USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 821 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 27 LYS NZ :NH3+ -175:sc= 0 (180deg=0) USER MOD Set 1.2: A 80 ASN : amide:sc= -3.86! K(o=-3.9!,f=-0.18) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -5.75! C(o=-5.8!,f=-3.8!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.0092 X(o=-0.0092,f=0) USER MOD Single : A 13 ASN : amide:sc= -4.34 K(o=-4.3,f=-8.5!) USER MOD Single : A 15 LYS NZ :NH3+ 152:sc= -0.0604 (180deg=-0.63) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -6.79! C(o=-6.8!,f=-4.7!) USER MOD Single : A 25 GLN : amide:sc= -0.396! K(o=-0.4!,f=-1.5) USER MOD Single : A 31 THR OG1 : rot 52:sc= 0.58 USER MOD Single : A 32 LYS NZ :NH3+ -159:sc= -0.419 (180deg=-1.37!) USER MOD Single : A 33 MET CE :methyl 164:sc= -0.125 (180deg=-0.732) USER MOD Single : A 41 GLN : amide:sc= -5.06! K(o=-5.1!,f=-3.4) USER MOD Single : A 42 LYS NZ :NH3+ -114:sc= 0.759 (180deg=-1.53!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.478 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.132) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.232 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 161:sc=-0.00432 (180deg=-0.269) USER MOD Single : A 63 HIS : no HD1:sc= -2.61 K(o=-2.6,f=-4.4!) USER MOD Single : A 71 GLN : amide:sc= -9.46! C(o=-9.5!,f=-14!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 141:sc= -0.0349 (180deg=-1.65!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.0114 X(o=-0.011,f=0) USER MOD Single : A 93 GLN : amide:sc= -5.83! K(o=-5.8!,f=-0.85) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 80:sc= 1.17 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 120:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -3.81! C(o=-3.8!,f=-2.3!) USER MOD Single : A 103 GLN : amide:sc= -11.6! C(o=-12!,f=-7.6!) USER MOD Single : A 104 LYS NZ :NH3+ 160:sc= 1.24 (180deg=0.862) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.885 5.447 10.687 1.00 0.00 N ATOM 2 CA ALA A 1 14.897 5.701 9.600 1.00 0.00 C ATOM 3 C ALA A 1 13.661 4.822 9.818 1.00 0.00 C ATOM 4 O ALA A 1 13.609 3.689 9.385 1.00 0.00 O ATOM 5 CB ALA A 1 15.541 5.379 8.243 1.00 0.00 C ATOM 0 H1 ALA A 1 16.724 6.043 10.540 1.00 0.00 H new ATOM 0 H2 ALA A 1 15.456 5.675 11.606 1.00 0.00 H new ATOM 0 H3 ALA A 1 16.165 4.446 10.674 1.00 0.00 H new ATOM 0 HA ALA A 1 14.595 6.748 9.613 1.00 0.00 H new ATOM 0 HB1 ALA A 1 14.821 5.564 7.446 1.00 0.00 H new ATOM 0 HB2 ALA A 1 16.416 6.012 8.096 1.00 0.00 H new ATOM 0 HB3 ALA A 1 15.844 4.332 8.223 1.00 0.00 H new ATOM 13 N ASP A 2 12.665 5.340 10.485 1.00 0.00 N ATOM 14 CA ASP A 2 11.431 4.537 10.737 1.00 0.00 C ATOM 15 C ASP A 2 10.486 4.677 9.545 1.00 0.00 C ATOM 16 O ASP A 2 9.594 3.876 9.346 1.00 0.00 O ATOM 17 CB ASP A 2 10.729 5.097 11.983 1.00 0.00 C ATOM 18 CG ASP A 2 11.233 4.384 13.241 1.00 0.00 C ATOM 19 OD1 ASP A 2 10.674 3.351 13.574 1.00 0.00 O ATOM 20 OD2 ASP A 2 12.170 4.879 13.847 1.00 0.00 O ATOM 0 H ASP A 2 12.651 6.286 10.867 1.00 0.00 H new ATOM 0 HA ASP A 2 11.694 3.489 10.882 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.916 6.168 12.064 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.651 4.968 11.891 1.00 0.00 H new ATOM 25 N LEU A 3 10.675 5.691 8.760 1.00 0.00 N ATOM 26 CA LEU A 3 9.789 5.903 7.580 1.00 0.00 C ATOM 27 C LEU A 3 10.352 5.125 6.394 1.00 0.00 C ATOM 28 O LEU A 3 9.663 4.357 5.753 1.00 0.00 O ATOM 29 CB LEU A 3 9.733 7.396 7.221 1.00 0.00 C ATOM 30 CG LEU A 3 9.414 8.245 8.461 1.00 0.00 C ATOM 31 CD1 LEU A 3 9.060 9.669 8.019 1.00 0.00 C ATOM 32 CD2 LEU A 3 8.227 7.641 9.227 1.00 0.00 C ATOM 0 H LEU A 3 11.408 6.390 8.881 1.00 0.00 H new ATOM 0 HA LEU A 3 8.783 5.556 7.818 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.687 7.708 6.797 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.974 7.562 6.456 1.00 0.00 H new ATOM 0 HG LEU A 3 10.286 8.263 9.115 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.833 10.276 8.895 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.904 10.105 7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.191 9.641 7.362 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.011 8.252 10.104 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.351 7.614 8.579 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.476 6.628 9.543 1.00 0.00 H new ATOM 44 N GLU A 4 11.611 5.310 6.112 1.00 0.00 N ATOM 45 CA GLU A 4 12.234 4.576 4.987 1.00 0.00 C ATOM 46 C GLU A 4 12.204 3.102 5.332 1.00 0.00 C ATOM 47 O GLU A 4 12.264 2.237 4.479 1.00 0.00 O ATOM 48 CB GLU A 4 13.686 5.026 4.823 1.00 0.00 C ATOM 49 CG GLU A 4 13.757 6.554 4.818 1.00 0.00 C ATOM 50 CD GLU A 4 15.176 6.998 4.458 1.00 0.00 C ATOM 51 OE1 GLU A 4 16.076 6.726 5.236 1.00 0.00 O ATOM 52 OE2 GLU A 4 15.339 7.601 3.410 1.00 0.00 O ATOM 0 H GLU A 4 12.234 5.941 6.616 1.00 0.00 H new ATOM 0 HA GLU A 4 11.697 4.770 4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.294 4.627 5.635 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.096 4.631 3.894 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.045 6.959 4.100 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.480 6.945 5.797 1.00 0.00 H new ATOM 59 N ASP A 5 12.114 2.817 6.595 1.00 0.00 N ATOM 60 CA ASP A 5 12.087 1.404 7.023 1.00 0.00 C ATOM 61 C ASP A 5 10.721 0.802 6.654 1.00 0.00 C ATOM 62 O ASP A 5 10.634 -0.294 6.139 1.00 0.00 O ATOM 63 CB ASP A 5 12.313 1.375 8.537 1.00 0.00 C ATOM 64 CG ASP A 5 11.761 0.084 9.156 1.00 0.00 C ATOM 65 OD1 ASP A 5 10.553 -0.021 9.281 1.00 0.00 O ATOM 66 OD2 ASP A 5 12.559 -0.775 9.498 1.00 0.00 O ATOM 0 H ASP A 5 12.058 3.503 7.347 1.00 0.00 H new ATOM 0 HA ASP A 5 12.862 0.817 6.530 1.00 0.00 H new ATOM 0 HB2 ASP A 5 13.379 1.457 8.750 1.00 0.00 H new ATOM 0 HB3 ASP A 5 11.829 2.237 8.996 1.00 0.00 H new ATOM 71 N ASN A 6 9.661 1.517 6.919 1.00 0.00 N ATOM 72 CA ASN A 6 8.305 0.996 6.592 1.00 0.00 C ATOM 73 C ASN A 6 8.274 0.623 5.099 1.00 0.00 C ATOM 74 O ASN A 6 7.762 -0.408 4.714 1.00 0.00 O ATOM 75 CB ASN A 6 7.258 2.088 6.936 1.00 0.00 C ATOM 76 CG ASN A 6 6.187 2.217 5.843 1.00 0.00 C ATOM 77 OD1 ASN A 6 5.022 1.956 6.076 1.00 0.00 O ATOM 78 ND2 ASN A 6 6.542 2.613 4.653 1.00 0.00 N ATOM 0 H ASN A 6 9.677 2.442 7.349 1.00 0.00 H new ATOM 0 HA ASN A 6 8.068 0.105 7.173 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.781 1.847 7.886 1.00 0.00 H new ATOM 0 HB3 ASN A 6 7.762 3.046 7.066 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.843 2.704 3.916 1.00 0.00 H new ATOM 0 HD22 ASN A 6 7.519 2.832 4.459 1.00 0.00 H new ATOM 85 N TRP A 7 8.815 1.472 4.264 1.00 0.00 N ATOM 86 CA TRP A 7 8.818 1.196 2.796 1.00 0.00 C ATOM 87 C TRP A 7 9.415 -0.183 2.538 1.00 0.00 C ATOM 88 O TRP A 7 8.856 -0.978 1.809 1.00 0.00 O ATOM 89 CB TRP A 7 9.651 2.272 2.069 1.00 0.00 C ATOM 90 CG TRP A 7 8.783 3.438 1.716 1.00 0.00 C ATOM 91 CD1 TRP A 7 8.364 4.386 2.585 1.00 0.00 C ATOM 92 CD2 TRP A 7 8.223 3.795 0.419 1.00 0.00 C ATOM 93 NE1 TRP A 7 7.581 5.301 1.906 1.00 0.00 N ATOM 94 CE2 TRP A 7 7.468 4.982 0.566 1.00 0.00 C ATOM 95 CE3 TRP A 7 8.299 3.211 -0.859 1.00 0.00 C ATOM 96 CZ2 TRP A 7 6.808 5.567 -0.514 1.00 0.00 C ATOM 97 CZ3 TRP A 7 7.636 3.799 -1.950 1.00 0.00 C ATOM 98 CH2 TRP A 7 6.893 4.975 -1.777 1.00 0.00 C ATOM 0 H TRP A 7 9.257 2.349 4.537 1.00 0.00 H new ATOM 0 HA TRP A 7 7.795 1.220 2.419 1.00 0.00 H new ATOM 0 HB2 TRP A 7 10.473 2.599 2.706 1.00 0.00 H new ATOM 0 HB3 TRP A 7 10.095 1.852 1.166 1.00 0.00 H new ATOM 0 HD1 TRP A 7 8.602 4.422 3.638 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.141 6.112 2.341 1.00 0.00 H new ATOM 0 HE3 TRP A 7 8.870 2.306 -1.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 6.235 6.472 -0.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 7.699 3.342 -2.927 1.00 0.00 H new ATOM 0 HH2 TRP A 7 6.387 5.423 -2.619 1.00 0.00 H new ATOM 109 N GLU A 8 10.537 -0.489 3.122 1.00 0.00 N ATOM 110 CA GLU A 8 11.122 -1.818 2.888 1.00 0.00 C ATOM 111 C GLU A 8 10.086 -2.868 3.274 1.00 0.00 C ATOM 112 O GLU A 8 10.002 -3.924 2.679 1.00 0.00 O ATOM 113 CB GLU A 8 12.371 -1.992 3.750 1.00 0.00 C ATOM 114 CG GLU A 8 13.131 -3.224 3.268 1.00 0.00 C ATOM 115 CD GLU A 8 14.104 -3.697 4.351 1.00 0.00 C ATOM 116 OE1 GLU A 8 13.642 -4.028 5.430 1.00 0.00 O ATOM 117 OE2 GLU A 8 15.292 -3.727 4.078 1.00 0.00 O ATOM 0 H GLU A 8 11.064 0.123 3.745 1.00 0.00 H new ATOM 0 HA GLU A 8 11.401 -1.926 1.840 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.004 -1.107 3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.094 -2.105 4.798 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.429 -4.022 3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.677 -2.990 2.354 1.00 0.00 H new ATOM 124 N THR A 9 9.279 -2.581 4.260 1.00 0.00 N ATOM 125 CA THR A 9 8.245 -3.566 4.658 1.00 0.00 C ATOM 126 C THR A 9 7.220 -3.665 3.537 1.00 0.00 C ATOM 127 O THR A 9 6.930 -4.734 3.039 1.00 0.00 O ATOM 128 CB THR A 9 7.565 -3.130 5.960 1.00 0.00 C ATOM 129 OG1 THR A 9 8.548 -2.668 6.875 1.00 0.00 O ATOM 130 CG2 THR A 9 6.810 -4.317 6.570 1.00 0.00 C ATOM 0 H THR A 9 9.294 -1.715 4.799 1.00 0.00 H new ATOM 0 HA THR A 9 8.707 -4.538 4.829 1.00 0.00 H new ATOM 0 HB THR A 9 6.860 -2.326 5.749 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.114 -2.387 7.707 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.327 -4.004 7.496 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.054 -4.667 5.867 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.511 -5.124 6.781 1.00 0.00 H new ATOM 138 N LEU A 10 6.694 -2.554 3.110 1.00 0.00 N ATOM 139 CA LEU A 10 5.716 -2.593 1.994 1.00 0.00 C ATOM 140 C LEU A 10 6.420 -3.226 0.799 1.00 0.00 C ATOM 141 O LEU A 10 5.849 -3.995 0.053 1.00 0.00 O ATOM 142 CB LEU A 10 5.285 -1.177 1.603 1.00 0.00 C ATOM 143 CG LEU A 10 4.684 -0.419 2.796 1.00 0.00 C ATOM 144 CD1 LEU A 10 4.017 0.861 2.284 1.00 0.00 C ATOM 145 CD2 LEU A 10 3.636 -1.283 3.508 1.00 0.00 C ATOM 0 H LEU A 10 6.898 -1.627 3.483 1.00 0.00 H new ATOM 0 HA LEU A 10 4.833 -3.157 2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.144 -0.628 1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.552 -1.228 0.798 1.00 0.00 H new ATOM 0 HG LEU A 10 5.478 -0.178 3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.587 1.408 3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.760 1.485 1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.229 0.603 1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.221 -0.730 4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.837 -1.535 2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.104 -2.198 3.870 1.00 0.00 H new ATOM 157 N ASN A 11 7.669 -2.900 0.616 1.00 0.00 N ATOM 158 CA ASN A 11 8.422 -3.489 -0.523 1.00 0.00 C ATOM 159 C ASN A 11 8.620 -4.984 -0.266 1.00 0.00 C ATOM 160 O ASN A 11 8.302 -5.818 -1.090 1.00 0.00 O ATOM 161 CB ASN A 11 9.784 -2.797 -0.677 1.00 0.00 C ATOM 162 CG ASN A 11 10.329 -3.059 -2.087 1.00 0.00 C ATOM 163 OD1 ASN A 11 11.280 -3.796 -2.257 1.00 0.00 O ATOM 164 ND2 ASN A 11 9.756 -2.482 -3.112 1.00 0.00 N ATOM 0 H ASN A 11 8.198 -2.255 1.203 1.00 0.00 H new ATOM 0 HA ASN A 11 7.858 -3.345 -1.445 1.00 0.00 H new ATOM 0 HB2 ASN A 11 9.681 -1.725 -0.508 1.00 0.00 H new ATOM 0 HB3 ASN A 11 10.482 -3.173 0.071 1.00 0.00 H new ATOM 0 HD21 ASN A 11 10.108 -2.651 -4.055 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.958 -1.863 -2.969 1.00 0.00 H new ATOM 171 N ASP A 12 9.150 -5.321 0.880 1.00 0.00 N ATOM 172 CA ASP A 12 9.384 -6.755 1.216 1.00 0.00 C ATOM 173 C ASP A 12 8.044 -7.505 1.238 1.00 0.00 C ATOM 174 O ASP A 12 8.002 -8.720 1.197 1.00 0.00 O ATOM 175 CB ASP A 12 10.062 -6.850 2.588 1.00 0.00 C ATOM 176 CG ASP A 12 10.086 -8.309 3.059 1.00 0.00 C ATOM 177 OD1 ASP A 12 10.982 -9.028 2.649 1.00 0.00 O ATOM 178 OD2 ASP A 12 9.205 -8.682 3.816 1.00 0.00 O ATOM 0 H ASP A 12 9.433 -4.659 1.603 1.00 0.00 H new ATOM 0 HA ASP A 12 10.030 -7.207 0.464 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.079 -6.461 2.529 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.527 -6.234 3.311 1.00 0.00 H new ATOM 183 N ASN A 13 6.951 -6.793 1.284 1.00 0.00 N ATOM 184 CA ASN A 13 5.626 -7.456 1.297 1.00 0.00 C ATOM 185 C ASN A 13 5.342 -7.966 -0.122 1.00 0.00 C ATOM 186 O ASN A 13 5.000 -9.109 -0.326 1.00 0.00 O ATOM 187 CB ASN A 13 4.556 -6.403 1.680 1.00 0.00 C ATOM 188 CG ASN A 13 4.000 -6.622 3.092 1.00 0.00 C ATOM 189 OD1 ASN A 13 3.890 -7.740 3.557 1.00 0.00 O ATOM 190 ND2 ASN A 13 3.649 -5.571 3.799 1.00 0.00 N ATOM 0 H ASN A 13 6.924 -5.774 1.313 1.00 0.00 H new ATOM 0 HA ASN A 13 5.607 -8.281 2.009 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.992 -5.406 1.615 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.738 -6.442 0.960 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.282 -5.691 4.743 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.744 -4.636 3.404 1.00 0.00 H new ATOM 197 N LEU A 14 5.469 -7.093 -1.087 1.00 0.00 N ATOM 198 CA LEU A 14 5.184 -7.454 -2.507 1.00 0.00 C ATOM 199 C LEU A 14 6.046 -8.625 -2.968 1.00 0.00 C ATOM 200 O LEU A 14 5.629 -9.428 -3.783 1.00 0.00 O ATOM 201 CB LEU A 14 5.499 -6.239 -3.383 1.00 0.00 C ATOM 202 CG LEU A 14 4.438 -5.141 -3.158 1.00 0.00 C ATOM 203 CD1 LEU A 14 5.056 -3.761 -3.410 1.00 0.00 C ATOM 204 CD2 LEU A 14 3.264 -5.351 -4.121 1.00 0.00 C ATOM 0 H LEU A 14 5.764 -6.127 -0.947 1.00 0.00 H new ATOM 0 HA LEU A 14 4.137 -7.746 -2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.490 -5.854 -3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.516 -6.531 -4.433 1.00 0.00 H new ATOM 0 HG LEU A 14 4.082 -5.198 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.302 -2.990 -3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.888 -3.604 -2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.418 -3.706 -4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.517 -4.574 -3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.623 -5.301 -5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.816 -6.328 -3.941 1.00 0.00 H new ATOM 216 N LYS A 15 7.239 -8.732 -2.474 1.00 0.00 N ATOM 217 CA LYS A 15 8.108 -9.851 -2.913 1.00 0.00 C ATOM 218 C LYS A 15 7.519 -11.157 -2.396 1.00 0.00 C ATOM 219 O LYS A 15 7.395 -12.116 -3.123 1.00 0.00 O ATOM 220 CB LYS A 15 9.518 -9.660 -2.340 1.00 0.00 C ATOM 221 CG LYS A 15 10.459 -10.808 -2.800 1.00 0.00 C ATOM 222 CD LYS A 15 11.486 -11.122 -1.695 1.00 0.00 C ATOM 223 CE LYS A 15 10.873 -12.086 -0.670 1.00 0.00 C ATOM 224 NZ LYS A 15 10.673 -13.420 -1.302 1.00 0.00 N ATOM 0 H LYS A 15 7.650 -8.098 -1.789 1.00 0.00 H new ATOM 0 HA LYS A 15 8.166 -9.874 -4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.921 -8.701 -2.665 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.473 -9.634 -1.251 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.874 -11.699 -3.028 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.975 -10.521 -3.717 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.381 -11.564 -2.133 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.795 -10.201 -1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.528 -12.177 0.197 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.921 -11.695 -0.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.723 -14.160 -0.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.741 -13.450 -1.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.415 -13.583 -2.012 1.00 0.00 H new ATOM 238 N VAL A 16 7.162 -11.208 -1.150 1.00 0.00 N ATOM 239 CA VAL A 16 6.602 -12.472 -0.605 1.00 0.00 C ATOM 240 C VAL A 16 5.386 -12.907 -1.444 1.00 0.00 C ATOM 241 O VAL A 16 5.059 -14.074 -1.499 1.00 0.00 O ATOM 242 CB VAL A 16 6.201 -12.264 0.864 1.00 0.00 C ATOM 243 CG1 VAL A 16 5.389 -13.463 1.356 1.00 0.00 C ATOM 244 CG2 VAL A 16 7.462 -12.138 1.727 1.00 0.00 C ATOM 0 H VAL A 16 7.232 -10.436 -0.487 1.00 0.00 H new ATOM 0 HA VAL A 16 7.355 -13.258 -0.655 1.00 0.00 H new ATOM 0 HB VAL A 16 5.602 -11.357 0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.108 -13.309 2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.490 -13.567 0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.990 -14.368 1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.177 -11.990 2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.056 -13.048 1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.051 -11.286 1.388 1.00 0.00 H new ATOM 254 N ILE A 17 4.715 -11.987 -2.096 1.00 0.00 N ATOM 255 CA ILE A 17 3.526 -12.381 -2.926 1.00 0.00 C ATOM 256 C ILE A 17 3.982 -13.135 -4.180 1.00 0.00 C ATOM 257 O ILE A 17 3.806 -14.335 -4.301 1.00 0.00 O ATOM 258 CB ILE A 17 2.740 -11.133 -3.344 1.00 0.00 C ATOM 259 CG1 ILE A 17 2.629 -10.197 -2.148 1.00 0.00 C ATOM 260 CG2 ILE A 17 1.342 -11.540 -3.817 1.00 0.00 C ATOM 261 CD1 ILE A 17 1.730 -9.005 -2.493 1.00 0.00 C ATOM 0 H ILE A 17 4.934 -10.991 -2.092 1.00 0.00 H new ATOM 0 HA ILE A 17 2.886 -13.030 -2.328 1.00 0.00 H new ATOM 0 HB ILE A 17 3.255 -10.626 -4.160 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.221 -10.735 -1.292 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.619 -9.844 -1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.785 -10.651 -4.114 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.428 -12.215 -4.668 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.816 -12.044 -3.006 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.658 -8.342 -1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.156 -8.460 -3.335 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.736 -9.364 -2.759 1.00 0.00 H new ATOM 273 N GLU A 18 4.561 -12.444 -5.124 1.00 0.00 N ATOM 274 CA GLU A 18 5.020 -13.120 -6.373 1.00 0.00 C ATOM 275 C GLU A 18 5.779 -14.389 -6.006 1.00 0.00 C ATOM 276 O GLU A 18 5.820 -15.341 -6.760 1.00 0.00 O ATOM 277 CB GLU A 18 5.924 -12.163 -7.170 1.00 0.00 C ATOM 278 CG GLU A 18 5.501 -10.713 -6.890 1.00 0.00 C ATOM 279 CD GLU A 18 5.908 -9.814 -8.063 1.00 0.00 C ATOM 280 OE1 GLU A 18 6.776 -10.218 -8.820 1.00 0.00 O ATOM 281 OE2 GLU A 18 5.342 -8.741 -8.186 1.00 0.00 O ATOM 0 H GLU A 18 4.737 -11.440 -5.085 1.00 0.00 H new ATOM 0 HA GLU A 18 4.162 -13.387 -6.990 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.967 -12.310 -6.889 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.848 -12.376 -8.236 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.423 -10.662 -6.739 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.968 -10.360 -5.971 1.00 0.00 H new ATOM 288 N LYS A 19 6.373 -14.404 -4.842 1.00 0.00 N ATOM 289 CA LYS A 19 7.131 -15.612 -4.394 1.00 0.00 C ATOM 290 C LYS A 19 6.274 -16.422 -3.405 1.00 0.00 C ATOM 291 O LYS A 19 6.653 -17.499 -2.991 1.00 0.00 O ATOM 292 CB LYS A 19 8.465 -15.165 -3.739 1.00 0.00 C ATOM 293 CG LYS A 19 9.634 -15.395 -4.705 1.00 0.00 C ATOM 294 CD LYS A 19 9.496 -14.477 -5.937 1.00 0.00 C ATOM 295 CE LYS A 19 9.996 -13.055 -5.630 1.00 0.00 C ATOM 296 NZ LYS A 19 10.429 -12.412 -6.904 1.00 0.00 N ATOM 0 H LYS A 19 6.366 -13.629 -4.179 1.00 0.00 H new ATOM 0 HA LYS A 19 7.359 -16.249 -5.249 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.410 -14.111 -3.468 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.631 -15.723 -2.817 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.578 -15.196 -4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.655 -16.438 -5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.064 -14.893 -6.769 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.453 -14.439 -6.250 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.205 -12.470 -5.162 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.826 -13.091 -4.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.769 -11.449 -6.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.195 -12.970 -7.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.624 -12.368 -7.562 1.00 0.00 H new ATOM 310 N ALA A 20 5.111 -15.936 -3.045 1.00 0.00 N ATOM 311 CA ALA A 20 4.244 -16.717 -2.112 1.00 0.00 C ATOM 312 C ALA A 20 3.985 -18.080 -2.747 1.00 0.00 C ATOM 313 O ALA A 20 4.242 -19.109 -2.163 1.00 0.00 O ATOM 314 CB ALA A 20 2.907 -15.996 -1.884 1.00 0.00 C ATOM 0 H ALA A 20 4.729 -15.042 -3.353 1.00 0.00 H new ATOM 0 HA ALA A 20 4.741 -16.824 -1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.290 -16.581 -1.202 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.093 -15.012 -1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.388 -15.882 -2.836 1.00 0.00 H new ATOM 320 N ASP A 21 3.488 -18.066 -3.951 1.00 0.00 N ATOM 321 CA ASP A 21 3.205 -19.331 -4.697 1.00 0.00 C ATOM 322 C ASP A 21 2.081 -20.151 -4.037 1.00 0.00 C ATOM 323 O ASP A 21 1.690 -21.178 -4.555 1.00 0.00 O ATOM 324 CB ASP A 21 4.483 -20.167 -4.814 1.00 0.00 C ATOM 325 CG ASP A 21 5.604 -19.296 -5.386 1.00 0.00 C ATOM 326 OD1 ASP A 21 5.371 -18.655 -6.399 1.00 0.00 O ATOM 327 OD2 ASP A 21 6.674 -19.283 -4.802 1.00 0.00 O ATOM 0 H ASP A 21 3.260 -17.214 -4.463 1.00 0.00 H new ATOM 0 HA ASP A 21 2.861 -19.058 -5.695 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.770 -20.554 -3.836 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.310 -21.028 -5.459 1.00 0.00 H new ATOM 332 N ASN A 22 1.521 -19.702 -2.936 1.00 0.00 N ATOM 333 CA ASN A 22 0.385 -20.466 -2.313 1.00 0.00 C ATOM 334 C ASN A 22 -0.609 -19.480 -1.705 1.00 0.00 C ATOM 335 O ASN A 22 -0.236 -18.471 -1.151 1.00 0.00 O ATOM 336 CB ASN A 22 0.861 -21.422 -1.212 1.00 0.00 C ATOM 337 CG ASN A 22 2.191 -22.021 -1.606 1.00 0.00 C ATOM 338 OD1 ASN A 22 2.338 -23.223 -1.708 1.00 0.00 O ATOM 339 ND2 ASN A 22 3.171 -21.220 -1.837 1.00 0.00 N ATOM 0 H ASN A 22 1.796 -18.851 -2.446 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.079 -21.061 -3.100 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.957 -20.887 -0.267 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.126 -22.212 -1.058 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.081 -21.592 -2.108 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.038 -20.213 -1.749 1.00 0.00 H new ATOM 346 N ALA A 23 -1.866 -19.774 -1.805 1.00 0.00 N ATOM 347 CA ALA A 23 -2.898 -18.862 -1.243 1.00 0.00 C ATOM 348 C ALA A 23 -2.647 -18.609 0.246 1.00 0.00 C ATOM 349 O ALA A 23 -3.153 -17.661 0.801 1.00 0.00 O ATOM 350 CB ALA A 23 -4.276 -19.493 -1.431 1.00 0.00 C ATOM 0 H ALA A 23 -2.231 -20.613 -2.255 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.849 -17.907 -1.766 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.039 -18.830 -1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.463 -19.649 -2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.311 -20.451 -0.912 1.00 0.00 H new ATOM 356 N ALA A 24 -1.892 -19.449 0.898 1.00 0.00 N ATOM 357 CA ALA A 24 -1.641 -19.246 2.357 1.00 0.00 C ATOM 358 C ALA A 24 -0.717 -18.041 2.596 1.00 0.00 C ATOM 359 O ALA A 24 -1.059 -17.112 3.300 1.00 0.00 O ATOM 360 CB ALA A 24 -0.977 -20.500 2.934 1.00 0.00 C ATOM 0 H ALA A 24 -1.438 -20.265 0.488 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.596 -19.058 2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.792 -20.357 3.999 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.634 -21.358 2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.031 -20.679 2.422 1.00 0.00 H new ATOM 366 N GLN A 25 0.465 -18.075 2.045 1.00 0.00 N ATOM 367 CA GLN A 25 1.445 -16.973 2.259 1.00 0.00 C ATOM 368 C GLN A 25 0.937 -15.653 1.665 1.00 0.00 C ATOM 369 O GLN A 25 1.419 -14.589 2.004 1.00 0.00 O ATOM 370 CB GLN A 25 2.776 -17.359 1.599 1.00 0.00 C ATOM 371 CG GLN A 25 2.966 -18.877 1.675 1.00 0.00 C ATOM 372 CD GLN A 25 4.424 -19.230 1.400 1.00 0.00 C ATOM 373 OE1 GLN A 25 5.180 -19.507 2.309 1.00 0.00 O ATOM 374 NE2 GLN A 25 4.845 -19.231 0.169 1.00 0.00 N ATOM 0 H GLN A 25 0.798 -18.831 1.447 1.00 0.00 H new ATOM 0 HA GLN A 25 1.581 -16.827 3.331 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.786 -17.033 0.559 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.602 -16.853 2.100 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.674 -19.240 2.660 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.320 -19.370 0.949 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.204 -18.997 -0.589 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.816 -19.466 -0.038 1.00 0.00 H new ATOM 383 N VAL A 26 -0.026 -15.702 0.793 1.00 0.00 N ATOM 384 CA VAL A 26 -0.539 -14.427 0.208 1.00 0.00 C ATOM 385 C VAL A 26 -1.308 -13.674 1.289 1.00 0.00 C ATOM 386 O VAL A 26 -1.092 -12.496 1.493 1.00 0.00 O ATOM 387 CB VAL A 26 -1.467 -14.687 -0.989 1.00 0.00 C ATOM 388 CG1 VAL A 26 -1.935 -13.348 -1.596 1.00 0.00 C ATOM 389 CG2 VAL A 26 -0.717 -15.477 -2.070 1.00 0.00 C ATOM 0 H VAL A 26 -0.478 -16.554 0.461 1.00 0.00 H new ATOM 0 HA VAL A 26 0.308 -13.841 -0.148 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.328 -15.257 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.592 -13.543 -2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.475 -12.776 -0.842 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.069 -12.778 -1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.381 -15.658 -2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.148 -14.905 -2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.385 -16.431 -1.659 1.00 0.00 H new ATOM 399 N LYS A 27 -2.198 -14.320 2.003 1.00 0.00 N ATOM 400 CA LYS A 27 -2.925 -13.577 3.061 1.00 0.00 C ATOM 401 C LYS A 27 -1.882 -12.986 3.983 1.00 0.00 C ATOM 402 O LYS A 27 -1.867 -11.811 4.285 1.00 0.00 O ATOM 403 CB LYS A 27 -3.790 -14.522 3.899 1.00 0.00 C ATOM 404 CG LYS A 27 -4.898 -15.194 3.043 1.00 0.00 C ATOM 405 CD LYS A 27 -4.766 -16.724 3.132 1.00 0.00 C ATOM 406 CE LYS A 27 -5.104 -17.213 4.550 1.00 0.00 C ATOM 407 NZ LYS A 27 -5.730 -18.565 4.466 1.00 0.00 N ATOM 0 H LYS A 27 -2.444 -15.305 1.899 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.563 -12.822 2.601 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.160 -15.290 4.348 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.248 -13.967 4.717 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.882 -14.883 3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.815 -14.872 2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.433 -17.195 2.410 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.751 -17.023 2.870 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.201 -17.254 5.158 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.784 -16.514 5.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.038 -18.865 5.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.552 -18.528 3.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.037 -19.246 4.096 1.00 0.00 H new ATOM 421 N ASP A 28 -1.001 -13.829 4.422 1.00 0.00 N ATOM 422 CA ASP A 28 0.074 -13.395 5.337 1.00 0.00 C ATOM 423 C ASP A 28 0.807 -12.194 4.740 1.00 0.00 C ATOM 424 O ASP A 28 1.204 -11.283 5.439 1.00 0.00 O ATOM 425 CB ASP A 28 1.063 -14.549 5.500 1.00 0.00 C ATOM 426 CG ASP A 28 0.316 -15.797 5.973 1.00 0.00 C ATOM 427 OD1 ASP A 28 -0.900 -15.811 5.861 1.00 0.00 O ATOM 428 OD2 ASP A 28 0.969 -16.714 6.437 1.00 0.00 O ATOM 0 H ASP A 28 -0.982 -14.820 4.179 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.351 -13.114 6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.564 -14.749 4.553 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.836 -14.280 6.220 1.00 0.00 H new ATOM 433 N ALA A 29 0.999 -12.197 3.451 1.00 0.00 N ATOM 434 CA ALA A 29 1.720 -11.065 2.812 1.00 0.00 C ATOM 435 C ALA A 29 0.868 -9.794 2.883 1.00 0.00 C ATOM 436 O ALA A 29 1.239 -8.822 3.507 1.00 0.00 O ATOM 437 CB ALA A 29 2.011 -11.396 1.346 1.00 0.00 C ATOM 0 H ALA A 29 0.689 -12.932 2.815 1.00 0.00 H new ATOM 0 HA ALA A 29 2.658 -10.902 3.343 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.539 -10.563 0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.628 -12.293 1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.073 -11.569 0.819 1.00 0.00 H new ATOM 443 N LEU A 30 -0.264 -9.790 2.230 1.00 0.00 N ATOM 444 CA LEU A 30 -1.122 -8.572 2.246 1.00 0.00 C ATOM 445 C LEU A 30 -1.554 -8.250 3.681 1.00 0.00 C ATOM 446 O LEU A 30 -1.846 -7.116 4.007 1.00 0.00 O ATOM 447 CB LEU A 30 -2.360 -8.797 1.368 1.00 0.00 C ATOM 448 CG LEU A 30 -1.969 -8.741 -0.128 1.00 0.00 C ATOM 449 CD1 LEU A 30 -2.981 -9.540 -0.962 1.00 0.00 C ATOM 450 CD2 LEU A 30 -1.960 -7.281 -0.619 1.00 0.00 C ATOM 0 H LEU A 30 -0.629 -10.574 1.689 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.550 -7.732 1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.808 -9.763 1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.111 -8.038 1.584 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.974 -9.171 -0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.700 -9.497 -2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.987 -10.578 -0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.976 -9.113 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.684 -7.253 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.953 -6.849 -0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.238 -6.707 -0.039 1.00 0.00 H new ATOM 462 N THR A 31 -1.579 -9.226 4.546 1.00 0.00 N ATOM 463 CA THR A 31 -1.971 -8.952 5.959 1.00 0.00 C ATOM 464 C THR A 31 -0.992 -7.936 6.526 1.00 0.00 C ATOM 465 O THR A 31 -1.351 -7.023 7.241 1.00 0.00 O ATOM 466 CB THR A 31 -1.853 -10.235 6.782 1.00 0.00 C ATOM 467 OG1 THR A 31 -2.793 -11.191 6.312 1.00 0.00 O ATOM 468 CG2 THR A 31 -2.135 -9.930 8.253 1.00 0.00 C ATOM 0 H THR A 31 -1.346 -10.197 4.338 1.00 0.00 H new ATOM 0 HA THR A 31 -2.996 -8.583 5.997 1.00 0.00 H new ATOM 0 HB THR A 31 -0.844 -10.635 6.680 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.697 -11.295 5.342 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.050 -10.846 8.837 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.414 -9.199 8.618 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.143 -9.527 8.354 1.00 0.00 H new ATOM 476 N LYS A 32 0.252 -8.111 6.203 1.00 0.00 N ATOM 477 CA LYS A 32 1.301 -7.194 6.696 1.00 0.00 C ATOM 478 C LYS A 32 1.190 -5.851 5.960 1.00 0.00 C ATOM 479 O LYS A 32 1.466 -4.807 6.515 1.00 0.00 O ATOM 480 CB LYS A 32 2.656 -7.849 6.417 1.00 0.00 C ATOM 481 CG LYS A 32 2.946 -8.925 7.477 1.00 0.00 C ATOM 482 CD LYS A 32 4.359 -9.541 7.261 1.00 0.00 C ATOM 483 CE LYS A 32 5.311 -9.116 8.388 1.00 0.00 C ATOM 484 NZ LYS A 32 5.165 -7.656 8.646 1.00 0.00 N ATOM 0 H LYS A 32 0.591 -8.866 5.607 1.00 0.00 H new ATOM 0 HA LYS A 32 1.190 -7.008 7.764 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.656 -8.296 5.423 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.443 -7.095 6.427 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.883 -8.488 8.473 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.190 -9.708 7.424 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.287 -10.628 7.229 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.759 -9.220 6.299 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.090 -9.679 9.295 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.341 -9.345 8.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.017 -7.301 9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.042 -7.155 7.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.334 -7.491 9.249 1.00 0.00 H new ATOM 498 N MET A 33 0.766 -5.865 4.718 1.00 0.00 N ATOM 499 CA MET A 33 0.616 -4.583 3.963 1.00 0.00 C ATOM 500 C MET A 33 -0.507 -3.772 4.586 1.00 0.00 C ATOM 501 O MET A 33 -0.299 -2.730 5.173 1.00 0.00 O ATOM 502 CB MET A 33 0.222 -4.870 2.521 1.00 0.00 C ATOM 503 CG MET A 33 1.385 -5.524 1.784 1.00 0.00 C ATOM 504 SD MET A 33 1.011 -5.593 0.011 1.00 0.00 S ATOM 505 CE MET A 33 1.858 -4.068 -0.478 1.00 0.00 C ATOM 0 H MET A 33 0.518 -6.706 4.197 1.00 0.00 H new ATOM 0 HA MET A 33 1.562 -4.043 3.997 1.00 0.00 H new ATOM 0 HB2 MET A 33 -0.649 -5.525 2.497 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.061 -3.944 2.021 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.301 -4.958 1.952 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.556 -6.529 2.170 1.00 0.00 H new ATOM 0 HE1 MET A 33 1.998 -4.060 -1.559 1.00 0.00 H new ATOM 0 HE2 MET A 33 1.257 -3.208 -0.183 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.830 -4.018 0.014 1.00 0.00 H new ATOM 515 N ARG A 34 -1.710 -4.262 4.447 1.00 0.00 N ATOM 516 CA ARG A 34 -2.889 -3.549 5.010 1.00 0.00 C ATOM 517 C ARG A 34 -2.552 -3.113 6.433 1.00 0.00 C ATOM 518 O ARG A 34 -3.063 -2.134 6.939 1.00 0.00 O ATOM 519 CB ARG A 34 -4.103 -4.501 5.011 1.00 0.00 C ATOM 520 CG ARG A 34 -5.429 -3.718 5.228 1.00 0.00 C ATOM 521 CD ARG A 34 -6.579 -4.334 4.407 1.00 0.00 C ATOM 522 NE ARG A 34 -7.700 -3.361 4.330 1.00 0.00 N ATOM 523 CZ ARG A 34 -8.543 -3.255 5.321 1.00 0.00 C ATOM 524 NH1 ARG A 34 -8.360 -3.964 6.400 1.00 0.00 N ATOM 525 NH2 ARG A 34 -9.561 -2.442 5.238 1.00 0.00 N ATOM 0 H ARG A 34 -1.926 -5.133 3.963 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.133 -2.673 4.410 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.147 -5.041 4.065 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.984 -5.246 5.798 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.690 -3.725 6.286 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.291 -2.676 4.940 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.232 -4.587 3.405 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.917 -5.261 4.871 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.811 -2.776 3.502 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.562 -4.596 6.466 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.015 -3.886 7.178 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.701 -1.885 4.395 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.216 -2.364 6.016 1.00 0.00 H new ATOM 539 N ALA A 35 -1.663 -3.821 7.066 1.00 0.00 N ATOM 540 CA ALA A 35 -1.256 -3.436 8.444 1.00 0.00 C ATOM 541 C ALA A 35 -0.344 -2.206 8.366 1.00 0.00 C ATOM 542 O ALA A 35 -0.693 -1.130 8.817 1.00 0.00 O ATOM 543 CB ALA A 35 -0.505 -4.591 9.107 1.00 0.00 C ATOM 0 H ALA A 35 -1.201 -4.649 6.690 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.141 -3.205 9.036 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.210 -4.302 10.116 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.153 -5.466 9.155 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.384 -4.830 8.523 1.00 0.00 H new ATOM 549 N ALA A 36 0.826 -2.354 7.794 1.00 0.00 N ATOM 550 CA ALA A 36 1.752 -1.187 7.695 1.00 0.00 C ATOM 551 C ALA A 36 1.139 -0.113 6.792 1.00 0.00 C ATOM 552 O ALA A 36 1.418 1.061 6.940 1.00 0.00 O ATOM 553 CB ALA A 36 3.097 -1.646 7.119 1.00 0.00 C ATOM 0 H ALA A 36 1.176 -3.225 7.395 1.00 0.00 H new ATOM 0 HA ALA A 36 1.911 -0.768 8.689 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.772 -0.793 7.047 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.534 -2.401 7.773 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.942 -2.071 6.127 1.00 0.00 H new ATOM 559 N ALA A 37 0.308 -0.494 5.862 1.00 0.00 N ATOM 560 CA ALA A 37 -0.311 0.525 4.972 1.00 0.00 C ATOM 561 C ALA A 37 -1.067 1.529 5.841 1.00 0.00 C ATOM 562 O ALA A 37 -1.002 2.727 5.632 1.00 0.00 O ATOM 563 CB ALA A 37 -1.276 -0.155 3.997 1.00 0.00 C ATOM 0 H ALA A 37 0.033 -1.459 5.681 1.00 0.00 H new ATOM 0 HA ALA A 37 0.459 1.038 4.396 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.726 0.596 3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.731 -0.879 3.391 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.059 -0.667 4.557 1.00 0.00 H new ATOM 569 N LEU A 38 -1.769 1.051 6.832 1.00 0.00 N ATOM 570 CA LEU A 38 -2.512 1.979 7.727 1.00 0.00 C ATOM 571 C LEU A 38 -1.502 2.833 8.489 1.00 0.00 C ATOM 572 O LEU A 38 -1.769 3.966 8.835 1.00 0.00 O ATOM 573 CB LEU A 38 -3.349 1.175 8.726 1.00 0.00 C ATOM 574 CG LEU A 38 -4.437 0.377 7.982 1.00 0.00 C ATOM 575 CD1 LEU A 38 -4.908 -0.789 8.857 1.00 0.00 C ATOM 576 CD2 LEU A 38 -5.641 1.277 7.663 1.00 0.00 C ATOM 0 H LEU A 38 -1.859 0.061 7.059 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.173 2.613 7.135 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.707 0.495 9.286 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.810 1.847 9.450 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.014 0.000 7.051 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.678 -1.352 8.329 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.064 -1.444 9.075 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.318 -0.402 9.790 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.400 0.697 7.138 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.060 1.667 8.591 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.318 2.107 7.034 1.00 0.00 H new ATOM 588 N ASP A 39 -0.335 2.303 8.749 1.00 0.00 N ATOM 589 CA ASP A 39 0.687 3.100 9.481 1.00 0.00 C ATOM 590 C ASP A 39 1.413 4.009 8.491 1.00 0.00 C ATOM 591 O ASP A 39 1.763 5.129 8.806 1.00 0.00 O ATOM 592 CB ASP A 39 1.693 2.161 10.148 1.00 0.00 C ATOM 593 CG ASP A 39 2.824 2.981 10.771 1.00 0.00 C ATOM 594 OD1 ASP A 39 3.660 3.464 10.024 1.00 0.00 O ATOM 595 OD2 ASP A 39 2.837 3.113 11.984 1.00 0.00 O ATOM 0 H ASP A 39 -0.049 1.359 8.487 1.00 0.00 H new ATOM 0 HA ASP A 39 0.201 3.704 10.247 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.197 1.565 10.914 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.097 1.464 9.414 1.00 0.00 H new ATOM 600 N ALA A 40 1.630 3.546 7.290 1.00 0.00 N ATOM 601 CA ALA A 40 2.319 4.401 6.287 1.00 0.00 C ATOM 602 C ALA A 40 1.569 5.731 6.193 1.00 0.00 C ATOM 603 O ALA A 40 2.127 6.754 5.857 1.00 0.00 O ATOM 604 CB ALA A 40 2.314 3.700 4.927 1.00 0.00 C ATOM 0 H ALA A 40 1.361 2.618 6.963 1.00 0.00 H new ATOM 0 HA ALA A 40 3.352 4.578 6.585 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.819 4.327 4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.834 2.745 5.008 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.285 3.527 4.610 1.00 0.00 H new ATOM 610 N GLN A 41 0.301 5.713 6.509 1.00 0.00 N ATOM 611 CA GLN A 41 -0.512 6.957 6.463 1.00 0.00 C ATOM 612 C GLN A 41 0.185 8.063 7.269 1.00 0.00 C ATOM 613 O GLN A 41 0.297 9.188 6.825 1.00 0.00 O ATOM 614 CB GLN A 41 -1.891 6.664 7.071 1.00 0.00 C ATOM 615 CG GLN A 41 -2.726 7.961 7.164 1.00 0.00 C ATOM 616 CD GLN A 41 -2.570 8.587 8.553 1.00 0.00 C ATOM 617 OE1 GLN A 41 -3.319 8.277 9.458 1.00 0.00 O ATOM 618 NE2 GLN A 41 -1.622 9.456 8.760 1.00 0.00 N ATOM 0 H GLN A 41 -0.209 4.879 6.800 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.623 7.290 5.431 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.416 5.929 6.461 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.773 6.228 8.063 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.402 8.667 6.400 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.776 7.742 6.971 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.993 9.716 8.000 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.508 9.877 9.682 1.00 0.00 H new ATOM 627 N LYS A 42 0.649 7.753 8.451 1.00 0.00 N ATOM 628 CA LYS A 42 1.332 8.792 9.282 1.00 0.00 C ATOM 629 C LYS A 42 2.666 9.186 8.640 1.00 0.00 C ATOM 630 O LYS A 42 3.415 9.968 9.189 1.00 0.00 O ATOM 631 CB LYS A 42 1.615 8.246 10.686 1.00 0.00 C ATOM 632 CG LYS A 42 0.306 8.055 11.470 1.00 0.00 C ATOM 633 CD LYS A 42 -0.491 6.835 10.940 1.00 0.00 C ATOM 634 CE LYS A 42 -1.154 6.088 12.106 1.00 0.00 C ATOM 635 NZ LYS A 42 -1.861 4.880 11.589 1.00 0.00 N ATOM 0 H LYS A 42 0.586 6.829 8.877 1.00 0.00 H new ATOM 0 HA LYS A 42 0.677 9.661 9.346 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.142 7.295 10.612 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.269 8.932 11.223 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.529 7.915 12.528 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.304 8.955 11.389 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.251 7.167 10.232 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.176 6.163 10.400 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.402 5.796 12.839 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.859 6.744 12.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.886 4.992 11.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.658 4.766 10.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.533 4.039 12.105 1.00 0.00 H new ATOM 649 N ALA A 43 2.975 8.662 7.485 1.00 0.00 N ATOM 650 CA ALA A 43 4.267 9.026 6.833 1.00 0.00 C ATOM 651 C ALA A 43 4.114 10.370 6.122 1.00 0.00 C ATOM 652 O ALA A 43 3.075 10.675 5.572 1.00 0.00 O ATOM 653 CB ALA A 43 4.654 7.952 5.814 1.00 0.00 C ATOM 0 H ALA A 43 2.394 8.002 6.967 1.00 0.00 H new ATOM 0 HA ALA A 43 5.046 9.098 7.592 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.598 8.223 5.341 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.764 6.993 6.320 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.876 7.874 5.054 1.00 0.00 H new ATOM 659 N THR A 44 5.143 11.176 6.118 1.00 0.00 N ATOM 660 CA THR A 44 5.048 12.495 5.431 1.00 0.00 C ATOM 661 C THR A 44 6.442 12.959 4.996 1.00 0.00 C ATOM 662 O THR A 44 6.965 13.933 5.500 1.00 0.00 O ATOM 663 CB THR A 44 4.434 13.529 6.387 1.00 0.00 C ATOM 664 OG1 THR A 44 3.395 12.917 7.136 1.00 0.00 O ATOM 665 CG2 THR A 44 3.863 14.703 5.585 1.00 0.00 C ATOM 0 H THR A 44 6.041 10.978 6.559 1.00 0.00 H new ATOM 0 HA THR A 44 4.415 12.395 4.549 1.00 0.00 H new ATOM 0 HB THR A 44 5.205 13.899 7.063 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.002 13.574 7.748 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.429 15.433 6.268 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.661 15.173 5.010 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.092 14.339 4.905 1.00 0.00 H new ATOM 673 N PRO A 45 7.031 12.271 4.048 1.00 0.00 N ATOM 674 CA PRO A 45 8.379 12.632 3.521 1.00 0.00 C ATOM 675 C PRO A 45 8.463 14.078 2.979 1.00 0.00 C ATOM 676 O PRO A 45 9.436 14.761 3.227 1.00 0.00 O ATOM 677 CB PRO A 45 8.653 11.603 2.400 1.00 0.00 C ATOM 678 CG PRO A 45 7.667 10.487 2.612 1.00 0.00 C ATOM 679 CD PRO A 45 6.479 11.071 3.390 1.00 0.00 C ATOM 0 HA PRO A 45 9.121 12.602 4.319 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.526 12.055 1.416 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.677 11.234 2.451 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.338 10.078 1.657 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.126 9.669 3.167 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.654 11.326 2.725 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.092 10.359 4.119 1.00 0.00 H new ATOM 687 N PRO A 46 7.474 14.553 2.239 1.00 0.00 N ATOM 688 CA PRO A 46 7.503 15.935 1.672 1.00 0.00 C ATOM 689 C PRO A 46 7.026 16.986 2.681 1.00 0.00 C ATOM 690 O PRO A 46 7.211 18.166 2.478 1.00 0.00 O ATOM 691 CB PRO A 46 6.538 15.837 0.491 1.00 0.00 C ATOM 692 CG PRO A 46 5.499 14.868 0.950 1.00 0.00 C ATOM 693 CD PRO A 46 6.226 13.855 1.849 1.00 0.00 C ATOM 0 HA PRO A 46 8.508 16.252 1.395 1.00 0.00 H new ATOM 0 HB2 PRO A 46 6.101 16.806 0.252 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.043 15.484 -0.408 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.707 15.377 1.499 1.00 0.00 H new ATOM 0 HG3 PRO A 46 5.030 14.369 0.102 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.626 13.592 2.721 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.437 12.928 1.316 1.00 0.00 H new ATOM 701 N LYS A 47 6.405 16.549 3.748 1.00 0.00 N ATOM 702 CA LYS A 47 5.890 17.483 4.800 1.00 0.00 C ATOM 703 C LYS A 47 4.640 18.193 4.285 1.00 0.00 C ATOM 704 O LYS A 47 4.698 19.018 3.395 1.00 0.00 O ATOM 705 CB LYS A 47 6.950 18.515 5.219 1.00 0.00 C ATOM 706 CG LYS A 47 8.256 17.800 5.585 1.00 0.00 C ATOM 707 CD LYS A 47 9.418 18.804 5.603 1.00 0.00 C ATOM 708 CE LYS A 47 9.121 19.960 6.575 1.00 0.00 C ATOM 709 NZ LYS A 47 10.398 20.425 7.188 1.00 0.00 N ATOM 0 H LYS A 47 6.229 15.563 3.939 1.00 0.00 H new ATOM 0 HA LYS A 47 5.643 16.893 5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.126 19.219 4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.591 19.094 6.070 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.159 17.326 6.562 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.460 17.008 4.865 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.337 18.299 5.900 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.581 19.198 4.600 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.638 20.781 6.046 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.430 19.630 7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.203 21.206 7.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.841 19.639 7.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.042 20.754 6.441 1.00 0.00 H new ATOM 723 N LEU A 48 3.504 17.860 4.836 1.00 0.00 N ATOM 724 CA LEU A 48 2.231 18.483 4.388 1.00 0.00 C ATOM 725 C LEU A 48 1.992 19.783 5.157 1.00 0.00 C ATOM 726 O LEU A 48 1.679 20.805 4.580 1.00 0.00 O ATOM 727 CB LEU A 48 1.082 17.490 4.662 1.00 0.00 C ATOM 728 CG LEU A 48 0.014 17.600 3.575 1.00 0.00 C ATOM 729 CD1 LEU A 48 -0.963 16.430 3.704 1.00 0.00 C ATOM 730 CD2 LEU A 48 -0.745 18.921 3.722 1.00 0.00 C ATOM 0 H LEU A 48 3.406 17.175 5.585 1.00 0.00 H new ATOM 0 HA LEU A 48 2.279 18.713 3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.472 16.473 4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.640 17.695 5.637 1.00 0.00 H new ATOM 0 HG LEU A 48 0.492 17.571 2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.726 16.506 2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.423 15.490 3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.437 16.459 4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.505 18.993 2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.223 18.959 4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.048 19.754 3.626 1.00 0.00 H new ATOM 742 N GLU A 49 2.129 19.757 6.450 1.00 0.00 N ATOM 743 CA GLU A 49 1.901 20.998 7.236 1.00 0.00 C ATOM 744 C GLU A 49 3.006 22.005 6.925 1.00 0.00 C ATOM 745 O GLU A 49 3.502 22.685 7.802 1.00 0.00 O ATOM 746 CB GLU A 49 1.907 20.671 8.734 1.00 0.00 C ATOM 747 CG GLU A 49 0.854 19.600 9.043 1.00 0.00 C ATOM 748 CD GLU A 49 -0.526 20.068 8.571 1.00 0.00 C ATOM 749 OE1 GLU A 49 -1.004 21.066 9.088 1.00 0.00 O ATOM 750 OE2 GLU A 49 -1.083 19.422 7.697 1.00 0.00 O ATOM 0 H GLU A 49 2.388 18.935 6.995 1.00 0.00 H new ATOM 0 HA GLU A 49 0.934 21.424 6.968 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.894 20.319 9.033 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.701 21.572 9.312 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.119 18.665 8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.832 19.399 10.114 1.00 0.00 H new ATOM 757 N ASP A 50 3.398 22.110 5.681 1.00 0.00 N ATOM 758 CA ASP A 50 4.476 23.076 5.314 1.00 0.00 C ATOM 759 C ASP A 50 4.213 23.630 3.915 1.00 0.00 C ATOM 760 O ASP A 50 3.876 24.786 3.745 1.00 0.00 O ATOM 761 CB ASP A 50 5.824 22.344 5.341 1.00 0.00 C ATOM 762 CG ASP A 50 6.962 23.345 5.558 1.00 0.00 C ATOM 763 OD1 ASP A 50 7.104 24.239 4.739 1.00 0.00 O ATOM 764 OD2 ASP A 50 7.671 23.201 6.540 1.00 0.00 O ATOM 0 H ASP A 50 3.018 21.569 4.904 1.00 0.00 H new ATOM 0 HA ASP A 50 4.493 23.904 6.023 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.827 21.600 6.138 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.974 21.808 4.404 1.00 0.00 H new ATOM 769 N LYS A 51 4.365 22.817 2.915 1.00 0.00 N ATOM 770 CA LYS A 51 4.125 23.296 1.531 1.00 0.00 C ATOM 771 C LYS A 51 2.641 23.677 1.384 1.00 0.00 C ATOM 772 O LYS A 51 2.054 24.233 2.291 1.00 0.00 O ATOM 773 CB LYS A 51 4.538 22.188 0.555 1.00 0.00 C ATOM 774 CG LYS A 51 3.669 20.946 0.753 1.00 0.00 C ATOM 775 CD LYS A 51 3.914 19.975 -0.401 1.00 0.00 C ATOM 776 CE LYS A 51 3.255 18.640 -0.079 1.00 0.00 C ATOM 777 NZ LYS A 51 1.773 18.807 -0.078 1.00 0.00 N ATOM 0 H LYS A 51 4.646 21.840 2.995 1.00 0.00 H new ATOM 0 HA LYS A 51 4.718 24.183 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.443 22.545 -0.470 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.587 21.933 0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.907 20.468 1.703 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.616 21.226 0.792 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.507 20.381 -1.327 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.984 19.838 -0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.547 17.891 -0.815 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.592 18.280 0.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.318 17.872 -0.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.487 19.361 0.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.479 19.304 -0.943 1.00 0.00 H new ATOM 791 N SER A 52 2.023 23.391 0.268 1.00 0.00 N ATOM 792 CA SER A 52 0.591 23.750 0.105 1.00 0.00 C ATOM 793 C SER A 52 -0.276 22.785 0.937 1.00 0.00 C ATOM 794 O SER A 52 -0.073 21.587 0.893 1.00 0.00 O ATOM 795 CB SER A 52 0.217 23.634 -1.371 1.00 0.00 C ATOM 796 OG SER A 52 -1.140 24.016 -1.547 1.00 0.00 O ATOM 0 H SER A 52 2.450 22.926 -0.533 1.00 0.00 H new ATOM 0 HA SER A 52 0.422 24.771 0.448 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.866 24.270 -1.973 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.366 22.611 -1.715 1.00 0.00 H new ATOM 0 HG SER A 52 -1.380 23.943 -2.494 1.00 0.00 H new ATOM 802 N PRO A 53 -1.235 23.285 1.694 1.00 0.00 N ATOM 803 CA PRO A 53 -2.127 22.424 2.537 1.00 0.00 C ATOM 804 C PRO A 53 -3.304 21.842 1.746 1.00 0.00 C ATOM 805 O PRO A 53 -3.954 20.914 2.180 1.00 0.00 O ATOM 806 CB PRO A 53 -2.642 23.417 3.572 1.00 0.00 C ATOM 807 CG PRO A 53 -2.813 24.662 2.778 1.00 0.00 C ATOM 808 CD PRO A 53 -1.597 24.714 1.851 1.00 0.00 C ATOM 0 HA PRO A 53 -1.605 21.559 2.945 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -3.582 23.088 4.016 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.934 23.553 4.390 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.742 24.642 2.209 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.854 25.539 3.424 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.839 25.176 0.894 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.782 25.291 2.287 1.00 0.00 H new ATOM 816 N ASP A 54 -3.588 22.400 0.599 1.00 0.00 N ATOM 817 CA ASP A 54 -4.729 21.919 -0.236 1.00 0.00 C ATOM 818 C ASP A 54 -6.052 22.440 0.343 1.00 0.00 C ATOM 819 O ASP A 54 -6.173 23.606 0.661 1.00 0.00 O ATOM 820 CB ASP A 54 -4.749 20.383 -0.308 1.00 0.00 C ATOM 821 CG ASP A 54 -3.317 19.844 -0.318 1.00 0.00 C ATOM 822 OD1 ASP A 54 -2.476 20.461 -0.949 1.00 0.00 O ATOM 823 OD2 ASP A 54 -3.087 18.820 0.305 1.00 0.00 O ATOM 0 H ASP A 54 -3.069 23.182 0.199 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.603 22.303 -1.248 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.294 19.977 0.545 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.275 20.059 -1.206 1.00 0.00 H new ATOM 828 N SER A 55 -7.053 21.603 0.471 1.00 0.00 N ATOM 829 CA SER A 55 -8.346 22.105 1.017 1.00 0.00 C ATOM 830 C SER A 55 -9.334 20.979 1.390 1.00 0.00 C ATOM 831 O SER A 55 -10.138 21.174 2.275 1.00 0.00 O ATOM 832 CB SER A 55 -9.004 23.022 -0.018 1.00 0.00 C ATOM 833 OG SER A 55 -9.703 22.232 -0.974 1.00 0.00 O ATOM 0 H SER A 55 -7.030 20.613 0.226 1.00 0.00 H new ATOM 0 HA SER A 55 -8.114 22.642 1.937 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.692 23.710 0.474 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.248 23.629 -0.515 1.00 0.00 H new ATOM 0 HG SER A 55 -10.126 22.818 -1.636 1.00 0.00 H new ATOM 839 N PRO A 56 -9.316 19.837 0.733 1.00 0.00 N ATOM 840 CA PRO A 56 -10.265 18.715 1.049 1.00 0.00 C ATOM 841 C PRO A 56 -10.218 18.272 2.514 1.00 0.00 C ATOM 842 O PRO A 56 -10.240 17.096 2.805 1.00 0.00 O ATOM 843 CB PRO A 56 -9.791 17.578 0.131 1.00 0.00 C ATOM 844 CG PRO A 56 -9.162 18.288 -1.014 1.00 0.00 C ATOM 845 CD PRO A 56 -8.426 19.463 -0.382 1.00 0.00 C ATOM 0 HA PRO A 56 -11.300 19.017 0.890 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.080 16.925 0.637 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.623 16.953 -0.194 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.477 17.636 -1.556 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.911 18.628 -1.729 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.434 19.179 -0.031 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.292 20.284 -1.087 1.00 0.00 H new ATOM 853 N GLU A 57 -10.142 19.194 3.442 1.00 0.00 N ATOM 854 CA GLU A 57 -10.077 18.795 4.873 1.00 0.00 C ATOM 855 C GLU A 57 -8.974 17.745 4.993 1.00 0.00 C ATOM 856 O GLU A 57 -8.972 16.915 5.879 1.00 0.00 O ATOM 857 CB GLU A 57 -11.435 18.211 5.300 1.00 0.00 C ATOM 858 CG GLU A 57 -11.634 18.374 6.809 1.00 0.00 C ATOM 859 CD GLU A 57 -12.852 17.562 7.248 1.00 0.00 C ATOM 860 OE1 GLU A 57 -12.681 16.396 7.562 1.00 0.00 O ATOM 861 OE2 GLU A 57 -13.938 18.119 7.256 1.00 0.00 O ATOM 0 H GLU A 57 -10.123 20.199 3.268 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.859 19.646 5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.240 18.715 4.764 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.485 17.156 5.032 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.746 18.037 7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.775 19.426 7.057 1.00 0.00 H new ATOM 868 N MET A 58 -8.060 17.776 4.055 1.00 0.00 N ATOM 869 CA MET A 58 -6.955 16.797 4.019 1.00 0.00 C ATOM 870 C MET A 58 -7.535 15.423 3.700 1.00 0.00 C ATOM 871 O MET A 58 -6.817 14.468 3.479 1.00 0.00 O ATOM 872 CB MET A 58 -6.222 16.783 5.358 1.00 0.00 C ATOM 873 CG MET A 58 -6.024 18.228 5.878 1.00 0.00 C ATOM 874 SD MET A 58 -7.137 18.548 7.272 1.00 0.00 S ATOM 875 CE MET A 58 -6.441 20.148 7.764 1.00 0.00 C ATOM 0 H MET A 58 -8.042 18.460 3.299 1.00 0.00 H new ATOM 0 HA MET A 58 -6.234 17.072 3.249 1.00 0.00 H new ATOM 0 HB2 MET A 58 -6.790 16.202 6.085 1.00 0.00 H new ATOM 0 HB3 MET A 58 -5.254 16.294 5.245 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.989 18.372 6.189 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.218 18.941 5.077 1.00 0.00 H new ATOM 0 HE1 MET A 58 -6.989 20.534 8.623 1.00 0.00 H new ATOM 0 HE2 MET A 58 -5.391 20.022 8.029 1.00 0.00 H new ATOM 0 HE3 MET A 58 -6.524 20.851 6.935 1.00 0.00 H new ATOM 885 N LYS A 59 -8.836 15.337 3.641 1.00 0.00 N ATOM 886 CA LYS A 59 -9.507 14.049 3.313 1.00 0.00 C ATOM 887 C LYS A 59 -8.836 13.439 2.091 1.00 0.00 C ATOM 888 O LYS A 59 -8.430 12.296 2.090 1.00 0.00 O ATOM 889 CB LYS A 59 -10.980 14.341 2.979 1.00 0.00 C ATOM 890 CG LYS A 59 -11.820 13.033 2.944 1.00 0.00 C ATOM 891 CD LYS A 59 -12.042 12.577 1.495 1.00 0.00 C ATOM 892 CE LYS A 59 -12.527 11.124 1.487 1.00 0.00 C ATOM 893 NZ LYS A 59 -13.726 10.988 2.364 1.00 0.00 N ATOM 0 H LYS A 59 -9.471 16.117 3.809 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.438 13.360 4.155 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.395 15.023 3.721 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.044 14.843 2.014 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.309 12.250 3.504 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.781 13.197 3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.776 13.219 1.008 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.115 12.666 0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.772 10.818 0.470 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.733 10.464 1.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.239 10.117 2.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.425 10.944 3.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.351 11.808 2.227 1.00 0.00 H new ATOM 907 N ASP A 60 -8.719 14.211 1.052 1.00 0.00 N ATOM 908 CA ASP A 60 -8.085 13.709 -0.191 1.00 0.00 C ATOM 909 C ASP A 60 -6.713 13.104 0.132 1.00 0.00 C ATOM 910 O ASP A 60 -6.235 12.235 -0.573 1.00 0.00 O ATOM 911 CB ASP A 60 -7.940 14.884 -1.160 1.00 0.00 C ATOM 912 CG ASP A 60 -7.036 14.489 -2.331 1.00 0.00 C ATOM 913 OD1 ASP A 60 -7.411 13.587 -3.064 1.00 0.00 O ATOM 914 OD2 ASP A 60 -5.986 15.091 -2.472 1.00 0.00 O ATOM 0 H ASP A 60 -9.039 15.179 1.011 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.699 12.931 -0.645 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.920 15.183 -1.531 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.520 15.745 -0.640 1.00 0.00 H new ATOM 919 N PHE A 61 -6.082 13.526 1.196 1.00 0.00 N ATOM 920 CA PHE A 61 -4.763 12.930 1.549 1.00 0.00 C ATOM 921 C PHE A 61 -5.019 11.548 2.150 1.00 0.00 C ATOM 922 O PHE A 61 -4.535 10.537 1.678 1.00 0.00 O ATOM 923 CB PHE A 61 -4.053 13.828 2.573 1.00 0.00 C ATOM 924 CG PHE A 61 -2.568 13.526 2.593 1.00 0.00 C ATOM 925 CD1 PHE A 61 -1.779 13.831 1.475 1.00 0.00 C ATOM 926 CD2 PHE A 61 -1.977 12.957 3.728 1.00 0.00 C ATOM 927 CE1 PHE A 61 -0.405 13.561 1.492 1.00 0.00 C ATOM 928 CE2 PHE A 61 -0.602 12.689 3.745 1.00 0.00 C ATOM 929 CZ PHE A 61 0.184 12.994 2.627 1.00 0.00 C ATOM 0 H PHE A 61 -6.420 14.251 1.830 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.129 12.844 0.666 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.215 14.876 2.322 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.477 13.668 3.564 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.231 14.274 0.600 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.582 12.724 4.592 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.201 13.791 0.628 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.148 12.247 4.620 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.245 12.792 2.641 1.00 0.00 H new ATOM 939 N ARG A 62 -5.799 11.516 3.192 1.00 0.00 N ATOM 940 CA ARG A 62 -6.137 10.233 3.861 1.00 0.00 C ATOM 941 C ARG A 62 -6.887 9.320 2.880 1.00 0.00 C ATOM 942 O ARG A 62 -6.743 8.112 2.908 1.00 0.00 O ATOM 943 CB ARG A 62 -7.022 10.552 5.074 1.00 0.00 C ATOM 944 CG ARG A 62 -6.312 11.592 5.990 1.00 0.00 C ATOM 945 CD ARG A 62 -7.228 12.796 6.241 1.00 0.00 C ATOM 946 NE ARG A 62 -6.556 13.738 7.180 1.00 0.00 N ATOM 947 CZ ARG A 62 -6.524 13.471 8.459 1.00 0.00 C ATOM 948 NH1 ARG A 62 -7.129 12.409 8.918 1.00 0.00 N ATOM 949 NH2 ARG A 62 -5.899 14.270 9.278 1.00 0.00 N ATOM 0 H ARG A 62 -6.224 12.341 3.615 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.232 9.718 4.184 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.983 10.944 4.741 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.227 9.640 5.635 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.043 11.127 6.939 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.384 11.924 5.524 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.452 13.300 5.301 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.178 12.464 6.659 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.122 14.590 6.825 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.626 11.789 8.279 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.105 12.200 9.916 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.434 15.105 8.921 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.875 14.060 10.276 1.00 0.00 H new ATOM 963 N HIS A 63 -7.679 9.888 2.010 1.00 0.00 N ATOM 964 CA HIS A 63 -8.435 9.060 1.023 1.00 0.00 C ATOM 965 C HIS A 63 -7.442 8.306 0.147 1.00 0.00 C ATOM 966 O HIS A 63 -7.647 7.166 -0.180 1.00 0.00 O ATOM 967 CB HIS A 63 -9.317 9.989 0.156 1.00 0.00 C ATOM 968 CG HIS A 63 -10.581 9.286 -0.270 1.00 0.00 C ATOM 969 ND1 HIS A 63 -11.139 8.261 0.473 1.00 0.00 N ATOM 970 CD2 HIS A 63 -11.419 9.469 -1.343 1.00 0.00 C ATOM 971 CE1 HIS A 63 -12.258 7.872 -0.148 1.00 0.00 C ATOM 972 NE2 HIS A 63 -12.481 8.574 -1.263 1.00 0.00 N ATOM 0 H HIS A 63 -7.836 10.893 1.940 1.00 0.00 H new ATOM 0 HA HIS A 63 -9.073 8.343 1.539 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -9.568 10.888 0.719 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -8.760 10.309 -0.724 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -11.275 10.196 -2.128 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -12.905 7.084 0.209 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -13.260 8.475 -1.914 1.00 0.00 H new ATOM 980 N GLY A 64 -6.359 8.915 -0.229 1.00 0.00 N ATOM 981 CA GLY A 64 -5.388 8.185 -1.082 1.00 0.00 C ATOM 982 C GLY A 64 -4.819 7.011 -0.289 1.00 0.00 C ATOM 983 O GLY A 64 -4.521 5.968 -0.836 1.00 0.00 O ATOM 0 H GLY A 64 -6.105 9.873 0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.877 7.827 -1.988 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.585 8.852 -1.396 1.00 0.00 H new ATOM 987 N PHE A 65 -4.694 7.157 1.004 1.00 0.00 N ATOM 988 CA PHE A 65 -4.177 6.021 1.819 1.00 0.00 C ATOM 989 C PHE A 65 -5.333 5.064 2.079 1.00 0.00 C ATOM 990 O PHE A 65 -5.189 3.862 1.996 1.00 0.00 O ATOM 991 CB PHE A 65 -3.631 6.526 3.155 1.00 0.00 C ATOM 992 CG PHE A 65 -2.294 7.189 2.930 1.00 0.00 C ATOM 993 CD1 PHE A 65 -1.169 6.412 2.623 1.00 0.00 C ATOM 994 CD2 PHE A 65 -2.183 8.575 3.015 1.00 0.00 C ATOM 995 CE1 PHE A 65 0.068 7.031 2.409 1.00 0.00 C ATOM 996 CE2 PHE A 65 -0.950 9.192 2.800 1.00 0.00 C ATOM 997 CZ PHE A 65 0.175 8.424 2.493 1.00 0.00 C ATOM 0 H PHE A 65 -4.925 8.003 1.525 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.370 5.521 1.283 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.330 7.233 3.602 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.525 5.697 3.854 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.256 5.338 2.552 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.052 9.173 3.248 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.939 6.435 2.179 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.866 10.266 2.871 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.127 8.904 2.321 1.00 0.00 H new ATOM 1007 N ASP A 66 -6.489 5.593 2.376 1.00 0.00 N ATOM 1008 CA ASP A 66 -7.663 4.717 2.622 1.00 0.00 C ATOM 1009 C ASP A 66 -8.075 4.087 1.296 1.00 0.00 C ATOM 1010 O ASP A 66 -8.316 2.899 1.210 1.00 0.00 O ATOM 1011 CB ASP A 66 -8.822 5.546 3.182 1.00 0.00 C ATOM 1012 CG ASP A 66 -9.873 4.607 3.779 1.00 0.00 C ATOM 1013 OD1 ASP A 66 -9.619 4.073 4.848 1.00 0.00 O ATOM 1014 OD2 ASP A 66 -10.907 4.431 3.157 1.00 0.00 O ATOM 0 H ASP A 66 -6.668 6.594 2.458 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.407 3.942 3.345 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.457 6.234 3.945 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.266 6.152 2.392 1.00 0.00 H new ATOM 1019 N ILE A 67 -8.137 4.871 0.253 1.00 0.00 N ATOM 1020 CA ILE A 67 -8.509 4.305 -1.070 1.00 0.00 C ATOM 1021 C ILE A 67 -7.549 3.157 -1.373 1.00 0.00 C ATOM 1022 O ILE A 67 -7.948 2.067 -1.728 1.00 0.00 O ATOM 1023 CB ILE A 67 -8.372 5.383 -2.164 1.00 0.00 C ATOM 1024 CG1 ILE A 67 -9.496 6.442 -2.019 1.00 0.00 C ATOM 1025 CG2 ILE A 67 -8.431 4.731 -3.558 1.00 0.00 C ATOM 1026 CD1 ILE A 67 -10.782 5.981 -2.723 1.00 0.00 C ATOM 0 H ILE A 67 -7.947 5.873 0.262 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.541 3.955 -1.051 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.409 5.880 -2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.699 6.620 -0.963 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.165 7.390 -2.444 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.333 5.500 -4.324 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.617 4.013 -3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.385 4.217 -3.679 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -11.554 6.742 -2.606 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.581 5.828 -3.783 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -11.124 5.046 -2.280 1.00 0.00 H new ATOM 1038 N LEU A 68 -6.278 3.412 -1.233 1.00 0.00 N ATOM 1039 CA LEU A 68 -5.269 2.357 -1.507 1.00 0.00 C ATOM 1040 C LEU A 68 -5.534 1.165 -0.587 1.00 0.00 C ATOM 1041 O LEU A 68 -5.484 0.025 -1.000 1.00 0.00 O ATOM 1042 CB LEU A 68 -3.869 2.939 -1.262 1.00 0.00 C ATOM 1043 CG LEU A 68 -2.804 1.827 -1.191 1.00 0.00 C ATOM 1044 CD1 LEU A 68 -2.877 0.917 -2.436 1.00 0.00 C ATOM 1045 CD2 LEU A 68 -1.411 2.473 -1.094 1.00 0.00 C ATOM 0 H LEU A 68 -5.895 4.311 -0.939 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.333 2.018 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.618 3.636 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.867 3.507 -0.332 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.990 1.212 -0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.116 0.140 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.863 0.456 -2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.703 1.512 -3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.651 1.693 -1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.236 3.094 -1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.358 3.090 -0.197 1.00 0.00 H new ATOM 1057 N VAL A 69 -5.840 1.414 0.652 1.00 0.00 N ATOM 1058 CA VAL A 69 -6.126 0.294 1.567 1.00 0.00 C ATOM 1059 C VAL A 69 -7.330 -0.463 1.018 1.00 0.00 C ATOM 1060 O VAL A 69 -7.574 -1.594 1.374 1.00 0.00 O ATOM 1061 CB VAL A 69 -6.455 0.853 2.956 1.00 0.00 C ATOM 1062 CG1 VAL A 69 -7.063 -0.249 3.825 1.00 0.00 C ATOM 1063 CG2 VAL A 69 -5.178 1.402 3.622 1.00 0.00 C ATOM 0 H VAL A 69 -5.903 2.345 1.065 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.267 -0.372 1.646 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.174 1.665 2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.295 0.152 4.811 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.977 -0.618 3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.351 -1.068 3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.423 1.797 4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.447 0.600 3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.760 2.198 3.006 1.00 0.00 H new ATOM 1073 N GLY A 70 -8.090 0.162 0.158 1.00 0.00 N ATOM 1074 CA GLY A 70 -9.292 -0.512 -0.408 1.00 0.00 C ATOM 1075 C GLY A 70 -8.891 -1.473 -1.532 1.00 0.00 C ATOM 1076 O GLY A 70 -9.336 -2.602 -1.569 1.00 0.00 O ATOM 0 H GLY A 70 -7.929 1.112 -0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.813 -1.060 0.378 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.988 0.234 -0.791 1.00 0.00 H new ATOM 1080 N GLN A 71 -8.051 -1.061 -2.448 1.00 0.00 N ATOM 1081 CA GLN A 71 -7.659 -2.003 -3.528 1.00 0.00 C ATOM 1082 C GLN A 71 -6.832 -3.108 -2.876 1.00 0.00 C ATOM 1083 O GLN A 71 -6.883 -4.258 -3.263 1.00 0.00 O ATOM 1084 CB GLN A 71 -6.892 -1.240 -4.636 1.00 0.00 C ATOM 1085 CG GLN A 71 -5.372 -1.278 -4.417 1.00 0.00 C ATOM 1086 CD GLN A 71 -4.798 -2.588 -4.962 1.00 0.00 C ATOM 1087 OE1 GLN A 71 -3.612 -2.690 -5.188 1.00 0.00 O ATOM 1088 NE2 GLN A 71 -5.595 -3.595 -5.194 1.00 0.00 N ATOM 0 H GLN A 71 -7.630 -0.133 -2.492 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.523 -2.453 -4.018 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.129 -1.676 -5.606 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.228 -0.204 -4.661 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.903 -0.430 -4.916 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.147 -1.187 -3.354 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.593 -3.509 -5.004 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.219 -4.468 -5.565 1.00 0.00 H new ATOM 1097 N ILE A 72 -6.124 -2.768 -1.838 1.00 0.00 N ATOM 1098 CA ILE A 72 -5.349 -3.792 -1.099 1.00 0.00 C ATOM 1099 C ILE A 72 -6.360 -4.643 -0.318 1.00 0.00 C ATOM 1100 O ILE A 72 -6.166 -5.825 -0.110 1.00 0.00 O ATOM 1101 CB ILE A 72 -4.354 -3.091 -0.149 1.00 0.00 C ATOM 1102 CG1 ILE A 72 -3.099 -2.697 -0.936 1.00 0.00 C ATOM 1103 CG2 ILE A 72 -3.950 -4.027 0.996 1.00 0.00 C ATOM 1104 CD1 ILE A 72 -2.206 -1.780 -0.095 1.00 0.00 C ATOM 0 H ILE A 72 -6.050 -1.820 -1.470 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.772 -4.427 -1.771 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.834 -2.206 0.269 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.546 -3.592 -1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.385 -2.191 -1.858 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.249 -3.515 1.654 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.836 -4.313 1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.477 -4.920 0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.319 -1.510 -0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.757 -0.877 0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.905 -2.300 0.815 1.00 0.00 H new ATOM 1116 N ASP A 73 -7.441 -4.041 0.114 1.00 0.00 N ATOM 1117 CA ASP A 73 -8.469 -4.809 0.878 1.00 0.00 C ATOM 1118 C ASP A 73 -9.070 -5.906 -0.008 1.00 0.00 C ATOM 1119 O ASP A 73 -9.131 -7.061 0.370 1.00 0.00 O ATOM 1120 CB ASP A 73 -9.587 -3.874 1.351 1.00 0.00 C ATOM 1121 CG ASP A 73 -10.611 -4.682 2.150 1.00 0.00 C ATOM 1122 OD1 ASP A 73 -10.195 -5.440 3.010 1.00 0.00 O ATOM 1123 OD2 ASP A 73 -11.794 -4.526 1.891 1.00 0.00 O ATOM 0 H ASP A 73 -7.654 -3.054 -0.030 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.988 -5.263 1.745 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.174 -3.076 1.968 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.067 -3.399 0.495 1.00 0.00 H new ATOM 1128 N ASP A 74 -9.533 -5.551 -1.182 1.00 0.00 N ATOM 1129 CA ASP A 74 -10.150 -6.571 -2.082 1.00 0.00 C ATOM 1130 C ASP A 74 -9.095 -7.599 -2.499 1.00 0.00 C ATOM 1131 O ASP A 74 -9.403 -8.736 -2.771 1.00 0.00 O ATOM 1132 CB ASP A 74 -10.766 -5.876 -3.321 1.00 0.00 C ATOM 1133 CG ASP A 74 -9.761 -5.800 -4.480 1.00 0.00 C ATOM 1134 OD1 ASP A 74 -8.924 -4.914 -4.457 1.00 0.00 O ATOM 1135 OD2 ASP A 74 -9.850 -6.633 -5.369 1.00 0.00 O ATOM 0 H ASP A 74 -9.510 -4.601 -1.554 1.00 0.00 H new ATOM 0 HA ASP A 74 -10.947 -7.091 -1.550 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.653 -6.422 -3.642 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -11.090 -4.871 -3.052 1.00 0.00 H new ATOM 1140 N ALA A 75 -7.854 -7.220 -2.556 1.00 0.00 N ATOM 1141 CA ALA A 75 -6.826 -8.210 -2.949 1.00 0.00 C ATOM 1142 C ALA A 75 -6.638 -9.179 -1.791 1.00 0.00 C ATOM 1143 O ALA A 75 -6.434 -10.361 -1.982 1.00 0.00 O ATOM 1144 CB ALA A 75 -5.507 -7.504 -3.267 1.00 0.00 C ATOM 0 H ALA A 75 -7.512 -6.281 -2.351 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.144 -8.748 -3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.759 -8.243 -3.555 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.658 -6.802 -4.087 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.162 -6.963 -2.386 1.00 0.00 H new ATOM 1150 N LEU A 76 -6.740 -8.694 -0.582 1.00 0.00 N ATOM 1151 CA LEU A 76 -6.604 -9.591 0.582 1.00 0.00 C ATOM 1152 C LEU A 76 -7.647 -10.702 0.410 1.00 0.00 C ATOM 1153 O LEU A 76 -7.437 -11.841 0.775 1.00 0.00 O ATOM 1154 CB LEU A 76 -6.873 -8.760 1.863 1.00 0.00 C ATOM 1155 CG LEU A 76 -5.855 -9.089 3.006 1.00 0.00 C ATOM 1156 CD1 LEU A 76 -5.246 -7.796 3.573 1.00 0.00 C ATOM 1157 CD2 LEU A 76 -6.564 -9.838 4.146 1.00 0.00 C ATOM 0 H LEU A 76 -6.912 -7.714 -0.359 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.610 -10.032 0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.817 -7.698 1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.886 -8.955 2.214 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.065 -9.712 2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.541 -8.043 4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.726 -7.260 2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.039 -7.166 3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.847 -10.062 4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.364 -9.216 4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.985 -10.768 3.764 1.00 0.00 H new ATOM 1169 N LYS A 77 -8.762 -10.362 -0.176 1.00 0.00 N ATOM 1170 CA LYS A 77 -9.824 -11.354 -0.424 1.00 0.00 C ATOM 1171 C LYS A 77 -9.334 -12.363 -1.462 1.00 0.00 C ATOM 1172 O LYS A 77 -9.485 -13.558 -1.303 1.00 0.00 O ATOM 1173 CB LYS A 77 -11.043 -10.617 -0.975 1.00 0.00 C ATOM 1174 CG LYS A 77 -12.249 -11.557 -0.977 1.00 0.00 C ATOM 1175 CD LYS A 77 -12.913 -11.592 0.423 1.00 0.00 C ATOM 1176 CE LYS A 77 -13.448 -13.005 0.725 1.00 0.00 C ATOM 1177 NZ LYS A 77 -14.585 -12.913 1.684 1.00 0.00 N ATOM 0 H LYS A 77 -8.978 -9.418 -0.496 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.081 -11.877 0.497 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.255 -9.737 -0.367 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.842 -10.264 -1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.974 -11.227 -1.721 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.934 -12.561 -1.262 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.189 -11.299 1.184 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.729 -10.870 0.464 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.774 -13.486 -0.197 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.654 -13.624 1.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.946 -13.867 1.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.259 -12.470 2.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.345 -12.337 1.268 1.00 0.00 H new ATOM 1191 N LEU A 78 -8.746 -11.887 -2.527 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.247 -12.815 -3.577 1.00 0.00 C ATOM 1193 C LEU A 78 -7.244 -13.760 -2.921 1.00 0.00 C ATOM 1194 O LEU A 78 -7.151 -14.926 -3.257 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.587 -11.985 -4.698 1.00 0.00 C ATOM 1196 CG LEU A 78 -8.601 -11.733 -5.822 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -9.816 -10.979 -5.267 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -7.940 -10.888 -6.918 1.00 0.00 C ATOM 0 H LEU A 78 -8.591 -10.896 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.054 -13.400 -4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.230 -11.036 -4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.718 -12.513 -5.091 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.927 -12.688 -6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.532 -10.803 -6.069 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.287 -11.574 -4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.493 -10.024 -4.853 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.656 -10.706 -7.719 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.616 -9.936 -6.498 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.077 -11.421 -7.317 1.00 0.00 H new ATOM 1210 N ALA A 79 -6.523 -13.272 -1.959 1.00 0.00 N ATOM 1211 CA ALA A 79 -5.556 -14.133 -1.239 1.00 0.00 C ATOM 1212 C ALA A 79 -6.327 -15.234 -0.510 1.00 0.00 C ATOM 1213 O ALA A 79 -6.010 -16.402 -0.606 1.00 0.00 O ATOM 1214 CB ALA A 79 -4.794 -13.285 -0.214 1.00 0.00 C ATOM 0 H ALA A 79 -6.563 -12.305 -1.638 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.851 -14.575 -1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.081 -13.913 0.319 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.260 -12.486 -0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.499 -12.853 0.496 1.00 0.00 H new ATOM 1220 N ASN A 80 -7.328 -14.856 0.235 1.00 0.00 N ATOM 1221 CA ASN A 80 -8.119 -15.860 1.000 1.00 0.00 C ATOM 1222 C ASN A 80 -9.050 -16.666 0.074 1.00 0.00 C ATOM 1223 O ASN A 80 -9.616 -17.661 0.484 1.00 0.00 O ATOM 1224 CB ASN A 80 -8.940 -15.135 2.081 1.00 0.00 C ATOM 1225 CG ASN A 80 -9.056 -16.041 3.305 1.00 0.00 C ATOM 1226 OD1 ASN A 80 -10.141 -16.412 3.709 1.00 0.00 O ATOM 1227 ND2 ASN A 80 -7.964 -16.413 3.911 1.00 0.00 N ATOM 0 H ASN A 80 -7.634 -13.889 0.347 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.431 -16.565 1.467 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.459 -14.195 2.352 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.931 -14.888 1.700 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.016 -17.019 4.730 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.057 -16.098 3.567 1.00 0.00 H new ATOM 1234 N GLU A 81 -9.241 -16.247 -1.154 1.00 0.00 N ATOM 1235 CA GLU A 81 -10.166 -17.003 -2.065 1.00 0.00 C ATOM 1236 C GLU A 81 -9.382 -18.018 -2.906 1.00 0.00 C ATOM 1237 O GLU A 81 -9.964 -18.861 -3.558 1.00 0.00 O ATOM 1238 CB GLU A 81 -10.882 -16.018 -3.003 1.00 0.00 C ATOM 1239 CG GLU A 81 -12.078 -15.395 -2.286 1.00 0.00 C ATOM 1240 CD GLU A 81 -12.810 -14.449 -3.239 1.00 0.00 C ATOM 1241 OE1 GLU A 81 -12.144 -13.639 -3.862 1.00 0.00 O ATOM 1242 OE2 GLU A 81 -14.021 -14.553 -3.331 1.00 0.00 O ATOM 0 H GLU A 81 -8.802 -15.423 -1.564 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.896 -17.535 -1.455 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.191 -15.238 -3.322 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -11.215 -16.536 -3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.755 -16.176 -1.941 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.743 -14.851 -1.403 1.00 0.00 H new ATOM 1249 N GLY A 82 -8.077 -17.957 -2.899 1.00 0.00 N ATOM 1250 CA GLY A 82 -7.279 -18.939 -3.700 1.00 0.00 C ATOM 1251 C GLY A 82 -6.834 -18.311 -5.022 1.00 0.00 C ATOM 1252 O GLY A 82 -6.333 -18.991 -5.896 1.00 0.00 O ATOM 0 H GLY A 82 -7.528 -17.274 -2.377 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.407 -19.259 -3.130 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.876 -19.829 -3.896 1.00 0.00 H new ATOM 1256 N LYS A 83 -6.989 -17.020 -5.175 1.00 0.00 N ATOM 1257 CA LYS A 83 -6.548 -16.358 -6.445 1.00 0.00 C ATOM 1258 C LYS A 83 -5.142 -15.788 -6.227 1.00 0.00 C ATOM 1259 O LYS A 83 -4.961 -14.640 -5.875 1.00 0.00 O ATOM 1260 CB LYS A 83 -7.515 -15.240 -6.841 1.00 0.00 C ATOM 1261 CG LYS A 83 -8.957 -15.663 -6.585 1.00 0.00 C ATOM 1262 CD LYS A 83 -9.247 -16.994 -7.303 1.00 0.00 C ATOM 1263 CE LYS A 83 -10.755 -17.140 -7.538 1.00 0.00 C ATOM 1264 NZ LYS A 83 -11.245 -15.975 -8.333 1.00 0.00 N ATOM 0 H LYS A 83 -7.400 -16.396 -4.480 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.538 -17.089 -7.254 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.289 -14.338 -6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.384 -14.995 -7.895 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.129 -15.772 -5.514 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.640 -14.892 -6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.717 -17.027 -8.255 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.881 -17.828 -6.704 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.964 -18.070 -8.067 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.280 -17.191 -6.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.954 -16.298 -9.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.676 -15.276 -7.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.447 -15.538 -8.837 1.00 0.00 H new ATOM 1278 N VAL A 84 -4.159 -16.614 -6.414 1.00 0.00 N ATOM 1279 CA VAL A 84 -2.739 -16.199 -6.210 1.00 0.00 C ATOM 1280 C VAL A 84 -2.255 -15.364 -7.400 1.00 0.00 C ATOM 1281 O VAL A 84 -1.858 -14.227 -7.241 1.00 0.00 O ATOM 1282 CB VAL A 84 -1.868 -17.455 -6.056 1.00 0.00 C ATOM 1283 CG1 VAL A 84 -0.436 -17.056 -5.695 1.00 0.00 C ATOM 1284 CG2 VAL A 84 -2.443 -18.329 -4.940 1.00 0.00 C ATOM 0 H VAL A 84 -4.277 -17.584 -6.707 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.664 -15.589 -5.310 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.861 -18.006 -6.996 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.175 -17.952 -5.588 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.023 -16.428 -6.484 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.438 -16.503 -4.755 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.830 -19.223 -4.825 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.447 -17.769 -4.005 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.463 -18.619 -5.194 1.00 0.00 H new ATOM 1294 N LYS A 85 -2.277 -15.903 -8.587 1.00 0.00 N ATOM 1295 CA LYS A 85 -1.813 -15.110 -9.755 1.00 0.00 C ATOM 1296 C LYS A 85 -2.585 -13.792 -9.807 1.00 0.00 C ATOM 1297 O LYS A 85 -2.035 -12.757 -10.125 1.00 0.00 O ATOM 1298 CB LYS A 85 -2.039 -15.906 -11.050 1.00 0.00 C ATOM 1299 CG LYS A 85 -1.033 -17.080 -11.148 1.00 0.00 C ATOM 1300 CD LYS A 85 -1.632 -18.355 -10.544 1.00 0.00 C ATOM 1301 CE LYS A 85 -0.630 -19.499 -10.693 1.00 0.00 C ATOM 1302 NZ LYS A 85 -1.306 -20.795 -10.412 1.00 0.00 N ATOM 0 H LYS A 85 -2.593 -16.850 -8.796 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.748 -14.901 -9.655 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.059 -16.290 -11.074 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.925 -15.249 -11.912 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.770 -17.254 -12.191 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.112 -16.821 -10.626 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.868 -18.197 -9.492 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.566 -18.606 -11.046 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.216 -19.504 -11.701 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.205 -19.356 -10.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.623 -21.572 -10.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.680 -20.788 -9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.088 -20.931 -11.084 1.00 0.00 H new ATOM 1316 N GLU A 86 -3.846 -13.806 -9.470 1.00 0.00 N ATOM 1317 CA GLU A 86 -4.615 -12.532 -9.477 1.00 0.00 C ATOM 1318 C GLU A 86 -4.054 -11.647 -8.379 1.00 0.00 C ATOM 1319 O GLU A 86 -3.865 -10.459 -8.552 1.00 0.00 O ATOM 1320 CB GLU A 86 -6.095 -12.782 -9.193 1.00 0.00 C ATOM 1321 CG GLU A 86 -6.665 -13.780 -10.212 1.00 0.00 C ATOM 1322 CD GLU A 86 -8.194 -13.705 -10.194 1.00 0.00 C ATOM 1323 OE1 GLU A 86 -8.719 -12.684 -10.603 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -8.810 -14.669 -9.771 1.00 0.00 O ATOM 0 H GLU A 86 -4.371 -14.635 -9.193 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.527 -12.064 -10.457 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.219 -13.171 -8.182 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.647 -11.843 -9.243 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -6.290 -13.552 -11.210 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.336 -14.791 -9.971 1.00 0.00 H new ATOM 1331 N ALA A 87 -3.787 -12.223 -7.238 1.00 0.00 N ATOM 1332 CA ALA A 87 -3.239 -11.411 -6.122 1.00 0.00 C ATOM 1333 C ALA A 87 -1.845 -10.921 -6.508 1.00 0.00 C ATOM 1334 O ALA A 87 -1.525 -9.754 -6.397 1.00 0.00 O ATOM 1335 CB ALA A 87 -3.157 -12.265 -4.856 1.00 0.00 C ATOM 0 H ALA A 87 -3.924 -13.213 -7.034 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.889 -10.557 -5.930 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.754 -11.666 -4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.153 -12.618 -4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.505 -13.120 -5.035 1.00 0.00 H new ATOM 1341 N GLN A 88 -1.023 -11.813 -6.971 1.00 0.00 N ATOM 1342 CA GLN A 88 0.352 -11.450 -7.389 1.00 0.00 C ATOM 1343 C GLN A 88 0.264 -10.438 -8.547 1.00 0.00 C ATOM 1344 O GLN A 88 0.907 -9.400 -8.539 1.00 0.00 O ATOM 1345 CB GLN A 88 1.069 -12.778 -7.774 1.00 0.00 C ATOM 1346 CG GLN A 88 1.531 -12.806 -9.234 1.00 0.00 C ATOM 1347 CD GLN A 88 2.448 -14.011 -9.456 1.00 0.00 C ATOM 1348 OE1 GLN A 88 3.534 -13.870 -9.983 1.00 0.00 O ATOM 1349 NE2 GLN A 88 2.056 -15.198 -9.079 1.00 0.00 N ATOM 0 H GLN A 88 -1.252 -12.801 -7.079 1.00 0.00 H new ATOM 0 HA GLN A 88 0.929 -10.966 -6.601 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.931 -12.921 -7.123 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.393 -13.614 -7.596 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.669 -12.864 -9.898 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.059 -11.884 -9.477 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.145 -15.318 -8.637 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.661 -16.006 -9.227 1.00 0.00 H new ATOM 1358 N ALA A 89 -0.535 -10.723 -9.533 1.00 0.00 N ATOM 1359 CA ALA A 89 -0.670 -9.776 -10.672 1.00 0.00 C ATOM 1360 C ALA A 89 -1.047 -8.402 -10.116 1.00 0.00 C ATOM 1361 O ALA A 89 -0.643 -7.375 -10.628 1.00 0.00 O ATOM 1362 CB ALA A 89 -1.769 -10.268 -11.614 1.00 0.00 C ATOM 0 H ALA A 89 -1.100 -11.569 -9.600 1.00 0.00 H new ATOM 0 HA ALA A 89 0.268 -9.711 -11.223 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -1.869 -9.575 -12.449 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.509 -11.257 -11.992 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.714 -10.324 -11.073 1.00 0.00 H new ATOM 1368 N ALA A 90 -1.796 -8.373 -9.046 1.00 0.00 N ATOM 1369 CA ALA A 90 -2.166 -7.068 -8.444 1.00 0.00 C ATOM 1370 C ALA A 90 -0.888 -6.426 -7.905 1.00 0.00 C ATOM 1371 O ALA A 90 -0.726 -5.224 -7.922 1.00 0.00 O ATOM 1372 CB ALA A 90 -3.161 -7.288 -7.300 1.00 0.00 C ATOM 0 H ALA A 90 -2.164 -9.195 -8.567 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.633 -6.422 -9.187 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.429 -6.327 -6.861 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.057 -7.774 -7.686 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.705 -7.920 -6.538 1.00 0.00 H new ATOM 1378 N ALA A 91 0.037 -7.226 -7.442 1.00 0.00 N ATOM 1379 CA ALA A 91 1.316 -6.662 -6.917 1.00 0.00 C ATOM 1380 C ALA A 91 1.845 -5.659 -7.935 1.00 0.00 C ATOM 1381 O ALA A 91 2.142 -4.528 -7.610 1.00 0.00 O ATOM 1382 CB ALA A 91 2.344 -7.780 -6.721 1.00 0.00 C ATOM 0 H ALA A 91 -0.037 -8.243 -7.405 1.00 0.00 H new ATOM 0 HA ALA A 91 1.142 -6.178 -5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 91 3.273 -7.357 -6.338 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.957 -8.510 -6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.535 -8.270 -7.676 1.00 0.00 H new ATOM 1388 N GLU A 92 1.923 -6.054 -9.176 1.00 0.00 N ATOM 1389 CA GLU A 92 2.393 -5.103 -10.215 1.00 0.00 C ATOM 1390 C GLU A 92 1.429 -3.914 -10.246 1.00 0.00 C ATOM 1391 O GLU A 92 1.808 -2.805 -10.567 1.00 0.00 O ATOM 1392 CB GLU A 92 2.410 -5.789 -11.588 1.00 0.00 C ATOM 1393 CG GLU A 92 3.433 -6.945 -11.595 1.00 0.00 C ATOM 1394 CD GLU A 92 2.757 -8.250 -11.154 1.00 0.00 C ATOM 1395 OE1 GLU A 92 1.873 -8.182 -10.319 1.00 0.00 O ATOM 1396 OE2 GLU A 92 3.135 -9.292 -11.665 1.00 0.00 O ATOM 0 H GLU A 92 1.683 -6.987 -9.511 1.00 0.00 H new ATOM 0 HA GLU A 92 3.404 -4.767 -9.983 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.417 -6.171 -11.824 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.664 -5.064 -12.361 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.853 -7.063 -12.594 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.262 -6.712 -10.927 1.00 0.00 H new ATOM 1403 N GLN A 93 0.187 -4.125 -9.882 1.00 0.00 N ATOM 1404 CA GLN A 93 -0.776 -2.993 -9.862 1.00 0.00 C ATOM 1405 C GLN A 93 -0.432 -2.140 -8.646 1.00 0.00 C ATOM 1406 O GLN A 93 -0.448 -0.926 -8.696 1.00 0.00 O ATOM 1407 CB GLN A 93 -2.216 -3.540 -9.740 1.00 0.00 C ATOM 1408 CG GLN A 93 -3.273 -2.462 -10.110 1.00 0.00 C ATOM 1409 CD GLN A 93 -3.856 -1.811 -8.844 1.00 0.00 C ATOM 1410 OE1 GLN A 93 -5.050 -1.600 -8.751 1.00 0.00 O ATOM 1411 NE2 GLN A 93 -3.064 -1.489 -7.857 1.00 0.00 N ATOM 0 H GLN A 93 -0.194 -5.028 -9.601 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.714 -2.404 -10.777 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -2.334 -4.404 -10.393 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -2.389 -3.885 -8.721 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.815 -1.699 -10.739 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.074 -2.917 -10.692 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.062 -1.664 -7.930 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -3.448 -1.063 -7.013 1.00 0.00 H new ATOM 1420 N LEU A 94 -0.107 -2.779 -7.550 1.00 0.00 N ATOM 1421 CA LEU A 94 0.259 -2.023 -6.321 1.00 0.00 C ATOM 1422 C LEU A 94 1.542 -1.235 -6.617 1.00 0.00 C ATOM 1423 O LEU A 94 1.682 -0.081 -6.268 1.00 0.00 O ATOM 1424 CB LEU A 94 0.500 -3.005 -5.161 1.00 0.00 C ATOM 1425 CG LEU A 94 -0.829 -3.417 -4.498 1.00 0.00 C ATOM 1426 CD1 LEU A 94 -1.592 -4.378 -5.409 1.00 0.00 C ATOM 1427 CD2 LEU A 94 -0.535 -4.133 -3.175 1.00 0.00 C ATOM 0 H LEU A 94 -0.080 -3.794 -7.457 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.544 -1.343 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.015 -3.891 -5.532 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.152 -2.544 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.427 -2.523 -4.322 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.530 -4.664 -4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.803 -3.888 -6.360 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.989 -5.268 -5.586 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.473 -4.426 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.067 -5.021 -3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.011 -3.462 -2.512 1.00 0.00 H new ATOM 1439 N LYS A 95 2.477 -1.850 -7.287 1.00 0.00 N ATOM 1440 CA LYS A 95 3.738 -1.137 -7.640 1.00 0.00 C ATOM 1441 C LYS A 95 3.373 0.108 -8.460 1.00 0.00 C ATOM 1442 O LYS A 95 3.880 1.199 -8.244 1.00 0.00 O ATOM 1443 CB LYS A 95 4.626 -2.073 -8.476 1.00 0.00 C ATOM 1444 CG LYS A 95 5.090 -3.276 -7.620 1.00 0.00 C ATOM 1445 CD LYS A 95 6.504 -3.716 -8.030 1.00 0.00 C ATOM 1446 CE LYS A 95 7.536 -2.629 -7.667 1.00 0.00 C ATOM 1447 NZ LYS A 95 8.795 -3.287 -7.215 1.00 0.00 N ATOM 0 H LYS A 95 2.423 -2.817 -7.606 1.00 0.00 H new ATOM 0 HA LYS A 95 4.279 -0.842 -6.741 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.074 -2.428 -9.346 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.493 -1.527 -8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 95 5.079 -3.004 -6.564 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.395 -4.106 -7.742 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.760 -4.650 -7.529 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.534 -3.910 -9.102 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.732 -1.993 -8.530 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.144 -1.985 -6.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.497 -2.561 -6.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.599 -3.876 -6.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.169 -3.884 -7.980 1.00 0.00 H new ATOM 1461 N THR A 96 2.483 -0.048 -9.400 1.00 0.00 N ATOM 1462 CA THR A 96 2.067 1.112 -10.236 1.00 0.00 C ATOM 1463 C THR A 96 1.317 2.114 -9.366 1.00 0.00 C ATOM 1464 O THR A 96 1.337 3.302 -9.621 1.00 0.00 O ATOM 1465 CB THR A 96 1.160 0.619 -11.368 1.00 0.00 C ATOM 1466 OG1 THR A 96 1.790 -0.467 -12.035 1.00 0.00 O ATOM 1467 CG2 THR A 96 0.905 1.751 -12.364 1.00 0.00 C ATOM 0 H THR A 96 2.025 -0.931 -9.626 1.00 0.00 H new ATOM 0 HA THR A 96 2.945 1.596 -10.665 1.00 0.00 H new ATOM 0 HB THR A 96 0.208 0.292 -10.950 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.667 -1.287 -11.513 1.00 0.00 H new ATOM 0 HG21 THR A 96 0.259 1.392 -13.165 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.421 2.583 -11.853 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.853 2.086 -12.785 1.00 0.00 H new ATOM 1475 N THR A 97 0.679 1.663 -8.321 1.00 0.00 N ATOM 1476 CA THR A 97 -0.025 2.631 -7.447 1.00 0.00 C ATOM 1477 C THR A 97 1.046 3.561 -6.882 1.00 0.00 C ATOM 1478 O THR A 97 0.856 4.757 -6.773 1.00 0.00 O ATOM 1479 CB THR A 97 -0.768 1.896 -6.309 1.00 0.00 C ATOM 1480 OG1 THR A 97 -2.142 1.779 -6.649 1.00 0.00 O ATOM 1481 CG2 THR A 97 -0.644 2.660 -4.981 1.00 0.00 C ATOM 0 H THR A 97 0.617 0.684 -8.041 1.00 0.00 H new ATOM 0 HA THR A 97 -0.775 3.192 -8.005 1.00 0.00 H new ATOM 0 HB THR A 97 -0.319 0.911 -6.185 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.618 1.312 -5.931 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.177 2.119 -4.199 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.408 2.749 -4.709 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.075 3.655 -5.092 1.00 0.00 H new ATOM 1489 N ILE A 98 2.182 3.011 -6.518 1.00 0.00 N ATOM 1490 CA ILE A 98 3.263 3.858 -5.961 1.00 0.00 C ATOM 1491 C ILE A 98 3.465 5.032 -6.897 1.00 0.00 C ATOM 1492 O ILE A 98 3.664 6.154 -6.478 1.00 0.00 O ATOM 1493 CB ILE A 98 4.574 3.082 -5.873 1.00 0.00 C ATOM 1494 CG1 ILE A 98 4.389 1.844 -4.976 1.00 0.00 C ATOM 1495 CG2 ILE A 98 5.651 4.010 -5.291 1.00 0.00 C ATOM 1496 CD1 ILE A 98 5.685 1.015 -4.919 1.00 0.00 C ATOM 0 H ILE A 98 2.398 2.016 -6.586 1.00 0.00 H new ATOM 0 HA ILE A 98 2.982 4.184 -4.960 1.00 0.00 H new ATOM 0 HB ILE A 98 4.879 2.744 -6.863 1.00 0.00 H new ATOM 0 HG12 ILE A 98 4.107 2.156 -3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 98 3.575 1.229 -5.359 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.596 3.471 -5.221 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.775 4.876 -5.941 1.00 0.00 H new ATOM 0 HG23 ILE A 98 5.348 4.342 -4.298 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.533 0.145 -4.280 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.951 0.685 -5.923 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.491 1.627 -4.513 1.00 0.00 H new ATOM 1508 N ARG A 99 3.401 4.790 -8.175 1.00 0.00 N ATOM 1509 CA ARG A 99 3.577 5.922 -9.114 1.00 0.00 C ATOM 1510 C ARG A 99 2.533 6.990 -8.771 1.00 0.00 C ATOM 1511 O ARG A 99 2.819 8.173 -8.712 1.00 0.00 O ATOM 1512 CB ARG A 99 3.378 5.457 -10.558 1.00 0.00 C ATOM 1513 CG ARG A 99 3.976 6.508 -11.510 1.00 0.00 C ATOM 1514 CD ARG A 99 5.523 6.462 -11.489 1.00 0.00 C ATOM 1515 NE ARG A 99 6.025 6.313 -12.884 1.00 0.00 N ATOM 1516 CZ ARG A 99 5.931 7.309 -13.722 1.00 0.00 C ATOM 1517 NH1 ARG A 99 5.397 8.438 -13.342 1.00 0.00 N ATOM 1518 NH2 ARG A 99 6.382 7.175 -14.939 1.00 0.00 N ATOM 0 H ARG A 99 3.238 3.877 -8.600 1.00 0.00 H new ATOM 0 HA ARG A 99 4.586 6.325 -9.021 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.860 4.492 -10.712 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.317 5.320 -10.767 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.617 6.331 -12.524 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.635 7.502 -11.220 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.920 7.373 -11.042 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.866 5.629 -10.875 1.00 0.00 H new ATOM 0 HE ARG A 99 6.442 5.432 -13.184 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.052 8.543 -12.388 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.325 9.215 -13.999 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.806 6.295 -15.232 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.311 7.951 -15.598 1.00 0.00 H new ATOM 1532 N ALA A 100 1.318 6.568 -8.532 1.00 0.00 N ATOM 1533 CA ALA A 100 0.244 7.535 -8.176 1.00 0.00 C ATOM 1534 C ALA A 100 0.564 8.170 -6.824 1.00 0.00 C ATOM 1535 O ALA A 100 0.180 9.282 -6.533 1.00 0.00 O ATOM 1536 CB ALA A 100 -1.094 6.800 -8.087 1.00 0.00 C ATOM 0 H ALA A 100 1.025 5.592 -8.569 1.00 0.00 H new ATOM 0 HA ALA A 100 0.183 8.310 -8.940 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.881 7.507 -7.826 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -1.322 6.342 -9.049 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -1.034 6.026 -7.322 1.00 0.00 H new ATOM 1542 N TYR A 101 1.276 7.484 -5.989 1.00 0.00 N ATOM 1543 CA TYR A 101 1.607 8.083 -4.679 1.00 0.00 C ATOM 1544 C TYR A 101 2.635 9.192 -4.918 1.00 0.00 C ATOM 1545 O TYR A 101 2.726 10.144 -4.174 1.00 0.00 O ATOM 1546 CB TYR A 101 2.179 6.999 -3.760 1.00 0.00 C ATOM 1547 CG TYR A 101 2.959 7.617 -2.630 1.00 0.00 C ATOM 1548 CD1 TYR A 101 2.322 7.981 -1.442 1.00 0.00 C ATOM 1549 CD2 TYR A 101 4.329 7.819 -2.786 1.00 0.00 C ATOM 1550 CE1 TYR A 101 3.062 8.559 -0.405 1.00 0.00 C ATOM 1551 CE2 TYR A 101 5.072 8.397 -1.753 1.00 0.00 C ATOM 1552 CZ TYR A 101 4.439 8.765 -0.558 1.00 0.00 C ATOM 1553 OH TYR A 101 5.169 9.335 0.466 1.00 0.00 O ATOM 0 H TYR A 101 1.640 6.545 -6.153 1.00 0.00 H new ATOM 0 HA TYR A 101 0.721 8.502 -4.202 1.00 0.00 H new ATOM 0 HB2 TYR A 101 1.369 6.390 -3.359 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.825 6.333 -4.333 1.00 0.00 H new ATOM 0 HD1 TYR A 101 1.261 7.817 -1.324 1.00 0.00 H new ATOM 0 HD2 TYR A 101 4.816 7.529 -3.705 1.00 0.00 H new ATOM 0 HE1 TYR A 101 2.572 8.846 0.513 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.133 8.560 -1.875 1.00 0.00 H new ATOM 0 HH TYR A 101 5.867 8.712 0.756 1.00 0.00 H new ATOM 1563 N ASN A 102 3.417 9.069 -5.952 1.00 0.00 N ATOM 1564 CA ASN A 102 4.436 10.117 -6.220 1.00 0.00 C ATOM 1565 C ASN A 102 3.755 11.429 -6.610 1.00 0.00 C ATOM 1566 O ASN A 102 4.153 12.481 -6.145 1.00 0.00 O ATOM 1567 CB ASN A 102 5.421 9.637 -7.288 1.00 0.00 C ATOM 1568 CG ASN A 102 6.176 10.807 -7.949 1.00 0.00 C ATOM 1569 OD1 ASN A 102 6.789 10.630 -8.984 1.00 0.00 O ATOM 1570 ND2 ASN A 102 6.169 11.994 -7.401 1.00 0.00 N ATOM 0 H ASN A 102 3.395 8.296 -6.617 1.00 0.00 H new ATOM 0 HA ASN A 102 5.009 10.306 -5.312 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.139 8.952 -6.837 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.882 9.076 -8.052 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.675 12.762 -7.842 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.657 12.152 -6.533 1.00 0.00 H new ATOM 1577 N GLN A 103 2.726 11.417 -7.423 1.00 0.00 N ATOM 1578 CA GLN A 103 2.093 12.733 -7.735 1.00 0.00 C ATOM 1579 C GLN A 103 1.581 13.260 -6.405 1.00 0.00 C ATOM 1580 O GLN A 103 1.410 14.447 -6.199 1.00 0.00 O ATOM 1581 CB GLN A 103 0.935 12.624 -8.763 1.00 0.00 C ATOM 1582 CG GLN A 103 0.104 11.344 -8.576 1.00 0.00 C ATOM 1583 CD GLN A 103 -0.889 11.504 -7.413 1.00 0.00 C ATOM 1584 OE1 GLN A 103 -1.636 10.594 -7.116 1.00 0.00 O ATOM 1585 NE2 GLN A 103 -0.952 12.629 -6.757 1.00 0.00 N ATOM 0 H GLN A 103 2.314 10.595 -7.865 1.00 0.00 H new ATOM 0 HA GLN A 103 2.819 13.399 -8.200 1.00 0.00 H new ATOM 0 HB2 GLN A 103 0.285 13.493 -8.667 1.00 0.00 H new ATOM 0 HB3 GLN A 103 1.346 12.643 -9.772 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.438 11.119 -9.495 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.766 10.500 -8.382 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.327 13.397 -7.001 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -1.626 12.741 -5.999 1.00 0.00 H new ATOM 1594 N LYS A 104 1.389 12.359 -5.479 1.00 0.00 N ATOM 1595 CA LYS A 104 0.948 12.754 -4.115 1.00 0.00 C ATOM 1596 C LYS A 104 2.195 13.145 -3.299 1.00 0.00 C ATOM 1597 O LYS A 104 2.142 14.031 -2.470 1.00 0.00 O ATOM 1598 CB LYS A 104 0.174 11.572 -3.471 1.00 0.00 C ATOM 1599 CG LYS A 104 0.727 11.202 -2.094 1.00 0.00 C ATOM 1600 CD LYS A 104 -0.195 10.183 -1.436 1.00 0.00 C ATOM 1601 CE LYS A 104 -1.562 10.819 -1.101 1.00 0.00 C ATOM 1602 NZ LYS A 104 -2.073 10.244 0.172 1.00 0.00 N ATOM 0 H LYS A 104 1.521 11.357 -5.613 1.00 0.00 H new ATOM 0 HA LYS A 104 0.275 13.611 -4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.879 11.837 -3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 104 0.228 10.704 -4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.731 10.790 -2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 104 0.807 12.093 -1.471 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.338 9.332 -2.101 1.00 0.00 H new ATOM 0 HD3 LYS A 104 0.267 9.802 -0.525 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.460 11.900 -1.010 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.270 10.632 -1.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -2.790 10.879 0.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.499 9.314 -0.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.287 10.137 0.845 1.00 0.00 H new ATOM 1616 N TYR A 105 3.316 12.488 -3.517 1.00 0.00 N ATOM 1617 CA TYR A 105 4.544 12.835 -2.737 1.00 0.00 C ATOM 1618 C TYR A 105 5.307 13.947 -3.473 1.00 0.00 C ATOM 1619 O TYR A 105 6.411 14.303 -3.112 1.00 0.00 O ATOM 1620 CB TYR A 105 5.402 11.550 -2.504 1.00 0.00 C ATOM 1621 CG TYR A 105 6.843 11.721 -2.955 1.00 0.00 C ATOM 1622 CD1 TYR A 105 7.115 11.987 -4.295 1.00 0.00 C ATOM 1623 CD2 TYR A 105 7.896 11.596 -2.038 1.00 0.00 C ATOM 1624 CE1 TYR A 105 8.438 12.130 -4.732 1.00 0.00 C ATOM 1625 CE2 TYR A 105 9.221 11.741 -2.470 1.00 0.00 C ATOM 1626 CZ TYR A 105 9.492 12.011 -3.817 1.00 0.00 C ATOM 1627 OH TYR A 105 10.798 12.152 -4.245 1.00 0.00 O ATOM 0 H TYR A 105 3.429 11.735 -4.195 1.00 0.00 H new ATOM 0 HA TYR A 105 4.284 13.218 -1.750 1.00 0.00 H new ATOM 0 HB2 TYR A 105 5.385 11.293 -1.445 1.00 0.00 H new ATOM 0 HB3 TYR A 105 4.953 10.715 -3.042 1.00 0.00 H new ATOM 0 HD1 TYR A 105 6.302 12.083 -5.000 1.00 0.00 H new ATOM 0 HD2 TYR A 105 7.686 11.388 -0.999 1.00 0.00 H new ATOM 0 HE1 TYR A 105 8.645 12.332 -5.773 1.00 0.00 H new ATOM 0 HE2 TYR A 105 10.033 11.645 -1.764 1.00 0.00 H new ATOM 0 HH TYR A 105 11.405 12.041 -3.484 1.00 0.00 H new ATOM 1637 N GLY A 106 4.721 14.503 -4.500 1.00 0.00 N ATOM 1638 CA GLY A 106 5.406 15.590 -5.256 1.00 0.00 C ATOM 1639 C GLY A 106 4.364 16.443 -5.979 1.00 0.00 C ATOM 1640 O GLY A 106 3.640 17.155 -5.304 1.00 0.00 O ATOM 1641 OXT GLY A 106 4.309 16.367 -7.195 1.00 0.00 O ATOM 0 H GLY A 106 3.796 14.250 -4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 106 5.989 16.209 -4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.104 15.163 -5.976 1.00 0.00 H new TER 1645 GLY A 106