USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=21 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 58 LYS NZ :NH3+ -174:sc= 1.94 (180deg=0.712) USER MOD Set 1.2: A 62 SER OG : rot 80:sc= 2.11 USER MOD Set 2.1: A 49 ASN : amide:sc= 0.539 K(o=1.8,f=-3.6) USER MOD Set 2.2: A 76 LYS NZ :NH3+ 168:sc= 1.27 (180deg=0.467) USER MOD Set 3.1: A 48 CYS SG : rot -60:sc= 0.975 USER MOD Set 3.2: A 54 SER OG : rot 40:sc= 1.95 USER MOD Set 3.3: A 71 ASN : amide:sc= 0.66 K(o=3.6,f=2.6) USER MOD Set 4.1: A 41 ASN : amide:sc= 0.761 X(o=1.5,f=1.3) USER MOD Set 4.2: A 67 THR OG1 : rot -150:sc= 0.742 USER MOD Set 5.1: A 13 TYR OH : rot -3:sc= 1.2 USER MOD Set 5.2: A 17 HIS : no HE2:sc= 0.437 K(o=1.6,f=-1.7!) USER MOD Single : A 1 ALA N :NH3+ 175:sc= 1.06 (180deg=1.04) USER MOD Single : A 3 HIS : no HE2:sc= 1.09 K(o=1.1,f=-3.3!) USER MOD Single : A 12 GLN : amide:sc= 0.253 K(o=0.25,f=-6.4!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 15 GLN : amide:sc= 0.972 K(o=0.97,f=0) USER MOD Single : A 19 GLN : amide:sc= -0.439 X(o=-0.44,f=-0.27) USER MOD Single : A 23 ASN : amide:sc= 1.86 K(o=1.9,f=-0.67) 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 180:sc= 0.00263 USER MOD Single : A 40 LYS NZ :NH3+ -168:sc= 1.02 (180deg=0.904) USER MOD Single : A 43 THR OG1 : rot 93:sc= 1.01 USER MOD Single : A 45 LYS NZ :NH3+ 174:sc= 1.23 (180deg=1.19) USER MOD Single : A 47 TYR OH : rot 180:sc= 0.281 USER MOD Single : A 53 GLN : amide:sc=-0.00796 X(o=-0.008,f=-0.37) USER MOD Single : A 56 GLN : amide:sc= 0.909 K(o=0.91,f=-5.9!) USER MOD Single : A 64 MET CE :methyl -167:sc= -0.024 (180deg=-0.348) USER MOD Single : A 66 TYR OH : rot 180:sc= 1.23 USER MOD Single : A 68 HIS : no HE2:sc= 1.08 K(o=1.1,f=-3.3!) USER MOD Single : A 80 MET CE :methyl -172:sc= 0 (180deg=-0.0758) USER MOD Single : A 82 LYS NZ :NH3+ -179:sc= 1.59 (180deg=1.59) USER MOD Single : A 84 LYS NZ :NH3+ 154:sc= 1.24 (180deg=0.432) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.229 1.202 -1.089 1.00 0.00 N ATOM 2 CA ALA A 1 -0.197 0.913 -2.106 1.00 0.00 C ATOM 3 C ALA A 1 0.160 2.213 -2.836 1.00 0.00 C ATOM 4 O ALA A 1 -0.091 3.313 -2.327 1.00 0.00 O ATOM 5 CB ALA A 1 -0.667 -0.207 -3.058 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.539 0.313 -0.647 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.833 1.831 -0.362 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.042 1.665 -1.542 1.00 0.00 H new ATOM 0 HA ALA A 1 0.709 0.539 -1.630 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.108 -0.404 -3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.860 -1.114 -2.485 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.581 0.105 -3.563 1.00 0.00 H new ATOM 13 N GLU A 2 0.773 2.111 -4.017 1.00 0.00 N ATOM 14 CA GLU A 2 0.967 3.239 -4.911 1.00 0.00 C ATOM 15 C GLU A 2 0.844 2.793 -6.368 1.00 0.00 C ATOM 16 O GLU A 2 0.986 1.606 -6.677 1.00 0.00 O ATOM 17 CB GLU A 2 2.303 3.961 -4.631 1.00 0.00 C ATOM 18 CG GLU A 2 3.589 3.226 -5.032 1.00 0.00 C ATOM 19 CD GLU A 2 3.875 1.975 -4.178 1.00 0.00 C ATOM 20 OE1 GLU A 2 4.246 2.116 -2.990 1.00 0.00 O ATOM 21 OE2 GLU A 2 3.777 0.840 -4.696 1.00 0.00 O ATOM 0 H GLU A 2 1.149 1.234 -4.377 1.00 0.00 H new ATOM 0 HA GLU A 2 0.178 3.967 -4.722 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.285 4.920 -5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.355 4.176 -3.564 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.519 2.933 -6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.431 3.913 -4.949 1.00 0.00 H new ATOM 28 N HIS A 3 0.623 3.763 -7.255 1.00 0.00 N ATOM 29 CA HIS A 3 0.526 3.582 -8.692 1.00 0.00 C ATOM 30 C HIS A 3 1.379 4.660 -9.358 1.00 0.00 C ATOM 31 O HIS A 3 1.087 5.854 -9.239 1.00 0.00 O ATOM 32 CB HIS A 3 -0.942 3.689 -9.139 1.00 0.00 C ATOM 33 CG HIS A 3 -1.779 2.473 -8.815 1.00 0.00 C ATOM 34 ND1 HIS A 3 -2.361 2.157 -7.606 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.122 1.479 -9.693 1.00 0.00 C ATOM 36 CE1 HIS A 3 -3.028 1.002 -7.753 1.00 0.00 C ATOM 37 NE2 HIS A 3 -2.914 0.543 -9.014 1.00 0.00 N ATOM 0 H HIS A 3 0.502 4.736 -6.973 1.00 0.00 H new ATOM 0 HA HIS A 3 0.887 2.595 -8.981 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.391 4.562 -8.666 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -0.971 3.860 -10.215 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -2.296 2.706 -6.749 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.832 1.426 -10.732 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -3.581 0.508 -6.968 1.00 0.00 H new ATOM 45 N TRP A 4 2.451 4.244 -10.033 1.00 0.00 N ATOM 46 CA TRP A 4 3.202 5.121 -10.920 1.00 0.00 C ATOM 47 C TRP A 4 2.338 5.344 -12.162 1.00 0.00 C ATOM 48 O TRP A 4 1.701 4.400 -12.633 1.00 0.00 O ATOM 49 CB TRP A 4 4.534 4.465 -11.309 1.00 0.00 C ATOM 50 CG TRP A 4 5.451 4.138 -10.169 1.00 0.00 C ATOM 51 CD1 TRP A 4 5.586 2.926 -9.585 1.00 0.00 C ATOM 52 CD2 TRP A 4 6.384 5.018 -9.468 1.00 0.00 C ATOM 53 NE1 TRP A 4 6.517 2.996 -8.570 1.00 0.00 N ATOM 54 CE2 TRP A 4 7.053 4.261 -8.459 1.00 0.00 C ATOM 55 CE3 TRP A 4 6.735 6.379 -9.587 1.00 0.00 C ATOM 56 CZ2 TRP A 4 8.024 4.825 -7.617 1.00 0.00 C ATOM 57 CZ3 TRP A 4 7.710 6.953 -8.750 1.00 0.00 C ATOM 58 CH2 TRP A 4 8.361 6.180 -7.772 1.00 0.00 C ATOM 0 H TRP A 4 2.818 3.294 -9.978 1.00 0.00 H new ATOM 0 HA TRP A 4 3.430 6.068 -10.431 1.00 0.00 H new ATOM 0 HB2 TRP A 4 4.320 3.546 -11.855 1.00 0.00 H new ATOM 0 HB3 TRP A 4 5.059 5.129 -11.995 1.00 0.00 H new ATOM 0 HD1 TRP A 4 5.045 2.036 -9.871 1.00 0.00 H new ATOM 0 HE1 TRP A 4 6.777 2.209 -7.975 1.00 0.00 H new ATOM 0 HE3 TRP A 4 6.248 6.990 -10.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 8.506 4.225 -6.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.961 7.998 -8.860 1.00 0.00 H new ATOM 0 HH2 TRP A 4 9.117 6.626 -7.143 1.00 0.00 H new ATOM 69 N ILE A 5 2.334 6.552 -12.723 1.00 0.00 N ATOM 70 CA ILE A 5 1.549 6.876 -13.910 1.00 0.00 C ATOM 71 C ILE A 5 2.453 7.713 -14.815 1.00 0.00 C ATOM 72 O ILE A 5 2.949 8.763 -14.402 1.00 0.00 O ATOM 73 CB ILE A 5 0.250 7.630 -13.528 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.667 6.917 -12.504 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.561 7.951 -14.793 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.375 5.648 -12.998 1.00 0.00 C ATOM 0 H ILE A 5 2.878 7.336 -12.364 1.00 0.00 H new ATOM 0 HA ILE A 5 1.226 5.974 -14.430 1.00 0.00 H new ATOM 0 HB ILE A 5 0.595 8.535 -13.027 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.069 6.658 -11.631 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.426 7.626 -12.172 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.472 8.481 -14.516 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.035 8.576 -15.458 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.821 7.024 -15.303 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.988 5.237 -12.196 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.009 5.893 -13.850 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.631 4.911 -13.300 1.00 0.00 H new ATOM 88 N ASP A 6 2.668 7.239 -16.040 1.00 0.00 N ATOM 89 CA ASP A 6 3.308 8.023 -17.088 1.00 0.00 C ATOM 90 C ASP A 6 2.217 8.881 -17.712 1.00 0.00 C ATOM 91 O ASP A 6 1.235 8.339 -18.219 1.00 0.00 O ATOM 92 CB ASP A 6 3.896 7.105 -18.164 1.00 0.00 C ATOM 93 CG ASP A 6 4.185 7.850 -19.478 1.00 0.00 C ATOM 94 OD1 ASP A 6 4.525 9.053 -19.457 1.00 0.00 O ATOM 95 OD2 ASP A 6 4.051 7.205 -20.538 1.00 0.00 O ATOM 0 H ASP A 6 2.402 6.299 -16.332 1.00 0.00 H new ATOM 0 HA ASP A 6 4.118 8.625 -16.676 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.818 6.659 -17.792 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.202 6.287 -18.358 1.00 0.00 H new ATOM 100 N VAL A 7 2.389 10.198 -17.699 1.00 0.00 N ATOM 101 CA VAL A 7 1.401 11.131 -18.260 1.00 0.00 C ATOM 102 C VAL A 7 1.876 11.833 -19.543 1.00 0.00 C ATOM 103 O VAL A 7 1.271 12.826 -19.954 1.00 0.00 O ATOM 104 CB VAL A 7 0.842 12.097 -17.192 1.00 0.00 C ATOM 105 CG1 VAL A 7 0.323 11.371 -15.942 1.00 0.00 C ATOM 106 CG2 VAL A 7 1.874 13.143 -16.755 1.00 0.00 C ATOM 0 H VAL A 7 3.211 10.654 -17.303 1.00 0.00 H new ATOM 0 HA VAL A 7 0.558 10.522 -18.585 1.00 0.00 H new ATOM 0 HB VAL A 7 0.005 12.596 -17.681 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.057 12.102 -15.228 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.479 10.689 -16.224 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.136 10.806 -15.485 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.433 13.798 -16.004 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.744 12.641 -16.333 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.180 13.735 -17.618 1.00 0.00 H new ATOM 116 N ARG A 8 2.933 11.353 -20.203 1.00 0.00 N ATOM 117 CA ARG A 8 3.413 11.938 -21.458 1.00 0.00 C ATOM 118 C ARG A 8 2.918 11.101 -22.640 1.00 0.00 C ATOM 119 O ARG A 8 2.028 10.260 -22.494 1.00 0.00 O ATOM 120 CB ARG A 8 4.945 12.073 -21.416 1.00 0.00 C ATOM 121 CG ARG A 8 5.427 13.359 -22.112 1.00 0.00 C ATOM 122 CD ARG A 8 6.953 13.388 -22.227 1.00 0.00 C ATOM 123 NE ARG A 8 7.410 14.567 -22.988 1.00 0.00 N ATOM 124 CZ ARG A 8 8.255 14.581 -24.030 1.00 0.00 C ATOM 125 NH1 ARG A 8 8.802 13.456 -24.489 1.00 0.00 N ATOM 126 NH2 ARG A 8 8.563 15.737 -24.607 1.00 0.00 N ATOM 0 H ARG A 8 3.478 10.552 -19.885 1.00 0.00 H new ATOM 0 HA ARG A 8 3.010 12.942 -21.588 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.281 12.073 -20.379 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.399 11.207 -21.898 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.984 13.426 -23.105 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.085 14.229 -21.551 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.395 13.402 -21.231 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.300 12.479 -22.717 1.00 0.00 H new ATOM 0 HE ARG A 8 7.043 15.471 -22.689 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.580 12.564 -24.047 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.442 13.487 -25.282 1.00 0.00 H new ATOM 0 HH21 ARG A 8 8.158 16.605 -24.257 1.00 0.00 H new ATOM 0 HH22 ARG A 8 9.205 15.756 -25.400 1.00 0.00 H new ATOM 140 N VAL A 9 3.458 11.357 -23.831 1.00 0.00 N ATOM 141 CA VAL A 9 3.125 10.604 -25.034 1.00 0.00 C ATOM 142 C VAL A 9 3.644 9.158 -24.914 1.00 0.00 C ATOM 143 O VAL A 9 4.674 8.939 -24.269 1.00 0.00 O ATOM 144 CB VAL A 9 3.690 11.322 -26.280 1.00 0.00 C ATOM 145 CG1 VAL A 9 2.891 12.601 -26.570 1.00 0.00 C ATOM 146 CG2 VAL A 9 5.182 11.687 -26.163 1.00 0.00 C ATOM 0 H VAL A 9 4.142 12.097 -23.987 1.00 0.00 H new ATOM 0 HA VAL A 9 2.042 10.554 -25.146 1.00 0.00 H new ATOM 0 HB VAL A 9 3.593 10.608 -27.098 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.302 13.095 -27.451 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.847 12.345 -26.751 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.956 13.273 -25.714 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.507 12.188 -27.075 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.328 12.352 -25.312 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.768 10.780 -26.019 1.00 0.00 H new ATOM 156 N PRO A 10 3.007 8.176 -25.585 1.00 0.00 N ATOM 157 CA PRO A 10 3.507 6.804 -25.679 1.00 0.00 C ATOM 158 C PRO A 10 4.955 6.688 -26.167 1.00 0.00 C ATOM 159 O PRO A 10 5.599 5.672 -25.913 1.00 0.00 O ATOM 160 CB PRO A 10 2.568 6.081 -26.650 1.00 0.00 C ATOM 161 CG PRO A 10 1.263 6.862 -26.545 1.00 0.00 C ATOM 162 CD PRO A 10 1.729 8.292 -26.277 1.00 0.00 C ATOM 0 HA PRO A 10 3.518 6.366 -24.681 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.959 6.091 -27.667 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.432 5.036 -26.371 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.679 6.795 -27.463 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.633 6.486 -25.738 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.839 8.847 -27.208 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.003 8.831 -25.668 1.00 0.00 H new ATOM 170 N GLU A 11 5.484 7.700 -26.863 1.00 0.00 N ATOM 171 CA GLU A 11 6.843 7.679 -27.390 1.00 0.00 C ATOM 172 C GLU A 11 7.892 7.558 -26.277 1.00 0.00 C ATOM 173 O GLU A 11 8.948 6.977 -26.536 1.00 0.00 O ATOM 174 CB GLU A 11 7.110 8.919 -28.259 1.00 0.00 C ATOM 175 CG GLU A 11 6.184 8.989 -29.482 1.00 0.00 C ATOM 176 CD GLU A 11 6.557 10.159 -30.410 1.00 0.00 C ATOM 177 OE1 GLU A 11 7.424 9.988 -31.297 1.00 0.00 O ATOM 178 OE2 GLU A 11 5.972 11.259 -30.279 1.00 0.00 O ATOM 0 H GLU A 11 4.975 8.558 -27.075 1.00 0.00 H new ATOM 0 HA GLU A 11 6.933 6.790 -28.015 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.978 9.817 -27.655 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.148 8.909 -28.593 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.241 8.052 -30.036 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.152 9.101 -29.151 1.00 0.00 H new ATOM 185 N GLN A 12 7.635 8.051 -25.050 1.00 0.00 N ATOM 186 CA GLN A 12 8.534 7.730 -23.939 1.00 0.00 C ATOM 187 C GLN A 12 8.292 6.284 -23.501 1.00 0.00 C ATOM 188 O GLN A 12 9.244 5.517 -23.387 1.00 0.00 O ATOM 189 CB GLN A 12 8.483 8.735 -22.766 1.00 0.00 C ATOM 190 CG GLN A 12 7.239 8.749 -21.858 1.00 0.00 C ATOM 191 CD GLN A 12 7.515 9.497 -20.552 1.00 0.00 C ATOM 192 OE1 GLN A 12 7.628 10.720 -20.527 1.00 0.00 O ATOM 193 NE2 GLN A 12 7.684 8.782 -19.448 1.00 0.00 N ATOM 0 H GLN A 12 6.843 8.649 -24.813 1.00 0.00 H new ATOM 0 HA GLN A 12 9.557 7.826 -24.303 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.352 8.550 -22.134 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.600 9.735 -23.183 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.408 9.222 -22.382 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.936 7.726 -21.637 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.588 7.767 -19.478 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.910 9.247 -18.569 1.00 0.00 H new ATOM 202 N TYR A 13 7.024 5.894 -23.323 1.00 0.00 N ATOM 203 CA TYR A 13 6.640 4.617 -22.741 1.00 0.00 C ATOM 204 C TYR A 13 7.260 3.450 -23.507 1.00 0.00 C ATOM 205 O TYR A 13 7.783 2.513 -22.906 1.00 0.00 O ATOM 206 CB TYR A 13 5.107 4.511 -22.708 1.00 0.00 C ATOM 207 CG TYR A 13 4.577 3.433 -21.782 1.00 0.00 C ATOM 208 CD1 TYR A 13 4.448 3.698 -20.406 1.00 0.00 C ATOM 209 CD2 TYR A 13 4.199 2.175 -22.290 1.00 0.00 C ATOM 210 CE1 TYR A 13 3.963 2.710 -19.533 1.00 0.00 C ATOM 211 CE2 TYR A 13 3.701 1.184 -21.425 1.00 0.00 C ATOM 212 CZ TYR A 13 3.589 1.442 -20.038 1.00 0.00 C ATOM 213 OH TYR A 13 3.116 0.471 -19.208 1.00 0.00 O ATOM 0 H TYR A 13 6.227 6.473 -23.587 1.00 0.00 H new ATOM 0 HA TYR A 13 7.020 4.565 -21.721 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.694 5.472 -22.402 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.746 4.316 -23.718 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.724 4.668 -20.018 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.292 1.971 -23.346 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.876 2.918 -18.477 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.403 0.224 -21.820 1.00 0.00 H new ATOM 0 HH TYR A 13 3.140 0.792 -18.282 1.00 0.00 H new ATOM 223 N GLN A 14 7.234 3.536 -24.839 1.00 0.00 N ATOM 224 CA GLN A 14 7.775 2.530 -25.737 1.00 0.00 C ATOM 225 C GLN A 14 9.269 2.315 -25.480 1.00 0.00 C ATOM 226 O GLN A 14 9.681 1.170 -25.287 1.00 0.00 O ATOM 227 CB GLN A 14 7.506 2.963 -27.187 1.00 0.00 C ATOM 228 CG GLN A 14 6.016 2.821 -27.549 1.00 0.00 C ATOM 229 CD GLN A 14 5.625 3.513 -28.859 1.00 0.00 C ATOM 230 OE1 GLN A 14 6.456 3.972 -29.640 1.00 0.00 O ATOM 231 NE2 GLN A 14 4.333 3.602 -29.131 1.00 0.00 N ATOM 0 H GLN A 14 6.824 4.331 -25.329 1.00 0.00 H new ATOM 0 HA GLN A 14 7.284 1.574 -25.556 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.818 3.999 -27.323 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.106 2.358 -27.866 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.770 1.762 -27.622 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.415 3.233 -26.739 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.647 3.220 -28.480 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.023 4.053 -29.992 1.00 0.00 H new ATOM 240 N GLN A 15 10.072 3.386 -25.462 1.00 0.00 N ATOM 241 CA GLN A 15 11.523 3.254 -25.356 1.00 0.00 C ATOM 242 C GLN A 15 11.947 2.878 -23.933 1.00 0.00 C ATOM 243 O GLN A 15 12.810 2.012 -23.791 1.00 0.00 O ATOM 244 CB GLN A 15 12.252 4.489 -25.919 1.00 0.00 C ATOM 245 CG GLN A 15 11.969 5.815 -25.202 1.00 0.00 C ATOM 246 CD GLN A 15 12.549 7.002 -25.970 1.00 0.00 C ATOM 247 OE1 GLN A 15 13.745 7.281 -25.919 1.00 0.00 O ATOM 248 NE2 GLN A 15 11.715 7.723 -26.703 1.00 0.00 N ATOM 0 H GLN A 15 9.739 4.349 -25.519 1.00 0.00 H new ATOM 0 HA GLN A 15 11.836 2.423 -25.988 1.00 0.00 H new ATOM 0 HB2 GLN A 15 13.325 4.301 -25.885 1.00 0.00 H new ATOM 0 HB3 GLN A 15 11.981 4.600 -26.969 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.893 5.945 -25.087 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.395 5.786 -24.199 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.725 7.480 -26.736 1.00 0.00 H new ATOM 0 HE22 GLN A 15 12.063 8.521 -27.234 1.00 0.00 H new ATOM 257 N GLU A 16 11.341 3.459 -22.892 1.00 0.00 N ATOM 258 CA GLU A 16 11.487 3.011 -21.509 1.00 0.00 C ATOM 259 C GLU A 16 10.426 3.691 -20.637 1.00 0.00 C ATOM 260 O GLU A 16 10.177 4.891 -20.763 1.00 0.00 O ATOM 261 CB GLU A 16 12.906 3.255 -20.942 1.00 0.00 C ATOM 262 CG GLU A 16 13.319 4.729 -20.796 1.00 0.00 C ATOM 263 CD GLU A 16 14.845 4.875 -20.657 1.00 0.00 C ATOM 264 OE1 GLU A 16 15.390 4.627 -19.558 1.00 0.00 O ATOM 265 OE2 GLU A 16 15.516 5.255 -21.644 1.00 0.00 O ATOM 0 H GLU A 16 10.726 4.267 -22.992 1.00 0.00 H new ATOM 0 HA GLU A 16 11.339 1.931 -21.496 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.974 2.779 -19.964 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.627 2.757 -21.590 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.976 5.292 -21.664 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.830 5.160 -19.923 1.00 0.00 H new ATOM 272 N HIS A 17 9.848 2.946 -19.699 1.00 0.00 N ATOM 273 CA HIS A 17 8.954 3.464 -18.677 1.00 0.00 C ATOM 274 C HIS A 17 9.361 2.878 -17.333 1.00 0.00 C ATOM 275 O HIS A 17 9.947 1.794 -17.273 1.00 0.00 O ATOM 276 CB HIS A 17 7.494 3.140 -19.020 1.00 0.00 C ATOM 277 CG HIS A 17 7.105 1.681 -18.939 1.00 0.00 C ATOM 278 ND1 HIS A 17 6.653 1.018 -17.820 1.00 0.00 N ATOM 279 CD2 HIS A 17 7.035 0.796 -19.982 1.00 0.00 C ATOM 280 CE1 HIS A 17 6.308 -0.228 -18.185 1.00 0.00 C ATOM 281 NE2 HIS A 17 6.531 -0.418 -19.497 1.00 0.00 N ATOM 0 H HIS A 17 9.995 1.939 -19.630 1.00 0.00 H new ATOM 0 HA HIS A 17 9.033 4.550 -18.627 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.849 3.706 -18.348 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.291 3.495 -20.031 1.00 0.00 H new ATOM 0 HD1 HIS A 17 6.591 1.405 -16.878 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.320 0.999 -21.004 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.906 -0.975 -17.516 1.00 0.00 H new ATOM 289 N VAL A 18 9.039 3.596 -16.259 1.00 0.00 N ATOM 290 CA VAL A 18 9.206 3.139 -14.886 1.00 0.00 C ATOM 291 C VAL A 18 8.439 1.826 -14.735 1.00 0.00 C ATOM 292 O VAL A 18 7.279 1.732 -15.150 1.00 0.00 O ATOM 293 CB VAL A 18 8.714 4.255 -13.941 1.00 0.00 C ATOM 294 CG1 VAL A 18 8.599 3.808 -12.477 1.00 0.00 C ATOM 295 CG2 VAL A 18 9.666 5.459 -14.032 1.00 0.00 C ATOM 0 H VAL A 18 8.645 4.535 -16.324 1.00 0.00 H new ATOM 0 HA VAL A 18 10.247 2.941 -14.629 1.00 0.00 H new ATOM 0 HB VAL A 18 7.710 4.524 -14.269 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.248 4.642 -11.869 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.892 2.982 -12.403 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.575 3.483 -12.118 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.319 6.248 -13.365 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.670 5.152 -13.740 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.684 5.832 -15.056 1.00 0.00 H new ATOM 305 N GLN A 19 9.089 0.807 -14.170 1.00 0.00 N ATOM 306 CA GLN A 19 8.491 -0.500 -13.956 1.00 0.00 C ATOM 307 C GLN A 19 7.217 -0.323 -13.119 1.00 0.00 C ATOM 308 O GLN A 19 7.273 0.176 -11.995 1.00 0.00 O ATOM 309 CB GLN A 19 9.540 -1.431 -13.318 1.00 0.00 C ATOM 310 CG GLN A 19 9.102 -2.901 -13.194 1.00 0.00 C ATOM 311 CD GLN A 19 8.239 -3.174 -11.958 1.00 0.00 C ATOM 312 OE1 GLN A 19 8.744 -3.305 -10.846 1.00 0.00 O ATOM 313 NE2 GLN A 19 6.927 -3.268 -12.113 1.00 0.00 N ATOM 0 H GLN A 19 10.054 0.873 -13.847 1.00 0.00 H new ATOM 0 HA GLN A 19 8.189 -0.973 -14.891 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.454 -1.387 -13.910 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.785 -1.054 -12.325 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.545 -3.183 -14.087 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.988 -3.535 -13.157 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.514 -3.158 -13.039 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.330 -3.450 -11.306 1.00 0.00 H new ATOM 322 N GLY A 20 6.075 -0.725 -13.687 1.00 0.00 N ATOM 323 CA GLY A 20 4.771 -0.681 -13.030 1.00 0.00 C ATOM 324 C GLY A 20 3.928 0.517 -13.471 1.00 0.00 C ATOM 325 O GLY A 20 2.726 0.539 -13.197 1.00 0.00 O ATOM 0 H GLY A 20 6.034 -1.097 -14.636 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.228 -1.601 -13.246 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.914 -0.642 -11.950 1.00 0.00 H new ATOM 329 N ALA A 21 4.526 1.502 -14.152 1.00 0.00 N ATOM 330 CA ALA A 21 3.777 2.618 -14.724 1.00 0.00 C ATOM 331 C ALA A 21 2.920 2.150 -15.893 1.00 0.00 C ATOM 332 O ALA A 21 3.204 1.144 -16.549 1.00 0.00 O ATOM 333 CB ALA A 21 4.699 3.761 -15.174 1.00 0.00 C ATOM 0 H ALA A 21 5.531 1.545 -14.319 1.00 0.00 H new ATOM 0 HA ALA A 21 3.129 3.003 -13.937 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.099 4.569 -15.593 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.262 4.133 -14.318 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.391 3.393 -15.931 1.00 0.00 H new ATOM 339 N ILE A 22 1.917 2.965 -16.199 1.00 0.00 N ATOM 340 CA ILE A 22 0.982 2.799 -17.296 1.00 0.00 C ATOM 341 C ILE A 22 0.823 4.175 -17.943 1.00 0.00 C ATOM 342 O ILE A 22 0.853 5.194 -17.245 1.00 0.00 O ATOM 343 CB ILE A 22 -0.345 2.189 -16.783 1.00 0.00 C ATOM 344 CG1 ILE A 22 -0.908 2.904 -15.529 1.00 0.00 C ATOM 345 CG2 ILE A 22 -0.146 0.683 -16.522 1.00 0.00 C ATOM 346 CD1 ILE A 22 -2.276 2.389 -15.066 1.00 0.00 C ATOM 0 H ILE A 22 1.727 3.806 -15.654 1.00 0.00 H new ATOM 0 HA ILE A 22 1.341 2.096 -18.048 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.094 2.335 -17.561 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.196 2.792 -14.712 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.987 3.971 -15.739 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.079 0.250 -16.161 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.148 0.189 -17.448 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.633 0.543 -15.773 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.594 2.944 -14.184 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.006 2.526 -15.864 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.202 1.330 -14.821 1.00 0.00 H new ATOM 358 N ASN A 23 0.730 4.204 -19.275 1.00 0.00 N ATOM 359 CA ASN A 23 0.641 5.438 -20.046 1.00 0.00 C ATOM 360 C ASN A 23 -0.793 5.961 -19.992 1.00 0.00 C ATOM 361 O ASN A 23 -1.691 5.360 -20.585 1.00 0.00 O ATOM 362 CB ASN A 23 1.082 5.209 -21.499 1.00 0.00 C ATOM 363 CG ASN A 23 0.916 6.492 -22.305 1.00 0.00 C ATOM 364 OD1 ASN A 23 -0.010 6.627 -23.096 1.00 0.00 O ATOM 365 ND2 ASN A 23 1.787 7.461 -22.099 1.00 0.00 N ATOM 0 H ASN A 23 0.715 3.362 -19.850 1.00 0.00 H new ATOM 0 HA ASN A 23 1.312 6.180 -19.612 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.123 4.886 -21.525 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.489 4.411 -21.946 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.697 8.343 -22.603 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.551 7.328 -21.436 1.00 0.00 H new ATOM 372 N ILE A 24 -0.997 7.074 -19.292 1.00 0.00 N ATOM 373 CA ILE A 24 -2.269 7.762 -19.107 1.00 0.00 C ATOM 374 C ILE A 24 -1.992 9.257 -19.380 1.00 0.00 C ATOM 375 O ILE A 24 -1.774 10.016 -18.435 1.00 0.00 O ATOM 376 CB ILE A 24 -2.838 7.509 -17.684 1.00 0.00 C ATOM 377 CG1 ILE A 24 -2.866 6.038 -17.201 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.248 8.108 -17.607 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.844 5.109 -17.928 1.00 0.00 C ATOM 0 H ILE A 24 -0.232 7.547 -18.811 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.033 7.391 -19.790 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.138 7.995 -17.005 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.862 5.625 -17.300 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.110 6.030 -16.139 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.662 7.938 -16.613 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.199 9.179 -17.802 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.886 7.633 -18.352 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.776 4.107 -17.505 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.860 5.485 -17.809 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.593 5.074 -18.988 1.00 0.00 H new ATOM 391 N PRO A 25 -1.895 9.684 -20.654 1.00 0.00 N ATOM 392 CA PRO A 25 -1.439 11.018 -21.031 1.00 0.00 C ATOM 393 C PRO A 25 -2.191 12.154 -20.334 1.00 0.00 C ATOM 394 O PRO A 25 -3.384 12.042 -20.047 1.00 0.00 O ATOM 395 CB PRO A 25 -1.593 11.102 -22.552 1.00 0.00 C ATOM 396 CG PRO A 25 -1.440 9.646 -22.977 1.00 0.00 C ATOM 397 CD PRO A 25 -2.155 8.905 -21.852 1.00 0.00 C ATOM 0 HA PRO A 25 -0.405 11.152 -20.711 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.562 11.510 -22.840 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.832 11.739 -23.003 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.899 9.455 -23.947 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.393 9.353 -23.057 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.225 8.830 -22.048 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.778 7.888 -21.749 1.00 0.00 H new ATOM 405 N LEU A 26 -1.511 13.289 -20.146 1.00 0.00 N ATOM 406 CA LEU A 26 -2.029 14.499 -19.506 1.00 0.00 C ATOM 407 C LEU A 26 -3.388 14.925 -20.072 1.00 0.00 C ATOM 408 O LEU A 26 -4.269 15.333 -19.319 1.00 0.00 O ATOM 409 CB LEU A 26 -0.985 15.622 -19.679 1.00 0.00 C ATOM 410 CG LEU A 26 -1.438 17.004 -19.160 1.00 0.00 C ATOM 411 CD1 LEU A 26 -1.672 16.985 -17.649 1.00 0.00 C ATOM 412 CD2 LEU A 26 -0.384 18.065 -19.486 1.00 0.00 C ATOM 0 H LEU A 26 -0.543 13.393 -20.449 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.194 14.293 -18.449 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.071 15.334 -19.159 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.736 15.709 -20.737 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.377 17.247 -19.657 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.990 17.974 -17.318 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.446 16.256 -17.410 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.747 16.712 -17.141 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.716 19.034 -19.114 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.560 17.798 -19.011 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.244 18.119 -20.566 1.00 0.00 H new ATOM 424 N LYS A 27 -3.572 14.808 -21.391 1.00 0.00 N ATOM 425 CA LYS A 27 -4.806 15.203 -22.071 1.00 0.00 C ATOM 426 C LYS A 27 -6.006 14.325 -21.691 1.00 0.00 C ATOM 427 O LYS A 27 -7.134 14.683 -22.028 1.00 0.00 O ATOM 428 CB LYS A 27 -4.585 15.188 -23.596 1.00 0.00 C ATOM 429 CG LYS A 27 -3.488 16.148 -24.097 1.00 0.00 C ATOM 430 CD LYS A 27 -3.809 17.627 -23.834 1.00 0.00 C ATOM 431 CE LYS A 27 -2.741 18.519 -24.482 1.00 0.00 C ATOM 432 NZ LYS A 27 -3.020 19.965 -24.287 1.00 0.00 N ATOM 0 H LYS A 27 -2.862 14.433 -22.020 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.049 16.213 -21.742 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.329 14.174 -23.902 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.524 15.442 -24.088 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.545 15.896 -23.612 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.345 15.999 -25.167 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.792 17.872 -24.237 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.849 17.814 -22.761 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.765 18.279 -24.059 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.688 18.302 -25.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.272 20.527 -24.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.939 20.202 -24.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.044 20.180 -23.270 1.00 0.00 H new ATOM 446 N GLU A 28 -5.795 13.196 -21.007 1.00 0.00 N ATOM 447 CA GLU A 28 -6.825 12.202 -20.720 1.00 0.00 C ATOM 448 C GLU A 28 -6.853 11.819 -19.235 1.00 0.00 C ATOM 449 O GLU A 28 -7.844 11.246 -18.780 1.00 0.00 O ATOM 450 CB GLU A 28 -6.578 10.948 -21.570 1.00 0.00 C ATOM 451 CG GLU A 28 -6.464 11.199 -23.081 1.00 0.00 C ATOM 452 CD GLU A 28 -6.374 9.882 -23.872 1.00 0.00 C ATOM 453 OE1 GLU A 28 -5.623 8.969 -23.460 1.00 0.00 O ATOM 454 OE2 GLU A 28 -7.049 9.758 -24.921 1.00 0.00 O ATOM 0 H GLU A 28 -4.881 12.945 -20.630 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.791 12.641 -20.968 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.661 10.470 -21.226 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.390 10.243 -21.395 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.328 11.769 -23.421 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.582 11.806 -23.283 1.00 0.00 H new ATOM 461 N VAL A 29 -5.801 12.137 -18.467 1.00 0.00 N ATOM 462 CA VAL A 29 -5.642 11.774 -17.062 1.00 0.00 C ATOM 463 C VAL A 29 -6.867 12.167 -16.221 1.00 0.00 C ATOM 464 O VAL A 29 -7.244 11.418 -15.323 1.00 0.00 O ATOM 465 CB VAL A 29 -4.291 12.344 -16.541 1.00 0.00 C ATOM 466 CG1 VAL A 29 -4.359 13.825 -16.136 1.00 0.00 C ATOM 467 CG2 VAL A 29 -3.753 11.511 -15.371 1.00 0.00 C ATOM 0 H VAL A 29 -5.011 12.674 -18.826 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.595 10.690 -16.962 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.605 12.278 -17.386 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.381 14.151 -15.783 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.653 14.425 -16.998 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.092 13.951 -15.339 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.808 11.933 -15.028 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.474 11.523 -14.554 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.594 10.484 -15.699 1.00 0.00 H new ATOM 477 N LYS A 30 -7.533 13.283 -16.555 1.00 0.00 N ATOM 478 CA LYS A 30 -8.736 13.760 -15.873 1.00 0.00 C ATOM 479 C LYS A 30 -9.815 12.678 -15.795 1.00 0.00 C ATOM 480 O LYS A 30 -10.486 12.566 -14.774 1.00 0.00 O ATOM 481 CB LYS A 30 -9.260 15.021 -16.571 1.00 0.00 C ATOM 482 CG LYS A 30 -10.237 15.761 -15.644 1.00 0.00 C ATOM 483 CD LYS A 30 -10.817 17.020 -16.285 1.00 0.00 C ATOM 484 CE LYS A 30 -9.770 18.120 -16.522 1.00 0.00 C ATOM 485 NZ LYS A 30 -10.369 19.342 -17.117 1.00 0.00 N ATOM 0 H LYS A 30 -7.241 13.888 -17.323 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.471 14.009 -14.845 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.428 15.674 -16.834 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.760 14.752 -17.501 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.051 15.090 -15.370 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.723 16.031 -14.722 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.277 16.755 -17.237 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.608 17.413 -15.646 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.292 18.375 -15.576 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.990 17.741 -17.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.628 20.058 -17.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.803 19.106 -18.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.096 19.720 -16.476 1.00 0.00 H new ATOM 499 N GLU A 31 -9.979 11.877 -16.849 1.00 0.00 N ATOM 500 CA GLU A 31 -11.039 10.878 -16.921 1.00 0.00 C ATOM 501 C GLU A 31 -10.450 9.485 -16.716 1.00 0.00 C ATOM 502 O GLU A 31 -10.980 8.700 -15.929 1.00 0.00 O ATOM 503 CB GLU A 31 -11.765 10.979 -18.272 1.00 0.00 C ATOM 504 CG GLU A 31 -12.526 12.305 -18.426 1.00 0.00 C ATOM 505 CD GLU A 31 -13.320 12.349 -19.743 1.00 0.00 C ATOM 506 OE1 GLU A 31 -14.502 11.935 -19.762 1.00 0.00 O ATOM 507 OE2 GLU A 31 -12.782 12.818 -20.772 1.00 0.00 O ATOM 0 H GLU A 31 -9.380 11.905 -17.674 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.767 11.062 -16.131 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.040 10.883 -19.080 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.464 10.148 -18.370 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -13.207 12.435 -17.585 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.821 13.136 -18.397 1.00 0.00 H new ATOM 514 N ARG A 32 -9.329 9.176 -17.377 1.00 0.00 N ATOM 515 CA ARG A 32 -8.744 7.835 -17.351 1.00 0.00 C ATOM 516 C ARG A 32 -8.249 7.438 -15.962 1.00 0.00 C ATOM 517 O ARG A 32 -8.135 6.241 -15.696 1.00 0.00 O ATOM 518 CB ARG A 32 -7.606 7.731 -18.373 1.00 0.00 C ATOM 519 CG ARG A 32 -8.095 7.725 -19.829 1.00 0.00 C ATOM 520 CD ARG A 32 -6.932 7.564 -20.820 1.00 0.00 C ATOM 521 NE ARG A 32 -6.335 6.215 -20.782 1.00 0.00 N ATOM 522 CZ ARG A 32 -5.277 5.810 -21.500 1.00 0.00 C ATOM 523 NH1 ARG A 32 -4.689 6.619 -22.376 1.00 0.00 N ATOM 524 NH2 ARG A 32 -4.803 4.580 -21.333 1.00 0.00 N ATOM 0 H ARG A 32 -8.806 9.846 -17.941 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.536 7.136 -17.619 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.922 8.567 -18.230 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.039 6.819 -18.184 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.808 6.913 -19.970 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.625 8.654 -20.038 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.288 7.771 -21.829 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.163 8.304 -20.595 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.763 5.533 -20.157 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.041 7.567 -22.512 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.885 6.292 -22.912 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.243 3.950 -20.662 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.999 4.265 -21.876 1.00 0.00 H new ATOM 538 N ILE A 33 -7.975 8.386 -15.057 1.00 0.00 N ATOM 539 CA ILE A 33 -7.601 8.028 -13.694 1.00 0.00 C ATOM 540 C ILE A 33 -8.690 7.168 -13.032 1.00 0.00 C ATOM 541 O ILE A 33 -8.355 6.274 -12.258 1.00 0.00 O ATOM 542 CB ILE A 33 -7.214 9.275 -12.870 1.00 0.00 C ATOM 543 CG1 ILE A 33 -6.463 8.879 -11.578 1.00 0.00 C ATOM 544 CG2 ILE A 33 -8.432 10.171 -12.563 1.00 0.00 C ATOM 545 CD1 ILE A 33 -5.028 8.392 -11.818 1.00 0.00 C ATOM 0 H ILE A 33 -8.006 9.388 -15.244 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.705 7.408 -13.731 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.535 9.867 -13.484 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.438 9.737 -10.907 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.023 8.094 -11.070 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.111 11.035 -11.982 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.880 10.509 -13.498 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.167 9.603 -11.993 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.567 8.133 -10.865 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.045 7.514 -12.463 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.451 9.183 -12.297 1.00 0.00 H new ATOM 557 N ALA A 34 -9.971 7.366 -13.381 1.00 0.00 N ATOM 558 CA ALA A 34 -11.090 6.662 -12.764 1.00 0.00 C ATOM 559 C ALA A 34 -11.014 5.140 -12.944 1.00 0.00 C ATOM 560 O ALA A 34 -11.610 4.412 -12.149 1.00 0.00 O ATOM 561 CB ALA A 34 -12.410 7.200 -13.326 1.00 0.00 C ATOM 0 H ALA A 34 -10.254 8.026 -14.106 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.037 6.849 -11.691 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.244 6.672 -12.864 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.490 8.265 -13.110 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.436 7.045 -14.405 1.00 0.00 H new ATOM 567 N THR A 35 -10.291 4.651 -13.954 1.00 0.00 N ATOM 568 CA THR A 35 -10.117 3.234 -14.234 1.00 0.00 C ATOM 569 C THR A 35 -8.657 2.813 -14.014 1.00 0.00 C ATOM 570 O THR A 35 -8.412 1.671 -13.619 1.00 0.00 O ATOM 571 CB THR A 35 -10.607 2.957 -15.667 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.165 3.966 -16.561 1.00 0.00 O ATOM 573 CG2 THR A 35 -12.139 2.916 -15.725 1.00 0.00 C ATOM 0 H THR A 35 -9.799 5.252 -14.615 1.00 0.00 H new ATOM 0 HA THR A 35 -10.711 2.633 -13.546 1.00 0.00 H new ATOM 0 HB THR A 35 -10.195 1.992 -15.961 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.488 3.767 -17.465 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.459 2.719 -16.748 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.507 2.125 -15.071 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.541 3.875 -15.397 1.00 0.00 H new ATOM 581 N ALA A 36 -7.689 3.722 -14.197 1.00 0.00 N ATOM 582 CA ALA A 36 -6.286 3.463 -13.892 1.00 0.00 C ATOM 583 C ALA A 36 -6.073 3.248 -12.386 1.00 0.00 C ATOM 584 O ALA A 36 -5.325 2.351 -11.997 1.00 0.00 O ATOM 585 CB ALA A 36 -5.431 4.633 -14.388 1.00 0.00 C ATOM 0 H ALA A 36 -7.864 4.658 -14.562 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.984 2.549 -14.403 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.383 4.440 -14.160 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.554 4.742 -15.465 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.747 5.551 -13.892 1.00 0.00 H new ATOM 591 N VAL A 37 -6.733 4.054 -11.546 1.00 0.00 N ATOM 592 CA VAL A 37 -6.626 4.036 -10.091 1.00 0.00 C ATOM 593 C VAL A 37 -8.033 4.325 -9.531 1.00 0.00 C ATOM 594 O VAL A 37 -8.363 5.481 -9.256 1.00 0.00 O ATOM 595 CB VAL A 37 -5.552 5.020 -9.581 1.00 0.00 C ATOM 596 CG1 VAL A 37 -5.290 4.782 -8.086 1.00 0.00 C ATOM 597 CG2 VAL A 37 -4.206 4.936 -10.321 1.00 0.00 C ATOM 0 H VAL A 37 -7.383 4.765 -11.881 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.288 3.062 -9.738 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.962 6.012 -9.770 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.531 5.480 -7.734 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.212 4.936 -7.526 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.941 3.760 -7.936 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.512 5.662 -9.897 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.793 3.933 -10.213 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.358 5.154 -11.378 1.00 0.00 H new ATOM 607 N PRO A 38 -8.910 3.310 -9.413 1.00 0.00 N ATOM 608 CA PRO A 38 -10.290 3.525 -8.989 1.00 0.00 C ATOM 609 C PRO A 38 -10.393 3.944 -7.515 1.00 0.00 C ATOM 610 O PRO A 38 -11.301 4.698 -7.159 1.00 0.00 O ATOM 611 CB PRO A 38 -11.014 2.204 -9.269 1.00 0.00 C ATOM 612 CG PRO A 38 -9.902 1.156 -9.220 1.00 0.00 C ATOM 613 CD PRO A 38 -8.683 1.911 -9.746 1.00 0.00 C ATOM 0 HA PRO A 38 -10.745 4.351 -9.535 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.784 2.005 -8.523 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.508 2.217 -10.241 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.741 0.788 -8.207 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.137 0.291 -9.840 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.766 1.543 -9.285 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.575 1.778 -10.822 1.00 0.00 H new ATOM 621 N ASP A 39 -9.479 3.483 -6.651 1.00 0.00 N ATOM 622 CA ASP A 39 -9.393 3.933 -5.261 1.00 0.00 C ATOM 623 C ASP A 39 -8.646 5.264 -5.230 1.00 0.00 C ATOM 624 O ASP A 39 -7.413 5.294 -5.206 1.00 0.00 O ATOM 625 CB ASP A 39 -8.702 2.892 -4.367 1.00 0.00 C ATOM 626 CG ASP A 39 -8.546 3.369 -2.905 1.00 0.00 C ATOM 627 OD1 ASP A 39 -8.974 4.492 -2.553 1.00 0.00 O ATOM 628 OD2 ASP A 39 -8.015 2.583 -2.087 1.00 0.00 O ATOM 0 H ASP A 39 -8.778 2.785 -6.900 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.400 4.062 -4.864 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.277 1.966 -4.383 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.718 2.663 -4.777 1.00 0.00 H new ATOM 633 N LYS A 40 -9.385 6.376 -5.247 1.00 0.00 N ATOM 634 CA LYS A 40 -8.791 7.708 -5.312 1.00 0.00 C ATOM 635 C LYS A 40 -8.014 8.131 -4.059 1.00 0.00 C ATOM 636 O LYS A 40 -7.484 9.244 -4.041 1.00 0.00 O ATOM 637 CB LYS A 40 -9.831 8.747 -5.759 1.00 0.00 C ATOM 638 CG LYS A 40 -10.956 9.055 -4.758 1.00 0.00 C ATOM 639 CD LYS A 40 -11.721 10.333 -5.152 1.00 0.00 C ATOM 640 CE LYS A 40 -12.374 10.245 -6.541 1.00 0.00 C ATOM 641 NZ LYS A 40 -13.032 11.517 -6.938 1.00 0.00 N ATOM 0 H LYS A 40 -10.405 6.376 -5.216 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.017 7.655 -6.077 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.310 9.677 -5.986 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.284 8.401 -6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.647 8.214 -4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.535 9.174 -3.760 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.492 10.531 -4.407 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.035 11.180 -5.133 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.616 9.985 -7.280 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.111 9.442 -6.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.625 11.354 -7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.625 11.860 -6.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.307 12.228 -7.160 1.00 0.00 H new ATOM 655 N ASN A 41 -7.937 7.289 -3.022 1.00 0.00 N ATOM 656 CA ASN A 41 -7.115 7.538 -1.841 1.00 0.00 C ATOM 657 C ASN A 41 -5.830 6.702 -1.859 1.00 0.00 C ATOM 658 O ASN A 41 -4.954 6.923 -1.022 1.00 0.00 O ATOM 659 CB ASN A 41 -7.943 7.276 -0.573 1.00 0.00 C ATOM 660 CG ASN A 41 -7.188 7.624 0.707 1.00 0.00 C ATOM 661 OD1 ASN A 41 -6.881 6.757 1.521 1.00 0.00 O ATOM 662 ND2 ASN A 41 -6.895 8.895 0.931 1.00 0.00 N ATOM 0 H ASN A 41 -8.450 6.408 -2.983 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.804 8.583 -1.846 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.862 7.860 -0.618 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.233 6.226 -0.544 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.409 9.163 1.787 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.155 9.606 0.248 1.00 0.00 H new ATOM 669 N ASP A 42 -5.679 5.757 -2.794 1.00 0.00 N ATOM 670 CA ASP A 42 -4.403 5.070 -3.000 1.00 0.00 C ATOM 671 C ASP A 42 -3.374 6.061 -3.558 1.00 0.00 C ATOM 672 O ASP A 42 -3.748 7.009 -4.253 1.00 0.00 O ATOM 673 CB ASP A 42 -4.565 3.882 -3.951 1.00 0.00 C ATOM 674 CG ASP A 42 -3.291 3.032 -3.947 1.00 0.00 C ATOM 675 OD1 ASP A 42 -3.014 2.406 -2.899 1.00 0.00 O ATOM 676 OD2 ASP A 42 -2.582 2.991 -4.975 1.00 0.00 O ATOM 0 H ASP A 42 -6.425 5.452 -3.419 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.055 4.685 -2.041 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.418 3.275 -3.647 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.771 4.239 -4.960 1.00 0.00 H new ATOM 681 N THR A 43 -2.089 5.872 -3.251 1.00 0.00 N ATOM 682 CA THR A 43 -1.042 6.815 -3.636 1.00 0.00 C ATOM 683 C THR A 43 -0.904 6.848 -5.166 1.00 0.00 C ATOM 684 O THR A 43 -0.927 5.799 -5.813 1.00 0.00 O ATOM 685 CB THR A 43 0.284 6.423 -2.958 1.00 0.00 C ATOM 686 OG1 THR A 43 0.083 5.988 -1.626 1.00 0.00 O ATOM 687 CG2 THR A 43 1.336 7.535 -2.958 1.00 0.00 C ATOM 0 H THR A 43 -1.748 5.064 -2.731 1.00 0.00 H new ATOM 0 HA THR A 43 -1.309 7.818 -3.303 1.00 0.00 H new ATOM 0 HB THR A 43 0.668 5.604 -3.567 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.014 5.013 -1.611 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.240 7.181 -2.463 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.571 7.814 -3.985 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.948 8.403 -2.426 1.00 0.00 H new ATOM 695 N VAL A 44 -0.676 8.024 -5.753 1.00 0.00 N ATOM 696 CA VAL A 44 -0.457 8.169 -7.190 1.00 0.00 C ATOM 697 C VAL A 44 0.814 8.991 -7.373 1.00 0.00 C ATOM 698 O VAL A 44 0.984 10.017 -6.714 1.00 0.00 O ATOM 699 CB VAL A 44 -1.680 8.812 -7.882 1.00 0.00 C ATOM 700 CG1 VAL A 44 -1.503 8.796 -9.408 1.00 0.00 C ATOM 701 CG2 VAL A 44 -2.993 8.085 -7.561 1.00 0.00 C ATOM 0 H VAL A 44 -0.638 8.906 -5.241 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.334 7.195 -7.663 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.738 9.832 -7.501 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.373 9.252 -9.880 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.608 9.358 -9.676 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.402 7.767 -9.752 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.818 8.580 -8.074 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.927 7.050 -7.896 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.168 8.108 -6.485 1.00 0.00 H new ATOM 711 N LYS A 45 1.700 8.542 -8.264 1.00 0.00 N ATOM 712 CA LYS A 45 3.004 9.147 -8.514 1.00 0.00 C ATOM 713 C LYS A 45 3.086 9.421 -10.009 1.00 0.00 C ATOM 714 O LYS A 45 3.476 8.545 -10.785 1.00 0.00 O ATOM 715 CB LYS A 45 4.129 8.225 -8.007 1.00 0.00 C ATOM 716 CG LYS A 45 4.161 8.115 -6.473 1.00 0.00 C ATOM 717 CD LYS A 45 5.207 7.084 -6.026 1.00 0.00 C ATOM 718 CE LYS A 45 5.275 6.937 -4.499 1.00 0.00 C ATOM 719 NZ LYS A 45 6.109 7.980 -3.850 1.00 0.00 N ATOM 0 H LYS A 45 1.522 7.724 -8.847 1.00 0.00 H new ATOM 0 HA LYS A 45 3.127 10.085 -7.972 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.000 7.231 -8.436 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.089 8.602 -8.360 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.392 9.087 -6.038 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.177 7.826 -6.103 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.972 6.117 -6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.186 7.378 -6.403 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.265 6.981 -4.090 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.676 5.954 -4.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.035 7.890 -2.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.101 7.860 -4.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.776 8.921 -4.141 1.00 0.00 H new ATOM 733 N VAL A 46 2.631 10.601 -10.428 1.00 0.00 N ATOM 734 CA VAL A 46 2.687 10.998 -11.830 1.00 0.00 C ATOM 735 C VAL A 46 4.120 11.416 -12.171 1.00 0.00 C ATOM 736 O VAL A 46 4.782 12.091 -11.373 1.00 0.00 O ATOM 737 CB VAL A 46 1.652 12.105 -12.144 1.00 0.00 C ATOM 738 CG1 VAL A 46 0.230 11.531 -12.206 1.00 0.00 C ATOM 739 CG2 VAL A 46 1.638 13.272 -11.146 1.00 0.00 C ATOM 0 H VAL A 46 2.218 11.300 -9.811 1.00 0.00 H new ATOM 0 HA VAL A 46 2.417 10.153 -12.463 1.00 0.00 H new ATOM 0 HB VAL A 46 1.969 12.497 -13.110 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.476 12.331 -12.428 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.177 10.773 -12.988 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.023 11.080 -11.246 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.883 13.998 -11.446 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.404 12.896 -10.150 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.617 13.751 -11.133 1.00 0.00 H new ATOM 749 N TYR A 47 4.595 11.075 -13.368 1.00 0.00 N ATOM 750 CA TYR A 47 5.870 11.531 -13.907 1.00 0.00 C ATOM 751 C TYR A 47 5.752 11.663 -15.432 1.00 0.00 C ATOM 752 O TYR A 47 4.823 11.133 -16.050 1.00 0.00 O ATOM 753 CB TYR A 47 7.003 10.577 -13.491 1.00 0.00 C ATOM 754 CG TYR A 47 7.021 9.282 -14.276 1.00 0.00 C ATOM 755 CD1 TYR A 47 6.139 8.240 -13.942 1.00 0.00 C ATOM 756 CD2 TYR A 47 7.886 9.145 -15.377 1.00 0.00 C ATOM 757 CE1 TYR A 47 6.110 7.069 -14.716 1.00 0.00 C ATOM 758 CE2 TYR A 47 7.873 7.970 -16.144 1.00 0.00 C ATOM 759 CZ TYR A 47 6.982 6.927 -15.820 1.00 0.00 C ATOM 760 OH TYR A 47 6.984 5.799 -16.585 1.00 0.00 O ATOM 0 H TYR A 47 4.089 10.458 -14.004 1.00 0.00 H new ATOM 0 HA TYR A 47 6.119 12.510 -13.499 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.959 11.084 -13.619 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.903 10.348 -12.430 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.483 8.340 -13.090 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.562 9.947 -15.633 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.421 6.276 -14.468 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.546 7.865 -16.982 1.00 0.00 H new ATOM 0 HH TYR A 47 7.651 5.888 -17.297 1.00 0.00 H new ATOM 770 N CYS A 48 6.708 12.369 -16.033 1.00 0.00 N ATOM 771 CA CYS A 48 6.904 12.478 -17.472 1.00 0.00 C ATOM 772 C CYS A 48 8.387 12.772 -17.713 1.00 0.00 C ATOM 773 O CYS A 48 9.122 13.066 -16.767 1.00 0.00 O ATOM 774 CB CYS A 48 6.008 13.595 -18.035 1.00 0.00 C ATOM 775 SG CYS A 48 6.433 15.197 -17.301 1.00 0.00 S ATOM 0 H CYS A 48 7.397 12.904 -15.504 1.00 0.00 H new ATOM 0 HA CYS A 48 6.628 11.554 -17.981 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.120 13.645 -19.118 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.962 13.364 -17.833 1.00 0.00 H new ATOM 0 HG CYS A 48 6.269 15.141 -16.013 1.00 0.00 H new ATOM 781 N ASN A 49 8.820 12.754 -18.972 1.00 0.00 N ATOM 782 CA ASN A 49 10.206 12.983 -19.393 1.00 0.00 C ATOM 783 C ASN A 49 10.835 14.297 -18.889 1.00 0.00 C ATOM 784 O ASN A 49 12.062 14.408 -18.897 1.00 0.00 O ATOM 785 CB ASN A 49 10.272 12.914 -20.931 1.00 0.00 C ATOM 786 CG ASN A 49 11.706 12.852 -21.454 1.00 0.00 C ATOM 787 OD1 ASN A 49 12.559 12.160 -20.903 1.00 0.00 O ATOM 788 ND2 ASN A 49 12.008 13.563 -22.528 1.00 0.00 N ATOM 0 H ASN A 49 8.195 12.573 -19.757 1.00 0.00 H new ATOM 0 HA ASN A 49 10.802 12.197 -18.930 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.725 12.036 -21.276 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.773 13.787 -21.352 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.955 13.540 -22.905 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.293 14.135 -22.979 1.00 0.00 H new ATOM 795 N ALA A 50 10.037 15.286 -18.460 1.00 0.00 N ATOM 796 CA ALA A 50 10.518 16.630 -18.124 1.00 0.00 C ATOM 797 C ALA A 50 9.904 17.213 -16.836 1.00 0.00 C ATOM 798 O ALA A 50 10.087 18.401 -16.566 1.00 0.00 O ATOM 799 CB ALA A 50 10.255 17.548 -19.328 1.00 0.00 C ATOM 0 H ALA A 50 9.031 15.172 -18.336 1.00 0.00 H new ATOM 0 HA ALA A 50 11.585 16.560 -17.914 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.605 18.555 -19.101 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.787 17.167 -20.199 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.186 17.574 -19.539 1.00 0.00 H new ATOM 805 N GLY A 51 9.151 16.433 -16.051 1.00 0.00 N ATOM 806 CA GLY A 51 8.513 16.855 -14.806 1.00 0.00 C ATOM 807 C GLY A 51 7.260 17.699 -15.016 1.00 0.00 C ATOM 808 O GLY A 51 6.243 17.451 -14.368 1.00 0.00 O ATOM 0 H GLY A 51 8.965 15.456 -16.277 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.252 15.971 -14.224 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.230 17.425 -14.215 1.00 0.00 H new ATOM 812 N ARG A 52 7.303 18.659 -15.942 1.00 0.00 N ATOM 813 CA ARG A 52 6.273 19.675 -16.118 1.00 0.00 C ATOM 814 C ARG A 52 4.887 19.075 -16.294 1.00 0.00 C ATOM 815 O ARG A 52 3.973 19.444 -15.561 1.00 0.00 O ATOM 816 CB ARG A 52 6.656 20.578 -17.306 1.00 0.00 C ATOM 817 CG ARG A 52 5.620 21.649 -17.701 1.00 0.00 C ATOM 818 CD ARG A 52 5.516 22.836 -16.728 1.00 0.00 C ATOM 819 NE ARG A 52 4.632 22.576 -15.574 1.00 0.00 N ATOM 820 CZ ARG A 52 4.964 22.556 -14.277 1.00 0.00 C ATOM 821 NH1 ARG A 52 6.233 22.641 -13.884 1.00 0.00 N ATOM 822 NH2 ARG A 52 3.993 22.452 -13.378 1.00 0.00 N ATOM 0 H ARG A 52 8.074 18.750 -16.603 1.00 0.00 H new ATOM 0 HA ARG A 52 6.221 20.275 -15.209 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.595 21.079 -17.069 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.843 19.944 -18.173 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.871 22.030 -18.691 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.641 21.176 -17.781 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.513 23.085 -16.363 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.147 23.708 -17.269 1.00 0.00 H new ATOM 0 HE ARG A 52 3.653 22.390 -15.791 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.977 22.724 -14.577 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.461 22.624 -12.890 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.021 22.390 -13.682 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.219 22.434 -12.383 1.00 0.00 H new ATOM 836 N GLN A 53 4.722 18.161 -17.251 1.00 0.00 N ATOM 837 CA GLN A 53 3.404 17.642 -17.600 1.00 0.00 C ATOM 838 C GLN A 53 2.818 16.852 -16.428 1.00 0.00 C ATOM 839 O GLN A 53 1.622 16.947 -16.162 1.00 0.00 O ATOM 840 CB GLN A 53 3.474 16.794 -18.883 1.00 0.00 C ATOM 841 CG GLN A 53 4.089 17.505 -20.102 1.00 0.00 C ATOM 842 CD GLN A 53 3.287 18.728 -20.556 1.00 0.00 C ATOM 843 OE1 GLN A 53 3.372 19.802 -19.967 1.00 0.00 O ATOM 844 NE2 GLN A 53 2.497 18.603 -21.611 1.00 0.00 N ATOM 0 H GLN A 53 5.487 17.766 -17.797 1.00 0.00 H new ATOM 0 HA GLN A 53 2.737 18.480 -17.802 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.055 15.895 -18.675 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.466 16.470 -19.141 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.105 17.815 -19.859 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.160 16.798 -20.929 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.431 17.708 -22.096 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.954 19.402 -21.939 1.00 0.00 H new ATOM 853 N SER A 54 3.647 16.129 -15.672 1.00 0.00 N ATOM 854 CA SER A 54 3.213 15.494 -14.436 1.00 0.00 C ATOM 855 C SER A 54 2.871 16.511 -13.351 1.00 0.00 C ATOM 856 O SER A 54 1.912 16.291 -12.618 1.00 0.00 O ATOM 857 CB SER A 54 4.235 14.462 -13.979 1.00 0.00 C ATOM 858 OG SER A 54 5.579 14.817 -14.287 1.00 0.00 O ATOM 0 H SER A 54 4.628 15.971 -15.901 1.00 0.00 H new ATOM 0 HA SER A 54 2.283 14.964 -14.638 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.142 14.323 -12.902 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.005 13.504 -14.445 1.00 0.00 H new ATOM 0 HG SER A 54 5.705 15.778 -14.142 1.00 0.00 H new ATOM 864 N GLY A 55 3.573 17.643 -13.279 1.00 0.00 N ATOM 865 CA GLY A 55 3.195 18.764 -12.432 1.00 0.00 C ATOM 866 C GLY A 55 1.756 19.198 -12.722 1.00 0.00 C ATOM 867 O GLY A 55 0.957 19.354 -11.798 1.00 0.00 O ATOM 0 H GLY A 55 4.427 17.804 -13.814 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.291 18.483 -11.383 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.874 19.600 -12.602 1.00 0.00 H new ATOM 871 N GLN A 56 1.399 19.317 -14.007 1.00 0.00 N ATOM 872 CA GLN A 56 0.043 19.679 -14.418 1.00 0.00 C ATOM 873 C GLN A 56 -0.942 18.584 -14.021 1.00 0.00 C ATOM 874 O GLN A 56 -1.966 18.866 -13.399 1.00 0.00 O ATOM 875 CB GLN A 56 -0.061 19.914 -15.927 1.00 0.00 C ATOM 876 CG GLN A 56 0.942 20.949 -16.425 1.00 0.00 C ATOM 877 CD GLN A 56 0.818 22.312 -15.751 1.00 0.00 C ATOM 878 OE1 GLN A 56 1.677 22.690 -14.957 1.00 0.00 O ATOM 879 NE2 GLN A 56 -0.229 23.070 -16.032 1.00 0.00 N ATOM 0 H GLN A 56 2.041 19.165 -14.785 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.202 20.611 -13.908 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.103 18.972 -16.451 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.071 20.244 -16.172 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.951 20.568 -16.266 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.815 21.075 -17.500 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.933 22.742 -16.693 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.332 23.982 -15.588 1.00 0.00 H new ATOM 888 N ALA A 57 -0.621 17.328 -14.355 1.00 0.00 N ATOM 889 CA ALA A 57 -1.484 16.191 -14.068 1.00 0.00 C ATOM 890 C ALA A 57 -1.768 16.096 -12.576 1.00 0.00 C ATOM 891 O ALA A 57 -2.887 15.777 -12.191 1.00 0.00 O ATOM 892 CB ALA A 57 -0.851 14.887 -14.566 1.00 0.00 C ATOM 0 H ALA A 57 0.246 17.078 -14.832 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.426 16.343 -14.595 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.514 14.052 -14.341 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.695 14.946 -15.643 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.107 14.735 -14.069 1.00 0.00 H new ATOM 898 N LYS A 58 -0.786 16.414 -11.732 1.00 0.00 N ATOM 899 CA LYS A 58 -0.946 16.316 -10.280 1.00 0.00 C ATOM 900 C LYS A 58 -2.061 17.269 -9.844 1.00 0.00 C ATOM 901 O LYS A 58 -2.891 16.909 -9.010 1.00 0.00 O ATOM 902 CB LYS A 58 0.411 16.588 -9.592 1.00 0.00 C ATOM 903 CG LYS A 58 0.605 15.982 -8.185 1.00 0.00 C ATOM 904 CD LYS A 58 -0.336 16.457 -7.064 1.00 0.00 C ATOM 905 CE LYS A 58 -0.426 17.983 -7.079 1.00 0.00 C ATOM 906 NZ LYS A 58 -1.221 18.565 -5.975 1.00 0.00 N ATOM 0 H LYS A 58 0.132 16.743 -12.030 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.246 15.313 -9.977 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.203 16.210 -10.238 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.547 17.667 -9.520 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.506 14.900 -8.270 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.629 16.185 -7.871 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.327 16.023 -7.200 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.032 16.114 -6.097 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.583 18.394 -7.038 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.860 18.299 -8.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.315 19.591 -6.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.165 18.130 -5.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.742 18.384 -5.070 1.00 0.00 H new ATOM 920 N GLU A 59 -2.114 18.478 -10.404 1.00 0.00 N ATOM 921 CA GLU A 59 -3.155 19.443 -10.075 1.00 0.00 C ATOM 922 C GLU A 59 -4.507 19.012 -10.657 1.00 0.00 C ATOM 923 O GLU A 59 -5.517 19.165 -9.974 1.00 0.00 O ATOM 924 CB GLU A 59 -2.753 20.848 -10.551 1.00 0.00 C ATOM 925 CG GLU A 59 -1.575 21.434 -9.753 1.00 0.00 C ATOM 926 CD GLU A 59 -1.945 21.746 -8.289 1.00 0.00 C ATOM 927 OE1 GLU A 59 -2.457 22.855 -8.014 1.00 0.00 O ATOM 928 OE2 GLU A 59 -1.710 20.892 -7.404 1.00 0.00 O ATOM 0 H GLU A 59 -1.440 18.811 -11.093 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.267 19.478 -8.991 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.485 20.806 -11.607 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.611 21.515 -10.466 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.743 20.730 -9.771 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.231 22.347 -10.239 1.00 0.00 H new ATOM 935 N ILE A 60 -4.550 18.411 -11.855 1.00 0.00 N ATOM 936 CA ILE A 60 -5.787 17.840 -12.406 1.00 0.00 C ATOM 937 C ILE A 60 -6.322 16.775 -11.441 1.00 0.00 C ATOM 938 O ILE A 60 -7.507 16.766 -11.114 1.00 0.00 O ATOM 939 CB ILE A 60 -5.557 17.258 -13.826 1.00 0.00 C ATOM 940 CG1 ILE A 60 -5.196 18.375 -14.829 1.00 0.00 C ATOM 941 CG2 ILE A 60 -6.791 16.484 -14.330 1.00 0.00 C ATOM 942 CD1 ILE A 60 -4.859 17.852 -16.233 1.00 0.00 C ATOM 0 H ILE A 60 -3.738 18.308 -12.463 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.531 18.630 -12.509 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.722 16.561 -13.754 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.031 19.072 -14.900 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.344 18.936 -14.445 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.592 16.091 -15.327 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.005 15.659 -13.651 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.650 17.154 -14.369 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.615 18.691 -16.885 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.005 17.178 -16.175 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.718 17.316 -16.637 1.00 0.00 H new ATOM 954 N LEU A 61 -5.453 15.885 -10.963 1.00 0.00 N ATOM 955 CA LEU A 61 -5.826 14.820 -10.044 1.00 0.00 C ATOM 956 C LEU A 61 -6.324 15.393 -8.718 1.00 0.00 C ATOM 957 O LEU A 61 -7.281 14.877 -8.140 1.00 0.00 O ATOM 958 CB LEU A 61 -4.622 13.886 -9.839 1.00 0.00 C ATOM 959 CG LEU A 61 -4.284 12.995 -11.061 1.00 0.00 C ATOM 960 CD1 LEU A 61 -3.293 11.901 -10.657 1.00 0.00 C ATOM 961 CD2 LEU A 61 -5.514 12.358 -11.716 1.00 0.00 C ATOM 0 H LEU A 61 -4.463 15.886 -11.207 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.648 14.245 -10.470 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.748 14.489 -9.592 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.819 13.244 -8.980 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.840 13.656 -11.805 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.063 11.281 -11.523 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.377 12.359 -10.285 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.733 11.282 -9.875 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.200 11.749 -12.564 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.029 11.730 -10.989 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.189 13.141 -12.062 1.00 0.00 H new ATOM 973 N SER A 62 -5.719 16.487 -8.259 1.00 0.00 N ATOM 974 CA SER A 62 -6.154 17.174 -7.052 1.00 0.00 C ATOM 975 C SER A 62 -7.541 17.802 -7.259 1.00 0.00 C ATOM 976 O SER A 62 -8.379 17.737 -6.360 1.00 0.00 O ATOM 977 CB SER A 62 -5.104 18.212 -6.650 1.00 0.00 C ATOM 978 OG SER A 62 -3.824 17.600 -6.546 1.00 0.00 O ATOM 0 H SER A 62 -4.915 16.919 -8.715 1.00 0.00 H new ATOM 0 HA SER A 62 -6.250 16.458 -6.236 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.073 19.014 -7.388 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.377 18.666 -5.697 1.00 0.00 H new ATOM 0 HG SER A 62 -3.435 17.502 -7.440 1.00 0.00 H new ATOM 984 N GLU A 63 -7.831 18.347 -8.447 1.00 0.00 N ATOM 985 CA GLU A 63 -9.148 18.877 -8.795 1.00 0.00 C ATOM 986 C GLU A 63 -10.186 17.742 -8.859 1.00 0.00 C ATOM 987 O GLU A 63 -11.321 17.912 -8.414 1.00 0.00 O ATOM 988 CB GLU A 63 -9.049 19.643 -10.128 1.00 0.00 C ATOM 989 CG GLU A 63 -10.302 20.458 -10.480 1.00 0.00 C ATOM 990 CD GLU A 63 -10.519 21.651 -9.529 1.00 0.00 C ATOM 991 OE1 GLU A 63 -9.951 22.740 -9.773 1.00 0.00 O ATOM 992 OE2 GLU A 63 -11.279 21.524 -8.543 1.00 0.00 O ATOM 0 H GLU A 63 -7.148 18.432 -9.200 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.483 19.571 -8.025 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.192 20.315 -10.085 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.855 18.931 -10.930 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.217 20.824 -11.503 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.176 19.807 -10.446 1.00 0.00 H new ATOM 999 N MET A 64 -9.782 16.556 -9.333 1.00 0.00 N ATOM 1000 CA MET A 64 -10.575 15.324 -9.288 1.00 0.00 C ATOM 1001 C MET A 64 -10.731 14.771 -7.859 1.00 0.00 C ATOM 1002 O MET A 64 -11.374 13.735 -7.666 1.00 0.00 O ATOM 1003 CB MET A 64 -9.955 14.269 -10.225 1.00 0.00 C ATOM 1004 CG MET A 64 -10.135 14.610 -11.710 1.00 0.00 C ATOM 1005 SD MET A 64 -11.852 14.652 -12.306 1.00 0.00 S ATOM 1006 CE MET A 64 -12.334 12.919 -12.045 1.00 0.00 C ATOM 0 H MET A 64 -8.870 16.425 -9.770 1.00 0.00 H new ATOM 0 HA MET A 64 -11.580 15.566 -9.633 1.00 0.00 H new ATOM 0 HB2 MET A 64 -8.891 14.175 -10.005 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.409 13.299 -10.023 1.00 0.00 H new ATOM 0 HG2 MET A 64 -9.680 15.583 -11.898 1.00 0.00 H new ATOM 0 HG3 MET A 64 -9.582 13.880 -12.301 1.00 0.00 H new ATOM 0 HE1 MET A 64 -13.270 12.719 -12.566 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.555 12.262 -12.433 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.466 12.735 -10.979 1.00 0.00 H new ATOM 1016 N GLY A 65 -10.163 15.432 -6.846 1.00 0.00 N ATOM 1017 CA GLY A 65 -10.338 15.082 -5.446 1.00 0.00 C ATOM 1018 C GLY A 65 -9.553 13.836 -5.040 1.00 0.00 C ATOM 1019 O GLY A 65 -9.840 13.268 -3.984 1.00 0.00 O ATOM 0 H GLY A 65 -9.558 16.241 -6.986 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.024 15.921 -4.825 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.397 14.918 -5.248 1.00 0.00 H new ATOM 1023 N TYR A 66 -8.589 13.387 -5.853 1.00 0.00 N ATOM 1024 CA TYR A 66 -7.677 12.327 -5.446 1.00 0.00 C ATOM 1025 C TYR A 66 -6.836 12.822 -4.265 1.00 0.00 C ATOM 1026 O TYR A 66 -6.610 14.026 -4.101 1.00 0.00 O ATOM 1027 CB TYR A 66 -6.793 11.864 -6.616 1.00 0.00 C ATOM 1028 CG TYR A 66 -7.448 10.869 -7.557 1.00 0.00 C ATOM 1029 CD1 TYR A 66 -8.606 11.209 -8.285 1.00 0.00 C ATOM 1030 CD2 TYR A 66 -6.927 9.563 -7.648 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -9.278 10.234 -9.044 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -7.590 8.587 -8.409 1.00 0.00 C ATOM 1033 CZ TYR A 66 -8.786 8.909 -9.087 1.00 0.00 C ATOM 1034 OH TYR A 66 -9.474 7.947 -9.760 1.00 0.00 O ATOM 0 H TYR A 66 -8.426 13.745 -6.794 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.254 11.457 -5.133 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.488 12.739 -7.190 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.885 11.416 -6.211 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.979 12.222 -8.260 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.013 9.312 -7.130 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.170 10.497 -9.594 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.185 7.588 -8.476 1.00 0.00 H new ATOM 0 HH TYR A 66 -8.997 7.094 -9.690 1.00 0.00 H new ATOM 1044 N THR A 67 -6.343 11.883 -3.464 1.00 0.00 N ATOM 1045 CA THR A 67 -5.511 12.135 -2.294 1.00 0.00 C ATOM 1046 C THR A 67 -4.285 11.214 -2.363 1.00 0.00 C ATOM 1047 O THR A 67 -4.260 10.269 -3.156 1.00 0.00 O ATOM 1048 CB THR A 67 -6.350 11.976 -1.007 1.00 0.00 C ATOM 1049 OG1 THR A 67 -7.256 10.889 -1.087 1.00 0.00 O ATOM 1050 CG2 THR A 67 -7.174 13.232 -0.707 1.00 0.00 C ATOM 0 H THR A 67 -6.519 10.890 -3.618 1.00 0.00 H new ATOM 0 HA THR A 67 -5.142 13.160 -2.277 1.00 0.00 H new ATOM 0 HB THR A 67 -5.625 11.798 -0.213 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.046 11.081 -0.540 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.750 13.080 0.206 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.506 14.083 -0.577 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.854 13.428 -1.536 1.00 0.00 H new ATOM 1058 N HIS A 68 -3.249 11.517 -1.568 1.00 0.00 N ATOM 1059 CA HIS A 68 -1.920 10.903 -1.672 1.00 0.00 C ATOM 1060 C HIS A 68 -1.362 10.996 -3.108 1.00 0.00 C ATOM 1061 O HIS A 68 -0.682 10.088 -3.590 1.00 0.00 O ATOM 1062 CB HIS A 68 -1.929 9.475 -1.093 1.00 0.00 C ATOM 1063 CG HIS A 68 -2.436 9.366 0.325 1.00 0.00 C ATOM 1064 ND1 HIS A 68 -3.454 8.548 0.759 1.00 0.00 N ATOM 1065 CD2 HIS A 68 -1.938 10.007 1.429 1.00 0.00 C ATOM 1066 CE1 HIS A 68 -3.567 8.689 2.089 1.00 0.00 C ATOM 1067 NE2 HIS A 68 -2.664 9.577 2.549 1.00 0.00 N ATOM 0 H HIS A 68 -3.314 12.209 -0.821 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.222 11.472 -1.058 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.545 8.843 -1.733 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -0.915 9.076 -1.132 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -4.024 7.940 0.171 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.127 10.720 1.435 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -4.282 8.164 2.705 1.00 0.00 H new ATOM 1075 N VAL A 69 -1.671 12.087 -3.813 1.00 0.00 N ATOM 1076 CA VAL A 69 -1.136 12.357 -5.144 1.00 0.00 C ATOM 1077 C VAL A 69 0.219 13.048 -4.962 1.00 0.00 C ATOM 1078 O VAL A 69 0.385 13.866 -4.052 1.00 0.00 O ATOM 1079 CB VAL A 69 -2.099 13.243 -5.964 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -1.815 13.088 -7.464 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -3.581 12.913 -5.742 1.00 0.00 C ATOM 0 H VAL A 69 -2.304 12.811 -3.472 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.019 11.426 -5.698 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.919 14.261 -5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.501 13.718 -8.031 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.789 13.389 -7.673 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.954 12.047 -7.755 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.196 13.576 -6.350 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.770 11.878 -6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.831 13.050 -4.690 1.00 0.00 H new ATOM 1091 N GLU A 70 1.175 12.756 -5.838 1.00 0.00 N ATOM 1092 CA GLU A 70 2.519 13.302 -5.804 1.00 0.00 C ATOM 1093 C GLU A 70 3.073 13.304 -7.231 1.00 0.00 C ATOM 1094 O GLU A 70 2.659 12.501 -8.072 1.00 0.00 O ATOM 1095 CB GLU A 70 3.351 12.398 -4.870 1.00 0.00 C ATOM 1096 CG GLU A 70 4.828 12.786 -4.729 1.00 0.00 C ATOM 1097 CD GLU A 70 5.530 11.907 -3.681 1.00 0.00 C ATOM 1098 OE1 GLU A 70 5.708 10.693 -3.931 1.00 0.00 O ATOM 1099 OE2 GLU A 70 5.920 12.425 -2.609 1.00 0.00 O ATOM 0 H GLU A 70 1.026 12.112 -6.615 1.00 0.00 H new ATOM 0 HA GLU A 70 2.546 14.326 -5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.894 12.407 -3.881 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.295 11.374 -5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.329 12.681 -5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.907 13.834 -4.441 1.00 0.00 H new ATOM 1106 N ASN A 71 4.037 14.189 -7.491 1.00 0.00 N ATOM 1107 CA ASN A 71 4.851 14.177 -8.698 1.00 0.00 C ATOM 1108 C ASN A 71 6.287 13.971 -8.236 1.00 0.00 C ATOM 1109 O ASN A 71 6.815 14.798 -7.490 1.00 0.00 O ATOM 1110 CB ASN A 71 4.713 15.485 -9.493 1.00 0.00 C ATOM 1111 CG ASN A 71 5.834 15.645 -10.523 1.00 0.00 C ATOM 1112 OD1 ASN A 71 6.476 16.686 -10.593 1.00 0.00 O ATOM 1113 ND2 ASN A 71 6.117 14.626 -11.325 1.00 0.00 N ATOM 0 H ASN A 71 4.275 14.948 -6.852 1.00 0.00 H new ATOM 0 HA ASN A 71 4.528 13.384 -9.372 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.748 15.502 -10.000 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.727 16.331 -8.806 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.873 14.707 -12.005 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.578 13.762 -11.261 1.00 0.00 H new ATOM 1120 N ALA A 72 6.899 12.858 -8.651 1.00 0.00 N ATOM 1121 CA ALA A 72 8.247 12.493 -8.229 1.00 0.00 C ATOM 1122 C ALA A 72 9.280 13.541 -8.668 1.00 0.00 C ATOM 1123 O ALA A 72 10.193 13.865 -7.909 1.00 0.00 O ATOM 1124 CB ALA A 72 8.588 11.118 -8.811 1.00 0.00 C ATOM 0 H ALA A 72 6.471 12.187 -9.289 1.00 0.00 H new ATOM 0 HA ALA A 72 8.280 12.453 -7.140 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.594 10.832 -8.503 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.873 10.381 -8.445 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.540 11.161 -9.899 1.00 0.00 H new ATOM 1130 N GLY A 73 9.121 14.081 -9.881 1.00 0.00 N ATOM 1131 CA GLY A 73 9.996 15.099 -10.460 1.00 0.00 C ATOM 1132 C GLY A 73 10.221 14.875 -11.948 1.00 0.00 C ATOM 1133 O GLY A 73 10.454 15.832 -12.681 1.00 0.00 O ATOM 0 H GLY A 73 8.358 13.813 -10.502 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.559 16.085 -10.304 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.955 15.090 -9.943 1.00 0.00 H new ATOM 1137 N GLY A 74 10.111 13.626 -12.400 1.00 0.00 N ATOM 1138 CA GLY A 74 10.153 13.250 -13.803 1.00 0.00 C ATOM 1139 C GLY A 74 10.750 11.860 -13.956 1.00 0.00 C ATOM 1140 O GLY A 74 11.221 11.266 -12.984 1.00 0.00 O ATOM 0 H GLY A 74 9.987 12.828 -11.777 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.147 13.270 -14.223 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.747 13.972 -14.363 1.00 0.00 H new ATOM 1144 N LEU A 75 10.787 11.359 -15.192 1.00 0.00 N ATOM 1145 CA LEU A 75 11.489 10.118 -15.533 1.00 0.00 C ATOM 1146 C LEU A 75 12.978 10.238 -15.178 1.00 0.00 C ATOM 1147 O LEU A 75 13.599 9.259 -14.769 1.00 0.00 O ATOM 1148 CB LEU A 75 11.309 9.837 -17.039 1.00 0.00 C ATOM 1149 CG LEU A 75 12.044 8.592 -17.580 1.00 0.00 C ATOM 1150 CD1 LEU A 75 11.619 7.297 -16.880 1.00 0.00 C ATOM 1151 CD2 LEU A 75 11.774 8.460 -19.083 1.00 0.00 C ATOM 0 H LEU A 75 10.330 11.803 -15.988 1.00 0.00 H new ATOM 0 HA LEU A 75 11.071 9.289 -14.961 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.244 9.725 -17.244 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.651 10.709 -17.596 1.00 0.00 H new ATOM 0 HG LEU A 75 13.106 8.735 -17.382 1.00 0.00 H new ATOM 0 HD11 LEU A 75 12.170 6.457 -17.303 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.834 7.372 -15.814 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.550 7.139 -17.024 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.291 7.582 -19.470 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.702 8.354 -19.252 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.136 9.350 -19.597 1.00 0.00 H new ATOM 1163 N LYS A 76 13.538 11.450 -15.313 1.00 0.00 N ATOM 1164 CA LYS A 76 14.910 11.754 -14.919 1.00 0.00 C ATOM 1165 C LYS A 76 15.107 11.545 -13.416 1.00 0.00 C ATOM 1166 O LYS A 76 16.175 11.092 -13.003 1.00 0.00 O ATOM 1167 CB LYS A 76 15.265 13.212 -15.271 1.00 0.00 C ATOM 1168 CG LYS A 76 15.056 13.633 -16.736 1.00 0.00 C ATOM 1169 CD LYS A 76 15.803 12.745 -17.745 1.00 0.00 C ATOM 1170 CE LYS A 76 15.944 13.431 -19.113 1.00 0.00 C ATOM 1171 NZ LYS A 76 14.648 13.683 -19.791 1.00 0.00 N ATOM 0 H LYS A 76 13.041 12.250 -15.703 1.00 0.00 H new ATOM 0 HA LYS A 76 15.566 11.076 -15.465 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.670 13.871 -14.638 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.310 13.381 -15.013 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.990 13.609 -16.963 1.00 0.00 H new ATOM 0 HG3 LYS A 76 15.385 14.665 -16.859 1.00 0.00 H new ATOM 0 HD2 LYS A 76 16.792 12.504 -17.355 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.269 11.802 -17.864 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.466 14.379 -18.982 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.567 12.811 -19.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.797 14.320 -20.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.252 12.783 -20.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.985 14.123 -19.121 1.00 0.00 H new ATOM 1185 N ASP A 77 14.110 11.906 -12.600 1.00 0.00 N ATOM 1186 CA ASP A 77 14.222 11.834 -11.147 1.00 0.00 C ATOM 1187 C ASP A 77 14.096 10.392 -10.670 1.00 0.00 C ATOM 1188 O ASP A 77 14.911 9.955 -9.856 1.00 0.00 O ATOM 1189 CB ASP A 77 13.150 12.688 -10.457 1.00 0.00 C ATOM 1190 CG ASP A 77 13.293 12.577 -8.928 1.00 0.00 C ATOM 1191 OD1 ASP A 77 14.092 13.342 -8.342 1.00 0.00 O ATOM 1192 OD2 ASP A 77 12.618 11.724 -8.311 1.00 0.00 O ATOM 0 H ASP A 77 13.210 12.254 -12.930 1.00 0.00 H new ATOM 0 HA ASP A 77 15.204 12.224 -10.880 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.248 13.729 -10.765 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.157 12.357 -10.763 1.00 0.00 H new ATOM 1197 N ILE A 78 13.092 9.654 -11.166 1.00 0.00 N ATOM 1198 CA ILE A 78 12.783 8.325 -10.646 1.00 0.00 C ATOM 1199 C ILE A 78 13.971 7.377 -10.871 1.00 0.00 C ATOM 1200 O ILE A 78 14.406 7.171 -12.007 1.00 0.00 O ATOM 1201 CB ILE A 78 11.467 7.818 -11.275 1.00 0.00 C ATOM 1202 CG1 ILE A 78 10.297 8.709 -10.810 1.00 0.00 C ATOM 1203 CG2 ILE A 78 11.195 6.358 -10.872 1.00 0.00 C ATOM 1204 CD1 ILE A 78 9.043 8.524 -11.658 1.00 0.00 C ATOM 0 H ILE A 78 12.484 9.960 -11.926 1.00 0.00 H new ATOM 0 HA ILE A 78 12.626 8.367 -9.568 1.00 0.00 H new ATOM 0 HB ILE A 78 11.560 7.866 -12.360 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.064 8.482 -9.770 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.605 9.754 -10.847 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.263 6.023 -11.327 1.00 0.00 H new ATOM 0 HG22 ILE A 78 12.014 5.727 -11.216 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.115 6.289 -9.787 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.252 9.175 -11.285 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.264 8.778 -12.695 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.715 7.486 -11.601 1.00 0.00 H new ATOM 1216 N ALA A 79 14.437 6.730 -9.796 1.00 0.00 N ATOM 1217 CA ALA A 79 15.558 5.786 -9.809 1.00 0.00 C ATOM 1218 C ALA A 79 15.093 4.335 -9.621 1.00 0.00 C ATOM 1219 O ALA A 79 15.857 3.464 -9.198 1.00 0.00 O ATOM 1220 CB ALA A 79 16.605 6.225 -8.775 1.00 0.00 C ATOM 0 H ALA A 79 14.032 6.853 -8.868 1.00 0.00 H new ATOM 0 HA ALA A 79 16.029 5.804 -10.792 1.00 0.00 H new ATOM 0 HB1 ALA A 79 17.440 5.524 -8.783 1.00 0.00 H new ATOM 0 HB2 ALA A 79 16.966 7.223 -9.024 1.00 0.00 H new ATOM 0 HB3 ALA A 79 16.153 6.240 -7.783 1.00 0.00 H new ATOM 1226 N MET A 80 13.825 4.087 -9.938 1.00 0.00 N ATOM 1227 CA MET A 80 13.251 2.747 -10.043 1.00 0.00 C ATOM 1228 C MET A 80 13.761 2.080 -11.331 1.00 0.00 C ATOM 1229 O MET A 80 14.151 2.799 -12.263 1.00 0.00 O ATOM 1230 CB MET A 80 11.716 2.830 -10.102 1.00 0.00 C ATOM 1231 CG MET A 80 11.077 3.302 -8.791 1.00 0.00 C ATOM 1232 SD MET A 80 11.217 2.152 -7.392 1.00 0.00 S ATOM 1233 CE MET A 80 10.072 0.847 -7.925 1.00 0.00 C ATOM 0 H MET A 80 13.152 4.828 -10.134 1.00 0.00 H new ATOM 0 HA MET A 80 13.548 2.165 -9.171 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.428 3.511 -10.903 1.00 0.00 H new ATOM 0 HB3 MET A 80 11.317 1.849 -10.359 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.533 4.250 -8.506 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.020 3.498 -8.973 1.00 0.00 H new ATOM 0 HE1 MET A 80 9.932 0.132 -7.114 1.00 0.00 H new ATOM 0 HE2 MET A 80 9.111 1.291 -8.187 1.00 0.00 H new ATOM 0 HE3 MET A 80 10.484 0.334 -8.794 1.00 0.00 H new ATOM 1243 N PRO A 81 13.724 0.734 -11.415 1.00 0.00 N ATOM 1244 CA PRO A 81 13.940 -0.004 -12.656 1.00 0.00 C ATOM 1245 C PRO A 81 13.027 0.493 -13.781 1.00 0.00 C ATOM 1246 O PRO A 81 11.937 1.022 -13.529 1.00 0.00 O ATOM 1247 CB PRO A 81 13.648 -1.474 -12.327 1.00 0.00 C ATOM 1248 CG PRO A 81 13.908 -1.563 -10.827 1.00 0.00 C ATOM 1249 CD PRO A 81 13.457 -0.195 -10.324 1.00 0.00 C ATOM 0 HA PRO A 81 14.959 0.136 -13.016 1.00 0.00 H new ATOM 0 HB2 PRO A 81 12.621 -1.744 -12.573 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.297 -2.147 -12.887 1.00 0.00 H new ATOM 0 HG2 PRO A 81 13.340 -2.371 -10.365 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.960 -1.747 -10.609 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.398 -0.202 -10.066 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.002 0.091 -9.424 1.00 0.00 H new ATOM 1257 N LYS A 82 13.445 0.283 -15.032 1.00 0.00 N ATOM 1258 CA LYS A 82 12.730 0.745 -16.216 1.00 0.00 C ATOM 1259 C LYS A 82 12.757 -0.361 -17.262 1.00 0.00 C ATOM 1260 O LYS A 82 13.714 -1.138 -17.315 1.00 0.00 O ATOM 1261 CB LYS A 82 13.375 2.031 -16.767 1.00 0.00 C ATOM 1262 CG LYS A 82 13.325 3.197 -15.768 1.00 0.00 C ATOM 1263 CD LYS A 82 14.143 4.403 -16.243 1.00 0.00 C ATOM 1264 CE LYS A 82 14.137 5.520 -15.185 1.00 0.00 C ATOM 1265 NZ LYS A 82 14.882 5.159 -13.950 1.00 0.00 N ATOM 0 H LYS A 82 14.304 -0.221 -15.250 1.00 0.00 H new ATOM 0 HA LYS A 82 11.697 0.977 -15.957 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.413 1.828 -17.029 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.865 2.323 -17.685 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.289 3.500 -15.617 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.703 2.862 -14.802 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.168 4.095 -16.447 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.732 4.781 -17.179 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.574 6.421 -15.615 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.106 5.759 -14.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.827 5.944 -13.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.463 4.306 -13.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.878 4.975 -14.187 1.00 0.00 H new ATOM 1279 N VAL A 83 11.719 -0.428 -18.088 1.00 0.00 N ATOM 1280 CA VAL A 83 11.469 -1.498 -19.039 1.00 0.00 C ATOM 1281 C VAL A 83 10.853 -0.892 -20.305 1.00 0.00 C ATOM 1282 O VAL A 83 10.257 0.185 -20.251 1.00 0.00 O ATOM 1283 CB VAL A 83 10.533 -2.542 -18.390 1.00 0.00 C ATOM 1284 CG1 VAL A 83 11.313 -3.538 -17.521 1.00 0.00 C ATOM 1285 CG2 VAL A 83 9.403 -1.937 -17.539 1.00 0.00 C ATOM 0 H VAL A 83 10.999 0.294 -18.112 1.00 0.00 H new ATOM 0 HA VAL A 83 12.395 -2.003 -19.314 1.00 0.00 H new ATOM 0 HB VAL A 83 10.073 -3.051 -19.237 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.621 -4.257 -17.081 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.041 -4.065 -18.137 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.831 -3.000 -16.727 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.794 -2.738 -17.121 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.833 -1.348 -16.729 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.781 -1.296 -18.163 1.00 0.00 H new ATOM 1295 N LYS A 84 11.013 -1.558 -21.453 1.00 0.00 N ATOM 1296 CA LYS A 84 10.395 -1.129 -22.711 1.00 0.00 C ATOM 1297 C LYS A 84 8.883 -1.351 -22.626 1.00 0.00 C ATOM 1298 O LYS A 84 8.428 -2.274 -21.942 1.00 0.00 O ATOM 1299 CB LYS A 84 10.980 -1.918 -23.900 1.00 0.00 C ATOM 1300 CG LYS A 84 12.317 -1.387 -24.446 1.00 0.00 C ATOM 1301 CD LYS A 84 13.452 -1.305 -23.411 1.00 0.00 C ATOM 1302 CE LYS A 84 14.819 -0.970 -24.029 1.00 0.00 C ATOM 1303 NZ LYS A 84 14.823 0.318 -24.766 1.00 0.00 N ATOM 0 H LYS A 84 11.573 -2.407 -21.536 1.00 0.00 H new ATOM 0 HA LYS A 84 10.603 -0.071 -22.870 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.117 -2.955 -23.594 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.250 -1.918 -24.709 1.00 0.00 H new ATOM 0 HG2 LYS A 84 12.638 -2.029 -25.266 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.153 -0.394 -24.864 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.202 -0.548 -22.668 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.523 -2.257 -22.885 1.00 0.00 H new ATOM 0 HE2 LYS A 84 15.569 -0.932 -23.239 1.00 0.00 H new ATOM 0 HE3 LYS A 84 15.111 -1.771 -24.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.787 0.709 -24.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.502 0.160 -25.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.183 0.989 -24.295 1.00 0.00 H new ATOM 1317 N GLY A 85 8.121 -0.535 -23.356 1.00 0.00 N ATOM 1318 CA GLY A 85 6.682 -0.700 -23.517 1.00 0.00 C ATOM 1319 C GLY A 85 6.380 -2.066 -24.123 1.00 0.00 C ATOM 1320 O GLY A 85 5.465 -2.752 -23.624 1.00 0.00 O ATOM 1321 OXT GLY A 85 7.046 -2.445 -25.109 1.00 0.00 O ATOM 0 H GLY A 85 8.495 0.270 -23.858 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.186 -0.603 -22.551 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.287 0.087 -24.159 1.00 0.00 H new TER 1325 GLY A 85