USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 662 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 67 THR OG1 : rot 180:sc= -0.148 USER MOD Set 1.2: A 68 HIS : no HD1:sc= 0 X(o=-0.15,f=-0.15) USER MOD Set 2.1: A 48 CYS SG : rot 120:sc= 2.36 USER MOD Set 2.2: A 54 SER OG : rot -87:sc= 0.91 USER MOD Set 2.3: A 71 ASN : amide:sc= -0.0841 K(o=3.2,f=0.7!) USER MOD Set 3.1: A 12 GLN : amide:sc= 0.679 K(o=3.4,f=-9.3!) USER MOD Set 3.2: A 49 ASN : amide:sc= 1.82 K(o=3.4,f=-8.5!) USER MOD Set 3.3: A 76 LYS NZ :NH3+ 163:sc= 0.948 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0747 X(o=-0.075,f=0) USER MOD Single : A 13 TYR OH : rot 1:sc= 1.26 USER MOD Single : A 14 GLN : amide:sc= 0.763 K(o=0.76,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.866 K(o=0.87,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 0.833 K(o=0.83,f=-2.9!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 0.747 K(o=0.75,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 40:sc= 0.99 USER MOD Single : A 40 LYS NZ :NH3+ -173:sc= 1.23 (180deg=1.19) USER MOD Single : A 41 ASN : amide:sc= -0.0246 X(o=-0.025,f=-0.025) USER MOD Single : A 43 THR OG1 : rot 84:sc= 0.959 USER MOD Single : A 45 LYS NZ :NH3+ 148:sc= 1.24 (180deg=1.08) USER MOD Single : A 47 TYR OH : rot 180:sc= 0.209 USER MOD Single : A 53 GLN : amide:sc= 0.626 K(o=0.63,f=0) USER MOD Single : A 56 GLN : amide:sc= 0.09 X(o=0.09,f=-0.35) USER MOD Single : A 58 LYS NZ :NH3+ -178:sc= 1.24 (180deg=1.16) USER MOD Single : A 62 SER OG : rot 83:sc= 1.26 USER MOD Single : A 64 MET CE :methyl 170:sc= 0 (180deg=-0.127) USER MOD Single : A 66 TYR OH : rot -163:sc= 1.26 USER MOD Single : A 80 MET CE :methyl 175:sc= 0 (180deg=-0.0293) USER MOD Single : A 82 LYS NZ :NH3+ -117:sc= 1.76 (180deg=0.158) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.389 0.066 1.245 1.00 0.00 N ATOM 2 CA ALA A 1 1.077 -0.002 -0.201 1.00 0.00 C ATOM 3 C ALA A 1 1.712 -1.257 -0.815 1.00 0.00 C ATOM 4 O ALA A 1 2.731 -1.167 -1.504 1.00 0.00 O ATOM 5 CB ALA A 1 1.513 1.290 -0.923 1.00 0.00 C ATOM 0 H1 ALA A 1 0.956 0.918 1.654 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.011 -0.777 1.722 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.420 0.105 1.376 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.003 -0.080 -0.330 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.272 1.213 -1.983 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.988 2.142 -0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.588 1.428 -0.804 1.00 0.00 H new ATOM 13 N GLU A 2 1.143 -2.443 -0.576 1.00 0.00 N ATOM 14 CA GLU A 2 1.696 -3.732 -0.987 1.00 0.00 C ATOM 15 C GLU A 2 0.538 -4.719 -1.184 1.00 0.00 C ATOM 16 O GLU A 2 -0.423 -4.709 -0.411 1.00 0.00 O ATOM 17 CB GLU A 2 2.653 -4.227 0.117 1.00 0.00 C ATOM 18 CG GLU A 2 3.314 -5.581 -0.184 1.00 0.00 C ATOM 19 CD GLU A 2 4.146 -6.087 1.006 1.00 0.00 C ATOM 20 OE1 GLU A 2 5.275 -5.590 1.216 1.00 0.00 O ATOM 21 OE2 GLU A 2 3.700 -7.021 1.709 1.00 0.00 O ATOM 0 H GLU A 2 0.258 -2.532 -0.076 1.00 0.00 H new ATOM 0 HA GLU A 2 2.248 -3.643 -1.923 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.433 -3.480 0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.100 -4.305 1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.546 -6.314 -0.428 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.954 -5.486 -1.061 1.00 0.00 H new ATOM 28 N HIS A 3 0.671 -5.595 -2.180 1.00 0.00 N ATOM 29 CA HIS A 3 -0.154 -6.773 -2.420 1.00 0.00 C ATOM 30 C HIS A 3 0.790 -7.888 -2.869 1.00 0.00 C ATOM 31 O HIS A 3 1.913 -7.613 -3.296 1.00 0.00 O ATOM 32 CB HIS A 3 -1.184 -6.529 -3.534 1.00 0.00 C ATOM 33 CG HIS A 3 -2.169 -5.417 -3.279 1.00 0.00 C ATOM 34 ND1 HIS A 3 -3.006 -5.276 -2.194 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.439 -4.383 -4.132 1.00 0.00 C ATOM 36 CE1 HIS A 3 -3.750 -4.173 -2.386 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.447 -3.595 -3.563 1.00 0.00 N ATOM 0 H HIS A 3 1.403 -5.492 -2.882 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.700 -7.025 -1.511 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.648 -6.311 -4.458 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.740 -7.452 -3.698 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.957 -4.205 -5.082 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.489 -3.802 -1.691 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -3.866 -2.754 -3.960 1.00 0.00 H new ATOM 45 N TRP A 4 0.319 -9.132 -2.853 1.00 0.00 N ATOM 46 CA TRP A 4 1.064 -10.276 -3.352 1.00 0.00 C ATOM 47 C TRP A 4 0.133 -11.022 -4.292 1.00 0.00 C ATOM 48 O TRP A 4 -0.932 -11.478 -3.865 1.00 0.00 O ATOM 49 CB TRP A 4 1.485 -11.187 -2.192 1.00 0.00 C ATOM 50 CG TRP A 4 2.557 -10.664 -1.289 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.409 -9.678 -0.378 1.00 0.00 C ATOM 52 CD2 TRP A 4 3.946 -11.103 -1.173 1.00 0.00 C ATOM 53 NE1 TRP A 4 3.600 -9.459 0.276 1.00 0.00 N ATOM 54 CE2 TRP A 4 4.585 -10.317 -0.165 1.00 0.00 C ATOM 55 CE3 TRP A 4 4.730 -12.091 -1.810 1.00 0.00 C ATOM 56 CZ2 TRP A 4 5.933 -10.498 0.183 1.00 0.00 C ATOM 57 CZ3 TRP A 4 6.076 -12.289 -1.455 1.00 0.00 C ATOM 58 CH2 TRP A 4 6.682 -11.488 -0.473 1.00 0.00 C ATOM 0 H TRP A 4 -0.602 -9.373 -2.488 1.00 0.00 H new ATOM 0 HA TRP A 4 1.972 -9.958 -3.865 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.603 -11.400 -1.588 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.822 -12.136 -2.608 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.491 -9.141 -0.190 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.737 -8.750 0.997 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.288 -12.704 -2.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.388 -9.884 0.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.649 -13.064 -1.942 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.723 -11.633 -0.223 1.00 0.00 H new ATOM 69 N ILE A 5 0.528 -11.139 -5.557 1.00 0.00 N ATOM 70 CA ILE A 5 -0.255 -11.779 -6.598 1.00 0.00 C ATOM 71 C ILE A 5 0.659 -12.865 -7.163 1.00 0.00 C ATOM 72 O ILE A 5 1.601 -12.593 -7.907 1.00 0.00 O ATOM 73 CB ILE A 5 -0.747 -10.765 -7.662 1.00 0.00 C ATOM 74 CG1 ILE A 5 -1.334 -9.445 -7.101 1.00 0.00 C ATOM 75 CG2 ILE A 5 -1.773 -11.452 -8.582 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.639 -9.539 -6.310 1.00 0.00 C ATOM 0 H ILE A 5 1.423 -10.781 -5.890 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.179 -12.212 -6.216 1.00 0.00 H new ATOM 0 HB ILE A 5 0.143 -10.461 -8.213 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.582 -8.988 -6.458 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.495 -8.765 -7.937 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.122 -10.742 -9.332 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.305 -12.303 -9.077 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.619 -11.798 -7.989 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.935 -8.544 -5.977 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.420 -9.957 -6.945 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.493 -10.183 -5.443 1.00 0.00 H new ATOM 88 N ASP A 6 0.423 -14.097 -6.730 1.00 0.00 N ATOM 89 CA ASP A 6 1.052 -15.289 -7.276 1.00 0.00 C ATOM 90 C ASP A 6 0.673 -15.412 -8.753 1.00 0.00 C ATOM 91 O ASP A 6 -0.517 -15.344 -9.074 1.00 0.00 O ATOM 92 CB ASP A 6 0.516 -16.495 -6.504 1.00 0.00 C ATOM 93 CG ASP A 6 1.098 -17.824 -6.968 1.00 0.00 C ATOM 94 OD1 ASP A 6 2.132 -17.842 -7.661 1.00 0.00 O ATOM 95 OD2 ASP A 6 0.471 -18.867 -6.667 1.00 0.00 O ATOM 0 H ASP A 6 -0.228 -14.298 -5.971 1.00 0.00 H new ATOM 0 HA ASP A 6 2.137 -15.237 -7.186 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.733 -16.363 -5.444 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.569 -16.528 -6.605 1.00 0.00 H new ATOM 100 N VAL A 7 1.652 -15.604 -9.640 1.00 0.00 N ATOM 101 CA VAL A 7 1.428 -15.721 -11.085 1.00 0.00 C ATOM 102 C VAL A 7 1.641 -17.156 -11.584 1.00 0.00 C ATOM 103 O VAL A 7 1.590 -17.414 -12.790 1.00 0.00 O ATOM 104 CB VAL A 7 2.253 -14.675 -11.861 1.00 0.00 C ATOM 105 CG1 VAL A 7 1.931 -13.243 -11.411 1.00 0.00 C ATOM 106 CG2 VAL A 7 3.768 -14.911 -11.770 1.00 0.00 C ATOM 0 H VAL A 7 2.633 -15.684 -9.374 1.00 0.00 H new ATOM 0 HA VAL A 7 0.380 -15.496 -11.283 1.00 0.00 H new ATOM 0 HB VAL A 7 1.959 -14.798 -12.903 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.534 -12.538 -11.983 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.874 -13.037 -11.580 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.156 -13.136 -10.350 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.291 -14.141 -12.337 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.081 -14.869 -10.727 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.009 -15.891 -12.181 1.00 0.00 H new ATOM 116 N ARG A 8 1.905 -18.090 -10.666 1.00 0.00 N ATOM 117 CA ARG A 8 1.967 -19.529 -10.911 1.00 0.00 C ATOM 118 C ARG A 8 0.620 -20.037 -11.420 1.00 0.00 C ATOM 119 O ARG A 8 -0.409 -19.382 -11.223 1.00 0.00 O ATOM 120 CB ARG A 8 2.249 -20.152 -9.541 1.00 0.00 C ATOM 121 CG ARG A 8 2.689 -21.607 -9.411 1.00 0.00 C ATOM 122 CD ARG A 8 3.060 -21.938 -7.948 1.00 0.00 C ATOM 123 NE ARG A 8 2.215 -21.255 -6.946 1.00 0.00 N ATOM 124 CZ ARG A 8 1.845 -21.707 -5.747 1.00 0.00 C ATOM 125 NH1 ARG A 8 2.177 -22.917 -5.310 1.00 0.00 N ATOM 126 NH2 ARG A 8 1.123 -20.919 -4.971 1.00 0.00 N ATOM 0 H ARG A 8 2.089 -17.851 -9.691 1.00 0.00 H new ATOM 0 HA ARG A 8 2.723 -19.779 -11.655 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.018 -19.543 -9.067 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.342 -20.039 -8.947 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.888 -22.266 -9.746 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.546 -21.792 -10.059 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.984 -23.015 -7.799 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.101 -21.665 -7.777 1.00 0.00 H new ATOM 0 HE ARG A 8 1.874 -20.328 -7.202 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.734 -23.537 -5.898 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.875 -23.226 -4.386 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.861 -19.987 -5.293 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.828 -21.242 -4.050 1.00 0.00 H new ATOM 140 N VAL A 9 0.605 -21.243 -11.985 1.00 0.00 N ATOM 141 CA VAL A 9 -0.646 -21.923 -12.300 1.00 0.00 C ATOM 142 C VAL A 9 -1.478 -22.127 -11.017 1.00 0.00 C ATOM 143 O VAL A 9 -0.910 -22.389 -9.950 1.00 0.00 O ATOM 144 CB VAL A 9 -0.383 -23.234 -13.074 1.00 0.00 C ATOM 145 CG1 VAL A 9 0.202 -22.932 -14.462 1.00 0.00 C ATOM 146 CG2 VAL A 9 0.551 -24.209 -12.338 1.00 0.00 C ATOM 0 H VAL A 9 1.444 -21.767 -12.233 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.241 -21.297 -12.965 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.354 -23.722 -13.164 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.381 -23.867 -14.993 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.502 -22.322 -15.029 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.142 -22.392 -14.351 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.689 -25.106 -12.942 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.517 -23.732 -12.171 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.110 -24.481 -11.379 1.00 0.00 H new ATOM 156 N PRO A 10 -2.818 -22.029 -11.091 1.00 0.00 N ATOM 157 CA PRO A 10 -3.671 -22.002 -9.906 1.00 0.00 C ATOM 158 C PRO A 10 -3.785 -23.374 -9.231 1.00 0.00 C ATOM 159 O PRO A 10 -4.154 -23.463 -8.060 1.00 0.00 O ATOM 160 CB PRO A 10 -5.024 -21.499 -10.413 1.00 0.00 C ATOM 161 CG PRO A 10 -5.073 -21.998 -11.853 1.00 0.00 C ATOM 162 CD PRO A 10 -3.620 -21.844 -12.295 1.00 0.00 C ATOM 0 HA PRO A 10 -3.258 -21.357 -9.131 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -5.848 -21.899 -9.822 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.093 -20.412 -10.362 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.410 -23.033 -11.914 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.751 -21.405 -12.467 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.362 -22.582 -13.054 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.446 -20.861 -12.734 1.00 0.00 H new ATOM 170 N GLU A 11 -3.467 -24.456 -9.944 1.00 0.00 N ATOM 171 CA GLU A 11 -3.473 -25.810 -9.396 1.00 0.00 C ATOM 172 C GLU A 11 -2.477 -25.933 -8.239 1.00 0.00 C ATOM 173 O GLU A 11 -2.765 -26.621 -7.260 1.00 0.00 O ATOM 174 CB GLU A 11 -3.147 -26.830 -10.498 1.00 0.00 C ATOM 175 CG GLU A 11 -4.228 -26.874 -11.588 1.00 0.00 C ATOM 176 CD GLU A 11 -3.932 -27.964 -12.634 1.00 0.00 C ATOM 177 OE1 GLU A 11 -3.242 -27.680 -13.640 1.00 0.00 O ATOM 178 OE2 GLU A 11 -4.402 -29.114 -12.473 1.00 0.00 O ATOM 0 H GLU A 11 -3.196 -24.415 -10.926 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.470 -26.020 -9.008 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.188 -26.579 -10.950 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.041 -27.820 -10.054 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.200 -27.062 -11.131 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.289 -25.903 -12.080 1.00 0.00 H new ATOM 185 N GLN A 12 -1.331 -25.242 -8.315 1.00 0.00 N ATOM 186 CA GLN A 12 -0.304 -25.306 -7.281 1.00 0.00 C ATOM 187 C GLN A 12 -0.656 -24.390 -6.102 1.00 0.00 C ATOM 188 O GLN A 12 -0.338 -24.722 -4.960 1.00 0.00 O ATOM 189 CB GLN A 12 1.061 -24.958 -7.887 1.00 0.00 C ATOM 190 CG GLN A 12 1.547 -26.006 -8.905 1.00 0.00 C ATOM 191 CD GLN A 12 2.914 -25.665 -9.509 1.00 0.00 C ATOM 192 OE1 GLN A 12 3.771 -25.055 -8.873 1.00 0.00 O ATOM 193 NE2 GLN A 12 3.158 -26.044 -10.752 1.00 0.00 N ATOM 0 H GLN A 12 -1.096 -24.627 -9.094 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.253 -26.322 -6.889 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.999 -23.985 -8.375 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.796 -24.867 -7.087 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.604 -26.979 -8.417 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.813 -26.094 -9.706 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.447 -26.550 -11.280 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.057 -25.830 -11.183 1.00 0.00 H new ATOM 202 N TYR A 13 -1.365 -23.278 -6.340 1.00 0.00 N ATOM 203 CA TYR A 13 -1.897 -22.423 -5.274 1.00 0.00 C ATOM 204 C TYR A 13 -2.834 -23.214 -4.360 1.00 0.00 C ATOM 205 O TYR A 13 -2.805 -23.041 -3.141 1.00 0.00 O ATOM 206 CB TYR A 13 -2.593 -21.205 -5.900 1.00 0.00 C ATOM 207 CG TYR A 13 -3.223 -20.227 -4.923 1.00 0.00 C ATOM 208 CD1 TYR A 13 -2.462 -19.171 -4.387 1.00 0.00 C ATOM 209 CD2 TYR A 13 -4.593 -20.324 -4.608 1.00 0.00 C ATOM 210 CE1 TYR A 13 -3.064 -18.194 -3.575 1.00 0.00 C ATOM 211 CE2 TYR A 13 -5.200 -19.363 -3.779 1.00 0.00 C ATOM 212 CZ TYR A 13 -4.440 -18.286 -3.265 1.00 0.00 C ATOM 213 OH TYR A 13 -5.048 -17.336 -2.501 1.00 0.00 O ATOM 0 H TYR A 13 -1.585 -22.947 -7.279 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.079 -22.065 -4.649 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.864 -20.666 -6.505 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.368 -21.562 -6.578 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.405 -19.111 -4.602 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.180 -21.140 -5.005 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.476 -17.375 -3.189 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.249 -19.448 -3.534 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.398 -16.642 -2.263 1.00 0.00 H new ATOM 223 N GLN A 14 -3.606 -24.139 -4.934 1.00 0.00 N ATOM 224 CA GLN A 14 -4.486 -25.039 -4.195 1.00 0.00 C ATOM 225 C GLN A 14 -3.713 -26.131 -3.425 1.00 0.00 C ATOM 226 O GLN A 14 -4.348 -26.951 -2.760 1.00 0.00 O ATOM 227 CB GLN A 14 -5.515 -25.635 -5.174 1.00 0.00 C ATOM 228 CG GLN A 14 -6.499 -24.567 -5.684 1.00 0.00 C ATOM 229 CD GLN A 14 -7.267 -25.055 -6.911 1.00 0.00 C ATOM 230 OE1 GLN A 14 -8.302 -25.709 -6.809 1.00 0.00 O ATOM 231 NE2 GLN A 14 -6.769 -24.747 -8.098 1.00 0.00 N ATOM 0 H GLN A 14 -3.636 -24.284 -5.943 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.007 -24.468 -3.426 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.995 -26.084 -6.020 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.068 -26.433 -4.679 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.202 -24.310 -4.892 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.953 -23.657 -5.933 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.909 -24.203 -8.165 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.246 -25.053 -8.946 1.00 0.00 H new ATOM 240 N GLN A 15 -2.371 -26.161 -3.484 1.00 0.00 N ATOM 241 CA GLN A 15 -1.543 -27.071 -2.694 1.00 0.00 C ATOM 242 C GLN A 15 -0.814 -26.295 -1.597 1.00 0.00 C ATOM 243 O GLN A 15 -0.851 -26.708 -0.439 1.00 0.00 O ATOM 244 CB GLN A 15 -0.540 -27.850 -3.568 1.00 0.00 C ATOM 245 CG GLN A 15 -1.104 -28.450 -4.865 1.00 0.00 C ATOM 246 CD GLN A 15 -2.433 -29.192 -4.711 1.00 0.00 C ATOM 247 OE1 GLN A 15 -2.584 -30.083 -3.878 1.00 0.00 O ATOM 248 NE2 GLN A 15 -3.419 -28.843 -5.524 1.00 0.00 N ATOM 0 H GLN A 15 -1.830 -25.545 -4.090 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.204 -27.807 -2.235 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.282 -27.182 -3.827 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.118 -28.658 -2.970 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.235 -27.648 -5.591 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.367 -29.138 -5.280 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.276 -28.101 -6.210 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.321 -29.316 -5.464 1.00 0.00 H new ATOM 257 N GLU A 16 -0.207 -25.155 -1.932 1.00 0.00 N ATOM 258 CA GLU A 16 0.419 -24.246 -0.974 1.00 0.00 C ATOM 259 C GLU A 16 0.467 -22.844 -1.582 1.00 0.00 C ATOM 260 O GLU A 16 0.663 -22.693 -2.794 1.00 0.00 O ATOM 261 CB GLU A 16 1.838 -24.738 -0.620 1.00 0.00 C ATOM 262 CG GLU A 16 2.515 -23.929 0.502 1.00 0.00 C ATOM 263 CD GLU A 16 3.966 -24.377 0.741 1.00 0.00 C ATOM 264 OE1 GLU A 16 4.193 -25.536 1.156 1.00 0.00 O ATOM 265 OE2 GLU A 16 4.884 -23.550 0.538 1.00 0.00 O ATOM 0 H GLU A 16 -0.136 -24.833 -2.897 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.165 -24.219 -0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.785 -25.784 -0.319 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.461 -24.694 -1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.500 -22.870 0.245 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.945 -24.041 1.424 1.00 0.00 H new ATOM 272 N HIS A 17 0.351 -21.813 -0.746 1.00 0.00 N ATOM 273 CA HIS A 17 0.576 -20.423 -1.114 1.00 0.00 C ATOM 274 C HIS A 17 1.032 -19.624 0.108 1.00 0.00 C ATOM 275 O HIS A 17 0.851 -20.062 1.247 1.00 0.00 O ATOM 276 CB HIS A 17 -0.699 -19.842 -1.738 1.00 0.00 C ATOM 277 CG HIS A 17 -1.978 -20.029 -0.954 1.00 0.00 C ATOM 278 ND1 HIS A 17 -2.854 -21.086 -1.073 1.00 0.00 N ATOM 279 CD2 HIS A 17 -2.561 -19.124 -0.107 1.00 0.00 C ATOM 280 CE1 HIS A 17 -3.927 -20.828 -0.309 1.00 0.00 C ATOM 281 NE2 HIS A 17 -3.797 -19.638 0.307 1.00 0.00 N ATOM 0 H HIS A 17 0.090 -21.929 0.233 1.00 0.00 H new ATOM 0 HA HIS A 17 1.370 -20.361 -1.858 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.547 -18.774 -1.893 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.833 -20.291 -2.722 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -2.712 -21.920 -1.643 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -2.140 -18.175 0.191 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.778 -21.485 -0.203 1.00 0.00 H new ATOM 289 N VAL A 18 1.639 -18.458 -0.128 1.00 0.00 N ATOM 290 CA VAL A 18 1.988 -17.511 0.928 1.00 0.00 C ATOM 291 C VAL A 18 0.685 -17.054 1.590 1.00 0.00 C ATOM 292 O VAL A 18 -0.295 -16.763 0.897 1.00 0.00 O ATOM 293 CB VAL A 18 2.789 -16.324 0.348 1.00 0.00 C ATOM 294 CG1 VAL A 18 3.214 -15.332 1.442 1.00 0.00 C ATOM 295 CG2 VAL A 18 4.058 -16.801 -0.373 1.00 0.00 C ATOM 0 H VAL A 18 1.902 -18.145 -1.062 1.00 0.00 H new ATOM 0 HA VAL A 18 2.629 -17.980 1.675 1.00 0.00 H new ATOM 0 HB VAL A 18 2.122 -15.829 -0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.775 -14.513 0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.328 -14.936 1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.841 -15.843 2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.597 -15.940 -0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.696 -17.337 0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.783 -17.465 -1.193 1.00 0.00 H new ATOM 305 N GLN A 19 0.671 -16.991 2.923 1.00 0.00 N ATOM 306 CA GLN A 19 -0.497 -16.602 3.700 1.00 0.00 C ATOM 307 C GLN A 19 -1.030 -15.246 3.214 1.00 0.00 C ATOM 308 O GLN A 19 -0.314 -14.243 3.242 1.00 0.00 O ATOM 309 CB GLN A 19 -0.116 -16.602 5.191 1.00 0.00 C ATOM 310 CG GLN A 19 -1.297 -16.303 6.124 1.00 0.00 C ATOM 311 CD GLN A 19 -0.879 -16.411 7.591 1.00 0.00 C ATOM 312 OE1 GLN A 19 -1.081 -17.435 8.240 1.00 0.00 O ATOM 313 NE2 GLN A 19 -0.276 -15.371 8.147 1.00 0.00 N ATOM 0 H GLN A 19 1.485 -17.213 3.497 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.310 -17.314 3.563 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.305 -17.573 5.450 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.666 -15.861 5.358 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.678 -15.302 5.924 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.110 -17.000 5.922 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.112 -14.525 7.601 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.024 -15.416 9.121 1.00 0.00 H new ATOM 322 N GLY A 20 -2.290 -15.227 2.770 1.00 0.00 N ATOM 323 CA GLY A 20 -3.010 -14.018 2.385 1.00 0.00 C ATOM 324 C GLY A 20 -2.741 -13.548 0.950 1.00 0.00 C ATOM 325 O GLY A 20 -3.359 -12.570 0.524 1.00 0.00 O ATOM 0 H GLY A 20 -2.848 -16.075 2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.079 -14.194 2.502 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.742 -13.216 3.073 1.00 0.00 H new ATOM 329 N ALA A 21 -1.845 -14.199 0.197 1.00 0.00 N ATOM 330 CA ALA A 21 -1.588 -13.838 -1.194 1.00 0.00 C ATOM 331 C ALA A 21 -2.774 -14.227 -2.082 1.00 0.00 C ATOM 332 O ALA A 21 -3.450 -15.229 -1.829 1.00 0.00 O ATOM 333 CB ALA A 21 -0.316 -14.530 -1.686 1.00 0.00 C ATOM 0 H ALA A 21 -1.285 -14.982 0.535 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.454 -12.758 -1.252 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.131 -14.256 -2.725 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.529 -14.218 -1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.438 -15.611 -1.612 1.00 0.00 H new ATOM 339 N ILE A 22 -2.987 -13.464 -3.153 1.00 0.00 N ATOM 340 CA ILE A 22 -3.918 -13.802 -4.229 1.00 0.00 C ATOM 341 C ILE A 22 -3.150 -14.697 -5.214 1.00 0.00 C ATOM 342 O ILE A 22 -1.917 -14.692 -5.221 1.00 0.00 O ATOM 343 CB ILE A 22 -4.405 -12.511 -4.949 1.00 0.00 C ATOM 344 CG1 ILE A 22 -4.668 -11.296 -4.027 1.00 0.00 C ATOM 345 CG2 ILE A 22 -5.664 -12.751 -5.807 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.731 -11.512 -2.940 1.00 0.00 C ATOM 0 H ILE A 22 -2.508 -12.576 -3.300 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.797 -14.313 -3.836 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.555 -12.258 -5.583 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.731 -11.018 -3.545 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.971 -10.451 -4.645 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.961 -11.818 -6.287 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.447 -13.498 -6.570 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.475 -13.106 -5.171 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.838 -10.602 -2.350 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.685 -11.756 -3.407 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.425 -12.332 -2.290 1.00 0.00 H new ATOM 358 N ASN A 23 -3.857 -15.405 -6.097 1.00 0.00 N ATOM 359 CA ASN A 23 -3.267 -16.037 -7.273 1.00 0.00 C ATOM 360 C ASN A 23 -4.107 -15.634 -8.463 1.00 0.00 C ATOM 361 O ASN A 23 -5.336 -15.736 -8.423 1.00 0.00 O ATOM 362 CB ASN A 23 -3.176 -17.566 -7.174 1.00 0.00 C ATOM 363 CG ASN A 23 -2.780 -18.220 -8.505 1.00 0.00 C ATOM 364 OD1 ASN A 23 -3.572 -18.291 -9.437 1.00 0.00 O ATOM 365 ND2 ASN A 23 -1.564 -18.721 -8.638 1.00 0.00 N ATOM 0 H ASN A 23 -4.862 -15.555 -6.013 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.236 -15.697 -7.368 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.446 -17.834 -6.410 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.138 -17.964 -6.850 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.288 -19.165 -9.514 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.902 -18.664 -7.865 1.00 0.00 H new ATOM 372 N ILE A 24 -3.425 -15.184 -9.509 1.00 0.00 N ATOM 373 CA ILE A 24 -4.004 -14.965 -10.818 1.00 0.00 C ATOM 374 C ILE A 24 -2.892 -15.403 -11.776 1.00 0.00 C ATOM 375 O ILE A 24 -1.826 -14.784 -11.749 1.00 0.00 O ATOM 376 CB ILE A 24 -4.423 -13.490 -11.039 1.00 0.00 C ATOM 377 CG1 ILE A 24 -5.258 -12.885 -9.884 1.00 0.00 C ATOM 378 CG2 ILE A 24 -5.165 -13.431 -12.376 1.00 0.00 C ATOM 379 CD1 ILE A 24 -5.641 -11.412 -10.068 1.00 0.00 C ATOM 0 H ILE A 24 -2.431 -14.958 -9.464 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.929 -15.522 -10.965 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.527 -12.869 -11.057 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.170 -13.471 -9.769 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.695 -12.986 -8.956 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.480 -12.406 -12.573 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.503 -13.767 -13.174 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.041 -14.078 -12.335 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.224 -11.078 -9.210 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.737 -10.809 -10.150 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.235 -11.301 -10.975 1.00 0.00 H new ATOM 391 N PRO A 25 -3.078 -16.459 -12.587 1.00 0.00 N ATOM 392 CA PRO A 25 -2.006 -16.977 -13.423 1.00 0.00 C ATOM 393 C PRO A 25 -1.576 -15.902 -14.426 1.00 0.00 C ATOM 394 O PRO A 25 -2.385 -15.067 -14.835 1.00 0.00 O ATOM 395 CB PRO A 25 -2.565 -18.252 -14.059 1.00 0.00 C ATOM 396 CG PRO A 25 -4.075 -18.020 -14.077 1.00 0.00 C ATOM 397 CD PRO A 25 -4.313 -17.194 -12.813 1.00 0.00 C ATOM 0 HA PRO A 25 -1.097 -17.226 -12.875 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.172 -18.403 -15.064 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.303 -19.136 -13.478 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.390 -17.486 -14.973 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.628 -18.959 -14.055 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.155 -16.514 -12.942 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.548 -17.836 -11.964 1.00 0.00 H new ATOM 405 N LEU A 26 -0.301 -15.922 -14.826 1.00 0.00 N ATOM 406 CA LEU A 26 0.341 -14.834 -15.571 1.00 0.00 C ATOM 407 C LEU A 26 -0.429 -14.376 -16.819 1.00 0.00 C ATOM 408 O LEU A 26 -0.519 -13.177 -17.080 1.00 0.00 O ATOM 409 CB LEU A 26 1.775 -15.271 -15.925 1.00 0.00 C ATOM 410 CG LEU A 26 2.649 -14.198 -16.606 1.00 0.00 C ATOM 411 CD1 LEU A 26 2.675 -12.876 -15.830 1.00 0.00 C ATOM 412 CD2 LEU A 26 4.079 -14.735 -16.711 1.00 0.00 C ATOM 0 H LEU A 26 0.324 -16.706 -14.639 1.00 0.00 H new ATOM 0 HA LEU A 26 0.351 -13.955 -14.926 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.274 -15.594 -15.011 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.720 -16.139 -16.582 1.00 0.00 H new ATOM 0 HG LEU A 26 2.220 -13.993 -17.587 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.305 -12.158 -16.355 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.662 -12.480 -15.751 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.076 -13.048 -14.831 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.713 -13.990 -17.191 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.462 -14.949 -15.713 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.082 -15.649 -17.304 1.00 0.00 H new ATOM 424 N LYS A 27 -1.020 -15.307 -17.572 1.00 0.00 N ATOM 425 CA LYS A 27 -1.820 -14.987 -18.753 1.00 0.00 C ATOM 426 C LYS A 27 -2.987 -14.065 -18.390 1.00 0.00 C ATOM 427 O LYS A 27 -3.290 -13.136 -19.138 1.00 0.00 O ATOM 428 CB LYS A 27 -2.301 -16.300 -19.396 1.00 0.00 C ATOM 429 CG LYS A 27 -3.057 -16.066 -20.712 1.00 0.00 C ATOM 430 CD LYS A 27 -3.432 -17.400 -21.377 1.00 0.00 C ATOM 431 CE LYS A 27 -4.257 -17.208 -22.660 1.00 0.00 C ATOM 432 NZ LYS A 27 -3.483 -16.587 -23.766 1.00 0.00 N ATOM 0 H LYS A 27 -0.956 -16.306 -17.378 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.211 -14.445 -19.477 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.443 -16.945 -19.583 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.950 -16.827 -18.697 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.959 -15.486 -20.519 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.439 -15.478 -21.391 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.523 -17.953 -21.613 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.000 -18.007 -20.672 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.636 -18.176 -22.989 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.124 -16.585 -22.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.093 -16.484 -24.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.143 -15.650 -23.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.670 -17.191 -24.003 1.00 0.00 H new ATOM 446 N GLU A 28 -3.636 -14.310 -17.251 1.00 0.00 N ATOM 447 CA GLU A 28 -4.783 -13.545 -16.794 1.00 0.00 C ATOM 448 C GLU A 28 -4.365 -12.294 -16.032 1.00 0.00 C ATOM 449 O GLU A 28 -5.037 -11.275 -16.161 1.00 0.00 O ATOM 450 CB GLU A 28 -5.686 -14.433 -15.919 1.00 0.00 C ATOM 451 CG GLU A 28 -7.040 -14.655 -16.595 1.00 0.00 C ATOM 452 CD GLU A 28 -7.899 -15.674 -15.827 1.00 0.00 C ATOM 453 OE1 GLU A 28 -8.278 -15.396 -14.668 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.218 -16.749 -16.388 1.00 0.00 O ATOM 0 H GLU A 28 -3.370 -15.060 -16.613 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.339 -13.216 -17.672 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.200 -15.393 -15.742 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.832 -13.965 -14.945 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.573 -13.707 -16.662 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.884 -15.006 -17.615 1.00 0.00 H new ATOM 461 N VAL A 29 -3.277 -12.328 -15.255 1.00 0.00 N ATOM 462 CA VAL A 29 -2.895 -11.198 -14.397 1.00 0.00 C ATOM 463 C VAL A 29 -2.665 -9.942 -15.230 1.00 0.00 C ATOM 464 O VAL A 29 -3.033 -8.848 -14.816 1.00 0.00 O ATOM 465 CB VAL A 29 -1.683 -11.554 -13.508 1.00 0.00 C ATOM 466 CG1 VAL A 29 -0.303 -11.304 -14.131 1.00 0.00 C ATOM 467 CG2 VAL A 29 -1.730 -10.790 -12.177 1.00 0.00 C ATOM 0 H VAL A 29 -2.644 -13.126 -15.202 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.721 -10.983 -13.719 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.784 -12.630 -13.370 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.474 -11.588 -13.421 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.200 -11.899 -15.039 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.201 -10.247 -14.377 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.865 -11.060 -11.572 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.716 -9.718 -12.372 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.643 -11.049 -11.641 1.00 0.00 H new ATOM 477 N LYS A 30 -2.128 -10.111 -16.437 1.00 0.00 N ATOM 478 CA LYS A 30 -1.861 -9.020 -17.368 1.00 0.00 C ATOM 479 C LYS A 30 -3.133 -8.272 -17.802 1.00 0.00 C ATOM 480 O LYS A 30 -3.038 -7.195 -18.386 1.00 0.00 O ATOM 481 CB LYS A 30 -1.055 -9.588 -18.551 1.00 0.00 C ATOM 482 CG LYS A 30 -0.262 -8.500 -19.289 1.00 0.00 C ATOM 483 CD LYS A 30 0.542 -9.098 -20.452 1.00 0.00 C ATOM 484 CE LYS A 30 1.229 -7.983 -21.255 1.00 0.00 C ATOM 485 NZ LYS A 30 1.975 -8.511 -22.426 1.00 0.00 N ATOM 0 H LYS A 30 -1.862 -11.026 -16.800 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.269 -8.254 -16.867 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.368 -10.352 -18.187 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.734 -10.077 -19.249 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.946 -7.740 -19.668 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.414 -8.002 -18.593 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.290 -9.792 -20.067 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.119 -9.670 -21.103 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.479 -7.269 -21.596 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.915 -7.439 -20.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.422 -7.723 -22.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.708 -9.173 -22.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.318 -9.007 -23.061 1.00 0.00 H new ATOM 499 N GLU A 31 -4.322 -8.793 -17.499 1.00 0.00 N ATOM 500 CA GLU A 31 -5.583 -8.075 -17.645 1.00 0.00 C ATOM 501 C GLU A 31 -6.175 -7.820 -16.256 1.00 0.00 C ATOM 502 O GLU A 31 -6.510 -6.687 -15.911 1.00 0.00 O ATOM 503 CB GLU A 31 -6.549 -8.893 -18.519 1.00 0.00 C ATOM 504 CG GLU A 31 -6.075 -9.086 -19.970 1.00 0.00 C ATOM 505 CD GLU A 31 -5.872 -7.770 -20.747 1.00 0.00 C ATOM 506 OE1 GLU A 31 -6.698 -6.837 -20.625 1.00 0.00 O ATOM 507 OE2 GLU A 31 -4.904 -7.675 -21.536 1.00 0.00 O ATOM 0 H GLU A 31 -4.435 -9.741 -17.140 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.415 -7.116 -18.136 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.694 -9.872 -18.062 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.520 -8.399 -18.528 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.136 -9.640 -19.963 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.803 -9.700 -20.500 1.00 0.00 H new ATOM 514 N ARG A 32 -6.262 -8.865 -15.432 1.00 0.00 N ATOM 515 CA ARG A 32 -6.971 -8.854 -14.156 1.00 0.00 C ATOM 516 C ARG A 32 -6.316 -7.978 -13.100 1.00 0.00 C ATOM 517 O ARG A 32 -7.007 -7.571 -12.167 1.00 0.00 O ATOM 518 CB ARG A 32 -7.140 -10.276 -13.628 1.00 0.00 C ATOM 519 CG ARG A 32 -8.273 -10.983 -14.386 1.00 0.00 C ATOM 520 CD ARG A 32 -8.543 -12.378 -13.829 1.00 0.00 C ATOM 521 NE ARG A 32 -8.998 -12.358 -12.425 1.00 0.00 N ATOM 522 CZ ARG A 32 -9.092 -13.427 -11.623 1.00 0.00 C ATOM 523 NH1 ARG A 32 -8.829 -14.649 -12.077 1.00 0.00 N ATOM 524 NH2 ARG A 32 -9.452 -13.264 -10.353 1.00 0.00 N ATOM 0 H ARG A 32 -5.829 -9.765 -15.641 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.948 -8.414 -14.358 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.209 -10.831 -13.747 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.363 -10.253 -12.561 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.182 -10.384 -14.323 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.013 -11.057 -15.442 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.298 -12.869 -14.443 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.634 -12.975 -13.903 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.263 -11.455 -12.033 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.551 -14.783 -13.049 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.905 -15.452 -11.453 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.654 -12.330 -9.996 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.526 -14.073 -9.736 1.00 0.00 H new ATOM 538 N ILE A 33 -5.026 -7.657 -13.212 1.00 0.00 N ATOM 539 CA ILE A 33 -4.402 -6.730 -12.273 1.00 0.00 C ATOM 540 C ILE A 33 -5.112 -5.376 -12.344 1.00 0.00 C ATOM 541 O ILE A 33 -5.273 -4.737 -11.311 1.00 0.00 O ATOM 542 CB ILE A 33 -2.875 -6.619 -12.486 1.00 0.00 C ATOM 543 CG1 ILE A 33 -2.172 -5.977 -11.265 1.00 0.00 C ATOM 544 CG2 ILE A 33 -2.521 -5.865 -13.777 1.00 0.00 C ATOM 545 CD1 ILE A 33 -2.033 -6.961 -10.098 1.00 0.00 C ATOM 0 H ILE A 33 -4.403 -8.020 -13.933 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.520 -7.122 -11.263 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.504 -7.638 -12.591 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.184 -5.623 -11.560 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.738 -5.105 -10.938 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.437 -5.813 -13.882 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.944 -6.391 -14.633 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.930 -4.856 -13.733 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.534 -6.468 -9.264 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.022 -7.295 -9.784 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.444 -7.821 -10.416 1.00 0.00 H new ATOM 557 N ALA A 34 -5.611 -4.967 -13.518 1.00 0.00 N ATOM 558 CA ALA A 34 -6.324 -3.702 -13.645 1.00 0.00 C ATOM 559 C ALA A 34 -7.581 -3.656 -12.768 1.00 0.00 C ATOM 560 O ALA A 34 -7.944 -2.591 -12.272 1.00 0.00 O ATOM 561 CB ALA A 34 -6.677 -3.442 -15.113 1.00 0.00 C ATOM 0 H ALA A 34 -5.531 -5.496 -14.387 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.661 -2.912 -13.291 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.209 -2.495 -15.197 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.763 -3.398 -15.705 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.310 -4.248 -15.483 1.00 0.00 H new ATOM 567 N THR A 35 -8.236 -4.798 -12.561 1.00 0.00 N ATOM 568 CA THR A 35 -9.405 -4.928 -11.698 1.00 0.00 C ATOM 569 C THR A 35 -9.012 -5.187 -10.235 1.00 0.00 C ATOM 570 O THR A 35 -9.686 -4.701 -9.325 1.00 0.00 O ATOM 571 CB THR A 35 -10.327 -6.037 -12.255 1.00 0.00 C ATOM 572 OG1 THR A 35 -9.619 -7.047 -12.955 1.00 0.00 O ATOM 573 CG2 THR A 35 -11.335 -5.451 -13.248 1.00 0.00 C ATOM 0 H THR A 35 -7.961 -5.677 -12.999 1.00 0.00 H new ATOM 0 HA THR A 35 -9.951 -3.984 -11.698 1.00 0.00 H new ATOM 0 HB THR A 35 -10.815 -6.470 -11.382 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.781 -7.243 -12.487 1.00 0.00 H new ATOM 0 HG21 THR A 35 -11.975 -6.247 -13.629 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.947 -4.702 -12.746 1.00 0.00 H new ATOM 0 HG23 THR A 35 -10.801 -4.986 -14.077 1.00 0.00 H new ATOM 581 N ALA A 36 -7.928 -5.932 -9.995 1.00 0.00 N ATOM 582 CA ALA A 36 -7.512 -6.343 -8.654 1.00 0.00 C ATOM 583 C ALA A 36 -6.746 -5.232 -7.924 1.00 0.00 C ATOM 584 O ALA A 36 -6.840 -5.114 -6.702 1.00 0.00 O ATOM 585 CB ALA A 36 -6.645 -7.606 -8.752 1.00 0.00 C ATOM 0 H ALA A 36 -7.311 -6.269 -10.734 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.410 -6.553 -8.073 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.335 -7.913 -7.753 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.221 -8.407 -9.215 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.763 -7.396 -9.357 1.00 0.00 H new ATOM 591 N VAL A 37 -5.996 -4.423 -8.672 1.00 0.00 N ATOM 592 CA VAL A 37 -5.102 -3.373 -8.201 1.00 0.00 C ATOM 593 C VAL A 37 -5.230 -2.196 -9.189 1.00 0.00 C ATOM 594 O VAL A 37 -4.327 -1.953 -9.993 1.00 0.00 O ATOM 595 CB VAL A 37 -3.649 -3.897 -8.072 1.00 0.00 C ATOM 596 CG1 VAL A 37 -2.782 -2.870 -7.331 1.00 0.00 C ATOM 597 CG2 VAL A 37 -3.535 -5.253 -7.356 1.00 0.00 C ATOM 0 H VAL A 37 -5.999 -4.491 -9.690 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.376 -3.038 -7.201 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.297 -4.045 -9.093 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.763 -3.248 -7.246 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.776 -1.932 -7.885 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.191 -2.700 -6.335 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.488 -5.551 -7.306 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.936 -5.166 -6.346 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.100 -6.004 -7.908 1.00 0.00 H new ATOM 607 N PRO A 38 -6.368 -1.478 -9.199 1.00 0.00 N ATOM 608 CA PRO A 38 -6.560 -0.348 -10.098 1.00 0.00 C ATOM 609 C PRO A 38 -5.623 0.818 -9.754 1.00 0.00 C ATOM 610 O PRO A 38 -5.233 1.572 -10.648 1.00 0.00 O ATOM 611 CB PRO A 38 -8.037 0.041 -9.960 1.00 0.00 C ATOM 612 CG PRO A 38 -8.424 -0.464 -8.570 1.00 0.00 C ATOM 613 CD PRO A 38 -7.555 -1.708 -8.392 1.00 0.00 C ATOM 0 HA PRO A 38 -6.316 -0.611 -11.127 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.176 1.119 -10.046 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.646 -0.422 -10.737 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.222 0.281 -7.801 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.486 -0.703 -8.510 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.293 -1.856 -7.344 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.083 -2.604 -8.718 1.00 0.00 H new ATOM 621 N ASP A 39 -5.249 0.977 -8.478 1.00 0.00 N ATOM 622 CA ASP A 39 -4.269 1.971 -8.051 1.00 0.00 C ATOM 623 C ASP A 39 -2.862 1.431 -8.309 1.00 0.00 C ATOM 624 O ASP A 39 -2.320 0.655 -7.518 1.00 0.00 O ATOM 625 CB ASP A 39 -4.450 2.354 -6.577 1.00 0.00 C ATOM 626 CG ASP A 39 -3.394 3.380 -6.115 1.00 0.00 C ATOM 627 OD1 ASP A 39 -2.652 3.936 -6.957 1.00 0.00 O ATOM 628 OD2 ASP A 39 -3.337 3.664 -4.897 1.00 0.00 O ATOM 0 H ASP A 39 -5.622 0.415 -7.713 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.421 2.881 -8.631 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.447 2.768 -6.429 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.382 1.459 -5.958 1.00 0.00 H new ATOM 633 N LYS A 40 -2.268 1.845 -9.430 1.00 0.00 N ATOM 634 CA LYS A 40 -0.943 1.411 -9.870 1.00 0.00 C ATOM 635 C LYS A 40 0.188 1.742 -8.884 1.00 0.00 C ATOM 636 O LYS A 40 1.298 1.240 -9.076 1.00 0.00 O ATOM 637 CB LYS A 40 -0.661 1.990 -11.269 1.00 0.00 C ATOM 638 CG LYS A 40 -1.550 1.329 -12.336 1.00 0.00 C ATOM 639 CD LYS A 40 -1.104 1.685 -13.759 1.00 0.00 C ATOM 640 CE LYS A 40 -2.039 1.010 -14.773 1.00 0.00 C ATOM 641 NZ LYS A 40 -1.629 1.271 -16.174 1.00 0.00 N ATOM 0 H LYS A 40 -2.706 2.507 -10.071 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.959 0.322 -9.912 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.836 3.066 -11.262 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.388 1.840 -11.523 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.525 0.247 -12.209 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.584 1.643 -12.191 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.120 2.766 -13.897 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.077 1.358 -13.922 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.051 -0.065 -14.594 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.057 1.369 -14.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.352 0.898 -16.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.528 2.296 -16.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.720 0.803 -16.363 1.00 0.00 H new ATOM 655 N ASN A 41 -0.058 2.568 -7.858 1.00 0.00 N ATOM 656 CA ASN A 41 0.935 2.893 -6.838 1.00 0.00 C ATOM 657 C ASN A 41 1.188 1.737 -5.864 1.00 0.00 C ATOM 658 O ASN A 41 2.245 1.702 -5.236 1.00 0.00 O ATOM 659 CB ASN A 41 0.487 4.131 -6.049 1.00 0.00 C ATOM 660 CG ASN A 41 1.564 4.601 -5.075 1.00 0.00 C ATOM 661 OD1 ASN A 41 2.626 5.061 -5.485 1.00 0.00 O ATOM 662 ND2 ASN A 41 1.312 4.529 -3.777 1.00 0.00 N ATOM 0 H ASN A 41 -0.957 3.029 -7.716 1.00 0.00 H new ATOM 0 HA ASN A 41 1.871 3.090 -7.361 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.247 4.937 -6.742 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -0.426 3.901 -5.499 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.004 4.858 -3.104 1.00 0.00 H new ATOM 0 HD22 ASN A 41 0.426 4.145 -3.450 1.00 0.00 H new ATOM 669 N ASP A 42 0.237 0.812 -5.688 1.00 0.00 N ATOM 670 CA ASP A 42 0.406 -0.308 -4.754 1.00 0.00 C ATOM 671 C ASP A 42 1.505 -1.240 -5.267 1.00 0.00 C ATOM 672 O ASP A 42 1.501 -1.599 -6.446 1.00 0.00 O ATOM 673 CB ASP A 42 -0.908 -1.085 -4.559 1.00 0.00 C ATOM 674 CG ASP A 42 -1.647 -0.630 -3.292 1.00 0.00 C ATOM 675 OD1 ASP A 42 -1.131 -0.889 -2.183 1.00 0.00 O ATOM 676 OD2 ASP A 42 -2.717 0.011 -3.398 1.00 0.00 O ATOM 0 H ASP A 42 -0.657 0.817 -6.179 1.00 0.00 H new ATOM 0 HA ASP A 42 0.694 0.096 -3.783 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.550 -0.940 -5.428 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.695 -2.152 -4.494 1.00 0.00 H new ATOM 681 N THR A 43 2.430 -1.647 -4.391 1.00 0.00 N ATOM 682 CA THR A 43 3.513 -2.569 -4.716 1.00 0.00 C ATOM 683 C THR A 43 2.925 -3.943 -5.033 1.00 0.00 C ATOM 684 O THR A 43 2.569 -4.680 -4.113 1.00 0.00 O ATOM 685 CB THR A 43 4.532 -2.641 -3.556 1.00 0.00 C ATOM 686 OG1 THR A 43 4.934 -1.351 -3.145 1.00 0.00 O ATOM 687 CG2 THR A 43 5.770 -3.465 -3.915 1.00 0.00 C ATOM 0 H THR A 43 2.443 -1.337 -3.419 1.00 0.00 H new ATOM 0 HA THR A 43 4.049 -2.209 -5.594 1.00 0.00 H new ATOM 0 HB THR A 43 4.018 -3.140 -2.735 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.277 -0.989 -2.514 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.453 -3.484 -3.066 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.470 -4.483 -4.162 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.270 -3.016 -4.773 1.00 0.00 H new ATOM 695 N VAL A 44 2.822 -4.308 -6.311 1.00 0.00 N ATOM 696 CA VAL A 44 2.447 -5.665 -6.681 1.00 0.00 C ATOM 697 C VAL A 44 3.694 -6.530 -6.531 1.00 0.00 C ATOM 698 O VAL A 44 4.618 -6.449 -7.344 1.00 0.00 O ATOM 699 CB VAL A 44 1.853 -5.738 -8.102 1.00 0.00 C ATOM 700 CG1 VAL A 44 1.295 -7.152 -8.323 1.00 0.00 C ATOM 701 CG2 VAL A 44 0.715 -4.726 -8.302 1.00 0.00 C ATOM 0 H VAL A 44 2.993 -3.685 -7.100 1.00 0.00 H new ATOM 0 HA VAL A 44 1.655 -6.030 -6.028 1.00 0.00 H new ATOM 0 HB VAL A 44 2.644 -5.502 -8.814 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.870 -7.223 -9.324 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.099 -7.881 -8.217 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.520 -7.357 -7.584 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.326 -4.812 -9.317 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.083 -4.930 -7.589 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.094 -3.716 -8.143 1.00 0.00 H new ATOM 711 N LYS A 45 3.751 -7.338 -5.474 1.00 0.00 N ATOM 712 CA LYS A 45 4.779 -8.358 -5.345 1.00 0.00 C ATOM 713 C LYS A 45 4.319 -9.571 -6.137 1.00 0.00 C ATOM 714 O LYS A 45 3.140 -9.931 -6.070 1.00 0.00 O ATOM 715 CB LYS A 45 5.058 -8.679 -3.868 1.00 0.00 C ATOM 716 CG LYS A 45 5.453 -7.378 -3.155 1.00 0.00 C ATOM 717 CD LYS A 45 6.188 -7.580 -1.824 1.00 0.00 C ATOM 718 CE LYS A 45 7.005 -6.318 -1.500 1.00 0.00 C ATOM 719 NZ LYS A 45 7.560 -6.331 -0.126 1.00 0.00 N ATOM 0 H LYS A 45 3.094 -7.302 -4.695 1.00 0.00 H new ATOM 0 HA LYS A 45 5.729 -8.008 -5.748 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.174 -9.114 -3.401 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.858 -9.415 -3.784 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.087 -6.792 -3.820 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.553 -6.791 -2.973 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.472 -7.779 -1.026 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.845 -8.447 -1.886 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.822 -6.225 -2.216 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.372 -5.439 -1.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.468 -5.824 -0.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.894 -5.864 0.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.708 -7.314 0.179 1.00 0.00 H new ATOM 733 N VAL A 46 5.232 -10.210 -6.861 1.00 0.00 N ATOM 734 CA VAL A 46 4.929 -11.372 -7.684 1.00 0.00 C ATOM 735 C VAL A 46 5.854 -12.514 -7.284 1.00 0.00 C ATOM 736 O VAL A 46 7.033 -12.299 -6.986 1.00 0.00 O ATOM 737 CB VAL A 46 5.008 -11.028 -9.189 1.00 0.00 C ATOM 738 CG1 VAL A 46 3.909 -10.032 -9.589 1.00 0.00 C ATOM 739 CG2 VAL A 46 6.369 -10.458 -9.630 1.00 0.00 C ATOM 0 H VAL A 46 6.213 -9.932 -6.892 1.00 0.00 H new ATOM 0 HA VAL A 46 3.902 -11.693 -7.511 1.00 0.00 H new ATOM 0 HB VAL A 46 4.868 -11.981 -9.700 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.990 -9.809 -10.653 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.931 -10.467 -9.383 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.025 -9.112 -9.016 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.344 -10.242 -10.698 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.575 -9.540 -9.079 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.153 -11.188 -9.425 1.00 0.00 H new ATOM 749 N TYR A 47 5.319 -13.734 -7.297 1.00 0.00 N ATOM 750 CA TYR A 47 6.060 -14.967 -7.084 1.00 0.00 C ATOM 751 C TYR A 47 5.424 -16.059 -7.951 1.00 0.00 C ATOM 752 O TYR A 47 4.358 -15.839 -8.533 1.00 0.00 O ATOM 753 CB TYR A 47 6.103 -15.326 -5.589 1.00 0.00 C ATOM 754 CG TYR A 47 4.839 -15.909 -4.983 1.00 0.00 C ATOM 755 CD1 TYR A 47 3.858 -15.053 -4.452 1.00 0.00 C ATOM 756 CD2 TYR A 47 4.674 -17.305 -4.891 1.00 0.00 C ATOM 757 CE1 TYR A 47 2.731 -15.586 -3.803 1.00 0.00 C ATOM 758 CE2 TYR A 47 3.538 -17.845 -4.266 1.00 0.00 C ATOM 759 CZ TYR A 47 2.571 -16.988 -3.702 1.00 0.00 C ATOM 760 OH TYR A 47 1.487 -17.525 -3.074 1.00 0.00 O ATOM 0 H TYR A 47 4.325 -13.892 -7.462 1.00 0.00 H new ATOM 0 HA TYR A 47 7.101 -14.853 -7.386 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.913 -16.040 -5.435 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.362 -14.426 -5.032 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.971 -13.983 -4.543 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.425 -17.963 -5.303 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.988 -14.926 -3.382 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.405 -18.916 -4.218 1.00 0.00 H new ATOM 0 HH TYR A 47 1.544 -18.503 -3.102 1.00 0.00 H new ATOM 770 N CYS A 48 6.098 -17.201 -8.093 1.00 0.00 N ATOM 771 CA CYS A 48 5.606 -18.375 -8.796 1.00 0.00 C ATOM 772 C CYS A 48 6.205 -19.618 -8.126 1.00 0.00 C ATOM 773 O CYS A 48 6.483 -19.578 -6.929 1.00 0.00 O ATOM 774 CB CYS A 48 5.872 -18.247 -10.308 1.00 0.00 C ATOM 775 SG CYS A 48 7.647 -18.194 -10.683 1.00 0.00 S ATOM 0 H CYS A 48 7.033 -17.333 -7.707 1.00 0.00 H new ATOM 0 HA CYS A 48 4.523 -18.471 -8.722 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.416 -19.089 -10.829 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.394 -17.343 -10.685 1.00 0.00 H new ATOM 0 HG CYS A 48 7.957 -19.192 -11.456 1.00 0.00 H new ATOM 781 N ASN A 49 6.408 -20.726 -8.850 1.00 0.00 N ATOM 782 CA ASN A 49 6.976 -21.946 -8.266 1.00 0.00 C ATOM 783 C ASN A 49 8.391 -21.701 -7.725 1.00 0.00 C ATOM 784 O ASN A 49 8.668 -22.026 -6.568 1.00 0.00 O ATOM 785 CB ASN A 49 6.970 -23.079 -9.305 1.00 0.00 C ATOM 786 CG ASN A 49 7.451 -24.393 -8.697 1.00 0.00 C ATOM 787 OD1 ASN A 49 8.647 -24.653 -8.606 1.00 0.00 O ATOM 788 ND2 ASN A 49 6.538 -25.250 -8.274 1.00 0.00 N ATOM 0 H ASN A 49 6.187 -20.802 -9.843 1.00 0.00 H new ATOM 0 HA ASN A 49 6.354 -22.244 -7.422 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.962 -23.207 -9.701 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.610 -22.809 -10.144 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.824 -26.140 -7.866 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.547 -25.021 -8.356 1.00 0.00 H new ATOM 795 N ALA A 50 9.265 -21.080 -8.532 1.00 0.00 N ATOM 796 CA ALA A 50 10.683 -20.904 -8.198 1.00 0.00 C ATOM 797 C ALA A 50 11.308 -19.597 -8.724 1.00 0.00 C ATOM 798 O ALA A 50 12.437 -19.288 -8.343 1.00 0.00 O ATOM 799 CB ALA A 50 11.464 -22.109 -8.741 1.00 0.00 C ATOM 0 H ALA A 50 9.006 -20.686 -9.436 1.00 0.00 H new ATOM 0 HA ALA A 50 10.744 -20.837 -7.112 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.521 -21.995 -8.502 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.085 -23.024 -8.285 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.341 -22.165 -9.823 1.00 0.00 H new ATOM 805 N GLY A 51 10.617 -18.834 -9.582 1.00 0.00 N ATOM 806 CA GLY A 51 11.112 -17.565 -10.136 1.00 0.00 C ATOM 807 C GLY A 51 10.918 -17.441 -11.651 1.00 0.00 C ATOM 808 O GLY A 51 10.869 -16.329 -12.182 1.00 0.00 O ATOM 0 H GLY A 51 9.686 -19.084 -9.916 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.600 -16.739 -9.643 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.172 -17.466 -9.904 1.00 0.00 H new ATOM 812 N ARG A 52 10.788 -18.575 -12.356 1.00 0.00 N ATOM 813 CA ARG A 52 10.829 -18.655 -13.821 1.00 0.00 C ATOM 814 C ARG A 52 9.838 -17.737 -14.539 1.00 0.00 C ATOM 815 O ARG A 52 10.166 -17.276 -15.634 1.00 0.00 O ATOM 816 CB ARG A 52 10.657 -20.129 -14.250 1.00 0.00 C ATOM 817 CG ARG A 52 10.658 -20.383 -15.769 1.00 0.00 C ATOM 818 CD ARG A 52 11.932 -19.891 -16.473 1.00 0.00 C ATOM 819 NE ARG A 52 11.832 -20.032 -17.935 1.00 0.00 N ATOM 820 CZ ARG A 52 11.262 -19.160 -18.780 1.00 0.00 C ATOM 821 NH1 ARG A 52 10.675 -18.050 -18.335 1.00 0.00 N ATOM 822 NH2 ARG A 52 11.281 -19.410 -20.086 1.00 0.00 N ATOM 0 H ARG A 52 10.648 -19.482 -11.911 1.00 0.00 H new ATOM 0 HA ARG A 52 11.805 -18.283 -14.132 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.458 -20.716 -13.801 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.719 -20.502 -13.838 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.542 -21.451 -15.951 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.794 -19.889 -16.212 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.108 -18.846 -16.219 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.790 -20.456 -16.110 1.00 0.00 H new ATOM 0 HE ARG A 52 12.235 -20.874 -18.345 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.653 -17.850 -17.335 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.247 -17.400 -18.994 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.726 -20.258 -20.436 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.850 -18.754 -20.737 1.00 0.00 H new ATOM 836 N GLN A 53 8.656 -17.476 -13.974 1.00 0.00 N ATOM 837 CA GLN A 53 7.633 -16.654 -14.628 1.00 0.00 C ATOM 838 C GLN A 53 7.260 -15.418 -13.811 1.00 0.00 C ATOM 839 O GLN A 53 6.783 -14.443 -14.389 1.00 0.00 O ATOM 840 CB GLN A 53 6.431 -17.517 -15.061 1.00 0.00 C ATOM 841 CG GLN A 53 5.669 -18.252 -13.944 1.00 0.00 C ATOM 842 CD GLN A 53 4.662 -19.252 -14.527 1.00 0.00 C ATOM 843 OE1 GLN A 53 5.043 -20.240 -15.149 1.00 0.00 O ATOM 844 NE2 GLN A 53 3.364 -19.046 -14.354 1.00 0.00 N ATOM 0 H GLN A 53 8.382 -17.826 -13.056 1.00 0.00 H new ATOM 0 HA GLN A 53 8.060 -16.246 -15.544 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.725 -16.876 -15.590 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.785 -18.259 -15.776 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.376 -18.776 -13.301 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.147 -17.528 -13.319 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.042 -18.227 -13.838 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.687 -19.706 -14.737 1.00 0.00 H new ATOM 853 N SER A 54 7.548 -15.376 -12.507 1.00 0.00 N ATOM 854 CA SER A 54 7.418 -14.147 -11.733 1.00 0.00 C ATOM 855 C SER A 54 8.471 -13.125 -12.166 1.00 0.00 C ATOM 856 O SER A 54 8.206 -11.923 -12.121 1.00 0.00 O ATOM 857 CB SER A 54 7.522 -14.472 -10.245 1.00 0.00 C ATOM 858 OG SER A 54 8.695 -15.227 -10.005 1.00 0.00 O ATOM 0 H SER A 54 7.872 -16.180 -11.969 1.00 0.00 H new ATOM 0 HA SER A 54 6.442 -13.699 -11.919 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.544 -13.551 -9.662 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.644 -15.032 -9.923 1.00 0.00 H new ATOM 0 HG SER A 54 8.502 -16.180 -10.130 1.00 0.00 H new ATOM 864 N GLY A 55 9.659 -13.577 -12.588 1.00 0.00 N ATOM 865 CA GLY A 55 10.698 -12.705 -13.123 1.00 0.00 C ATOM 866 C GLY A 55 10.164 -11.915 -14.310 1.00 0.00 C ATOM 867 O GLY A 55 10.256 -10.688 -14.343 1.00 0.00 O ATOM 0 H GLY A 55 9.922 -14.562 -12.565 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.043 -12.021 -12.348 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.559 -13.299 -13.430 1.00 0.00 H new ATOM 871 N GLN A 56 9.523 -12.617 -15.249 1.00 0.00 N ATOM 872 CA GLN A 56 8.888 -11.981 -16.390 1.00 0.00 C ATOM 873 C GLN A 56 7.686 -11.146 -15.956 1.00 0.00 C ATOM 874 O GLN A 56 7.509 -10.045 -16.473 1.00 0.00 O ATOM 875 CB GLN A 56 8.514 -13.041 -17.441 1.00 0.00 C ATOM 876 CG GLN A 56 9.735 -13.758 -18.057 1.00 0.00 C ATOM 877 CD GLN A 56 10.883 -12.799 -18.398 1.00 0.00 C ATOM 878 OE1 GLN A 56 11.985 -12.916 -17.868 1.00 0.00 O ATOM 879 NE2 GLN A 56 10.639 -11.798 -19.229 1.00 0.00 N ATOM 0 H GLN A 56 9.434 -13.633 -15.234 1.00 0.00 H new ATOM 0 HA GLN A 56 9.594 -11.291 -16.851 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.862 -13.783 -16.980 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.943 -12.565 -18.238 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.095 -14.514 -17.360 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.424 -14.281 -18.962 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.721 -11.709 -19.664 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.369 -11.116 -19.434 1.00 0.00 H new ATOM 888 N ALA A 57 6.899 -11.600 -14.974 1.00 0.00 N ATOM 889 CA ALA A 57 5.786 -10.818 -14.449 1.00 0.00 C ATOM 890 C ALA A 57 6.243 -9.461 -13.909 1.00 0.00 C ATOM 891 O ALA A 57 5.534 -8.475 -14.109 1.00 0.00 O ATOM 892 CB ALA A 57 5.030 -11.597 -13.375 1.00 0.00 C ATOM 0 H ALA A 57 7.017 -12.510 -14.528 1.00 0.00 H new ATOM 0 HA ALA A 57 5.108 -10.627 -15.281 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.205 -10.992 -13.000 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.638 -12.520 -13.803 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.707 -11.836 -12.555 1.00 0.00 H new ATOM 898 N LYS A 58 7.421 -9.375 -13.272 1.00 0.00 N ATOM 899 CA LYS A 58 7.927 -8.087 -12.804 1.00 0.00 C ATOM 900 C LYS A 58 8.106 -7.132 -13.987 1.00 0.00 C ATOM 901 O LYS A 58 7.715 -5.967 -13.894 1.00 0.00 O ATOM 902 CB LYS A 58 9.208 -8.224 -11.963 1.00 0.00 C ATOM 903 CG LYS A 58 9.798 -6.841 -11.607 1.00 0.00 C ATOM 904 CD LYS A 58 10.699 -6.878 -10.368 1.00 0.00 C ATOM 905 CE LYS A 58 11.360 -5.512 -10.124 1.00 0.00 C ATOM 906 NZ LYS A 58 12.429 -5.570 -9.091 1.00 0.00 N ATOM 0 H LYS A 58 8.028 -10.170 -13.074 1.00 0.00 H new ATOM 0 HA LYS A 58 7.184 -7.660 -12.131 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.988 -8.774 -11.048 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.947 -8.806 -12.514 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.371 -6.467 -12.455 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.983 -6.137 -11.437 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.111 -7.162 -9.495 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.468 -7.640 -10.496 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.783 -5.145 -11.059 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.600 -4.795 -9.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.818 -4.617 -8.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.031 -5.926 -8.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.186 -6.207 -9.411 1.00 0.00 H new ATOM 920 N GLU A 59 8.670 -7.610 -15.099 1.00 0.00 N ATOM 921 CA GLU A 59 8.916 -6.771 -16.268 1.00 0.00 C ATOM 922 C GLU A 59 7.575 -6.366 -16.877 1.00 0.00 C ATOM 923 O GLU A 59 7.348 -5.191 -17.150 1.00 0.00 O ATOM 924 CB GLU A 59 9.779 -7.497 -17.317 1.00 0.00 C ATOM 925 CG GLU A 59 11.176 -7.876 -16.805 1.00 0.00 C ATOM 926 CD GLU A 59 12.113 -8.303 -17.953 1.00 0.00 C ATOM 927 OE1 GLU A 59 11.878 -9.354 -18.593 1.00 0.00 O ATOM 928 OE2 GLU A 59 13.109 -7.591 -18.218 1.00 0.00 O ATOM 0 H GLU A 59 8.965 -8.580 -15.212 1.00 0.00 H new ATOM 0 HA GLU A 59 9.467 -5.885 -15.952 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.261 -8.401 -17.639 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.883 -6.859 -18.195 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.612 -7.028 -16.277 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.090 -8.690 -16.085 1.00 0.00 H new ATOM 935 N ILE A 60 6.668 -7.333 -17.028 1.00 0.00 N ATOM 936 CA ILE A 60 5.348 -7.153 -17.614 1.00 0.00 C ATOM 937 C ILE A 60 4.579 -6.066 -16.857 1.00 0.00 C ATOM 938 O ILE A 60 4.071 -5.134 -17.480 1.00 0.00 O ATOM 939 CB ILE A 60 4.645 -8.533 -17.640 1.00 0.00 C ATOM 940 CG1 ILE A 60 5.241 -9.398 -18.778 1.00 0.00 C ATOM 941 CG2 ILE A 60 3.121 -8.425 -17.782 1.00 0.00 C ATOM 942 CD1 ILE A 60 4.880 -10.887 -18.691 1.00 0.00 C ATOM 0 H ILE A 60 6.843 -8.294 -16.734 1.00 0.00 H new ATOM 0 HA ILE A 60 5.405 -6.797 -18.643 1.00 0.00 H new ATOM 0 HB ILE A 60 4.828 -9.011 -16.678 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.896 -9.007 -19.735 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.326 -9.297 -18.765 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.685 -9.424 -17.794 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.716 -7.863 -16.941 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.878 -7.912 -18.712 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.336 -11.421 -19.524 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.250 -11.297 -17.751 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.797 -11.002 -18.736 1.00 0.00 H new ATOM 954 N LEU A 61 4.508 -6.143 -15.526 1.00 0.00 N ATOM 955 CA LEU A 61 3.746 -5.171 -14.750 1.00 0.00 C ATOM 956 C LEU A 61 4.436 -3.805 -14.746 1.00 0.00 C ATOM 957 O LEU A 61 3.751 -2.779 -14.731 1.00 0.00 O ATOM 958 CB LEU A 61 3.512 -5.679 -13.322 1.00 0.00 C ATOM 959 CG LEU A 61 2.606 -6.924 -13.224 1.00 0.00 C ATOM 960 CD1 LEU A 61 2.352 -7.230 -11.745 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.262 -6.761 -13.948 1.00 0.00 C ATOM 0 H LEU A 61 4.967 -6.864 -14.969 1.00 0.00 H new ATOM 0 HA LEU A 61 2.773 -5.047 -15.226 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.476 -5.911 -12.870 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.069 -4.876 -12.733 1.00 0.00 H new ATOM 0 HG LEU A 61 3.128 -7.743 -13.719 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.712 -8.108 -11.660 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.301 -7.422 -11.245 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.861 -6.377 -11.276 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.676 -7.674 -13.838 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.714 -5.924 -13.515 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.440 -6.569 -15.006 1.00 0.00 H new ATOM 973 N SER A 62 5.769 -3.769 -14.811 1.00 0.00 N ATOM 974 CA SER A 62 6.499 -2.517 -14.961 1.00 0.00 C ATOM 975 C SER A 62 6.170 -1.866 -16.313 1.00 0.00 C ATOM 976 O SER A 62 5.945 -0.657 -16.366 1.00 0.00 O ATOM 977 CB SER A 62 8.005 -2.756 -14.798 1.00 0.00 C ATOM 978 OG SER A 62 8.290 -3.376 -13.554 1.00 0.00 O ATOM 0 H SER A 62 6.362 -4.597 -14.762 1.00 0.00 H new ATOM 0 HA SER A 62 6.187 -1.826 -14.177 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.367 -3.383 -15.612 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.537 -1.807 -14.866 1.00 0.00 H new ATOM 0 HG SER A 62 8.157 -4.344 -13.633 1.00 0.00 H new ATOM 984 N GLU A 63 6.063 -2.645 -17.396 1.00 0.00 N ATOM 985 CA GLU A 63 5.670 -2.149 -18.713 1.00 0.00 C ATOM 986 C GLU A 63 4.204 -1.694 -18.725 1.00 0.00 C ATOM 987 O GLU A 63 3.875 -0.721 -19.407 1.00 0.00 O ATOM 988 CB GLU A 63 5.923 -3.210 -19.797 1.00 0.00 C ATOM 989 CG GLU A 63 7.416 -3.359 -20.124 1.00 0.00 C ATOM 990 CD GLU A 63 7.642 -4.349 -21.281 1.00 0.00 C ATOM 991 OE1 GLU A 63 7.795 -5.567 -21.036 1.00 0.00 O ATOM 992 OE2 GLU A 63 7.689 -3.914 -22.455 1.00 0.00 O ATOM 0 H GLU A 63 6.250 -3.648 -17.379 1.00 0.00 H new ATOM 0 HA GLU A 63 6.288 -1.280 -18.937 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.528 -4.170 -19.463 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.380 -2.939 -20.702 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.831 -2.386 -20.389 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.951 -3.703 -19.239 1.00 0.00 H new ATOM 999 N MET A 64 3.330 -2.333 -17.935 1.00 0.00 N ATOM 1000 CA MET A 64 1.961 -1.863 -17.697 1.00 0.00 C ATOM 1001 C MET A 64 1.924 -0.563 -16.877 1.00 0.00 C ATOM 1002 O MET A 64 0.851 0.020 -16.709 1.00 0.00 O ATOM 1003 CB MET A 64 1.120 -2.946 -17.003 1.00 0.00 C ATOM 1004 CG MET A 64 0.817 -4.141 -17.912 1.00 0.00 C ATOM 1005 SD MET A 64 -0.201 -5.422 -17.129 1.00 0.00 S ATOM 1006 CE MET A 64 -1.799 -4.566 -17.042 1.00 0.00 C ATOM 0 H MET A 64 3.556 -3.196 -17.441 1.00 0.00 H new ATOM 0 HA MET A 64 1.531 -1.649 -18.675 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.648 -3.296 -16.116 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.182 -2.508 -16.663 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.308 -3.784 -18.807 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.758 -4.586 -18.236 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.575 -5.273 -16.750 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.743 -3.765 -16.305 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.040 -4.145 -18.018 1.00 0.00 H new ATOM 1016 N GLY A 65 3.062 -0.087 -16.367 1.00 0.00 N ATOM 1017 CA GLY A 65 3.170 1.204 -15.708 1.00 0.00 C ATOM 1018 C GLY A 65 2.843 1.141 -14.220 1.00 0.00 C ATOM 1019 O GLY A 65 2.562 2.186 -13.632 1.00 0.00 O ATOM 0 H GLY A 65 3.943 -0.599 -16.404 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.182 1.588 -15.836 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.497 1.911 -16.193 1.00 0.00 H new ATOM 1023 N TYR A 66 2.846 -0.045 -13.597 1.00 0.00 N ATOM 1024 CA TYR A 66 2.768 -0.137 -12.143 1.00 0.00 C ATOM 1025 C TYR A 66 4.049 0.474 -11.586 1.00 0.00 C ATOM 1026 O TYR A 66 5.150 0.017 -11.901 1.00 0.00 O ATOM 1027 CB TYR A 66 2.536 -1.581 -11.678 1.00 0.00 C ATOM 1028 CG TYR A 66 1.087 -2.009 -11.821 1.00 0.00 C ATOM 1029 CD1 TYR A 66 0.558 -2.325 -13.087 1.00 0.00 C ATOM 1030 CD2 TYR A 66 0.245 -2.011 -10.692 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -0.816 -2.581 -13.238 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -1.127 -2.281 -10.835 1.00 0.00 C ATOM 1033 CZ TYR A 66 -1.671 -2.526 -12.114 1.00 0.00 C ATOM 1034 OH TYR A 66 -3.015 -2.664 -12.275 1.00 0.00 O ATOM 0 H TYR A 66 2.901 -0.943 -14.077 1.00 0.00 H new ATOM 0 HA TYR A 66 1.909 0.415 -11.763 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.169 -2.253 -12.258 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.839 -1.677 -10.635 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.211 -2.371 -13.946 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.654 -1.805 -9.714 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.218 -2.819 -14.212 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.766 -2.301 -9.965 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.476 -2.336 -11.475 1.00 0.00 H new ATOM 1044 N THR A 67 3.911 1.548 -10.811 1.00 0.00 N ATOM 1045 CA THR A 67 5.033 2.369 -10.376 1.00 0.00 C ATOM 1046 C THR A 67 5.788 1.707 -9.215 1.00 0.00 C ATOM 1047 O THR A 67 6.926 2.085 -8.926 1.00 0.00 O ATOM 1048 CB THR A 67 4.516 3.776 -10.033 1.00 0.00 C ATOM 1049 OG1 THR A 67 3.436 3.697 -9.125 1.00 0.00 O ATOM 1050 CG2 THR A 67 3.998 4.486 -11.290 1.00 0.00 C ATOM 0 H THR A 67 3.008 1.873 -10.466 1.00 0.00 H new ATOM 0 HA THR A 67 5.761 2.464 -11.182 1.00 0.00 H new ATOM 0 HB THR A 67 5.349 4.328 -9.598 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.119 4.600 -8.915 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.637 5.480 -11.024 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.806 4.576 -12.016 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.182 3.908 -11.724 1.00 0.00 H new ATOM 1058 N HIS A 68 5.192 0.683 -8.595 1.00 0.00 N ATOM 1059 CA HIS A 68 5.821 -0.175 -7.611 1.00 0.00 C ATOM 1060 C HIS A 68 5.466 -1.616 -7.976 1.00 0.00 C ATOM 1061 O HIS A 68 4.293 -1.987 -8.042 1.00 0.00 O ATOM 1062 CB HIS A 68 5.333 0.174 -6.198 1.00 0.00 C ATOM 1063 CG HIS A 68 5.778 1.520 -5.680 1.00 0.00 C ATOM 1064 ND1 HIS A 68 6.754 1.741 -4.733 1.00 0.00 N ATOM 1065 CD2 HIS A 68 5.250 2.742 -6.006 1.00 0.00 C ATOM 1066 CE1 HIS A 68 6.817 3.062 -4.499 1.00 0.00 C ATOM 1067 NE2 HIS A 68 5.923 3.722 -5.261 1.00 0.00 N ATOM 0 H HIS A 68 4.222 0.428 -8.779 1.00 0.00 H new ATOM 0 HA HIS A 68 6.903 -0.039 -7.614 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.244 0.141 -6.188 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.682 -0.596 -5.510 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.454 2.920 -6.714 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.491 3.530 -3.797 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.767 4.730 -5.290 1.00 0.00 H new ATOM 1075 N VAL A 69 6.489 -2.432 -8.199 1.00 0.00 N ATOM 1076 CA VAL A 69 6.406 -3.864 -8.444 1.00 0.00 C ATOM 1077 C VAL A 69 7.627 -4.441 -7.731 1.00 0.00 C ATOM 1078 O VAL A 69 8.665 -3.773 -7.666 1.00 0.00 O ATOM 1079 CB VAL A 69 6.443 -4.162 -9.964 1.00 0.00 C ATOM 1080 CG1 VAL A 69 6.392 -5.668 -10.269 1.00 0.00 C ATOM 1081 CG2 VAL A 69 5.287 -3.499 -10.727 1.00 0.00 C ATOM 0 H VAL A 69 7.451 -2.092 -8.214 1.00 0.00 H new ATOM 0 HA VAL A 69 5.477 -4.301 -8.079 1.00 0.00 H new ATOM 0 HB VAL A 69 7.393 -3.745 -10.299 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.421 -5.822 -11.348 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.248 -6.162 -9.809 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.471 -6.090 -9.867 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.364 -3.742 -11.787 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.337 -3.866 -10.339 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.339 -2.418 -10.598 1.00 0.00 H new ATOM 1091 N GLU A 70 7.546 -5.670 -7.224 1.00 0.00 N ATOM 1092 CA GLU A 70 8.727 -6.360 -6.734 1.00 0.00 C ATOM 1093 C GLU A 70 8.629 -7.842 -7.063 1.00 0.00 C ATOM 1094 O GLU A 70 7.536 -8.399 -7.146 1.00 0.00 O ATOM 1095 CB GLU A 70 8.914 -6.106 -5.228 1.00 0.00 C ATOM 1096 CG GLU A 70 10.267 -6.567 -4.669 1.00 0.00 C ATOM 1097 CD GLU A 70 11.476 -5.996 -5.433 1.00 0.00 C ATOM 1098 OE1 GLU A 70 11.760 -6.484 -6.554 1.00 0.00 O ATOM 1099 OE2 GLU A 70 12.143 -5.068 -4.922 1.00 0.00 O ATOM 0 H GLU A 70 6.679 -6.201 -7.144 1.00 0.00 H new ATOM 0 HA GLU A 70 9.613 -5.968 -7.233 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.800 -5.039 -5.035 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.118 -6.615 -4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.337 -6.273 -3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.311 -7.656 -4.698 1.00 0.00 H new ATOM 1106 N ASN A 71 9.779 -8.481 -7.249 1.00 0.00 N ATOM 1107 CA ASN A 71 9.863 -9.903 -7.517 1.00 0.00 C ATOM 1108 C ASN A 71 10.326 -10.588 -6.241 1.00 0.00 C ATOM 1109 O ASN A 71 11.344 -10.193 -5.668 1.00 0.00 O ATOM 1110 CB ASN A 71 10.852 -10.174 -8.653 1.00 0.00 C ATOM 1111 CG ASN A 71 10.867 -11.664 -8.931 1.00 0.00 C ATOM 1112 OD1 ASN A 71 11.661 -12.410 -8.374 1.00 0.00 O ATOM 1113 ND2 ASN A 71 9.932 -12.135 -9.732 1.00 0.00 N ATOM 0 H ASN A 71 10.686 -8.016 -7.217 1.00 0.00 H new ATOM 0 HA ASN A 71 8.891 -10.288 -7.824 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.561 -9.624 -9.548 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.849 -9.830 -8.378 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.860 -13.139 -9.897 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.280 -11.495 -10.186 1.00 0.00 H new ATOM 1120 N ALA A 72 9.595 -11.616 -5.813 1.00 0.00 N ATOM 1121 CA ALA A 72 9.881 -12.354 -4.591 1.00 0.00 C ATOM 1122 C ALA A 72 10.398 -13.771 -4.895 1.00 0.00 C ATOM 1123 O ALA A 72 10.442 -14.616 -4.000 1.00 0.00 O ATOM 1124 CB ALA A 72 8.628 -12.361 -3.713 1.00 0.00 C ATOM 0 H ALA A 72 8.777 -11.962 -6.315 1.00 0.00 H new ATOM 0 HA ALA A 72 10.684 -11.859 -4.044 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.831 -12.911 -2.794 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.350 -11.336 -3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.810 -12.841 -4.250 1.00 0.00 H new ATOM 1130 N GLY A 73 10.783 -14.050 -6.145 1.00 0.00 N ATOM 1131 CA GLY A 73 11.275 -15.350 -6.566 1.00 0.00 C ATOM 1132 C GLY A 73 10.107 -16.315 -6.674 1.00 0.00 C ATOM 1133 O GLY A 73 9.205 -16.105 -7.492 1.00 0.00 O ATOM 0 H GLY A 73 10.758 -13.363 -6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.783 -15.266 -7.527 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.007 -15.725 -5.850 1.00 0.00 H new ATOM 1137 N GLY A 74 10.097 -17.361 -5.852 1.00 0.00 N ATOM 1138 CA GLY A 74 9.041 -18.351 -5.871 1.00 0.00 C ATOM 1139 C GLY A 74 8.851 -18.997 -4.514 1.00 0.00 C ATOM 1140 O GLY A 74 9.681 -18.861 -3.614 1.00 0.00 O ATOM 0 H GLY A 74 10.822 -17.540 -5.158 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.108 -17.882 -6.184 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.275 -19.118 -6.609 1.00 0.00 H new ATOM 1144 N LEU A 75 7.735 -19.707 -4.379 1.00 0.00 N ATOM 1145 CA LEU A 75 7.215 -20.225 -3.121 1.00 0.00 C ATOM 1146 C LEU A 75 8.202 -21.127 -2.379 1.00 0.00 C ATOM 1147 O LEU A 75 8.178 -21.177 -1.148 1.00 0.00 O ATOM 1148 CB LEU A 75 5.919 -20.985 -3.439 1.00 0.00 C ATOM 1149 CG LEU A 75 5.116 -21.400 -2.198 1.00 0.00 C ATOM 1150 CD1 LEU A 75 4.632 -20.188 -1.395 1.00 0.00 C ATOM 1151 CD2 LEU A 75 3.894 -22.182 -2.662 1.00 0.00 C ATOM 0 H LEU A 75 7.145 -19.946 -5.176 1.00 0.00 H new ATOM 0 HA LEU A 75 7.033 -19.387 -2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.290 -20.360 -4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.165 -21.877 -4.014 1.00 0.00 H new ATOM 0 HG LEU A 75 5.764 -21.997 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.069 -20.529 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.491 -19.604 -1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.992 -19.568 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.307 -22.488 -1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.284 -21.553 -3.310 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.215 -23.066 -3.213 1.00 0.00 H new ATOM 1163 N LYS A 76 9.064 -21.833 -3.118 1.00 0.00 N ATOM 1164 CA LYS A 76 10.104 -22.682 -2.544 1.00 0.00 C ATOM 1165 C LYS A 76 11.150 -21.858 -1.795 1.00 0.00 C ATOM 1166 O LYS A 76 11.647 -22.305 -0.761 1.00 0.00 O ATOM 1167 CB LYS A 76 10.781 -23.488 -3.664 1.00 0.00 C ATOM 1168 CG LYS A 76 9.866 -24.577 -4.243 1.00 0.00 C ATOM 1169 CD LYS A 76 10.481 -25.174 -5.515 1.00 0.00 C ATOM 1170 CE LYS A 76 9.654 -26.373 -5.995 1.00 0.00 C ATOM 1171 NZ LYS A 76 10.039 -26.795 -7.363 1.00 0.00 N ATOM 0 H LYS A 76 9.057 -21.829 -4.138 1.00 0.00 H new ATOM 0 HA LYS A 76 9.636 -23.358 -1.828 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.084 -22.810 -4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.689 -23.950 -3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.712 -25.362 -3.503 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.887 -24.155 -4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.523 -24.416 -6.297 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.507 -25.486 -5.319 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.789 -27.207 -5.306 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.595 -26.114 -5.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.683 -27.755 -7.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.630 -26.138 -8.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.075 -26.789 -7.450 1.00 0.00 H new ATOM 1185 N ASP A 77 11.504 -20.679 -2.313 1.00 0.00 N ATOM 1186 CA ASP A 77 12.506 -19.809 -1.700 1.00 0.00 C ATOM 1187 C ASP A 77 11.888 -18.976 -0.577 1.00 0.00 C ATOM 1188 O ASP A 77 12.548 -18.705 0.427 1.00 0.00 O ATOM 1189 CB ASP A 77 13.111 -18.875 -2.754 1.00 0.00 C ATOM 1190 CG ASP A 77 14.161 -17.943 -2.124 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.270 -18.417 -1.789 1.00 0.00 O ATOM 1192 OD2 ASP A 77 13.900 -16.727 -1.993 1.00 0.00 O ATOM 0 H ASP A 77 11.102 -20.302 -3.171 1.00 0.00 H new ATOM 0 HA ASP A 77 13.290 -20.439 -1.280 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.571 -19.465 -3.547 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.322 -18.281 -3.215 1.00 0.00 H new ATOM 1197 N ILE A 78 10.619 -18.585 -0.732 1.00 0.00 N ATOM 1198 CA ILE A 78 9.892 -17.785 0.248 1.00 0.00 C ATOM 1199 C ILE A 78 9.728 -18.620 1.527 1.00 0.00 C ATOM 1200 O ILE A 78 9.248 -19.755 1.476 1.00 0.00 O ATOM 1201 CB ILE A 78 8.543 -17.307 -0.349 1.00 0.00 C ATOM 1202 CG1 ILE A 78 8.782 -16.341 -1.534 1.00 0.00 C ATOM 1203 CG2 ILE A 78 7.687 -16.606 0.723 1.00 0.00 C ATOM 1204 CD1 ILE A 78 7.533 -16.048 -2.374 1.00 0.00 C ATOM 0 H ILE A 78 10.064 -18.821 -1.555 1.00 0.00 H new ATOM 0 HA ILE A 78 10.444 -16.881 0.506 1.00 0.00 H new ATOM 0 HB ILE A 78 8.008 -18.186 -0.708 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.174 -15.400 -1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.550 -16.763 -2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.746 -16.279 0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.483 -17.301 1.538 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.225 -15.741 1.110 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.790 -15.363 -3.182 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.151 -16.978 -2.795 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.769 -15.594 -1.743 1.00 0.00 H new ATOM 1216 N ALA A 79 10.060 -18.024 2.679 1.00 0.00 N ATOM 1217 CA ALA A 79 9.959 -18.647 4.002 1.00 0.00 C ATOM 1218 C ALA A 79 9.016 -17.863 4.927 1.00 0.00 C ATOM 1219 O ALA A 79 9.115 -17.925 6.155 1.00 0.00 O ATOM 1220 CB ALA A 79 11.365 -18.839 4.586 1.00 0.00 C ATOM 0 H ALA A 79 10.416 -17.069 2.716 1.00 0.00 H new ATOM 0 HA ALA A 79 9.507 -19.634 3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.290 -19.302 5.570 1.00 0.00 H new ATOM 0 HB2 ALA A 79 11.949 -19.481 3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.856 -17.870 4.678 1.00 0.00 H new ATOM 1226 N MET A 80 8.107 -17.107 4.314 1.00 0.00 N ATOM 1227 CA MET A 80 6.966 -16.477 4.978 1.00 0.00 C ATOM 1228 C MET A 80 5.977 -17.577 5.401 1.00 0.00 C ATOM 1229 O MET A 80 6.050 -18.687 4.859 1.00 0.00 O ATOM 1230 CB MET A 80 6.298 -15.493 4.001 1.00 0.00 C ATOM 1231 CG MET A 80 7.164 -14.248 3.781 1.00 0.00 C ATOM 1232 SD MET A 80 6.541 -13.111 2.514 1.00 0.00 S ATOM 1233 CE MET A 80 5.013 -12.510 3.288 1.00 0.00 C ATOM 0 H MET A 80 8.144 -16.910 3.314 1.00 0.00 H new ATOM 0 HA MET A 80 7.288 -15.927 5.862 1.00 0.00 H new ATOM 0 HB2 MET A 80 6.122 -15.989 3.046 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.324 -15.196 4.390 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.249 -13.709 4.725 1.00 0.00 H new ATOM 0 HG3 MET A 80 8.169 -14.565 3.504 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.568 -11.736 2.662 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.311 -13.337 3.397 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.241 -12.096 4.270 1.00 0.00 H new ATOM 1243 N PRO A 81 5.033 -17.297 6.320 1.00 0.00 N ATOM 1244 CA PRO A 81 3.989 -18.251 6.672 1.00 0.00 C ATOM 1245 C PRO A 81 3.192 -18.668 5.433 1.00 0.00 C ATOM 1246 O PRO A 81 2.983 -17.880 4.503 1.00 0.00 O ATOM 1247 CB PRO A 81 3.123 -17.571 7.740 1.00 0.00 C ATOM 1248 CG PRO A 81 3.418 -16.083 7.561 1.00 0.00 C ATOM 1249 CD PRO A 81 4.871 -16.072 7.093 1.00 0.00 C ATOM 0 HA PRO A 81 4.403 -19.178 7.070 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.065 -17.789 7.594 1.00 0.00 H new ATOM 0 HB3 PRO A 81 3.384 -17.912 8.742 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.755 -15.626 6.827 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.290 -15.532 8.493 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.082 -15.192 6.485 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.557 -16.047 7.940 1.00 0.00 H new ATOM 1257 N LYS A 82 2.726 -19.917 5.436 1.00 0.00 N ATOM 1258 CA LYS A 82 2.047 -20.538 4.305 1.00 0.00 C ATOM 1259 C LYS A 82 0.636 -20.933 4.716 1.00 0.00 C ATOM 1260 O LYS A 82 0.326 -21.056 5.903 1.00 0.00 O ATOM 1261 CB LYS A 82 2.803 -21.805 3.841 1.00 0.00 C ATOM 1262 CG LYS A 82 4.296 -21.650 3.507 1.00 0.00 C ATOM 1263 CD LYS A 82 4.550 -20.643 2.374 1.00 0.00 C ATOM 1264 CE LYS A 82 6.031 -20.458 1.986 1.00 0.00 C ATOM 1265 NZ LYS A 82 6.672 -21.677 1.433 1.00 0.00 N ATOM 0 H LYS A 82 2.813 -20.536 6.242 1.00 0.00 H new ATOM 0 HA LYS A 82 2.017 -19.820 3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.708 -22.560 4.622 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.298 -22.195 2.957 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.832 -21.329 4.400 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.703 -22.620 3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.996 -20.964 1.492 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.144 -19.676 2.670 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.105 -19.657 1.251 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.588 -20.136 2.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.445 -21.978 2.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.967 -22.438 1.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.054 -21.470 0.488 1.00 0.00 H new ATOM 1279 N VAL A 83 -0.185 -21.203 3.713 1.00 0.00 N ATOM 1280 CA VAL A 83 -1.479 -21.849 3.829 1.00 0.00 C ATOM 1281 C VAL A 83 -1.375 -23.016 2.848 1.00 0.00 C ATOM 1282 O VAL A 83 -0.740 -22.890 1.796 1.00 0.00 O ATOM 1283 CB VAL A 83 -2.603 -20.840 3.516 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -3.986 -21.503 3.439 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -2.664 -19.743 4.593 1.00 0.00 C ATOM 0 H VAL A 83 0.047 -20.965 2.749 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.728 -22.211 4.826 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.361 -20.414 2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.740 -20.748 3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.985 -22.257 2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.217 -21.975 4.394 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.463 -19.042 4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.859 -20.197 5.564 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.713 -19.212 4.625 1.00 0.00 H new ATOM 1295 N LYS A 84 -1.935 -24.169 3.215 1.00 0.00 N ATOM 1296 CA LYS A 84 -1.741 -25.432 2.511 1.00 0.00 C ATOM 1297 C LYS A 84 -3.095 -26.108 2.326 1.00 0.00 C ATOM 1298 O LYS A 84 -3.983 -25.958 3.172 1.00 0.00 O ATOM 1299 CB LYS A 84 -0.785 -26.337 3.311 1.00 0.00 C ATOM 1300 CG LYS A 84 0.673 -25.842 3.334 1.00 0.00 C ATOM 1301 CD LYS A 84 1.535 -26.748 4.223 1.00 0.00 C ATOM 1302 CE LYS A 84 2.989 -26.258 4.232 1.00 0.00 C ATOM 1303 NZ LYS A 84 3.865 -27.115 5.071 1.00 0.00 N ATOM 0 H LYS A 84 -2.548 -24.250 4.026 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.296 -25.249 1.533 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.148 -26.415 4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.811 -27.341 2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.075 -25.829 2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.710 -24.818 3.705 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.140 -26.754 5.239 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.492 -27.774 3.858 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.371 -26.240 3.211 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.023 -25.234 4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.837 -26.746 5.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.517 -27.112 6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.855 -28.088 4.703 1.00 0.00 H new ATOM 1317 N GLY A 85 -3.224 -26.882 1.247 1.00 0.00 N ATOM 1318 CA GLY A 85 -4.487 -27.459 0.806 1.00 0.00 C ATOM 1319 C GLY A 85 -5.563 -26.380 0.710 1.00 0.00 C ATOM 1320 O GLY A 85 -5.267 -25.271 0.218 1.00 0.00 O ATOM 1321 OXT GLY A 85 -6.707 -26.650 1.130 1.00 0.00 O ATOM 0 H GLY A 85 -2.437 -27.128 0.647 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.356 -27.937 -0.165 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.803 -28.235 1.504 1.00 0.00 H new