USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 895 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 82 TYR OH : rot 165:sc= -0.95 USER MOD Set 1.2: A 99 HIS : no HE2:sc= 0.565 K(o=1.9,f=-5!) USER MOD Set 1.3: A 114 SER OG : rot -59:sc= 1.17 USER MOD Set 1.4: A 115 TYR OH : rot 172:sc= 1.07 USER MOD Set 2.1: A 46 ASN : amide:sc= -1.29 K(o=-1.3,f=-3) USER MOD Set 2.2: A 48 LYS NZ :NH3+ -140:sc= 0.011 (180deg=-0.265) USER MOD Single : A 8 ASN : amide:sc= 0.00231 X(o=0.0023,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 79:sc= 0.919 USER MOD Single : A 22 TYR OH : rot 180:sc=-0.00254 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0136 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -75:sc= 0.559 USER MOD Single : A 60 LYS NZ :NH3+ -142:sc= 0.752 (180deg=0.233) USER MOD Single : A 61 SER OG : rot -86:sc= 1.23 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0752) USER MOD Single : A 74 GLN : amide:sc= -0.353 X(o=-0.35,f=-0.23) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 1.25 K(o=1.2,f=-1.1) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.088 X(o=-0.088,f=-0.33) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0.249 K(o=0.25,f=-0.65) USER MOD Single : A 118 SER OG : rot -106:sc= 0.923 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 78:sc= 0.437 USER MOD Single : A 123 ASN : amide:sc= 0.284 X(o=0.28,f=-0.0025) USER MOD Single : A 124 SER OG : rot -83:sc= 1.23 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 -8.322 2.981 -13.322 1.00 0.00 N ATOM 21 CA PRO A 2 -7.855 2.928 -11.939 1.00 0.00 C ATOM 22 C PRO A 2 -8.859 3.555 -10.981 1.00 0.00 C ATOM 23 O PRO A 2 -9.587 4.478 -11.347 1.00 0.00 O ATOM 24 CB PRO A 2 -6.555 3.751 -11.945 1.00 0.00 C ATOM 25 CG PRO A 2 -6.296 4.106 -13.374 1.00 0.00 C ATOM 26 CD PRO A 2 -7.622 4.038 -14.070 1.00 0.00 C ATOM 0 HA PRO A 2 -7.715 1.901 -11.603 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -6.658 4.647 -11.333 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -5.727 3.176 -11.530 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -5.865 5.104 -13.455 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -5.584 3.414 -13.824 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.154 4.988 -14.023 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.514 3.785 -15.125 1.00 0.00 H new ATOM 34 N VAL A 3 -8.908 3.046 -9.761 1.00 0.00 N ATOM 35 CA VAL A 3 -9.777 3.614 -8.745 1.00 0.00 C ATOM 36 C VAL A 3 -8.997 4.625 -7.916 1.00 0.00 C ATOM 37 O VAL A 3 -7.917 4.321 -7.408 1.00 0.00 O ATOM 38 CB VAL A 3 -10.369 2.528 -7.824 1.00 0.00 C ATOM 39 CG1 VAL A 3 -11.321 3.145 -6.809 1.00 0.00 C ATOM 40 CG2 VAL A 3 -11.077 1.460 -8.645 1.00 0.00 C ATOM 0 H VAL A 3 -8.359 2.244 -9.451 1.00 0.00 H new ATOM 0 HA VAL A 3 -10.608 4.107 -9.251 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.551 2.056 -7.280 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -11.728 2.362 -6.169 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -10.782 3.869 -6.198 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -12.136 3.646 -7.332 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -11.488 0.702 -7.979 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -11.884 1.917 -9.217 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -10.366 0.995 -9.328 1.00 0.00 H new ATOM 50 N GLU A 4 -9.527 5.827 -7.803 1.00 0.00 N ATOM 51 CA GLU A 4 -8.834 6.894 -7.106 1.00 0.00 C ATOM 52 C GLU A 4 -9.802 7.701 -6.255 1.00 0.00 C ATOM 53 O GLU A 4 -10.993 7.769 -6.554 1.00 0.00 O ATOM 54 CB GLU A 4 -8.140 7.799 -8.121 1.00 0.00 C ATOM 55 CG GLU A 4 -9.092 8.396 -9.144 1.00 0.00 C ATOM 56 CD GLU A 4 -8.370 9.065 -10.288 1.00 0.00 C ATOM 57 OE1 GLU A 4 -7.630 10.034 -10.034 1.00 0.00 O ATOM 58 OE2 GLU A 4 -8.536 8.619 -11.442 1.00 0.00 O ATOM 0 H GLU A 4 -10.436 6.090 -8.185 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.088 6.455 -6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.634 8.606 -7.591 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.371 7.228 -8.641 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.737 7.610 -9.536 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.738 9.123 -8.652 1.00 0.00 H new ATOM 65 N LEU A 5 -9.290 8.300 -5.195 1.00 0.00 N ATOM 66 CA LEU A 5 -10.104 9.128 -4.325 1.00 0.00 C ATOM 67 C LEU A 5 -9.918 10.590 -4.692 1.00 0.00 C ATOM 68 O LEU A 5 -8.803 11.115 -4.652 1.00 0.00 O ATOM 69 CB LEU A 5 -9.735 8.897 -2.855 1.00 0.00 C ATOM 70 CG LEU A 5 -10.566 9.687 -1.837 1.00 0.00 C ATOM 71 CD1 LEU A 5 -12.037 9.314 -1.943 1.00 0.00 C ATOM 72 CD2 LEU A 5 -10.053 9.440 -0.424 1.00 0.00 C ATOM 0 H LEU A 5 -8.312 8.228 -4.916 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.151 8.855 -4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.837 7.834 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.684 9.152 -2.717 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.464 10.749 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.611 9.885 -1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -12.399 9.541 -2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -12.157 8.249 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -10.654 10.008 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.125 8.378 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.013 9.757 -0.354 1.00 0.00 H new ATOM 84 N ARG A 6 -11.006 11.240 -5.063 1.00 0.00 N ATOM 85 CA ARG A 6 -10.960 12.639 -5.454 1.00 0.00 C ATOM 86 C ARG A 6 -10.931 13.537 -4.224 1.00 0.00 C ATOM 87 O ARG A 6 -11.395 13.149 -3.150 1.00 0.00 O ATOM 88 CB ARG A 6 -12.177 12.992 -6.312 1.00 0.00 C ATOM 89 CG ARG A 6 -12.166 12.379 -7.703 1.00 0.00 C ATOM 90 CD ARG A 6 -11.178 13.078 -8.627 1.00 0.00 C ATOM 91 NE ARG A 6 -9.887 12.391 -8.711 1.00 0.00 N ATOM 92 CZ ARG A 6 -8.707 13.006 -8.630 1.00 0.00 C ATOM 93 NH1 ARG A 6 -8.644 14.295 -8.320 1.00 0.00 N ATOM 94 NH2 ARG A 6 -7.590 12.328 -8.854 1.00 0.00 N ATOM 0 H ARG A 6 -11.935 10.821 -5.102 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.051 12.799 -6.034 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -13.079 12.667 -5.793 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -12.237 14.076 -6.407 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -11.910 11.322 -7.631 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -13.166 12.436 -8.132 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -11.611 13.150 -9.625 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -11.019 14.097 -8.275 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.891 11.379 -8.839 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.501 14.819 -8.143 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.739 14.761 -8.259 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.634 11.336 -9.088 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.687 12.798 -8.792 1.00 0.00 H new ATOM 108 N ALA A 7 -10.381 14.729 -4.380 1.00 0.00 N ATOM 109 CA ALA A 7 -10.410 15.716 -3.316 1.00 0.00 C ATOM 110 C ALA A 7 -11.801 16.322 -3.250 1.00 0.00 C ATOM 111 O ALA A 7 -12.378 16.649 -4.291 1.00 0.00 O ATOM 112 CB ALA A 7 -9.356 16.788 -3.538 1.00 0.00 C ATOM 0 H ALA A 7 -9.910 15.036 -5.231 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.180 15.233 -2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.400 17.515 -2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.368 16.328 -3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.543 17.292 -4.486 1.00 0.00 H new ATOM 118 N ASN A 8 -12.332 16.464 -2.037 1.00 0.00 N ATOM 119 CA ASN A 8 -13.735 16.824 -1.839 1.00 0.00 C ATOM 120 C ASN A 8 -14.608 15.766 -2.507 1.00 0.00 C ATOM 121 O ASN A 8 -15.073 15.926 -3.640 1.00 0.00 O ATOM 122 CB ASN A 8 -14.038 18.228 -2.385 1.00 0.00 C ATOM 123 CG ASN A 8 -15.445 18.705 -2.068 1.00 0.00 C ATOM 124 OD1 ASN A 8 -15.696 19.270 -1.002 1.00 0.00 O ATOM 125 ND2 ASN A 8 -16.365 18.512 -3.003 1.00 0.00 N ATOM 0 H ASN A 8 -11.808 16.334 -1.171 1.00 0.00 H new ATOM 0 HA ASN A 8 -13.954 16.854 -0.772 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -13.320 18.935 -1.969 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -13.896 18.228 -3.466 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.321 18.836 -2.853 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -16.117 18.040 -3.872 1.00 0.00 H new ATOM 132 N TRP A 9 -14.785 14.661 -1.806 1.00 0.00 N ATOM 133 CA TRP A 9 -15.405 13.478 -2.376 1.00 0.00 C ATOM 134 C TRP A 9 -16.879 13.378 -2.013 1.00 0.00 C ATOM 135 O TRP A 9 -17.424 14.225 -1.304 1.00 0.00 O ATOM 136 CB TRP A 9 -14.660 12.222 -1.904 1.00 0.00 C ATOM 137 CG TRP A 9 -14.427 12.180 -0.419 1.00 0.00 C ATOM 138 CD1 TRP A 9 -13.315 12.614 0.244 1.00 0.00 C ATOM 139 CD2 TRP A 9 -15.320 11.679 0.584 1.00 0.00 C ATOM 140 NE1 TRP A 9 -13.465 12.422 1.595 1.00 0.00 N ATOM 141 CE2 TRP A 9 -14.685 11.848 1.829 1.00 0.00 C ATOM 142 CE3 TRP A 9 -16.595 11.109 0.554 1.00 0.00 C ATOM 143 CZ2 TRP A 9 -15.282 11.468 3.028 1.00 0.00 C ATOM 144 CZ3 TRP A 9 -17.186 10.730 1.744 1.00 0.00 C ATOM 145 CH2 TRP A 9 -16.530 10.911 2.967 1.00 0.00 C ATOM 0 H TRP A 9 -14.505 14.558 -0.831 1.00 0.00 H new ATOM 0 HA TRP A 9 -15.340 13.558 -3.461 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -15.229 11.340 -2.199 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -13.699 12.167 -2.415 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -12.444 13.046 -0.226 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -12.779 12.667 2.308 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -17.111 10.967 -0.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -14.778 11.608 3.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -18.171 10.287 1.730 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -17.019 10.605 3.880 1.00 0.00 H new ATOM 156 N SER A 10 -17.510 12.334 -2.520 1.00 0.00 N ATOM 157 CA SER A 10 -18.886 12.019 -2.198 1.00 0.00 C ATOM 158 C SER A 10 -18.982 10.533 -1.858 1.00 0.00 C ATOM 159 O SER A 10 -18.041 9.781 -2.118 1.00 0.00 O ATOM 160 CB SER A 10 -19.793 12.371 -3.380 1.00 0.00 C ATOM 161 OG SER A 10 -19.626 13.727 -3.762 1.00 0.00 O ATOM 0 H SER A 10 -17.077 11.678 -3.171 1.00 0.00 H new ATOM 0 HA SER A 10 -19.214 12.604 -1.339 1.00 0.00 H new ATOM 0 HB2 SER A 10 -19.565 11.721 -4.224 1.00 0.00 H new ATOM 0 HB3 SER A 10 -20.834 12.191 -3.111 1.00 0.00 H new ATOM 0 HG SER A 10 -20.214 13.928 -4.520 1.00 0.00 H new ATOM 167 N GLU A 11 -20.106 10.119 -1.284 1.00 0.00 N ATOM 168 CA GLU A 11 -20.288 8.738 -0.831 1.00 0.00 C ATOM 169 C GLU A 11 -20.002 7.738 -1.959 1.00 0.00 C ATOM 170 O GLU A 11 -19.289 6.758 -1.758 1.00 0.00 O ATOM 171 CB GLU A 11 -21.712 8.554 -0.300 1.00 0.00 C ATOM 172 CG GLU A 11 -21.932 7.249 0.451 1.00 0.00 C ATOM 173 CD GLU A 11 -21.102 7.140 1.716 1.00 0.00 C ATOM 174 OE1 GLU A 11 -21.188 8.040 2.583 1.00 0.00 O ATOM 175 OE2 GLU A 11 -20.383 6.136 1.866 1.00 0.00 O ATOM 0 H GLU A 11 -20.912 10.722 -1.119 1.00 0.00 H new ATOM 0 HA GLU A 11 -19.576 8.542 -0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -21.952 9.386 0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -22.409 8.601 -1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -22.987 7.159 0.708 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -21.691 6.414 -0.207 1.00 0.00 H new ATOM 182 N GLU A 12 -20.542 8.014 -3.143 1.00 0.00 N ATOM 183 CA GLU A 12 -20.336 7.172 -4.325 1.00 0.00 C ATOM 184 C GLU A 12 -18.848 7.006 -4.633 1.00 0.00 C ATOM 185 O GLU A 12 -18.359 5.893 -4.850 1.00 0.00 O ATOM 186 CB GLU A 12 -21.027 7.807 -5.534 1.00 0.00 C ATOM 187 CG GLU A 12 -20.855 7.032 -6.832 1.00 0.00 C ATOM 188 CD GLU A 12 -21.834 5.888 -6.963 1.00 0.00 C ATOM 189 OE1 GLU A 12 -23.019 6.155 -7.248 1.00 0.00 O ATOM 190 OE2 GLU A 12 -21.424 4.717 -6.804 1.00 0.00 O ATOM 0 H GLU A 12 -21.135 8.826 -3.313 1.00 0.00 H new ATOM 0 HA GLU A 12 -20.761 6.190 -4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -22.092 7.903 -5.320 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -20.637 8.816 -5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -20.981 7.711 -7.675 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -19.838 6.643 -6.886 1.00 0.00 H new ATOM 197 N ASP A 13 -18.144 8.131 -4.651 1.00 0.00 N ATOM 198 CA ASP A 13 -16.725 8.160 -4.990 1.00 0.00 C ATOM 199 C ASP A 13 -15.929 7.321 -4.002 1.00 0.00 C ATOM 200 O ASP A 13 -15.151 6.450 -4.392 1.00 0.00 O ATOM 201 CB ASP A 13 -16.217 9.609 -4.983 1.00 0.00 C ATOM 202 CG ASP A 13 -14.807 9.750 -5.528 1.00 0.00 C ATOM 203 OD1 ASP A 13 -14.640 9.689 -6.765 1.00 0.00 O ATOM 204 OD2 ASP A 13 -13.873 9.970 -4.733 1.00 0.00 O ATOM 0 H ASP A 13 -18.538 9.046 -4.432 1.00 0.00 H new ATOM 0 HA ASP A 13 -16.592 7.741 -5.987 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -16.892 10.227 -5.575 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -16.246 9.993 -3.963 1.00 0.00 H new ATOM 209 N LEU A 14 -16.175 7.558 -2.723 1.00 0.00 N ATOM 210 CA LEU A 14 -15.463 6.867 -1.661 1.00 0.00 C ATOM 211 C LEU A 14 -15.823 5.383 -1.621 1.00 0.00 C ATOM 212 O LEU A 14 -14.945 4.538 -1.457 1.00 0.00 O ATOM 213 CB LEU A 14 -15.767 7.515 -0.312 1.00 0.00 C ATOM 214 CG LEU A 14 -15.019 6.910 0.874 1.00 0.00 C ATOM 215 CD1 LEU A 14 -13.518 7.098 0.720 1.00 0.00 C ATOM 216 CD2 LEU A 14 -15.505 7.528 2.169 1.00 0.00 C ATOM 0 H LEU A 14 -16.869 8.230 -2.394 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.396 6.950 -1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.526 8.576 -0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.838 7.442 -0.123 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.223 5.840 0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -13.007 6.659 1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.182 6.608 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.288 8.162 0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.964 7.089 3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.329 8.603 2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.572 7.337 2.285 1.00 0.00 H new ATOM 228 N GLU A 15 -17.110 5.074 -1.778 1.00 0.00 N ATOM 229 CA GLU A 15 -17.584 3.688 -1.761 1.00 0.00 C ATOM 230 C GLU A 15 -16.806 2.853 -2.774 1.00 0.00 C ATOM 231 O GLU A 15 -16.347 1.751 -2.474 1.00 0.00 O ATOM 232 CB GLU A 15 -19.081 3.649 -2.080 1.00 0.00 C ATOM 233 CG GLU A 15 -19.897 2.761 -1.150 1.00 0.00 C ATOM 234 CD GLU A 15 -19.585 1.285 -1.295 1.00 0.00 C ATOM 235 OE1 GLU A 15 -20.000 0.688 -2.310 1.00 0.00 O ATOM 236 OE2 GLU A 15 -18.940 0.717 -0.387 1.00 0.00 O ATOM 0 H GLU A 15 -17.846 5.766 -1.919 1.00 0.00 H new ATOM 0 HA GLU A 15 -17.422 3.268 -0.768 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -19.477 4.664 -2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -19.213 3.301 -3.104 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -19.714 3.063 -0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -20.957 2.921 -1.346 1.00 0.00 H new ATOM 243 N THR A 16 -16.633 3.412 -3.963 1.00 0.00 N ATOM 244 CA THR A 16 -15.878 2.758 -5.020 1.00 0.00 C ATOM 245 C THR A 16 -14.427 2.529 -4.586 1.00 0.00 C ATOM 246 O THR A 16 -13.859 1.458 -4.809 1.00 0.00 O ATOM 247 CB THR A 16 -15.912 3.602 -6.307 1.00 0.00 C ATOM 248 OG1 THR A 16 -17.268 3.973 -6.608 1.00 0.00 O ATOM 249 CG2 THR A 16 -15.329 2.827 -7.477 1.00 0.00 C ATOM 0 H THR A 16 -17.009 4.325 -4.220 1.00 0.00 H new ATOM 0 HA THR A 16 -16.341 1.791 -5.218 1.00 0.00 H new ATOM 0 HB THR A 16 -15.311 4.497 -6.147 1.00 0.00 H new ATOM 0 HG1 THR A 16 -17.534 4.727 -6.041 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.364 3.444 -8.375 1.00 0.00 H new ATOM 0 HG22 THR A 16 -14.295 2.562 -7.259 1.00 0.00 H new ATOM 0 HG23 THR A 16 -15.910 1.919 -7.638 1.00 0.00 H new ATOM 257 N VAL A 17 -13.847 3.538 -3.942 1.00 0.00 N ATOM 258 CA VAL A 17 -12.479 3.453 -3.437 1.00 0.00 C ATOM 259 C VAL A 17 -12.348 2.344 -2.396 1.00 0.00 C ATOM 260 O VAL A 17 -11.419 1.537 -2.449 1.00 0.00 O ATOM 261 CB VAL A 17 -12.028 4.796 -2.815 1.00 0.00 C ATOM 262 CG1 VAL A 17 -10.630 4.686 -2.223 1.00 0.00 C ATOM 263 CG2 VAL A 17 -12.078 5.903 -3.853 1.00 0.00 C ATOM 0 H VAL A 17 -14.306 4.430 -3.756 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.836 3.223 -4.286 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.717 5.041 -2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.340 5.645 -1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.623 3.923 -1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.924 4.411 -3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.758 6.841 -3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.415 5.655 -4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -13.098 6.008 -4.224 1.00 0.00 H new ATOM 273 N ILE A 18 -13.292 2.303 -1.464 1.00 0.00 N ATOM 274 CA ILE A 18 -13.279 1.319 -0.387 1.00 0.00 C ATOM 275 C ILE A 18 -13.307 -0.103 -0.943 1.00 0.00 C ATOM 276 O ILE A 18 -12.484 -0.940 -0.565 1.00 0.00 O ATOM 277 CB ILE A 18 -14.480 1.511 0.567 1.00 0.00 C ATOM 278 CG1 ILE A 18 -14.507 2.935 1.121 1.00 0.00 C ATOM 279 CG2 ILE A 18 -14.426 0.504 1.708 1.00 0.00 C ATOM 280 CD1 ILE A 18 -15.715 3.220 1.987 1.00 0.00 C ATOM 0 H ILE A 18 -14.083 2.946 -1.432 1.00 0.00 H new ATOM 0 HA ILE A 18 -12.355 1.471 0.171 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.394 1.343 -0.002 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.602 3.107 1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -14.490 3.641 0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -15.280 0.656 2.368 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -14.456 -0.507 1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -13.503 0.642 2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -15.670 4.248 2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -16.624 3.079 1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -15.722 2.538 2.837 1.00 0.00 H new ATOM 292 N ARG A 19 -14.243 -0.357 -1.857 1.00 0.00 N ATOM 293 CA ARG A 19 -14.414 -1.689 -2.440 1.00 0.00 C ATOM 294 C ARG A 19 -13.176 -2.114 -3.221 1.00 0.00 C ATOM 295 O ARG A 19 -12.893 -3.307 -3.358 1.00 0.00 O ATOM 296 CB ARG A 19 -15.626 -1.719 -3.371 1.00 0.00 C ATOM 297 CG ARG A 19 -16.914 -1.258 -2.710 1.00 0.00 C ATOM 298 CD ARG A 19 -18.096 -1.329 -3.666 1.00 0.00 C ATOM 299 NE ARG A 19 -18.478 -2.709 -3.968 1.00 0.00 N ATOM 300 CZ ARG A 19 -19.361 -3.060 -4.902 1.00 0.00 C ATOM 301 NH1 ARG A 19 -19.999 -2.136 -5.613 1.00 0.00 N ATOM 302 NH2 ARG A 19 -19.625 -4.345 -5.100 1.00 0.00 N ATOM 0 H ARG A 19 -14.896 0.343 -2.211 1.00 0.00 H new ATOM 0 HA ARG A 19 -14.569 -2.386 -1.616 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -15.425 -1.086 -4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -15.762 -2.734 -3.744 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -17.116 -1.877 -1.836 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -16.794 -0.234 -2.355 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -18.946 -0.805 -3.230 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -17.844 -0.812 -4.592 1.00 0.00 H new ATOM 0 HE ARG A 19 -18.038 -3.453 -3.426 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -19.815 -1.147 -5.446 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -20.673 -2.416 -6.326 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -19.153 -5.055 -4.539 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -20.300 -4.623 -5.813 1.00 0.00 H new ATOM 316 N ALA A 20 -12.455 -1.135 -3.753 1.00 0.00 N ATOM 317 CA ALA A 20 -11.239 -1.405 -4.502 1.00 0.00 C ATOM 318 C ALA A 20 -10.113 -1.842 -3.576 1.00 0.00 C ATOM 319 O ALA A 20 -9.461 -2.859 -3.820 1.00 0.00 O ATOM 320 CB ALA A 20 -10.825 -0.175 -5.295 1.00 0.00 C ATOM 0 H ALA A 20 -12.694 -0.146 -3.678 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.441 -2.220 -5.196 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.913 -0.391 -5.851 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.620 0.094 -5.991 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.645 0.655 -4.612 1.00 0.00 H new ATOM 326 N VAL A 21 -9.905 -1.079 -2.505 1.00 0.00 N ATOM 327 CA VAL A 21 -8.827 -1.356 -1.557 1.00 0.00 C ATOM 328 C VAL A 21 -9.007 -2.724 -0.904 1.00 0.00 C ATOM 329 O VAL A 21 -8.067 -3.519 -0.839 1.00 0.00 O ATOM 330 CB VAL A 21 -8.741 -0.275 -0.456 1.00 0.00 C ATOM 331 CG1 VAL A 21 -7.569 -0.544 0.478 1.00 0.00 C ATOM 332 CG2 VAL A 21 -8.618 1.110 -1.072 1.00 0.00 C ATOM 0 H VAL A 21 -10.470 -0.262 -2.271 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.899 -1.348 -2.128 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.661 -0.315 0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.529 0.230 1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.697 -1.517 0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.640 -0.538 -0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.559 1.857 -0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.717 1.158 -1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.490 1.310 -1.695 1.00 0.00 H new ATOM 342 N TYR A 22 -10.212 -3.003 -0.423 1.00 0.00 N ATOM 343 CA TYR A 22 -10.496 -4.290 0.194 1.00 0.00 C ATOM 344 C TYR A 22 -11.921 -4.739 -0.093 1.00 0.00 C ATOM 345 O TYR A 22 -12.800 -3.925 -0.365 1.00 0.00 O ATOM 346 CB TYR A 22 -10.228 -4.255 1.710 1.00 0.00 C ATOM 347 CG TYR A 22 -10.932 -3.144 2.466 1.00 0.00 C ATOM 348 CD1 TYR A 22 -12.291 -3.213 2.753 1.00 0.00 C ATOM 349 CD2 TYR A 22 -10.224 -2.036 2.917 1.00 0.00 C ATOM 350 CE1 TYR A 22 -12.922 -2.211 3.465 1.00 0.00 C ATOM 351 CE2 TYR A 22 -10.850 -1.028 3.626 1.00 0.00 C ATOM 352 CZ TYR A 22 -12.198 -1.121 3.898 1.00 0.00 C ATOM 353 OH TYR A 22 -12.827 -0.123 4.610 1.00 0.00 O ATOM 0 H TYR A 22 -11.003 -2.359 -0.448 1.00 0.00 H new ATOM 0 HA TYR A 22 -9.819 -5.020 -0.250 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -10.529 -5.211 2.138 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -9.154 -4.158 1.871 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -12.863 -4.064 2.414 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -9.167 -1.961 2.710 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -13.978 -2.282 3.681 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -10.286 -0.172 3.965 1.00 0.00 H new ATOM 0 HH TYR A 22 -12.177 0.573 4.842 1.00 0.00 H new ATOM 586 N LEU A 37 -11.584 -2.398 9.635 1.00 0.00 N ATOM 587 CA LEU A 37 -10.920 -1.106 9.672 1.00 0.00 C ATOM 588 C LEU A 37 -11.918 0.048 9.748 1.00 0.00 C ATOM 589 O LEU A 37 -11.814 1.011 8.991 1.00 0.00 O ATOM 590 CB LEU A 37 -10.027 -0.945 8.441 1.00 0.00 C ATOM 591 CG LEU A 37 -8.876 -1.949 8.338 1.00 0.00 C ATOM 592 CD1 LEU A 37 -8.088 -1.720 7.062 1.00 0.00 C ATOM 593 CD2 LEU A 37 -7.964 -1.844 9.553 1.00 0.00 C ATOM 0 HA LEU A 37 -10.311 -1.073 10.575 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.646 -1.033 7.548 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.611 0.062 8.442 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.297 -2.954 8.310 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.273 -2.442 7.003 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.745 -1.844 6.201 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.679 -0.710 7.063 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.152 -2.565 9.462 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.550 -0.837 9.611 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.536 -2.054 10.457 1.00 0.00 H new ATOM 605 N VAL A 38 -12.867 -0.041 10.678 1.00 0.00 N ATOM 606 CA VAL A 38 -13.815 1.050 10.902 1.00 0.00 C ATOM 607 C VAL A 38 -13.065 2.320 11.295 1.00 0.00 C ATOM 608 O VAL A 38 -13.427 3.426 10.891 1.00 0.00 O ATOM 609 CB VAL A 38 -14.843 0.714 12.007 1.00 0.00 C ATOM 610 CG1 VAL A 38 -15.826 1.858 12.200 1.00 0.00 C ATOM 611 CG2 VAL A 38 -15.588 -0.567 11.681 1.00 0.00 C ATOM 0 H VAL A 38 -13.000 -0.850 11.285 1.00 0.00 H new ATOM 0 HA VAL A 38 -14.356 1.200 9.968 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.295 0.569 12.938 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -16.539 1.597 12.982 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -15.284 2.759 12.488 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -16.361 2.039 11.268 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.305 -0.782 12.473 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -16.116 -0.450 10.735 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -14.878 -1.390 11.601 1.00 0.00 H new ATOM 621 N SER A 39 -12.010 2.143 12.081 1.00 0.00 N ATOM 622 CA SER A 39 -11.162 3.248 12.488 1.00 0.00 C ATOM 623 C SER A 39 -10.573 3.943 11.261 1.00 0.00 C ATOM 624 O SER A 39 -10.675 5.158 11.119 1.00 0.00 O ATOM 625 CB SER A 39 -10.052 2.730 13.398 1.00 0.00 C ATOM 626 OG SER A 39 -10.576 1.836 14.368 1.00 0.00 O ATOM 0 H SER A 39 -11.723 1.236 12.450 1.00 0.00 H new ATOM 0 HA SER A 39 -11.758 3.977 13.037 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.293 2.224 12.802 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.562 3.567 13.895 1.00 0.00 H new ATOM 0 HG SER A 39 -9.850 1.513 14.941 1.00 0.00 H new ATOM 632 N ALA A 40 -9.997 3.152 10.359 1.00 0.00 N ATOM 633 CA ALA A 40 -9.396 3.683 9.140 1.00 0.00 C ATOM 634 C ALA A 40 -10.453 4.335 8.256 1.00 0.00 C ATOM 635 O ALA A 40 -10.215 5.391 7.669 1.00 0.00 O ATOM 636 CB ALA A 40 -8.669 2.582 8.384 1.00 0.00 C ATOM 0 H ALA A 40 -9.934 2.138 10.451 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.670 4.447 9.420 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.226 2.994 7.477 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.883 2.165 9.014 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.376 1.796 8.118 1.00 0.00 H new ATOM 642 N GLU A 41 -11.615 3.696 8.174 1.00 0.00 N ATOM 643 CA GLU A 41 -12.766 4.247 7.462 1.00 0.00 C ATOM 644 C GLU A 41 -13.071 5.662 7.963 1.00 0.00 C ATOM 645 O GLU A 41 -13.146 6.613 7.182 1.00 0.00 O ATOM 646 CB GLU A 41 -13.974 3.320 7.675 1.00 0.00 C ATOM 647 CG GLU A 41 -15.302 3.873 7.184 1.00 0.00 C ATOM 648 CD GLU A 41 -15.495 3.721 5.690 1.00 0.00 C ATOM 649 OE1 GLU A 41 -15.941 2.637 5.256 1.00 0.00 O ATOM 650 OE2 GLU A 41 -15.227 4.687 4.952 1.00 0.00 O ATOM 0 H GLU A 41 -11.787 2.784 8.597 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.546 4.310 6.396 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -13.781 2.375 7.168 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -14.060 3.099 8.739 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -16.114 3.364 7.703 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -15.368 4.929 7.447 1.00 0.00 H new ATOM 657 N SER A 42 -13.198 5.798 9.278 1.00 0.00 N ATOM 658 CA SER A 42 -13.503 7.081 9.891 1.00 0.00 C ATOM 659 C SER A 42 -12.359 8.077 9.679 1.00 0.00 C ATOM 660 O SER A 42 -12.599 9.256 9.413 1.00 0.00 O ATOM 661 CB SER A 42 -13.777 6.897 11.387 1.00 0.00 C ATOM 662 OG SER A 42 -14.243 8.097 11.981 1.00 0.00 O ATOM 0 H SER A 42 -13.093 5.030 9.941 1.00 0.00 H new ATOM 0 HA SER A 42 -14.395 7.485 9.413 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.516 6.109 11.528 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.865 6.572 11.888 1.00 0.00 H new ATOM 0 HG SER A 42 -14.410 7.946 12.935 1.00 0.00 H new ATOM 668 N LEU A 43 -11.119 7.599 9.788 1.00 0.00 N ATOM 669 CA LEU A 43 -9.947 8.454 9.604 1.00 0.00 C ATOM 670 C LEU A 43 -9.922 9.037 8.198 1.00 0.00 C ATOM 671 O LEU A 43 -9.653 10.225 8.008 1.00 0.00 O ATOM 672 CB LEU A 43 -8.650 7.670 9.846 1.00 0.00 C ATOM 673 CG LEU A 43 -8.472 7.093 11.254 1.00 0.00 C ATOM 674 CD1 LEU A 43 -7.182 6.292 11.340 1.00 0.00 C ATOM 675 CD2 LEU A 43 -8.480 8.195 12.302 1.00 0.00 C ATOM 0 H LEU A 43 -10.901 6.626 10.002 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.015 9.263 10.331 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.604 6.850 9.129 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.806 8.326 9.633 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.312 6.429 11.455 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.070 5.889 12.347 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.214 5.472 10.622 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.336 6.940 11.113 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.352 7.757 13.292 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.664 8.891 12.105 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.430 8.729 12.262 1.00 0.00 H new ATOM 687 N LEU A 44 -10.206 8.193 7.215 1.00 0.00 N ATOM 688 CA LEU A 44 -10.199 8.605 5.819 1.00 0.00 C ATOM 689 C LEU A 44 -11.334 9.591 5.541 1.00 0.00 C ATOM 690 O LEU A 44 -11.139 10.602 4.868 1.00 0.00 O ATOM 691 CB LEU A 44 -10.325 7.380 4.907 1.00 0.00 C ATOM 692 CG LEU A 44 -10.176 7.656 3.409 1.00 0.00 C ATOM 693 CD1 LEU A 44 -8.799 8.224 3.102 1.00 0.00 C ATOM 694 CD2 LEU A 44 -10.415 6.381 2.614 1.00 0.00 C ATOM 0 H LEU A 44 -10.446 7.212 7.361 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.253 9.104 5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.570 6.651 5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.298 6.919 5.079 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.922 8.395 3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.714 8.413 2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.661 9.157 3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.034 7.509 3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.306 6.590 1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.688 5.625 2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.422 6.013 2.810 1.00 0.00 H new ATOM 706 N ARG A 45 -12.512 9.304 6.087 1.00 0.00 N ATOM 707 CA ARG A 45 -13.684 10.147 5.869 1.00 0.00 C ATOM 708 C ARG A 45 -13.534 11.507 6.536 1.00 0.00 C ATOM 709 O ARG A 45 -14.101 12.496 6.076 1.00 0.00 O ATOM 710 CB ARG A 45 -14.947 9.455 6.377 1.00 0.00 C ATOM 711 CG ARG A 45 -15.306 8.220 5.576 1.00 0.00 C ATOM 712 CD ARG A 45 -16.659 7.661 5.972 1.00 0.00 C ATOM 713 NE ARG A 45 -17.062 6.585 5.075 1.00 0.00 N ATOM 714 CZ ARG A 45 -18.130 6.634 4.282 1.00 0.00 C ATOM 715 NH1 ARG A 45 -18.942 7.685 4.306 1.00 0.00 N ATOM 716 NH2 ARG A 45 -18.384 5.628 3.461 1.00 0.00 N ATOM 0 H ARG A 45 -12.681 8.494 6.684 1.00 0.00 H new ATOM 0 HA ARG A 45 -13.771 10.307 4.794 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.807 9.176 7.422 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -15.779 10.158 6.343 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -15.312 8.465 4.514 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.541 7.457 5.723 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -16.618 7.289 6.996 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -17.405 8.455 5.951 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.489 5.741 5.054 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -18.750 8.464 4.936 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -19.758 7.713 3.694 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -17.763 4.819 3.438 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -19.201 5.661 2.851 1.00 0.00 H new ATOM 730 N ASN A 46 -12.771 11.559 7.619 1.00 0.00 N ATOM 731 CA ASN A 46 -12.532 12.814 8.319 1.00 0.00 C ATOM 732 C ASN A 46 -11.413 13.594 7.629 1.00 0.00 C ATOM 733 O ASN A 46 -11.202 14.777 7.894 1.00 0.00 O ATOM 734 CB ASN A 46 -12.182 12.541 9.787 1.00 0.00 C ATOM 735 CG ASN A 46 -12.125 13.804 10.629 1.00 0.00 C ATOM 736 OD1 ASN A 46 -11.073 14.424 10.774 1.00 0.00 O ATOM 737 ND2 ASN A 46 -13.254 14.183 11.201 1.00 0.00 N ATOM 0 H ASN A 46 -12.308 10.749 8.031 1.00 0.00 H new ATOM 0 HA ASN A 46 -13.439 13.417 8.290 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.922 11.862 10.211 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.218 12.034 9.837 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.274 15.017 11.788 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -14.106 13.641 11.056 1.00 0.00 H new ATOM 744 N GLY A 47 -10.714 12.921 6.719 1.00 0.00 N ATOM 745 CA GLY A 47 -9.621 13.546 6.002 1.00 0.00 C ATOM 746 C GLY A 47 -8.356 13.600 6.831 1.00 0.00 C ATOM 747 O GLY A 47 -7.582 14.553 6.737 1.00 0.00 O ATOM 0 H GLY A 47 -10.888 11.948 6.466 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.428 12.994 5.082 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.908 14.557 5.713 1.00 0.00 H new ATOM 751 N LYS A 48 -8.153 12.581 7.652 1.00 0.00 N ATOM 752 CA LYS A 48 -6.999 12.531 8.537 1.00 0.00 C ATOM 753 C LYS A 48 -5.812 11.875 7.849 1.00 0.00 C ATOM 754 O LYS A 48 -4.685 12.357 7.947 1.00 0.00 O ATOM 755 CB LYS A 48 -7.341 11.766 9.816 1.00 0.00 C ATOM 756 CG LYS A 48 -8.446 12.412 10.632 1.00 0.00 C ATOM 757 CD LYS A 48 -8.763 11.604 11.879 1.00 0.00 C ATOM 758 CE LYS A 48 -9.817 12.287 12.735 1.00 0.00 C ATOM 759 NZ LYS A 48 -9.360 13.613 13.226 1.00 0.00 N ATOM 0 H LYS A 48 -8.774 11.775 7.724 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.729 13.556 8.793 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.640 10.751 9.554 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.445 11.685 10.432 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.147 13.421 10.917 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.343 12.506 10.021 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.113 10.613 11.592 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.854 11.464 12.463 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.731 12.410 12.155 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.062 11.650 13.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.667 13.743 14.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.322 13.662 13.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.770 14.363 12.634 1.00 0.00 H new ATOM 773 N ILE A 49 -6.070 10.780 7.150 1.00 0.00 N ATOM 774 CA ILE A 49 -5.007 10.024 6.504 1.00 0.00 C ATOM 775 C ILE A 49 -5.175 10.024 4.991 1.00 0.00 C ATOM 776 O ILE A 49 -6.277 10.220 4.476 1.00 0.00 O ATOM 777 CB ILE A 49 -4.955 8.562 7.003 1.00 0.00 C ATOM 778 CG1 ILE A 49 -6.295 7.859 6.755 1.00 0.00 C ATOM 779 CG2 ILE A 49 -4.588 8.516 8.480 1.00 0.00 C ATOM 780 CD1 ILE A 49 -6.299 6.395 7.143 1.00 0.00 C ATOM 0 H ILE A 49 -7.005 10.395 7.015 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.072 10.518 6.767 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.184 8.033 6.442 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.075 8.376 7.315 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.550 7.946 5.699 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.556 7.479 8.815 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.610 8.975 8.626 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.335 9.061 9.058 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.280 5.967 6.938 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.543 5.863 6.565 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.076 6.300 8.206 1.00 0.00 H new ATOM 792 N THR A 50 -4.074 9.814 4.288 1.00 0.00 N ATOM 793 CA THR A 50 -4.104 9.699 2.840 1.00 0.00 C ATOM 794 C THR A 50 -4.424 8.268 2.432 1.00 0.00 C ATOM 795 O THR A 50 -4.492 7.375 3.279 1.00 0.00 O ATOM 796 CB THR A 50 -2.753 10.100 2.226 1.00 0.00 C ATOM 797 OG1 THR A 50 -1.705 9.324 2.817 1.00 0.00 O ATOM 798 CG2 THR A 50 -2.479 11.580 2.435 1.00 0.00 C ATOM 0 H THR A 50 -3.145 9.719 4.699 1.00 0.00 H new ATOM 0 HA THR A 50 -4.877 10.372 2.471 1.00 0.00 H new ATOM 0 HB THR A 50 -2.791 9.907 1.154 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.519 9.658 3.719 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.517 11.838 1.991 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.266 12.166 1.961 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.457 11.799 3.503 1.00 0.00 H new ATOM 806 N VAL A 51 -4.610 8.047 1.137 1.00 0.00 N ATOM 807 CA VAL A 51 -4.840 6.705 0.628 1.00 0.00 C ATOM 808 C VAL A 51 -3.600 5.846 0.859 1.00 0.00 C ATOM 809 O VAL A 51 -3.704 4.665 1.179 1.00 0.00 O ATOM 810 CB VAL A 51 -5.208 6.722 -0.873 1.00 0.00 C ATOM 811 CG1 VAL A 51 -5.429 5.312 -1.399 1.00 0.00 C ATOM 812 CG2 VAL A 51 -6.450 7.571 -1.102 1.00 0.00 C ATOM 0 H VAL A 51 -4.606 8.777 0.425 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.684 6.277 1.169 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.374 7.160 -1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.686 5.355 -2.457 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.517 4.729 -1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.242 4.841 -0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.698 7.574 -2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.284 7.156 -0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.259 8.592 -0.771 1.00 0.00 H new ATOM 822 N ARG A 52 -2.430 6.466 0.730 1.00 0.00 N ATOM 823 CA ARG A 52 -1.164 5.799 1.018 1.00 0.00 C ATOM 824 C ARG A 52 -1.180 5.199 2.424 1.00 0.00 C ATOM 825 O ARG A 52 -0.877 4.017 2.616 1.00 0.00 O ATOM 826 CB ARG A 52 -0.003 6.792 0.889 1.00 0.00 C ATOM 827 CG ARG A 52 1.350 6.191 1.240 1.00 0.00 C ATOM 828 CD ARG A 52 2.482 7.196 1.090 1.00 0.00 C ATOM 829 NE ARG A 52 2.336 8.345 1.982 1.00 0.00 N ATOM 830 CZ ARG A 52 3.293 8.766 2.815 1.00 0.00 C ATOM 831 NH1 ARG A 52 4.446 8.113 2.897 1.00 0.00 N ATOM 832 NH2 ARG A 52 3.098 9.834 3.574 1.00 0.00 N ATOM 0 H ARG A 52 -2.333 7.435 0.426 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.028 4.994 0.296 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.030 7.170 -0.133 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.192 7.646 1.539 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.327 5.823 2.266 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.542 5.332 0.597 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.432 6.701 1.294 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.519 7.544 0.058 1.00 0.00 H new ATOM 0 HE ARG A 52 1.453 8.855 1.968 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.605 7.285 2.323 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.173 8.439 3.534 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.214 10.340 3.525 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.832 10.150 4.208 1.00 0.00 H new ATOM 846 N GLU A 53 -1.551 6.020 3.398 1.00 0.00 N ATOM 847 CA GLU A 53 -1.608 5.590 4.790 1.00 0.00 C ATOM 848 C GLU A 53 -2.723 4.567 4.995 1.00 0.00 C ATOM 849 O GLU A 53 -2.543 3.567 5.691 1.00 0.00 O ATOM 850 CB GLU A 53 -1.833 6.800 5.694 1.00 0.00 C ATOM 851 CG GLU A 53 -0.737 7.847 5.589 1.00 0.00 C ATOM 852 CD GLU A 53 -1.108 9.144 6.274 1.00 0.00 C ATOM 853 OE1 GLU A 53 -0.966 9.233 7.513 1.00 0.00 O ATOM 854 OE2 GLU A 53 -1.537 10.087 5.567 1.00 0.00 O ATOM 0 H GLU A 53 -1.818 6.993 3.249 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.660 5.118 5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.789 7.259 5.442 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.905 6.463 6.728 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.179 7.455 6.031 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.525 8.043 4.538 1.00 0.00 H new ATOM 861 N PHE A 54 -3.867 4.827 4.369 1.00 0.00 N ATOM 862 CA PHE A 54 -5.027 3.948 4.466 1.00 0.00 C ATOM 863 C PHE A 54 -4.686 2.539 3.983 1.00 0.00 C ATOM 864 O PHE A 54 -5.009 1.551 4.643 1.00 0.00 O ATOM 865 CB PHE A 54 -6.181 4.528 3.641 1.00 0.00 C ATOM 866 CG PHE A 54 -7.461 3.740 3.723 1.00 0.00 C ATOM 867 CD1 PHE A 54 -8.309 3.876 4.812 1.00 0.00 C ATOM 868 CD2 PHE A 54 -7.819 2.867 2.707 1.00 0.00 C ATOM 869 CE1 PHE A 54 -9.489 3.158 4.885 1.00 0.00 C ATOM 870 CE2 PHE A 54 -8.997 2.147 2.776 1.00 0.00 C ATOM 871 CZ PHE A 54 -9.832 2.291 3.867 1.00 0.00 C ATOM 0 H PHE A 54 -4.015 5.649 3.783 1.00 0.00 H new ATOM 0 HA PHE A 54 -5.328 3.881 5.511 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -6.374 5.547 3.975 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.872 4.588 2.598 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.045 4.551 5.613 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -7.170 2.748 1.852 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -10.141 3.276 5.738 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -9.265 1.472 1.977 1.00 0.00 H new ATOM 0 HZ PHE A 54 -10.751 1.727 3.923 1.00 0.00 H new ATOM 881 N VAL A 55 -4.020 2.452 2.838 1.00 0.00 N ATOM 882 CA VAL A 55 -3.661 1.163 2.265 1.00 0.00 C ATOM 883 C VAL A 55 -2.641 0.433 3.140 1.00 0.00 C ATOM 884 O VAL A 55 -2.675 -0.794 3.238 1.00 0.00 O ATOM 885 CB VAL A 55 -3.117 1.305 0.827 1.00 0.00 C ATOM 886 CG1 VAL A 55 -2.703 -0.044 0.260 1.00 0.00 C ATOM 887 CG2 VAL A 55 -4.155 1.957 -0.069 1.00 0.00 C ATOM 0 H VAL A 55 -3.719 3.258 2.290 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.575 0.571 2.224 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.233 1.941 0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.324 0.088 -0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.923 -0.478 0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.565 -0.711 0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.757 2.050 -1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.055 1.343 -0.089 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.399 2.947 0.317 1.00 0.00 H new ATOM 897 N ARG A 56 -1.748 1.176 3.797 1.00 0.00 N ATOM 898 CA ARG A 56 -0.783 0.550 4.696 1.00 0.00 C ATOM 899 C ARG A 56 -1.506 -0.137 5.850 1.00 0.00 C ATOM 900 O ARG A 56 -1.124 -1.229 6.273 1.00 0.00 O ATOM 901 CB ARG A 56 0.240 1.550 5.248 1.00 0.00 C ATOM 902 CG ARG A 56 1.271 0.884 6.150 1.00 0.00 C ATOM 903 CD ARG A 56 2.351 1.841 6.626 1.00 0.00 C ATOM 904 NE ARG A 56 3.319 1.153 7.486 1.00 0.00 N ATOM 905 CZ ARG A 56 4.591 1.522 7.646 1.00 0.00 C ATOM 906 NH1 ARG A 56 5.062 2.598 7.030 1.00 0.00 N ATOM 907 NH2 ARG A 56 5.393 0.812 8.430 1.00 0.00 N ATOM 0 H ARG A 56 -1.674 2.191 3.725 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.235 -0.188 4.110 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.749 2.041 4.418 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.280 2.327 5.807 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.766 0.456 7.016 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.737 0.058 5.612 1.00 0.00 H new ATOM 0 HD2 ARG A 56 2.864 2.272 5.767 1.00 0.00 H new ATOM 0 HD3 ARG A 56 1.895 2.667 7.173 1.00 0.00 H new ATOM 0 HE ARG A 56 2.996 0.333 7.999 1.00 0.00 H new ATOM 0 HH11 ARG A 56 4.450 3.150 6.429 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.036 2.873 7.158 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.037 -0.015 8.909 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.366 1.093 8.553 1.00 0.00 H new ATOM 921 N ALA A 57 -2.560 0.502 6.345 1.00 0.00 N ATOM 922 CA ALA A 57 -3.364 -0.067 7.418 1.00 0.00 C ATOM 923 C ALA A 57 -4.045 -1.349 6.958 1.00 0.00 C ATOM 924 O ALA A 57 -4.217 -2.288 7.735 1.00 0.00 O ATOM 925 CB ALA A 57 -4.397 0.940 7.902 1.00 0.00 C ATOM 0 H ALA A 57 -2.877 1.415 6.019 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.702 -0.310 8.249 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.989 0.498 8.704 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.890 1.831 8.274 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.053 1.214 7.076 1.00 0.00 H new ATOM 931 N VAL A 58 -4.419 -1.384 5.685 1.00 0.00 N ATOM 932 CA VAL A 58 -5.029 -2.568 5.096 1.00 0.00 C ATOM 933 C VAL A 58 -3.992 -3.676 4.929 1.00 0.00 C ATOM 934 O VAL A 58 -4.276 -4.849 5.162 1.00 0.00 O ATOM 935 CB VAL A 58 -5.665 -2.253 3.725 1.00 0.00 C ATOM 936 CG1 VAL A 58 -6.355 -3.483 3.148 1.00 0.00 C ATOM 937 CG2 VAL A 58 -6.646 -1.099 3.845 1.00 0.00 C ATOM 0 H VAL A 58 -4.310 -0.602 5.039 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.814 -2.901 5.775 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.868 -1.961 3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.795 -3.234 2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.626 -4.283 3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.139 -3.813 3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.084 -0.891 2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.435 -1.364 4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.123 -0.213 4.204 1.00 0.00 H new ATOM 947 N ALA A 59 -2.784 -3.292 4.542 1.00 0.00 N ATOM 948 CA ALA A 59 -1.700 -4.246 4.346 1.00 0.00 C ATOM 949 C ALA A 59 -1.341 -4.957 5.648 1.00 0.00 C ATOM 950 O ALA A 59 -0.914 -6.110 5.638 1.00 0.00 O ATOM 951 CB ALA A 59 -0.480 -3.546 3.770 1.00 0.00 C ATOM 0 H ALA A 59 -2.528 -2.322 4.357 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.042 -5.001 3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.322 -4.270 3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.737 -3.097 2.810 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.149 -2.767 4.457 1.00 0.00 H new ATOM 957 N LYS A 60 -1.528 -4.270 6.770 1.00 0.00 N ATOM 958 CA LYS A 60 -1.204 -4.837 8.074 1.00 0.00 C ATOM 959 C LYS A 60 -2.465 -5.229 8.838 1.00 0.00 C ATOM 960 O LYS A 60 -2.416 -5.454 10.050 1.00 0.00 O ATOM 961 CB LYS A 60 -0.379 -3.846 8.907 1.00 0.00 C ATOM 962 CG LYS A 60 -1.075 -2.514 9.156 1.00 0.00 C ATOM 963 CD LYS A 60 -0.294 -1.641 10.129 1.00 0.00 C ATOM 964 CE LYS A 60 1.144 -1.439 9.677 1.00 0.00 C ATOM 965 NZ LYS A 60 1.911 -0.583 10.622 1.00 0.00 N ATOM 0 H LYS A 60 -1.902 -3.321 6.803 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.613 -5.736 7.901 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.141 -4.304 9.867 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.567 -3.660 8.399 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.197 -1.985 8.211 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.075 -2.695 9.551 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.785 -0.672 10.223 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.303 -2.100 11.117 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.635 -2.408 9.586 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.152 -0.983 8.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.550 0.038 10.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.251 -0.003 11.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.468 -1.185 11.262 1.00 0.00 H new ATOM 979 N SER A 61 -3.591 -5.318 8.139 1.00 0.00 N ATOM 980 CA SER A 61 -4.855 -5.651 8.786 1.00 0.00 C ATOM 981 C SER A 61 -4.933 -7.145 9.097 1.00 0.00 C ATOM 982 O SER A 61 -5.568 -7.556 10.071 1.00 0.00 O ATOM 983 CB SER A 61 -6.040 -5.228 7.913 1.00 0.00 C ATOM 984 OG SER A 61 -6.072 -5.959 6.701 1.00 0.00 O ATOM 0 H SER A 61 -3.655 -5.166 7.132 1.00 0.00 H new ATOM 0 HA SER A 61 -4.904 -5.102 9.726 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.971 -5.384 8.459 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.972 -4.162 7.696 1.00 0.00 H new ATOM 0 HG SER A 61 -5.498 -5.520 6.039 1.00 0.00 H new ATOM 990 N GLU A 62 -4.285 -7.952 8.265 1.00 0.00 N ATOM 991 CA GLU A 62 -4.276 -9.391 8.460 1.00 0.00 C ATOM 992 C GLU A 62 -3.174 -9.777 9.441 1.00 0.00 C ATOM 993 O GLU A 62 -2.000 -9.860 9.083 1.00 0.00 O ATOM 994 CB GLU A 62 -4.101 -10.112 7.120 1.00 0.00 C ATOM 995 CG GLU A 62 -4.277 -11.620 7.211 1.00 0.00 C ATOM 996 CD GLU A 62 -4.372 -12.284 5.853 1.00 0.00 C ATOM 997 OE1 GLU A 62 -5.494 -12.409 5.325 1.00 0.00 O ATOM 998 OE2 GLU A 62 -3.331 -12.702 5.309 1.00 0.00 O ATOM 0 H GLU A 62 -3.761 -7.632 7.451 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.233 -9.699 8.882 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.821 -9.713 6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.108 -9.894 6.727 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.438 -12.046 7.761 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.178 -11.842 7.783 1.00 0.00 H new ATOM 1005 N LEU A 63 -3.567 -9.993 10.687 1.00 0.00 N ATOM 1006 CA LEU A 63 -2.626 -10.287 11.760 1.00 0.00 C ATOM 1007 C LEU A 63 -2.419 -11.789 11.938 1.00 0.00 C ATOM 1008 O LEU A 63 -1.885 -12.238 12.953 1.00 0.00 O ATOM 1009 CB LEU A 63 -3.114 -9.638 13.064 1.00 0.00 C ATOM 1010 CG LEU A 63 -4.627 -9.717 13.328 1.00 0.00 C ATOM 1011 CD1 LEU A 63 -5.057 -11.129 13.699 1.00 0.00 C ATOM 1012 CD2 LEU A 63 -5.025 -8.734 14.420 1.00 0.00 C ATOM 0 H LEU A 63 -4.543 -9.970 10.983 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.657 -9.866 11.492 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.594 -10.109 13.898 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.820 -8.588 13.057 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.141 -9.447 12.405 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.132 -11.147 13.878 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.814 -11.810 12.883 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.533 -11.443 14.602 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.099 -8.801 14.596 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.491 -8.975 15.339 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.771 -7.721 14.108 1.00 0.00 H new ATOM 1024 N TYR A 64 -2.820 -12.561 10.941 1.00 0.00 N ATOM 1025 CA TYR A 64 -2.706 -14.010 11.009 1.00 0.00 C ATOM 1026 C TYR A 64 -1.375 -14.460 10.414 1.00 0.00 C ATOM 1027 O TYR A 64 -1.319 -14.937 9.280 1.00 0.00 O ATOM 1028 CB TYR A 64 -3.877 -14.670 10.275 1.00 0.00 C ATOM 1029 CG TYR A 64 -5.230 -14.186 10.751 1.00 0.00 C ATOM 1030 CD1 TYR A 64 -5.853 -14.761 11.851 1.00 0.00 C ATOM 1031 CD2 TYR A 64 -5.877 -13.141 10.101 1.00 0.00 C ATOM 1032 CE1 TYR A 64 -7.084 -14.307 12.291 1.00 0.00 C ATOM 1033 CE2 TYR A 64 -7.107 -12.683 10.533 1.00 0.00 C ATOM 1034 CZ TYR A 64 -7.707 -13.269 11.628 1.00 0.00 C ATOM 1035 OH TYR A 64 -8.930 -12.811 12.068 1.00 0.00 O ATOM 0 H TYR A 64 -3.227 -12.209 10.075 1.00 0.00 H new ATOM 0 HA TYR A 64 -2.740 -14.318 12.054 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.784 -14.475 9.207 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -3.818 -15.750 10.408 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.369 -15.575 12.371 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.410 -12.679 9.244 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.555 -14.763 13.149 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.596 -11.871 10.016 1.00 0.00 H new ATOM 0 HH TYR A 64 -9.231 -12.077 11.493 1.00 0.00 H new ATOM 1045 N LYS A 65 -0.308 -14.281 11.189 1.00 0.00 N ATOM 1046 CA LYS A 65 1.053 -14.558 10.726 1.00 0.00 C ATOM 1047 C LYS A 65 1.203 -15.979 10.190 1.00 0.00 C ATOM 1048 O LYS A 65 1.514 -16.168 9.018 1.00 0.00 O ATOM 1049 CB LYS A 65 2.062 -14.338 11.853 1.00 0.00 C ATOM 1050 CG LYS A 65 2.184 -12.895 12.314 1.00 0.00 C ATOM 1051 CD LYS A 65 3.266 -12.756 13.375 1.00 0.00 C ATOM 1052 CE LYS A 65 3.455 -11.314 13.819 1.00 0.00 C ATOM 1053 NZ LYS A 65 2.229 -10.756 14.448 1.00 0.00 N ATOM 0 H LYS A 65 -0.359 -13.942 12.150 1.00 0.00 H new ATOM 0 HA LYS A 65 1.252 -13.863 9.910 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.777 -14.956 12.705 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.041 -14.684 11.521 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.418 -12.255 11.463 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.229 -12.555 12.715 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.007 -13.369 14.238 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.208 -13.140 12.983 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.282 -11.259 14.527 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.730 -10.704 12.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.442 -9.823 14.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.484 -10.658 13.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.902 -11.396 15.200 1.00 0.00 H new ATOM 1185 N PHE A 73 7.263 -20.579 2.153 1.00 0.00 N ATOM 1186 CA PHE A 73 7.630 -19.706 1.034 1.00 0.00 C ATOM 1187 C PHE A 73 7.540 -18.227 1.394 1.00 0.00 C ATOM 1188 O PHE A 73 6.484 -17.604 1.275 1.00 0.00 O ATOM 1189 CB PHE A 73 6.767 -19.992 -0.199 1.00 0.00 C ATOM 1190 CG PHE A 73 7.047 -21.320 -0.847 1.00 0.00 C ATOM 1191 CD1 PHE A 73 8.282 -21.579 -1.423 1.00 0.00 C ATOM 1192 CD2 PHE A 73 6.073 -22.304 -0.888 1.00 0.00 C ATOM 1193 CE1 PHE A 73 8.538 -22.796 -2.028 1.00 0.00 C ATOM 1194 CE2 PHE A 73 6.325 -23.522 -1.491 1.00 0.00 C ATOM 1195 CZ PHE A 73 7.558 -23.768 -2.061 1.00 0.00 C ATOM 0 HA PHE A 73 8.671 -19.930 0.802 1.00 0.00 H new ATOM 0 HB2 PHE A 73 5.716 -19.954 0.089 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.925 -19.201 -0.932 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.052 -20.822 -1.399 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.106 -22.118 -0.444 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.503 -22.986 -2.474 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.557 -24.281 -1.516 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.756 -24.719 -2.532 1.00 0.00 H new ATOM 1205 N GLN A 74 8.663 -17.657 1.805 1.00 0.00 N ATOM 1206 CA GLN A 74 8.708 -16.247 2.168 1.00 0.00 C ATOM 1207 C GLN A 74 8.751 -15.379 0.920 1.00 0.00 C ATOM 1208 O GLN A 74 8.303 -14.233 0.929 1.00 0.00 O ATOM 1209 CB GLN A 74 9.905 -15.949 3.074 1.00 0.00 C ATOM 1210 CG GLN A 74 9.845 -16.681 4.405 1.00 0.00 C ATOM 1211 CD GLN A 74 8.488 -16.553 5.076 1.00 0.00 C ATOM 1212 OE1 GLN A 74 8.237 -15.614 5.829 1.00 0.00 O ATOM 1213 NE2 GLN A 74 7.605 -17.505 4.813 1.00 0.00 N ATOM 0 H GLN A 74 9.553 -18.147 1.896 1.00 0.00 H new ATOM 0 HA GLN A 74 7.801 -16.011 2.724 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.823 -16.226 2.555 1.00 0.00 H new ATOM 0 HB3 GLN A 74 9.955 -14.876 3.259 1.00 0.00 H new ATOM 0 HG2 GLN A 74 10.071 -17.736 4.247 1.00 0.00 H new ATOM 0 HG3 GLN A 74 10.614 -16.286 5.069 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.851 -18.268 4.183 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.680 -17.475 5.241 1.00 0.00 H new ATOM 1222 N THR A 75 9.276 -15.941 -0.160 1.00 0.00 N ATOM 1223 CA THR A 75 9.281 -15.268 -1.449 1.00 0.00 C ATOM 1224 C THR A 75 7.846 -14.996 -1.899 1.00 0.00 C ATOM 1225 O THR A 75 7.555 -13.975 -2.522 1.00 0.00 O ATOM 1226 CB THR A 75 10.000 -16.128 -2.507 1.00 0.00 C ATOM 1227 OG1 THR A 75 11.254 -16.591 -1.980 1.00 0.00 O ATOM 1228 CG2 THR A 75 10.236 -15.335 -3.785 1.00 0.00 C ATOM 0 H THR A 75 9.706 -16.866 -0.167 1.00 0.00 H new ATOM 0 HA THR A 75 9.814 -14.323 -1.343 1.00 0.00 H new ATOM 0 HB THR A 75 9.367 -16.982 -2.748 1.00 0.00 H new ATOM 0 HG1 THR A 75 11.709 -17.139 -2.653 1.00 0.00 H new ATOM 0 HG21 THR A 75 10.745 -15.965 -4.515 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.279 -15.008 -4.192 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.853 -14.464 -3.564 1.00 0.00 H new ATOM 1236 N ARG A 76 6.953 -15.907 -1.536 1.00 0.00 N ATOM 1237 CA ARG A 76 5.544 -15.801 -1.883 1.00 0.00 C ATOM 1238 C ARG A 76 4.885 -14.685 -1.073 1.00 0.00 C ATOM 1239 O ARG A 76 3.937 -14.042 -1.527 1.00 0.00 O ATOM 1240 CB ARG A 76 4.871 -17.146 -1.617 1.00 0.00 C ATOM 1241 CG ARG A 76 3.462 -17.280 -2.170 1.00 0.00 C ATOM 1242 CD ARG A 76 3.031 -18.738 -2.147 1.00 0.00 C ATOM 1243 NE ARG A 76 1.687 -18.956 -2.682 1.00 0.00 N ATOM 1244 CZ ARG A 76 1.442 -19.486 -3.882 1.00 0.00 C ATOM 1245 NH1 ARG A 76 2.434 -19.672 -4.746 1.00 0.00 N ATOM 1246 NH2 ARG A 76 0.199 -19.798 -4.228 1.00 0.00 N ATOM 0 H ARG A 76 7.186 -16.739 -0.993 1.00 0.00 H new ATOM 0 HA ARG A 76 5.436 -15.551 -2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.489 -17.935 -2.044 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.840 -17.313 -0.540 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.772 -16.679 -1.578 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.425 -16.897 -3.190 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.743 -19.329 -2.723 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.069 -19.104 -1.121 1.00 0.00 H new ATOM 0 HE ARG A 76 0.891 -18.687 -2.104 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.387 -19.409 -4.493 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.243 -20.077 -5.662 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.568 -19.633 -3.577 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.011 -20.203 -5.145 1.00 0.00 H new ATOM 1260 N VAL A 77 5.412 -14.449 0.124 1.00 0.00 N ATOM 1261 CA VAL A 77 4.947 -13.352 0.964 1.00 0.00 C ATOM 1262 C VAL A 77 5.384 -12.019 0.364 1.00 0.00 C ATOM 1263 O VAL A 77 4.644 -11.033 0.401 1.00 0.00 O ATOM 1264 CB VAL A 77 5.491 -13.466 2.404 1.00 0.00 C ATOM 1265 CG1 VAL A 77 4.918 -12.370 3.290 1.00 0.00 C ATOM 1266 CG2 VAL A 77 5.187 -14.836 2.983 1.00 0.00 C ATOM 0 H VAL A 77 6.163 -15.004 0.534 1.00 0.00 H new ATOM 0 HA VAL A 77 3.859 -13.406 1.006 1.00 0.00 H new ATOM 0 HB VAL A 77 6.573 -13.340 2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.317 -12.472 4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.194 -11.395 2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.832 -12.456 3.319 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.578 -14.897 3.998 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.108 -14.993 3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.656 -15.603 2.367 1.00 0.00 H new ATOM 1276 N ILE A 78 6.588 -12.007 -0.201 1.00 0.00 N ATOM 1277 CA ILE A 78 7.099 -10.836 -0.903 1.00 0.00 C ATOM 1278 C ILE A 78 6.174 -10.480 -2.062 1.00 0.00 C ATOM 1279 O ILE A 78 5.864 -9.308 -2.289 1.00 0.00 O ATOM 1280 CB ILE A 78 8.532 -11.075 -1.434 1.00 0.00 C ATOM 1281 CG1 ILE A 78 9.477 -11.399 -0.274 1.00 0.00 C ATOM 1282 CG2 ILE A 78 9.033 -9.861 -2.208 1.00 0.00 C ATOM 1283 CD1 ILE A 78 10.889 -11.713 -0.712 1.00 0.00 C ATOM 0 H ILE A 78 7.230 -12.800 -0.185 1.00 0.00 H new ATOM 0 HA ILE A 78 7.134 -10.009 -0.193 1.00 0.00 H new ATOM 0 HB ILE A 78 8.510 -11.925 -2.116 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.499 -10.553 0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.080 -12.250 0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.043 -10.053 -2.572 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.373 -9.671 -3.054 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.043 -8.990 -1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.501 -11.932 0.163 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.880 -12.578 -1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 78 11.305 -10.855 -1.240 1.00 0.00 H new ATOM 1295 N GLU A 79 5.713 -11.508 -2.775 1.00 0.00 N ATOM 1296 CA GLU A 79 4.762 -11.324 -3.865 1.00 0.00 C ATOM 1297 C GLU A 79 3.487 -10.669 -3.352 1.00 0.00 C ATOM 1298 O GLU A 79 2.918 -9.803 -4.012 1.00 0.00 O ATOM 1299 CB GLU A 79 4.407 -12.660 -4.521 1.00 0.00 C ATOM 1300 CG GLU A 79 5.583 -13.374 -5.160 1.00 0.00 C ATOM 1301 CD GLU A 79 5.147 -14.593 -5.944 1.00 0.00 C ATOM 1302 OE1 GLU A 79 4.797 -14.438 -7.134 1.00 0.00 O ATOM 1303 OE2 GLU A 79 5.138 -15.702 -5.373 1.00 0.00 O ATOM 0 H GLU A 79 5.985 -12.478 -2.615 1.00 0.00 H new ATOM 0 HA GLU A 79 5.234 -10.680 -4.607 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.965 -13.314 -3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.645 -12.487 -5.281 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.109 -12.686 -5.822 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.289 -13.674 -4.386 1.00 0.00 H new ATOM 1310 N LEU A 80 3.049 -11.086 -2.170 1.00 0.00 N ATOM 1311 CA LEU A 80 1.830 -10.560 -1.573 1.00 0.00 C ATOM 1312 C LEU A 80 1.932 -9.051 -1.363 1.00 0.00 C ATOM 1313 O LEU A 80 1.084 -8.298 -1.838 1.00 0.00 O ATOM 1314 CB LEU A 80 1.533 -11.259 -0.241 1.00 0.00 C ATOM 1315 CG LEU A 80 1.283 -12.768 -0.332 1.00 0.00 C ATOM 1316 CD1 LEU A 80 1.037 -13.353 1.053 1.00 0.00 C ATOM 1317 CD2 LEU A 80 0.104 -13.058 -1.252 1.00 0.00 C ATOM 0 H LEU A 80 3.523 -11.790 -1.605 1.00 0.00 H new ATOM 0 HA LEU A 80 1.009 -10.758 -2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.371 -11.087 0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.658 -10.789 0.209 1.00 0.00 H new ATOM 0 HG LEU A 80 2.171 -13.240 -0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.861 -14.425 0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.909 -13.176 1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.164 -12.876 1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.060 -14.134 -1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.791 -12.574 -0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.318 -12.674 -2.249 1.00 0.00 H new ATOM 1329 N ASN A 81 2.979 -8.611 -0.672 1.00 0.00 N ATOM 1330 CA ASN A 81 3.147 -7.188 -0.377 1.00 0.00 C ATOM 1331 C ASN A 81 3.365 -6.390 -1.657 1.00 0.00 C ATOM 1332 O ASN A 81 2.789 -5.315 -1.837 1.00 0.00 O ATOM 1333 CB ASN A 81 4.304 -6.950 0.602 1.00 0.00 C ATOM 1334 CG ASN A 81 4.044 -7.551 1.972 1.00 0.00 C ATOM 1335 OD1 ASN A 81 2.897 -7.790 2.350 1.00 0.00 O ATOM 1336 ND2 ASN A 81 5.099 -7.759 2.745 1.00 0.00 N ATOM 0 H ASN A 81 3.719 -9.211 -0.308 1.00 0.00 H new ATOM 0 HA ASN A 81 2.228 -6.843 0.097 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.218 -7.378 0.189 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.472 -5.878 0.706 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.976 -8.129 3.687 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.035 -7.549 2.398 1.00 0.00 H new ATOM 1343 N TYR A 82 4.178 -6.931 -2.554 1.00 0.00 N ATOM 1344 CA TYR A 82 4.434 -6.300 -3.845 1.00 0.00 C ATOM 1345 C TYR A 82 3.143 -6.128 -4.642 1.00 0.00 C ATOM 1346 O TYR A 82 2.840 -5.040 -5.126 1.00 0.00 O ATOM 1347 CB TYR A 82 5.424 -7.137 -4.657 1.00 0.00 C ATOM 1348 CG TYR A 82 6.850 -6.637 -4.616 1.00 0.00 C ATOM 1349 CD1 TYR A 82 7.668 -6.891 -3.525 1.00 0.00 C ATOM 1350 CD2 TYR A 82 7.384 -5.924 -5.684 1.00 0.00 C ATOM 1351 CE1 TYR A 82 8.976 -6.450 -3.496 1.00 0.00 C ATOM 1352 CE2 TYR A 82 8.691 -5.478 -5.661 1.00 0.00 C ATOM 1353 CZ TYR A 82 9.481 -5.744 -4.565 1.00 0.00 C ATOM 1354 OH TYR A 82 10.785 -5.310 -4.540 1.00 0.00 O ATOM 0 H TYR A 82 4.675 -7.810 -2.412 1.00 0.00 H new ATOM 0 HA TYR A 82 4.859 -5.315 -3.654 1.00 0.00 H new ATOM 0 HB2 TYR A 82 5.401 -8.162 -4.288 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.092 -7.164 -5.695 1.00 0.00 H new ATOM 0 HD1 TYR A 82 7.275 -7.443 -2.684 1.00 0.00 H new ATOM 0 HD2 TYR A 82 6.767 -5.716 -6.545 1.00 0.00 H new ATOM 0 HE1 TYR A 82 9.600 -6.658 -2.639 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.091 -4.924 -6.497 1.00 0.00 H new ATOM 0 HH TYR A 82 11.059 -5.046 -5.443 1.00 0.00 H new ATOM 1364 N LYS A 83 2.374 -7.205 -4.749 1.00 0.00 N ATOM 1365 CA LYS A 83 1.175 -7.224 -5.580 1.00 0.00 C ATOM 1366 C LYS A 83 0.025 -6.451 -4.924 1.00 0.00 C ATOM 1367 O LYS A 83 -0.960 -6.119 -5.578 1.00 0.00 O ATOM 1368 CB LYS A 83 0.770 -8.677 -5.856 1.00 0.00 C ATOM 1369 CG LYS A 83 -0.285 -8.847 -6.936 1.00 0.00 C ATOM 1370 CD LYS A 83 -0.480 -10.316 -7.289 1.00 0.00 C ATOM 1371 CE LYS A 83 0.788 -10.917 -7.884 1.00 0.00 C ATOM 1372 NZ LYS A 83 0.650 -12.372 -8.164 1.00 0.00 N ATOM 0 H LYS A 83 2.561 -8.084 -4.266 1.00 0.00 H new ATOM 0 HA LYS A 83 1.397 -6.727 -6.524 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.658 -9.239 -6.143 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.398 -9.118 -4.931 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.230 -8.424 -6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.010 -8.292 -7.827 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.764 -10.872 -6.395 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.300 -10.415 -8.000 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.036 -10.394 -8.808 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.619 -10.760 -7.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.538 -12.734 -8.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.440 -12.877 -7.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.125 -12.523 -8.841 1.00 0.00 H new ATOM 1386 N HIS A 84 0.154 -6.166 -3.632 1.00 0.00 N ATOM 1387 CA HIS A 84 -0.872 -5.406 -2.918 1.00 0.00 C ATOM 1388 C HIS A 84 -0.588 -3.910 -2.961 1.00 0.00 C ATOM 1389 O HIS A 84 -1.490 -3.108 -3.174 1.00 0.00 O ATOM 1390 CB HIS A 84 -0.974 -5.843 -1.452 1.00 0.00 C ATOM 1391 CG HIS A 84 -1.660 -7.159 -1.238 1.00 0.00 C ATOM 1392 ND1 HIS A 84 -1.342 -8.012 -0.204 1.00 0.00 N ATOM 1393 CD2 HIS A 84 -2.669 -7.756 -1.916 1.00 0.00 C ATOM 1394 CE1 HIS A 84 -2.120 -9.074 -0.256 1.00 0.00 C ATOM 1395 NE2 HIS A 84 -2.938 -8.948 -1.284 1.00 0.00 N ATOM 0 H HIS A 84 0.951 -6.446 -3.060 1.00 0.00 H new ATOM 0 HA HIS A 84 -1.816 -5.610 -3.424 1.00 0.00 H new ATOM 0 HB2 HIS A 84 0.031 -5.900 -1.033 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.509 -5.075 -0.894 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -3.170 -7.368 -2.791 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.093 -9.909 0.429 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -3.651 -9.622 -1.563 1.00 0.00 H new ATOM 1404 N LEU A 85 0.666 -3.540 -2.744 1.00 0.00 N ATOM 1405 CA LEU A 85 1.020 -2.135 -2.584 1.00 0.00 C ATOM 1406 C LEU A 85 1.533 -1.516 -3.879 1.00 0.00 C ATOM 1407 O LEU A 85 1.367 -0.321 -4.106 1.00 0.00 O ATOM 1408 CB LEU A 85 2.063 -1.987 -1.476 1.00 0.00 C ATOM 1409 CG LEU A 85 1.625 -2.533 -0.113 1.00 0.00 C ATOM 1410 CD1 LEU A 85 2.742 -2.399 0.906 1.00 0.00 C ATOM 1411 CD2 LEU A 85 0.376 -1.817 0.377 1.00 0.00 C ATOM 0 H LEU A 85 1.451 -4.187 -2.675 1.00 0.00 H new ATOM 0 HA LEU A 85 0.113 -1.596 -2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.975 -2.499 -1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.312 -0.931 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 85 1.393 -3.591 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.408 -2.793 1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.613 -2.960 0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.008 -1.348 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.082 -2.220 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.582 -0.751 0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.433 -1.966 -0.338 1.00 0.00 H new ATOM 1423 N LEU A 86 2.161 -2.320 -4.725 1.00 0.00 N ATOM 1424 CA LEU A 86 2.706 -1.818 -5.980 1.00 0.00 C ATOM 1425 C LEU A 86 1.963 -2.416 -7.167 1.00 0.00 C ATOM 1426 O LEU A 86 2.056 -1.913 -8.286 1.00 0.00 O ATOM 1427 CB LEU A 86 4.202 -2.142 -6.085 1.00 0.00 C ATOM 1428 CG LEU A 86 5.073 -1.619 -4.938 1.00 0.00 C ATOM 1429 CD1 LEU A 86 6.533 -1.961 -5.186 1.00 0.00 C ATOM 1430 CD2 LEU A 86 4.898 -0.117 -4.773 1.00 0.00 C ATOM 0 H LEU A 86 2.306 -3.317 -4.567 1.00 0.00 H new ATOM 0 HA LEU A 86 2.577 -0.736 -5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.318 -3.224 -6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.580 -1.731 -7.021 1.00 0.00 H new ATOM 0 HG LEU A 86 4.755 -2.103 -4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.140 -1.583 -4.363 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.647 -3.043 -5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.861 -1.502 -6.119 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.525 0.234 -3.954 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.189 0.387 -5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.854 0.106 -4.552 1.00 0.00 H new ATOM 1442 N GLY A 87 1.237 -3.501 -6.917 1.00 0.00 N ATOM 1443 CA GLY A 87 0.517 -4.180 -7.978 1.00 0.00 C ATOM 1444 C GLY A 87 1.450 -4.869 -8.957 1.00 0.00 C ATOM 1445 O GLY A 87 1.063 -5.178 -10.084 1.00 0.00 O ATOM 0 H GLY A 87 1.135 -3.923 -5.994 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.158 -4.917 -7.542 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.101 -3.459 -8.514 1.00 0.00 H new ATOM 1449 N ARG A 88 2.676 -5.117 -8.526 1.00 0.00 N ATOM 1450 CA ARG A 88 3.679 -5.720 -9.385 1.00 0.00 C ATOM 1451 C ARG A 88 4.270 -6.952 -8.718 1.00 0.00 C ATOM 1452 O ARG A 88 4.447 -6.976 -7.505 1.00 0.00 O ATOM 1453 CB ARG A 88 4.794 -4.711 -9.690 1.00 0.00 C ATOM 1454 CG ARG A 88 5.817 -5.213 -10.700 1.00 0.00 C ATOM 1455 CD ARG A 88 5.238 -5.255 -12.104 1.00 0.00 C ATOM 1456 NE ARG A 88 6.065 -6.037 -13.027 1.00 0.00 N ATOM 1457 CZ ARG A 88 6.344 -5.670 -14.279 1.00 0.00 C ATOM 1458 NH1 ARG A 88 6.046 -4.449 -14.703 1.00 0.00 N ATOM 1459 NH2 ARG A 88 6.974 -6.508 -15.095 1.00 0.00 N ATOM 0 H ARG A 88 3.000 -4.908 -7.582 1.00 0.00 H new ATOM 0 HA ARG A 88 3.202 -6.015 -10.320 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.346 -3.791 -10.067 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.307 -4.459 -8.762 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.693 -4.564 -10.686 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.154 -6.209 -10.414 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.236 -5.682 -12.068 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.138 -4.238 -12.483 1.00 0.00 H new ATOM 0 HE ARG A 88 6.452 -6.919 -12.691 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.601 -3.784 -14.071 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.262 -4.175 -15.661 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.245 -7.434 -14.765 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.186 -6.225 -16.052 1.00 0.00 H new ATOM 1473 N ALA A 89 4.552 -7.975 -9.509 1.00 0.00 N ATOM 1474 CA ALA A 89 5.235 -9.160 -9.012 1.00 0.00 C ATOM 1475 C ALA A 89 6.736 -8.891 -8.953 1.00 0.00 C ATOM 1476 O ALA A 89 7.218 -7.976 -9.624 1.00 0.00 O ATOM 1477 CB ALA A 89 4.932 -10.355 -9.908 1.00 0.00 C ATOM 0 H ALA A 89 4.318 -8.009 -10.501 1.00 0.00 H new ATOM 0 HA ALA A 89 4.880 -9.393 -8.008 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.448 -11.236 -9.527 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.858 -10.540 -9.917 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.273 -10.145 -10.922 1.00 0.00 H new ATOM 1483 N PRO A 90 7.494 -9.660 -8.147 1.00 0.00 N ATOM 1484 CA PRO A 90 8.947 -9.494 -8.030 1.00 0.00 C ATOM 1485 C PRO A 90 9.628 -9.466 -9.395 1.00 0.00 C ATOM 1486 O PRO A 90 9.731 -10.489 -10.073 1.00 0.00 O ATOM 1487 CB PRO A 90 9.401 -10.721 -7.222 1.00 0.00 C ATOM 1488 CG PRO A 90 8.214 -11.629 -7.163 1.00 0.00 C ATOM 1489 CD PRO A 90 7.008 -10.746 -7.289 1.00 0.00 C ATOM 0 HA PRO A 90 9.210 -8.549 -7.555 1.00 0.00 H new ATOM 0 HB2 PRO A 90 10.247 -11.214 -7.701 1.00 0.00 H new ATOM 0 HB3 PRO A 90 9.724 -10.433 -6.221 1.00 0.00 H new ATOM 0 HG2 PRO A 90 8.245 -12.364 -7.968 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.194 -12.184 -6.225 1.00 0.00 H new ATOM 0 HD2 PRO A 90 6.166 -11.272 -7.739 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.673 -10.377 -6.320 1.00 0.00 H new ATOM 1497 N TYR A 91 10.074 -8.283 -9.796 1.00 0.00 N ATOM 1498 CA TYR A 91 10.646 -8.085 -11.121 1.00 0.00 C ATOM 1499 C TYR A 91 11.986 -8.796 -11.252 1.00 0.00 C ATOM 1500 O TYR A 91 12.211 -9.548 -12.201 1.00 0.00 O ATOM 1501 CB TYR A 91 10.805 -6.588 -11.402 1.00 0.00 C ATOM 1502 CG TYR A 91 11.320 -6.274 -12.790 1.00 0.00 C ATOM 1503 CD1 TYR A 91 10.492 -6.384 -13.901 1.00 0.00 C ATOM 1504 CD2 TYR A 91 12.632 -5.863 -12.988 1.00 0.00 C ATOM 1505 CE1 TYR A 91 10.959 -6.097 -15.170 1.00 0.00 C ATOM 1506 CE2 TYR A 91 13.105 -5.573 -14.253 1.00 0.00 C ATOM 1507 CZ TYR A 91 12.265 -5.691 -15.340 1.00 0.00 C ATOM 1508 OH TYR A 91 12.734 -5.404 -16.601 1.00 0.00 O ATOM 0 H TYR A 91 10.050 -7.442 -9.219 1.00 0.00 H new ATOM 0 HA TYR A 91 9.967 -8.516 -11.857 1.00 0.00 H new ATOM 0 HB2 TYR A 91 9.841 -6.098 -11.264 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.488 -6.161 -10.667 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.467 -6.699 -13.771 1.00 0.00 H new ATOM 0 HD2 TYR A 91 13.293 -5.769 -12.139 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.304 -6.190 -16.024 1.00 0.00 H new ATOM 0 HE2 TYR A 91 14.128 -5.255 -14.390 1.00 0.00 H new ATOM 0 HH TYR A 91 13.674 -5.132 -16.546 1.00 0.00 H new ATOM 1518 N ASP A 92 12.864 -8.570 -10.290 1.00 0.00 N ATOM 1519 CA ASP A 92 14.186 -9.175 -10.312 1.00 0.00 C ATOM 1520 C ASP A 92 14.402 -9.991 -9.045 1.00 0.00 C ATOM 1521 O ASP A 92 13.721 -9.773 -8.041 1.00 0.00 O ATOM 1522 CB ASP A 92 15.257 -8.089 -10.437 1.00 0.00 C ATOM 1523 CG ASP A 92 16.635 -8.659 -10.696 1.00 0.00 C ATOM 1524 OD1 ASP A 92 16.984 -8.853 -11.877 1.00 0.00 O ATOM 1525 OD2 ASP A 92 17.365 -8.932 -9.726 1.00 0.00 O ATOM 0 H ASP A 92 12.686 -7.972 -9.483 1.00 0.00 H new ATOM 0 HA ASP A 92 14.262 -9.839 -11.173 1.00 0.00 H new ATOM 0 HB2 ASP A 92 14.990 -7.412 -11.248 1.00 0.00 H new ATOM 0 HB3 ASP A 92 15.278 -7.498 -9.522 1.00 0.00 H new ATOM 1530 N GLU A 93 15.345 -10.927 -9.085 1.00 0.00 N ATOM 1531 CA GLU A 93 15.631 -11.761 -7.925 1.00 0.00 C ATOM 1532 C GLU A 93 16.283 -10.937 -6.816 1.00 0.00 C ATOM 1533 O GLU A 93 16.232 -11.312 -5.643 1.00 0.00 O ATOM 1534 CB GLU A 93 16.527 -12.944 -8.310 1.00 0.00 C ATOM 1535 CG GLU A 93 17.928 -12.549 -8.745 1.00 0.00 C ATOM 1536 CD GLU A 93 18.767 -13.745 -9.138 1.00 0.00 C ATOM 1537 OE1 GLU A 93 19.179 -14.514 -8.240 1.00 0.00 O ATOM 1538 OE2 GLU A 93 19.010 -13.931 -10.347 1.00 0.00 O ATOM 0 H GLU A 93 15.921 -11.126 -9.903 1.00 0.00 H new ATOM 0 HA GLU A 93 14.686 -12.156 -7.552 1.00 0.00 H new ATOM 0 HB2 GLU A 93 16.600 -13.622 -7.459 1.00 0.00 H new ATOM 0 HB3 GLU A 93 16.050 -13.498 -9.119 1.00 0.00 H new ATOM 0 HG2 GLU A 93 17.864 -11.861 -9.588 1.00 0.00 H new ATOM 0 HG3 GLU A 93 18.421 -12.014 -7.933 1.00 0.00 H new ATOM 1545 N SER A 94 16.885 -9.811 -7.194 1.00 0.00 N ATOM 1546 CA SER A 94 17.461 -8.888 -6.228 1.00 0.00 C ATOM 1547 C SER A 94 16.375 -8.352 -5.302 1.00 0.00 C ATOM 1548 O SER A 94 16.597 -8.193 -4.105 1.00 0.00 O ATOM 1549 CB SER A 94 18.169 -7.733 -6.950 1.00 0.00 C ATOM 1550 OG SER A 94 18.766 -6.830 -6.033 1.00 0.00 O ATOM 0 H SER A 94 16.985 -9.519 -8.166 1.00 0.00 H new ATOM 0 HA SER A 94 18.198 -9.423 -5.628 1.00 0.00 H new ATOM 0 HB2 SER A 94 18.933 -8.134 -7.616 1.00 0.00 H new ATOM 0 HB3 SER A 94 17.452 -7.199 -7.573 1.00 0.00 H new ATOM 0 HG SER A 94 19.209 -6.108 -6.526 1.00 0.00 H new ATOM 1556 N GLU A 95 15.191 -8.106 -5.862 1.00 0.00 N ATOM 1557 CA GLU A 95 14.062 -7.609 -5.084 1.00 0.00 C ATOM 1558 C GLU A 95 13.710 -8.600 -3.982 1.00 0.00 C ATOM 1559 O GLU A 95 13.407 -8.218 -2.850 1.00 0.00 O ATOM 1560 CB GLU A 95 12.842 -7.390 -5.982 1.00 0.00 C ATOM 1561 CG GLU A 95 13.113 -6.509 -7.191 1.00 0.00 C ATOM 1562 CD GLU A 95 13.673 -5.157 -6.810 1.00 0.00 C ATOM 1563 OE1 GLU A 95 12.880 -4.231 -6.544 1.00 0.00 O ATOM 1564 OE2 GLU A 95 14.911 -5.010 -6.794 1.00 0.00 O ATOM 0 H GLU A 95 14.991 -8.244 -6.853 1.00 0.00 H new ATOM 0 HA GLU A 95 14.347 -6.656 -4.638 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.478 -8.358 -6.325 1.00 0.00 H new ATOM 0 HB3 GLU A 95 12.044 -6.941 -5.390 1.00 0.00 H new ATOM 0 HG2 GLU A 95 13.814 -7.015 -7.855 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.188 -6.371 -7.750 1.00 0.00 H new ATOM 1571 N VAL A 96 13.766 -9.880 -4.329 1.00 0.00 N ATOM 1572 CA VAL A 96 13.503 -10.950 -3.378 1.00 0.00 C ATOM 1573 C VAL A 96 14.521 -10.916 -2.243 1.00 0.00 C ATOM 1574 O VAL A 96 14.159 -10.792 -1.076 1.00 0.00 O ATOM 1575 CB VAL A 96 13.553 -12.331 -4.066 1.00 0.00 C ATOM 1576 CG1 VAL A 96 13.268 -13.447 -3.073 1.00 0.00 C ATOM 1577 CG2 VAL A 96 12.575 -12.385 -5.230 1.00 0.00 C ATOM 0 H VAL A 96 13.993 -10.203 -5.270 1.00 0.00 H new ATOM 0 HA VAL A 96 12.502 -10.794 -2.975 1.00 0.00 H new ATOM 0 HB VAL A 96 14.560 -12.477 -4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 96 13.310 -14.409 -3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 96 14.014 -13.426 -2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 96 12.276 -13.307 -2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 96 12.625 -13.366 -5.702 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.563 -12.210 -4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 96 12.835 -11.618 -5.959 1.00 0.00 H new ATOM 1587 N ILE A 97 15.796 -10.999 -2.606 1.00 0.00 N ATOM 1588 CA ILE A 97 16.882 -11.006 -1.631 1.00 0.00 C ATOM 1589 C ILE A 97 16.856 -9.744 -0.766 1.00 0.00 C ATOM 1590 O ILE A 97 16.993 -9.814 0.457 1.00 0.00 O ATOM 1591 CB ILE A 97 18.247 -11.117 -2.338 1.00 0.00 C ATOM 1592 CG1 ILE A 97 18.288 -12.386 -3.194 1.00 0.00 C ATOM 1593 CG2 ILE A 97 19.380 -11.124 -1.319 1.00 0.00 C ATOM 1594 CD1 ILE A 97 19.571 -12.550 -3.975 1.00 0.00 C ATOM 0 H ILE A 97 16.105 -11.063 -3.576 1.00 0.00 H new ATOM 0 HA ILE A 97 16.739 -11.874 -0.988 1.00 0.00 H new ATOM 0 HB ILE A 97 18.378 -10.250 -2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 97 18.152 -13.254 -2.548 1.00 0.00 H new ATOM 0 HG13 ILE A 97 17.449 -12.372 -3.889 1.00 0.00 H new ATOM 0 HG21 ILE A 97 20.335 -11.203 -1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 97 19.356 -10.200 -0.742 1.00 0.00 H new ATOM 0 HG23 ILE A 97 19.260 -11.974 -0.648 1.00 0.00 H new ATOM 0 HD11 ILE A 97 19.527 -13.470 -4.557 1.00 0.00 H new ATOM 0 HD12 ILE A 97 19.699 -11.701 -4.647 1.00 0.00 H new ATOM 0 HD13 ILE A 97 20.414 -12.597 -3.285 1.00 0.00 H new ATOM 1606 N PHE A 98 16.656 -8.603 -1.414 1.00 0.00 N ATOM 1607 CA PHE A 98 16.617 -7.311 -0.739 1.00 0.00 C ATOM 1608 C PHE A 98 15.522 -7.273 0.327 1.00 0.00 C ATOM 1609 O PHE A 98 15.742 -6.802 1.443 1.00 0.00 O ATOM 1610 CB PHE A 98 16.386 -6.203 -1.773 1.00 0.00 C ATOM 1611 CG PHE A 98 16.355 -4.815 -1.203 1.00 0.00 C ATOM 1612 CD1 PHE A 98 17.527 -4.178 -0.836 1.00 0.00 C ATOM 1613 CD2 PHE A 98 15.153 -4.144 -1.051 1.00 0.00 C ATOM 1614 CE1 PHE A 98 17.501 -2.897 -0.320 1.00 0.00 C ATOM 1615 CE2 PHE A 98 15.120 -2.862 -0.539 1.00 0.00 C ATOM 1616 CZ PHE A 98 16.296 -2.237 -0.175 1.00 0.00 C ATOM 0 H PHE A 98 16.516 -8.547 -2.423 1.00 0.00 H new ATOM 0 HA PHE A 98 17.572 -7.154 -0.239 1.00 0.00 H new ATOM 0 HB2 PHE A 98 17.173 -6.256 -2.525 1.00 0.00 H new ATOM 0 HB3 PHE A 98 15.443 -6.393 -2.285 1.00 0.00 H new ATOM 0 HD1 PHE A 98 18.472 -4.688 -0.954 1.00 0.00 H new ATOM 0 HD2 PHE A 98 14.231 -4.629 -1.336 1.00 0.00 H new ATOM 0 HE1 PHE A 98 18.421 -2.412 -0.030 1.00 0.00 H new ATOM 0 HE2 PHE A 98 14.176 -2.349 -0.424 1.00 0.00 H new ATOM 0 HZ PHE A 98 16.274 -1.233 0.223 1.00 0.00 H new ATOM 1626 N HIS A 99 14.345 -7.782 -0.011 1.00 0.00 N ATOM 1627 CA HIS A 99 13.216 -7.739 0.911 1.00 0.00 C ATOM 1628 C HIS A 99 13.306 -8.833 1.968 1.00 0.00 C ATOM 1629 O HIS A 99 12.849 -8.646 3.093 1.00 0.00 O ATOM 1630 CB HIS A 99 11.891 -7.808 0.152 1.00 0.00 C ATOM 1631 CG HIS A 99 11.491 -6.483 -0.421 1.00 0.00 C ATOM 1632 ND1 HIS A 99 10.634 -5.624 0.221 1.00 0.00 N ATOM 1633 CD2 HIS A 99 11.866 -5.854 -1.559 1.00 0.00 C ATOM 1634 CE1 HIS A 99 10.497 -4.523 -0.492 1.00 0.00 C ATOM 1635 NE2 HIS A 99 11.234 -4.636 -1.577 1.00 0.00 N ATOM 0 H HIS A 99 14.147 -8.226 -0.908 1.00 0.00 H new ATOM 0 HA HIS A 99 13.256 -6.784 1.435 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.974 -8.539 -0.653 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.109 -8.161 0.824 1.00 0.00 H new ATOM 0 HD1 HIS A 99 10.174 -5.809 1.112 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.537 -6.239 -2.312 1.00 0.00 H new ATOM 0 HE1 HIS A 99 9.884 -3.673 -0.230 1.00 0.00 H new ATOM 1644 N LEU A 100 13.907 -9.967 1.620 1.00 0.00 N ATOM 1645 CA LEU A 100 14.169 -11.012 2.605 1.00 0.00 C ATOM 1646 C LEU A 100 15.076 -10.467 3.703 1.00 0.00 C ATOM 1647 O LEU A 100 14.832 -10.675 4.892 1.00 0.00 O ATOM 1648 CB LEU A 100 14.820 -12.233 1.949 1.00 0.00 C ATOM 1649 CG LEU A 100 13.910 -13.052 1.031 1.00 0.00 C ATOM 1650 CD1 LEU A 100 14.700 -14.156 0.340 1.00 0.00 C ATOM 1651 CD2 LEU A 100 12.751 -13.640 1.823 1.00 0.00 C ATOM 0 H LEU A 100 14.219 -10.185 0.674 1.00 0.00 H new ATOM 0 HA LEU A 100 13.219 -11.324 3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 100 15.682 -11.897 1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 100 15.198 -12.887 2.735 1.00 0.00 H new ATOM 0 HG LEU A 100 13.506 -12.390 0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 100 14.036 -14.727 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 100 15.498 -13.714 -0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 100 15.133 -14.818 1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 100 12.112 -14.220 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 100 13.139 -14.288 2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 100 12.171 -12.834 2.271 1.00 0.00 H new ATOM 1663 N ASP A 101 16.108 -9.750 3.281 1.00 0.00 N ATOM 1664 CA ASP A 101 17.040 -9.104 4.196 1.00 0.00 C ATOM 1665 C ASP A 101 16.310 -8.103 5.089 1.00 0.00 C ATOM 1666 O ASP A 101 16.437 -8.141 6.313 1.00 0.00 O ATOM 1667 CB ASP A 101 18.143 -8.403 3.395 1.00 0.00 C ATOM 1668 CG ASP A 101 19.097 -7.608 4.262 1.00 0.00 C ATOM 1669 OD1 ASP A 101 19.953 -8.222 4.940 1.00 0.00 O ATOM 1670 OD2 ASP A 101 19.018 -6.365 4.249 1.00 0.00 O ATOM 0 H ASP A 101 16.323 -9.599 2.295 1.00 0.00 H new ATOM 0 HA ASP A 101 17.491 -9.862 4.837 1.00 0.00 H new ATOM 0 HB2 ASP A 101 18.707 -9.149 2.836 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.685 -7.736 2.665 1.00 0.00 H new ATOM 1675 N LEU A 102 15.526 -7.230 4.466 1.00 0.00 N ATOM 1676 CA LEU A 102 14.757 -6.220 5.190 1.00 0.00 C ATOM 1677 C LEU A 102 13.820 -6.865 6.216 1.00 0.00 C ATOM 1678 O LEU A 102 13.768 -6.440 7.374 1.00 0.00 O ATOM 1679 CB LEU A 102 13.955 -5.375 4.197 1.00 0.00 C ATOM 1680 CG LEU A 102 13.082 -4.280 4.816 1.00 0.00 C ATOM 1681 CD1 LEU A 102 13.928 -3.284 5.595 1.00 0.00 C ATOM 1682 CD2 LEU A 102 12.281 -3.568 3.738 1.00 0.00 C ATOM 0 H LEU A 102 15.405 -7.201 3.454 1.00 0.00 H new ATOM 0 HA LEU A 102 15.453 -5.580 5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 102 14.650 -4.909 3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.316 -6.039 3.615 1.00 0.00 H new ATOM 0 HG LEU A 102 12.388 -4.752 5.512 1.00 0.00 H new ATOM 0 HD11 LEU A 102 13.284 -2.517 6.024 1.00 0.00 H new ATOM 0 HD12 LEU A 102 14.457 -3.803 6.394 1.00 0.00 H new ATOM 0 HD13 LEU A 102 14.650 -2.818 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.666 -2.793 4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.962 -3.114 3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 102 11.640 -4.286 3.227 1.00 0.00 H new ATOM 1694 N TYR A 103 13.096 -7.893 5.789 1.00 0.00 N ATOM 1695 CA TYR A 103 12.160 -8.593 6.659 1.00 0.00 C ATOM 1696 C TYR A 103 12.864 -9.197 7.870 1.00 0.00 C ATOM 1697 O TYR A 103 12.415 -9.032 9.004 1.00 0.00 O ATOM 1698 CB TYR A 103 11.425 -9.694 5.883 1.00 0.00 C ATOM 1699 CG TYR A 103 10.649 -10.645 6.769 1.00 0.00 C ATOM 1700 CD1 TYR A 103 9.474 -10.246 7.394 1.00 0.00 C ATOM 1701 CD2 TYR A 103 11.106 -11.940 6.995 1.00 0.00 C ATOM 1702 CE1 TYR A 103 8.774 -11.109 8.215 1.00 0.00 C ATOM 1703 CE2 TYR A 103 10.415 -12.807 7.818 1.00 0.00 C ATOM 1704 CZ TYR A 103 9.251 -12.387 8.425 1.00 0.00 C ATOM 1705 OH TYR A 103 8.563 -13.246 9.251 1.00 0.00 O ATOM 0 H TYR A 103 13.140 -8.262 4.839 1.00 0.00 H new ATOM 0 HA TYR A 103 11.437 -7.860 7.017 1.00 0.00 H new ATOM 0 HB2 TYR A 103 10.740 -9.231 5.173 1.00 0.00 H new ATOM 0 HB3 TYR A 103 12.150 -10.263 5.301 1.00 0.00 H new ATOM 0 HD1 TYR A 103 9.102 -9.245 7.235 1.00 0.00 H new ATOM 0 HD2 TYR A 103 12.016 -12.272 6.519 1.00 0.00 H new ATOM 0 HE1 TYR A 103 7.859 -10.786 8.689 1.00 0.00 H new ATOM 0 HE2 TYR A 103 10.784 -13.808 7.985 1.00 0.00 H new ATOM 0 HH TYR A 103 9.031 -14.106 9.291 1.00 0.00 H new ATOM 1715 N GLU A 104 13.969 -9.891 7.631 1.00 0.00 N ATOM 1716 CA GLU A 104 14.671 -10.585 8.701 1.00 0.00 C ATOM 1717 C GLU A 104 15.353 -9.612 9.655 1.00 0.00 C ATOM 1718 O GLU A 104 15.444 -9.876 10.853 1.00 0.00 O ATOM 1719 CB GLU A 104 15.698 -11.570 8.138 1.00 0.00 C ATOM 1720 CG GLU A 104 15.081 -12.734 7.384 1.00 0.00 C ATOM 1721 CD GLU A 104 16.069 -13.856 7.153 1.00 0.00 C ATOM 1722 OE1 GLU A 104 16.778 -13.833 6.127 1.00 0.00 O ATOM 1723 OE2 GLU A 104 16.149 -14.762 8.010 1.00 0.00 O ATOM 0 H GLU A 104 14.396 -9.988 6.710 1.00 0.00 H new ATOM 0 HA GLU A 104 13.921 -11.141 9.263 1.00 0.00 H new ATOM 0 HB2 GLU A 104 16.374 -11.034 7.471 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.302 -11.959 8.958 1.00 0.00 H new ATOM 0 HG2 GLU A 104 14.227 -13.115 7.944 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.702 -12.383 6.424 1.00 0.00 H new ATOM 1730 N ASN A 105 15.828 -8.488 9.134 1.00 0.00 N ATOM 1731 CA ASN A 105 16.544 -7.525 9.963 1.00 0.00 C ATOM 1732 C ASN A 105 15.587 -6.623 10.726 1.00 0.00 C ATOM 1733 O ASN A 105 15.614 -6.576 11.957 1.00 0.00 O ATOM 1734 CB ASN A 105 17.482 -6.655 9.125 1.00 0.00 C ATOM 1735 CG ASN A 105 18.562 -7.445 8.421 1.00 0.00 C ATOM 1736 OD1 ASN A 105 18.975 -8.513 8.877 1.00 0.00 O ATOM 1737 ND2 ASN A 105 19.037 -6.916 7.309 1.00 0.00 N ATOM 0 H ASN A 105 15.733 -8.222 8.154 1.00 0.00 H new ATOM 0 HA ASN A 105 17.131 -8.106 10.674 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.897 -6.112 8.383 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.948 -5.910 9.770 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.775 -7.394 6.792 1.00 0.00 H new ATOM 0 HD22 ASN A 105 18.666 -6.029 6.967 1.00 0.00 H new ATOM 1744 N GLU A 106 14.732 -5.918 10.000 1.00 0.00 N ATOM 1745 CA GLU A 106 13.913 -4.879 10.604 1.00 0.00 C ATOM 1746 C GLU A 106 12.530 -5.396 10.997 1.00 0.00 C ATOM 1747 O GLU A 106 11.988 -5.004 12.032 1.00 0.00 O ATOM 1748 CB GLU A 106 13.782 -3.699 9.643 1.00 0.00 C ATOM 1749 CG GLU A 106 15.116 -3.090 9.234 1.00 0.00 C ATOM 1750 CD GLU A 106 15.871 -2.487 10.402 1.00 0.00 C ATOM 1751 OE1 GLU A 106 15.466 -1.411 10.883 1.00 0.00 O ATOM 1752 OE2 GLU A 106 16.882 -3.081 10.841 1.00 0.00 O ATOM 0 H GLU A 106 14.588 -6.045 8.998 1.00 0.00 H new ATOM 0 HA GLU A 106 14.410 -4.554 11.518 1.00 0.00 H new ATOM 0 HB2 GLU A 106 13.254 -4.028 8.748 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.169 -2.928 10.110 1.00 0.00 H new ATOM 0 HG2 GLU A 106 15.732 -3.858 8.767 1.00 0.00 H new ATOM 0 HG3 GLU A 106 14.943 -2.319 8.483 1.00 0.00 H new ATOM 1759 N GLY A 107 11.955 -6.276 10.187 1.00 0.00 N ATOM 1760 CA GLY A 107 10.663 -6.845 10.526 1.00 0.00 C ATOM 1761 C GLY A 107 9.660 -6.774 9.392 1.00 0.00 C ATOM 1762 O GLY A 107 9.938 -6.199 8.337 1.00 0.00 O ATOM 0 H GLY A 107 12.355 -6.604 9.308 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.798 -7.887 10.818 1.00 0.00 H new ATOM 0 HA3 GLY A 107 10.259 -6.321 11.392 1.00 0.00 H new ATOM 1766 N PHE A 108 8.481 -7.339 9.629 1.00 0.00 N ATOM 1767 CA PHE A 108 7.437 -7.415 8.612 1.00 0.00 C ATOM 1768 C PHE A 108 6.827 -6.043 8.340 1.00 0.00 C ATOM 1769 O PHE A 108 6.537 -5.702 7.192 1.00 0.00 O ATOM 1770 CB PHE A 108 6.341 -8.394 9.051 1.00 0.00 C ATOM 1771 CG PHE A 108 5.266 -8.608 8.018 1.00 0.00 C ATOM 1772 CD1 PHE A 108 5.541 -9.300 6.852 1.00 0.00 C ATOM 1773 CD2 PHE A 108 3.982 -8.121 8.218 1.00 0.00 C ATOM 1774 CE1 PHE A 108 4.559 -9.501 5.902 1.00 0.00 C ATOM 1775 CE2 PHE A 108 2.996 -8.319 7.271 1.00 0.00 C ATOM 1776 CZ PHE A 108 3.285 -9.010 6.112 1.00 0.00 C ATOM 0 H PHE A 108 8.223 -7.754 10.524 1.00 0.00 H new ATOM 0 HA PHE A 108 7.894 -7.774 7.690 1.00 0.00 H new ATOM 0 HB2 PHE A 108 6.799 -9.354 9.289 1.00 0.00 H new ATOM 0 HB3 PHE A 108 5.882 -8.024 9.968 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.535 -9.687 6.683 1.00 0.00 H new ATOM 0 HD2 PHE A 108 3.751 -7.581 9.124 1.00 0.00 H new ATOM 0 HE1 PHE A 108 4.787 -10.042 4.995 1.00 0.00 H new ATOM 0 HE2 PHE A 108 2.001 -7.934 7.437 1.00 0.00 H new ATOM 0 HZ PHE A 108 2.516 -9.167 5.370 1.00 0.00 H new ATOM 1786 N ASP A 109 6.642 -5.252 9.393 1.00 0.00 N ATOM 1787 CA ASP A 109 6.046 -3.926 9.249 1.00 0.00 C ATOM 1788 C ASP A 109 7.008 -3.023 8.495 1.00 0.00 C ATOM 1789 O ASP A 109 6.598 -2.119 7.768 1.00 0.00 O ATOM 1790 CB ASP A 109 5.733 -3.319 10.619 1.00 0.00 C ATOM 1791 CG ASP A 109 4.533 -2.392 10.594 1.00 0.00 C ATOM 1792 OD1 ASP A 109 4.565 -1.355 9.893 1.00 0.00 O ATOM 1793 OD2 ASP A 109 3.535 -2.706 11.275 1.00 0.00 O ATOM 0 H ASP A 109 6.894 -5.503 10.349 1.00 0.00 H new ATOM 0 HA ASP A 109 5.112 -4.019 8.694 1.00 0.00 H new ATOM 0 HB2 ASP A 109 5.551 -4.122 11.333 1.00 0.00 H new ATOM 0 HB3 ASP A 109 6.604 -2.768 10.974 1.00 0.00 H new ATOM 1798 N ALA A 110 8.295 -3.301 8.658 1.00 0.00 N ATOM 1799 CA ALA A 110 9.339 -2.533 8.004 1.00 0.00 C ATOM 1800 C ALA A 110 9.413 -2.871 6.521 1.00 0.00 C ATOM 1801 O ALA A 110 9.795 -2.030 5.707 1.00 0.00 O ATOM 1802 CB ALA A 110 10.679 -2.781 8.672 1.00 0.00 C ATOM 0 H ALA A 110 8.640 -4.061 9.244 1.00 0.00 H new ATOM 0 HA ALA A 110 9.093 -1.475 8.100 1.00 0.00 H new ATOM 0 HB1 ALA A 110 11.450 -2.197 8.169 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.624 -2.483 9.719 1.00 0.00 H new ATOM 0 HB3 ALA A 110 10.927 -3.841 8.608 1.00 0.00 H new ATOM 1808 N ASP A 111 9.057 -4.105 6.168 1.00 0.00 N ATOM 1809 CA ASP A 111 8.969 -4.482 4.761 1.00 0.00 C ATOM 1810 C ASP A 111 7.880 -3.667 4.090 1.00 0.00 C ATOM 1811 O ASP A 111 8.136 -2.953 3.123 1.00 0.00 O ATOM 1812 CB ASP A 111 8.684 -5.975 4.583 1.00 0.00 C ATOM 1813 CG ASP A 111 8.648 -6.371 3.114 1.00 0.00 C ATOM 1814 OD1 ASP A 111 9.722 -6.398 2.482 1.00 0.00 O ATOM 1815 OD2 ASP A 111 7.547 -6.644 2.586 1.00 0.00 O ATOM 0 H ASP A 111 8.828 -4.850 6.826 1.00 0.00 H new ATOM 0 HA ASP A 111 9.934 -4.276 4.297 1.00 0.00 H new ATOM 0 HB2 ASP A 111 9.450 -6.555 5.097 1.00 0.00 H new ATOM 0 HB3 ASP A 111 7.730 -6.221 5.050 1.00 0.00 H new ATOM 1820 N ILE A 112 6.672 -3.749 4.643 1.00 0.00 N ATOM 1821 CA ILE A 112 5.535 -2.968 4.161 1.00 0.00 C ATOM 1822 C ILE A 112 5.879 -1.479 4.139 1.00 0.00 C ATOM 1823 O ILE A 112 5.442 -0.731 3.262 1.00 0.00 O ATOM 1824 CB ILE A 112 4.294 -3.194 5.058 1.00 0.00 C ATOM 1825 CG1 ILE A 112 3.893 -4.670 5.044 1.00 0.00 C ATOM 1826 CG2 ILE A 112 3.128 -2.320 4.614 1.00 0.00 C ATOM 1827 CD1 ILE A 112 2.729 -4.995 5.956 1.00 0.00 C ATOM 0 H ILE A 112 6.454 -4.355 5.434 1.00 0.00 H new ATOM 0 HA ILE A 112 5.307 -3.300 3.148 1.00 0.00 H new ATOM 0 HB ILE A 112 4.556 -2.910 6.077 1.00 0.00 H new ATOM 0 HG12 ILE A 112 3.635 -4.957 4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.752 -5.273 5.338 1.00 0.00 H new ATOM 0 HG21 ILE A 112 2.271 -2.500 5.262 1.00 0.00 H new ATOM 0 HG22 ILE A 112 3.416 -1.270 4.676 1.00 0.00 H new ATOM 0 HG23 ILE A 112 2.862 -2.563 3.585 1.00 0.00 H new ATOM 0 HD11 ILE A 112 2.503 -6.059 5.892 1.00 0.00 H new ATOM 0 HD12 ILE A 112 2.990 -4.740 6.983 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.855 -4.420 5.650 1.00 0.00 H new ATOM 1839 N ASP A 113 6.685 -1.070 5.107 1.00 0.00 N ATOM 1840 CA ASP A 113 7.117 0.315 5.234 1.00 0.00 C ATOM 1841 C ASP A 113 7.834 0.805 3.979 1.00 0.00 C ATOM 1842 O ASP A 113 7.608 1.926 3.540 1.00 0.00 O ATOM 1843 CB ASP A 113 8.036 0.466 6.448 1.00 0.00 C ATOM 1844 CG ASP A 113 8.507 1.889 6.656 1.00 0.00 C ATOM 1845 OD1 ASP A 113 7.741 2.693 7.230 1.00 0.00 O ATOM 1846 OD2 ASP A 113 9.648 2.206 6.263 1.00 0.00 O ATOM 0 H ASP A 113 7.058 -1.688 5.827 1.00 0.00 H new ATOM 0 HA ASP A 113 6.225 0.927 5.368 1.00 0.00 H new ATOM 0 HB2 ASP A 113 7.509 0.129 7.341 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.902 -0.184 6.325 1.00 0.00 H new ATOM 1851 N SER A 114 8.665 -0.043 3.378 1.00 0.00 N ATOM 1852 CA SER A 114 9.490 0.373 2.240 1.00 0.00 C ATOM 1853 C SER A 114 8.640 0.812 1.042 1.00 0.00 C ATOM 1854 O SER A 114 9.092 1.596 0.203 1.00 0.00 O ATOM 1855 CB SER A 114 10.446 -0.753 1.822 1.00 0.00 C ATOM 1856 OG SER A 114 9.739 -1.896 1.366 1.00 0.00 O ATOM 0 H SER A 114 8.787 -1.017 3.656 1.00 0.00 H new ATOM 0 HA SER A 114 10.073 1.234 2.567 1.00 0.00 H new ATOM 0 HB2 SER A 114 11.108 -0.395 1.033 1.00 0.00 H new ATOM 0 HB3 SER A 114 11.077 -1.028 2.667 1.00 0.00 H new ATOM 0 HG SER A 114 9.150 -2.222 2.078 1.00 0.00 H new ATOM 1862 N TYR A 115 7.410 0.314 0.966 1.00 0.00 N ATOM 1863 CA TYR A 115 6.516 0.656 -0.136 1.00 0.00 C ATOM 1864 C TYR A 115 5.762 1.947 0.171 1.00 0.00 C ATOM 1865 O TYR A 115 5.467 2.738 -0.721 1.00 0.00 O ATOM 1866 CB TYR A 115 5.496 -0.464 -0.385 1.00 0.00 C ATOM 1867 CG TYR A 115 6.077 -1.861 -0.435 1.00 0.00 C ATOM 1868 CD1 TYR A 115 6.170 -2.626 0.718 1.00 0.00 C ATOM 1869 CD2 TYR A 115 6.506 -2.426 -1.630 1.00 0.00 C ATOM 1870 CE1 TYR A 115 6.677 -3.908 0.689 1.00 0.00 C ATOM 1871 CE2 TYR A 115 7.019 -3.712 -1.666 1.00 0.00 C ATOM 1872 CZ TYR A 115 7.102 -4.447 -0.501 1.00 0.00 C ATOM 1873 OH TYR A 115 7.606 -5.726 -0.525 1.00 0.00 O ATOM 0 H TYR A 115 7.010 -0.326 1.652 1.00 0.00 H new ATOM 0 HA TYR A 115 7.129 0.788 -1.027 1.00 0.00 H new ATOM 0 HB2 TYR A 115 4.742 -0.429 0.401 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.985 -0.266 -1.327 1.00 0.00 H new ATOM 0 HD1 TYR A 115 5.839 -2.209 1.658 1.00 0.00 H new ATOM 0 HD2 TYR A 115 6.438 -1.854 -2.544 1.00 0.00 H new ATOM 0 HE1 TYR A 115 6.740 -4.486 1.599 1.00 0.00 H new ATOM 0 HE2 TYR A 115 7.352 -4.137 -2.601 1.00 0.00 H new ATOM 0 HH TYR A 115 7.742 -6.007 -1.454 1.00 0.00 H new ATOM 1883 N ILE A 116 5.454 2.147 1.446 1.00 0.00 N ATOM 1884 CA ILE A 116 4.597 3.250 1.870 1.00 0.00 C ATOM 1885 C ILE A 116 5.406 4.489 2.261 1.00 0.00 C ATOM 1886 O ILE A 116 4.996 5.620 2.003 1.00 0.00 O ATOM 1887 CB ILE A 116 3.713 2.813 3.063 1.00 0.00 C ATOM 1888 CG1 ILE A 116 2.840 1.614 2.667 1.00 0.00 C ATOM 1889 CG2 ILE A 116 2.848 3.965 3.559 1.00 0.00 C ATOM 1890 CD1 ILE A 116 1.911 1.889 1.501 1.00 0.00 C ATOM 0 H ILE A 116 5.786 1.557 2.209 1.00 0.00 H new ATOM 0 HA ILE A 116 3.968 3.514 1.020 1.00 0.00 H new ATOM 0 HB ILE A 116 4.370 2.514 3.880 1.00 0.00 H new ATOM 0 HG12 ILE A 116 3.487 0.774 2.413 1.00 0.00 H new ATOM 0 HG13 ILE A 116 2.246 1.310 3.528 1.00 0.00 H new ATOM 0 HG21 ILE A 116 2.238 3.628 4.397 1.00 0.00 H new ATOM 0 HG22 ILE A 116 3.487 4.787 3.883 1.00 0.00 H new ATOM 0 HG23 ILE A 116 2.199 4.306 2.752 1.00 0.00 H new ATOM 0 HD11 ILE A 116 1.328 0.995 1.281 1.00 0.00 H new ATOM 0 HD12 ILE A 116 1.238 2.707 1.757 1.00 0.00 H new ATOM 0 HD13 ILE A 116 2.498 2.163 0.625 1.00 0.00 H new ATOM 1902 N ASP A 117 6.557 4.268 2.872 1.00 0.00 N ATOM 1903 CA ASP A 117 7.364 5.349 3.435 1.00 0.00 C ATOM 1904 C ASP A 117 8.106 6.126 2.349 1.00 0.00 C ATOM 1905 O ASP A 117 8.521 7.259 2.569 1.00 0.00 O ATOM 1906 CB ASP A 117 8.354 4.769 4.449 1.00 0.00 C ATOM 1907 CG ASP A 117 9.298 5.800 5.033 1.00 0.00 C ATOM 1908 OD1 ASP A 117 8.879 6.564 5.926 1.00 0.00 O ATOM 1909 OD2 ASP A 117 10.479 5.831 4.618 1.00 0.00 O ATOM 0 H ASP A 117 6.962 3.340 2.994 1.00 0.00 H new ATOM 0 HA ASP A 117 6.696 6.051 3.934 1.00 0.00 H new ATOM 0 HB2 ASP A 117 7.797 4.298 5.259 1.00 0.00 H new ATOM 0 HB3 ASP A 117 8.938 3.986 3.966 1.00 0.00 H new ATOM 1914 N SER A 118 8.247 5.522 1.176 1.00 0.00 N ATOM 1915 CA SER A 118 8.960 6.152 0.072 1.00 0.00 C ATOM 1916 C SER A 118 8.076 7.186 -0.640 1.00 0.00 C ATOM 1917 O SER A 118 7.189 6.833 -1.425 1.00 0.00 O ATOM 1918 CB SER A 118 9.448 5.077 -0.904 1.00 0.00 C ATOM 1919 OG SER A 118 8.466 4.071 -1.087 1.00 0.00 O ATOM 0 H SER A 118 7.877 4.595 0.964 1.00 0.00 H new ATOM 0 HA SER A 118 9.824 6.685 0.469 1.00 0.00 H new ATOM 0 HB2 SER A 118 9.688 5.535 -1.864 1.00 0.00 H new ATOM 0 HB3 SER A 118 10.367 4.628 -0.526 1.00 0.00 H new ATOM 0 HG SER A 118 8.736 3.259 -0.609 1.00 0.00 H new ATOM 1925 N PRO A 119 8.320 8.485 -0.390 1.00 0.00 N ATOM 1926 CA PRO A 119 7.460 9.557 -0.894 1.00 0.00 C ATOM 1927 C PRO A 119 7.536 9.684 -2.410 1.00 0.00 C ATOM 1928 O PRO A 119 6.522 9.876 -3.078 1.00 0.00 O ATOM 1929 CB PRO A 119 8.006 10.815 -0.217 1.00 0.00 C ATOM 1930 CG PRO A 119 9.419 10.489 0.128 1.00 0.00 C ATOM 1931 CD PRO A 119 9.462 9.008 0.386 1.00 0.00 C ATOM 0 HA PRO A 119 6.408 9.373 -0.674 1.00 0.00 H new ATOM 0 HB2 PRO A 119 7.952 11.676 -0.883 1.00 0.00 H new ATOM 0 HB3 PRO A 119 7.430 11.064 0.674 1.00 0.00 H new ATOM 0 HG2 PRO A 119 10.090 10.761 -0.687 1.00 0.00 H new ATOM 0 HG3 PRO A 119 9.743 11.046 1.007 1.00 0.00 H new ATOM 0 HD2 PRO A 119 10.404 8.571 0.056 1.00 0.00 H new ATOM 0 HD3 PRO A 119 9.361 8.783 1.448 1.00 0.00 H new ATOM 1939 N GLU A 120 8.743 9.547 -2.943 1.00 0.00 N ATOM 1940 CA GLU A 120 8.975 9.664 -4.376 1.00 0.00 C ATOM 1941 C GLU A 120 8.240 8.571 -5.145 1.00 0.00 C ATOM 1942 O GLU A 120 7.674 8.822 -6.211 1.00 0.00 O ATOM 1943 CB GLU A 120 10.477 9.598 -4.663 1.00 0.00 C ATOM 1944 CG GLU A 120 11.165 8.417 -3.998 1.00 0.00 C ATOM 1945 CD GLU A 120 12.649 8.367 -4.283 1.00 0.00 C ATOM 1946 OE1 GLU A 120 13.360 9.319 -3.911 1.00 0.00 O ATOM 1947 OE2 GLU A 120 13.113 7.363 -4.866 1.00 0.00 O ATOM 0 H GLU A 120 9.583 9.353 -2.398 1.00 0.00 H new ATOM 0 HA GLU A 120 8.586 10.626 -4.711 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.632 9.540 -5.740 1.00 0.00 H new ATOM 0 HB3 GLU A 120 10.946 10.521 -4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 120 11.008 8.471 -2.921 1.00 0.00 H new ATOM 0 HG3 GLU A 120 10.702 7.492 -4.342 1.00 0.00 H new ATOM 1954 N TYR A 121 8.224 7.366 -4.592 1.00 0.00 N ATOM 1955 CA TYR A 121 7.631 6.229 -5.276 1.00 0.00 C ATOM 1956 C TYR A 121 6.108 6.302 -5.209 1.00 0.00 C ATOM 1957 O TYR A 121 5.421 5.988 -6.179 1.00 0.00 O ATOM 1958 CB TYR A 121 8.135 4.919 -4.667 1.00 0.00 C ATOM 1959 CG TYR A 121 8.131 3.755 -5.638 1.00 0.00 C ATOM 1960 CD1 TYR A 121 7.011 2.947 -5.802 1.00 0.00 C ATOM 1961 CD2 TYR A 121 9.262 3.467 -6.394 1.00 0.00 C ATOM 1962 CE1 TYR A 121 7.021 1.885 -6.689 1.00 0.00 C ATOM 1963 CE2 TYR A 121 9.279 2.408 -7.280 1.00 0.00 C ATOM 1964 CZ TYR A 121 8.158 1.620 -7.426 1.00 0.00 C ATOM 1965 OH TYR A 121 8.175 0.561 -8.310 1.00 0.00 O ATOM 0 H TYR A 121 8.614 7.152 -3.674 1.00 0.00 H new ATOM 0 HA TYR A 121 7.930 6.259 -6.324 1.00 0.00 H new ATOM 0 HB2 TYR A 121 9.149 5.068 -4.296 1.00 0.00 H new ATOM 0 HB3 TYR A 121 7.515 4.666 -3.807 1.00 0.00 H new ATOM 0 HD1 TYR A 121 6.119 3.152 -5.228 1.00 0.00 H new ATOM 0 HD2 TYR A 121 10.143 4.083 -6.286 1.00 0.00 H new ATOM 0 HE1 TYR A 121 6.143 1.266 -6.804 1.00 0.00 H new ATOM 0 HE2 TYR A 121 10.168 2.198 -7.857 1.00 0.00 H new ATOM 0 HH TYR A 121 9.050 0.515 -8.748 1.00 0.00 H new ATOM 1975 N THR A 122 5.583 6.735 -4.069 1.00 0.00 N ATOM 1976 CA THR A 122 4.143 6.859 -3.908 1.00 0.00 C ATOM 1977 C THR A 122 3.599 8.049 -4.698 1.00 0.00 C ATOM 1978 O THR A 122 2.601 7.926 -5.403 1.00 0.00 O ATOM 1979 CB THR A 122 3.745 7.018 -2.430 1.00 0.00 C ATOM 1980 OG1 THR A 122 4.318 5.962 -1.647 1.00 0.00 O ATOM 1981 CG2 THR A 122 2.230 6.999 -2.283 1.00 0.00 C ATOM 0 H THR A 122 6.129 7.004 -3.250 1.00 0.00 H new ATOM 0 HA THR A 122 3.708 5.937 -4.293 1.00 0.00 H new ATOM 0 HB THR A 122 4.124 7.976 -2.073 1.00 0.00 H new ATOM 0 HG1 THR A 122 5.264 6.155 -1.481 1.00 0.00 H new ATOM 0 HG21 THR A 122 1.965 7.112 -1.232 1.00 0.00 H new ATOM 0 HG22 THR A 122 1.798 7.819 -2.857 1.00 0.00 H new ATOM 0 HG23 THR A 122 1.840 6.052 -2.655 1.00 0.00 H new ATOM 1989 N ASN A 123 4.270 9.193 -4.596 1.00 0.00 N ATOM 1990 CA ASN A 123 3.801 10.414 -5.251 1.00 0.00 C ATOM 1991 C ASN A 123 3.764 10.250 -6.766 1.00 0.00 C ATOM 1992 O ASN A 123 2.864 10.761 -7.429 1.00 0.00 O ATOM 1993 CB ASN A 123 4.676 11.609 -4.868 1.00 0.00 C ATOM 1994 CG ASN A 123 4.201 12.904 -5.499 1.00 0.00 C ATOM 1995 OD1 ASN A 123 4.677 13.305 -6.562 1.00 0.00 O ATOM 1996 ND2 ASN A 123 3.238 13.553 -4.864 1.00 0.00 N ATOM 0 H ASN A 123 5.136 9.302 -4.069 1.00 0.00 H new ATOM 0 HA ASN A 123 2.785 10.603 -4.905 1.00 0.00 H new ATOM 0 HB2 ASN A 123 4.682 11.718 -3.783 1.00 0.00 H new ATOM 0 HB3 ASN A 123 5.704 11.415 -5.174 1.00 0.00 H new ATOM 0 HD21 ASN A 123 2.864 14.418 -5.253 1.00 0.00 H new ATOM 0 HD22 ASN A 123 2.870 13.188 -3.985 1.00 0.00 H new ATOM 2003 N SER A 124 4.731 9.526 -7.313 1.00 0.00 N ATOM 2004 CA SER A 124 4.773 9.288 -8.749 1.00 0.00 C ATOM 2005 C SER A 124 3.667 8.323 -9.182 1.00 0.00 C ATOM 2006 O SER A 124 3.307 8.268 -10.360 1.00 0.00 O ATOM 2007 CB SER A 124 6.144 8.750 -9.154 1.00 0.00 C ATOM 2008 OG SER A 124 6.516 7.647 -8.345 1.00 0.00 O ATOM 0 H SER A 124 5.492 9.096 -6.788 1.00 0.00 H new ATOM 0 HA SER A 124 4.604 10.238 -9.257 1.00 0.00 H new ATOM 0 HB2 SER A 124 6.125 8.448 -10.201 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.890 9.540 -9.064 1.00 0.00 H new ATOM 0 HG SER A 124 6.910 7.973 -7.509 1.00 0.00 H new ATOM 2014 N PHE A 125 3.123 7.577 -8.227 1.00 0.00 N ATOM 2015 CA PHE A 125 2.053 6.630 -8.510 1.00 0.00 C ATOM 2016 C PHE A 125 0.691 7.277 -8.265 1.00 0.00 C ATOM 2017 O PHE A 125 -0.252 7.077 -9.033 1.00 0.00 O ATOM 2018 CB PHE A 125 2.221 5.387 -7.627 1.00 0.00 C ATOM 2019 CG PHE A 125 1.206 4.306 -7.875 1.00 0.00 C ATOM 2020 CD1 PHE A 125 1.414 3.361 -8.866 1.00 0.00 C ATOM 2021 CD2 PHE A 125 0.049 4.231 -7.117 1.00 0.00 C ATOM 2022 CE1 PHE A 125 0.488 2.363 -9.096 1.00 0.00 C ATOM 2023 CE2 PHE A 125 -0.880 3.236 -7.344 1.00 0.00 C ATOM 2024 CZ PHE A 125 -0.659 2.300 -8.335 1.00 0.00 C ATOM 0 H PHE A 125 3.407 7.611 -7.248 1.00 0.00 H new ATOM 0 HA PHE A 125 2.106 6.333 -9.558 1.00 0.00 H new ATOM 0 HB2 PHE A 125 3.218 4.976 -7.786 1.00 0.00 H new ATOM 0 HB3 PHE A 125 2.164 5.689 -6.581 1.00 0.00 H new ATOM 0 HD1 PHE A 125 2.311 3.405 -9.466 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -0.128 4.959 -6.340 1.00 0.00 H new ATOM 0 HE1 PHE A 125 0.663 1.632 -9.872 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -1.779 3.189 -6.747 1.00 0.00 H new ATOM 0 HZ PHE A 125 -1.384 1.520 -8.513 1.00 0.00 H new ATOM 2034 N GLY A 126 0.608 8.072 -7.208 1.00 0.00 N ATOM 2035 CA GLY A 126 -0.635 8.726 -6.854 1.00 0.00 C ATOM 2036 C GLY A 126 -0.970 8.536 -5.387 1.00 0.00 C ATOM 2037 O GLY A 126 -1.368 7.448 -4.973 1.00 0.00 O ATOM 0 H GLY A 126 1.388 8.277 -6.584 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -0.562 9.791 -7.076 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -1.444 8.327 -7.467 1.00 0.00 H new ATOM 2041 N ASP A 127 -0.811 9.597 -4.603 1.00 0.00 N ATOM 2042 CA ASP A 127 -1.030 9.534 -3.154 1.00 0.00 C ATOM 2043 C ASP A 127 -2.491 9.261 -2.826 1.00 0.00 C ATOM 2044 O ASP A 127 -2.805 8.616 -1.823 1.00 0.00 O ATOM 2045 CB ASP A 127 -0.607 10.842 -2.483 1.00 0.00 C ATOM 2046 CG ASP A 127 0.872 11.132 -2.624 1.00 0.00 C ATOM 2047 OD1 ASP A 127 1.668 10.588 -1.832 1.00 0.00 O ATOM 2048 OD2 ASP A 127 1.241 11.935 -3.511 1.00 0.00 O ATOM 0 H ASP A 127 -0.530 10.516 -4.944 1.00 0.00 H new ATOM 0 HA ASP A 127 -0.421 8.714 -2.773 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -1.175 11.665 -2.916 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -0.863 10.800 -1.424 1.00 0.00 H new ATOM 2053 N TRP A 128 -3.381 9.768 -3.666 1.00 0.00 N ATOM 2054 CA TRP A 128 -4.811 9.584 -3.463 1.00 0.00 C ATOM 2055 C TRP A 128 -5.375 8.557 -4.441 1.00 0.00 C ATOM 2056 O TRP A 128 -6.586 8.477 -4.649 1.00 0.00 O ATOM 2057 CB TRP A 128 -5.540 10.924 -3.601 1.00 0.00 C ATOM 2058 CG TRP A 128 -5.157 11.912 -2.540 1.00 0.00 C ATOM 2059 CD1 TRP A 128 -4.210 12.893 -2.629 1.00 0.00 C ATOM 2060 CD2 TRP A 128 -5.710 12.011 -1.222 1.00 0.00 C ATOM 2061 NE1 TRP A 128 -4.147 13.598 -1.451 1.00 0.00 N ATOM 2062 CE2 TRP A 128 -5.056 13.074 -0.571 1.00 0.00 C ATOM 2063 CE3 TRP A 128 -6.696 11.302 -0.531 1.00 0.00 C ATOM 2064 CZ2 TRP A 128 -5.359 13.446 0.736 1.00 0.00 C ATOM 2065 CZ3 TRP A 128 -6.994 11.671 0.767 1.00 0.00 C ATOM 2066 CH2 TRP A 128 -6.328 12.734 1.389 1.00 0.00 C ATOM 0 H TRP A 128 -3.138 10.310 -4.495 1.00 0.00 H new ATOM 0 HA TRP A 128 -4.969 9.203 -2.454 1.00 0.00 H new ATOM 0 HB2 TRP A 128 -5.324 11.350 -4.581 1.00 0.00 H new ATOM 0 HB3 TRP A 128 -6.616 10.752 -3.558 1.00 0.00 H new ATOM 0 HD1 TRP A 128 -3.600 13.086 -3.499 1.00 0.00 H new ATOM 0 HE1 TRP A 128 -3.524 14.384 -1.263 1.00 0.00 H new ATOM 0 HE3 TRP A 128 -7.216 10.481 -1.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 -4.848 14.267 1.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 -7.754 11.130 1.311 1.00 0.00 H new ATOM 0 HH2 TRP A 128 -6.584 12.997 2.405 1.00 0.00 H new ATOM 2077 N VAL A 129 -4.492 7.755 -5.018 1.00 0.00 N ATOM 2078 CA VAL A 129 -4.896 6.723 -5.959 1.00 0.00 C ATOM 2079 C VAL A 129 -4.732 5.345 -5.325 1.00 0.00 C ATOM 2080 O VAL A 129 -3.755 5.091 -4.625 1.00 0.00 O ATOM 2081 CB VAL A 129 -4.072 6.798 -7.267 1.00 0.00 C ATOM 2082 CG1 VAL A 129 -4.540 5.755 -8.272 1.00 0.00 C ATOM 2083 CG2 VAL A 129 -4.159 8.193 -7.872 1.00 0.00 C ATOM 0 H VAL A 129 -3.487 7.800 -4.849 1.00 0.00 H new ATOM 0 HA VAL A 129 -5.944 6.889 -6.208 1.00 0.00 H new ATOM 0 HB VAL A 129 -3.031 6.587 -7.021 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -3.943 5.832 -9.181 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -4.423 4.759 -7.844 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -5.589 5.926 -8.512 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -3.574 8.228 -8.791 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -5.200 8.429 -8.095 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -3.766 8.922 -7.164 1.00 0.00 H new ATOM 2093 N VAL A 130 -5.701 4.468 -5.556 1.00 0.00 N ATOM 2094 CA VAL A 130 -5.656 3.121 -5.008 1.00 0.00 C ATOM 2095 C VAL A 130 -4.668 2.263 -5.794 1.00 0.00 C ATOM 2096 O VAL A 130 -4.733 2.210 -7.024 1.00 0.00 O ATOM 2097 CB VAL A 130 -7.052 2.455 -5.035 1.00 0.00 C ATOM 2098 CG1 VAL A 130 -6.996 1.037 -4.480 1.00 0.00 C ATOM 2099 CG2 VAL A 130 -8.059 3.292 -4.261 1.00 0.00 C ATOM 0 H VAL A 130 -6.528 4.667 -6.120 1.00 0.00 H new ATOM 0 HA VAL A 130 -5.330 3.197 -3.971 1.00 0.00 H new ATOM 0 HB VAL A 130 -7.375 2.396 -6.074 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -7.992 0.594 -4.512 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -6.313 0.437 -5.082 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -6.643 1.063 -3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -9.035 2.807 -4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -7.733 3.387 -3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -8.132 4.282 -4.711 1.00 0.00 H new ATOM 2109 N PRO A 131 -3.725 1.610 -5.093 1.00 0.00 N ATOM 2110 CA PRO A 131 -2.732 0.728 -5.717 1.00 0.00 C ATOM 2111 C PRO A 131 -3.372 -0.349 -6.587 1.00 0.00 C ATOM 2112 O PRO A 131 -3.988 -1.290 -6.089 1.00 0.00 O ATOM 2113 CB PRO A 131 -2.011 0.099 -4.524 1.00 0.00 C ATOM 2114 CG PRO A 131 -2.188 1.079 -3.421 1.00 0.00 C ATOM 2115 CD PRO A 131 -3.542 1.695 -3.636 1.00 0.00 C ATOM 0 HA PRO A 131 -2.071 1.275 -6.389 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -2.440 -0.869 -4.267 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -0.956 -0.068 -4.741 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -2.131 0.589 -2.449 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -1.405 1.837 -3.442 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -4.321 1.152 -3.100 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -3.575 2.727 -3.286 1.00 0.00 H new ATOM 2123 N TYR A 132 -3.240 -0.182 -7.893 1.00 0.00 N ATOM 2124 CA TYR A 132 -3.792 -1.127 -8.845 1.00 0.00 C ATOM 2125 C TYR A 132 -2.681 -1.975 -9.447 1.00 0.00 C ATOM 2126 O TYR A 132 -1.514 -1.580 -9.430 1.00 0.00 O ATOM 2127 CB TYR A 132 -4.566 -0.390 -9.948 1.00 0.00 C ATOM 2128 CG TYR A 132 -3.792 0.730 -10.617 1.00 0.00 C ATOM 2129 CD1 TYR A 132 -2.930 0.475 -11.677 1.00 0.00 C ATOM 2130 CD2 TYR A 132 -3.929 2.047 -10.191 1.00 0.00 C ATOM 2131 CE1 TYR A 132 -2.231 1.496 -12.292 1.00 0.00 C ATOM 2132 CE2 TYR A 132 -3.235 3.075 -10.805 1.00 0.00 C ATOM 2133 CZ TYR A 132 -2.386 2.793 -11.853 1.00 0.00 C ATOM 2134 OH TYR A 132 -1.696 3.813 -12.472 1.00 0.00 O ATOM 0 H TYR A 132 -2.751 0.606 -8.318 1.00 0.00 H new ATOM 0 HA TYR A 132 -4.486 -1.784 -8.321 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -4.867 -1.111 -10.708 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -5.480 0.022 -9.520 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -2.804 -0.539 -12.026 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -4.589 2.271 -9.366 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -1.565 1.278 -13.114 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -3.358 4.093 -10.465 1.00 0.00 H new ATOM 0 HH TYR A 132 -1.918 4.666 -12.043 1.00 0.00 H new ATOM 2144 N TYR A 133 -3.047 -3.137 -9.974 1.00 0.00 N ATOM 2145 CA TYR A 133 -2.071 -4.028 -10.578 1.00 0.00 C ATOM 2146 C TYR A 133 -1.443 -3.379 -11.808 1.00 0.00 C ATOM 2147 O TYR A 133 -2.122 -2.727 -12.602 1.00 0.00 O ATOM 2148 CB TYR A 133 -2.700 -5.387 -10.924 1.00 0.00 C ATOM 2149 CG TYR A 133 -3.873 -5.325 -11.884 1.00 0.00 C ATOM 2150 CD1 TYR A 133 -5.152 -5.017 -11.436 1.00 0.00 C ATOM 2151 CD2 TYR A 133 -3.701 -5.595 -13.235 1.00 0.00 C ATOM 2152 CE1 TYR A 133 -6.224 -4.978 -12.309 1.00 0.00 C ATOM 2153 CE2 TYR A 133 -4.766 -5.554 -14.113 1.00 0.00 C ATOM 2154 CZ TYR A 133 -6.024 -5.246 -13.647 1.00 0.00 C ATOM 2155 OH TYR A 133 -7.089 -5.215 -14.522 1.00 0.00 O ATOM 0 H TYR A 133 -4.007 -3.481 -9.994 1.00 0.00 H new ATOM 0 HA TYR A 133 -1.280 -4.210 -9.851 1.00 0.00 H new ATOM 0 HB2 TYR A 133 -1.930 -6.027 -11.355 1.00 0.00 H new ATOM 0 HB3 TYR A 133 -3.030 -5.863 -10.001 1.00 0.00 H new ATOM 0 HD1 TYR A 133 -5.311 -4.805 -10.389 1.00 0.00 H new ATOM 0 HD2 TYR A 133 -2.717 -5.841 -13.606 1.00 0.00 H new ATOM 0 HE1 TYR A 133 -7.212 -4.739 -11.945 1.00 0.00 H new ATOM 0 HE2 TYR A 133 -4.612 -5.763 -15.161 1.00 0.00 H new ATOM 0 HH TYR A 133 -6.776 -5.426 -15.426 1.00 0.00 H new ATOM 2165 N ARG A 134 -0.138 -3.566 -11.948 1.00 0.00 N ATOM 2166 CA ARG A 134 0.640 -2.898 -12.985 1.00 0.00 C ATOM 2167 C ARG A 134 0.391 -3.528 -14.354 1.00 0.00 C ATOM 2168 O ARG A 134 0.851 -3.016 -15.378 1.00 0.00 O ATOM 2169 CB ARG A 134 2.127 -2.983 -12.635 1.00 0.00 C ATOM 2170 CG ARG A 134 2.966 -1.830 -13.164 1.00 0.00 C ATOM 2171 CD ARG A 134 2.576 -0.513 -12.515 1.00 0.00 C ATOM 2172 NE ARG A 134 3.707 0.409 -12.438 1.00 0.00 N ATOM 2173 CZ ARG A 134 3.605 1.690 -12.098 1.00 0.00 C ATOM 2174 NH1 ARG A 134 2.414 2.248 -11.903 1.00 0.00 N ATOM 2175 NH2 ARG A 134 4.699 2.422 -11.965 1.00 0.00 N ATOM 0 H ARG A 134 0.411 -4.183 -11.349 1.00 0.00 H new ATOM 0 HA ARG A 134 0.330 -1.854 -13.034 1.00 0.00 H new ATOM 0 HB2 ARG A 134 2.230 -3.023 -11.551 1.00 0.00 H new ATOM 0 HB3 ARG A 134 2.527 -3.917 -13.028 1.00 0.00 H new ATOM 0 HG2 ARG A 134 4.021 -2.031 -12.977 1.00 0.00 H new ATOM 0 HG3 ARG A 134 2.843 -1.755 -14.244 1.00 0.00 H new ATOM 0 HD2 ARG A 134 1.769 -0.052 -13.085 1.00 0.00 H new ATOM 0 HD3 ARG A 134 2.191 -0.701 -11.513 1.00 0.00 H new ATOM 0 HE ARG A 134 4.634 0.046 -12.659 1.00 0.00 H new ATOM 0 HH11 ARG A 134 1.566 1.692 -12.014 1.00 0.00 H new ATOM 0 HH12 ARG A 134 2.348 3.232 -11.642 1.00 0.00 H new ATOM 0 HH21 ARG A 134 5.615 2.003 -12.123 1.00 0.00 H new ATOM 0 HH22 ARG A 134 4.626 3.405 -11.704 1.00 0.00 H new