45.31 H new ATOM 0 HA TYR A 122 1.900 -13.163 9.054 1.00 3.32 H new ATOM 0 HB2 TYR A 122 3.423 -12.935 7.076 1.00 54.22 H new ATOM 0 HB3 TYR A 122 3.079 -11.217 7.024 1.00 54.22 H new ATOM 0 HD1 TYR A 122 4.245 -13.748 9.580 1.00 42.15 H new ATOM 0 HD2 TYR A 122 4.729 -9.806 8.009 1.00 34.33 H new ATOM 0 HE1 TYR A 122 6.088 -13.353 11.138 1.00 44.11 H new ATOM 0 HE2 TYR A 122 6.569 -9.416 9.588 1.00 52.44 H new ATOM 0 HH TYR A 122 7.827 -10.246 11.211 1.00 65.13 H new ATOM 1919 N ASP A 123 1.807 -10.990 10.401 1.00 60.40 N ATOM 1920 CA ASP A 123 1.465 -9.881 11.303 1.00 3.30 C ATOM 1921 C ASP A 123 2.148 -8.572 10.847 1.00 31.34 C ATOM 1922 O ASP A 123 2.952 -8.564 9.900 1.00 52.33 O ATOM 1923 CB ASP A 123 1.806 -10.227 12.776 1.00 3.24 C ATOM 1924 CG ASP A 123 3.300 -10.485 13.029 1.00 63.32 C ATOM 1925 OD1 ASP A 123 3.758 -11.630 12.820 1.00 22.50 O ATOM 1926 OD2 ASP A 123 4.016 -9.555 13.455 1.00 62.32 O ATOM 0 H ASP A 123 2.443 -11.672 10.814 1.00 60.40 H new ATOM 0 HA ASP A 123 0.388 -9.724 11.254 1.00 3.30 H new ATOM 0 HB2 ASP A 123 1.476 -9.409 13.416 1.00 3.24 H new ATOM 0 HB3 ASP A 123 1.240 -11.111 13.071 1.00 3.24 H new ATOM 1931 N GLY A 124 1.823 -7.472 11.529 1.00 12.31 N ATOM 1932 CA GLY A 124 2.154 -6.136 11.048 1.00 11.44 C ATOM 1933 C GLY A 124 1.061 -5.665 10.113 1.00 31.04 C ATOM 1934 O GLY A 124 0.151 -4.958 10.534 1.00 62.50 O ATOM 0 H GLY A 124 1.328 -7.484 12.421 1.00 12.31 H new ATOM 0 HA2 GLY A 124 2.254 -5.448 11.887 1.00 11.44 H new ATOM 0 HA3 GLY A 124 3.113 -6.149 10.530 1.00 11.44 H new ATOM 1938 N GLY A 125 1.136 -6.096 8.845 1.00 32.35 N ATOM 1939 CA GLY A 125 0.058 -5.867 7.880 1.00 31.20 C ATOM 1940 C GLY A 125 0.483 -6.162 6.455 1.00 62.22 C ATOM 1941 O GLY A 125 1.517 -6.808 6.221 1.00 24.21 O ATOM 0 H GLY A 125 1.935 -6.605 8.467 1.00 32.35 H new ATOM 0 HA2 GLY A 125 -0.796 -6.493 8.138 1.00 31.20 H new ATOM 0 HA3 GLY A 125 -0.274 -4.831 7.950 1.00 31.20 H new ATOM 1945 N ARG A 126 -0.320 -5.673 5.497 1.00 32.44 N ATOM 1946 CA ARG A 126 -0.038 -5.739 4.052 1.00 23.41 C ATOM 1947 C ARG A 126 0.113 -4.297 3.565 1.00 0.42 C ATOM 1948 O ARG A 126 -0.730 -3.454 3.902 1.00 54.52 O ATOM 1949 CB ARG A 126 -1.205 -6.439 3.286 1.00 21.41 C ATOM 1950 CG ARG A 126 -1.554 -7.883 3.741 1.00 64.32 C ATOM 1951 CD ARG A 126 -0.465 -8.933 3.409 1.00 71.31 C ATOM 1952 NE ARG A 126 0.718 -8.844 4.292 1.00 13.31 N ATOM 1953 CZ ARG A 126 1.490 -9.873 4.680 1.00 53.34 C ATOM 1954 NH1 ARG A 126 1.250 -11.107 4.269 1.00 44.21 N ATOM 1955 NH2 ARG A 126 2.490 -9.648 5.522 1.00 74.22 N ATOM 0 H ARG A 126 -1.204 -5.210 5.709 1.00 32.44 H new ATOM 0 HA ARG A 126 0.866 -6.319 3.867 1.00 23.41 H new ATOM 0 HB2 ARG A 126 -2.099 -5.823 3.385 1.00 21.41 H new ATOM 0 HB3 ARG A 126 -0.952 -6.465 2.226 1.00 21.41 H new ATOM 0 HG2 ARG A 126 -1.725 -7.881 4.817 1.00 64.32 H new ATOM 0 HG3 ARG A 126 -2.489 -8.185 3.270 1.00 64.32 H new ATOM 0 HD2 ARG A 126 -0.896 -9.931 3.489 1.00 71.31 H new ATOM 0 HD3 ARG A 126 -0.148 -8.804 2.374 1.00 71.31 H new ATOM 0 HE ARG A 126 0.971 -7.918 4.638 1.00 13.31 H new ATOM 0 HH11 ARG A 126 0.465 -11.293 3.644 1.00 44.21 H new ATOM 0 HH12 ARG A 126 1.850 -11.873 4.577 1.00 44.21 H new ATOM 0 HH21 ARG A 126 2.664 -8.704 5.866 1.00 74.22 H new ATOM 0 HH22 ARG A 126 3.085 -10.419 5.825 1.00 74.22 H new ATOM 1969 N TYR A 127 1.166 -3.989 2.787 1.00 2.44 N ATOM 1970 CA TYR A 127 1.368 -2.620 2.289 1.00 44.01 C ATOM 1971 C TYR A 127 0.643 -2.456 0.949 1.00 61.32 C ATOM 1972 O TYR A 127 0.714 -3.326 0.074 1.00 32.24 O ATOM 1973 CB TYR A 127 2.876 -2.228 2.185 1.00 12.45 C ATOM 1974 CG TYR A 127 3.641 -2.777 0.964 1.00 71.34 C ATOM 1975 CD1 TYR A 127 4.031 -4.100 0.905 1.00 32.32 C ATOM 1976 CD2 TYR A 127 3.974 -1.955 -0.123 1.00 74.25 C ATOM 1977 CE1 TYR A 127 4.721 -4.594 -0.177 1.00 2.03 C ATOM 1978 CE2 TYR A 127 4.669 -2.449 -1.210 1.00 40.11 C ATOM 1979 CZ TYR A 127 5.039 -3.770 -1.232 1.00 65.25 C ATOM 1980 OH TYR A 127 5.736 -4.276 -2.314 1.00 30.44 O ATOM 0 H TYR A 127 1.878 -4.658 2.494 1.00 2.44 H new ATOM 0 HA TYR A 127 0.940 -1.929 3.015 1.00 44.01 H new ATOM 0 HB2 TYR A 127 2.947 -1.140 2.173 1.00 12.45 H new ATOM 0 HB3 TYR A 127 3.382 -2.570 3.088 1.00 12.45 H new ATOM 0 HD1 TYR A 127 3.789 -4.760 1.725 1.00 32.32 H new ATOM 0 HD2 TYR A 127 3.681 -0.916 -0.110 1.00 74.25 H new ATOM 0 HE1 TYR A 127 5.015 -5.633 -0.199 1.00 2.03 H new ATOM 0 HE2 TYR A 127 4.919 -1.800 -2.036 1.00 40.11 H new ATOM 0 HH TYR A 127 6.667 -3.973 -2.274 1.00 30.44 H new ATOM 1990 N MET A 128 -0.060 -1.345 0.825 1.00 44.03 N ATOM 1991 CA MET A 128 -0.810 -0.975 -0.372 1.00 32.54 C ATOM 1992 C MET A 128 -0.205 0.341 -0.871 1.00 60.11 C ATOM 1993 O MET A 128 0.136 1.201 -0.056 1.00 54.43 O ATOM 1994 CB MET A 128 -2.312 -0.844 0.011 1.00 14.42 C ATOM 1995 CG MET A 128 -3.300 -0.724 -1.154 1.00 22.01 C ATOM 1996 SD MET A 128 -3.249 0.888 -1.965 1.00 62.12 S ATOM 1997 CE MET A 128 -4.890 0.956 -2.671 1.00 61.42 C ATOM 0 H MET A 128 -0.130 -0.653 1.571 1.00 44.03 H new ATOM 0 HA MET A 128 -0.749 -1.717 -1.168 1.00 32.54 H new ATOM 0 HB2 MET A 128 -2.590 -1.713 0.608 1.00 14.42 H new ATOM 0 HB3 MET A 128 -2.427 0.032 0.650 1.00 14.42 H new ATOM 0 HG2 MET A 128 -3.083 -1.500 -1.888 1.00 22.01 H new ATOM 0 HG3 MET A 128 -4.310 -0.907 -0.786 1.00 22.01 H new ATOM 0 HE1 MET A 128 -4.821 0.906 -3.758 1.00 61.42 H new ATOM 0 HE2 MET A 128 -5.478 0.114 -2.306 1.00 61.42 H new ATOM 0 HE3 MET A 128 -5.373 1.889 -2.381 1.00 61.42 H new ATOM 2007 N GLU A 129 -0.016 0.489 -2.183 1.00 71.55 N ATOM 2008 CA GLU A 129 0.586 1.701 -2.753 1.00 24.34 C ATOM 2009 C GLU A 129 -0.323 2.251 -3.855 1.00 64.24 C ATOM 2010 O GLU A 129 -0.705 1.519 -4.774 1.00 55.04 O ATOM 2011 CB GLU A 129 2.004 1.397 -3.303 1.00 60.51 C ATOM 2012 CG GLU A 129 2.772 2.648 -3.793 1.00 53.42 C ATOM 2013 CD GLU A 129 4.147 2.320 -4.387 1.00 20.11 C ATOM 2014 OE1 GLU A 129 4.196 1.824 -5.529 1.00 23.12 O ATOM 2015 OE2 GLU A 129 5.178 2.529 -3.717 1.00 53.24 O ATOM 0 H GLU A 129 -0.271 -0.216 -2.875 1.00 71.55 H new ATOM 0 HA GLU A 129 0.688 2.454 -1.972 1.00 24.34 H new ATOM 0 HB2 GLU A 129 2.588 0.908 -2.523 1.00 60.51 H new ATOM 0 HB3 GLU A 129 1.918 0.690 -4.128 1.00 60.51 H new ATOM 0 HG2 GLU A 129 2.173 3.163 -4.544 1.00 53.42 H new ATOM 0 HG3 GLU A 129 2.899 3.338 -2.959 1.00 53.42 H new ATOM 2022 N LEU A 130 -0.671 3.540 -3.738 1.00 62.54 N ATOM 2023 CA LEU A 130 -1.451 4.267 -4.749 1.00 23.00 C ATOM 2024 C LEU A 130 -0.723 5.557 -5.128 1.00 51.32 C ATOM 2025 O LEU A 130 -0.030 6.169 -4.308 1.00 4.34 O ATOM 2026 CB LEU A 130 -2.933 4.553 -4.295 1.00 41.20 C ATOM 2027 CG LEU A 130 -3.231 4.675 -2.761 1.00 22.50 C ATOM 2028 CD1 LEU A 130 -2.523 5.871 -2.108 1.00 23.31 C ATOM 2029 CD2 LEU A 130 -4.748 4.750 -2.512 1.00 45.13 C ATOM 0 H LEU A 130 -0.417 4.112 -2.933 1.00 62.54 H new ATOM 0 HA LEU A 130 -1.531 3.627 -5.628 1.00 23.00 H new ATOM 0 HB2 LEU A 130 -3.253 5.480 -4.770 1.00 41.20 H new ATOM 0 HB3 LEU A 130 -3.562 3.757 -4.693 1.00 41.20 H new ATOM 0 HG LEU A 130 -2.830 3.777 -2.292 1.00 22.50 H new ATOM 0 HD11 LEU A 130 -2.767 5.903 -1.046 1.00 23.31 H new ATOM 0 HD12 LEU A 130 -1.445 5.766 -2.229 1.00 23.31 H new ATOM 0 HD13 LEU A 130 -2.853 6.794 -2.584 1.00 23.31 H new ATOM 0 HD21 LEU A 130 -4.937 4.834 -1.442 1.00 45.13 H new ATOM 0 HD22 LEU A 130 -5.158 5.621 -3.023 1.00 45.13 H new ATOM 0 HD23 LEU A 130 -5.225 3.847 -2.895 1.00 45.13 H new ATOM 2041 N GLU A 131 -0.901 5.945 -6.392 1.00 15.21 N ATOM 2042 CA GLU A 131 -0.328 7.156 -6.967 1.00 72.44 C ATOM 2043 C GLU A 131 -1.455 7.935 -7.658 1.00 21.11 C ATOM 2044 O GLU A 131 -1.856 7.573 -8.772 1.00 20.13 O ATOM 2045 CB GLU A 131 0.827 6.829 -7.960 1.00 62.14 C ATOM 2046 CG GLU A 131 2.018 6.088 -7.314 1.00 42.35 C ATOM 2047 CD GLU A 131 3.195 5.887 -8.276 1.00 4.52 C ATOM 2048 OE1 GLU A 131 3.217 4.872 -9.004 1.00 45.53 O ATOM 2049 OE2 GLU A 131 4.093 6.753 -8.316 1.00 64.31 O ATOM 0 H GLU A 131 -1.461 5.411 -7.057 1.00 15.21 H new ATOM 0 HA GLU A 131 0.112 7.764 -6.176 1.00 72.44 H new ATOM 0 HB2 GLU A 131 0.432 6.221 -8.774 1.00 62.14 H new ATOM 0 HB3 GLU A 131 1.187 7.758 -8.402 1.00 62.14 H new ATOM 0 HG2 GLU A 131 2.359 6.650 -6.444 1.00 42.35 H new ATOM 0 HG3 GLU A 131 1.681 5.116 -6.954 1.00 42.35 H new ATOM 2056 N PRO A 132 -2.032 8.984 -6.975 1.00 4.42 N ATOM 2057 CA PRO A 132 -3.108 9.827 -7.550 1.00 63.55 C ATOM 2058 C PRO A 132 -2.673 10.522 -8.850 1.00 74.31 C ATOM 2059 O PRO A 132 -1.481 10.767 -9.074 1.00 23.34 O ATOM 2060 CB PRO A 132 -3.394 10.869 -6.427 1.00 63.42 C ATOM 2061 CG PRO A 132 -2.160 10.861 -5.577 1.00 33.03 C ATOM 2062 CD PRO A 132 -1.692 9.426 -5.595 1.00 5.41 C ATOM 0 HA PRO A 132 -3.984 9.241 -7.829 1.00 63.55 H new ATOM 0 HB2 PRO A 132 -3.581 11.859 -6.844 1.00 63.42 H new ATOM 0 HB3 PRO A 132 -4.276 10.595 -5.848 1.00 63.42 H new ATOM 0 HG2 PRO A 132 -1.399 11.531 -5.977 1.00 33.03 H new ATOM 0 HG3 PRO A 132 -2.376 11.194 -4.562 1.00 33.03 H new ATOM 0 HD2 PRO A 132 -0.623 9.347 -5.397 1.00 5.41 H new ATOM 0 HD3 PRO A 132 -2.201 8.825 -4.841 1.00 5.41 H new ATOM 2070 N ASP A 133 -3.669 10.881 -9.665 1.00 44.33 N ATOM 2071 CA ASP A 133 -3.469 11.534 -10.975 1.00 72.14 C ATOM 2072 C ASP A 133 -2.913 12.969 -10.809 1.00 23.22 C ATOM 2073 O ASP A 133 -2.298 13.522 -11.726 1.00 62.14 O ATOM 2074 CB ASP A 133 -4.824 11.549 -11.740 1.00 5.33 C ATOM 2075 CG ASP A 133 -4.735 12.165 -13.152 1.00 71.21 C ATOM 2076 OD1 ASP A 133 -4.368 11.441 -14.103 1.00 33.41 O ATOM 2077 OD2 ASP A 133 -5.030 13.371 -13.317 1.00 55.33 O ATOM 0 H ASP A 133 -4.651 10.727 -9.437 1.00 44.33 H new ATOM 0 HA ASP A 133 -2.732 10.970 -11.547 1.00 72.14 H new ATOM 0 HB2 ASP A 133 -5.196 10.528 -11.822 1.00 5.33 H new ATOM 0 HB3 ASP A 133 -5.555 12.108 -11.155 1.00 5.33 H new ATOM 2082 N ARG A 134 -3.077 13.518 -9.593 1.00 64.34 N ATOM 2083 CA ARG A 134 -2.792 14.923 -9.259 1.00 42.41 C ATOM 2084 C ARG A 134 -2.471 15.044 -7.760 1.00 53.54 C ATOM 2085 O ARG A 134 -2.433 14.038 -7.038 1.00 35.34 O ATOM 2086 CB ARG A 134 -3.995 15.835 -9.693 1.00 23.13 C ATOM 2087 CG ARG A 134 -5.398 15.202 -9.514 1.00 60.12 C ATOM 2088 CD ARG A 134 -5.826 14.986 -8.038 1.00 52.01 C ATOM 2089 NE ARG A 134 -6.410 16.183 -7.416 1.00 2.31 N ATOM 2090 CZ ARG A 134 -7.594 16.731 -7.747 1.00 51.24 C ATOM 2091 NH1 ARG A 134 -8.359 16.212 -8.706 1.00 60.13 N ATOM 2092 NH2 ARG A 134 -8.025 17.785 -7.081 1.00 52.23 N ATOM 0 H ARG A 134 -3.420 12.983 -8.795 1.00 64.34 H new ATOM 0 HA ARG A 134 -1.916 15.267 -9.809 1.00 42.41 H new ATOM 0 HB2 ARG A 134 -3.955 16.760 -9.118 1.00 23.13 H new ATOM 0 HB3 ARG A 134 -3.866 16.105 -10.741 1.00 23.13 H new ATOM 0 HG2 ARG A 134 -6.135 15.840 -10.003 1.00 60.12 H new ATOM 0 HG3 ARG A 134 -5.417 14.241 -10.028 1.00 60.12 H new ATOM 0 HD2 ARG A 134 -6.550 14.173 -7.993 1.00 52.01 H new ATOM 0 HD3 ARG A 134 -4.958 14.672 -7.458 1.00 52.01 H new ATOM 0 HE ARG A 134 -5.875 16.635 -6.674 1.00 2.31 H new ATOM 0 HH11 ARG A 134 -8.052 15.380 -9.209 1.00 60.13 H new ATOM 0 HH12 ARG A 134 -9.252 16.647 -8.937 1.00 60.13 H new ATOM 0 HH21 ARG A 134 -7.463 18.175 -6.325 1.00 52.23 H new ATOM 0 HH22 ARG A 134 -8.921 18.209 -7.322 1.00 52.23 H new ATOM 2106 N ASP A 135 -2.239 16.276 -7.308 1.00 24.31 N ATOM 2107 CA ASP A 135 -1.950 16.573 -5.896 1.00 24.42 C ATOM 2108 C ASP A 135 -3.260 16.550 -5.093 1.00 45.32 C ATOM 2109 O ASP A 135 -4.255 17.150 -5.511 1.00 31.13 O ATOM 2110 CB ASP A 135 -1.241 17.947 -5.768 1.00 44.41 C ATOM 2111 CG ASP A 135 -0.952 18.347 -4.306 1.00 51.21 C ATOM 2112 OD1 ASP A 135 0.097 17.930 -3.767 1.00 75.43 O ATOM 2113 OD2 ASP A 135 -1.772 19.071 -3.687 1.00 23.15 O ATOM 0 H ASP A 135 -2.245 17.101 -7.908 1.00 24.31 H new ATOM 0 HA ASP A 135 -1.279 15.814 -5.494 1.00 24.42 H new ATOM 0 HB2 ASP A 135 -0.303 17.918 -6.322 1.00 44.41 H new ATOM 0 HB3 ASP A 135 -1.862 18.714 -6.232 1.00 44.41 H new ATOM 2118 N LEU A 136 -3.247 15.843 -3.953 1.00 72.15 N ATOM 2119 CA LEU A 136 -4.417 15.711 -3.070 1.00 13.14 C ATOM 2120 C LEU A 136 -4.386 16.791 -1.985 1.00 12.40 C ATOM 2121 O LEU A 136 -3.316 17.132 -1.472 1.00 61.24 O ATOM 2122 CB LEU A 136 -4.454 14.299 -2.431 1.00 35.31 C ATOM 2123 CG LEU A 136 -4.545 13.104 -3.430 1.00 43.24 C ATOM 2124 CD1 LEU A 136 -4.570 11.760 -2.678 1.00 70.12 C ATOM 2125 CD2 LEU A 136 -5.767 13.244 -4.370 1.00 13.21 C ATOM 0 H LEU A 136 -2.423 15.345 -3.616 1.00 72.15 H new ATOM 0 HA LEU A 136 -5.321 15.843 -3.665 1.00 13.14 H new ATOM 0 HB2 LEU A 136 -3.558 14.172 -1.823 1.00 35.31 H new ATOM 0 HB3 LEU A 136 -5.308 14.249 -1.755 1.00 35.31 H new ATOM 0 HG LEU A 136 -3.651 13.123 -4.054 1.00 43.24 H new ATOM 0 HD11 LEU A 136 -4.634 10.942 -3.396 1.00 70.12 H new ATOM 0 HD12 LEU A 136 -3.659 11.656 -2.089 1.00 70.12 H new ATOM 0 HD13 LEU A 136 -5.435 11.730 -2.016 1.00 70.12 H new ATOM 0 HD21 LEU A 136 -5.800 12.395 -5.053 1.00 13.21 H new ATOM 0 HD22 LEU A 136 -6.681 13.269 -3.777 1.00 13.21 H new ATOM 0 HD23 LEU A 136 -5.681 14.167 -4.943 1.00 13.21 H new ATOM 2137 N SER A 137 -5.568 17.327 -1.667 1.00 1.21 N ATOM 2138 CA SER A 137 -5.780 18.314 -0.587 1.00 25.20 C ATOM 2139 C SER A 137 -6.840 17.787 0.412 1.00 72.13 C ATOM 2140 O SER A 137 -7.370 16.683 0.233 1.00 12.00 O ATOM 2141 CB SER A 137 -6.204 19.660 -1.210 1.00 23.11 C ATOM 2142 OG SER A 137 -5.223 20.118 -2.128 1.00 71.42 O ATOM 0 H SER A 137 -6.428 17.086 -2.160 1.00 1.21 H new ATOM 0 HA SER A 137 -4.855 18.467 -0.032 1.00 25.20 H new ATOM 0 HB2 SER A 137 -7.161 19.545 -1.719 1.00 23.11 H new ATOM 0 HB3 SER A 137 -6.348 20.401 -0.424 1.00 23.11 H new ATOM 0 HG SER A 137 -5.510 20.972 -2.514 1.00 71.42 H new ATOM 2148 N ASP A 138 -7.113 18.555 1.485 1.00 21.51 N ATOM 2149 CA ASP A 138 -8.155 18.200 2.464 1.00 22.20 C ATOM 2150 C ASP A 138 -9.546 18.471 1.844 1.00 50.15 C ATOM 2151 O ASP A 138 -9.863 19.602 1.465 1.00 51.11 O ATOM 2152 CB ASP A 138 -7.959 18.955 3.816 1.00 74.14 C ATOM 2153 CG ASP A 138 -8.056 20.486 3.708 1.00 71.43 C ATOM 2154 OD1 ASP A 138 -7.128 21.109 3.162 1.00 22.02 O ATOM 2155 OD2 ASP A 138 -9.073 21.073 4.132 1.00 61.34 O ATOM 0 H ASP A 138 -6.625 19.426 1.694 1.00 21.51 H new ATOM 0 HA ASP A 138 -8.077 17.139 2.699 1.00 22.20 H new ATOM 0 HB2 ASP A 138 -8.708 18.605 4.526 1.00 74.14 H new ATOM 0 HB3 ASP A 138 -6.984 18.693 4.227 1.00 74.14 H new ATOM 2160 N GLY A 139 -10.331 17.398 1.674 1.00 34.43 N ATOM 2161 CA GLY A 139 -11.644 17.459 1.015 1.00 12.33 C ATOM 2162 C GLY A 139 -11.588 16.960 -0.426 1.00 43.51 C ATOM 2163 O GLY A 139 -12.600 16.977 -1.133 1.00 73.14 O ATOM 0 H GLY A 139 -10.074 16.463 1.989 1.00 34.43 H new ATOM 0 HA2 GLY A 139 -12.360 16.860 1.578 1.00 12.33 H new ATOM 0 HA3 GLY A 139 -12.008 18.486 1.028 1.00 12.33 H new ATOM 2167 N ASP A 140 -10.388 16.520 -0.857 1.00 41.11 N ATOM 2168 CA ASP A 140 -10.155 15.920 -2.191 1.00 21.11 C ATOM 2169 C ASP A 140 -10.563 14.431 -2.135 1.00 12.40 C ATOM 2170 O ASP A 140 -10.762 13.897 -1.047 1.00 4.01 O ATOM 2171 CB ASP A 140 -8.646 16.078 -2.559 1.00 70.13 C ATOM 2172 CG ASP A 140 -8.320 16.154 -4.064 1.00 61.53 C ATOM 2173 OD1 ASP A 140 -9.007 15.515 -4.887 1.00 21.31 O ATOM 2174 OD2 ASP A 140 -7.341 16.853 -4.422 1.00 20.13 O ATOM 0 H ASP A 140 -9.545 16.571 -0.285 1.00 41.11 H new ATOM 0 HA ASP A 140 -10.750 16.419 -2.956 1.00 21.11 H new ATOM 0 HB2 ASP A 140 -8.269 16.982 -2.080 1.00 70.13 H new ATOM 0 HB3 ASP A 140 -8.099 15.238 -2.131 1.00 70.13 H new ATOM 2179 N GLU A 141 -10.740 13.779 -3.287 1.00 30.32 N ATOM 2180 CA GLU A 141 -11.085 12.335 -3.350 1.00 61.43 C ATOM 2181 C GLU A 141 -9.873 11.458 -3.740 1.00 25.12 C ATOM 2182 O GLU A 141 -8.883 11.953 -4.282 1.00 63.41 O ATOM 2183 CB GLU A 141 -12.246 12.149 -4.358 1.00 40.41 C ATOM 2184 CG GLU A 141 -13.529 12.916 -3.966 1.00 43.25 C ATOM 2185 CD GLU A 141 -14.613 12.903 -5.052 1.00 73.24 C ATOM 2186 OE1 GLU A 141 -15.434 11.967 -5.080 1.00 61.44 O ATOM 2187 OE2 GLU A 141 -14.647 13.833 -5.887 1.00 3.54 O ATOM 0 H GLU A 141 -10.652 14.222 -4.201 1.00 30.32 H new ATOM 0 HA GLU A 141 -11.392 12.007 -2.357 1.00 61.43 H new ATOM 0 HB2 GLU A 141 -11.919 12.483 -5.343 1.00 40.41 H new ATOM 0 HB3 GLU A 141 -12.478 11.087 -4.442 1.00 40.41 H new ATOM 0 HG2 GLU A 141 -13.937 12.481 -3.053 1.00 43.25 H new ATOM 0 HG3 GLU A 141 -13.268 13.950 -3.738 1.00 43.25 H new ATOM 2194 N ILE A 142 -9.987 10.145 -3.453 1.00 62.43 N ATOM 2195 CA ILE A 142 -8.972 9.122 -3.786 1.00 44.32 C ATOM 2196 C ILE A 142 -9.657 7.728 -3.806 1.00 21.11 C ATOM 2197 O ILE A 142 -10.620 7.494 -3.072 1.00 41.52 O ATOM 2198 CB ILE A 142 -7.769 9.136 -2.758 1.00 42.01 C ATOM 2199 CG1 ILE A 142 -6.619 8.145 -3.162 1.00 52.12 C ATOM 2200 CG2 ILE A 142 -8.263 8.855 -1.318 1.00 73.41 C ATOM 2201 CD1 ILE A 142 -5.919 8.466 -4.482 1.00 51.35 C ATOM 0 H ILE A 142 -10.801 9.758 -2.975 1.00 62.43 H new ATOM 0 HA ILE A 142 -8.554 9.346 -4.767 1.00 44.32 H new ATOM 0 HB ILE A 142 -7.345 10.140 -2.787 1.00 42.01 H new ATOM 0 HG12 ILE A 142 -5.874 8.135 -2.367 1.00 52.12 H new ATOM 0 HG13 ILE A 142 -7.033 7.139 -3.224 1.00 52.12 H new ATOM 0 HG21 ILE A 142 -7.415 8.871 -0.633 1.00 73.41 H new ATOM 0 HG22 ILE A 142 -8.981 9.620 -1.024 1.00 73.41 H new ATOM 0 HG23 ILE A 142 -8.741 7.876 -1.282 1.00 73.41 H new ATOM 0 HD11 ILE A 142 -5.142 7.725 -4.672 1.00 51.35 H new ATOM 0 HD12 ILE A 142 -6.646 8.445 -5.294 1.00 51.35 H new ATOM 0 HD13 ILE A 142 -5.469 9.457 -4.423 1.00 51.35 H new ATOM 2213 N THR A 143 -9.167 6.823 -4.664 1.00 55.51 N ATOM 2214 CA THR A 143 -9.729 5.471 -4.831 1.00 63.00 C ATOM 2215 C THR A 143 -8.828 4.439 -4.112 1.00 3.53 C ATOM 2216 O THR A 143 -7.602 4.482 -4.254 1.00 31.25 O ATOM 2217 CB THR A 143 -9.859 5.146 -6.351 1.00 1.22 C ATOM 2218 OG1 THR A 143 -10.584 6.207 -7.003 1.00 14.43 O ATOM 2219 CG2 THR A 143 -10.589 3.826 -6.598 1.00 51.12 C ATOM 0 H THR A 143 -8.365 7.007 -5.266 1.00 55.51 H new ATOM 0 HA THR A 143 -10.722 5.424 -4.384 1.00 63.00 H new ATOM 0 HB THR A 143 -8.851 5.055 -6.756 1.00 1.22 H new ATOM 0 HG1 THR A 143 -10.666 6.008 -7.959 1.00 14.43 H new ATOM 0 HG21 THR A 143 -10.655 3.642 -7.670 1.00 51.12 H new ATOM 0 HG22 THR A 143 -10.040 3.012 -6.124 1.00 51.12 H new ATOM 0 HG23 THR A 143 -11.593 3.881 -6.177 1.00 51.12 H new ATOM 2227 N LEU A 144 -9.449 3.521 -3.336 1.00 23.22 N ATOM 2228 CA LEU A 144 -8.753 2.586 -2.420 1.00 65.42 C ATOM 2229 C LEU A 144 -9.104 1.132 -2.793 1.00 33.30 C ATOM 2230 O LEU A 144 -10.126 0.592 -2.353 1.00 23.13 O ATOM 2231 CB LEU A 144 -9.152 2.883 -0.928 1.00 51.43 C ATOM 2232 CG LEU A 144 -8.235 3.859 -0.122 1.00 70.43 C ATOM 2233 CD1 LEU A 144 -6.827 3.254 0.091 1.00 73.24 C ATOM 2234 CD2 LEU A 144 -8.157 5.246 -0.789 1.00 74.54 C ATOM 0 H LEU A 144 -10.463 3.407 -3.328 1.00 23.22 H new ATOM 0 HA LEU A 144 -7.677 2.726 -2.521 1.00 65.42 H new ATOM 0 HB2 LEU A 144 -10.163 3.289 -0.924 1.00 51.43 H new ATOM 0 HB3 LEU A 144 -9.187 1.934 -0.393 1.00 51.43 H new ATOM 0 HG LEU A 144 -8.688 3.999 0.860 1.00 70.43 H new ATOM 0 HD11 LEU A 144 -6.211 3.955 0.654 1.00 73.24 H new ATOM 0 HD12 LEU A 144 -6.913 2.319 0.645 1.00 73.24 H new ATOM 0 HD13 LEU A 144 -6.364 3.061 -0.877 1.00 73.24 H new ATOM 0 HD21 LEU A 144 -7.511 5.897 -0.200 1.00 74.54 H new ATOM 0 HD22 LEU A 144 -7.750 5.144 -1.795 1.00 74.54 H new ATOM 0 HD23 LEU A 144 -9.155 5.680 -0.844 1.00 74.54 H new ATOM 2246 N ASP A 145 -8.260 0.519 -3.629 1.00 13.45 N ATOM 2247 CA ASP A 145 -8.387 -0.897 -4.034 1.00 64.51 C ATOM 2248 C ASP A 145 -7.357 -1.738 -3.259 1.00 34.05 C ATOM 2249 O ASP A 145 -6.201 -1.869 -3.668 1.00 3.44 O ATOM 2250 CB ASP A 145 -8.237 -1.077 -5.590 1.00 55.31 C ATOM 2251 CG ASP A 145 -7.643 0.154 -6.297 1.00 54.33 C ATOM 2252 OD1 ASP A 145 -6.410 0.309 -6.316 1.00 44.55 O ATOM 2253 OD2 ASP A 145 -8.424 0.985 -6.810 1.00 41.21 O ATOM 0 H ASP A 145 -7.460 0.990 -4.051 1.00 13.45 H new ATOM 0 HA ASP A 145 -9.389 -1.247 -3.785 1.00 64.51 H new ATOM 0 HB2 ASP A 145 -7.603 -1.941 -5.788 1.00 55.31 H new ATOM 0 HB3 ASP A 145 -9.215 -1.295 -6.018 1.00 55.31 H new ATOM 2258 N PHE A 146 -7.809 -2.300 -2.119 1.00 12.11 N ATOM 2259 CA PHE A 146 -6.967 -3.113 -1.191 1.00 24.03 C ATOM 2260 C PHE A 146 -6.514 -4.427 -1.839 1.00 64.34 C ATOM 2261 O PHE A 146 -5.598 -5.095 -1.357 1.00 70.42 O ATOM 2262 CB PHE A 146 -7.757 -3.425 0.107 1.00 23.30 C ATOM 2263 CG PHE A 146 -8.512 -2.222 0.648 1.00 72.23 C ATOM 2264 CD1 PHE A 146 -7.848 -1.021 0.889 1.00 73.11 C ATOM 2265 CD2 PHE A 146 -9.890 -2.278 0.869 1.00 62.42 C ATOM 2266 CE1 PHE A 146 -8.533 0.076 1.338 1.00 54.41 C ATOM 2267 CE2 PHE A 146 -10.571 -1.171 1.317 1.00 22.14 C ATOM 2268 CZ PHE A 146 -9.892 0.004 1.550 1.00 31.42 C ATOM 0 H PHE A 146 -8.775 -2.207 -1.806 1.00 12.11 H new ATOM 0 HA PHE A 146 -6.079 -2.526 -0.955 1.00 24.03 H new ATOM 0 HB2 PHE A 146 -8.463 -4.232 -0.089 1.00 23.30 H new ATOM 0 HB3 PHE A 146 -7.065 -3.785 0.869 1.00 23.30 H new ATOM 0 HD1 PHE A 146 -6.783 -0.955 0.720 1.00 73.11 H new ATOM 0 HD2 PHE A 146 -10.425 -3.198 0.686 1.00 62.42 H new ATOM 0 HE1 PHE A 146 -8.007 1.000 1.526 1.00 54.41 H new ATOM 0 HE2 PHE A 146 -11.636 -1.223 1.486 1.00 22.14 H new ATOM 0 HZ PHE A 146 -10.428 0.874 1.901 1.00 31.42 H new ATOM 2278 N ASN A 147 -7.190 -4.773 -2.932 1.00 73.20 N ATOM 2279 CA ASN A 147 -6.912 -5.965 -3.727 1.00 33.42 C ATOM 2280 C ASN A 147 -5.598 -5.824 -4.514 1.00 5.21 C ATOM 2281 O ASN A 147 -5.116 -6.791 -5.101 1.00 60.44 O ATOM 2282 CB ASN A 147 -8.086 -6.233 -4.693 1.00 61.01 C ATOM 2283 CG ASN A 147 -9.444 -6.335 -3.996 1.00 75.25 C ATOM 2284 OD1 ASN A 147 -9.786 -5.530 -3.129 1.00 62.23 O ATOM 2285 ND2 ASN A 147 -10.204 -7.358 -4.325 1.00 73.14 N ATOM 0 H ASN A 147 -7.964 -4.219 -3.297 1.00 73.20 H new ATOM 0 HA ASN A 147 -6.801 -6.809 -3.046 1.00 33.42 H new ATOM 0 HB2 ASN A 147 -8.126 -5.433 -5.433 1.00 61.01 H new ATOM 0 HB3 ASN A 147 -7.895 -7.159 -5.235 1.00 61.01 H new ATOM 0 HD21 ASN A 147 -11.100 -7.499 -3.858 1.00 73.14 H new ATOM 0 HD22 ASN A 147 -9.897 -8.010 -5.047 1.00 73.14 H new ATOM 2292 N LEU A 148 -5.038 -4.603 -4.549 1.00 43.05 N ATOM 2293 CA LEU A 148 -3.739 -4.341 -5.187 1.00 61.40 C ATOM 2294 C LEU A 148 -2.636 -4.212 -4.117 1.00 3.25 C ATOM 2295 O LEU A 148 -1.565 -3.685 -4.396 1.00 12.32 O ATOM 2296 CB LEU A 148 -3.813 -3.065 -6.091 1.00 15.24 C ATOM 2297 CG LEU A 148 -5.000 -2.994 -7.123 1.00 62.51 C ATOM 2298 CD1 LEU A 148 -4.754 -1.904 -8.193 1.00 53.22 C ATOM 2299 CD2 LEU A 148 -5.294 -4.362 -7.780 1.00 2.44 C ATOM 0 H LEU A 148 -5.471 -3.776 -4.138 1.00 43.05 H new ATOM 0 HA LEU A 148 -3.487 -5.184 -5.831 1.00 61.40 H new ATOM 0 HB2 LEU A 148 -3.875 -2.192 -5.442 1.00 15.24 H new ATOM 0 HB3 LEU A 148 -2.877 -2.986 -6.644 1.00 15.24 H new ATOM 0 HG LEU A 148 -5.889 -2.717 -6.556 1.00 62.51 H new ATOM 0 HD11 LEU A 148 -5.592 -1.882 -8.889 1.00 53.22 H new ATOM 0 HD12 LEU A 148 -4.660 -0.933 -7.708 1.00 53.22 H new ATOM 0 HD13 LEU A 148 -3.836 -2.129 -8.737 1.00 53.22 H new ATOM 0 HD21 LEU A 148 -6.121 -4.258 -8.483 1.00 2.44 H new ATOM 0 HD22 LEU A 148 -4.408 -4.709 -8.311 1.00 2.44 H new ATOM 0 HD23 LEU A 148 -5.561 -5.086 -7.010 1.00 2.44 H new ATOM 2311 N ALA A 149 -2.906 -4.708 -2.889 1.00 54.32 N ATOM 2312 CA ALA A 149 -1.906 -4.732 -1.802 1.00 3.45 C ATOM 2313 C ALA A 149 -0.932 -5.896 -2.004 1.00 62.33 C ATOM 2314 O ALA A 149 -1.354 -7.010 -2.300 1.00 24.10 O ATOM 2315 CB ALA A 149 -2.574 -4.841 -0.431 1.00 22.43 C ATOM 0 H ALA A 149 -3.811 -5.098 -2.627 1.00 54.32 H new ATOM 0 HA ALA A 149 -1.355 -3.792 -1.835 1.00 3.45 H new ATOM 0 HB1 ALA A 149 -1.810 -4.856 0.346 1.00 22.43 H new ATOM 0 HB2 ALA A 149 -3.231 -3.985 -0.277 1.00 22.43 H new ATOM 0 HB3 ALA A 149 -3.158 -5.760 -0.383 1.00 22.43 H new ATOM 2321 N TYR A 150 0.351 -5.630 -1.754 1.00 73.21 N ATOM 2322 CA TYR A 150 1.461 -6.526 -2.138 1.00 14.43 C ATOM 2323 C TYR A 150 2.067 -7.194 -0.891 1.00 70.23 C ATOM 2324 O TYR A 150 1.859 -6.728 0.247 1.00 61.41 O ATOM 2325 CB TYR A 150 2.553 -5.729 -2.904 1.00 52.51 C ATOM 2326 CG TYR A 150 2.015 -4.658 -3.868 1.00 43.14 C ATOM 2327 CD1 TYR A 150 1.641 -4.974 -5.178 1.00 45.43 C ATOM 2328 CD2 TYR A 150 1.900 -3.318 -3.462 1.00 33.41 C ATOM 2329 CE1 TYR A 150 1.177 -3.996 -6.041 1.00 70.34 C ATOM 2330 CE2 TYR A 150 1.430 -2.345 -4.319 1.00 74.21 C ATOM 2331 CZ TYR A 150 1.076 -2.686 -5.607 1.00 60.34 C ATOM 2332 OH TYR A 150 0.639 -1.712 -6.473 1.00 5.25 O ATOM 0 H TYR A 150 0.659 -4.783 -1.276 1.00 73.21 H new ATOM 0 HA TYR A 150 1.069 -7.304 -2.793 1.00 14.43 H new ATOM 0 HB2 TYR A 150 3.208 -5.248 -2.178 1.00 52.51 H new ATOM 0 HB3 TYR A 150 3.166 -6.431 -3.469 1.00 52.51 H new ATOM 0 HD1 TYR A 150 1.715 -5.995 -5.521 1.00 45.43 H new ATOM 0 HD2 TYR A 150 2.186 -3.044 -2.457 1.00 33.41 H new ATOM 0 HE1 TYR A 150 0.894 -4.255 -7.051 1.00 70.34 H new ATOM 0 HE2 TYR A 150 1.340 -1.322 -3.983 1.00 74.21 H new ATOM 0 HH TYR A 150 0.624 -0.847 -6.012 1.00 5.25 H new ATOM 2342 N SER A 151 2.813 -8.285 -1.124 1.00 64.52 N ATOM 2343 CA SER A 151 3.569 -9.000 -0.089 1.00 52.43 C ATOM 2344 C SER A 151 4.770 -8.139 0.423 1.00 22.23 C ATOM 2345 O SER A 151 5.669 -7.818 -0.365 1.00 63.44 O ATOM 2346 CB SER A 151 4.044 -10.348 -0.683 1.00 72.44 C ATOM 2347 OG SER A 151 4.779 -10.165 -1.892 1.00 13.23 O ATOM 0 H SER A 151 2.908 -8.700 -2.051 1.00 64.52 H new ATOM 0 HA SER A 151 2.933 -9.189 0.776 1.00 52.43 H new ATOM 0 HB2 SER A 151 4.667 -10.867 0.046 1.00 72.44 H new ATOM 0 HB3 SER A 151 3.181 -10.985 -0.875 1.00 72.44 H new ATOM 0 HG SER A 151 5.282 -9.325 -1.845 1.00 13.23 H new ATOM 2353 N PRO A 152 4.774 -7.727 1.744 1.00 42.43 N ATOM 2354 CA PRO A 152 5.779 -6.784 2.321 1.00 40.32 C ATOM 2355 C PRO A 152 7.217 -7.306 2.291 1.00 15.32 C ATOM 2356 O PRO A 152 7.459 -8.474 2.627 1.00 21.22 O ATOM 2357 CB PRO A 152 5.292 -6.572 3.786 1.00 63.45 C ATOM 2358 CG PRO A 152 3.858 -7.001 3.772 1.00 54.41 C ATOM 2359 CD PRO A 152 3.802 -8.138 2.777 1.00 3.43 C ATOM 0 HA PRO A 152 5.829 -5.866 1.735 1.00 40.32 H new ATOM 0 HB2 PRO A 152 5.877 -7.166 4.488 1.00 63.45 H new ATOM 0 HB3 PRO A 152 5.391 -5.530 4.090 1.00 63.45 H new ATOM 0 HG2 PRO A 152 3.533 -7.325 4.761 1.00 54.41 H new ATOM 0 HG3 PRO A 152 3.203 -6.182 3.473 1.00 54.41 H new ATOM 0 HD2 PRO A 152 4.078 -9.088 3.235 1.00 3.43 H new ATOM 0 HD3 PRO A 152 2.802 -8.262 2.363 1.00 3.43 H new ATOM 2367 N PHE A 153 8.144 -6.419 1.876 1.00 52.35 N ATOM 2368 CA PHE A 153 9.601 -6.645 1.891 1.00 2.23 C ATOM 2369 C PHE A 153 10.087 -7.271 3.218 1.00 43.12 C ATOM 2370 O PHE A 153 10.701 -8.351 3.218 1.00 44.53 O ATOM 2371 CB PHE A 153 10.365 -5.301 1.660 1.00 44.32 C ATOM 2372 CG PHE A 153 9.809 -4.386 0.562 1.00 61.54 C ATOM 2373 CD1 PHE A 153 10.232 -4.510 -0.757 1.00 62.35 C ATOM 2374 CD2 PHE A 153 8.872 -3.390 0.860 1.00 22.34 C ATOM 2375 CE1 PHE A 153 9.742 -3.682 -1.739 1.00 75.44 C ATOM 2376 CE2 PHE A 153 8.384 -2.556 -0.127 1.00 74.41 C ATOM 2377 CZ PHE A 153 8.818 -2.704 -1.429 1.00 3.43 C ATOM 0 H PHE A 153 7.891 -5.501 1.511 1.00 52.35 H new ATOM 0 HA PHE A 153 9.814 -7.346 1.084 1.00 2.23 H new ATOM 0 HB2 PHE A 153 10.372 -4.745 2.598 1.00 44.32 H new ATOM 0 HB3 PHE A 153 11.402 -5.534 1.419 1.00 44.32 H new ATOM 0 HD1 PHE A 153 10.957 -5.268 -1.014 1.00 62.35 H new ATOM 0 HD2 PHE A 153 8.526 -3.272 1.876 1.00 22.34 H new ATOM 0 HE1 PHE A 153 10.081 -3.797 -2.758 1.00 75.44 H new ATOM 0 HE2 PHE A 153 7.664 -1.790 0.119 1.00 74.41 H new ATOM 0 HZ PHE A 153 8.436 -2.056 -2.204 1.00 3.43 H new ATOM 2387 N CYS A 154 9.757 -6.592 4.340 1.00 13.35 N ATOM 2388 CA CYS A 154 10.217 -6.978 5.679 1.00 1.43 C ATOM 2389 C CYS A 154 9.694 -8.341 6.120 1.00 23.51 C ATOM 2390 O CYS A 154 10.409 -9.067 6.811 1.00 61.44 O ATOM 2391 CB CYS A 154 9.823 -5.928 6.726 1.00 33.50 C ATOM 2392 SG CYS A 154 10.516 -6.264 8.359 1.00 71.14 S ATOM 0 H CYS A 154 9.164 -5.762 4.335 1.00 13.35 H new ATOM 0 HA CYS A 154 11.303 -7.042 5.609 1.00 1.43 H new ATOM 0 HB2 CYS A 154 10.157 -4.946 6.391 1.00 33.50 H new ATOM 0 HB3 CYS A 154 8.736 -5.887 6.800 1.00 33.50 H new ATOM 0 HG CYS A 154 10.779 -7.533 8.466 1.00 71.14 H new ATOM 2398 N ALA A 155 8.445 -8.681 5.724 1.00 44.10 N ATOM 2399 CA ALA A 155 7.807 -9.970 6.081 1.00 5.33 C ATOM 2400 C ALA A 155 8.729 -11.161 5.769 1.00 33.12 C ATOM 2401 O ALA A 155 8.976 -12.007 6.628 1.00 3.10 O ATOM 2402 CB ALA A 155 6.459 -10.122 5.355 1.00 55.20 C ATOM 0 H ALA A 155 7.856 -8.075 5.153 1.00 44.10 H new ATOM 0 HA ALA A 155 7.626 -9.966 7.156 1.00 5.33 H new ATOM 0 HB1 ALA A 155 6.004 -11.074 5.628 1.00 55.20 H new ATOM 0 HB2 ALA A 155 5.796 -9.307 5.644 1.00 55.20 H new ATOM 0 HB3 ALA A 155 6.621 -10.093 4.277 1.00 55.20 H new ATOM 2408 N TYR A 156 9.277 -11.160 4.550 1.00 74.12 N ATOM 2409 CA TYR A 156 10.164 -12.230 4.064 1.00 3.35 C ATOM 2410 C TYR A 156 11.631 -12.009 4.484 1.00 42.41 C ATOM 2411 O TYR A 156 12.421 -12.956 4.485 1.00 52.01 O ATOM 2412 CB TYR A 156 10.060 -12.326 2.529 1.00 1.42 C ATOM 2413 CG TYR A 156 8.646 -12.652 2.035 1.00 32.34 C ATOM 2414 CD1 TYR A 156 7.735 -11.633 1.758 1.00 73.41 C ATOM 2415 CD2 TYR A 156 8.218 -13.973 1.861 1.00 71.30 C ATOM 2416 CE1 TYR A 156 6.463 -11.915 1.328 1.00 35.13 C ATOM 2417 CE2 TYR A 156 6.936 -14.257 1.424 1.00 54.22 C ATOM 2418 CZ TYR A 156 6.063 -13.222 1.158 1.00 51.33 C ATOM 2419 OH TYR A 156 4.784 -13.490 0.722 1.00 11.44 O ATOM 0 H TYR A 156 9.120 -10.417 3.869 1.00 74.12 H new ATOM 0 HA TYR A 156 9.838 -13.165 4.519 1.00 3.35 H new ATOM 0 HB2 TYR A 156 10.382 -11.381 2.090 1.00 1.42 H new ATOM 0 HB3 TYR A 156 10.747 -13.093 2.173 1.00 1.42 H new ATOM 0 HD1 TYR A 156 8.036 -10.604 1.884 1.00 73.41 H new ATOM 0 HD2 TYR A 156 8.899 -14.784 2.071 1.00 71.30 H new ATOM 0 HE1 TYR A 156 5.773 -11.110 1.122 1.00 35.13 H new ATOM 0 HE2 TYR A 156 6.621 -15.282 1.292 1.00 54.22 H new ATOM 0 HH TYR A 156 4.659 -14.459 0.652 1.00 11.44 H new ATOM 2429 N SER A 157 12.001 -10.763 4.839 1.00 13.21 N ATOM 2430 CA SER A 157 13.399 -10.399 5.140 1.00 44.34 C ATOM 2431 C SER A 157 13.548 -9.783 6.546 1.00 74.13 C ATOM 2432 O SER A 157 13.117 -8.646 6.789 1.00 75.01 O ATOM 2433 CB SER A 157 13.913 -9.435 4.067 1.00 65.35 C ATOM 2434 OG SER A 157 13.963 -10.040 2.795 1.00 30.33 O ATOM 0 H SER A 157 11.345 -9.987 4.925 1.00 13.21 H new ATOM 0 HA SER A 157 13.998 -11.309 5.132 1.00 44.34 H new ATOM 0 HB2 SER A 157 13.266 -8.559 4.027 1.00 65.35 H new ATOM 0 HB3 SER A 157 14.908 -9.084 4.341 1.00 65.35 H new ATOM 0 HG SER A 157 13.135 -10.541 2.638 1.00 30.33 H new ATOM 2440 N ASP A 158 14.222 -10.529 7.440 1.00 41.24 N ATOM 2441 CA ASP A 158 14.387 -10.164 8.863 1.00 75.14 C ATOM 2442 C ASP A 158 15.281 -8.921 9.052 1.00 73.25 C ATOM 2443 O ASP A 158 15.141 -8.210 10.048 1.00 62.11 O ATOM 2444 CB ASP A 158 14.961 -11.364 9.672 1.00 31.33 C ATOM 2445 CG ASP A 158 16.399 -11.760 9.263 1.00 0.54 C ATOM 2446 OD1 ASP A 158 16.563 -12.552 8.316 1.00 42.10 O ATOM 2447 OD2 ASP A 158 17.373 -11.273 9.881 1.00 12.34 O ATOM 0 H ASP A 158 14.672 -11.411 7.195 1.00 41.24 H new ATOM 0 HA ASP A 158 13.396 -9.913 9.242 1.00 75.14 H new ATOM 0 HB2 ASP A 158 14.951 -11.113 10.733 1.00 31.33 H new ATOM 0 HB3 ASP A 158 14.306 -12.225 9.541 1.00 31.33 H new ATOM 2452 N THR A 159 16.191 -8.660 8.086 1.00 61.43 N ATOM 2453 CA THR A 159 17.146 -7.532 8.165 1.00 3.41 C ATOM 2454 C THR A 159 16.463 -6.165 7.900 1.00 71.33 C ATOM 2455 O THR A 159 17.095 -5.120 8.057 1.00 4.33 O ATOM 2456 CB THR A 159 18.354 -7.737 7.185 1.00 72.54 C ATOM 2457 OG1 THR A 159 19.354 -6.714 7.376 1.00 14.44 O ATOM 2458 CG2 THR A 159 17.912 -7.737 5.715 1.00 32.51 C ATOM 0 H THR A 159 16.284 -9.219 7.238 1.00 61.43 H new ATOM 0 HA THR A 159 17.526 -7.518 9.187 1.00 3.41 H new ATOM 0 HB THR A 159 18.779 -8.713 7.418 1.00 72.54 H new ATOM 0 HG1 THR A 159 18.918 -5.872 7.625 1.00 14.44 H new ATOM 0 HG21 THR A 159 18.781 -7.882 5.074 1.00 32.51 H new ATOM 0 HG22 THR A 159 17.200 -8.545 5.549 1.00 32.51 H new ATOM 0 HG23 THR A 159 17.440 -6.784 5.477 1.00 32.51 H new ATOM 2466 N PHE A 160 15.169 -6.183 7.517 1.00 14.24 N ATOM 2467 CA PHE A 160 14.369 -4.955 7.316 1.00 64.12 C ATOM 2468 C PHE A 160 13.611 -4.650 8.623 1.00 10.33 C ATOM 2469 O PHE A 160 13.301 -5.570 9.399 1.00 51.11 O ATOM 2470 CB PHE A 160 13.341 -5.127 6.160 1.00 32.24 C ATOM 2471 CG PHE A 160 13.902 -5.239 4.735 1.00 41.42 C ATOM 2472 CD1 PHE A 160 14.812 -6.228 4.390 1.00 33.31 C ATOM 2473 CD2 PHE A 160 13.482 -4.367 3.728 1.00 61.43 C ATOM 2474 CE1 PHE A 160 15.293 -6.340 3.095 1.00 2.24 C ATOM 2475 CE2 PHE A 160 13.956 -4.484 2.440 1.00 35.50 C ATOM 2476 CZ PHE A 160 14.860 -5.472 2.121 1.00 51.41 C ATOM 0 H PHE A 160 14.651 -7.044 7.339 1.00 14.24 H new ATOM 0 HA PHE A 160 15.041 -4.139 7.051 1.00 64.12 H new ATOM 0 HB2 PHE A 160 12.751 -6.021 6.362 1.00 32.24 H new ATOM 0 HB3 PHE A 160 12.656 -4.280 6.188 1.00 32.24 H new ATOM 0 HD1 PHE A 160 15.152 -6.923 5.144 1.00 33.31 H new ATOM 0 HD2 PHE A 160 12.773 -3.587 3.963 1.00 61.43 H new ATOM 0 HE1 PHE A 160 16.009 -7.111 2.851 1.00 2.24 H new ATOM 0 HE2 PHE A 160 13.617 -3.798 1.678 1.00 35.50 H new ATOM 0 HZ PHE A 160 15.227 -5.565 1.110 1.00 51.41 H new ATOM 2486 N SER A 161 13.312 -3.369 8.859 1.00 32.43 N ATOM 2487 CA SER A 161 12.538 -2.920 10.029 1.00 44.13 C ATOM 2488 C SER A 161 11.085 -2.693 9.591 1.00 24.34 C ATOM 2489 O SER A 161 10.818 -1.743 8.856 1.00 40.53 O ATOM 2490 CB SER A 161 13.157 -1.620 10.587 1.00 3.42 C ATOM 2491 OG SER A 161 12.477 -1.157 11.742 1.00 45.51 O ATOM 0 H SER A 161 13.600 -2.608 8.244 1.00 32.43 H new ATOM 0 HA SER A 161 12.561 -3.672 10.818 1.00 44.13 H new ATOM 0 HB2 SER A 161 14.205 -1.794 10.830 1.00 3.42 H new ATOM 0 HB3 SER A 161 13.131 -0.848 9.818 1.00 3.42 H new ATOM 0 HG SER A 161 12.990 -0.432 12.155 1.00 45.51 H new ATOM 2497 N CYS A 162 10.151 -3.545 10.070 1.00 61.21 N ATOM 2498 CA CYS A 162 8.783 -3.643 9.524 1.00 23.13 C ATOM 2499 C CYS A 162 7.996 -2.327 9.690 1.00 32.22 C ATOM 2500 O CYS A 162 8.141 -1.657 10.719 1.00 11.25 O ATOM 2501 CB CYS A 162 8.034 -4.817 10.207 1.00 22.34 C ATOM 2502 SG CYS A 162 8.013 -4.741 12.013 1.00 55.41 S ATOM 0 H CYS A 162 10.327 -4.183 10.846 1.00 61.21 H new ATOM 0 HA CYS A 162 8.861 -3.833 8.453 1.00 23.13 H new ATOM 0 HB2 CYS A 162 7.006 -4.836 9.845 1.00 22.34 H new ATOM 0 HB3 CYS A 162 8.497 -5.755 9.900 1.00 22.34 H new ATOM 0 HG CYS A 162 7.362 -5.764 12.483 1.00 55.41 H new ATOM 2508 N PRO A 163 7.160 -1.928 8.667 1.00 12.55 N ATOM 2509 CA PRO A 163 6.312 -0.724 8.762 1.00 42.00 C ATOM 2510 C PRO A 163 5.322 -0.844 9.927 1.00 41.22 C ATOM 2511 O PRO A 163 4.758 -1.919 10.142 1.00 61.43 O ATOM 2512 CB PRO A 163 5.562 -0.677 7.396 1.00 50.31 C ATOM 2513 CG PRO A 163 6.369 -1.540 6.481 1.00 43.22 C ATOM 2514 CD PRO A 163 6.966 -2.619 7.362 1.00 12.35 C ATOM 0 HA PRO A 163 6.890 0.181 8.951 1.00 42.00 H new ATOM 0 HB2 PRO A 163 4.542 -1.050 7.493 1.00 50.31 H new ATOM 0 HB3 PRO A 163 5.494 0.343 7.018 1.00 50.31 H new ATOM 0 HG2 PRO A 163 5.745 -1.973 5.699 1.00 43.22 H new ATOM 0 HG3 PRO A 163 7.149 -0.963 5.984 1.00 43.22 H new ATOM 0 HD2 PRO A 163 6.299 -3.476 7.456 1.00 12.35 H new ATOM 0 HD3 PRO A 163 7.908 -2.991 6.960 1.00 12.35 H new ATOM 2522 N LEU A 164 5.112 0.254 10.659 1.00 2.54 N ATOM 2523 CA LEU A 164 4.195 0.302 11.797 1.00 24.34 C ATOM 2524 C LEU A 164 2.866 0.915 11.314 1.00 33.43 C ATOM 2525 O LEU A 164 2.809 2.130 11.066 1.00 40.01 O ATOM 2526 CB LEU A 164 4.810 1.159 12.939 1.00 12.30 C ATOM 2527 CG LEU A 164 3.955 1.290 14.246 1.00 5.25 C ATOM 2528 CD1 LEU A 164 3.702 -0.088 14.901 1.00 44.23 C ATOM 2529 CD2 LEU A 164 4.617 2.276 15.237 1.00 32.32 C ATOM 0 H LEU A 164 5.579 1.142 10.475 1.00 2.54 H new ATOM 0 HA LEU A 164 4.020 -0.700 12.188 1.00 24.34 H new ATOM 0 HB2 LEU A 164 5.777 0.732 13.204 1.00 12.30 H new ATOM 0 HB3 LEU A 164 4.999 2.160 12.552 1.00 12.30 H new ATOM 0 HG LEU A 164 2.982 1.695 13.969 1.00 5.25 H new ATOM 0 HD11 LEU A 164 3.106 0.042 15.804 1.00 44.23 H new ATOM 0 HD12 LEU A 164 3.166 -0.730 14.202 1.00 44.23 H new ATOM 0 HD13 LEU A 164 4.656 -0.549 15.159 1.00 44.23 H new ATOM 0 HD21 LEU A 164 4.007 2.352 16.137 1.00 32.32 H new ATOM 0 HD22 LEU A 164 5.610 1.914 15.502 1.00 32.32 H new ATOM 0 HD23 LEU A 164 4.701 3.258 14.772 1.00 32.32 H new ATOM 2541 N PRO A 165 1.792 0.086 11.107 1.00 2.43 N ATOM 2542 CA PRO A 165 0.474 0.610 10.730 1.00 24.32 C ATOM 2543 C PRO A 165 -0.211 1.268 11.957 1.00 24.24 C ATOM 2544 O PRO A 165 -0.369 0.612 12.996 1.00 10.23 O ATOM 2545 CB PRO A 165 -0.273 -0.652 10.232 1.00 75.51 C ATOM 2546 CG PRO A 165 0.334 -1.787 10.995 1.00 62.42 C ATOM 2547 CD PRO A 165 1.786 -1.406 11.228 1.00 24.54 C ATOM 0 HA PRO A 165 0.501 1.392 9.971 1.00 24.32 H new ATOM 0 HB2 PRO A 165 -1.344 -0.577 10.421 1.00 75.51 H new ATOM 0 HB3 PRO A 165 -0.148 -0.787 9.158 1.00 75.51 H new ATOM 0 HG2 PRO A 165 -0.185 -1.943 11.941 1.00 62.42 H new ATOM 0 HG3 PRO A 165 0.260 -2.718 10.433 1.00 62.42 H new ATOM 0 HD2 PRO A 165 2.131 -1.728 12.211 1.00 24.54 H new ATOM 0 HD3 PRO A 165 2.443 -1.869 10.492 1.00 24.54 H new ATOM 2555 N PRO A 166 -0.608 2.586 11.865 1.00 63.45 N ATOM 2556 CA PRO A 166 -1.262 3.308 12.991 1.00 55.20 C ATOM 2557 C PRO A 166 -2.585 2.632 13.405 1.00 44.23 C ATOM 2558 O PRO A 166 -3.252 2.030 12.578 1.00 40.01 O ATOM 2559 CB PRO A 166 -1.486 4.741 12.427 1.00 61.33 C ATOM 2560 CG PRO A 166 -1.424 4.589 10.934 1.00 52.02 C ATOM 2561 CD PRO A 166 -0.446 3.466 10.673 1.00 23.34 C ATOM 0 HA PRO A 166 -0.661 3.311 13.900 1.00 55.20 H new ATOM 0 HB2 PRO A 166 -2.449 5.143 12.743 1.00 61.33 H new ATOM 0 HB3 PRO A 166 -0.721 5.430 12.785 1.00 61.33 H new ATOM 0 HG2 PRO A 166 -2.406 4.355 10.524 1.00 52.02 H new ATOM 0 HG3 PRO A 166 -1.093 5.513 10.461 1.00 52.02 H new ATOM 0 HD2 PRO A 166 -0.678 2.937 9.748 1.00 23.34 H new ATOM 0 HD3 PRO A 166 0.575 3.835 10.581 1.00 23.34 H new ATOM 2569 N GLU A 167 -2.950 2.740 14.689 1.00 25.31 N ATOM 2570 CA GLU A 167 -4.132 2.055 15.265 1.00 51.25 C ATOM 2571 C GLU A 167 -5.445 2.416 14.528 1.00 64.24 C ATOM 2572 O GLU A 167 -6.391 1.621 14.494 1.00 55.12 O ATOM 2573 CB GLU A 167 -4.240 2.385 16.774 1.00 22.02 C ATOM 2574 CG GLU A 167 -3.022 1.934 17.607 1.00 70.24 C ATOM 2575 CD GLU A 167 -3.110 2.366 19.077 1.00 32.11 C ATOM 2576 OE1 GLU A 167 -3.778 1.678 19.872 1.00 12.01 O ATOM 2577 OE2 GLU A 167 -2.529 3.408 19.440 1.00 3.33 O ATOM 0 H GLU A 167 -2.437 3.305 15.366 1.00 25.31 H new ATOM 0 HA GLU A 167 -3.990 0.982 15.135 1.00 51.25 H new ATOM 0 HB2 GLU A 167 -4.368 3.461 16.891 1.00 22.02 H new ATOM 0 HB3 GLU A 167 -5.136 1.912 17.175 1.00 22.02 H new ATOM 0 HG2 GLU A 167 -2.936 0.849 17.557 1.00 70.24 H new ATOM 0 HG3 GLU A 167 -2.114 2.346 17.166 1.00 70.24 H new ATOM 2584 N SER A 168 -5.466 3.613 13.923 1.00 71.02 N ATOM 2585 CA SER A 168 -6.617 4.134 13.159 1.00 24.25 C ATOM 2586 C SER A 168 -6.864 3.368 11.830 1.00 45.25 C ATOM 2587 O SER A 168 -8.001 3.329 11.337 1.00 63.15 O ATOM 2588 CB SER A 168 -6.381 5.630 12.871 1.00 4.14 C ATOM 2589 OG SER A 168 -6.020 6.330 14.052 1.00 52.44 O ATOM 0 H SER A 168 -4.676 4.257 13.949 1.00 71.02 H new ATOM 0 HA SER A 168 -7.511 3.990 13.765 1.00 24.25 H new ATOM 0 HB2 SER A 168 -5.594 5.740 12.125 1.00 4.14 H new ATOM 0 HB3 SER A 168 -7.285 6.068 12.447 1.00 4.14 H new ATOM 0 HG SER A 168 -5.875 7.276 13.840 1.00 52.44 H new ATOM 2595 N ASN A 169 -5.803 2.731 11.277 1.00 73.22 N ATOM 2596 CA ASN A 169 -5.857 2.096 9.935 1.00 34.34 C ATOM 2597 C ASN A 169 -6.140 0.586 10.041 1.00 61.34 C ATOM 2598 O ASN A 169 -6.186 -0.117 9.021 1.00 34.44 O ATOM 2599 CB ASN A 169 -4.544 2.393 9.129 1.00 11.10 C ATOM 2600 CG ASN A 169 -3.370 1.417 9.350 1.00 75.01 C ATOM 2601 OD1 ASN A 169 -3.245 0.740 10.361 1.00 64.03 O ATOM 2602 ND2 ASN A 169 -2.474 1.354 8.393 1.00 72.52 N ATOM 0 H ASN A 169 -4.898 2.643 11.739 1.00 73.22 H new ATOM 0 HA ASN A 169 -6.688 2.535 9.382 1.00 34.34 H new ATOM 0 HB2 ASN A 169 -4.789 2.399 8.067 1.00 11.10 H new ATOM 0 HB3 ASN A 169 -4.206 3.398 9.384 1.00 11.10 H new ATOM 0 HD21 ASN A 169 -1.667 0.738 8.490 1.00 72.52 H new ATOM 0 HD22 ASN A 169 -2.585 1.921 7.553 1.00 72.52 H new ATOM 2609 N TRP A 170 -6.318 0.102 11.286 1.00 64.32 N ATOM 2610 CA TRP A 170 -6.609 -1.307 11.557 1.00 54.51 C ATOM 2611 C TRP A 170 -8.056 -1.619 11.126 1.00 12.32 C ATOM 2612 O TRP A 170 -9.014 -1.126 11.732 1.00 13.23 O ATOM 2613 CB TRP A 170 -6.413 -1.638 13.061 1.00 1.02 C ATOM 2614 CG TRP A 170 -4.997 -1.534 13.591 1.00 25.54 C ATOM 2615 CD1 TRP A 170 -3.852 -1.215 12.908 1.00 42.52 C ATOM 2616 CD2 TRP A 170 -4.591 -1.774 14.949 1.00 54.11 C ATOM 2617 NE1 TRP A 170 -2.775 -1.234 13.756 1.00 61.11 N ATOM 2618 CE2 TRP A 170 -3.202 -1.578 15.013 1.00 24.11 C ATOM 2619 CE3 TRP A 170 -5.278 -2.127 16.118 1.00 61.23 C ATOM 2620 CZ2 TRP A 170 -2.485 -1.718 16.200 1.00 1.22 C ATOM 2621 CZ3 TRP A 170 -4.565 -2.278 17.290 1.00 75.43 C ATOM 2622 CH2 TRP A 170 -3.180 -2.075 17.326 1.00 51.31 C ATOM 0 H TRP A 170 -6.263 0.680 12.125 1.00 64.32 H new ATOM 0 HA TRP A 170 -5.915 -1.925 10.987 1.00 54.51 H new ATOM 0 HB2 TRP A 170 -7.047 -0.970 13.644 1.00 1.02 H new ATOM 0 HB3 TRP A 170 -6.771 -2.652 13.238 1.00 1.02 H new ATOM 0 HD1 TRP A 170 -3.805 -0.982 11.854 1.00 42.52 H new ATOM 0 HE1 TRP A 170 -1.811 -1.026 13.494 1.00 61.11 H new ATOM 0 HE3 TRP A 170 -6.347 -2.278 16.102 1.00 61.23 H new ATOM 0 HZ2 TRP A 170 -1.418 -1.551 16.231 1.00 1.22 H new ATOM 0 HZ3 TRP A 170 -5.084 -2.558 18.195 1.00 75.43 H new ATOM 0 HH2 TRP A 170 -2.650 -2.202 18.258 1.00 51.31 H new ATOM 2633 N LEU A 171 -8.198 -2.424 10.066 1.00 73.41 N ATOM 2634 CA LEU A 171 -9.499 -2.824 9.528 1.00 51.00 C ATOM 2635 C LEU A 171 -10.013 -4.009 10.367 1.00 73.23 C ATOM 2636 O LEU A 171 -9.342 -5.046 10.437 1.00 74.34 O ATOM 2637 CB LEU A 171 -9.358 -3.237 8.028 1.00 21.22 C ATOM 2638 CG LEU A 171 -8.553 -2.258 7.107 1.00 73.11 C ATOM 2639 CD1 LEU A 171 -8.459 -2.798 5.665 1.00 21.33 C ATOM 2640 CD2 LEU A 171 -9.146 -0.833 7.129 1.00 14.34 C ATOM 0 H LEU A 171 -7.407 -2.817 9.556 1.00 73.41 H new ATOM 0 HA LEU A 171 -10.204 -1.994 9.580 1.00 51.00 H new ATOM 0 HB2 LEU A 171 -8.879 -4.215 7.987 1.00 21.22 H new ATOM 0 HB3 LEU A 171 -10.358 -3.354 7.611 1.00 21.22 H new ATOM 0 HG LEU A 171 -7.542 -2.195 7.509 1.00 73.11 H new ATOM 0 HD11 LEU A 171 -7.895 -2.097 5.050 1.00 21.33 H new ATOM 0 HD12 LEU A 171 -7.954 -3.764 5.670 1.00 21.33 H new ATOM 0 HD13 LEU A 171 -9.462 -2.915 5.254 1.00 21.33 H new ATOM 0 HD21 LEU A 171 -8.560 -0.185 6.478 1.00 14.34 H new ATOM 0 HD22 LEU A 171 -10.177 -0.863 6.778 1.00 14.34 H new ATOM 0 HD23 LEU A 171 -9.120 -0.444 8.147 1.00 14.34 H new ATOM 2652 N GLU A 172 -11.179 -3.856 11.016 1.00 63.14 N ATOM 2653 CA GLU A 172 -11.819 -4.933 11.802 1.00 41.34 C ATOM 2654 C GLU A 172 -12.706 -5.771 10.849 1.00 44.21 C ATOM 2655 O GLU A 172 -13.901 -5.982 11.073 1.00 24.33 O ATOM 2656 CB GLU A 172 -12.634 -4.298 12.966 1.00 21.42 C ATOM 2657 CG GLU A 172 -13.071 -5.266 14.091 1.00 5.42 C ATOM 2658 CD GLU A 172 -11.896 -5.846 14.892 1.00 33.11 C ATOM 2659 OE1 GLU A 172 -11.014 -5.076 15.315 1.00 33.12 O ATOM 2660 OE2 GLU A 172 -11.858 -7.064 15.137 1.00 15.43 O ATOM 0 H GLU A 172 -11.707 -2.984 11.013 1.00 63.14 H new ATOM 0 HA GLU A 172 -11.078 -5.597 12.247 1.00 41.34 H new ATOM 0 HB2 GLU A 172 -12.037 -3.502 13.410 1.00 21.42 H new ATOM 0 HB3 GLU A 172 -13.526 -3.832 12.547 1.00 21.42 H new ATOM 0 HG2 GLU A 172 -13.740 -4.740 14.772 1.00 5.42 H new ATOM 0 HG3 GLU A 172 -13.641 -6.085 13.653 1.00 5.42 H new ATOM 2667 N THR A 173 -12.061 -6.228 9.770 1.00 71.15 N ATOM 2668 CA THR A 173 -12.642 -7.050 8.714 1.00 4.15 C ATOM 2669 C THR A 173 -11.484 -7.723 7.948 1.00 34.41 C ATOM 2670 O THR A 173 -10.356 -7.210 7.940 1.00 13.44 O ATOM 2671 CB THR A 173 -13.518 -6.197 7.737 1.00 4.41 C ATOM 2672 OG1 THR A 173 -14.159 -7.045 6.771 1.00 53.43 O ATOM 2673 CG2 THR A 173 -12.710 -5.098 7.007 1.00 4.42 C ATOM 0 H THR A 173 -11.075 -6.023 9.606 1.00 71.15 H new ATOM 0 HA THR A 173 -13.299 -7.799 9.156 1.00 4.15 H new ATOM 0 HB THR A 173 -14.267 -5.696 8.350 1.00 4.41 H new ATOM 0 HG1 THR A 173 -15.131 -6.936 6.834 1.00 53.43 H new ATOM 0 HG21 THR A 173 -13.371 -4.540 6.344 1.00 4.42 H new ATOM 0 HG22 THR A 173 -12.274 -4.419 7.740 1.00 4.42 H new ATOM 0 HG23 THR A 173 -11.914 -5.559 6.422 1.00 4.42 H new ATOM 2681 N ALA A 174 -11.759 -8.866 7.327 1.00 73.32 N ATOM 2682 CA ALA A 174 -10.766 -9.617 6.548 1.00 70.12 C ATOM 2683 C ALA A 174 -10.848 -9.147 5.099 1.00 11.41 C ATOM 2684 O ALA A 174 -11.955 -9.030 4.563 1.00 51.32 O ATOM 2685 CB ALA A 174 -11.036 -11.126 6.647 1.00 12.22 C ATOM 0 H ALA A 174 -12.680 -9.304 7.347 1.00 73.32 H new ATOM 0 HA ALA A 174 -9.765 -9.437 6.940 1.00 70.12 H new ATOM 0 HB1 ALA A 174 -10.291 -11.668 6.064 1.00 12.22 H new ATOM 0 HB2 ALA A 174 -10.978 -11.438 7.690 1.00 12.22 H new ATOM 0 HB3 ALA A 174 -12.030 -11.344 6.258 1.00 12.22 H new ATOM 2691 N VAL A 175 -9.694 -8.858 4.468 1.00 52.43 N ATOM 2692 CA VAL A 175 -9.668 -8.479 3.050 1.00 2.41 C ATOM 2693 C VAL A 175 -9.506 -9.763 2.224 1.00 62.44 C ATOM 2694 O VAL A 175 -8.390 -10.217 1.925 1.00 50.41 O ATOM 2695 CB VAL A 175 -8.548 -7.412 2.737 1.00 50.13 C ATOM 2696 CG1 VAL A 175 -8.481 -7.071 1.223 1.00 70.20 C ATOM 2697 CG2 VAL A 175 -8.781 -6.134 3.585 1.00 40.42 C ATOM 0 H VAL A 175 -8.778 -8.880 4.916 1.00 52.43 H new ATOM 0 HA VAL A 175 -10.603 -7.988 2.781 1.00 2.41 H new ATOM 0 HB VAL A 175 -7.585 -7.845 3.008 1.00 50.13 H new ATOM 0 HG11 VAL A 175 -7.697 -6.333 1.051 1.00 70.20 H new ATOM 0 HG12 VAL A 175 -8.259 -7.975 0.656 1.00 70.20 H new ATOM 0 HG13 VAL A 175 -9.439 -6.665 0.899 1.00 70.20 H new ATOM 0 HG21 VAL A 175 -8.004 -5.403 3.363 1.00 40.42 H new ATOM 0 HG22 VAL A 175 -9.756 -5.711 3.345 1.00 40.42 H new ATOM 0 HG23 VAL A 175 -8.747 -6.389 4.644 1.00 40.42 H new ATOM 2707 N THR A 176 -10.659 -10.379 1.930 1.00 35.14 N ATOM 2708 CA THR A 176 -10.759 -11.609 1.158 1.00 62.53 C ATOM 2709 C THR A 176 -10.778 -11.296 -0.345 1.00 30.34 C ATOM 2710 O THR A 176 -11.842 -11.093 -0.946 1.00 41.43 O ATOM 2711 CB THR A 176 -12.044 -12.399 1.588 1.00 0.14 C ATOM 2712 OG1 THR A 176 -13.198 -11.536 1.520 1.00 41.00 O ATOM 2713 CG2 THR A 176 -11.919 -12.959 3.017 1.00 34.20 C ATOM 0 H THR A 176 -11.565 -10.021 2.233 1.00 35.14 H new ATOM 0 HA THR A 176 -9.887 -12.232 1.357 1.00 62.53 H new ATOM 0 HB THR A 176 -12.158 -13.236 0.900 1.00 0.14 H new ATOM 0 HG1 THR A 176 -13.193 -11.050 0.669 1.00 41.00 H new ATOM 0 HG21 THR A 176 -12.829 -13.499 3.277 1.00 34.20 H new ATOM 0 HG22 THR A 176 -11.067 -13.637 3.069 1.00 34.20 H new ATOM 0 HG23 THR A 176 -11.772 -12.137 3.718 1.00 34.20 H new ATOM 2721 N ALA A 177 -9.585 -11.226 -0.936 1.00 33.20 N ATOM 2722 CA ALA A 177 -9.418 -10.981 -2.366 1.00 54.15 C ATOM 2723 C ALA A 177 -8.575 -12.111 -2.963 1.00 52.23 C ATOM 2724 O ALA A 177 -7.373 -12.211 -2.683 1.00 53.55 O ATOM 2725 CB ALA A 177 -8.765 -9.614 -2.568 1.00 5.23 C ATOM 0 H ALA A 177 -8.705 -11.338 -0.433 1.00 33.20 H new ATOM 0 HA ALA A 177 -10.381 -10.968 -2.876 1.00 54.15 H new ATOM 0 HB1 ALA A 177 -8.638 -9.426 -3.634 1.00 5.23 H new ATOM 0 HB2 ALA A 177 -9.400 -8.840 -2.136 1.00 5.23 H new ATOM 0 HB3 ALA A 177 -7.791 -9.600 -2.078 1.00 5.23 H new ATOM 2731 N GLY A 178 -9.227 -12.932 -3.809 1.00 0.24 N ATOM 2732 CA GLY A 178 -8.648 -14.163 -4.363 1.00 53.44 C ATOM 2733 C GLY A 178 -8.066 -15.126 -3.331 1.00 2.42 C ATOM 2734 O GLY A 178 -8.355 -15.031 -2.131 1.00 30.03 O ATOM 0 H GLY A 178 -10.179 -12.754 -4.128 1.00 0.24 H new ATOM 0 HA2 GLY A 178 -9.418 -14.685 -4.931 1.00 53.44 H new ATOM 0 HA3 GLY A 178 -7.862 -13.891 -5.068 1.00 53.44 H new ATOM 2738 N GLU A 179 -7.266 -16.081 -3.818 1.00 72.51 N ATOM 2739 CA GLU A 179 -6.493 -17.002 -2.980 1.00 65.30 C ATOM 2740 C GLU A 179 -5.005 -16.808 -3.286 1.00 30.32 C ATOM 2741 O GLU A 179 -4.560 -17.070 -4.407 1.00 71.32 O ATOM 2742 CB GLU A 179 -6.916 -18.469 -3.246 1.00 40.11 C ATOM 2743 CG GLU A 179 -6.141 -19.513 -2.407 1.00 50.44 C ATOM 2744 CD GLU A 179 -6.460 -20.966 -2.795 1.00 1.25 C ATOM 2745 OE1 GLU A 179 -5.970 -21.417 -3.851 1.00 24.00 O ATOM 2746 OE2 GLU A 179 -7.186 -21.658 -2.053 1.00 14.42 O ATOM 0 H GLU A 179 -7.136 -16.237 -4.818 1.00 72.51 H new ATOM 0 HA GLU A 179 -6.684 -16.788 -1.928 1.00 65.30 H new ATOM 0 HB2 GLU A 179 -7.981 -18.572 -3.040 1.00 40.11 H new ATOM 0 HB3 GLU A 179 -6.773 -18.691 -4.304 1.00 40.11 H new ATOM 0 HG2 GLU A 179 -5.071 -19.340 -2.524 1.00 50.44 H new ATOM 0 HG3 GLU A 179 -6.375 -19.367 -1.352 1.00 50.44 H new ATOM 2753 N ARG A 180 -4.248 -16.311 -2.299 1.00 24.02 N ATOM 2754 CA ARG A 180 -2.790 -16.187 -2.394 1.00 30.21 C ATOM 2755 C ARG A 180 -2.165 -16.781 -1.132 1.00 11.15 C ATOM 2756 O ARG A 180 -2.719 -16.625 -0.037 1.00 15.14 O ATOM 2757 CB ARG A 180 -2.365 -14.699 -2.588 1.00 74.23 C ATOM 2758 CG ARG A 180 -0.883 -14.513 -3.009 1.00 53.31 C ATOM 2759 CD ARG A 180 -0.561 -15.300 -4.293 1.00 33.31 C ATOM 2760 NE ARG A 180 0.821 -15.138 -4.751 1.00 61.22 N ATOM 2761 CZ ARG A 180 1.259 -15.508 -5.963 1.00 4.33 C ATOM 2762 NH1 ARG A 180 0.431 -16.073 -6.838 1.00 14.21 N ATOM 2763 NH2 ARG A 180 2.515 -15.299 -6.306 1.00 20.10 N ATOM 0 H ARG A 180 -4.631 -15.984 -1.412 1.00 24.02 H new ATOM 0 HA ARG A 180 -2.434 -16.735 -3.266 1.00 30.21 H new ATOM 0 HB2 ARG A 180 -3.006 -14.245 -3.344 1.00 74.23 H new ATOM 0 HB3 ARG A 180 -2.538 -14.159 -1.657 1.00 74.23 H new ATOM 0 HG2 ARG A 180 -0.679 -13.454 -3.168 1.00 53.31 H new ATOM 0 HG3 ARG A 180 -0.229 -14.846 -2.203 1.00 53.31 H new ATOM 0 HD2 ARG A 180 -0.755 -16.358 -4.118 1.00 33.31 H new ATOM 0 HD3 ARG A 180 -1.237 -14.978 -5.085 1.00 33.31 H new ATOM 0 HE ARG A 180 1.492 -14.718 -4.108 1.00 61.22 H new ATOM 0 HH11 ARG A 180 -0.546 -16.228 -6.589 1.00 14.21 H new ATOM 0 HH12 ARG A 180 0.773 -16.351 -7.758 1.00 14.21 H new ATOM 0 HH21 ARG A 180 3.156 -14.855 -5.649 1.00 20.10 H new ATOM 0 HH22 ARG A 180 2.845 -15.582 -7.229 1.00 20.10 H new